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= -0.0317 USER MOD Single : A 564 TYR OH : rot 180:sc= 0.133 USER MOD Single : A 565 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 567 GLN : amide:sc= -1.43 K(o=-1.4,f=-3.3!) USER MOD Single : A 572 GLN : amide:sc= -0.179 X(o=-0.18,f=-0.067) USER MOD Single : A 575 GLN : amide:sc= -0.619 K(o=-0.62,f=-4.5!) USER MOD Single : A 583 LYS NZ :NH3+ -158:sc= -1.65! (180deg=-2.48!) USER MOD Single : A 588 GLN : amide:sc= -1.89! K(o=-1.9!,f=-1) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 595 SER OG : rot 84:sc= 1.22 USER MOD Single : A 598 SER OG : rot -172:sc= -0.294 USER MOD Single : A 599 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 601 HIS : no HD1:sc= -2.42! C(o=-2.4!,f=-3.7!) USER MOD Single : A 603 GLN : amide:sc= -0.01 K(o=-0.01,f=-0.93) USER MOD Single : A 604 THR OG1 : rot 180:sc= -0.706 USER MOD Single : A 605 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.42) USER MOD Single : A 606 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00597) USER MOD Single : A 611 MET CE :methyl 155:sc= -1.37 (180deg=-2.62) USER MOD Single : A 616 GLN : amide:sc= -0.294 K(o=-0.29,f=-0.92) USER MOD Single : A 620 GLN : amide:sc= -0.249 X(o=-0.25,f=-0.41) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 134:sc= 1.26 (180deg=0.905) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.036 0.417 -3.752 1.00 0.00 N ATOM 199 CA SER A 563 -23.291 0.857 -5.107 1.00 0.00 C ATOM 200 C SER A 563 -22.332 0.120 -6.033 1.00 0.00 C ATOM 201 O SER A 563 -21.370 -0.481 -5.551 1.00 0.00 O ATOM 202 CB SER A 563 -23.110 2.375 -5.218 1.00 0.00 C ATOM 203 OG SER A 563 -23.396 2.836 -6.525 1.00 0.00 O ATOM 0 HA SER A 563 -24.319 0.632 -5.392 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.765 2.874 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.087 2.641 -4.953 1.00 0.00 H new ATOM 0 HG SER A 563 -23.273 3.808 -6.563 1.00 0.00 H new ATOM 209 N TYR A 564 -22.575 0.139 -7.335 1.00 0.00 N ATOM 210 CA TYR A 564 -21.696 -0.556 -8.273 1.00 0.00 C ATOM 211 C TYR A 564 -20.269 -0.034 -8.160 1.00 0.00 C ATOM 212 O TYR A 564 -19.302 -0.796 -8.251 1.00 0.00 O ATOM 213 CB TYR A 564 -22.187 -0.394 -9.706 1.00 0.00 C ATOM 214 CG TYR A 564 -21.344 -1.143 -10.709 1.00 0.00 C ATOM 215 CD1 TYR A 564 -21.529 -2.500 -10.919 1.00 0.00 C ATOM 216 CD2 TYR A 564 -20.353 -0.495 -11.434 1.00 0.00 C ATOM 217 CE1 TYR A 564 -20.754 -3.192 -11.824 1.00 0.00 C ATOM 218 CE2 TYR A 564 -19.573 -1.179 -12.344 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.778 -2.526 -12.537 1.00 0.00 C ATOM 220 OH TYR A 564 -19.004 -3.209 -13.449 1.00 0.00 O ATOM 0 H TYR A 564 -23.364 0.621 -7.766 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.711 -1.615 -8.016 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -23.217 -0.744 -9.773 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -22.193 0.665 -9.964 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -22.293 -3.024 -10.364 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -20.190 0.562 -11.283 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -20.910 -4.250 -11.975 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -18.807 -0.661 -12.901 1.00 0.00 H new ATOM 0 HH TYR A 564 -18.366 -2.592 -13.864 1.00 0.00 H new ATOM 230 N LYS A 565 -20.143 1.267 -7.946 1.00 0.00 N ATOM 231 CA LYS A 565 -18.837 1.884 -7.768 1.00 0.00 C ATOM 232 C LYS A 565 -18.115 1.318 -6.547 1.00 0.00 C ATOM 233 O LYS A 565 -16.889 1.305 -6.498 1.00 0.00 O ATOM 234 CB LYS A 565 -18.957 3.406 -7.680 1.00 0.00 C ATOM 235 CG LYS A 565 -20.092 3.898 -6.798 1.00 0.00 C ATOM 236 CD LYS A 565 -20.220 5.407 -6.858 1.00 0.00 C ATOM 237 CE LYS A 565 -18.981 6.101 -6.316 1.00 0.00 C ATOM 238 NZ LYS A 565 -19.093 7.580 -6.399 1.00 0.00 N ATOM 0 H LYS A 565 -20.928 1.916 -7.891 1.00 0.00 H new ATOM 0 HA LYS A 565 -18.236 1.644 -8.645 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.018 3.811 -7.302 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -19.095 3.806 -8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -21.028 3.438 -7.116 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -19.917 3.586 -5.768 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.388 5.717 -7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -21.092 5.721 -6.285 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -18.825 5.807 -5.278 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -18.106 5.771 -6.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -18.228 8.015 -6.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -19.217 7.864 -7.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.913 7.898 -5.844 1.00 0.00 H new ATOM 252 N LEU A 566 -18.881 0.839 -5.571 1.00 0.00 N ATOM 253 CA LEU A 566 -18.308 0.161 -4.412 1.00 0.00 C ATOM 254 C LEU A 566 -18.113 -1.312 -4.703 1.00 0.00 C ATOM 255 O LEU A 566 -17.223 -1.944 -4.147 1.00 0.00 O ATOM 256 CB LEU A 566 -19.178 0.323 -3.169 1.00 0.00 C ATOM 257 CG LEU A 566 -19.081 1.673 -2.467 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.643 2.777 -3.339 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.805 1.618 -1.139 1.00 0.00 C ATOM 0 H LEU A 566 -19.899 0.908 -5.559 1.00 0.00 H new ATOM 0 HA LEU A 566 -17.343 0.627 -4.214 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -20.217 0.154 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.910 -0.457 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 566 -18.030 1.895 -2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.563 3.730 -2.816 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -19.081 2.826 -4.272 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -20.691 2.570 -3.557 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.731 2.586 -0.644 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.854 1.375 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -19.352 0.853 -0.509 1.00 0.00 H new ATOM 271 N GLN A 567 -18.956 -1.856 -5.569 1.00 0.00 N ATOM 272 CA GLN A 567 -18.797 -3.222 -6.036 1.00 0.00 C ATOM 273 C GLN A 567 -17.415 -3.403 -6.636 1.00 0.00 C ATOM 274 O GLN A 567 -16.650 -4.264 -6.215 1.00 0.00 O ATOM 275 CB GLN A 567 -19.896 -3.567 -7.049 1.00 0.00 C ATOM 276 CG GLN A 567 -21.199 -3.981 -6.384 1.00 0.00 C ATOM 277 CD GLN A 567 -22.336 -4.188 -7.368 1.00 0.00 C ATOM 278 OE1 GLN A 567 -23.082 -3.261 -7.668 1.00 0.00 O ATOM 279 NE2 GLN A 567 -22.478 -5.402 -7.876 1.00 0.00 N ATOM 0 H GLN A 567 -19.760 -1.368 -5.963 1.00 0.00 H new ATOM 0 HA GLN A 567 -18.894 -3.906 -5.193 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.078 -2.704 -7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -19.549 -4.375 -7.694 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.037 -4.904 -5.827 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.488 -3.219 -5.661 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -21.838 -6.147 -7.602 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -23.228 -5.592 -8.541 1.00 0.00 H new ATOM 288 N ARG A 568 -17.074 -2.540 -7.571 1.00 0.00 N ATOM 289 CA ARG A 568 -15.772 -2.603 -8.210 1.00 0.00 C ATOM 290 C ARG A 568 -14.679 -2.032 -7.311 1.00 0.00 C ATOM 291 O ARG A 568 -13.498 -2.330 -7.491 1.00 0.00 O ATOM 292 CB ARG A 568 -15.812 -1.901 -9.561 1.00 0.00 C ATOM 293 CG ARG A 568 -16.087 -2.859 -10.703 1.00 0.00 C ATOM 294 CD ARG A 568 -17.331 -3.701 -10.456 1.00 0.00 C ATOM 295 NE ARG A 568 -17.551 -4.644 -11.553 1.00 0.00 N ATOM 296 CZ ARG A 568 -17.820 -5.938 -11.403 1.00 0.00 C ATOM 297 NH1 ARG A 568 -17.911 -6.473 -10.195 1.00 0.00 N ATOM 298 NH2 ARG A 568 -18.003 -6.703 -12.471 1.00 0.00 N ATOM 0 H ARG A 568 -17.677 -1.788 -7.906 1.00 0.00 H new ATOM 0 HA ARG A 568 -15.525 -3.651 -8.380 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -16.582 -1.130 -9.544 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -14.861 -1.398 -9.734 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -16.209 -2.295 -11.628 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.227 -3.515 -10.841 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -17.225 -4.246 -9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -18.200 -3.051 -10.350 1.00 0.00 H new ATOM 0 HE ARG A 568 -17.494 -4.282 -12.505 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -17.774 -5.892 -9.368 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -18.118 -7.466 -10.091 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -17.937 -6.299 -13.405 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -18.209 -7.696 -12.358 1.00 0.00 H new ATOM 312 N GLU A 569 -15.070 -1.213 -6.343 1.00 0.00 N ATOM 313 CA GLU A 569 -14.133 -0.715 -5.347 1.00 0.00 C ATOM 314 C GLU A 569 -13.665 -1.874 -4.470 1.00 0.00 C ATOM 315 O GLU A 569 -12.471 -2.127 -4.333 1.00 0.00 O ATOM 316 CB GLU A 569 -14.802 0.359 -4.481 1.00 0.00 C ATOM 317 CG GLU A 569 -13.872 1.022 -3.476 1.00 0.00 C ATOM 318 CD GLU A 569 -13.044 2.135 -4.078 1.00 0.00 C ATOM 319 OE1 GLU A 569 -12.054 1.842 -4.779 1.00 0.00 O ATOM 320 OE2 GLU A 569 -13.380 3.311 -3.842 1.00 0.00 O ATOM 0 H GLU A 569 -16.027 -0.881 -6.227 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.275 -0.271 -5.851 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.220 1.126 -5.133 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.636 -0.092 -3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -14.463 1.422 -2.652 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -13.206 0.269 -3.055 1.00 0.00 H new ATOM 327 N LEU A 570 -14.632 -2.604 -3.928 1.00 0.00 N ATOM 328 CA LEU A 570 -14.378 -3.672 -2.967 1.00 0.00 C ATOM 329 C LEU A 570 -13.761 -4.903 -3.643 1.00 0.00 C ATOM 330 O LEU A 570 -13.034 -5.655 -3.015 1.00 0.00 O ATOM 331 CB LEU A 570 -15.702 -4.044 -2.278 1.00 0.00 C ATOM 332 CG LEU A 570 -15.611 -4.554 -0.827 1.00 0.00 C ATOM 333 CD1 LEU A 570 -17.005 -4.704 -0.234 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.875 -5.881 -0.738 1.00 0.00 C ATOM 0 H LEU A 570 -15.620 -2.472 -4.143 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.660 -3.317 -2.228 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.349 -3.167 -2.290 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.193 -4.811 -2.877 1.00 0.00 H new ATOM 0 HG LEU A 570 -15.046 -3.816 -0.258 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.927 -5.065 0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.509 -3.738 -0.241 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.578 -5.417 -0.827 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.833 -6.205 0.302 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.401 -6.629 -1.330 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.862 -5.762 -1.122 1.00 0.00 H new ATOM 346 N GLU A 571 -14.045 -5.107 -4.921 1.00 0.00 N ATOM 347 CA GLU A 571 -13.562 -6.297 -5.623 1.00 0.00 C ATOM 348 C GLU A 571 -12.131 -6.141 -6.137 1.00 0.00 C ATOM 349 O GLU A 571 -11.449 -7.134 -6.398 1.00 0.00 O ATOM 350 CB GLU A 571 -14.511 -6.657 -6.766 1.00 0.00 C ATOM 351 CG GLU A 571 -15.821 -7.262 -6.283 1.00 0.00 C ATOM 352 CD GLU A 571 -16.813 -7.494 -7.404 1.00 0.00 C ATOM 353 OE1 GLU A 571 -16.641 -8.469 -8.167 1.00 0.00 O ATOM 354 OE2 GLU A 571 -17.773 -6.705 -7.526 1.00 0.00 O ATOM 0 H GLU A 571 -14.602 -4.473 -5.493 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.544 -7.111 -4.899 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -14.724 -5.761 -7.350 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -14.016 -7.362 -7.434 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.616 -8.209 -5.785 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -16.268 -6.601 -5.540 1.00 0.00 H new ATOM 361 N GLN A 572 -11.667 -4.909 -6.274 1.00 0.00 N ATOM 362 CA GLN A 572 -10.305 -4.662 -6.744 1.00 0.00 C ATOM 363 C GLN A 572 -9.367 -4.367 -5.579 1.00 0.00 C ATOM 364 O GLN A 572 -8.166 -4.633 -5.634 1.00 0.00 O ATOM 365 CB GLN A 572 -10.285 -3.485 -7.715 1.00 0.00 C ATOM 366 CG GLN A 572 -10.921 -3.773 -9.066 1.00 0.00 C ATOM 367 CD GLN A 572 -10.212 -4.869 -9.836 1.00 0.00 C ATOM 368 OE1 GLN A 572 -9.265 -4.609 -10.578 1.00 0.00 O ATOM 369 NE2 GLN A 572 -10.675 -6.097 -9.681 1.00 0.00 N ATOM 0 H GLN A 572 -12.206 -4.067 -6.069 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.962 -5.563 -7.253 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.802 -2.642 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -9.251 -3.177 -7.872 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.963 -4.057 -8.917 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.922 -2.861 -9.662 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -11.462 -6.270 -9.056 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -10.245 -6.872 -10.186 1.00 0.00 H new ATOM 378 N LEU A 573 -9.948 -3.825 -4.532 1.00 0.00 N ATOM 379 CA LEU A 573 -9.240 -3.375 -3.349 1.00 0.00 C ATOM 380 C LEU A 573 -8.396 -4.480 -2.676 1.00 0.00 C ATOM 381 O LEU A 573 -7.262 -4.216 -2.310 1.00 0.00 O ATOM 382 CB LEU A 573 -10.298 -2.783 -2.419 1.00 0.00 C ATOM 383 CG LEU A 573 -9.848 -2.282 -1.061 1.00 0.00 C ATOM 384 CD1 LEU A 573 -8.504 -1.592 -1.129 1.00 0.00 C ATOM 385 CD2 LEU A 573 -10.890 -1.328 -0.510 1.00 0.00 C ATOM 0 H LEU A 573 -10.956 -3.680 -4.476 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.495 -2.626 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -10.775 -1.953 -2.940 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -11.064 -3.541 -2.259 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.739 -3.143 -0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -8.220 -1.249 -0.134 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -7.754 -2.291 -1.499 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -8.567 -0.738 -1.803 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -10.571 -0.965 0.467 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -11.007 -0.484 -1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -11.843 -1.848 -0.410 1.00 0.00 H new ATOM 397 N PRO A 574 -8.905 -5.717 -2.490 1.00 0.00 N ATOM 398 CA PRO A 574 -8.095 -6.816 -1.938 1.00 0.00 C ATOM 399 C PRO A 574 -6.792 -7.027 -2.711 1.00 0.00 C ATOM 400 O PRO A 574 -5.723 -7.168 -2.113 1.00 0.00 O ATOM 401 CB PRO A 574 -8.997 -8.038 -2.082 1.00 0.00 C ATOM 402 CG PRO A 574 -10.380 -7.493 -2.104 1.00 0.00 C ATOM 403 CD PRO A 574 -10.287 -6.138 -2.747 1.00 0.00 C ATOM 0 HA PRO A 574 -7.790 -6.613 -0.911 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.774 -8.588 -2.997 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.859 -8.731 -1.252 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.047 -8.146 -2.667 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.785 -7.418 -1.095 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.497 -6.188 -3.815 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.004 -5.441 -2.314 1.00 0.00 H new ATOM 411 N GLN A 575 -6.892 -7.024 -4.041 1.00 0.00 N ATOM 412 CA GLN A 575 -5.719 -7.138 -4.907 1.00 0.00 C ATOM 413 C GLN A 575 -4.770 -5.978 -4.653 1.00 0.00 C ATOM 414 O GLN A 575 -3.553 -6.137 -4.653 1.00 0.00 O ATOM 415 CB GLN A 575 -6.139 -7.139 -6.380 1.00 0.00 C ATOM 416 CG GLN A 575 -6.762 -8.442 -6.853 1.00 0.00 C ATOM 417 CD GLN A 575 -5.738 -9.547 -7.037 1.00 0.00 C ATOM 418 OE1 GLN A 575 -4.727 -9.599 -6.344 1.00 0.00 O ATOM 419 NE2 GLN A 575 -5.987 -10.432 -7.987 1.00 0.00 N ATOM 0 H GLN A 575 -7.776 -6.944 -4.543 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.214 -8.077 -4.681 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.851 -6.330 -6.543 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.265 -6.924 -6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -7.513 -8.764 -6.131 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.280 -8.271 -7.797 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -6.839 -10.357 -8.543 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -5.328 -11.190 -8.163 1.00 0.00 H new ATOM 428 N LEU A 576 -5.350 -4.815 -4.427 1.00 0.00 N ATOM 429 CA LEU A 576 -4.591 -3.613 -4.149 1.00 0.00 C ATOM 430 C LEU A 576 -3.913 -3.690 -2.778 1.00 0.00 C ATOM 431 O LEU A 576 -2.793 -3.219 -2.611 1.00 0.00 O ATOM 432 CB LEU A 576 -5.519 -2.409 -4.228 1.00 0.00 C ATOM 433 CG LEU A 576 -4.941 -1.104 -3.705 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.944 -0.518 -4.695 1.00 0.00 C ATOM 435 CD2 LEU A 576 -6.057 -0.119 -3.399 1.00 0.00 C ATOM 0 H LEU A 576 -6.361 -4.678 -4.431 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.801 -3.511 -4.893 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.812 -2.266 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.427 -2.634 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.404 -1.308 -2.779 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.544 0.415 -4.299 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.129 -1.225 -4.852 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.444 -0.325 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.629 0.811 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.624 0.082 -4.308 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.719 -0.543 -2.644 1.00 0.00 H new ATOM 447 N LEU A 577 -4.595 -4.281 -1.803 1.00 0.00 N ATOM 448 CA LEU A 577 -4.016 -4.483 -0.479 1.00 0.00 C ATOM 449 C LEU A 577 -2.768 -5.330 -0.564 1.00 0.00 C ATOM 450 O LEU A 577 -1.699 -4.913 -0.131 1.00 0.00 O ATOM 451 CB LEU A 577 -5.015 -5.142 0.476 1.00 0.00 C ATOM 452 CG LEU A 577 -5.898 -4.197 1.300 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.556 -2.734 1.047 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.369 -4.464 1.031 1.00 0.00 C ATOM 0 H LEU A 577 -5.549 -4.628 -1.904 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.759 -3.499 -0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.665 -5.795 -0.107 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.460 -5.778 1.165 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.697 -4.398 2.352 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.205 -2.099 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.516 -2.551 1.318 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.702 -2.503 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.977 -3.783 1.626 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.579 -4.309 -0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.607 -5.493 1.301 1.00 0.00 H new ATOM 466 N GLU A 578 -2.889 -6.513 -1.136 1.00 0.00 N ATOM 467 CA GLU A 578 -1.737 -7.385 -1.252 1.00 0.00 C ATOM 468 C GLU A 578 -0.690 -6.758 -2.172 1.00 0.00 C ATOM 469 O GLU A 578 0.503 -7.022 -2.029 1.00 0.00 O ATOM 470 CB GLU A 578 -2.141 -8.782 -1.733 1.00 0.00 C ATOM 471 CG GLU A 578 -2.907 -8.797 -3.041 1.00 0.00 C ATOM 472 CD GLU A 578 -3.271 -10.200 -3.468 1.00 0.00 C ATOM 473 OE1 GLU A 578 -2.377 -10.928 -3.948 1.00 0.00 O ATOM 474 OE2 GLU A 578 -4.443 -10.592 -3.299 1.00 0.00 O ATOM 0 H GLU A 578 -3.756 -6.887 -1.521 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.295 -7.503 -0.263 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.242 -9.388 -1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.751 -9.256 -0.964 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.815 -8.203 -2.936 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.306 -8.326 -3.819 1.00 0.00 H new ATOM 481 N ASP A 579 -1.145 -5.907 -3.096 1.00 0.00 N ATOM 482 CA ASP A 579 -0.241 -5.128 -3.939 1.00 0.00 C ATOM 483 C ASP A 579 0.635 -4.252 -3.074 1.00 0.00 C ATOM 484 O ASP A 579 1.853 -4.325 -3.128 1.00 0.00 O ATOM 485 CB ASP A 579 -1.005 -4.202 -4.884 1.00 0.00 C ATOM 486 CG ASP A 579 -0.186 -3.825 -6.101 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.179 -4.593 -7.085 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.454 -2.753 -6.084 1.00 0.00 O ATOM 0 H ASP A 579 -2.135 -5.742 -3.277 1.00 0.00 H new ATOM 0 HA ASP A 579 0.347 -5.840 -4.518 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.925 -4.691 -5.204 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.295 -3.298 -4.349 1.00 0.00 H new ATOM 493 N LEU A 580 -0.021 -3.430 -2.268 1.00 0.00 N ATOM 494 CA LEU A 580 0.648 -2.439 -1.442 1.00 0.00 C ATOM 495 C LEU A 580 1.447 -3.095 -0.329 1.00 0.00 C ATOM 496 O LEU A 580 2.472 -2.570 0.098 1.00 0.00 O ATOM 497 CB LEU A 580 -0.384 -1.486 -0.848 1.00 0.00 C ATOM 498 CG LEU A 580 -1.272 -0.792 -1.874 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.390 -0.040 -1.179 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.450 0.142 -2.749 1.00 0.00 C ATOM 0 H LEU A 580 -1.036 -3.433 -2.169 1.00 0.00 H new ATOM 0 HA LEU A 580 1.343 -1.883 -2.072 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -1.017 -2.042 -0.156 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.136 -0.727 -0.264 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.718 -1.550 -2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -3.016 0.451 -1.924 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.994 -0.739 -0.601 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.964 0.710 -0.512 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -1.102 0.628 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.027 0.899 -2.126 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.315 -0.430 -3.274 1.00 0.00 H new ATOM 512 N GLU A 581 0.976 -4.240 0.138 1.00 0.00 N ATOM 513 CA GLU A 581 1.683 -4.984 1.166 1.00 0.00 C ATOM 514 C GLU A 581 2.970 -5.554 0.596 1.00 0.00 C ATOM 515 O GLU A 581 4.043 -5.392 1.170 1.00 0.00 O ATOM 516 CB GLU A 581 0.815 -6.110 1.717 1.00 0.00 C ATOM 517 CG GLU A 581 1.370 -6.703 3.002 1.00 0.00 C ATOM 518 CD GLU A 581 0.512 -7.812 3.568 1.00 0.00 C ATOM 519 OE1 GLU A 581 0.486 -8.907 2.974 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.136 -7.594 4.614 1.00 0.00 O ATOM 0 H GLU A 581 0.108 -4.673 -0.178 1.00 0.00 H new ATOM 0 HA GLU A 581 1.919 -4.303 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.190 -5.731 1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.727 -6.896 0.967 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.372 -7.089 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.468 -5.913 3.746 1.00 0.00 H new ATOM 527 N ALA A 582 2.850 -6.210 -0.549 1.00 0.00 N ATOM 528 CA ALA A 582 4.009 -6.736 -1.260 1.00 0.00 C ATOM 529 C ALA A 582 4.906 -5.591 -1.714 1.00 0.00 C ATOM 530 O ALA A 582 6.119 -5.735 -1.820 1.00 0.00 O ATOM 531 CB ALA A 582 3.554 -7.558 -2.455 1.00 0.00 C ATOM 0 H ALA A 582 1.958 -6.392 -1.008 1.00 0.00 H new ATOM 0 HA ALA A 582 4.578 -7.379 -0.589 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.425 -7.948 -2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 582 2.936 -8.388 -2.112 1.00 0.00 H new ATOM 0 HB3 ALA A 582 2.974 -6.929 -3.130 1.00 0.00 H new ATOM 537 N LYS A 583 4.285 -4.450 -1.966 1.00 0.00 N ATOM 538 CA LYS A 583 4.989 -3.244 -2.363 1.00 0.00 C ATOM 539 C LYS A 583 5.844 -2.746 -1.206 1.00 0.00 C ATOM 540 O LYS A 583 7.036 -2.498 -1.363 1.00 0.00 O ATOM 541 CB LYS A 583 3.974 -2.179 -2.777 1.00 0.00 C ATOM 542 CG LYS A 583 4.591 -0.926 -3.361 1.00 0.00 C ATOM 543 CD LYS A 583 3.523 0.058 -3.795 1.00 0.00 C ATOM 544 CE LYS A 583 4.132 1.252 -4.501 1.00 0.00 C ATOM 545 NZ LYS A 583 4.986 2.060 -3.596 1.00 0.00 N ATOM 0 H LYS A 583 3.274 -4.335 -1.900 1.00 0.00 H new ATOM 0 HA LYS A 583 5.641 -3.459 -3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.291 -2.609 -3.510 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.377 -1.905 -1.907 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.241 -0.459 -2.622 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.216 -1.189 -4.214 1.00 0.00 H new ATOM 0 HD2 LYS A 583 2.816 -0.439 -4.459 1.00 0.00 H new ATOM 0 HD3 LYS A 583 2.960 0.395 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 583 4.726 0.908 -5.348 1.00 0.00 H new ATOM 0 HE3 LYS A 583 3.336 1.879 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 5.076 3.025 -3.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 4.553 2.097 -2.651 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 5.928 1.625 -3.528 1.00 0.00 H new ATOM 559 N LEU A 584 5.221 -2.622 -0.041 1.00 0.00 N ATOM 560 CA LEU A 584 5.916 -2.234 1.173 1.00 0.00 C ATOM 561 C LEU A 584 7.024 -3.243 1.471 1.00 0.00 C ATOM 562 O LEU A 584 8.165 -2.867 1.725 1.00 0.00 O ATOM 563 CB LEU A 584 4.901 -2.141 2.328 1.00 0.00 C ATOM 564 CG LEU A 584 5.438 -1.659 3.683 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.092 -2.799 4.446 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.418 -0.510 3.493 1.00 0.00 C ATOM 0 H LEU A 584 4.223 -2.788 0.086 1.00 0.00 H new ATOM 0 HA LEU A 584 6.381 -1.256 1.051 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.099 -1.470 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.456 -3.126 2.470 1.00 0.00 H new ATOM 0 HG LEU A 584 4.594 -1.299 4.272 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.464 -2.431 5.402 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.360 -3.587 4.621 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.922 -3.198 3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.787 -0.182 4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.255 -0.844 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.914 0.320 2.998 1.00 0.00 H new ATOM 578 N GLU A 585 6.674 -4.522 1.403 1.00 0.00 N ATOM 579 CA GLU A 585 7.628 -5.615 1.581 1.00 0.00 C ATOM 580 C GLU A 585 8.832 -5.452 0.644 1.00 0.00 C ATOM 581 O GLU A 585 9.986 -5.571 1.062 1.00 0.00 O ATOM 582 CB GLU A 585 6.910 -6.942 1.301 1.00 0.00 C ATOM 583 CG GLU A 585 7.785 -8.177 1.408 1.00 0.00 C ATOM 584 CD GLU A 585 8.263 -8.431 2.819 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.408 -8.602 3.714 1.00 0.00 O ATOM 586 OE2 GLU A 585 9.490 -8.461 3.046 1.00 0.00 O ATOM 0 H GLU A 585 5.719 -4.833 1.223 1.00 0.00 H new ATOM 0 HA GLU A 585 8.004 -5.603 2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.078 -7.042 1.998 1.00 0.00 H new ATOM 0 HB3 GLU A 585 6.483 -6.903 0.299 1.00 0.00 H new ATOM 0 HG2 GLU A 585 7.227 -9.045 1.056 1.00 0.00 H new ATOM 0 HG3 GLU A 585 8.647 -8.065 0.751 1.00 0.00 H new ATOM 593 N ALA A 586 8.548 -5.143 -0.615 1.00 0.00 N ATOM 594 CA ALA A 586 9.580 -5.020 -1.640 1.00 0.00 C ATOM 595 C ALA A 586 10.463 -3.798 -1.414 1.00 0.00 C ATOM 596 O ALA A 586 11.628 -3.779 -1.806 1.00 0.00 O ATOM 597 CB ALA A 586 8.935 -4.946 -3.015 1.00 0.00 C ATOM 0 H ALA A 586 7.602 -4.971 -0.954 1.00 0.00 H new ATOM 0 HA ALA A 586 10.216 -5.903 -1.578 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.710 -4.854 -3.776 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.356 -5.852 -3.194 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.276 -4.079 -3.062 1.00 0.00 H new ATOM 603 N LEU A 587 9.905 -2.777 -0.790 1.00 0.00 N ATOM 604 CA LEU A 587 10.634 -1.542 -0.548 1.00 0.00 C ATOM 605 C LEU A 587 11.397 -1.612 0.770 1.00 0.00 C ATOM 606 O LEU A 587 12.540 -1.165 0.862 1.00 0.00 O ATOM 607 CB LEU A 587 9.662 -0.364 -0.546 1.00 0.00 C ATOM 608 CG LEU A 587 8.883 -0.185 -1.850 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.709 0.751 -1.643 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.794 0.342 -2.948 1.00 0.00 C ATOM 0 H LEU A 587 8.947 -2.777 -0.440 1.00 0.00 H new ATOM 0 HA LEU A 587 11.362 -1.401 -1.347 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.953 -0.495 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.219 0.550 -0.341 1.00 0.00 H new ATOM 0 HG LEU A 587 8.500 -1.158 -2.157 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.166 0.867 -2.581 1.00 0.00 H new ATOM 0 HD12 LEU A 587 7.042 0.337 -0.887 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.073 1.724 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.222 0.463 -3.868 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.206 1.305 -2.648 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.607 -0.364 -3.116 1.00 0.00 H new ATOM 622 N GLN A 588 10.775 -2.219 1.771 1.00 0.00 N ATOM 623 CA GLN A 588 11.368 -2.334 3.096 1.00 0.00 C ATOM 624 C GLN A 588 12.614 -3.201 3.067 1.00 0.00 C ATOM 625 O GLN A 588 13.493 -3.058 3.908 1.00 0.00 O ATOM 626 CB GLN A 588 10.349 -2.918 4.076 1.00 0.00 C ATOM 627 CG GLN A 588 9.425 -1.881 4.692 1.00 0.00 C ATOM 628 CD GLN A 588 10.042 -1.174 5.885 1.00 0.00 C ATOM 629 OE1 GLN A 588 9.762 -0.003 6.142 1.00 0.00 O ATOM 630 NE2 GLN A 588 10.853 -1.889 6.649 1.00 0.00 N ATOM 0 H GLN A 588 9.851 -2.643 1.689 1.00 0.00 H new ATOM 0 HA GLN A 588 11.657 -1.336 3.425 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.747 -3.665 3.558 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.882 -3.436 4.874 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.160 -1.142 3.935 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.499 -2.365 5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 588 11.062 -2.857 6.405 1.00 0.00 H new ATOM 0 HE22 GLN A 588 11.269 -1.472 7.482 1.00 0.00 H new ATOM 639 N THR A 589 12.690 -4.098 2.093 1.00 0.00 N ATOM 640 CA THR A 589 13.834 -4.984 1.977 1.00 0.00 C ATOM 641 C THR A 589 15.000 -4.279 1.282 1.00 0.00 C ATOM 642 O THR A 589 16.158 -4.655 1.462 1.00 0.00 O ATOM 643 CB THR A 589 13.460 -6.281 1.224 1.00 0.00 C ATOM 644 OG1 THR A 589 14.488 -7.265 1.387 1.00 0.00 O ATOM 645 CG2 THR A 589 13.242 -6.016 -0.258 1.00 0.00 C ATOM 0 H THR A 589 11.976 -4.229 1.377 1.00 0.00 H new ATOM 0 HA THR A 589 14.147 -5.256 2.985 1.00 0.00 H new ATOM 0 HB THR A 589 12.528 -6.653 1.650 1.00 0.00 H new ATOM 0 HG1 THR A 589 14.238 -8.082 0.907 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.980 -6.948 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.433 -5.297 -0.384 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.156 -5.614 -0.694 1.00 0.00 H new ATOM 653 N GLN A 590 14.694 -3.249 0.500 1.00 0.00 N ATOM 654 CA GLN A 590 15.730 -2.413 -0.087 1.00 0.00 C ATOM 655 C GLN A 590 16.327 -1.561 1.011 1.00 0.00 C ATOM 656 O GLN A 590 17.536 -1.525 1.217 1.00 0.00 O ATOM 657 CB GLN A 590 15.148 -1.492 -1.163 1.00 0.00 C ATOM 658 CG GLN A 590 14.355 -2.206 -2.236 1.00 0.00 C ATOM 659 CD GLN A 590 15.200 -3.147 -3.070 1.00 0.00 C ATOM 660 OE1 GLN A 590 15.347 -4.323 -2.744 1.00 0.00 O ATOM 661 NE2 GLN A 590 15.753 -2.636 -4.157 1.00 0.00 N ATOM 0 H GLN A 590 13.741 -2.976 0.260 1.00 0.00 H new ATOM 0 HA GLN A 590 16.484 -3.051 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 590 14.505 -0.754 -0.683 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.964 -0.944 -1.635 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.547 -2.769 -1.769 1.00 0.00 H new ATOM 0 HG3 GLN A 590 13.891 -1.467 -2.890 1.00 0.00 H new ATOM 0 HE21 GLN A 590 15.605 -1.654 -4.391 1.00 0.00 H new ATOM 0 HE22 GLN A 590 16.327 -3.224 -4.762 1.00 0.00 H new ATOM 670 N VAL A 591 15.430 -0.917 1.736 1.00 0.00 N ATOM 671 CA VAL A 591 15.777 -0.010 2.814 1.00 0.00 C ATOM 672 C VAL A 591 16.362 -0.772 4.004 1.00 0.00 C ATOM 673 O VAL A 591 17.002 -0.190 4.879 1.00 0.00 O ATOM 674 CB VAL A 591 14.517 0.771 3.238 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.832 1.846 4.261 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.850 1.376 2.011 1.00 0.00 C ATOM 0 H VAL A 591 14.425 -1.011 1.590 1.00 0.00 H new ATOM 0 HA VAL A 591 16.538 0.687 2.464 1.00 0.00 H new ATOM 0 HB VAL A 591 13.831 0.070 3.714 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.916 2.371 4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.263 1.387 5.151 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.544 2.554 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 591 12.960 1.927 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.545 2.054 1.516 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.566 0.581 1.322 1.00 0.00 H new ATOM 686 N ALA A 592 16.150 -2.084 4.016 1.00 0.00 N ATOM 687 CA ALA A 592 16.678 -2.936 5.072 1.00 0.00 C ATOM 688 C ALA A 592 18.199 -2.965 5.026 1.00 0.00 C ATOM 689 O ALA A 592 18.866 -2.968 6.062 1.00 0.00 O ATOM 690 CB ALA A 592 16.126 -4.350 4.953 1.00 0.00 C ATOM 0 H ALA A 592 15.615 -2.580 3.304 1.00 0.00 H new ATOM 0 HA ALA A 592 16.363 -2.520 6.029 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.534 -4.968 5.752 1.00 0.00 H new ATOM 0 HB2 ALA A 592 15.039 -4.324 5.033 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.409 -4.771 3.988 1.00 0.00 H new ATOM 696 N ASP A 593 18.741 -2.969 3.817 1.00 0.00 N ATOM 697 CA ASP A 593 20.185 -3.051 3.628 1.00 0.00 C ATOM 698 C ASP A 593 20.833 -1.680 3.795 1.00 0.00 C ATOM 699 O ASP A 593 20.308 -0.668 3.333 1.00 0.00 O ATOM 700 CB ASP A 593 20.508 -3.604 2.240 1.00 0.00 C ATOM 701 CG ASP A 593 21.900 -4.204 2.169 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.889 -3.468 2.374 1.00 0.00 O ATOM 703 OD2 ASP A 593 22.010 -5.418 1.904 1.00 0.00 O ATOM 0 H ASP A 593 18.204 -2.916 2.951 1.00 0.00 H new ATOM 0 HA ASP A 593 20.586 -3.723 4.386 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.773 -4.364 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 593 20.421 -2.805 1.504 1.00 0.00 H new ATOM 708 N ALA A 594 21.986 -1.663 4.454 1.00 0.00 N ATOM 709 CA ALA A 594 22.732 -0.430 4.678 1.00 0.00 C ATOM 710 C ALA A 594 23.313 0.102 3.376 1.00 0.00 C ATOM 711 O ALA A 594 23.657 1.282 3.268 1.00 0.00 O ATOM 712 CB ALA A 594 23.847 -0.666 5.679 1.00 0.00 C ATOM 0 H ALA A 594 22.427 -2.495 4.845 1.00 0.00 H new ATOM 0 HA ALA A 594 22.041 0.313 5.076 1.00 0.00 H new ATOM 0 HB1 ALA A 594 24.396 0.262 5.837 1.00 0.00 H new ATOM 0 HB2 ALA A 594 23.422 -1.002 6.625 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.525 -1.428 5.295 1.00 0.00 H new ATOM 718 N SER A 595 23.424 -0.778 2.389 1.00 0.00 N ATOM 719 CA SER A 595 23.941 -0.406 1.083 1.00 0.00 C ATOM 720 C SER A 595 22.912 0.419 0.317 1.00 0.00 C ATOM 721 O SER A 595 23.226 1.046 -0.698 1.00 0.00 O ATOM 722 CB SER A 595 24.305 -1.659 0.294 1.00 0.00 C ATOM 723 OG SER A 595 25.057 -2.559 1.090 1.00 0.00 O ATOM 0 H SER A 595 23.160 -1.760 2.472 1.00 0.00 H new ATOM 0 HA SER A 595 24.836 0.201 1.220 1.00 0.00 H new ATOM 0 HB2 SER A 595 23.397 -2.149 -0.056 1.00 0.00 H new ATOM 0 HB3 SER A 595 24.879 -1.382 -0.590 1.00 0.00 H new ATOM 0 HG SER A 595 24.448 -3.103 1.632 1.00 0.00 H new ATOM 729 N PHE A 596 21.679 0.415 0.811 1.00 0.00 N ATOM 730 CA PHE A 596 20.620 1.220 0.224 1.00 0.00 C ATOM 731 C PHE A 596 20.954 2.702 0.343 1.00 0.00 C ATOM 732 O PHE A 596 20.951 3.431 -0.645 1.00 0.00 O ATOM 733 CB PHE A 596 19.282 0.925 0.903 1.00 0.00 C ATOM 734 CG PHE A 596 18.207 1.908 0.548 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.650 1.918 -0.718 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.764 2.829 1.482 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.674 2.833 -1.047 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.790 3.747 1.157 1.00 0.00 C ATOM 739 CZ PHE A 596 16.240 3.747 -0.107 1.00 0.00 C ATOM 0 H PHE A 596 21.390 -0.138 1.618 1.00 0.00 H new ATOM 0 HA PHE A 596 20.537 0.962 -0.832 1.00 0.00 H new ATOM 0 HB2 PHE A 596 18.955 -0.077 0.625 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.423 0.926 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 596 17.983 1.202 -1.455 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.187 2.828 2.476 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.248 2.836 -2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.458 4.466 1.891 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.471 4.461 -0.362 1.00 0.00 H new ATOM 749 N PHE A 597 21.289 3.129 1.556 1.00 0.00 N ATOM 750 CA PHE A 597 21.587 4.535 1.825 1.00 0.00 C ATOM 751 C PHE A 597 22.957 4.922 1.277 1.00 0.00 C ATOM 752 O PHE A 597 23.464 6.007 1.553 1.00 0.00 O ATOM 753 CB PHE A 597 21.534 4.820 3.325 1.00 0.00 C ATOM 754 CG PHE A 597 20.186 4.594 3.943 1.00 0.00 C ATOM 755 CD1 PHE A 597 19.222 5.588 3.911 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.884 3.391 4.561 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.984 5.389 4.485 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.646 3.185 5.136 1.00 0.00 C ATOM 759 CZ PHE A 597 17.694 4.186 5.098 1.00 0.00 C ATOM 0 H PHE A 597 21.362 2.521 2.372 1.00 0.00 H new ATOM 0 HA PHE A 597 20.829 5.134 1.321 1.00 0.00 H new ATOM 0 HB2 PHE A 597 22.264 4.188 3.830 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.833 5.854 3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.442 6.530 3.431 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.625 2.606 4.593 1.00 0.00 H new ATOM 0 HE1 PHE A 597 17.242 6.173 4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.422 2.243 5.615 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.725 4.028 5.547 1.00 0.00 H new ATOM 769 N SER A 598 23.558 4.022 0.516 1.00 0.00 N ATOM 770 CA SER A 598 24.825 4.301 -0.131 1.00 0.00 C ATOM 771 C SER A 598 24.560 4.934 -1.491 1.00 0.00 C ATOM 772 O SER A 598 25.469 5.421 -2.164 1.00 0.00 O ATOM 773 CB SER A 598 25.634 3.013 -0.268 1.00 0.00 C ATOM 774 OG SER A 598 25.781 2.384 0.997 1.00 0.00 O ATOM 0 H SER A 598 23.186 3.090 0.332 1.00 0.00 H new ATOM 0 HA SER A 598 25.407 4.998 0.472 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.137 2.336 -0.962 1.00 0.00 H new ATOM 0 HB3 SER A 598 26.615 3.235 -0.687 1.00 0.00 H new ATOM 0 HG SER A 598 26.404 1.632 0.918 1.00 0.00 H new ATOM 780 N GLN A 599 23.290 4.921 -1.875 1.00 0.00 N ATOM 781 CA GLN A 599 22.837 5.561 -3.094 1.00 0.00 C ATOM 782 C GLN A 599 22.596 7.041 -2.851 1.00 0.00 C ATOM 783 O GLN A 599 22.342 7.464 -1.721 1.00 0.00 O ATOM 784 CB GLN A 599 21.550 4.899 -3.593 1.00 0.00 C ATOM 785 CG GLN A 599 21.769 3.527 -4.195 1.00 0.00 C ATOM 786 CD GLN A 599 20.487 2.727 -4.316 1.00 0.00 C ATOM 787 OE1 GLN A 599 20.134 1.971 -3.412 1.00 0.00 O ATOM 788 NE2 GLN A 599 19.780 2.886 -5.424 1.00 0.00 N ATOM 0 H GLN A 599 22.547 4.464 -1.346 1.00 0.00 H new ATOM 0 HA GLN A 599 23.610 5.448 -3.854 1.00 0.00 H new ATOM 0 HB2 GLN A 599 20.849 4.815 -2.763 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.085 5.544 -4.339 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.218 3.636 -5.182 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.480 2.975 -3.580 1.00 0.00 H new ATOM 0 HE21 GLN A 599 20.107 3.523 -6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 599 18.908 2.372 -5.551 1.00 0.00 H new ATOM 797 N PRO A 600 22.716 7.844 -3.911 1.00 0.00 N ATOM 798 CA PRO A 600 22.377 9.267 -3.876 1.00 0.00 C ATOM 799 C PRO A 600 20.971 9.514 -3.326 1.00 0.00 C ATOM 800 O PRO A 600 20.059 8.703 -3.509 1.00 0.00 O ATOM 801 CB PRO A 600 22.450 9.681 -5.343 1.00 0.00 C ATOM 802 CG PRO A 600 23.396 8.717 -5.969 1.00 0.00 C ATOM 803 CD PRO A 600 23.231 7.422 -5.225 1.00 0.00 C ATOM 0 HA PRO A 600 23.044 9.830 -3.223 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.469 9.634 -5.815 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.805 10.706 -5.447 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.175 8.588 -7.029 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.422 9.078 -5.899 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.536 6.753 -5.733 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.177 6.889 -5.133 1.00 0.00 H new ATOM 811 N HIS A 601 20.828 10.658 -2.661 1.00 0.00 N ATOM 812 CA HIS A 601 19.598 11.069 -1.974 1.00 0.00 C ATOM 813 C HIS A 601 18.378 10.983 -2.877 1.00 0.00 C ATOM 814 O HIS A 601 17.282 10.689 -2.416 1.00 0.00 O ATOM 815 CB HIS A 601 19.775 12.513 -1.496 1.00 0.00 C ATOM 816 CG HIS A 601 18.697 13.053 -0.606 1.00 0.00 C ATOM 817 ND1 HIS A 601 18.765 13.009 0.769 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.554 13.715 -0.904 1.00 0.00 C ATOM 819 CE1 HIS A 601 17.714 13.623 1.280 1.00 0.00 C ATOM 820 NE2 HIS A 601 16.963 14.063 0.287 1.00 0.00 N ATOM 0 H HIS A 601 21.579 11.343 -2.581 1.00 0.00 H new ATOM 0 HA HIS A 601 19.429 10.392 -1.137 1.00 0.00 H new ATOM 0 HB2 HIS A 601 20.725 12.584 -0.966 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.850 13.157 -2.372 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.177 13.930 -1.893 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.504 13.745 2.332 1.00 0.00 H new ATOM 0 HE2 HIS A 601 16.088 14.577 0.387 1.00 0.00 H new ATOM 829 N GLU A 602 18.566 11.255 -4.156 1.00 0.00 N ATOM 830 CA GLU A 602 17.459 11.281 -5.095 1.00 0.00 C ATOM 831 C GLU A 602 16.984 9.865 -5.419 1.00 0.00 C ATOM 832 O GLU A 602 15.838 9.660 -5.817 1.00 0.00 O ATOM 833 CB GLU A 602 17.875 12.014 -6.367 1.00 0.00 C ATOM 834 CG GLU A 602 18.648 13.296 -6.092 1.00 0.00 C ATOM 835 CD GLU A 602 20.147 13.108 -6.206 1.00 0.00 C ATOM 836 OE1 GLU A 602 20.718 12.350 -5.396 1.00 0.00 O ATOM 837 OE2 GLU A 602 20.759 13.724 -7.103 1.00 0.00 O ATOM 0 H GLU A 602 19.476 11.461 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 602 16.626 11.814 -4.636 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.488 11.351 -6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 602 16.985 12.251 -6.950 1.00 0.00 H new ATOM 0 HG2 GLU A 602 18.328 14.067 -6.793 1.00 0.00 H new ATOM 0 HG3 GLU A 602 18.406 13.655 -5.092 1.00 0.00 H new ATOM 844 N GLN A 603 17.871 8.895 -5.230 1.00 0.00 N ATOM 845 CA GLN A 603 17.536 7.489 -5.433 1.00 0.00 C ATOM 846 C GLN A 603 16.878 6.945 -4.182 1.00 0.00 C ATOM 847 O GLN A 603 15.842 6.284 -4.231 1.00 0.00 O ATOM 848 CB GLN A 603 18.797 6.662 -5.696 1.00 0.00 C ATOM 849 CG GLN A 603 19.772 7.306 -6.655 1.00 0.00 C ATOM 850 CD GLN A 603 19.259 7.328 -8.082 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.513 6.441 -8.496 1.00 0.00 O ATOM 852 NE2 GLN A 603 19.645 8.344 -8.839 1.00 0.00 N ATOM 0 H GLN A 603 18.834 9.057 -4.935 1.00 0.00 H new ATOM 0 HA GLN A 603 16.867 7.420 -6.291 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.303 6.481 -4.748 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.504 5.690 -6.092 1.00 0.00 H new ATOM 0 HG2 GLN A 603 19.975 8.326 -6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 603 20.719 6.767 -6.622 1.00 0.00 H new ATOM 0 HE21 GLN A 603 20.264 9.058 -8.457 1.00 0.00 H new ATOM 0 HE22 GLN A 603 19.323 8.412 -9.804 1.00 0.00 H new ATOM 861 N THR A 604 17.504 7.244 -3.059 1.00 0.00 N ATOM 862 CA THR A 604 17.107 6.698 -1.783 1.00 0.00 C ATOM 863 C THR A 604 15.791 7.283 -1.307 1.00 0.00 C ATOM 864 O THR A 604 14.887 6.548 -0.926 1.00 0.00 O ATOM 865 CB THR A 604 18.199 6.946 -0.741 1.00 0.00 C ATOM 866 OG1 THR A 604 18.507 8.345 -0.680 1.00 0.00 O ATOM 867 CG2 THR A 604 19.448 6.156 -1.101 1.00 0.00 C ATOM 0 H THR A 604 18.304 7.875 -3.010 1.00 0.00 H new ATOM 0 HA THR A 604 16.966 5.625 -1.912 1.00 0.00 H new ATOM 0 HB THR A 604 17.840 6.618 0.235 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.206 8.497 -0.010 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.221 6.338 -0.354 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.211 5.092 -1.127 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.808 6.471 -2.080 1.00 0.00 H new ATOM 875 N GLN A 605 15.675 8.603 -1.346 1.00 0.00 N ATOM 876 CA GLN A 605 14.447 9.262 -0.933 1.00 0.00 C ATOM 877 C GLN A 605 13.295 8.865 -1.838 1.00 0.00 C ATOM 878 O GLN A 605 12.147 8.862 -1.415 1.00 0.00 O ATOM 879 CB GLN A 605 14.615 10.777 -0.926 1.00 0.00 C ATOM 880 CG GLN A 605 15.474 11.291 0.214 1.00 0.00 C ATOM 881 CD GLN A 605 14.948 10.914 1.590 1.00 0.00 C ATOM 882 OE1 GLN A 605 15.722 10.740 2.531 1.00 0.00 O ATOM 883 NE2 GLN A 605 13.633 10.798 1.723 1.00 0.00 N ATOM 0 H GLN A 605 16.413 9.235 -1.658 1.00 0.00 H new ATOM 0 HA GLN A 605 14.220 8.938 0.083 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.058 11.089 -1.872 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.631 11.242 -0.866 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.485 10.900 0.101 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.543 12.377 0.145 1.00 0.00 H new ATOM 0 HE21 GLN A 605 13.024 10.950 0.919 1.00 0.00 H new ATOM 0 HE22 GLN A 605 13.231 10.557 2.629 1.00 0.00 H new ATOM 892 N LYS A 606 13.610 8.531 -3.081 1.00 0.00 N ATOM 893 CA LYS A 606 12.629 7.988 -3.999 1.00 0.00 C ATOM 894 C LYS A 606 12.026 6.725 -3.401 1.00 0.00 C ATOM 895 O LYS A 606 10.808 6.593 -3.292 1.00 0.00 O ATOM 896 CB LYS A 606 13.308 7.689 -5.339 1.00 0.00 C ATOM 897 CG LYS A 606 12.383 7.180 -6.431 1.00 0.00 C ATOM 898 CD LYS A 606 12.191 5.674 -6.350 1.00 0.00 C ATOM 899 CE LYS A 606 11.483 5.126 -7.578 1.00 0.00 C ATOM 900 NZ LYS A 606 10.106 5.671 -7.738 1.00 0.00 N ATOM 0 H LYS A 606 14.545 8.629 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 606 11.828 8.708 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 606 13.796 8.598 -5.692 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.092 6.950 -5.174 1.00 0.00 H new ATOM 0 HG2 LYS A 606 11.415 7.675 -6.348 1.00 0.00 H new ATOM 0 HG3 LYS A 606 12.793 7.442 -7.406 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.162 5.189 -6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 606 11.614 5.429 -5.459 1.00 0.00 H new ATOM 0 HE2 LYS A 606 12.069 5.363 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 606 11.434 4.039 -7.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 9.650 5.227 -8.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 9.551 5.467 -6.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 10.154 6.700 -7.883 1.00 0.00 H new ATOM 914 N VAL A 607 12.899 5.819 -2.988 1.00 0.00 N ATOM 915 CA VAL A 607 12.479 4.550 -2.409 1.00 0.00 C ATOM 916 C VAL A 607 11.877 4.753 -1.019 1.00 0.00 C ATOM 917 O VAL A 607 10.848 4.173 -0.698 1.00 0.00 O ATOM 918 CB VAL A 607 13.655 3.555 -2.323 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.188 2.214 -1.770 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.302 3.374 -3.689 1.00 0.00 C ATOM 0 H VAL A 607 13.910 5.940 -3.043 1.00 0.00 H new ATOM 0 HA VAL A 607 11.717 4.133 -3.068 1.00 0.00 H new ATOM 0 HB VAL A 607 14.400 3.964 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.033 1.528 -1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.774 2.356 -0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.422 1.797 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.129 2.669 -3.609 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.564 2.989 -4.393 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.676 4.334 -4.044 1.00 0.00 H new ATOM 930 N LEU A 608 12.520 5.591 -0.209 1.00 0.00 N ATOM 931 CA LEU A 608 12.049 5.887 1.144 1.00 0.00 C ATOM 932 C LEU A 608 10.640 6.468 1.119 1.00 0.00 C ATOM 933 O LEU A 608 9.754 6.013 1.844 1.00 0.00 O ATOM 934 CB LEU A 608 13.003 6.869 1.835 1.00 0.00 C ATOM 935 CG LEU A 608 14.392 6.318 2.154 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.290 7.416 2.698 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.292 5.180 3.155 1.00 0.00 C ATOM 0 H LEU A 608 13.376 6.081 -0.468 1.00 0.00 H new ATOM 0 HA LEU A 608 12.027 4.952 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.116 7.747 1.200 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.542 7.205 2.764 1.00 0.00 H new ATOM 0 HG LEU A 608 14.830 5.937 1.232 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.275 7.004 2.919 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.386 8.208 1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.854 7.824 3.610 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.289 4.798 3.372 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.834 5.544 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.680 4.381 2.737 1.00 0.00 H new ATOM 949 N ALA A 609 10.436 7.464 0.268 1.00 0.00 N ATOM 950 CA ALA A 609 9.142 8.118 0.147 1.00 0.00 C ATOM 951 C ALA A 609 8.097 7.147 -0.393 1.00 0.00 C ATOM 952 O ALA A 609 6.963 7.105 0.090 1.00 0.00 O ATOM 953 CB ALA A 609 9.260 9.342 -0.750 1.00 0.00 C ATOM 0 H ALA A 609 11.155 7.838 -0.352 1.00 0.00 H new ATOM 0 HA ALA A 609 8.818 8.442 1.136 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.287 9.826 -0.835 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.976 10.041 -0.319 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.601 9.037 -1.739 1.00 0.00 H new ATOM 959 N ASP A 610 8.497 6.358 -1.385 1.00 0.00 N ATOM 960 CA ASP A 610 7.619 5.362 -1.990 1.00 0.00 C ATOM 961 C ASP A 610 7.279 4.266 -0.983 1.00 0.00 C ATOM 962 O ASP A 610 6.172 3.721 -0.983 1.00 0.00 O ATOM 963 CB ASP A 610 8.290 4.761 -3.227 1.00 0.00 C ATOM 964 CG ASP A 610 7.389 3.814 -3.989 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.335 4.255 -4.489 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.737 2.626 -4.117 1.00 0.00 O ATOM 0 H ASP A 610 9.433 6.390 -1.790 1.00 0.00 H new ATOM 0 HA ASP A 610 6.691 5.848 -2.292 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.604 5.567 -3.890 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.191 4.229 -2.922 1.00 0.00 H new ATOM 971 N MET A 611 8.243 3.956 -0.125 1.00 0.00 N ATOM 972 CA MET A 611 8.053 2.990 0.951 1.00 0.00 C ATOM 973 C MET A 611 7.000 3.481 1.932 1.00 0.00 C ATOM 974 O MET A 611 6.036 2.774 2.232 1.00 0.00 O ATOM 975 CB MET A 611 9.378 2.742 1.680 1.00 0.00 C ATOM 976 CG MET A 611 9.240 1.911 2.942 1.00 0.00 C ATOM 977 SD MET A 611 10.820 1.641 3.765 1.00 0.00 S ATOM 978 CE MET A 611 11.253 3.323 4.204 1.00 0.00 C ATOM 0 H MET A 611 9.177 4.366 -0.155 1.00 0.00 H new ATOM 0 HA MET A 611 7.709 2.052 0.515 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.067 2.241 1.000 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.826 3.702 1.936 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.557 2.410 3.629 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.795 0.948 2.692 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.924 3.314 5.063 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.750 3.803 3.361 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.349 3.878 4.456 1.00 0.00 H new ATOM 988 N ALA A 612 7.178 4.702 2.407 1.00 0.00 N ATOM 989 CA ALA A 612 6.252 5.284 3.362 1.00 0.00 C ATOM 990 C ALA A 612 4.881 5.497 2.735 1.00 0.00 C ATOM 991 O ALA A 612 3.861 5.450 3.418 1.00 0.00 O ATOM 992 CB ALA A 612 6.804 6.592 3.903 1.00 0.00 C ATOM 0 H ALA A 612 7.955 5.309 2.147 1.00 0.00 H new ATOM 0 HA ALA A 612 6.135 4.586 4.191 1.00 0.00 H new ATOM 0 HB1 ALA A 612 6.099 7.017 4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.757 6.407 4.399 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.953 7.292 3.081 1.00 0.00 H new ATOM 998 N ALA A 613 4.856 5.731 1.433 1.00 0.00 N ATOM 999 CA ALA A 613 3.599 5.884 0.719 1.00 0.00 C ATOM 1000 C ALA A 613 2.879 4.547 0.613 1.00 0.00 C ATOM 1001 O ALA A 613 1.654 4.484 0.673 1.00 0.00 O ATOM 1002 CB ALA A 613 3.840 6.471 -0.660 1.00 0.00 C ATOM 0 H ALA A 613 5.689 5.819 0.851 1.00 0.00 H new ATOM 0 HA ALA A 613 2.965 6.571 1.280 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.889 6.579 -1.181 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.313 7.448 -0.562 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.492 5.808 -1.229 1.00 0.00 H new ATOM 1008 N ALA A 614 3.657 3.480 0.480 1.00 0.00 N ATOM 1009 CA ALA A 614 3.106 2.141 0.336 1.00 0.00 C ATOM 1010 C ALA A 614 2.364 1.705 1.592 1.00 0.00 C ATOM 1011 O ALA A 614 1.225 1.247 1.514 1.00 0.00 O ATOM 1012 CB ALA A 614 4.209 1.149 0.001 1.00 0.00 C ATOM 0 H ALA A 614 4.676 3.518 0.469 1.00 0.00 H new ATOM 0 HA ALA A 614 2.388 2.162 -0.484 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.782 0.152 -0.104 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.687 1.439 -0.935 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.949 1.144 0.801 1.00 0.00 H new ATOM 1018 N GLU A 615 3.006 1.851 2.747 1.00 0.00 N ATOM 1019 CA GLU A 615 2.384 1.471 4.010 1.00 0.00 C ATOM 1020 C GLU A 615 1.146 2.317 4.279 1.00 0.00 C ATOM 1021 O GLU A 615 0.100 1.786 4.641 1.00 0.00 O ATOM 1022 CB GLU A 615 3.382 1.585 5.167 1.00 0.00 C ATOM 1023 CG GLU A 615 4.007 2.962 5.322 1.00 0.00 C ATOM 1024 CD GLU A 615 4.952 3.041 6.501 1.00 0.00 C ATOM 1025 OE1 GLU A 615 6.099 2.572 6.378 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.551 3.571 7.560 1.00 0.00 O ATOM 0 H GLU A 615 3.950 2.227 2.834 1.00 0.00 H new ATOM 0 HA GLU A 615 2.074 0.429 3.933 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.875 1.323 6.096 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.176 0.853 5.020 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.547 3.217 4.410 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.218 3.704 5.443 1.00 0.00 H new ATOM 1033 N GLN A 616 1.248 3.625 4.063 1.00 0.00 N ATOM 1034 CA GLN A 616 0.119 4.513 4.310 1.00 0.00 C ATOM 1035 C GLN A 616 -1.044 4.172 3.392 1.00 0.00 C ATOM 1036 O GLN A 616 -2.185 4.074 3.843 1.00 0.00 O ATOM 1037 CB GLN A 616 0.519 5.979 4.144 1.00 0.00 C ATOM 1038 CG GLN A 616 1.580 6.424 5.138 1.00 0.00 C ATOM 1039 CD GLN A 616 1.191 6.157 6.580 1.00 0.00 C ATOM 1040 OE1 GLN A 616 0.015 6.187 6.946 1.00 0.00 O ATOM 1041 NE2 GLN A 616 2.182 5.873 7.408 1.00 0.00 N ATOM 0 H GLN A 616 2.090 4.088 3.722 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.199 4.366 5.342 1.00 0.00 H new ATOM 0 HB2 GLN A 616 0.890 6.136 3.131 1.00 0.00 H new ATOM 0 HB3 GLN A 616 -0.365 6.606 4.260 1.00 0.00 H new ATOM 0 HG2 GLN A 616 2.515 5.908 4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 616 1.766 7.490 5.009 1.00 0.00 H new ATOM 0 HE21 GLN A 616 3.143 5.858 7.067 1.00 0.00 H new ATOM 0 HE22 GLN A 616 1.985 5.669 8.388 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.750 3.960 2.111 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.779 3.592 1.148 1.00 0.00 C ATOM 1052 C GLU A 617 -2.438 2.284 1.568 1.00 0.00 C ATOM 1053 O GLU A 617 -3.662 2.151 1.530 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.172 3.430 -0.246 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.205 3.293 -1.353 1.00 0.00 C ATOM 1056 CD GLU A 617 -2.781 4.627 -1.775 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -3.665 5.156 -1.067 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -2.353 5.155 -2.823 1.00 0.00 O ATOM 0 H GLU A 617 0.189 4.037 1.719 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.526 4.385 1.120 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.538 4.291 -0.458 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.528 2.551 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.747 2.809 -2.216 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.012 2.643 -1.014 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.606 1.333 1.986 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.063 0.007 2.377 1.00 0.00 C ATOM 1067 C LEU A 618 -3.090 0.074 3.501 1.00 0.00 C ATOM 1068 O LEU A 618 -4.217 -0.393 3.350 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.871 -0.845 2.822 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.220 -2.253 3.299 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.895 -3.034 2.193 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.025 -2.979 3.772 1.00 0.00 C ATOM 0 H LEU A 618 -0.597 1.462 2.062 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.541 -0.448 1.509 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.171 -0.924 1.991 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.353 -0.324 3.627 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.911 -2.170 4.138 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.137 -4.035 2.550 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.811 -2.524 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.224 -3.106 1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.243 -3.981 4.108 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.738 -3.051 2.951 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.476 -2.428 4.597 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.702 0.669 4.619 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.545 0.667 5.810 1.00 0.00 C ATOM 1086 C GLU A 619 -4.822 1.461 5.582 1.00 0.00 C ATOM 1087 O GLU A 619 -5.900 1.057 6.024 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.786 1.238 7.001 1.00 0.00 C ATOM 1089 CG GLU A 619 -1.334 0.815 7.032 1.00 0.00 C ATOM 1090 CD GLU A 619 -0.693 1.048 8.380 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.852 0.192 9.272 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.021 2.083 8.551 1.00 0.00 O ATOM 0 H GLU A 619 -1.814 1.158 4.729 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.817 -0.367 6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -2.842 2.326 6.973 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -3.272 0.918 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.261 -0.242 6.776 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -0.782 1.366 6.271 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.697 2.585 4.890 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.855 3.416 4.569 1.00 0.00 C ATOM 1101 C GLN A 620 -6.813 2.672 3.649 1.00 0.00 C ATOM 1102 O GLN A 620 -8.031 2.732 3.820 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.419 4.729 3.919 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.631 5.634 4.852 1.00 0.00 C ATOM 1105 CD GLN A 620 -5.390 5.962 6.126 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -5.269 5.261 7.133 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -6.190 7.020 6.091 1.00 0.00 N ATOM 0 H GLN A 620 -3.809 2.944 4.540 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.371 3.645 5.501 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -4.811 4.507 3.042 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -6.302 5.263 3.568 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.688 5.152 5.109 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -4.384 6.560 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -6.264 7.576 5.239 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -6.731 7.278 6.916 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.257 1.958 2.681 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.060 1.170 1.760 1.00 0.00 C ATOM 1118 C ALA A 621 -7.682 -0.017 2.480 1.00 0.00 C ATOM 1119 O ALA A 621 -8.770 -0.464 2.131 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.222 0.702 0.581 1.00 0.00 C ATOM 0 H ALA A 621 -5.252 1.909 2.514 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.862 1.801 1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.842 0.114 -0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.825 1.567 0.050 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.397 0.088 0.942 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.986 -0.513 3.494 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.474 -1.627 4.291 1.00 0.00 C ATOM 1128 C PHE A 622 -8.726 -1.243 5.071 1.00 0.00 C ATOM 1129 O PHE A 622 -9.728 -1.954 5.034 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.395 -2.105 5.255 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.869 -3.472 4.938 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.690 -4.582 5.051 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.556 -3.650 4.534 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.210 -5.846 4.769 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.072 -4.912 4.249 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.900 -6.011 4.366 1.00 0.00 C ATOM 0 H PHE A 622 -6.075 -0.157 3.784 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.729 -2.436 3.606 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.568 -1.395 5.242 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.799 -2.106 6.267 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.716 -4.458 5.363 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.904 -2.794 4.441 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.859 -6.704 4.864 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.047 -5.039 3.935 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.523 -6.998 4.143 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.679 -0.117 5.772 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.834 0.324 6.542 1.00 0.00 C ATOM 1148 C GLU A 623 -10.934 0.848 5.621 1.00 0.00 C ATOM 1149 O GLU A 623 -12.108 0.830 5.985 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.444 1.361 7.600 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.586 2.501 7.087 1.00 0.00 C ATOM 1152 CD GLU A 623 -8.195 3.456 8.195 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -7.184 3.198 8.875 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.914 4.452 8.414 1.00 0.00 O ATOM 0 H GLU A 623 -7.867 0.499 5.823 1.00 0.00 H new ATOM 0 HA GLU A 623 -10.229 -0.541 7.074 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -10.354 1.776 8.034 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -8.909 0.856 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.687 2.098 6.621 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -9.129 3.045 6.314 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.555 1.307 4.428 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.528 1.579 3.373 1.00 0.00 C ATOM 1163 C ARG A 624 -12.222 0.278 3.003 1.00 0.00 C ATOM 1164 O ARG A 624 -13.440 0.224 2.872 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.832 2.179 2.140 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.657 2.171 0.856 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.870 3.083 0.947 1.00 0.00 C ATOM 1168 NE ARG A 624 -13.384 3.439 -0.379 1.00 0.00 N ATOM 1169 CZ ARG A 624 -14.028 4.578 -0.653 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.245 5.470 0.306 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -14.436 4.829 -1.893 1.00 0.00 N ATOM 0 H ARG A 624 -9.587 1.497 4.170 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.262 2.301 3.731 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.552 3.208 2.366 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -9.908 1.629 1.962 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.030 2.485 0.021 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -11.985 1.153 0.643 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.654 2.589 1.520 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -12.603 3.990 1.489 1.00 0.00 H new ATOM 0 HE ARG A 624 -13.241 2.776 -1.141 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.920 5.287 1.255 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.737 6.338 0.093 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -14.258 4.153 -2.635 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.927 5.698 -2.102 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.424 -0.773 2.866 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.921 -2.089 2.506 1.00 0.00 C ATOM 1187 C TRP A 625 -12.881 -2.620 3.561 1.00 0.00 C ATOM 1188 O TRP A 625 -13.986 -3.052 3.241 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.751 -3.060 2.317 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.190 -4.440 1.952 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.555 -4.886 0.717 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.314 -5.550 2.837 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.908 -6.214 0.787 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.767 -6.642 2.082 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -11.086 -5.717 4.203 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.997 -7.892 2.651 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -11.313 -6.954 4.768 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.764 -8.026 3.996 1.00 0.00 C ATOM 0 H TRP A 625 -10.414 -0.734 3.002 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.467 -2.001 1.567 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.091 -2.677 1.539 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.168 -3.102 3.237 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.566 -4.287 -0.182 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.223 -6.786 0.004 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.738 -4.892 4.807 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.345 -8.724 2.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -11.139 -7.096 5.824 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.933 -8.982 4.468 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.462 -2.575 4.817 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.295 -3.062 5.907 1.00 0.00 C ATOM 1211 C GLU A 626 -14.534 -2.186 6.070 1.00 0.00 C ATOM 1212 O GLU A 626 -15.588 -2.668 6.475 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.500 -3.127 7.207 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.237 -3.961 7.095 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.608 -4.237 8.439 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -10.206 -3.274 9.124 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.530 -5.419 8.827 1.00 0.00 O ATOM 0 H GLU A 626 -11.555 -2.208 5.106 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.623 -4.072 5.662 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.234 -2.115 7.513 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -13.133 -3.541 7.992 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.471 -4.906 6.606 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.518 -3.443 6.460 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.402 -0.900 5.750 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.554 -0.004 5.683 1.00 0.00 C ATOM 1226 C TYR A 627 -16.538 -0.503 4.635 1.00 0.00 C ATOM 1227 O TYR A 627 -17.727 -0.625 4.902 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.104 1.437 5.374 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.105 2.281 4.593 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.422 2.451 5.021 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -15.721 2.904 3.409 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.317 3.214 4.293 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.611 3.669 2.681 1.00 0.00 C ATOM 1234 CZ TYR A 627 -17.905 3.818 3.124 1.00 0.00 C ATOM 1235 OH TYR A 627 -18.791 4.578 2.397 1.00 0.00 O ATOM 0 H TYR A 627 -13.510 -0.456 5.533 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.053 0.003 6.652 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -14.886 1.941 6.315 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.172 1.396 4.811 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.748 1.979 5.936 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -14.708 2.787 3.053 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.333 3.336 4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.292 4.149 1.767 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.342 4.933 1.602 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.030 -0.814 3.453 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.871 -1.295 2.368 1.00 0.00 C ATOM 1247 C LEU A 628 -17.493 -2.637 2.737 1.00 0.00 C ATOM 1248 O LEU A 628 -18.658 -2.893 2.440 1.00 0.00 O ATOM 1249 CB LEU A 628 -16.051 -1.421 1.084 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.292 -0.158 0.683 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.411 -0.423 -0.523 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.254 0.985 0.402 1.00 0.00 C ATOM 0 H LEU A 628 -15.039 -0.742 3.220 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.674 -0.577 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.336 -2.235 1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.719 -1.701 0.269 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.653 0.133 1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -13.879 0.489 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.691 -1.205 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.029 -0.744 -1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.690 1.874 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -16.924 0.705 -0.411 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.839 1.197 1.297 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.708 -3.485 3.391 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.204 -4.756 3.906 1.00 0.00 C ATOM 1266 C GLU A 629 -18.322 -4.532 4.916 1.00 0.00 C ATOM 1267 O GLU A 629 -19.390 -5.137 4.819 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.065 -5.551 4.546 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.260 -6.372 3.554 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.061 -7.521 2.982 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -16.768 -7.324 1.975 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -15.994 -8.633 3.548 1.00 0.00 O ATOM 0 H GLU A 629 -15.720 -3.314 3.578 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.607 -5.328 3.070 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.396 -4.861 5.060 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.479 -6.217 5.303 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -14.921 -5.728 2.743 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.369 -6.762 4.046 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.072 -3.656 5.878 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.058 -3.334 6.900 1.00 0.00 C ATOM 1281 C ALA A 630 -20.299 -2.705 6.283 1.00 0.00 C ATOM 1282 O ALA A 630 -21.422 -3.035 6.660 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.456 -2.401 7.934 1.00 0.00 C ATOM 0 H ALA A 630 -17.190 -3.153 5.973 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.355 -4.262 7.389 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.203 -2.168 8.693 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.599 -2.884 8.405 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.132 -1.480 7.449 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.083 -1.803 5.334 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.171 -1.134 4.631 1.00 0.00 C ATOM 1291 C LEU A 631 -22.025 -2.152 3.890 1.00 0.00 C ATOM 1292 O LEU A 631 -23.251 -2.124 3.963 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.612 -0.123 3.630 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.612 0.922 3.143 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.824 1.979 4.213 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.139 1.556 1.849 1.00 0.00 C ATOM 0 H LEU A 631 -19.153 -1.515 5.031 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.785 -0.614 5.366 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.767 0.390 4.088 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.226 -0.665 2.767 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.564 0.428 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.539 2.720 3.856 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.210 1.509 5.118 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.875 2.468 4.435 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -21.867 2.298 1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.176 2.040 2.012 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.034 0.787 1.084 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.352 -3.062 3.196 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.012 -4.113 2.433 1.00 0.00 C ATOM 1310 C LYS A 632 -22.877 -4.990 3.342 1.00 0.00 C ATOM 1311 O LYS A 632 -23.877 -5.564 2.908 1.00 0.00 O ATOM 1312 CB LYS A 632 -20.947 -4.949 1.707 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.485 -6.143 0.929 1.00 0.00 C ATOM 1314 CD LYS A 632 -21.420 -7.423 1.750 1.00 0.00 C ATOM 1315 CE LYS A 632 -20.006 -7.721 2.219 1.00 0.00 C ATOM 1316 NZ LYS A 632 -19.128 -8.181 1.113 1.00 0.00 N ATOM 0 H LYS A 632 -20.334 -3.092 3.147 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.676 -3.661 1.696 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.405 -4.301 1.019 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.226 -5.308 2.441 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.517 -5.951 0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -20.910 -6.269 0.012 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -22.079 -7.334 2.614 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.788 -8.257 1.153 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.579 -6.825 2.670 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -20.037 -8.485 2.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.219 -7.678 1.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.963 -9.204 1.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -19.587 -7.983 0.201 1.00 0.00 H new