USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=9 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 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -2.26 K(o=-2.3,f=-1.1) USER MOD Single : A 572 GLN : amide:sc= -0.959 K(o=-0.96,f=-0.035) USER MOD Single : A 575 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.0063) USER MOD Single : A 583 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 588 GLN : amide:sc= -0.697 K(o=-0.7,f=-1.6!) USER MOD Single : A 589 THR OG1 : rot 95:sc= 0.182 USER MOD Single : A 590 GLN : amide:sc= -0.607 K(o=-0.61,f=-1.3) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot -170:sc= -0.0882 USER MOD Single : A 599 GLN : amide:sc=-0.00356 K(o=-0.0036,f=-2.9!) USER MOD Single : A 601 HIS : no HD1:sc= -1.95! C(o=-2!,f=-2.9!) USER MOD Single : A 603 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 604 THR OG1 : rot 180:sc= -0.525 USER MOD Single : A 605 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.66) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 MET CE :methyl 165:sc= -0.515 (180deg=-0.811) USER MOD Single : A 616 GLN : amide:sc= -0.0764 K(o=-0.076,f=-0.82) USER MOD Single : A 620 GLN : amide:sc= -0.96 K(o=-0.96,f=-0.091) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ -176:sc= 1.26 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -22.873 0.450 -3.539 1.00 0.00 N ATOM 199 CA SER A 563 -22.975 1.217 -4.761 1.00 0.00 C ATOM 200 C SER A 563 -21.930 0.687 -5.738 1.00 0.00 C ATOM 201 O SER A 563 -20.896 0.190 -5.287 1.00 0.00 O ATOM 202 CB SER A 563 -22.746 2.703 -4.468 1.00 0.00 C ATOM 203 OG SER A 563 -23.107 3.505 -5.577 1.00 0.00 O ATOM 0 HA SER A 563 -23.969 1.115 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.330 2.999 -3.597 1.00 0.00 H new ATOM 0 HB3 SER A 563 -21.698 2.870 -4.221 1.00 0.00 H new ATOM 0 HG SER A 563 -22.953 4.449 -5.362 1.00 0.00 H new ATOM 209 N TYR A 564 -22.175 0.753 -7.044 1.00 0.00 N ATOM 210 CA TYR A 564 -21.263 0.126 -8.007 1.00 0.00 C ATOM 211 C TYR A 564 -19.828 0.603 -7.811 1.00 0.00 C ATOM 212 O TYR A 564 -18.886 -0.183 -7.942 1.00 0.00 O ATOM 213 CB TYR A 564 -21.693 0.371 -9.453 1.00 0.00 C ATOM 214 CG TYR A 564 -20.862 -0.422 -10.440 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.210 -1.724 -10.777 1.00 0.00 C ATOM 216 CD2 TYR A 564 -19.712 0.115 -11.004 1.00 0.00 C ATOM 217 CE1 TYR A 564 -20.440 -2.464 -11.653 1.00 0.00 C ATOM 218 CE2 TYR A 564 -18.935 -0.620 -11.875 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.302 -1.909 -12.198 1.00 0.00 C ATOM 220 OH TYR A 564 -18.525 -2.647 -13.061 1.00 0.00 O ATOM 0 H TYR A 564 -22.980 1.224 -7.458 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.308 -0.946 -7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -22.743 0.104 -9.568 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.608 1.434 -9.680 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.097 -2.165 -10.347 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -19.421 1.125 -10.756 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -20.728 -3.473 -11.910 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -18.042 -0.187 -12.302 1.00 0.00 H new ATOM 0 HH TYR A 564 -17.761 -2.108 -13.355 1.00 0.00 H new ATOM 230 N LYS A 565 -19.667 1.881 -7.483 1.00 0.00 N ATOM 231 CA LYS A 565 -18.349 2.446 -7.219 1.00 0.00 C ATOM 232 C LYS A 565 -17.606 1.651 -6.155 1.00 0.00 C ATOM 233 O LYS A 565 -16.387 1.539 -6.197 1.00 0.00 O ATOM 234 CB LYS A 565 -18.460 3.916 -6.809 1.00 0.00 C ATOM 235 CG LYS A 565 -19.351 4.168 -5.602 1.00 0.00 C ATOM 236 CD LYS A 565 -19.865 5.598 -5.596 1.00 0.00 C ATOM 237 CE LYS A 565 -18.741 6.618 -5.468 1.00 0.00 C ATOM 238 NZ LYS A 565 -18.198 6.695 -4.084 1.00 0.00 N ATOM 0 H LYS A 565 -20.435 2.546 -7.394 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.775 2.386 -8.144 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -17.462 4.297 -6.594 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -18.844 4.488 -7.654 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -20.192 3.475 -5.615 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -18.793 3.974 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.420 5.786 -6.515 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -20.564 5.726 -4.770 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -17.937 6.357 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -19.109 7.600 -5.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -17.436 7.402 -4.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -18.957 6.970 -3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -17.821 5.766 -3.807 1.00 0.00 H new ATOM 252 N LEU A 566 -18.342 1.108 -5.204 1.00 0.00 N ATOM 253 CA LEU A 566 -17.758 0.269 -4.172 1.00 0.00 C ATOM 254 C LEU A 566 -17.722 -1.180 -4.618 1.00 0.00 C ATOM 255 O LEU A 566 -16.863 -1.945 -4.191 1.00 0.00 O ATOM 256 CB LEU A 566 -18.542 0.392 -2.880 1.00 0.00 C ATOM 257 CG LEU A 566 -18.776 1.819 -2.408 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.212 1.808 -0.967 1.00 0.00 C ATOM 259 CD2 LEU A 566 -17.526 2.665 -2.589 1.00 0.00 C ATOM 0 H LEU A 566 -19.351 1.233 -5.124 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.737 0.608 -3.998 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.508 -0.096 -3.010 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.013 -0.152 -2.098 1.00 0.00 H new ATOM 0 HG LEU A 566 -19.564 2.266 -3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.379 2.831 -0.630 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -20.136 1.238 -0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -18.436 1.347 -0.356 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -17.721 3.680 -2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -16.709 2.235 -2.010 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -17.251 2.687 -3.644 1.00 0.00 H new ATOM 271 N GLN A 567 -18.674 -1.550 -5.464 1.00 0.00 N ATOM 272 CA GLN A 567 -18.736 -2.896 -6.003 1.00 0.00 C ATOM 273 C GLN A 567 -17.423 -3.256 -6.681 1.00 0.00 C ATOM 274 O GLN A 567 -16.762 -4.212 -6.288 1.00 0.00 O ATOM 275 CB GLN A 567 -19.901 -3.034 -6.987 1.00 0.00 C ATOM 276 CG GLN A 567 -21.267 -2.964 -6.322 1.00 0.00 C ATOM 277 CD GLN A 567 -22.406 -3.143 -7.306 1.00 0.00 C ATOM 278 OE1 GLN A 567 -23.490 -2.597 -7.124 1.00 0.00 O ATOM 279 NE2 GLN A 567 -22.168 -3.918 -8.355 1.00 0.00 N ATOM 0 H GLN A 567 -19.416 -0.931 -5.791 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.903 -3.588 -5.177 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -19.829 -2.245 -7.736 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -19.810 -3.984 -7.514 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.332 -3.734 -5.553 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.373 -2.002 -5.820 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -21.253 -4.354 -8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -22.900 -4.078 -9.047 1.00 0.00 H new ATOM 288 N ARG A 568 -17.022 -2.463 -7.670 1.00 0.00 N ATOM 289 CA ARG A 568 -15.779 -2.733 -8.384 1.00 0.00 C ATOM 290 C ARG A 568 -14.580 -2.344 -7.524 1.00 0.00 C ATOM 291 O ARG A 568 -13.481 -2.866 -7.699 1.00 0.00 O ATOM 292 CB ARG A 568 -15.745 -2.016 -9.742 1.00 0.00 C ATOM 293 CG ARG A 568 -15.168 -0.611 -9.727 1.00 0.00 C ATOM 294 CD ARG A 568 -16.102 0.359 -9.045 1.00 0.00 C ATOM 295 NE ARG A 568 -15.607 1.734 -9.110 1.00 0.00 N ATOM 296 CZ ARG A 568 -16.221 2.727 -9.747 1.00 0.00 C ATOM 297 NH1 ARG A 568 -17.336 2.494 -10.431 1.00 0.00 N ATOM 298 NH2 ARG A 568 -15.712 3.953 -9.701 1.00 0.00 N ATOM 0 H ARG A 568 -17.531 -1.640 -7.992 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.727 -3.803 -8.583 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.164 -2.621 -10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -16.761 -1.968 -10.133 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -14.207 -0.616 -9.213 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -14.981 -0.282 -10.749 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.085 0.305 -9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -16.229 0.068 -8.002 1.00 0.00 H new ATOM 0 HE ARG A 568 -14.730 1.946 -8.634 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -17.724 1.551 -10.469 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -17.804 3.258 -10.918 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -14.854 4.130 -9.179 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -16.179 4.718 -10.188 1.00 0.00 H new ATOM 312 N GLU A 569 -14.814 -1.438 -6.582 1.00 0.00 N ATOM 313 CA GLU A 569 -13.785 -1.018 -5.638 1.00 0.00 C ATOM 314 C GLU A 569 -13.335 -2.214 -4.809 1.00 0.00 C ATOM 315 O GLU A 569 -12.152 -2.538 -4.737 1.00 0.00 O ATOM 316 CB GLU A 569 -14.330 0.078 -4.709 1.00 0.00 C ATOM 317 CG GLU A 569 -13.270 0.770 -3.871 1.00 0.00 C ATOM 318 CD GLU A 569 -12.633 1.937 -4.592 1.00 0.00 C ATOM 319 OE1 GLU A 569 -12.015 1.723 -5.653 1.00 0.00 O ATOM 320 OE2 GLU A 569 -12.771 3.082 -4.104 1.00 0.00 O ATOM 0 H GLU A 569 -15.714 -0.977 -6.451 1.00 0.00 H new ATOM 0 HA GLU A 569 -12.937 -0.619 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -14.845 0.826 -5.312 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.073 -0.362 -4.043 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.718 1.122 -2.942 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.498 0.050 -3.600 1.00 0.00 H new ATOM 327 N LEU A 570 -14.306 -2.889 -4.214 1.00 0.00 N ATOM 328 CA LEU A 570 -14.049 -4.024 -3.344 1.00 0.00 C ATOM 329 C LEU A 570 -13.626 -5.252 -4.155 1.00 0.00 C ATOM 330 O LEU A 570 -13.077 -6.205 -3.615 1.00 0.00 O ATOM 331 CB LEU A 570 -15.297 -4.319 -2.512 1.00 0.00 C ATOM 332 CG LEU A 570 -15.050 -4.620 -1.028 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.367 -4.774 -0.295 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.213 -5.874 -0.852 1.00 0.00 C ATOM 0 H LEU A 570 -15.295 -2.664 -4.321 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.226 -3.778 -2.673 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -15.970 -3.464 -2.584 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -15.814 -5.170 -2.955 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.500 -3.779 -0.606 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.175 -4.987 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -16.940 -3.851 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -16.934 -5.595 -0.734 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.056 -6.060 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -14.732 -6.723 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.249 -5.740 -1.344 1.00 0.00 H new ATOM 346 N GLU A 571 -13.903 -5.235 -5.448 1.00 0.00 N ATOM 347 CA GLU A 571 -13.438 -6.299 -6.338 1.00 0.00 C ATOM 348 C GLU A 571 -11.925 -6.233 -6.514 1.00 0.00 C ATOM 349 O GLU A 571 -11.279 -7.235 -6.833 1.00 0.00 O ATOM 350 CB GLU A 571 -14.121 -6.201 -7.705 1.00 0.00 C ATOM 351 CG GLU A 571 -15.592 -6.585 -7.691 1.00 0.00 C ATOM 352 CD GLU A 571 -15.815 -8.054 -7.394 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.900 -8.420 -6.205 1.00 0.00 O ATOM 354 OE2 GLU A 571 -15.918 -8.848 -8.354 1.00 0.00 O ATOM 0 H GLU A 571 -14.444 -4.503 -5.908 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.699 -7.253 -5.881 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.026 -5.180 -8.075 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.595 -6.845 -8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -16.112 -5.985 -6.944 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.035 -6.344 -8.657 1.00 0.00 H new ATOM 361 N GLN A 572 -11.363 -5.055 -6.294 1.00 0.00 N ATOM 362 CA GLN A 572 -9.942 -4.840 -6.510 1.00 0.00 C ATOM 363 C GLN A 572 -9.197 -4.620 -5.197 1.00 0.00 C ATOM 364 O GLN A 572 -8.062 -5.062 -5.037 1.00 0.00 O ATOM 365 CB GLN A 572 -9.736 -3.627 -7.414 1.00 0.00 C ATOM 366 CG GLN A 572 -10.320 -3.798 -8.804 1.00 0.00 C ATOM 367 CD GLN A 572 -9.648 -4.906 -9.594 1.00 0.00 C ATOM 368 OE1 GLN A 572 -10.287 -5.581 -10.401 1.00 0.00 O ATOM 369 NE2 GLN A 572 -8.350 -5.081 -9.392 1.00 0.00 N ATOM 0 H GLN A 572 -11.870 -4.233 -5.966 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.540 -5.736 -6.983 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.188 -2.754 -6.944 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -8.668 -3.426 -7.500 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.386 -4.012 -8.721 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.225 -2.860 -9.351 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -7.857 -4.501 -8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -7.844 -5.796 -9.915 1.00 0.00 H new ATOM 378 N LEU A 573 -9.858 -3.941 -4.271 1.00 0.00 N ATOM 379 CA LEU A 573 -9.244 -3.473 -3.027 1.00 0.00 C ATOM 380 C LEU A 573 -8.494 -4.590 -2.266 1.00 0.00 C ATOM 381 O LEU A 573 -7.342 -4.394 -1.896 1.00 0.00 O ATOM 382 CB LEU A 573 -10.324 -2.836 -2.143 1.00 0.00 C ATOM 383 CG LEU A 573 -9.876 -1.661 -1.273 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.056 -1.121 -0.491 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.756 -2.059 -0.332 1.00 0.00 C ATOM 0 H LEU A 573 -10.844 -3.695 -4.358 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.489 -2.731 -3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.137 -2.497 -2.785 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.734 -3.608 -1.492 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.491 -0.881 -1.930 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.731 -0.284 0.127 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.827 -0.783 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.460 -1.907 0.147 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.464 -1.199 0.270 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -9.098 -2.861 0.322 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.900 -2.404 -0.911 1.00 0.00 H new ATOM 397 N PRO A 574 -9.106 -5.769 -2.004 1.00 0.00 N ATOM 398 CA PRO A 574 -8.408 -6.871 -1.318 1.00 0.00 C ATOM 399 C PRO A 574 -7.138 -7.298 -2.049 1.00 0.00 C ATOM 400 O PRO A 574 -6.116 -7.585 -1.422 1.00 0.00 O ATOM 401 CB PRO A 574 -9.433 -8.006 -1.314 1.00 0.00 C ATOM 402 CG PRO A 574 -10.746 -7.316 -1.423 1.00 0.00 C ATOM 403 CD PRO A 574 -10.501 -6.127 -2.305 1.00 0.00 C ATOM 0 HA PRO A 574 -8.078 -6.581 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -9.273 -8.690 -2.148 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.369 -8.597 -0.400 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.501 -7.974 -1.852 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -11.111 -7.009 -0.443 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.636 -6.372 -3.358 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.185 -5.309 -2.078 1.00 0.00 H new ATOM 411 N GLN A 575 -7.203 -7.320 -3.376 1.00 0.00 N ATOM 412 CA GLN A 575 -6.038 -7.637 -4.194 1.00 0.00 C ATOM 413 C GLN A 575 -5.010 -6.524 -4.069 1.00 0.00 C ATOM 414 O GLN A 575 -3.804 -6.763 -4.074 1.00 0.00 O ATOM 415 CB GLN A 575 -6.443 -7.810 -5.658 1.00 0.00 C ATOM 416 CG GLN A 575 -7.449 -8.927 -5.888 1.00 0.00 C ATOM 417 CD GLN A 575 -7.869 -9.050 -7.342 1.00 0.00 C ATOM 418 OE1 GLN A 575 -8.205 -10.136 -7.818 1.00 0.00 O ATOM 419 NE2 GLN A 575 -7.856 -7.937 -8.057 1.00 0.00 N ATOM 0 H GLN A 575 -8.050 -7.122 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.604 -8.573 -3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.865 -6.873 -6.022 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.551 -8.009 -6.251 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -7.018 -9.872 -5.558 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -8.331 -8.747 -5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -7.571 -7.057 -7.626 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -8.131 -7.959 -9.039 1.00 0.00 H new ATOM 428 N LEU A 576 -5.508 -5.308 -3.944 1.00 0.00 N ATOM 429 CA LEU A 576 -4.668 -4.146 -3.745 1.00 0.00 C ATOM 430 C LEU A 576 -3.979 -4.195 -2.381 1.00 0.00 C ATOM 431 O LEU A 576 -2.845 -3.759 -2.243 1.00 0.00 O ATOM 432 CB LEU A 576 -5.504 -2.875 -3.880 1.00 0.00 C ATOM 433 CG LEU A 576 -4.829 -1.609 -3.381 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.757 -1.143 -4.353 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.857 -0.517 -3.137 1.00 0.00 C ATOM 0 H LEU A 576 -6.506 -5.100 -3.978 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.891 -4.143 -4.510 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.766 -2.740 -4.929 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.437 -3.012 -3.333 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.341 -1.834 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.290 -0.235 -3.972 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.002 -1.921 -4.462 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.210 -0.938 -5.323 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.355 0.382 -2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.380 -0.295 -4.067 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.574 -0.853 -2.389 1.00 0.00 H new ATOM 447 N LEU A 577 -4.661 -4.725 -1.374 1.00 0.00 N ATOM 448 CA LEU A 577 -4.057 -4.888 -0.055 1.00 0.00 C ATOM 449 C LEU A 577 -2.843 -5.792 -0.114 1.00 0.00 C ATOM 450 O LEU A 577 -1.778 -5.435 0.373 1.00 0.00 O ATOM 451 CB LEU A 577 -5.061 -5.433 0.964 1.00 0.00 C ATOM 452 CG LEU A 577 -5.839 -4.389 1.771 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.450 -2.965 1.382 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.337 -4.605 1.624 1.00 0.00 C ATOM 0 H LEU A 577 -5.626 -5.048 -1.442 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.741 -3.897 0.271 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.778 -6.062 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.526 -6.077 1.662 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.573 -4.519 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.024 -2.255 1.977 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.386 -2.815 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.661 -2.806 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.872 -3.853 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.616 -4.518 0.574 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.599 -5.599 1.988 1.00 0.00 H new ATOM 466 N GLU A 578 -2.995 -6.952 -0.726 1.00 0.00 N ATOM 467 CA GLU A 578 -1.872 -7.867 -0.859 1.00 0.00 C ATOM 468 C GLU A 578 -0.844 -7.315 -1.843 1.00 0.00 C ATOM 469 O GLU A 578 0.317 -7.725 -1.841 1.00 0.00 O ATOM 470 CB GLU A 578 -2.342 -9.264 -1.272 1.00 0.00 C ATOM 471 CG GLU A 578 -3.308 -9.271 -2.440 1.00 0.00 C ATOM 472 CD GLU A 578 -3.832 -10.654 -2.749 1.00 0.00 C ATOM 473 OE1 GLU A 578 -4.334 -11.322 -1.816 1.00 0.00 O ATOM 474 OE2 GLU A 578 -3.744 -11.081 -3.919 1.00 0.00 O ATOM 0 H GLU A 578 -3.870 -7.281 -1.134 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.392 -7.959 0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.472 -9.867 -1.531 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.819 -9.743 -0.417 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -4.146 -8.610 -2.219 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.809 -8.869 -3.322 1.00 0.00 H new ATOM 481 N ASP A 579 -1.274 -6.374 -2.674 1.00 0.00 N ATOM 482 CA ASP A 579 -0.361 -5.656 -3.556 1.00 0.00 C ATOM 483 C ASP A 579 0.533 -4.754 -2.728 1.00 0.00 C ATOM 484 O ASP A 579 1.751 -4.853 -2.773 1.00 0.00 O ATOM 485 CB ASP A 579 -1.127 -4.773 -4.535 1.00 0.00 C ATOM 486 CG ASP A 579 -0.310 -4.433 -5.765 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.074 -5.329 -6.603 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.112 -3.265 -5.892 1.00 0.00 O ATOM 0 H ASP A 579 -2.250 -6.090 -2.756 1.00 0.00 H new ATOM 0 HA ASP A 579 0.222 -6.394 -4.107 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -2.042 -5.281 -4.839 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.425 -3.852 -4.034 1.00 0.00 H new ATOM 493 N LEU A 580 -0.111 -3.882 -1.964 1.00 0.00 N ATOM 494 CA LEU A 580 0.564 -2.884 -1.146 1.00 0.00 C ATOM 495 C LEU A 580 1.362 -3.535 -0.038 1.00 0.00 C ATOM 496 O LEU A 580 2.400 -3.028 0.364 1.00 0.00 O ATOM 497 CB LEU A 580 -0.464 -1.938 -0.541 1.00 0.00 C ATOM 498 CG LEU A 580 -1.391 -1.282 -1.550 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.508 -0.549 -0.832 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.607 -0.346 -2.455 1.00 0.00 C ATOM 0 H LEU A 580 -1.128 -3.848 -1.894 1.00 0.00 H new ATOM 0 HA LEU A 580 1.251 -2.329 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -1.066 -2.490 0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.060 -1.158 0.012 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.841 -2.053 -2.176 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -3.167 -0.082 -1.564 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -3.078 -1.256 -0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -2.083 0.219 -0.186 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.284 0.117 -3.173 1.00 0.00 H new ATOM 0 HD22 LEU A 580 -0.131 0.428 -1.853 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.157 -0.911 -2.989 1.00 0.00 H new ATOM 512 N GLU A 581 0.856 -4.648 0.462 1.00 0.00 N ATOM 513 CA GLU A 581 1.557 -5.419 1.467 1.00 0.00 C ATOM 514 C GLU A 581 2.891 -5.889 0.908 1.00 0.00 C ATOM 515 O GLU A 581 3.950 -5.574 1.449 1.00 0.00 O ATOM 516 CB GLU A 581 0.717 -6.620 1.884 1.00 0.00 C ATOM 517 CG GLU A 581 1.302 -7.374 3.057 1.00 0.00 C ATOM 518 CD GLU A 581 0.570 -8.669 3.339 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.721 -9.629 2.554 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.163 -8.736 4.349 1.00 0.00 O ATOM 0 H GLU A 581 -0.045 -5.038 0.184 1.00 0.00 H new ATOM 0 HA GLU A 581 1.733 -4.792 2.341 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.287 -6.282 2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.618 -7.298 1.037 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.352 -7.590 2.858 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.269 -6.741 3.944 1.00 0.00 H new ATOM 527 N ALA A 582 2.821 -6.612 -0.203 1.00 0.00 N ATOM 528 CA ALA A 582 4.012 -7.105 -0.889 1.00 0.00 C ATOM 529 C ALA A 582 4.899 -5.944 -1.323 1.00 0.00 C ATOM 530 O ALA A 582 6.126 -6.037 -1.313 1.00 0.00 O ATOM 531 CB ALA A 582 3.608 -7.937 -2.097 1.00 0.00 C ATOM 0 H ALA A 582 1.943 -6.873 -0.653 1.00 0.00 H new ATOM 0 HA ALA A 582 4.578 -7.731 -0.199 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.502 -8.301 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 582 3.006 -8.784 -1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.027 -7.322 -2.784 1.00 0.00 H new ATOM 537 N LYS A 583 4.253 -4.845 -1.683 1.00 0.00 N ATOM 538 CA LYS A 583 4.937 -3.643 -2.139 1.00 0.00 C ATOM 539 C LYS A 583 5.749 -3.044 -0.999 1.00 0.00 C ATOM 540 O LYS A 583 6.922 -2.708 -1.161 1.00 0.00 O ATOM 541 CB LYS A 583 3.899 -2.639 -2.643 1.00 0.00 C ATOM 542 CG LYS A 583 4.479 -1.367 -3.235 1.00 0.00 C ATOM 543 CD LYS A 583 3.374 -0.408 -3.639 1.00 0.00 C ATOM 544 CE LYS A 583 3.923 0.796 -4.380 1.00 0.00 C ATOM 545 NZ LYS A 583 2.835 1.674 -4.878 1.00 0.00 N ATOM 0 H LYS A 583 3.237 -4.761 -1.667 1.00 0.00 H new ATOM 0 HA LYS A 583 5.619 -3.892 -2.952 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.280 -3.125 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.242 -2.371 -1.816 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.135 -0.888 -2.508 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.091 -1.611 -4.104 1.00 0.00 H new ATOM 0 HD2 LYS A 583 2.654 -0.927 -4.271 1.00 0.00 H new ATOM 0 HD3 LYS A 583 2.837 -0.075 -2.751 1.00 0.00 H new ATOM 0 HE2 LYS A 583 4.576 1.365 -3.718 1.00 0.00 H new ATOM 0 HE3 LYS A 583 4.533 0.461 -5.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 3.247 2.487 -5.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 2.227 1.138 -5.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.268 2.014 -4.075 1.00 0.00 H new ATOM 559 N LEU A 584 5.114 -2.938 0.159 1.00 0.00 N ATOM 560 CA LEU A 584 5.753 -2.409 1.346 1.00 0.00 C ATOM 561 C LEU A 584 6.899 -3.319 1.769 1.00 0.00 C ATOM 562 O LEU A 584 8.002 -2.842 2.028 1.00 0.00 O ATOM 563 CB LEU A 584 4.718 -2.243 2.474 1.00 0.00 C ATOM 564 CG LEU A 584 5.236 -1.622 3.778 1.00 0.00 C ATOM 565 CD1 LEU A 584 5.842 -2.687 4.678 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.255 -0.534 3.476 1.00 0.00 C ATOM 0 H LEU A 584 4.143 -3.217 0.298 1.00 0.00 H new ATOM 0 HA LEU A 584 6.168 -1.425 1.127 1.00 0.00 H new ATOM 0 HB2 LEU A 584 3.900 -1.626 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.300 -3.223 2.703 1.00 0.00 H new ATOM 0 HG LEU A 584 4.394 -1.173 4.304 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.203 -2.225 5.597 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.085 -3.433 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.674 -3.168 4.163 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.614 -0.102 4.410 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.094 -0.963 2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.788 0.244 2.872 1.00 0.00 H new ATOM 578 N GLU A 585 6.634 -4.623 1.832 1.00 0.00 N ATOM 579 CA GLU A 585 7.672 -5.599 2.146 1.00 0.00 C ATOM 580 C GLU A 585 8.892 -5.392 1.250 1.00 0.00 C ATOM 581 O GLU A 585 10.014 -5.273 1.732 1.00 0.00 O ATOM 582 CB GLU A 585 7.132 -7.014 1.951 1.00 0.00 C ATOM 583 CG GLU A 585 5.950 -7.360 2.839 1.00 0.00 C ATOM 584 CD GLU A 585 6.311 -7.400 4.306 1.00 0.00 C ATOM 585 OE1 GLU A 585 6.875 -8.418 4.753 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.027 -6.423 5.026 1.00 0.00 O ATOM 0 H GLU A 585 5.711 -5.026 1.670 1.00 0.00 H new ATOM 0 HA GLU A 585 7.970 -5.462 3.185 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.837 -7.137 0.909 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.935 -7.726 2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.158 -6.627 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.549 -8.329 2.542 1.00 0.00 H new ATOM 593 N ALA A 586 8.645 -5.317 -0.052 1.00 0.00 N ATOM 594 CA ALA A 586 9.687 -5.134 -1.049 1.00 0.00 C ATOM 595 C ALA A 586 10.463 -3.848 -0.806 1.00 0.00 C ATOM 596 O ALA A 586 11.693 -3.847 -0.780 1.00 0.00 O ATOM 597 CB ALA A 586 9.066 -5.118 -2.439 1.00 0.00 C ATOM 0 H ALA A 586 7.707 -5.382 -0.447 1.00 0.00 H new ATOM 0 HA ALA A 586 10.387 -5.966 -0.972 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.848 -4.981 -3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.554 -6.063 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.350 -4.299 -2.508 1.00 0.00 H new ATOM 603 N LEU A 587 9.737 -2.757 -0.611 1.00 0.00 N ATOM 604 CA LEU A 587 10.351 -1.454 -0.404 1.00 0.00 C ATOM 605 C LEU A 587 11.152 -1.423 0.894 1.00 0.00 C ATOM 606 O LEU A 587 12.305 -1.008 0.901 1.00 0.00 O ATOM 607 CB LEU A 587 9.280 -0.363 -0.420 1.00 0.00 C ATOM 608 CG LEU A 587 8.606 -0.172 -1.782 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.395 0.733 -1.672 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.597 0.394 -2.781 1.00 0.00 C ATOM 0 H LEU A 587 8.717 -2.749 -0.592 1.00 0.00 H new ATOM 0 HA LEU A 587 11.049 -1.265 -1.220 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.518 -0.606 0.320 1.00 0.00 H new ATOM 0 HB3 LEU A 587 9.732 0.580 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 587 8.266 -1.147 -2.132 1.00 0.00 H new ATOM 0 HD11 LEU A 587 6.938 0.850 -2.654 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.672 0.292 -0.985 1.00 0.00 H new ATOM 0 HD13 LEU A 587 7.703 1.709 -1.297 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.107 0.525 -3.745 1.00 0.00 H new ATOM 0 HD22 LEU A 587 9.962 1.357 -2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.436 -0.294 -2.891 1.00 0.00 H new ATOM 622 N GLN A 588 10.556 -1.904 1.978 1.00 0.00 N ATOM 623 CA GLN A 588 11.244 -2.001 3.268 1.00 0.00 C ATOM 624 C GLN A 588 12.435 -2.952 3.178 1.00 0.00 C ATOM 625 O GLN A 588 13.356 -2.895 3.986 1.00 0.00 O ATOM 626 CB GLN A 588 10.274 -2.493 4.343 1.00 0.00 C ATOM 627 CG GLN A 588 9.363 -1.415 4.905 1.00 0.00 C ATOM 628 CD GLN A 588 10.046 -0.547 5.941 1.00 0.00 C ATOM 629 OE1 GLN A 588 10.983 -0.979 6.614 1.00 0.00 O ATOM 630 NE2 GLN A 588 9.557 0.669 6.104 1.00 0.00 N ATOM 0 H GLN A 588 9.592 -2.236 1.993 1.00 0.00 H new ATOM 0 HA GLN A 588 11.609 -1.009 3.535 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.659 -3.289 3.924 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.847 -2.930 5.161 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.007 -0.786 4.089 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.486 -1.884 5.352 1.00 0.00 H new ATOM 0 HE21 GLN A 588 8.780 0.988 5.525 1.00 0.00 H new ATOM 0 HE22 GLN A 588 9.956 1.289 6.808 1.00 0.00 H new ATOM 639 N THR A 589 12.394 -3.818 2.184 1.00 0.00 N ATOM 640 CA THR A 589 13.419 -4.824 1.969 1.00 0.00 C ATOM 641 C THR A 589 14.576 -4.292 1.122 1.00 0.00 C ATOM 642 O THR A 589 15.738 -4.588 1.400 1.00 0.00 O ATOM 643 CB THR A 589 12.765 -6.073 1.334 1.00 0.00 C ATOM 644 OG1 THR A 589 12.301 -6.949 2.367 1.00 0.00 O ATOM 645 CG2 THR A 589 13.687 -6.821 0.392 1.00 0.00 C ATOM 0 H THR A 589 11.642 -3.844 1.496 1.00 0.00 H new ATOM 0 HA THR A 589 13.857 -5.098 2.929 1.00 0.00 H new ATOM 0 HB THR A 589 11.929 -5.721 0.730 1.00 0.00 H new ATOM 0 HG1 THR A 589 11.355 -6.768 2.549 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.165 -7.686 -0.018 1.00 0.00 H new ATOM 0 HG22 THR A 589 13.990 -6.161 -0.421 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.570 -7.155 0.936 1.00 0.00 H new ATOM 653 N GLN A 590 14.276 -3.493 0.109 1.00 0.00 N ATOM 654 CA GLN A 590 15.334 -2.850 -0.661 1.00 0.00 C ATOM 655 C GLN A 590 15.946 -1.714 0.155 1.00 0.00 C ATOM 656 O GLN A 590 17.106 -1.358 -0.026 1.00 0.00 O ATOM 657 CB GLN A 590 14.810 -2.356 -2.014 1.00 0.00 C ATOM 658 CG GLN A 590 13.641 -1.395 -1.913 1.00 0.00 C ATOM 659 CD GLN A 590 12.985 -1.136 -3.254 1.00 0.00 C ATOM 660 OE1 GLN A 590 12.049 -1.833 -3.640 1.00 0.00 O ATOM 661 NE2 GLN A 590 13.471 -0.141 -3.975 1.00 0.00 N ATOM 0 H GLN A 590 13.327 -3.276 -0.196 1.00 0.00 H new ATOM 0 HA GLN A 590 16.114 -3.582 -0.871 1.00 0.00 H new ATOM 0 HB2 GLN A 590 15.623 -1.866 -2.550 1.00 0.00 H new ATOM 0 HB3 GLN A 590 14.508 -3.217 -2.611 1.00 0.00 H new ATOM 0 HG2 GLN A 590 12.901 -1.799 -1.222 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.987 -0.450 -1.493 1.00 0.00 H new ATOM 0 HE21 GLN A 590 14.249 0.414 -3.619 1.00 0.00 H new ATOM 0 HE22 GLN A 590 13.068 0.072 -4.888 1.00 0.00 H new ATOM 670 N VAL A 591 15.152 -1.174 1.074 1.00 0.00 N ATOM 671 CA VAL A 591 15.626 -0.189 2.040 1.00 0.00 C ATOM 672 C VAL A 591 16.396 -0.885 3.166 1.00 0.00 C ATOM 673 O VAL A 591 17.252 -0.287 3.818 1.00 0.00 O ATOM 674 CB VAL A 591 14.432 0.615 2.619 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.837 1.476 3.806 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.806 1.483 1.538 1.00 0.00 C ATOM 0 H VAL A 591 14.163 -1.406 1.170 1.00 0.00 H new ATOM 0 HA VAL A 591 16.297 0.505 1.534 1.00 0.00 H new ATOM 0 HB VAL A 591 13.700 -0.110 2.975 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.967 2.019 4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.232 0.840 4.599 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.603 2.187 3.496 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.970 2.041 1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.551 2.180 1.154 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.448 0.851 0.726 1.00 0.00 H new ATOM 686 N ALA A 592 16.097 -2.166 3.371 1.00 0.00 N ATOM 687 CA ALA A 592 16.770 -2.960 4.395 1.00 0.00 C ATOM 688 C ALA A 592 18.237 -3.176 4.040 1.00 0.00 C ATOM 689 O ALA A 592 19.072 -3.421 4.914 1.00 0.00 O ATOM 690 CB ALA A 592 16.078 -4.302 4.581 1.00 0.00 C ATOM 0 H ALA A 592 15.391 -2.677 2.840 1.00 0.00 H new ATOM 0 HA ALA A 592 16.716 -2.406 5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.597 -4.876 5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 592 15.044 -4.139 4.886 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.096 -4.854 3.641 1.00 0.00 H new ATOM 696 N ASP A 593 18.538 -3.096 2.751 1.00 0.00 N ATOM 697 CA ASP A 593 19.900 -3.258 2.262 1.00 0.00 C ATOM 698 C ASP A 593 20.767 -2.084 2.704 1.00 0.00 C ATOM 699 O ASP A 593 20.380 -0.924 2.573 1.00 0.00 O ATOM 700 CB ASP A 593 19.913 -3.375 0.737 1.00 0.00 C ATOM 701 CG ASP A 593 21.306 -3.611 0.193 1.00 0.00 C ATOM 702 OD1 ASP A 593 21.808 -4.749 0.309 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.906 -2.666 -0.349 1.00 0.00 O ATOM 0 H ASP A 593 17.850 -2.918 2.019 1.00 0.00 H new ATOM 0 HA ASP A 593 20.309 -4.176 2.685 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.262 -4.194 0.432 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.504 -2.464 0.301 1.00 0.00 H new ATOM 708 N ALA A 594 21.945 -2.400 3.224 1.00 0.00 N ATOM 709 CA ALA A 594 22.834 -1.393 3.790 1.00 0.00 C ATOM 710 C ALA A 594 23.408 -0.484 2.711 1.00 0.00 C ATOM 711 O ALA A 594 23.800 0.650 2.990 1.00 0.00 O ATOM 712 CB ALA A 594 23.958 -2.060 4.566 1.00 0.00 C ATOM 0 H ALA A 594 22.309 -3.352 3.266 1.00 0.00 H new ATOM 0 HA ALA A 594 22.247 -0.775 4.470 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.615 -1.297 4.983 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.537 -2.658 5.374 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.529 -2.704 3.898 1.00 0.00 H new ATOM 718 N SER A 595 23.445 -0.976 1.480 1.00 0.00 N ATOM 719 CA SER A 595 24.003 -0.212 0.379 1.00 0.00 C ATOM 720 C SER A 595 22.945 0.704 -0.235 1.00 0.00 C ATOM 721 O SER A 595 23.252 1.530 -1.097 1.00 0.00 O ATOM 722 CB SER A 595 24.576 -1.158 -0.678 1.00 0.00 C ATOM 723 OG SER A 595 25.535 -2.035 -0.106 1.00 0.00 O ATOM 0 H SER A 595 23.095 -1.899 1.222 1.00 0.00 H new ATOM 0 HA SER A 595 24.809 0.414 0.763 1.00 0.00 H new ATOM 0 HB2 SER A 595 23.770 -1.738 -1.128 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.038 -0.579 -1.478 1.00 0.00 H new ATOM 0 HG SER A 595 25.887 -2.632 -0.799 1.00 0.00 H new ATOM 729 N PHE A 596 21.699 0.558 0.213 1.00 0.00 N ATOM 730 CA PHE A 596 20.619 1.417 -0.253 1.00 0.00 C ATOM 731 C PHE A 596 20.883 2.873 0.120 1.00 0.00 C ATOM 732 O PHE A 596 20.912 3.744 -0.745 1.00 0.00 O ATOM 733 CB PHE A 596 19.272 0.967 0.321 1.00 0.00 C ATOM 734 CG PHE A 596 18.185 1.977 0.115 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.677 2.216 -1.149 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.690 2.704 1.185 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.692 3.157 -1.342 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.707 3.650 0.995 1.00 0.00 C ATOM 739 CZ PHE A 596 16.206 3.876 -0.268 1.00 0.00 C ATOM 0 H PHE A 596 21.416 -0.145 0.896 1.00 0.00 H new ATOM 0 HA PHE A 596 20.578 1.335 -1.339 1.00 0.00 H new ATOM 0 HB2 PHE A 596 18.980 0.026 -0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.384 0.773 1.388 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.057 1.659 -1.992 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.078 2.528 2.177 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.299 3.333 -2.333 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.330 4.214 1.835 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.433 4.615 -0.418 1.00 0.00 H new ATOM 749 N PHE A 597 21.099 3.124 1.408 1.00 0.00 N ATOM 750 CA PHE A 597 21.323 4.486 1.900 1.00 0.00 C ATOM 751 C PHE A 597 22.663 5.038 1.420 1.00 0.00 C ATOM 752 O PHE A 597 22.973 6.211 1.630 1.00 0.00 O ATOM 753 CB PHE A 597 21.268 4.531 3.428 1.00 0.00 C ATOM 754 CG PHE A 597 19.911 4.240 3.998 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.949 5.235 4.061 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.599 2.979 4.476 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.701 4.975 4.587 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.351 2.713 5.004 1.00 0.00 C ATOM 759 CZ PHE A 597 17.401 3.713 5.059 1.00 0.00 C ATOM 0 H PHE A 597 21.124 2.405 2.131 1.00 0.00 H new ATOM 0 HA PHE A 597 20.525 5.109 1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.981 3.811 3.828 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.588 5.517 3.764 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.179 6.225 3.694 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.340 2.194 4.436 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.959 5.758 4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.119 1.725 5.373 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.424 3.508 5.471 1.00 0.00 H new ATOM 769 N SER A 598 23.450 4.189 0.778 1.00 0.00 N ATOM 770 CA SER A 598 24.723 4.602 0.213 1.00 0.00 C ATOM 771 C SER A 598 24.501 5.359 -1.094 1.00 0.00 C ATOM 772 O SER A 598 25.414 5.990 -1.624 1.00 0.00 O ATOM 773 CB SER A 598 25.603 3.377 -0.017 1.00 0.00 C ATOM 774 OG SER A 598 25.775 2.649 1.190 1.00 0.00 O ATOM 0 H SER A 598 23.227 3.204 0.635 1.00 0.00 H new ATOM 0 HA SER A 598 25.226 5.271 0.912 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.151 2.735 -0.773 1.00 0.00 H new ATOM 0 HB3 SER A 598 26.574 3.688 -0.402 1.00 0.00 H new ATOM 0 HG SER A 598 26.463 1.963 1.063 1.00 0.00 H new ATOM 780 N GLN A 599 23.278 5.289 -1.604 1.00 0.00 N ATOM 781 CA GLN A 599 22.906 6.028 -2.798 1.00 0.00 C ATOM 782 C GLN A 599 22.642 7.482 -2.446 1.00 0.00 C ATOM 783 O GLN A 599 22.360 7.814 -1.289 1.00 0.00 O ATOM 784 CB GLN A 599 21.664 5.414 -3.453 1.00 0.00 C ATOM 785 CG GLN A 599 21.878 3.990 -3.926 1.00 0.00 C ATOM 786 CD GLN A 599 20.589 3.283 -4.290 1.00 0.00 C ATOM 787 OE1 GLN A 599 19.604 3.911 -4.680 1.00 0.00 O ATOM 788 NE2 GLN A 599 20.598 1.965 -4.185 1.00 0.00 N ATOM 0 H GLN A 599 22.527 4.726 -1.206 1.00 0.00 H new ATOM 0 HA GLN A 599 23.731 5.974 -3.508 1.00 0.00 H new ATOM 0 HB2 GLN A 599 20.839 5.433 -2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.367 6.031 -4.301 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.538 3.997 -4.793 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.386 3.426 -3.143 1.00 0.00 H new ATOM 0 HE21 GLN A 599 21.436 1.485 -3.857 1.00 0.00 H new ATOM 0 HE22 GLN A 599 19.767 1.428 -4.432 1.00 0.00 H new ATOM 797 N PRO A 600 22.764 8.373 -3.432 1.00 0.00 N ATOM 798 CA PRO A 600 22.463 9.787 -3.251 1.00 0.00 C ATOM 799 C PRO A 600 20.999 10.011 -2.890 1.00 0.00 C ATOM 800 O PRO A 600 20.120 9.221 -3.238 1.00 0.00 O ATOM 801 CB PRO A 600 22.786 10.415 -4.612 1.00 0.00 C ATOM 802 CG PRO A 600 22.845 9.286 -5.580 1.00 0.00 C ATOM 803 CD PRO A 600 23.226 8.066 -4.791 1.00 0.00 C ATOM 0 HA PRO A 600 23.036 10.224 -2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 600 22.022 11.137 -4.900 1.00 0.00 H new ATOM 0 HB3 PRO A 600 23.734 10.951 -4.579 1.00 0.00 H new ATOM 0 HG2 PRO A 600 21.882 9.145 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 600 23.576 9.485 -6.364 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.747 7.169 -5.184 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.302 7.891 -4.818 1.00 0.00 H new ATOM 811 N HIS A 601 20.781 11.110 -2.173 1.00 0.00 N ATOM 812 CA HIS A 601 19.481 11.509 -1.623 1.00 0.00 C ATOM 813 C HIS A 601 18.354 11.395 -2.640 1.00 0.00 C ATOM 814 O HIS A 601 17.228 11.078 -2.278 1.00 0.00 O ATOM 815 CB HIS A 601 19.601 12.955 -1.138 1.00 0.00 C ATOM 816 CG HIS A 601 18.392 13.522 -0.464 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.177 13.446 0.894 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.366 14.238 -0.968 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.071 14.096 1.195 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.557 14.589 0.085 1.00 0.00 N ATOM 0 H HIS A 601 21.525 11.771 -1.950 1.00 0.00 H new ATOM 0 HA HIS A 601 19.228 10.835 -0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.441 13.017 -0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.845 13.585 -1.993 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.210 14.489 -2.007 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.655 14.207 2.185 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.701 15.140 0.019 1.00 0.00 H new ATOM 829 N GLU A 602 18.657 11.651 -3.899 1.00 0.00 N ATOM 830 CA GLU A 602 17.642 11.643 -4.938 1.00 0.00 C ATOM 831 C GLU A 602 17.222 10.219 -5.309 1.00 0.00 C ATOM 832 O GLU A 602 16.113 10.002 -5.788 1.00 0.00 O ATOM 833 CB GLU A 602 18.154 12.404 -6.155 1.00 0.00 C ATOM 834 CG GLU A 602 18.412 13.872 -5.860 1.00 0.00 C ATOM 835 CD GLU A 602 17.137 14.638 -5.572 1.00 0.00 C ATOM 836 OE1 GLU A 602 16.417 14.992 -6.534 1.00 0.00 O ATOM 837 OE2 GLU A 602 16.845 14.888 -4.384 1.00 0.00 O ATOM 0 H GLU A 602 19.598 11.867 -4.228 1.00 0.00 H new ATOM 0 HA GLU A 602 16.751 12.142 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.076 11.941 -6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.427 12.322 -6.963 1.00 0.00 H new ATOM 0 HG2 GLU A 602 19.083 13.955 -5.005 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.921 14.326 -6.710 1.00 0.00 H new ATOM 844 N GLN A 603 18.102 9.249 -5.074 1.00 0.00 N ATOM 845 CA GLN A 603 17.764 7.845 -5.300 1.00 0.00 C ATOM 846 C GLN A 603 17.008 7.321 -4.103 1.00 0.00 C ATOM 847 O GLN A 603 15.960 6.689 -4.219 1.00 0.00 O ATOM 848 CB GLN A 603 19.012 6.969 -5.447 1.00 0.00 C ATOM 849 CG GLN A 603 20.101 7.527 -6.331 1.00 0.00 C ATOM 850 CD GLN A 603 19.679 7.679 -7.779 1.00 0.00 C ATOM 851 OE1 GLN A 603 19.814 6.750 -8.577 1.00 0.00 O ATOM 852 NE2 GLN A 603 19.186 8.851 -8.137 1.00 0.00 N ATOM 0 H GLN A 603 19.049 9.407 -4.729 1.00 0.00 H new ATOM 0 HA GLN A 603 17.177 7.800 -6.217 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.429 6.792 -4.455 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.709 6.000 -5.843 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.410 8.499 -5.946 1.00 0.00 H new ATOM 0 HG3 GLN A 603 20.971 6.873 -6.280 1.00 0.00 H new ATOM 0 HE21 GLN A 603 19.090 9.596 -7.447 1.00 0.00 H new ATOM 0 HE22 GLN A 603 18.902 9.011 -9.103 1.00 0.00 H new ATOM 861 N THR A 604 17.569 7.599 -2.947 1.00 0.00 N ATOM 862 CA THR A 604 17.092 7.031 -1.714 1.00 0.00 C ATOM 863 C THR A 604 15.732 7.582 -1.322 1.00 0.00 C ATOM 864 O THR A 604 14.835 6.823 -0.977 1.00 0.00 O ATOM 865 CB THR A 604 18.110 7.266 -0.597 1.00 0.00 C ATOM 866 OG1 THR A 604 18.446 8.658 -0.520 1.00 0.00 O ATOM 867 CG2 THR A 604 19.367 6.448 -0.859 1.00 0.00 C ATOM 0 H THR A 604 18.367 8.225 -2.839 1.00 0.00 H new ATOM 0 HA THR A 604 16.972 5.959 -1.869 1.00 0.00 H new ATOM 0 HB THR A 604 17.670 6.954 0.350 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.097 8.798 0.199 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.087 6.621 -0.059 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.111 5.389 -0.894 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.804 6.748 -1.812 1.00 0.00 H new ATOM 875 N GLN A 605 15.574 8.898 -1.396 1.00 0.00 N ATOM 876 CA GLN A 605 14.298 9.528 -1.080 1.00 0.00 C ATOM 877 C GLN A 605 13.219 9.080 -2.051 1.00 0.00 C ATOM 878 O GLN A 605 12.053 8.978 -1.687 1.00 0.00 O ATOM 879 CB GLN A 605 14.433 11.048 -1.100 1.00 0.00 C ATOM 880 CG GLN A 605 15.204 11.591 0.083 1.00 0.00 C ATOM 881 CD GLN A 605 14.542 11.276 1.409 1.00 0.00 C ATOM 882 OE1 GLN A 605 13.317 11.194 1.504 1.00 0.00 O ATOM 883 NE2 GLN A 605 15.348 11.075 2.435 1.00 0.00 N ATOM 0 H GLN A 605 16.311 9.548 -1.671 1.00 0.00 H new ATOM 0 HA GLN A 605 14.005 9.218 -0.077 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.932 11.350 -2.021 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.439 11.495 -1.114 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.211 11.174 0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.305 12.671 -0.020 1.00 0.00 H new ATOM 0 HE21 GLN A 605 16.358 11.153 2.313 1.00 0.00 H new ATOM 0 HE22 GLN A 605 14.961 10.842 3.350 1.00 0.00 H new ATOM 892 N LYS A 606 13.625 8.800 -3.282 1.00 0.00 N ATOM 893 CA LYS A 606 12.736 8.248 -4.288 1.00 0.00 C ATOM 894 C LYS A 606 12.118 6.951 -3.775 1.00 0.00 C ATOM 895 O LYS A 606 10.919 6.714 -3.912 1.00 0.00 O ATOM 896 CB LYS A 606 13.541 8.007 -5.570 1.00 0.00 C ATOM 897 CG LYS A 606 12.734 7.534 -6.766 1.00 0.00 C ATOM 898 CD LYS A 606 12.532 6.030 -6.749 1.00 0.00 C ATOM 899 CE LYS A 606 11.865 5.543 -8.023 1.00 0.00 C ATOM 900 NZ LYS A 606 11.596 4.084 -7.979 1.00 0.00 N ATOM 0 H LYS A 606 14.580 8.950 -3.608 1.00 0.00 H new ATOM 0 HA LYS A 606 11.924 8.943 -4.502 1.00 0.00 H new ATOM 0 HB2 LYS A 606 14.049 8.933 -5.839 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.314 7.268 -5.360 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.764 8.031 -6.770 1.00 0.00 H new ATOM 0 HG3 LYS A 606 13.244 7.822 -7.685 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.495 5.534 -6.629 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.922 5.754 -5.889 1.00 0.00 H new ATOM 0 HE2 LYS A 606 10.929 6.081 -8.172 1.00 0.00 H new ATOM 0 HE3 LYS A 606 12.503 5.770 -8.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 11.140 3.788 -8.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 12.492 3.569 -7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 10.967 3.871 -7.179 1.00 0.00 H new ATOM 914 N VAL A 607 12.951 6.128 -3.162 1.00 0.00 N ATOM 915 CA VAL A 607 12.508 4.850 -2.632 1.00 0.00 C ATOM 916 C VAL A 607 11.842 5.020 -1.268 1.00 0.00 C ATOM 917 O VAL A 607 10.781 4.453 -1.015 1.00 0.00 O ATOM 918 CB VAL A 607 13.684 3.866 -2.506 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.210 2.518 -1.984 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.393 3.706 -3.843 1.00 0.00 C ATOM 0 H VAL A 607 13.942 6.323 -3.019 1.00 0.00 H new ATOM 0 HA VAL A 607 11.779 4.445 -3.334 1.00 0.00 H new ATOM 0 HB VAL A 607 14.394 4.275 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.060 1.840 -1.904 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.755 2.648 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.475 2.099 -2.672 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.222 3.006 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.691 3.324 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.775 4.673 -4.170 1.00 0.00 H new ATOM 930 N LEU A 608 12.467 5.808 -0.399 1.00 0.00 N ATOM 931 CA LEU A 608 11.964 6.035 0.955 1.00 0.00 C ATOM 932 C LEU A 608 10.566 6.651 0.935 1.00 0.00 C ATOM 933 O LEU A 608 9.697 6.263 1.719 1.00 0.00 O ATOM 934 CB LEU A 608 12.925 6.946 1.728 1.00 0.00 C ATOM 935 CG LEU A 608 14.318 6.362 1.982 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.214 7.390 2.656 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.227 5.101 2.830 1.00 0.00 C ATOM 0 H LEU A 608 13.332 6.306 -0.610 1.00 0.00 H new ATOM 0 HA LEU A 608 11.900 5.068 1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.036 7.880 1.178 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.472 7.193 2.688 1.00 0.00 H new ATOM 0 HG LEU A 608 14.757 6.098 1.020 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.199 6.957 2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.310 8.266 2.014 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.776 7.685 3.609 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.228 4.703 2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.765 5.339 3.788 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.623 4.357 2.311 1.00 0.00 H new ATOM 949 N ALA A 609 10.355 7.604 0.038 1.00 0.00 N ATOM 950 CA ALA A 609 9.065 8.265 -0.086 1.00 0.00 C ATOM 951 C ALA A 609 8.000 7.281 -0.558 1.00 0.00 C ATOM 952 O ALA A 609 6.881 7.269 -0.040 1.00 0.00 O ATOM 953 CB ALA A 609 9.164 9.450 -1.037 1.00 0.00 C ATOM 0 H ALA A 609 11.063 7.937 -0.616 1.00 0.00 H new ATOM 0 HA ALA A 609 8.772 8.637 0.896 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.190 9.933 -1.119 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.893 10.164 -0.654 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.480 9.102 -2.020 1.00 0.00 H new ATOM 959 N ASP A 610 8.362 6.447 -1.531 1.00 0.00 N ATOM 960 CA ASP A 610 7.445 5.443 -2.065 1.00 0.00 C ATOM 961 C ASP A 610 7.170 4.373 -1.017 1.00 0.00 C ATOM 962 O ASP A 610 6.045 3.895 -0.880 1.00 0.00 O ATOM 963 CB ASP A 610 8.028 4.804 -3.331 1.00 0.00 C ATOM 964 CG ASP A 610 7.019 3.952 -4.080 1.00 0.00 C ATOM 965 OD1 ASP A 610 5.949 4.481 -4.454 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.306 2.762 -4.336 1.00 0.00 O ATOM 0 H ASP A 610 9.285 6.447 -1.966 1.00 0.00 H new ATOM 0 HA ASP A 610 6.506 5.933 -2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.395 5.589 -3.992 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.886 4.188 -3.060 1.00 0.00 H new ATOM 971 N MET A 611 8.207 4.019 -0.269 1.00 0.00 N ATOM 972 CA MET A 611 8.086 3.061 0.824 1.00 0.00 C ATOM 973 C MET A 611 7.070 3.529 1.852 1.00 0.00 C ATOM 974 O MET A 611 6.147 2.792 2.207 1.00 0.00 O ATOM 975 CB MET A 611 9.439 2.850 1.502 1.00 0.00 C ATOM 976 CG MET A 611 9.361 1.985 2.749 1.00 0.00 C ATOM 977 SD MET A 611 10.965 1.754 3.534 1.00 0.00 S ATOM 978 CE MET A 611 11.298 3.415 4.114 1.00 0.00 C ATOM 0 H MET A 611 9.150 4.385 -0.401 1.00 0.00 H new ATOM 0 HA MET A 611 7.744 2.117 0.400 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.125 2.389 0.791 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.859 3.820 1.767 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.675 2.443 3.462 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.946 1.012 2.486 1.00 0.00 H new ATOM 0 HE1 MET A 611 12.110 3.391 4.841 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.584 4.044 3.271 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.403 3.823 4.583 1.00 0.00 H new ATOM 988 N ALA A 612 7.233 4.759 2.316 1.00 0.00 N ATOM 989 CA ALA A 612 6.351 5.308 3.331 1.00 0.00 C ATOM 990 C ALA A 612 4.938 5.477 2.786 1.00 0.00 C ATOM 991 O ALA A 612 3.964 5.392 3.532 1.00 0.00 O ATOM 992 CB ALA A 612 6.890 6.637 3.842 1.00 0.00 C ATOM 0 H ALA A 612 7.968 5.394 2.005 1.00 0.00 H new ATOM 0 HA ALA A 612 6.312 4.607 4.165 1.00 0.00 H new ATOM 0 HB1 ALA A 612 6.217 7.035 4.602 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.879 6.486 4.276 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.961 7.343 3.015 1.00 0.00 H new ATOM 998 N ALA A 613 4.829 5.711 1.486 1.00 0.00 N ATOM 999 CA ALA A 613 3.529 5.839 0.845 1.00 0.00 C ATOM 1000 C ALA A 613 2.841 4.482 0.741 1.00 0.00 C ATOM 1001 O ALA A 613 1.618 4.393 0.811 1.00 0.00 O ATOM 1002 CB ALA A 613 3.670 6.466 -0.532 1.00 0.00 C ATOM 0 H ALA A 613 5.624 5.816 0.856 1.00 0.00 H new ATOM 0 HA ALA A 613 2.911 6.492 1.462 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.687 6.553 -0.995 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.115 7.456 -0.437 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.309 5.839 -1.154 1.00 0.00 H new ATOM 1008 N ALA A 614 3.636 3.431 0.584 1.00 0.00 N ATOM 1009 CA ALA A 614 3.111 2.078 0.465 1.00 0.00 C ATOM 1010 C ALA A 614 2.449 1.627 1.757 1.00 0.00 C ATOM 1011 O ALA A 614 1.308 1.175 1.746 1.00 0.00 O ATOM 1012 CB ALA A 614 4.217 1.112 0.075 1.00 0.00 C ATOM 0 H ALA A 614 4.653 3.491 0.536 1.00 0.00 H new ATOM 0 HA ALA A 614 2.353 2.082 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.808 0.105 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.642 1.413 -0.883 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.996 1.124 0.837 1.00 0.00 H new ATOM 1018 N GLU A 615 3.169 1.757 2.866 1.00 0.00 N ATOM 1019 CA GLU A 615 2.638 1.373 4.171 1.00 0.00 C ATOM 1020 C GLU A 615 1.397 2.192 4.518 1.00 0.00 C ATOM 1021 O GLU A 615 0.425 1.660 5.062 1.00 0.00 O ATOM 1022 CB GLU A 615 3.710 1.523 5.254 1.00 0.00 C ATOM 1023 CG GLU A 615 4.457 2.845 5.198 1.00 0.00 C ATOM 1024 CD GLU A 615 5.461 3.008 6.318 1.00 0.00 C ATOM 1025 OE1 GLU A 615 6.588 2.481 6.201 1.00 0.00 O ATOM 1026 OE2 GLU A 615 5.129 3.682 7.317 1.00 0.00 O ATOM 0 H GLU A 615 4.120 2.125 2.889 1.00 0.00 H new ATOM 0 HA GLU A 615 2.345 0.324 4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 615 3.241 1.422 6.233 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.426 0.707 5.159 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.973 2.923 4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.738 3.663 5.240 1.00 0.00 H new ATOM 1033 N GLN A 616 1.423 3.476 4.181 1.00 0.00 N ATOM 1034 CA GLN A 616 0.274 4.340 4.416 1.00 0.00 C ATOM 1035 C GLN A 616 -0.909 3.907 3.558 1.00 0.00 C ATOM 1036 O GLN A 616 -2.002 3.679 4.071 1.00 0.00 O ATOM 1037 CB GLN A 616 0.631 5.798 4.132 1.00 0.00 C ATOM 1038 CG GLN A 616 1.587 6.391 5.154 1.00 0.00 C ATOM 1039 CD GLN A 616 0.957 6.548 6.526 1.00 0.00 C ATOM 1040 OE1 GLN A 616 -0.244 6.780 6.648 1.00 0.00 O ATOM 1041 NE2 GLN A 616 1.762 6.417 7.569 1.00 0.00 N ATOM 0 H GLN A 616 2.222 3.939 3.747 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.010 4.251 5.465 1.00 0.00 H new ATOM 0 HB2 GLN A 616 1.079 5.869 3.141 1.00 0.00 H new ATOM 0 HB3 GLN A 616 -0.283 6.392 4.112 1.00 0.00 H new ATOM 0 HG2 GLN A 616 2.467 5.753 5.234 1.00 0.00 H new ATOM 0 HG3 GLN A 616 1.929 7.364 4.803 1.00 0.00 H new ATOM 0 HE21 GLN A 616 2.754 6.225 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 616 1.391 6.509 8.515 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.679 3.766 2.257 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.729 3.365 1.328 1.00 0.00 C ATOM 1052 C GLU A 617 -2.299 2.001 1.706 1.00 0.00 C ATOM 1053 O GLU A 617 -3.500 1.774 1.581 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.193 3.366 -0.113 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.176 2.844 -1.154 1.00 0.00 C ATOM 1056 CD GLU A 617 -1.881 3.365 -2.545 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.354 4.469 -2.884 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -1.171 2.680 -3.309 1.00 0.00 O ATOM 0 H GLU A 617 0.229 3.924 1.821 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.542 4.088 1.389 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.907 4.383 -0.380 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.288 2.760 -0.151 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -2.145 1.754 -1.164 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.188 3.131 -0.869 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.443 1.110 2.194 1.00 0.00 N ATOM 1066 CA LEU A 618 -1.876 -0.212 2.627 1.00 0.00 C ATOM 1067 C LEU A 618 -2.955 -0.114 3.703 1.00 0.00 C ATOM 1068 O LEU A 618 -4.047 -0.661 3.547 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.687 -1.022 3.152 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.030 -2.411 3.701 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.756 -3.243 2.661 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.226 -3.129 4.153 1.00 0.00 C ATOM 0 H LEU A 618 -0.443 1.281 2.299 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.299 -0.722 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 618 0.037 -1.137 2.345 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.198 -0.449 3.940 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.690 -2.278 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -1.988 -4.224 3.077 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.681 -2.742 2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.122 -3.362 1.783 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.037 -4.114 4.540 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.905 -3.241 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.714 -2.550 4.937 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.657 0.592 4.783 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.596 0.695 5.891 1.00 0.00 C ATOM 1086 C GLU A 619 -4.779 1.598 5.543 1.00 0.00 C ATOM 1087 O GLU A 619 -5.902 1.336 5.970 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.898 1.181 7.160 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.059 2.428 6.967 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.517 2.952 8.276 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.625 2.298 8.859 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -1.994 4.008 8.739 1.00 0.00 O ATOM 0 H GLU A 619 -1.781 1.098 4.916 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.987 -0.305 6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.651 1.378 7.923 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -2.260 0.382 7.539 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.231 2.207 6.294 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -2.662 3.200 6.489 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.534 2.651 4.765 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.615 3.522 4.310 1.00 0.00 C ATOM 1101 C GLN A 620 -6.619 2.724 3.495 1.00 0.00 C ATOM 1102 O GLN A 620 -7.833 2.851 3.676 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.077 4.687 3.470 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.201 5.658 4.249 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.918 6.306 5.419 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -4.300 6.632 6.434 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -6.218 6.513 5.283 1.00 0.00 N ATOM 0 H GLN A 620 -3.605 2.920 4.439 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.106 3.935 5.191 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -4.503 4.285 2.635 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.918 5.234 3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.323 5.128 4.618 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -3.844 6.436 3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -6.693 6.228 4.426 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -6.745 6.957 6.035 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.103 1.888 2.606 1.00 0.00 N ATOM 1117 CA ALA A 621 -6.939 1.029 1.789 1.00 0.00 C ATOM 1118 C ALA A 621 -7.584 -0.055 2.642 1.00 0.00 C ATOM 1119 O ALA A 621 -8.707 -0.471 2.376 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.128 0.410 0.664 1.00 0.00 C ATOM 0 H ALA A 621 -5.103 1.788 2.434 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.730 1.636 1.348 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.772 -0.231 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.713 1.200 0.037 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.316 -0.183 1.085 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.872 -0.502 3.669 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.393 -1.509 4.583 1.00 0.00 C ATOM 1128 C PHE A 622 -8.630 -0.993 5.314 1.00 0.00 C ATOM 1129 O PHE A 622 -9.648 -1.681 5.392 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.324 -1.913 5.596 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.872 -3.338 5.471 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.696 -4.376 5.873 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.621 -3.635 4.958 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.278 -5.688 5.762 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.198 -4.944 4.844 1.00 0.00 C ATOM 1136 CZ PHE A 622 -5.028 -5.973 5.246 1.00 0.00 C ATOM 0 H PHE A 622 -5.929 -0.181 3.890 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.676 -2.382 3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.461 -1.257 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.712 -1.753 6.602 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.674 -4.158 6.277 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.969 -2.834 4.643 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.928 -6.491 6.078 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.220 -5.163 4.441 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.700 -6.998 5.157 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.537 0.222 5.848 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.660 0.837 6.551 1.00 0.00 C ATOM 1148 C GLU A 623 -10.800 1.118 5.575 1.00 0.00 C ATOM 1149 O GLU A 623 -11.977 0.960 5.906 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.220 2.128 7.244 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.083 1.928 8.238 1.00 0.00 C ATOM 1152 CD GLU A 623 -7.771 3.178 9.031 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -6.981 4.021 8.551 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.316 3.324 10.146 1.00 0.00 O ATOM 0 H GLU A 623 -7.697 0.800 5.808 1.00 0.00 H new ATOM 0 HA GLU A 623 -10.014 0.144 7.314 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.908 2.849 6.488 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.074 2.561 7.764 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -8.344 1.123 8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.189 1.611 7.701 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.431 1.520 4.365 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.385 1.716 3.279 1.00 0.00 C ATOM 1163 C ARG A 624 -12.130 0.408 3.027 1.00 0.00 C ATOM 1164 O ARG A 624 -13.349 0.387 2.856 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.624 2.140 2.015 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.413 2.993 1.023 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.565 2.230 0.387 1.00 0.00 C ATOM 1168 NE ARG A 624 -13.004 2.838 -0.870 1.00 0.00 N ATOM 1169 CZ ARG A 624 -13.881 3.837 -0.958 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.356 4.418 0.137 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -14.263 4.266 -2.152 1.00 0.00 N ATOM 0 H ARG A 624 -9.464 1.719 4.109 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.103 2.492 3.544 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -9.735 2.694 2.317 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.280 1.242 1.501 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.803 3.873 1.535 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -10.742 3.350 0.241 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -12.259 1.200 0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.403 2.194 1.083 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.612 2.472 -1.738 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.050 4.100 1.057 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -15.027 5.182 0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.886 3.832 -2.995 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.934 5.030 -2.229 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.370 -0.676 3.026 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.893 -2.006 2.773 1.00 0.00 C ATOM 1187 C TRP A 625 -12.877 -2.437 3.859 1.00 0.00 C ATOM 1188 O TRP A 625 -13.971 -2.919 3.561 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.734 -2.999 2.667 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.174 -4.424 2.652 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.744 -5.102 1.615 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.084 -5.344 3.739 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -12.022 -6.394 1.999 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.624 -6.564 3.301 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.597 -5.249 5.043 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.696 -7.681 4.126 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.669 -6.357 5.860 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.214 -7.558 5.400 1.00 0.00 C ATOM 0 H TRP A 625 -10.366 -0.655 3.202 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.440 -1.989 1.830 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.169 -2.791 1.758 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.055 -2.845 3.506 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.947 -4.687 0.639 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.453 -7.108 1.412 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.172 -4.325 5.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.117 -8.611 3.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.298 -6.295 6.872 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.256 -8.408 6.065 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.482 -2.257 5.112 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.329 -2.613 6.245 1.00 0.00 C ATOM 1211 C GLU A 626 -14.629 -1.820 6.224 1.00 0.00 C ATOM 1212 O GLU A 626 -15.687 -2.333 6.592 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.572 -2.377 7.549 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.453 -3.379 7.767 1.00 0.00 C ATOM 1215 CD GLU A 626 -11.840 -4.472 8.741 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -12.761 -5.259 8.436 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -11.218 -4.553 9.821 1.00 0.00 O ATOM 0 H GLU A 626 -11.577 -1.865 5.371 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.585 -3.670 6.172 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.156 -1.369 7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -13.270 -2.431 8.384 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.179 -3.827 6.812 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.571 -2.859 8.140 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.543 -0.570 5.783 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.723 0.258 5.582 1.00 0.00 C ATOM 1226 C TYR A 627 -16.621 -0.343 4.502 1.00 0.00 C ATOM 1227 O TYR A 627 -17.844 -0.349 4.637 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.299 1.694 5.223 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.256 2.448 4.317 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.555 2.759 4.711 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -15.844 2.852 3.054 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.409 3.444 3.865 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.690 3.537 2.210 1.00 0.00 C ATOM 1234 CZ TYR A 627 -17.969 3.829 2.617 1.00 0.00 C ATOM 1235 OH TYR A 627 -18.810 4.506 1.769 1.00 0.00 O ATOM 0 H TYR A 627 -13.663 -0.107 5.557 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.298 0.292 6.507 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.177 2.260 6.146 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.322 1.657 4.741 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.900 2.461 5.690 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -14.840 2.625 2.727 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.415 3.676 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.349 3.843 1.232 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.341 4.702 0.931 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.010 -0.870 3.448 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.764 -1.437 2.338 1.00 0.00 C ATOM 1247 C LEU A 628 -17.462 -2.727 2.748 1.00 0.00 C ATOM 1248 O LEU A 628 -18.644 -2.914 2.465 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.859 -1.689 1.133 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.222 -0.441 0.529 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.528 -0.782 -0.776 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.270 0.636 0.313 1.00 0.00 C ATOM 0 H LEU A 628 -14.997 -0.916 3.339 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.525 -0.710 2.055 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.066 -2.375 1.431 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.441 -2.191 0.360 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.476 -0.058 1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -14.078 0.118 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.751 -1.524 -0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.255 -1.186 -1.480 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.800 1.520 -0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -17.038 0.265 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.726 0.897 1.268 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.726 -3.613 3.415 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.298 -4.861 3.914 1.00 0.00 C ATOM 1266 C GLU A 629 -18.479 -4.577 4.842 1.00 0.00 C ATOM 1267 O GLU A 629 -19.520 -5.233 4.766 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.235 -5.677 4.656 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.268 -6.415 3.742 1.00 0.00 C ATOM 1270 CD GLU A 629 -15.952 -7.485 2.916 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.457 -8.464 3.500 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -15.980 -7.367 1.677 1.00 0.00 O ATOM 0 H GLU A 629 -15.735 -3.490 3.622 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.654 -5.438 3.061 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.667 -5.010 5.305 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.733 -6.401 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.785 -5.700 3.076 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.482 -6.872 4.343 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.306 -3.582 5.700 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.343 -3.184 6.641 1.00 0.00 C ATOM 1281 C ALA A 630 -20.541 -2.567 5.924 1.00 0.00 C ATOM 1282 O ALA A 630 -21.686 -2.937 6.190 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.770 -2.212 7.662 1.00 0.00 C ATOM 0 H ALA A 630 -17.450 -3.031 5.764 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.696 -4.077 7.157 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.551 -1.918 8.363 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.957 -2.693 8.206 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.391 -1.328 7.150 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.271 -1.641 5.005 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.332 -0.945 4.277 1.00 0.00 C ATOM 1291 C LEU A 631 -22.138 -1.924 3.440 1.00 0.00 C ATOM 1292 O LEU A 631 -23.329 -1.728 3.209 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.748 0.124 3.353 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.756 1.170 2.867 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.961 2.229 3.932 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.307 1.804 1.564 1.00 0.00 C ATOM 0 H LEU A 631 -19.327 -1.355 4.747 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.980 -0.472 5.015 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.939 0.634 3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.307 -0.367 2.485 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.705 0.667 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.679 2.968 3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.340 1.762 4.841 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -21.011 2.719 4.145 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.044 2.542 1.246 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.344 2.293 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.211 1.034 0.799 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.467 -2.975 2.990 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.081 -3.980 2.138 1.00 0.00 C ATOM 1310 C LYS A 632 -23.225 -4.672 2.870 1.00 0.00 C ATOM 1311 O LYS A 632 -24.272 -4.961 2.291 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.038 -5.022 1.743 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.357 -5.764 0.458 1.00 0.00 C ATOM 1314 CD LYS A 632 -20.577 -7.062 0.366 1.00 0.00 C ATOM 1315 CE LYS A 632 -19.087 -6.831 0.559 1.00 0.00 C ATOM 1316 NZ LYS A 632 -18.314 -8.098 0.559 1.00 0.00 N ATOM 0 H LYS A 632 -20.486 -3.153 3.205 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.473 -3.489 1.247 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.072 -4.530 1.635 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.939 -5.745 2.552 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.425 -5.975 0.412 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.120 -5.133 -0.398 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.939 -7.760 1.121 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -20.752 -7.525 -0.605 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -18.717 -6.182 -0.235 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -18.922 -6.308 1.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -17.314 -7.895 0.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.692 -8.735 1.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -18.393 -8.553 -0.373 1.00 0.00 H new