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 Set 1.1: A 563 SER OG : rot 90:sc= 1.02 USER MOD Set 1.2: A 565 LYS NZ :NH3+ 154:sc= 1.13 (180deg=-0.384) USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 567 GLN : amide:sc= -1.82 K(o=-1.8,f=-0.93) USER MOD Single : A 572 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 575 GLN : amide:sc= 0.943 K(o=0.94,f=-0.29) USER MOD Single : A 583 LYS NZ :NH3+ 168:sc= 0.0993 (180deg=0.0704) USER MOD Single : A 588 GLN : amide:sc= -0.107 K(o=-0.11,f=-2.3!) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 595 SER OG : rot 91:sc= 1.25 USER MOD Single : A 598 SER OG : rot -40:sc= 0.0872 USER MOD Single : A 599 GLN : amide:sc= -0.314 X(o=-0.31,f=-0.6) USER MOD Single : A 601 HIS : no HD1:sc= -1.93 K(o=-1.9,f=-2.8!) USER MOD Single : A 603 GLN : amide:sc= -0.774 K(o=-0.77,f=-5.6!) USER MOD Single : A 604 THR OG1 : rot 180:sc= -0.567 USER MOD Single : A 605 GLN : amide:sc= -1.14 K(o=-1.1,f=-0.21) USER MOD Single : A 606 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 611 MET CE :methyl 148:sc= -0.656 (180deg=-1.36) USER MOD Single : A 616 GLN : amide:sc= -2.23! C(o=-2.2!,f=-4.6!) USER MOD Single : A 620 GLN : amide:sc= -0.654 K(o=-0.65,f=-1.2) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 146:sc= 1.25 (180deg=0.726) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -23.065 1.162 -3.614 1.00 0.00 N ATOM 199 CA SER A 563 -22.940 1.643 -4.976 1.00 0.00 C ATOM 200 C SER A 563 -21.986 0.738 -5.752 1.00 0.00 C ATOM 201 O SER A 563 -21.129 0.086 -5.149 1.00 0.00 O ATOM 202 CB SER A 563 -22.417 3.080 -4.966 1.00 0.00 C ATOM 203 OG SER A 563 -22.471 3.670 -6.259 1.00 0.00 O ATOM 0 HA SER A 563 -23.916 1.626 -5.461 1.00 0.00 H new ATOM 0 HB2 SER A 563 -23.006 3.676 -4.269 1.00 0.00 H new ATOM 0 HB3 SER A 563 -21.389 3.090 -4.604 1.00 0.00 H new ATOM 0 HG SER A 563 -23.337 4.113 -6.380 1.00 0.00 H new ATOM 209 N TYR A 564 -22.117 0.706 -7.079 1.00 0.00 N ATOM 210 CA TYR A 564 -21.233 -0.107 -7.912 1.00 0.00 C ATOM 211 C TYR A 564 -19.782 0.287 -7.688 1.00 0.00 C ATOM 212 O TYR A 564 -18.881 -0.548 -7.805 1.00 0.00 O ATOM 213 CB TYR A 564 -21.576 0.023 -9.393 1.00 0.00 C ATOM 214 CG TYR A 564 -20.684 -0.826 -10.268 1.00 0.00 C ATOM 215 CD1 TYR A 564 -20.964 -2.168 -10.481 1.00 0.00 C ATOM 216 CD2 TYR A 564 -19.543 -0.292 -10.855 1.00 0.00 C ATOM 217 CE1 TYR A 564 -20.136 -2.955 -11.255 1.00 0.00 C ATOM 218 CE2 TYR A 564 -18.712 -1.069 -11.633 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.012 -2.401 -11.829 1.00 0.00 C ATOM 220 OH TYR A 564 -18.183 -3.182 -12.600 1.00 0.00 O ATOM 0 H TYR A 564 -22.822 1.230 -7.596 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.377 -1.147 -7.619 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -22.615 -0.266 -9.549 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.487 1.067 -9.693 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -21.845 -2.604 -10.033 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -19.303 0.749 -10.699 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -20.367 -3.999 -11.410 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -17.832 -0.638 -12.086 1.00 0.00 H new ATOM 0 HH TYR A 564 -17.437 -2.639 -12.931 1.00 0.00 H new ATOM 230 N LYS A 565 -19.567 1.557 -7.362 1.00 0.00 N ATOM 231 CA LYS A 565 -18.238 2.043 -7.017 1.00 0.00 C ATOM 232 C LYS A 565 -17.615 1.107 -6.004 1.00 0.00 C ATOM 233 O LYS A 565 -16.522 0.604 -6.197 1.00 0.00 O ATOM 234 CB LYS A 565 -18.298 3.434 -6.387 1.00 0.00 C ATOM 235 CG LYS A 565 -19.173 4.426 -7.127 1.00 0.00 C ATOM 236 CD LYS A 565 -19.475 5.637 -6.265 1.00 0.00 C ATOM 237 CE LYS A 565 -20.374 6.627 -6.983 1.00 0.00 C ATOM 238 NZ LYS A 565 -21.614 5.989 -7.504 1.00 0.00 N ATOM 0 H LYS A 565 -20.297 2.268 -7.330 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.651 2.089 -7.935 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -18.664 3.340 -5.364 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -17.286 3.835 -6.328 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -18.674 4.743 -8.043 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -20.105 3.944 -7.422 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -19.954 5.315 -5.340 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -18.542 6.128 -5.987 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -20.642 7.433 -6.300 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -19.826 7.079 -7.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -22.366 6.703 -7.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -21.427 5.583 -8.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -21.916 5.235 -6.854 1.00 0.00 H new ATOM 252 N LEU A 566 -18.364 0.846 -4.948 1.00 0.00 N ATOM 253 CA LEU A 566 -17.893 0.036 -3.843 1.00 0.00 C ATOM 254 C LEU A 566 -17.939 -1.435 -4.213 1.00 0.00 C ATOM 255 O LEU A 566 -17.119 -2.225 -3.756 1.00 0.00 O ATOM 256 CB LEU A 566 -18.746 0.283 -2.600 1.00 0.00 C ATOM 257 CG LEU A 566 -18.756 1.719 -2.064 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.659 2.625 -2.894 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.200 1.713 -0.621 1.00 0.00 C ATOM 0 H LEU A 566 -19.317 1.191 -4.834 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.862 0.316 -3.625 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.772 -0.006 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.395 -0.377 -1.807 1.00 0.00 H new ATOM 0 HG LEU A 566 -17.744 2.118 -2.135 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.639 3.634 -2.482 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -19.305 2.646 -3.925 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -20.680 2.243 -2.869 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.208 2.734 -0.238 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.203 1.292 -0.551 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.511 1.109 -0.031 1.00 0.00 H new ATOM 271 N GLN A 567 -18.906 -1.789 -5.049 1.00 0.00 N ATOM 272 CA GLN A 567 -19.054 -3.158 -5.516 1.00 0.00 C ATOM 273 C GLN A 567 -17.782 -3.635 -6.204 1.00 0.00 C ATOM 274 O GLN A 567 -17.209 -4.658 -5.830 1.00 0.00 O ATOM 275 CB GLN A 567 -20.236 -3.267 -6.479 1.00 0.00 C ATOM 276 CG GLN A 567 -21.588 -3.055 -5.811 1.00 0.00 C ATOM 277 CD GLN A 567 -22.750 -3.124 -6.783 1.00 0.00 C ATOM 278 OE1 GLN A 567 -23.771 -2.465 -6.592 1.00 0.00 O ATOM 279 NE2 GLN A 567 -22.608 -3.925 -7.824 1.00 0.00 N ATOM 0 H GLN A 567 -19.602 -1.142 -5.418 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.241 -3.792 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.114 -2.532 -7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.222 -4.251 -6.948 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.726 -3.809 -5.036 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.594 -2.084 -5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -21.745 -4.455 -7.946 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -23.362 -4.014 -8.506 1.00 0.00 H new ATOM 288 N ARG A 568 -17.334 -2.883 -7.198 1.00 0.00 N ATOM 289 CA ARG A 568 -16.131 -3.251 -7.923 1.00 0.00 C ATOM 290 C ARG A 568 -14.891 -2.812 -7.148 1.00 0.00 C ATOM 291 O ARG A 568 -13.801 -3.341 -7.352 1.00 0.00 O ATOM 292 CB ARG A 568 -16.156 -2.692 -9.357 1.00 0.00 C ATOM 293 CG ARG A 568 -15.293 -1.468 -9.614 1.00 0.00 C ATOM 294 CD ARG A 568 -15.897 -0.207 -9.028 1.00 0.00 C ATOM 295 NE ARG A 568 -15.353 0.989 -9.675 1.00 0.00 N ATOM 296 CZ ARG A 568 -14.872 2.055 -9.028 1.00 0.00 C ATOM 297 NH1 ARG A 568 -14.854 2.080 -7.703 1.00 0.00 N ATOM 298 NH2 ARG A 568 -14.392 3.084 -9.712 1.00 0.00 N ATOM 0 H ARG A 568 -17.781 -2.023 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.092 -4.337 -8.013 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.842 -3.482 -10.039 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -17.187 -2.444 -9.610 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -14.303 -1.627 -9.186 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.159 -1.339 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -16.980 -0.229 -9.149 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -15.697 -0.168 -7.957 1.00 0.00 H new ATOM 0 HE ARG A 568 -15.340 1.010 -10.695 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -15.208 1.284 -7.173 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -14.486 2.896 -7.213 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -14.390 3.062 -10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -14.025 3.898 -9.219 1.00 0.00 H new ATOM 312 N GLU A 569 -15.078 -1.852 -6.241 1.00 0.00 N ATOM 313 CA GLU A 569 -14.002 -1.410 -5.362 1.00 0.00 C ATOM 314 C GLU A 569 -13.564 -2.576 -4.487 1.00 0.00 C ATOM 315 O GLU A 569 -12.406 -2.974 -4.499 1.00 0.00 O ATOM 316 CB GLU A 569 -14.461 -0.242 -4.474 1.00 0.00 C ATOM 317 CG GLU A 569 -13.321 0.498 -3.794 1.00 0.00 C ATOM 318 CD GLU A 569 -12.532 1.356 -4.758 1.00 0.00 C ATOM 319 OE1 GLU A 569 -11.837 0.803 -5.630 1.00 0.00 O ATOM 320 OE2 GLU A 569 -12.613 2.599 -4.655 1.00 0.00 O ATOM 0 H GLU A 569 -15.964 -1.368 -6.098 1.00 0.00 H new ATOM 0 HA GLU A 569 -13.168 -1.066 -5.974 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -15.028 0.463 -5.082 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -15.140 -0.623 -3.711 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.723 1.126 -2.999 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.653 -0.223 -3.324 1.00 0.00 H new ATOM 327 N LEU A 570 -14.529 -3.155 -3.780 1.00 0.00 N ATOM 328 CA LEU A 570 -14.276 -4.244 -2.842 1.00 0.00 C ATOM 329 C LEU A 570 -13.734 -5.488 -3.549 1.00 0.00 C ATOM 330 O LEU A 570 -13.162 -6.370 -2.915 1.00 0.00 O ATOM 331 CB LEU A 570 -15.568 -4.616 -2.113 1.00 0.00 C ATOM 332 CG LEU A 570 -15.393 -5.571 -0.932 1.00 0.00 C ATOM 333 CD1 LEU A 570 -14.893 -4.830 0.289 1.00 0.00 C ATOM 334 CD2 LEU A 570 -16.698 -6.276 -0.625 1.00 0.00 C ATOM 0 H LEU A 570 -15.510 -2.882 -3.841 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.526 -3.894 -2.133 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.041 -3.702 -1.754 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.253 -5.070 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.649 -6.319 -1.205 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -14.776 -5.530 1.117 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -13.931 -4.368 0.066 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -15.611 -4.058 0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -16.557 -6.952 0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -17.460 -5.538 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -17.018 -6.846 -1.497 1.00 0.00 H new ATOM 346 N GLU A 571 -13.932 -5.555 -4.858 1.00 0.00 N ATOM 347 CA GLU A 571 -13.525 -6.684 -5.644 1.00 0.00 C ATOM 348 C GLU A 571 -12.038 -6.606 -5.977 1.00 0.00 C ATOM 349 O GLU A 571 -11.333 -7.615 -5.977 1.00 0.00 O ATOM 350 CB GLU A 571 -14.386 -6.701 -6.906 1.00 0.00 C ATOM 351 CG GLU A 571 -13.664 -7.220 -8.115 1.00 0.00 C ATOM 352 CD GLU A 571 -14.535 -7.277 -9.351 1.00 0.00 C ATOM 353 OE1 GLU A 571 -15.730 -7.626 -9.232 1.00 0.00 O ATOM 354 OE2 GLU A 571 -14.029 -6.978 -10.452 1.00 0.00 O ATOM 0 H GLU A 571 -14.384 -4.816 -5.397 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.668 -7.611 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -15.268 -7.316 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -14.739 -5.690 -7.109 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -12.801 -6.585 -8.315 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -13.282 -8.218 -7.901 1.00 0.00 H new ATOM 361 N GLN A 572 -11.561 -5.401 -6.234 1.00 0.00 N ATOM 362 CA GLN A 572 -10.186 -5.209 -6.665 1.00 0.00 C ATOM 363 C GLN A 572 -9.304 -4.745 -5.515 1.00 0.00 C ATOM 364 O GLN A 572 -8.100 -4.999 -5.492 1.00 0.00 O ATOM 365 CB GLN A 572 -10.144 -4.185 -7.788 1.00 0.00 C ATOM 366 CG GLN A 572 -10.948 -4.596 -9.011 1.00 0.00 C ATOM 367 CD GLN A 572 -10.912 -3.561 -10.113 1.00 0.00 C ATOM 368 OE1 GLN A 572 -10.752 -2.367 -9.857 1.00 0.00 O ATOM 369 NE2 GLN A 572 -11.086 -4.007 -11.346 1.00 0.00 N ATOM 0 H GLN A 572 -12.104 -4.541 -6.152 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.803 -6.166 -7.020 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -10.523 -3.233 -7.416 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -9.107 -4.022 -8.082 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -10.561 -5.540 -9.394 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -11.983 -4.771 -8.717 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -11.215 -5.005 -11.514 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -11.091 -3.353 -12.129 1.00 0.00 H new ATOM 378 N LEU A 573 -9.930 -4.057 -4.578 1.00 0.00 N ATOM 379 CA LEU A 573 -9.261 -3.496 -3.401 1.00 0.00 C ATOM 380 C LEU A 573 -8.361 -4.531 -2.691 1.00 0.00 C ATOM 381 O LEU A 573 -7.222 -4.215 -2.373 1.00 0.00 O ATOM 382 CB LEU A 573 -10.321 -2.940 -2.436 1.00 0.00 C ATOM 383 CG LEU A 573 -9.915 -1.701 -1.627 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.084 -1.200 -0.797 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.717 -1.984 -0.740 1.00 0.00 C ATOM 0 H LEU A 573 -10.931 -3.865 -4.606 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.605 -2.691 -3.732 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.214 -2.696 -3.011 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.597 -3.730 -1.738 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.628 -0.923 -2.334 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.777 -0.321 -0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.911 -0.936 -1.456 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.403 -1.983 -0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.457 -1.085 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.962 -2.786 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.870 -2.285 -1.357 1.00 0.00 H new ATOM 397 N PRO A 574 -8.835 -5.775 -2.423 1.00 0.00 N ATOM 398 CA PRO A 574 -7.991 -6.819 -1.813 1.00 0.00 C ATOM 399 C PRO A 574 -6.705 -7.065 -2.598 1.00 0.00 C ATOM 400 O PRO A 574 -5.633 -7.242 -2.018 1.00 0.00 O ATOM 401 CB PRO A 574 -8.878 -8.064 -1.843 1.00 0.00 C ATOM 402 CG PRO A 574 -10.264 -7.534 -1.854 1.00 0.00 C ATOM 403 CD PRO A 574 -10.207 -6.261 -2.650 1.00 0.00 C ATOM 0 HA PRO A 574 -7.664 -6.537 -0.812 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -8.679 -8.672 -2.726 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -8.702 -8.697 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -10.952 -8.248 -2.306 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -10.619 -7.346 -0.841 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.400 -6.440 -3.708 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -10.950 -5.540 -2.308 1.00 0.00 H new ATOM 411 N GLN A 575 -6.813 -7.054 -3.923 1.00 0.00 N ATOM 412 CA GLN A 575 -5.656 -7.254 -4.788 1.00 0.00 C ATOM 413 C GLN A 575 -4.750 -6.031 -4.751 1.00 0.00 C ATOM 414 O GLN A 575 -3.542 -6.127 -4.959 1.00 0.00 O ATOM 415 CB GLN A 575 -6.091 -7.557 -6.221 1.00 0.00 C ATOM 416 CG GLN A 575 -6.417 -9.027 -6.470 1.00 0.00 C ATOM 417 CD GLN A 575 -7.496 -9.570 -5.550 1.00 0.00 C ATOM 418 OE1 GLN A 575 -8.683 -9.499 -5.859 1.00 0.00 O ATOM 419 NE2 GLN A 575 -7.094 -10.131 -4.420 1.00 0.00 N ATOM 0 H GLN A 575 -7.691 -6.909 -4.421 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.097 -8.113 -4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.968 -6.955 -6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.299 -7.250 -6.904 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.736 -9.150 -7.505 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -5.511 -9.619 -6.344 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -6.100 -10.172 -4.197 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -7.779 -10.522 -3.773 1.00 0.00 H new ATOM 428 N LEU A 576 -5.350 -4.881 -4.482 1.00 0.00 N ATOM 429 CA LEU A 576 -4.606 -3.651 -4.267 1.00 0.00 C ATOM 430 C LEU A 576 -3.890 -3.696 -2.916 1.00 0.00 C ATOM 431 O LEU A 576 -2.773 -3.202 -2.780 1.00 0.00 O ATOM 432 CB LEU A 576 -5.554 -2.448 -4.344 1.00 0.00 C ATOM 433 CG LEU A 576 -5.052 -1.165 -3.684 1.00 0.00 C ATOM 434 CD1 LEU A 576 -4.028 -0.454 -4.558 1.00 0.00 C ATOM 435 CD2 LEU A 576 -6.216 -0.240 -3.365 1.00 0.00 C ATOM 0 H LEU A 576 -6.362 -4.775 -4.407 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.852 -3.547 -5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.760 -2.238 -5.394 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.502 -2.725 -3.882 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.559 -1.441 -2.752 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.692 0.455 -4.059 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -3.175 -1.112 -4.728 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.483 -0.195 -5.514 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.840 0.669 -2.895 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.739 0.017 -4.286 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.904 -0.742 -2.685 1.00 0.00 H new ATOM 447 N LEU A 577 -4.533 -4.298 -1.922 1.00 0.00 N ATOM 448 CA LEU A 577 -3.920 -4.483 -0.612 1.00 0.00 C ATOM 449 C LEU A 577 -2.672 -5.337 -0.719 1.00 0.00 C ATOM 450 O LEU A 577 -1.598 -4.923 -0.305 1.00 0.00 O ATOM 451 CB LEU A 577 -4.900 -5.123 0.380 1.00 0.00 C ATOM 452 CG LEU A 577 -5.756 -4.158 1.213 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.507 -2.702 0.831 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.232 -4.510 1.085 1.00 0.00 C ATOM 0 H LEU A 577 -5.481 -4.667 -1.999 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.647 -3.496 -0.239 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.569 -5.780 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.331 -5.753 1.064 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.460 -4.271 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.132 -2.053 1.444 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.458 -2.457 0.996 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.753 -2.555 -0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.825 -3.816 1.682 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.534 -4.439 0.040 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.396 -5.527 1.442 1.00 0.00 H new ATOM 466 N GLU A 578 -2.806 -6.523 -1.291 1.00 0.00 N ATOM 467 CA GLU A 578 -1.654 -7.400 -1.471 1.00 0.00 C ATOM 468 C GLU A 578 -0.634 -6.756 -2.413 1.00 0.00 C ATOM 469 O GLU A 578 0.552 -7.076 -2.364 1.00 0.00 O ATOM 470 CB GLU A 578 -2.089 -8.775 -1.987 1.00 0.00 C ATOM 471 CG GLU A 578 -2.831 -8.733 -3.309 1.00 0.00 C ATOM 472 CD GLU A 578 -3.393 -10.080 -3.708 1.00 0.00 C ATOM 473 OE1 GLU A 578 -2.651 -10.891 -4.298 1.00 0.00 O ATOM 474 OE2 GLU A 578 -4.581 -10.340 -3.430 1.00 0.00 O ATOM 0 H GLU A 578 -3.689 -6.900 -1.636 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.178 -7.545 -0.501 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.207 -9.406 -2.097 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.727 -9.247 -1.239 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.644 -8.011 -3.241 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.156 -8.381 -4.089 1.00 0.00 H new ATOM 481 N ASP A 579 -1.102 -5.826 -3.244 1.00 0.00 N ATOM 482 CA ASP A 579 -0.224 -5.062 -4.126 1.00 0.00 C ATOM 483 C ASP A 579 0.658 -4.145 -3.302 1.00 0.00 C ATOM 484 O ASP A 579 1.881 -4.177 -3.401 1.00 0.00 O ATOM 485 CB ASP A 579 -1.033 -4.188 -5.084 1.00 0.00 C ATOM 486 CG ASP A 579 -0.434 -4.127 -6.475 1.00 0.00 C ATOM 487 OD1 ASP A 579 -0.786 -4.975 -7.321 1.00 0.00 O ATOM 488 OD2 ASP A 579 0.384 -3.220 -6.733 1.00 0.00 O ATOM 0 H ASP A 579 -2.089 -5.583 -3.324 1.00 0.00 H new ATOM 0 HA ASP A 579 0.374 -5.775 -4.694 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -2.050 -4.574 -5.149 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.100 -3.179 -4.678 1.00 0.00 H new ATOM 493 N LEU A 580 0.008 -3.330 -2.486 1.00 0.00 N ATOM 494 CA LEU A 580 0.681 -2.329 -1.670 1.00 0.00 C ATOM 495 C LEU A 580 1.483 -2.970 -0.557 1.00 0.00 C ATOM 496 O LEU A 580 2.517 -2.452 -0.154 1.00 0.00 O ATOM 497 CB LEU A 580 -0.347 -1.384 -1.071 1.00 0.00 C ATOM 498 CG LEU A 580 -1.206 -0.655 -2.088 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.335 0.070 -1.388 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.357 0.306 -2.906 1.00 0.00 C ATOM 0 H LEU A 580 -1.005 -3.344 -2.370 1.00 0.00 H new ATOM 0 HA LEU A 580 1.368 -1.778 -2.312 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.998 -1.951 -0.406 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.171 -0.647 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.642 -1.382 -2.774 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.946 0.590 -2.126 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.951 -0.650 -0.849 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.922 0.793 -0.684 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.987 0.821 -3.631 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.106 1.037 -2.243 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.419 -0.251 -3.431 1.00 0.00 H new ATOM 512 N GLU A 581 0.994 -4.090 -0.058 1.00 0.00 N ATOM 513 CA GLU A 581 1.680 -4.811 0.993 1.00 0.00 C ATOM 514 C GLU A 581 2.980 -5.381 0.457 1.00 0.00 C ATOM 515 O GLU A 581 4.040 -5.210 1.054 1.00 0.00 O ATOM 516 CB GLU A 581 0.805 -5.935 1.527 1.00 0.00 C ATOM 517 CG GLU A 581 1.270 -6.464 2.866 1.00 0.00 C ATOM 518 CD GLU A 581 0.424 -7.613 3.369 1.00 0.00 C ATOM 519 OE1 GLU A 581 -0.682 -7.359 3.882 1.00 0.00 O ATOM 520 OE2 GLU A 581 0.871 -8.775 3.269 1.00 0.00 O ATOM 0 H GLU A 581 0.122 -4.520 -0.366 1.00 0.00 H new ATOM 0 HA GLU A 581 1.895 -4.121 1.809 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.220 -5.576 1.621 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.792 -6.752 0.805 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.306 -6.792 2.782 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.249 -5.656 3.598 1.00 0.00 H new ATOM 527 N ALA A 582 2.887 -6.041 -0.689 1.00 0.00 N ATOM 528 CA ALA A 582 4.064 -6.581 -1.352 1.00 0.00 C ATOM 529 C ALA A 582 4.956 -5.450 -1.850 1.00 0.00 C ATOM 530 O ALA A 582 6.173 -5.603 -1.949 1.00 0.00 O ATOM 531 CB ALA A 582 3.660 -7.492 -2.498 1.00 0.00 C ATOM 0 H ALA A 582 2.009 -6.215 -1.178 1.00 0.00 H new ATOM 0 HA ALA A 582 4.628 -7.173 -0.631 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.554 -7.886 -2.982 1.00 0.00 H new ATOM 0 HB2 ALA A 582 3.062 -8.318 -2.113 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.074 -6.927 -3.223 1.00 0.00 H new ATOM 537 N LYS A 583 4.340 -4.312 -2.149 1.00 0.00 N ATOM 538 CA LYS A 583 5.070 -3.118 -2.546 1.00 0.00 C ATOM 539 C LYS A 583 5.897 -2.614 -1.372 1.00 0.00 C ATOM 540 O LYS A 583 7.089 -2.343 -1.502 1.00 0.00 O ATOM 541 CB LYS A 583 4.096 -2.028 -3.006 1.00 0.00 C ATOM 542 CG LYS A 583 4.782 -0.744 -3.443 1.00 0.00 C ATOM 543 CD LYS A 583 3.782 0.347 -3.793 1.00 0.00 C ATOM 544 CE LYS A 583 4.497 1.645 -4.135 1.00 0.00 C ATOM 545 NZ LYS A 583 3.565 2.708 -4.597 1.00 0.00 N ATOM 0 H LYS A 583 3.327 -4.193 -2.123 1.00 0.00 H new ATOM 0 HA LYS A 583 5.732 -3.365 -3.376 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.500 -2.411 -3.834 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.406 -1.803 -2.193 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.436 -0.393 -2.645 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.414 -0.947 -4.308 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.171 0.029 -4.638 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.105 0.509 -2.954 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.039 1.999 -3.258 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.237 1.454 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.064 3.620 -4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 3.219 2.476 -5.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.759 2.772 -3.943 1.00 0.00 H new ATOM 559 N LEU A 584 5.244 -2.515 -0.222 1.00 0.00 N ATOM 560 CA LEU A 584 5.897 -2.110 1.006 1.00 0.00 C ATOM 561 C LEU A 584 7.014 -3.092 1.341 1.00 0.00 C ATOM 562 O LEU A 584 8.132 -2.686 1.631 1.00 0.00 O ATOM 563 CB LEU A 584 4.853 -2.029 2.136 1.00 0.00 C ATOM 564 CG LEU A 584 5.353 -1.515 3.493 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.016 -2.631 4.287 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.309 -0.349 3.296 1.00 0.00 C ATOM 0 H LEU A 584 4.249 -2.714 -0.119 1.00 0.00 H new ATOM 0 HA LEU A 584 6.345 -1.124 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.040 -1.383 1.804 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.430 -3.023 2.282 1.00 0.00 H new ATOM 0 HG LEU A 584 4.494 -1.164 4.065 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.362 -2.241 5.244 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.297 -3.432 4.460 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.865 -3.021 3.726 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.656 0.005 4.267 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.163 -0.675 2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.794 0.460 2.777 1.00 0.00 H new ATOM 578 N GLU A 585 6.698 -4.381 1.277 1.00 0.00 N ATOM 579 CA GLU A 585 7.683 -5.437 1.502 1.00 0.00 C ATOM 580 C GLU A 585 8.900 -5.276 0.598 1.00 0.00 C ATOM 581 O GLU A 585 10.039 -5.430 1.044 1.00 0.00 O ATOM 582 CB GLU A 585 7.049 -6.803 1.264 1.00 0.00 C ATOM 583 CG GLU A 585 6.160 -7.261 2.402 1.00 0.00 C ATOM 584 CD GLU A 585 6.915 -7.314 3.711 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.902 -8.074 3.803 1.00 0.00 O ATOM 586 OE2 GLU A 585 6.548 -6.572 4.644 1.00 0.00 O ATOM 0 H GLU A 585 5.760 -4.723 1.069 1.00 0.00 H new ATOM 0 HA GLU A 585 8.017 -5.359 2.537 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.462 -6.768 0.346 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.838 -7.539 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.312 -6.583 2.498 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.756 -8.247 2.174 1.00 0.00 H new ATOM 593 N ALA A 586 8.651 -4.956 -0.665 1.00 0.00 N ATOM 594 CA ALA A 586 9.714 -4.808 -1.648 1.00 0.00 C ATOM 595 C ALA A 586 10.621 -3.638 -1.286 1.00 0.00 C ATOM 596 O ALA A 586 11.849 -3.739 -1.340 1.00 0.00 O ATOM 597 CB ALA A 586 9.119 -4.609 -3.038 1.00 0.00 C ATOM 0 H ALA A 586 7.714 -4.793 -1.034 1.00 0.00 H new ATOM 0 HA ALA A 586 10.314 -5.718 -1.650 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.923 -4.499 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.508 -5.473 -3.299 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.500 -3.712 -3.044 1.00 0.00 H new ATOM 603 N LEU A 587 9.999 -2.538 -0.893 1.00 0.00 N ATOM 604 CA LEU A 587 10.721 -1.328 -0.539 1.00 0.00 C ATOM 605 C LEU A 587 11.410 -1.479 0.818 1.00 0.00 C ATOM 606 O LEU A 587 12.581 -1.151 0.967 1.00 0.00 O ATOM 607 CB LEU A 587 9.750 -0.145 -0.526 1.00 0.00 C ATOM 608 CG LEU A 587 9.045 0.113 -1.861 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.842 1.016 -1.671 1.00 0.00 C ATOM 610 CD2 LEU A 587 10.011 0.725 -2.863 1.00 0.00 C ATOM 0 H LEU A 587 8.985 -2.459 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 587 11.497 -1.147 -1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.995 -0.319 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.296 0.754 -0.238 1.00 0.00 H new ATOM 0 HG LEU A 587 8.697 -0.844 -2.251 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.358 1.185 -2.633 1.00 0.00 H new ATOM 0 HD12 LEU A 587 7.136 0.543 -0.988 1.00 0.00 H new ATOM 0 HD13 LEU A 587 8.165 1.970 -1.255 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.494 0.902 -3.806 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.389 1.670 -2.474 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.844 0.042 -3.029 1.00 0.00 H new ATOM 622 N GLN A 588 10.691 -2.022 1.788 1.00 0.00 N ATOM 623 CA GLN A 588 11.206 -2.167 3.147 1.00 0.00 C ATOM 624 C GLN A 588 12.362 -3.154 3.219 1.00 0.00 C ATOM 625 O GLN A 588 13.164 -3.103 4.146 1.00 0.00 O ATOM 626 CB GLN A 588 10.093 -2.618 4.093 1.00 0.00 C ATOM 627 CG GLN A 588 9.298 -1.476 4.699 1.00 0.00 C ATOM 628 CD GLN A 588 10.016 -0.820 5.861 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.245 -0.796 5.919 1.00 0.00 O ATOM 630 NE2 GLN A 588 9.250 -0.294 6.802 1.00 0.00 N ATOM 0 H GLN A 588 9.742 -2.373 1.661 1.00 0.00 H new ATOM 0 HA GLN A 588 11.578 -1.189 3.453 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.412 -3.273 3.550 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.531 -3.209 4.897 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.099 -0.729 3.931 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.332 -1.850 5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 588 8.235 -0.335 6.715 1.00 0.00 H new ATOM 0 HE22 GLN A 588 9.675 0.153 7.615 1.00 0.00 H new ATOM 639 N THR A 589 12.449 -4.057 2.256 1.00 0.00 N ATOM 640 CA THR A 589 13.498 -5.059 2.281 1.00 0.00 C ATOM 641 C THR A 589 14.758 -4.544 1.586 1.00 0.00 C ATOM 642 O THR A 589 15.868 -4.962 1.914 1.00 0.00 O ATOM 643 CB THR A 589 13.022 -6.397 1.658 1.00 0.00 C ATOM 644 OG1 THR A 589 13.802 -7.484 2.170 1.00 0.00 O ATOM 645 CG2 THR A 589 13.118 -6.381 0.137 1.00 0.00 C ATOM 0 H THR A 589 11.815 -4.116 1.459 1.00 0.00 H new ATOM 0 HA THR A 589 13.744 -5.256 3.325 1.00 0.00 H new ATOM 0 HB THR A 589 11.975 -6.528 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.493 -8.324 1.772 1.00 0.00 H new ATOM 0 HG21 THR A 589 12.775 -7.337 -0.259 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.494 -5.579 -0.259 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.153 -6.215 -0.160 1.00 0.00 H new ATOM 653 N GLN A 590 14.601 -3.613 0.652 1.00 0.00 N ATOM 654 CA GLN A 590 15.757 -2.988 0.028 1.00 0.00 C ATOM 655 C GLN A 590 16.257 -1.850 0.910 1.00 0.00 C ATOM 656 O GLN A 590 17.452 -1.595 0.988 1.00 0.00 O ATOM 657 CB GLN A 590 15.437 -2.497 -1.390 1.00 0.00 C ATOM 658 CG GLN A 590 14.321 -1.475 -1.463 1.00 0.00 C ATOM 659 CD GLN A 590 13.937 -1.143 -2.887 1.00 0.00 C ATOM 660 OE1 GLN A 590 13.063 -1.782 -3.471 1.00 0.00 O ATOM 661 NE2 GLN A 590 14.599 -0.155 -3.463 1.00 0.00 N ATOM 0 H GLN A 590 13.698 -3.279 0.315 1.00 0.00 H new ATOM 0 HA GLN A 590 16.547 -3.733 -0.070 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.339 -2.064 -1.823 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.168 -3.355 -2.006 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.448 -1.856 -0.933 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.632 -0.564 -0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 590 15.317 0.350 -2.943 1.00 0.00 H new ATOM 0 HE22 GLN A 590 14.392 0.103 -4.428 1.00 0.00 H new ATOM 670 N VAL A 591 15.327 -1.191 1.595 1.00 0.00 N ATOM 671 CA VAL A 591 15.669 -0.176 2.587 1.00 0.00 C ATOM 672 C VAL A 591 16.249 -0.843 3.838 1.00 0.00 C ATOM 673 O VAL A 591 16.959 -0.216 4.627 1.00 0.00 O ATOM 674 CB VAL A 591 14.426 0.675 2.959 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.722 1.656 4.081 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.908 1.424 1.740 1.00 0.00 C ATOM 0 H VAL A 591 14.325 -1.343 1.480 1.00 0.00 H new ATOM 0 HA VAL A 591 16.418 0.488 2.157 1.00 0.00 H new ATOM 0 HB VAL A 591 13.659 -0.014 3.313 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.824 2.230 4.308 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.037 1.109 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.517 2.334 3.771 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.036 2.015 2.020 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.688 2.084 1.360 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.628 0.710 0.966 1.00 0.00 H new ATOM 686 N ALA A 592 15.954 -2.131 3.999 1.00 0.00 N ATOM 687 CA ALA A 592 16.494 -2.913 5.105 1.00 0.00 C ATOM 688 C ALA A 592 18.003 -3.057 4.962 1.00 0.00 C ATOM 689 O ALA A 592 18.735 -3.142 5.949 1.00 0.00 O ATOM 690 CB ALA A 592 15.845 -4.285 5.152 1.00 0.00 C ATOM 0 H ALA A 592 15.342 -2.655 3.374 1.00 0.00 H new ATOM 0 HA ALA A 592 16.275 -2.390 6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.260 -4.855 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.769 -4.174 5.289 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.040 -4.812 4.218 1.00 0.00 H new ATOM 696 N ASP A 593 18.443 -3.082 3.715 1.00 0.00 N ATOM 697 CA ASP A 593 19.855 -3.191 3.385 1.00 0.00 C ATOM 698 C ASP A 593 20.563 -1.874 3.680 1.00 0.00 C ATOM 699 O ASP A 593 20.159 -0.817 3.198 1.00 0.00 O ATOM 700 CB ASP A 593 20.005 -3.553 1.902 1.00 0.00 C ATOM 701 CG ASP A 593 21.444 -3.732 1.448 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.365 -3.710 2.293 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.657 -3.907 0.230 1.00 0.00 O ATOM 0 H ASP A 593 17.830 -3.027 2.901 1.00 0.00 H new ATOM 0 HA ASP A 593 20.310 -3.973 3.993 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.457 -4.475 1.707 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.540 -2.772 1.300 1.00 0.00 H new ATOM 708 N ALA A 594 21.624 -1.948 4.472 1.00 0.00 N ATOM 709 CA ALA A 594 22.404 -0.771 4.830 1.00 0.00 C ATOM 710 C ALA A 594 23.108 -0.192 3.609 1.00 0.00 C ATOM 711 O ALA A 594 23.536 0.962 3.610 1.00 0.00 O ATOM 712 CB ALA A 594 23.419 -1.123 5.903 1.00 0.00 C ATOM 0 H ALA A 594 21.966 -2.817 4.881 1.00 0.00 H new ATOM 0 HA ALA A 594 21.722 -0.015 5.220 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.996 -0.236 6.163 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.900 -1.490 6.788 1.00 0.00 H new ATOM 0 HB3 ALA A 594 24.090 -1.896 5.529 1.00 0.00 H new ATOM 718 N SER A 595 23.221 -1.002 2.564 1.00 0.00 N ATOM 719 CA SER A 595 23.877 -0.584 1.336 1.00 0.00 C ATOM 720 C SER A 595 22.955 0.319 0.520 1.00 0.00 C ATOM 721 O SER A 595 23.399 1.019 -0.390 1.00 0.00 O ATOM 722 CB SER A 595 24.275 -1.813 0.525 1.00 0.00 C ATOM 723 OG SER A 595 24.742 -2.840 1.385 1.00 0.00 O ATOM 0 H SER A 595 22.864 -1.957 2.545 1.00 0.00 H new ATOM 0 HA SER A 595 24.774 -0.017 1.586 1.00 0.00 H new ATOM 0 HB2 SER A 595 23.420 -2.171 -0.049 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.052 -1.548 -0.192 1.00 0.00 H new ATOM 0 HG SER A 595 23.993 -3.418 1.641 1.00 0.00 H new ATOM 729 N PHE A 596 21.672 0.306 0.871 1.00 0.00 N ATOM 730 CA PHE A 596 20.678 1.131 0.195 1.00 0.00 C ATOM 731 C PHE A 596 21.001 2.610 0.359 1.00 0.00 C ATOM 732 O PHE A 596 21.036 3.359 -0.615 1.00 0.00 O ATOM 733 CB PHE A 596 19.283 0.830 0.749 1.00 0.00 C ATOM 734 CG PHE A 596 18.254 1.863 0.404 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.773 1.983 -0.887 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.769 2.718 1.380 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.830 2.940 -1.198 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.826 3.673 1.075 1.00 0.00 C ATOM 739 CZ PHE A 596 16.356 3.786 -0.215 1.00 0.00 C ATOM 0 H PHE A 596 21.296 -0.270 1.624 1.00 0.00 H new ATOM 0 HA PHE A 596 20.698 0.893 -0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 596 18.953 -0.137 0.369 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.345 0.742 1.834 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.139 1.322 -1.658 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.135 2.634 2.393 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.462 3.028 -2.210 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.455 4.333 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.617 4.536 -0.457 1.00 0.00 H new ATOM 749 N PHE A 597 21.270 3.018 1.593 1.00 0.00 N ATOM 750 CA PHE A 597 21.555 4.418 1.892 1.00 0.00 C ATOM 751 C PHE A 597 22.934 4.830 1.382 1.00 0.00 C ATOM 752 O PHE A 597 23.372 5.963 1.593 1.00 0.00 O ATOM 753 CB PHE A 597 21.465 4.673 3.393 1.00 0.00 C ATOM 754 CG PHE A 597 20.113 4.374 3.982 1.00 0.00 C ATOM 755 CD1 PHE A 597 19.110 5.328 3.965 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.851 3.139 4.556 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.869 5.058 4.510 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.612 2.864 5.102 1.00 0.00 C ATOM 759 CZ PHE A 597 17.621 3.825 5.079 1.00 0.00 C ATOM 0 H PHE A 597 21.297 2.400 2.404 1.00 0.00 H new ATOM 0 HA PHE A 597 20.806 5.021 1.378 1.00 0.00 H new ATOM 0 HB2 PHE A 597 22.214 4.065 3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.714 5.716 3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 597 19.299 6.294 3.521 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.623 2.384 4.576 1.00 0.00 H new ATOM 0 HE1 PHE A 597 17.094 5.810 4.491 1.00 0.00 H new ATOM 0 HE2 PHE A 597 18.419 1.899 5.546 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.652 3.612 5.506 1.00 0.00 H new ATOM 769 N SER A 598 23.621 3.908 0.721 1.00 0.00 N ATOM 770 CA SER A 598 24.905 4.209 0.113 1.00 0.00 C ATOM 771 C SER A 598 24.681 4.757 -1.293 1.00 0.00 C ATOM 772 O SER A 598 25.624 5.129 -1.991 1.00 0.00 O ATOM 773 CB SER A 598 25.787 2.957 0.078 1.00 0.00 C ATOM 774 OG SER A 598 27.142 3.283 -0.197 1.00 0.00 O ATOM 0 H SER A 598 23.308 2.946 0.593 1.00 0.00 H new ATOM 0 HA SER A 598 25.421 4.962 0.708 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.723 2.439 1.035 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.415 2.270 -0.682 1.00 0.00 H new ATOM 0 HG SER A 598 27.178 3.981 -0.884 1.00 0.00 H new ATOM 780 N GLN A 599 23.417 4.802 -1.700 1.00 0.00 N ATOM 781 CA GLN A 599 23.036 5.393 -2.972 1.00 0.00 C ATOM 782 C GLN A 599 22.753 6.879 -2.801 1.00 0.00 C ATOM 783 O GLN A 599 22.607 7.365 -1.677 1.00 0.00 O ATOM 784 CB GLN A 599 21.813 4.678 -3.549 1.00 0.00 C ATOM 785 CG GLN A 599 22.147 3.335 -4.170 1.00 0.00 C ATOM 786 CD GLN A 599 23.033 3.466 -5.393 1.00 0.00 C ATOM 787 OE1 GLN A 599 24.260 3.499 -5.292 1.00 0.00 O ATOM 788 NE2 GLN A 599 22.418 3.526 -6.559 1.00 0.00 N ATOM 0 H GLN A 599 22.635 4.432 -1.160 1.00 0.00 H new ATOM 0 HA GLN A 599 23.864 5.276 -3.671 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.078 4.533 -2.758 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.349 5.315 -4.302 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.645 2.710 -3.429 1.00 0.00 H new ATOM 0 HG3 GLN A 599 21.224 2.826 -4.447 1.00 0.00 H new ATOM 0 HE21 GLN A 599 21.399 3.496 -6.600 1.00 0.00 H new ATOM 0 HE22 GLN A 599 22.961 3.603 -7.419 1.00 0.00 H new ATOM 797 N PRO A 600 22.701 7.622 -3.914 1.00 0.00 N ATOM 798 CA PRO A 600 22.423 9.061 -3.902 1.00 0.00 C ATOM 799 C PRO A 600 21.060 9.385 -3.290 1.00 0.00 C ATOM 800 O PRO A 600 20.121 8.588 -3.348 1.00 0.00 O ATOM 801 CB PRO A 600 22.459 9.442 -5.390 1.00 0.00 C ATOM 802 CG PRO A 600 23.255 8.364 -6.038 1.00 0.00 C ATOM 803 CD PRO A 600 22.920 7.121 -5.277 1.00 0.00 C ATOM 0 HA PRO A 600 23.140 9.612 -3.293 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.454 9.498 -5.809 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.921 10.418 -5.538 1.00 0.00 H new ATOM 0 HG2 PRO A 600 22.997 8.263 -7.092 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.322 8.579 -5.991 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.032 6.630 -5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 600 23.730 6.393 -5.315 1.00 0.00 H new ATOM 811 N HIS A 601 20.988 10.580 -2.710 1.00 0.00 N ATOM 812 CA HIS A 601 19.820 11.066 -1.971 1.00 0.00 C ATOM 813 C HIS A 601 18.558 11.008 -2.810 1.00 0.00 C ATOM 814 O HIS A 601 17.483 10.755 -2.289 1.00 0.00 O ATOM 815 CB HIS A 601 20.089 12.511 -1.523 1.00 0.00 C ATOM 816 CG HIS A 601 19.049 13.128 -0.634 1.00 0.00 C ATOM 817 ND1 HIS A 601 19.153 13.146 0.741 1.00 0.00 N ATOM 818 CD2 HIS A 601 17.916 13.809 -0.929 1.00 0.00 C ATOM 819 CE1 HIS A 601 18.129 13.805 1.253 1.00 0.00 C ATOM 820 NE2 HIS A 601 17.367 14.219 0.261 1.00 0.00 N ATOM 0 H HIS A 601 21.754 11.253 -2.740 1.00 0.00 H new ATOM 0 HA HIS A 601 19.662 10.422 -1.106 1.00 0.00 H new ATOM 0 HB2 HIS A 601 21.046 12.537 -1.002 1.00 0.00 H new ATOM 0 HB3 HIS A 601 20.194 13.133 -2.412 1.00 0.00 H new ATOM 0 HD2 HIS A 601 17.519 13.995 -1.916 1.00 0.00 H new ATOM 0 HE1 HIS A 601 17.948 13.975 2.304 1.00 0.00 H new ATOM 0 HE2 HIS A 601 16.507 14.758 0.361 1.00 0.00 H new ATOM 829 N GLU A 602 18.682 11.239 -4.102 1.00 0.00 N ATOM 830 CA GLU A 602 17.517 11.258 -4.964 1.00 0.00 C ATOM 831 C GLU A 602 17.038 9.844 -5.284 1.00 0.00 C ATOM 832 O GLU A 602 15.871 9.645 -5.608 1.00 0.00 O ATOM 833 CB GLU A 602 17.807 12.049 -6.234 1.00 0.00 C ATOM 834 CG GLU A 602 18.255 13.474 -5.947 1.00 0.00 C ATOM 835 CD GLU A 602 18.204 14.368 -7.163 1.00 0.00 C ATOM 836 OE1 GLU A 602 19.141 14.326 -7.986 1.00 0.00 O ATOM 837 OE2 GLU A 602 17.224 15.129 -7.299 1.00 0.00 O ATOM 0 H GLU A 602 19.569 11.415 -4.575 1.00 0.00 H new ATOM 0 HA GLU A 602 16.708 11.758 -4.431 1.00 0.00 H new ATOM 0 HB2 GLU A 602 18.580 11.538 -6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 602 16.912 12.072 -6.856 1.00 0.00 H new ATOM 0 HG2 GLU A 602 17.623 13.897 -5.166 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.273 13.457 -5.559 1.00 0.00 H new ATOM 844 N GLN A 603 17.928 8.861 -5.172 1.00 0.00 N ATOM 845 CA GLN A 603 17.534 7.461 -5.335 1.00 0.00 C ATOM 846 C GLN A 603 16.890 6.974 -4.062 1.00 0.00 C ATOM 847 O GLN A 603 15.825 6.363 -4.065 1.00 0.00 O ATOM 848 CB GLN A 603 18.731 6.547 -5.602 1.00 0.00 C ATOM 849 CG GLN A 603 19.699 7.039 -6.648 1.00 0.00 C ATOM 850 CD GLN A 603 19.101 7.113 -8.043 1.00 0.00 C ATOM 851 OE1 GLN A 603 17.906 7.348 -8.219 1.00 0.00 O ATOM 852 NE2 GLN A 603 19.936 6.917 -9.049 1.00 0.00 N ATOM 0 H GLN A 603 18.918 9.004 -4.971 1.00 0.00 H new ATOM 0 HA GLN A 603 16.854 7.422 -6.186 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.274 6.405 -4.667 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.359 5.569 -5.907 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.058 8.028 -6.363 1.00 0.00 H new ATOM 0 HG3 GLN A 603 20.566 6.379 -6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 603 20.921 6.725 -8.865 1.00 0.00 H new ATOM 0 HE22 GLN A 603 19.596 6.958 -10.010 1.00 0.00 H new ATOM 861 N THR A 604 17.563 7.250 -2.970 1.00 0.00 N ATOM 862 CA THR A 604 17.159 6.754 -1.684 1.00 0.00 C ATOM 863 C THR A 604 15.844 7.377 -1.248 1.00 0.00 C ATOM 864 O THR A 604 14.915 6.674 -0.855 1.00 0.00 O ATOM 865 CB THR A 604 18.259 7.026 -0.653 1.00 0.00 C ATOM 866 OG1 THR A 604 18.587 8.421 -0.640 1.00 0.00 O ATOM 867 CG2 THR A 604 19.503 6.215 -0.993 1.00 0.00 C ATOM 0 H THR A 604 18.405 7.825 -2.952 1.00 0.00 H new ATOM 0 HA THR A 604 17.005 5.678 -1.759 1.00 0.00 H new ATOM 0 HB THR A 604 17.895 6.733 0.332 1.00 0.00 H new ATOM 0 HG1 THR A 604 19.290 8.586 0.023 1.00 0.00 H new ATOM 0 HG21 THR A 604 20.280 6.414 -0.255 1.00 0.00 H new ATOM 0 HG22 THR A 604 19.258 5.153 -0.985 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.862 6.497 -1.983 1.00 0.00 H new ATOM 875 N GLN A 605 15.754 8.691 -1.366 1.00 0.00 N ATOM 876 CA GLN A 605 14.562 9.418 -0.970 1.00 0.00 C ATOM 877 C GLN A 605 13.342 9.004 -1.786 1.00 0.00 C ATOM 878 O GLN A 605 12.237 8.970 -1.261 1.00 0.00 O ATOM 879 CB GLN A 605 14.792 10.920 -1.097 1.00 0.00 C ATOM 880 CG GLN A 605 15.636 11.508 0.020 1.00 0.00 C ATOM 881 CD GLN A 605 14.997 11.376 1.392 1.00 0.00 C ATOM 882 OE1 GLN A 605 15.690 11.259 2.401 1.00 0.00 O ATOM 883 NE2 GLN A 605 13.674 11.414 1.441 1.00 0.00 N ATOM 0 H GLN A 605 16.500 9.280 -1.736 1.00 0.00 H new ATOM 0 HA GLN A 605 14.361 9.169 0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 605 15.277 11.124 -2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.827 11.426 -1.115 1.00 0.00 H new ATOM 0 HG2 GLN A 605 16.607 11.013 0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 605 15.818 12.562 -0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 605 13.134 11.512 0.581 1.00 0.00 H new ATOM 0 HE22 GLN A 605 13.195 11.345 2.339 1.00 0.00 H new ATOM 892 N LYS A 606 13.533 8.670 -3.062 1.00 0.00 N ATOM 893 CA LYS A 606 12.408 8.266 -3.901 1.00 0.00 C ATOM 894 C LYS A 606 11.927 6.872 -3.531 1.00 0.00 C ATOM 895 O LYS A 606 10.786 6.503 -3.799 1.00 0.00 O ATOM 896 CB LYS A 606 12.749 8.361 -5.393 1.00 0.00 C ATOM 897 CG LYS A 606 13.860 7.451 -5.888 1.00 0.00 C ATOM 898 CD LYS A 606 13.336 6.104 -6.351 1.00 0.00 C ATOM 899 CE LYS A 606 14.405 5.335 -7.115 1.00 0.00 C ATOM 900 NZ LYS A 606 13.911 4.020 -7.609 1.00 0.00 N ATOM 0 H LYS A 606 14.439 8.671 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 606 11.592 8.964 -3.714 1.00 0.00 H new ATOM 0 HB2 LYS A 606 11.847 8.142 -5.965 1.00 0.00 H new ATOM 0 HB3 LYS A 606 13.026 9.391 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 606 14.385 7.937 -6.710 1.00 0.00 H new ATOM 0 HG3 LYS A 606 14.587 7.301 -5.090 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.010 5.521 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 606 12.463 6.249 -6.987 1.00 0.00 H new ATOM 0 HE2 LYS A 606 14.746 5.933 -7.960 1.00 0.00 H new ATOM 0 HE3 LYS A 606 15.268 5.177 -6.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 14.673 3.533 -8.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 13.610 3.437 -6.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 13.104 4.170 -8.248 1.00 0.00 H new ATOM 914 N VAL A 607 12.803 6.102 -2.914 1.00 0.00 N ATOM 915 CA VAL A 607 12.435 4.784 -2.416 1.00 0.00 C ATOM 916 C VAL A 607 11.799 4.926 -1.042 1.00 0.00 C ATOM 917 O VAL A 607 10.747 4.364 -0.767 1.00 0.00 O ATOM 918 CB VAL A 607 13.652 3.842 -2.318 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.240 2.491 -1.753 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.311 3.670 -3.676 1.00 0.00 C ATOM 0 H VAL A 607 13.774 6.363 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 607 11.730 4.346 -3.123 1.00 0.00 H new ATOM 0 HB VAL A 607 14.376 4.294 -1.640 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.113 1.841 -1.692 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.818 2.626 -0.757 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.494 2.036 -2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.167 3.002 -3.583 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.593 3.245 -4.378 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.646 4.640 -4.043 1.00 0.00 H new ATOM 930 N LEU A 608 12.452 5.713 -0.204 1.00 0.00 N ATOM 931 CA LEU A 608 11.994 5.987 1.150 1.00 0.00 C ATOM 932 C LEU A 608 10.603 6.618 1.151 1.00 0.00 C ATOM 933 O LEU A 608 9.713 6.187 1.883 1.00 0.00 O ATOM 934 CB LEU A 608 12.994 6.924 1.823 1.00 0.00 C ATOM 935 CG LEU A 608 14.377 6.327 2.069 1.00 0.00 C ATOM 936 CD1 LEU A 608 15.313 7.376 2.651 1.00 0.00 C ATOM 937 CD2 LEU A 608 14.281 5.123 2.993 1.00 0.00 C ATOM 0 H LEU A 608 13.323 6.185 -0.445 1.00 0.00 H new ATOM 0 HA LEU A 608 11.928 5.047 1.698 1.00 0.00 H new ATOM 0 HB2 LEU A 608 13.105 7.816 1.206 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.580 7.247 2.778 1.00 0.00 H new ATOM 0 HG LEU A 608 14.785 5.994 1.114 1.00 0.00 H new ATOM 0 HD11 LEU A 608 16.295 6.934 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.405 8.208 1.953 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.910 7.738 3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 608 15.276 4.710 3.157 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.853 5.430 3.947 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.644 4.365 2.537 1.00 0.00 H new ATOM 949 N ALA A 609 10.425 7.634 0.318 1.00 0.00 N ATOM 950 CA ALA A 609 9.155 8.338 0.225 1.00 0.00 C ATOM 951 C ALA A 609 8.074 7.431 -0.351 1.00 0.00 C ATOM 952 O ALA A 609 6.912 7.502 0.049 1.00 0.00 O ATOM 953 CB ALA A 609 9.315 9.589 -0.622 1.00 0.00 C ATOM 0 H ALA A 609 11.149 7.990 -0.306 1.00 0.00 H new ATOM 0 HA ALA A 609 8.846 8.632 1.228 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.360 10.110 -0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 609 10.056 10.245 -0.165 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.645 9.311 -1.623 1.00 0.00 H new ATOM 959 N ASP A 610 8.465 6.575 -1.288 1.00 0.00 N ATOM 960 CA ASP A 610 7.538 5.624 -1.896 1.00 0.00 C ATOM 961 C ASP A 610 7.198 4.521 -0.905 1.00 0.00 C ATOM 962 O ASP A 610 6.084 4.009 -0.887 1.00 0.00 O ATOM 963 CB ASP A 610 8.142 5.032 -3.172 1.00 0.00 C ATOM 964 CG ASP A 610 7.181 4.131 -3.923 1.00 0.00 C ATOM 965 OD1 ASP A 610 6.040 4.559 -4.197 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.581 3.002 -4.282 1.00 0.00 O ATOM 0 H ASP A 610 9.419 6.519 -1.645 1.00 0.00 H new ATOM 0 HA ASP A 610 6.620 6.149 -2.163 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.457 5.843 -3.828 1.00 0.00 H new ATOM 0 HB3 ASP A 610 9.036 4.465 -2.914 1.00 0.00 H new ATOM 971 N MET A 611 8.171 4.175 -0.072 1.00 0.00 N ATOM 972 CA MET A 611 7.981 3.194 0.989 1.00 0.00 C ATOM 973 C MET A 611 6.910 3.651 1.965 1.00 0.00 C ATOM 974 O MET A 611 5.965 2.916 2.256 1.00 0.00 O ATOM 975 CB MET A 611 9.299 2.957 1.730 1.00 0.00 C ATOM 976 CG MET A 611 9.157 2.104 2.978 1.00 0.00 C ATOM 977 SD MET A 611 10.738 1.804 3.791 1.00 0.00 S ATOM 978 CE MET A 611 11.178 3.464 4.306 1.00 0.00 C ATOM 0 H MET A 611 9.112 4.566 -0.112 1.00 0.00 H new ATOM 0 HA MET A 611 7.654 2.259 0.534 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.005 2.477 1.052 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.727 3.920 2.007 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.481 2.597 3.676 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.702 1.150 2.713 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.746 3.418 5.235 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.784 3.936 3.533 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.271 4.048 4.463 1.00 0.00 H new ATOM 988 N ALA A 612 7.054 4.873 2.463 1.00 0.00 N ATOM 989 CA ALA A 612 6.089 5.426 3.398 1.00 0.00 C ATOM 990 C ALA A 612 4.733 5.610 2.726 1.00 0.00 C ATOM 991 O ALA A 612 3.690 5.436 3.353 1.00 0.00 O ATOM 992 CB ALA A 612 6.592 6.745 3.968 1.00 0.00 C ATOM 0 H ALA A 612 7.828 5.496 2.234 1.00 0.00 H new ATOM 0 HA ALA A 612 5.967 4.722 4.222 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.856 7.144 4.666 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.535 6.580 4.490 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.746 7.457 3.157 1.00 0.00 H new ATOM 998 N ALA A 613 4.757 5.945 1.442 1.00 0.00 N ATOM 999 CA ALA A 613 3.533 6.096 0.672 1.00 0.00 C ATOM 1000 C ALA A 613 2.847 4.749 0.476 1.00 0.00 C ATOM 1001 O ALA A 613 1.626 4.671 0.393 1.00 0.00 O ATOM 1002 CB ALA A 613 3.826 6.737 -0.674 1.00 0.00 C ATOM 0 H ALA A 613 5.612 6.117 0.913 1.00 0.00 H new ATOM 0 HA ALA A 613 2.860 6.747 1.230 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.898 6.842 -1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.270 7.720 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.520 6.109 -1.233 1.00 0.00 H new ATOM 1008 N ALA A 614 3.643 3.691 0.410 1.00 0.00 N ATOM 1009 CA ALA A 614 3.120 2.346 0.219 1.00 0.00 C ATOM 1010 C ALA A 614 2.358 1.875 1.447 1.00 0.00 C ATOM 1011 O ALA A 614 1.233 1.396 1.337 1.00 0.00 O ATOM 1012 CB ALA A 614 4.246 1.376 -0.107 1.00 0.00 C ATOM 0 H ALA A 614 4.659 3.739 0.486 1.00 0.00 H new ATOM 0 HA ALA A 614 2.427 2.373 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.836 0.376 -0.246 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.746 1.694 -1.022 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.964 1.363 0.713 1.00 0.00 H new ATOM 1018 N GLU A 615 2.969 2.028 2.615 1.00 0.00 N ATOM 1019 CA GLU A 615 2.351 1.577 3.855 1.00 0.00 C ATOM 1020 C GLU A 615 1.109 2.400 4.184 1.00 0.00 C ATOM 1021 O GLU A 615 0.085 1.846 4.582 1.00 0.00 O ATOM 1022 CB GLU A 615 3.352 1.615 5.013 1.00 0.00 C ATOM 1023 CG GLU A 615 4.047 2.953 5.196 1.00 0.00 C ATOM 1024 CD GLU A 615 4.980 2.962 6.386 1.00 0.00 C ATOM 1025 OE1 GLU A 615 6.048 2.322 6.313 1.00 0.00 O ATOM 1026 OE2 GLU A 615 4.642 3.599 7.407 1.00 0.00 O ATOM 0 H GLU A 615 3.887 2.458 2.730 1.00 0.00 H new ATOM 0 HA GLU A 615 2.039 0.543 3.712 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.831 1.360 5.936 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.107 0.846 4.850 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.611 3.192 4.294 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.297 3.734 5.320 1.00 0.00 H new ATOM 1033 N GLN A 616 1.185 3.714 3.991 1.00 0.00 N ATOM 1034 CA GLN A 616 0.043 4.574 4.278 1.00 0.00 C ATOM 1035 C GLN A 616 -1.093 4.306 3.293 1.00 0.00 C ATOM 1036 O GLN A 616 -2.262 4.325 3.675 1.00 0.00 O ATOM 1037 CB GLN A 616 0.429 6.061 4.266 1.00 0.00 C ATOM 1038 CG GLN A 616 0.835 6.598 2.904 1.00 0.00 C ATOM 1039 CD GLN A 616 1.111 8.090 2.918 1.00 0.00 C ATOM 1040 OE1 GLN A 616 1.941 8.589 2.159 1.00 0.00 O ATOM 1041 NE2 GLN A 616 0.416 8.818 3.780 1.00 0.00 N ATOM 0 H GLN A 616 2.012 4.200 3.643 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.301 4.334 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 616 -0.414 6.645 4.636 1.00 0.00 H new ATOM 0 HB3 GLN A 616 1.253 6.215 4.963 1.00 0.00 H new ATOM 0 HG2 GLN A 616 1.726 6.072 2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 616 0.044 6.386 2.185 1.00 0.00 H new ATOM 0 HE21 GLN A 616 -0.264 8.370 4.394 1.00 0.00 H new ATOM 0 HE22 GLN A 616 0.561 9.826 3.829 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.750 4.028 2.033 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.759 3.712 1.027 1.00 0.00 C ATOM 1052 C GLU A 617 -2.377 2.355 1.328 1.00 0.00 C ATOM 1053 O GLU A 617 -3.580 2.157 1.162 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.158 3.730 -0.383 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.179 3.501 -1.494 1.00 0.00 C ATOM 1056 CD GLU A 617 -1.590 3.683 -2.878 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -0.680 4.526 -3.037 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -2.049 3.006 -3.818 1.00 0.00 O ATOM 0 H GLU A 617 0.211 4.016 1.690 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.537 4.475 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.668 4.690 -0.546 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.387 2.963 -0.448 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -2.585 2.493 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -3.012 4.192 -1.364 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.546 1.435 1.798 1.00 0.00 N ATOM 1066 CA LEU A 618 -1.997 0.107 2.173 1.00 0.00 C ATOM 1067 C LEU A 618 -3.061 0.178 3.262 1.00 0.00 C ATOM 1068 O LEU A 618 -4.151 -0.371 3.112 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.813 -0.731 2.658 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.162 -2.142 3.134 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.786 -2.948 2.013 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.071 -2.847 3.663 1.00 0.00 C ATOM 0 H LEU A 618 -0.546 1.589 1.929 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.437 -0.363 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.087 -0.808 1.848 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.324 -0.200 3.475 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.888 -2.056 3.943 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.026 -3.948 2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.698 -2.456 1.675 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.084 -3.021 1.183 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.198 -3.849 3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.818 -2.916 2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.481 -2.283 4.501 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.752 0.876 4.346 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.652 0.921 5.485 1.00 0.00 C ATOM 1086 C GLU A 619 -4.910 1.736 5.192 1.00 0.00 C ATOM 1087 O GLU A 619 -5.995 1.363 5.639 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.944 1.460 6.723 1.00 0.00 C ATOM 1089 CG GLU A 619 -2.301 2.816 6.530 1.00 0.00 C ATOM 1090 CD GLU A 619 -1.885 3.432 7.842 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.801 3.082 8.356 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -2.657 4.252 8.385 1.00 0.00 O ATOM 0 H GLU A 619 -1.893 1.414 4.459 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.964 -0.105 5.682 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.663 1.525 7.540 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -2.178 0.747 7.029 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.429 2.716 5.883 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -3.000 3.480 6.022 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.781 2.834 4.441 1.00 0.00 N ATOM 1100 CA GLN A 620 -5.946 3.656 4.110 1.00 0.00 C ATOM 1101 C GLN A 620 -6.886 2.895 3.188 1.00 0.00 C ATOM 1102 O GLN A 620 -8.106 3.046 3.259 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.549 4.987 3.463 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.829 4.843 2.134 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.434 6.176 1.525 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -4.173 7.148 2.233 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -4.380 6.227 0.202 1.00 0.00 N ATOM 0 H GLN A 620 -3.897 3.169 4.057 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.456 3.882 5.047 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.446 5.588 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -4.908 5.537 4.153 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -3.935 4.236 2.275 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.471 4.307 1.435 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -4.604 5.399 -0.350 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -4.115 7.094 -0.265 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.317 2.071 2.324 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.119 1.243 1.453 1.00 0.00 C ATOM 1118 C ALA A 621 -7.722 0.090 2.247 1.00 0.00 C ATOM 1119 O ALA A 621 -8.841 -0.338 1.987 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.288 0.733 0.286 1.00 0.00 C ATOM 0 H ALA A 621 -5.309 1.961 2.211 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.933 1.841 1.042 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.909 0.111 -0.359 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.905 1.579 -0.285 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.453 0.143 0.664 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.971 -0.388 3.232 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.429 -1.458 4.112 1.00 0.00 C ATOM 1128 C PHE A 622 -8.653 -1.027 4.912 1.00 0.00 C ATOM 1129 O PHE A 622 -9.670 -1.720 4.933 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.316 -1.853 5.077 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.797 -3.244 4.870 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.599 -4.341 5.135 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.504 -3.455 4.418 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.123 -5.624 4.953 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.023 -4.737 4.232 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.833 -5.822 4.500 1.00 0.00 C ATOM 0 H PHE A 622 -6.033 -0.048 3.443 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.700 -2.310 3.488 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.491 -1.149 4.972 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.685 -1.762 6.099 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.609 -4.191 5.488 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.866 -2.609 4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.758 -6.472 5.164 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.014 -4.890 3.877 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.459 -6.825 4.356 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.545 0.122 5.573 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.645 0.649 6.376 1.00 0.00 C ATOM 1148 C GLU A 623 -10.845 0.973 5.490 1.00 0.00 C ATOM 1149 O GLU A 623 -11.994 0.850 5.915 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.194 1.884 7.165 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.508 2.930 6.308 1.00 0.00 C ATOM 1152 CD GLU A 623 -7.958 4.090 7.111 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -8.700 5.068 7.343 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -6.774 4.043 7.503 1.00 0.00 O ATOM 0 H GLU A 623 -7.708 0.706 5.569 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.949 -0.115 7.092 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -10.061 2.333 7.649 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -8.514 1.571 7.957 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.694 2.461 5.755 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -9.217 3.309 5.572 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.575 1.378 4.251 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.632 1.553 3.265 1.00 0.00 C ATOM 1163 C ARG A 624 -12.289 0.211 2.973 1.00 0.00 C ATOM 1164 O ARG A 624 -13.510 0.096 2.972 1.00 0.00 O ATOM 1165 CB ARG A 624 -11.083 2.145 1.962 1.00 0.00 C ATOM 1166 CG ARG A 624 -12.131 2.286 0.870 1.00 0.00 C ATOM 1167 CD ARG A 624 -13.115 3.404 1.177 1.00 0.00 C ATOM 1168 NE ARG A 624 -12.540 4.725 0.928 1.00 0.00 N ATOM 1169 CZ ARG A 624 -12.755 5.802 1.686 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -13.476 5.713 2.799 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -12.228 6.965 1.329 1.00 0.00 N ATOM 0 H ARG A 624 -9.637 1.590 3.910 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.367 2.246 3.675 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.653 3.125 2.170 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.273 1.513 1.598 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.640 2.485 -0.083 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.671 1.346 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -14.009 3.277 0.567 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -13.428 3.335 2.219 1.00 0.00 H new ATOM 0 HE ARG A 624 -11.931 4.831 0.117 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -13.871 4.816 3.081 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -13.635 6.542 3.372 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -11.664 7.031 0.482 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -12.387 7.794 1.902 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.456 -0.798 2.743 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.921 -2.138 2.418 1.00 0.00 C ATOM 1187 C TRP A 625 -12.838 -2.686 3.506 1.00 0.00 C ATOM 1188 O TRP A 625 -13.940 -3.156 3.221 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.732 -3.083 2.219 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.156 -4.498 1.994 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.663 -5.028 0.845 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.131 -5.557 2.954 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -11.962 -6.356 1.033 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.641 -6.704 2.320 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.730 -5.645 4.287 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.764 -7.923 2.978 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.845 -6.856 4.939 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.360 -7.981 4.284 1.00 0.00 C ATOM 0 H TRP A 625 -10.441 -0.708 2.777 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.489 -2.074 1.490 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.142 -2.744 1.368 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.084 -3.036 3.095 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.808 -4.484 -0.077 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.358 -6.981 0.330 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.336 -4.780 4.800 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.164 -8.792 2.477 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.533 -6.937 5.970 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.440 -8.915 4.821 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.378 -2.617 4.752 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.154 -3.124 5.877 1.00 0.00 C ATOM 1211 C GLU A 626 -14.474 -2.371 5.995 1.00 0.00 C ATOM 1212 O GLU A 626 -15.504 -2.961 6.311 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.358 -3.017 7.180 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.038 -3.775 7.151 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.321 -3.755 8.486 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -9.942 -2.660 8.948 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.123 -4.841 9.076 1.00 0.00 O ATOM 0 H GLU A 626 -11.475 -2.216 5.007 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.369 -4.177 5.696 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.159 -1.966 7.390 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -12.967 -3.396 8.001 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.224 -4.809 6.859 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.391 -3.340 6.389 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.434 -1.066 5.718 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.640 -0.244 5.679 1.00 0.00 C ATOM 1226 C TYR A 627 -16.571 -0.707 4.565 1.00 0.00 C ATOM 1227 O TYR A 627 -17.782 -0.747 4.746 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.276 1.242 5.499 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.305 2.067 4.745 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.597 2.257 5.231 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -15.972 2.656 3.532 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.519 3.007 4.527 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.891 3.409 2.826 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.162 3.579 3.327 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.083 4.327 2.627 1.00 0.00 O ATOM 0 H TYR A 627 -13.574 -0.556 5.517 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.162 -0.357 6.629 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.127 1.686 6.483 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.324 1.306 4.972 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.882 1.811 6.172 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -14.977 2.523 3.133 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.517 3.144 4.917 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.613 3.862 1.886 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.673 4.662 1.802 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.004 -1.065 3.422 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.803 -1.486 2.279 1.00 0.00 C ATOM 1247 C LEU A 628 -17.529 -2.796 2.578 1.00 0.00 C ATOM 1248 O LEU A 628 -18.719 -2.934 2.292 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.927 -1.619 1.030 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.196 -0.344 0.619 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.504 -0.535 -0.717 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.153 0.834 0.563 1.00 0.00 C ATOM 0 H LEU A 628 -14.997 -1.073 3.261 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.556 -0.721 2.087 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.190 -2.403 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.552 -1.946 0.199 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.438 -0.128 1.372 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -13.988 0.384 -0.994 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.782 -1.348 -0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.244 -0.779 -1.479 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.609 1.731 0.268 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -16.939 0.630 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.599 0.987 1.546 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.808 -3.748 3.168 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.416 -4.992 3.639 1.00 0.00 C ATOM 1266 C GLU A 629 -18.465 -4.695 4.698 1.00 0.00 C ATOM 1267 O GLU A 629 -19.570 -5.243 4.677 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.357 -5.916 4.239 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.920 -7.044 3.321 1.00 0.00 C ATOM 1270 CD GLU A 629 -17.056 -8.004 3.020 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -17.355 -8.862 3.881 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -17.664 -7.903 1.936 1.00 0.00 O ATOM 0 H GLU A 629 -15.803 -3.682 3.331 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.882 -5.483 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.483 -5.322 4.507 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.747 -6.345 5.162 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -15.541 -6.626 2.388 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -15.097 -7.589 3.783 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.101 -3.817 5.620 1.00 0.00 N ATOM 1280 CA ALA A 630 -18.976 -3.446 6.715 1.00 0.00 C ATOM 1281 C ALA A 630 -20.239 -2.763 6.209 1.00 0.00 C ATOM 1282 O ALA A 630 -21.322 -2.974 6.748 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.246 -2.540 7.697 1.00 0.00 C ATOM 0 H ALA A 630 -17.196 -3.346 5.629 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.270 -4.361 7.229 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -18.918 -2.271 8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.378 -3.063 8.099 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -17.919 -1.636 7.184 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.096 -1.944 5.176 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.224 -1.218 4.613 1.00 0.00 C ATOM 1291 C LEU A 631 -22.177 -2.176 3.914 1.00 0.00 C ATOM 1292 O LEU A 631 -23.395 -2.033 4.001 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.749 -0.167 3.615 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.793 0.892 3.277 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.957 1.848 4.441 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.420 1.641 2.013 1.00 0.00 C ATOM 0 H LEU A 631 -19.206 -1.766 4.710 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.743 -0.722 5.433 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.865 0.327 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.444 -0.667 2.696 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.745 0.393 3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.704 2.601 4.191 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.280 1.295 5.323 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -21.005 2.337 4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.182 2.390 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.457 2.133 2.152 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.353 0.940 1.181 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.603 -3.149 3.222 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.382 -4.148 2.510 1.00 0.00 C ATOM 1310 C LYS A 632 -23.308 -4.889 3.474 1.00 0.00 C ATOM 1311 O LYS A 632 -24.481 -5.135 3.173 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.447 -5.148 1.829 1.00 0.00 C ATOM 1313 CG LYS A 632 -22.173 -6.286 1.128 1.00 0.00 C ATOM 1314 CD LYS A 632 -21.255 -7.476 0.905 1.00 0.00 C ATOM 1315 CE LYS A 632 -20.162 -7.175 -0.107 1.00 0.00 C ATOM 1316 NZ LYS A 632 -19.195 -8.299 -0.223 1.00 0.00 N ATOM 0 H LYS A 632 -20.593 -3.267 3.139 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.987 -3.644 1.756 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.832 -4.619 1.101 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.771 -5.565 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -23.032 -6.594 1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -22.559 -5.938 0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -20.801 -7.765 1.853 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -21.843 -8.327 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -20.611 -6.980 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -19.633 -6.269 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.857 -8.366 -1.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -18.388 -8.130 0.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -19.663 -9.189 0.043 1.00 0.00 H new