USER MOD reduce.3.24.130724 H: found=0, std=0, add=556, rem=0, adj=12 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 35:sc= 0.0407 USER MOD Single : A 564 TYR OH : rot 180:sc= 0 USER MOD Single : A 565 LYS NZ :NH3+ -156:sc= -0.187 (180deg=-0.85) USER MOD Single : A 567 GLN : amide:sc= -0.0641 K(o=-0.064,f=-0.78) USER MOD Single : A 572 GLN : amide:sc= 0.284 K(o=0.28,f=-0.38) USER MOD Single : A 575 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 583 LYS NZ :NH3+ 166:sc= 0.15 (180deg=0.0972) USER MOD Single : A 588 GLN : amide:sc= -0.617 K(o=-0.62,f=-3.7!) USER MOD Single : A 589 THR OG1 : rot 180:sc= 0 USER MOD Single : A 590 GLN : amide:sc= -1.93! C(o=-1.9!,f=-4.4!) USER MOD Single : A 595 SER OG : rot 180:sc= 0 USER MOD Single : A 598 SER OG : rot -36:sc= 0.0907 USER MOD Single : A 599 GLN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 601 HIS : no HD1:sc= -2.72! C(o=-2.7!,f=-3.9!) USER MOD Single : A 603 GLN : amide:sc= -0.386 K(o=-0.39,f=-4.8!) USER MOD Single : A 604 THR OG1 : rot 180:sc= -0.616 USER MOD Single : A 605 GLN : amide:sc= -2.38! K(o=-2.4!,f=-0.38) USER MOD Single : A 606 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.103) USER MOD Single : A 611 MET CE :methyl 166:sc= -0.13 (180deg=-0.325) USER MOD Single : A 616 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.19) USER MOD Single : A 620 GLN : amide:sc= -1.66 K(o=-1.7,f=-4.6!) USER MOD Single : A 627 TYR OH : rot 180:sc= 0 USER MOD Single : A 632 LYS NZ :NH3+ 178:sc= 1.14 (180deg=1.09) USER MOD ----------------------------------------------------------------- ATOM 198 N SER A 563 -22.802 1.403 -2.825 1.00 0.00 N ATOM 199 CA SER A 563 -22.692 2.293 -3.963 1.00 0.00 C ATOM 200 C SER A 563 -21.712 1.693 -4.981 1.00 0.00 C ATOM 201 O SER A 563 -20.823 0.941 -4.586 1.00 0.00 O ATOM 202 CB SER A 563 -22.218 3.661 -3.477 1.00 0.00 C ATOM 203 OG SER A 563 -23.177 4.261 -2.615 1.00 0.00 O ATOM 0 HA SER A 563 -23.659 2.414 -4.451 1.00 0.00 H new ATOM 0 HB2 SER A 563 -21.269 3.554 -2.951 1.00 0.00 H new ATOM 0 HB3 SER A 563 -22.037 4.311 -4.333 1.00 0.00 H new ATOM 0 HG SER A 563 -23.620 3.566 -2.084 1.00 0.00 H new ATOM 209 N TYR A 564 -21.852 1.995 -6.271 1.00 0.00 N ATOM 210 CA TYR A 564 -21.040 1.314 -7.287 1.00 0.00 C ATOM 211 C TYR A 564 -19.555 1.576 -7.078 1.00 0.00 C ATOM 212 O TYR A 564 -18.727 0.693 -7.319 1.00 0.00 O ATOM 213 CB TYR A 564 -21.430 1.710 -8.709 1.00 0.00 C ATOM 214 CG TYR A 564 -20.867 0.756 -9.741 1.00 0.00 C ATOM 215 CD1 TYR A 564 -19.574 0.903 -10.232 1.00 0.00 C ATOM 216 CD2 TYR A 564 -21.621 -0.312 -10.199 1.00 0.00 C ATOM 217 CE1 TYR A 564 -19.052 0.014 -11.151 1.00 0.00 C ATOM 218 CE2 TYR A 564 -21.108 -1.209 -11.117 1.00 0.00 C ATOM 219 CZ TYR A 564 -19.825 -1.042 -11.592 1.00 0.00 C ATOM 220 OH TYR A 564 -19.312 -1.941 -12.503 1.00 0.00 O ATOM 0 H TYR A 564 -22.504 2.690 -6.635 1.00 0.00 H new ATOM 0 HA TYR A 564 -21.239 0.249 -7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 564 -22.516 1.734 -8.793 1.00 0.00 H new ATOM 0 HB3 TYR A 564 -21.072 2.719 -8.915 1.00 0.00 H new ATOM 0 HD1 TYR A 564 -18.967 1.728 -9.888 1.00 0.00 H new ATOM 0 HD2 TYR A 564 -22.628 -0.446 -9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 564 -18.046 0.144 -11.522 1.00 0.00 H new ATOM 0 HE2 TYR A 564 -21.710 -2.037 -11.461 1.00 0.00 H new ATOM 0 HH TYR A 564 -19.987 -2.622 -12.706 1.00 0.00 H new ATOM 230 N LYS A 565 -19.220 2.779 -6.608 1.00 0.00 N ATOM 231 CA LYS A 565 -17.830 3.127 -6.323 1.00 0.00 C ATOM 232 C LYS A 565 -17.221 2.086 -5.404 1.00 0.00 C ATOM 233 O LYS A 565 -16.041 1.794 -5.475 1.00 0.00 O ATOM 234 CB LYS A 565 -17.700 4.496 -5.640 1.00 0.00 C ATOM 235 CG LYS A 565 -18.635 5.577 -6.156 1.00 0.00 C ATOM 236 CD LYS A 565 -19.979 5.536 -5.445 1.00 0.00 C ATOM 237 CE LYS A 565 -20.724 6.853 -5.571 1.00 0.00 C ATOM 238 NZ LYS A 565 -19.951 7.980 -4.985 1.00 0.00 N ATOM 0 H LYS A 565 -19.890 3.524 -6.418 1.00 0.00 H new ATOM 0 HA LYS A 565 -17.310 3.164 -7.280 1.00 0.00 H new ATOM 0 HB2 LYS A 565 -17.876 4.368 -4.572 1.00 0.00 H new ATOM 0 HB3 LYS A 565 -16.673 4.843 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 565 -18.176 6.555 -6.013 1.00 0.00 H new ATOM 0 HG3 LYS A 565 -18.785 5.449 -7.228 1.00 0.00 H new ATOM 0 HD2 LYS A 565 -20.587 4.733 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 565 -19.826 5.305 -4.391 1.00 0.00 H new ATOM 0 HE2 LYS A 565 -20.926 7.058 -6.622 1.00 0.00 H new ATOM 0 HE3 LYS A 565 -21.689 6.775 -5.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 565 -20.602 8.745 -4.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 565 -19.439 7.649 -4.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 565 -19.271 8.336 -5.686 1.00 0.00 H new ATOM 252 N LEU A 566 -18.056 1.540 -4.542 1.00 0.00 N ATOM 253 CA LEU A 566 -17.645 0.527 -3.591 1.00 0.00 C ATOM 254 C LEU A 566 -17.730 -0.851 -4.213 1.00 0.00 C ATOM 255 O LEU A 566 -16.919 -1.725 -3.920 1.00 0.00 O ATOM 256 CB LEU A 566 -18.530 0.578 -2.355 1.00 0.00 C ATOM 257 CG LEU A 566 -18.447 1.858 -1.526 1.00 0.00 C ATOM 258 CD1 LEU A 566 -19.112 3.035 -2.221 1.00 0.00 C ATOM 259 CD2 LEU A 566 -19.085 1.620 -0.188 1.00 0.00 C ATOM 0 H LEU A 566 -19.044 1.788 -4.482 1.00 0.00 H new ATOM 0 HA LEU A 566 -16.612 0.726 -3.306 1.00 0.00 H new ATOM 0 HB2 LEU A 566 -19.565 0.437 -2.667 1.00 0.00 H new ATOM 0 HB3 LEU A 566 -18.273 -0.265 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 566 -17.395 2.113 -1.401 1.00 0.00 H new ATOM 0 HD11 LEU A 566 -19.028 3.923 -1.594 1.00 0.00 H new ATOM 0 HD12 LEU A 566 -18.621 3.218 -3.177 1.00 0.00 H new ATOM 0 HD13 LEU A 566 -20.165 2.810 -2.391 1.00 0.00 H new ATOM 0 HD21 LEU A 566 -19.029 2.530 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 566 -20.129 1.341 -0.327 1.00 0.00 H new ATOM 0 HD23 LEU A 566 -18.560 0.815 0.327 1.00 0.00 H new ATOM 271 N GLN A 567 -18.719 -1.030 -5.077 1.00 0.00 N ATOM 272 CA GLN A 567 -18.947 -2.305 -5.738 1.00 0.00 C ATOM 273 C GLN A 567 -17.716 -2.736 -6.522 1.00 0.00 C ATOM 274 O GLN A 567 -17.247 -3.860 -6.379 1.00 0.00 O ATOM 275 CB GLN A 567 -20.166 -2.225 -6.660 1.00 0.00 C ATOM 276 CG GLN A 567 -21.481 -2.098 -5.908 1.00 0.00 C ATOM 277 CD GLN A 567 -22.689 -2.097 -6.826 1.00 0.00 C ATOM 278 OE1 GLN A 567 -22.676 -2.708 -7.896 1.00 0.00 O ATOM 279 NE2 GLN A 567 -23.746 -1.417 -6.411 1.00 0.00 N ATOM 0 H GLN A 567 -19.382 -0.300 -5.338 1.00 0.00 H new ATOM 0 HA GLN A 567 -19.143 -3.053 -4.970 1.00 0.00 H new ATOM 0 HB2 GLN A 567 -20.053 -1.370 -7.327 1.00 0.00 H new ATOM 0 HB3 GLN A 567 -20.198 -3.116 -7.286 1.00 0.00 H new ATOM 0 HG2 GLN A 567 -21.570 -2.922 -5.200 1.00 0.00 H new ATOM 0 HG3 GLN A 567 -21.473 -1.177 -5.325 1.00 0.00 H new ATOM 0 HE21 GLN A 567 -23.717 -0.924 -5.518 1.00 0.00 H new ATOM 0 HE22 GLN A 567 -24.589 -1.386 -6.984 1.00 0.00 H new ATOM 288 N ARG A 568 -17.181 -1.834 -7.332 1.00 0.00 N ATOM 289 CA ARG A 568 -15.993 -2.149 -8.111 1.00 0.00 C ATOM 290 C ARG A 568 -14.736 -1.954 -7.262 1.00 0.00 C ATOM 291 O ARG A 568 -13.678 -2.505 -7.558 1.00 0.00 O ATOM 292 CB ARG A 568 -15.953 -1.320 -9.406 1.00 0.00 C ATOM 293 CG ARG A 568 -15.167 -0.022 -9.338 1.00 0.00 C ATOM 294 CD ARG A 568 -15.821 0.972 -8.406 1.00 0.00 C ATOM 295 NE ARG A 568 -15.140 2.267 -8.412 1.00 0.00 N ATOM 296 CZ ARG A 568 -13.986 2.508 -7.781 1.00 0.00 C ATOM 297 NH1 ARG A 568 -13.336 1.524 -7.174 1.00 0.00 N ATOM 298 NH2 ARG A 568 -13.472 3.729 -7.773 1.00 0.00 N ATOM 0 H ARG A 568 -17.545 -0.891 -7.466 1.00 0.00 H new ATOM 0 HA ARG A 568 -16.030 -3.198 -8.406 1.00 0.00 H new ATOM 0 HB2 ARG A 568 -15.529 -1.938 -10.197 1.00 0.00 H new ATOM 0 HB3 ARG A 568 -16.977 -1.087 -9.698 1.00 0.00 H new ATOM 0 HG2 ARG A 568 -14.152 -0.227 -8.999 1.00 0.00 H new ATOM 0 HG3 ARG A 568 -15.088 0.410 -10.336 1.00 0.00 H new ATOM 0 HD2 ARG A 568 -16.862 1.110 -8.697 1.00 0.00 H new ATOM 0 HD3 ARG A 568 -15.824 0.570 -7.393 1.00 0.00 H new ATOM 0 HE ARG A 568 -15.572 3.033 -8.929 1.00 0.00 H new ATOM 0 HH11 ARG A 568 -13.716 0.578 -7.187 1.00 0.00 H new ATOM 0 HH12 ARG A 568 -12.456 1.714 -6.694 1.00 0.00 H new ATOM 0 HH21 ARG A 568 -13.957 4.490 -8.249 1.00 0.00 H new ATOM 0 HH22 ARG A 568 -12.591 3.909 -7.290 1.00 0.00 H new ATOM 312 N GLU A 569 -14.868 -1.167 -6.198 1.00 0.00 N ATOM 313 CA GLU A 569 -13.766 -0.939 -5.263 1.00 0.00 C ATOM 314 C GLU A 569 -13.401 -2.240 -4.567 1.00 0.00 C ATOM 315 O GLU A 569 -12.250 -2.664 -4.572 1.00 0.00 O ATOM 316 CB GLU A 569 -14.154 0.114 -4.214 1.00 0.00 C ATOM 317 CG GLU A 569 -12.980 0.649 -3.413 1.00 0.00 C ATOM 318 CD GLU A 569 -12.191 1.694 -4.173 1.00 0.00 C ATOM 319 OE1 GLU A 569 -11.502 1.338 -5.155 1.00 0.00 O ATOM 320 OE2 GLU A 569 -12.275 2.882 -3.800 1.00 0.00 O ATOM 0 H GLU A 569 -15.729 -0.674 -5.960 1.00 0.00 H new ATOM 0 HA GLU A 569 -12.907 -0.573 -5.826 1.00 0.00 H new ATOM 0 HB2 GLU A 569 -14.648 0.946 -4.715 1.00 0.00 H new ATOM 0 HB3 GLU A 569 -14.880 -0.322 -3.528 1.00 0.00 H new ATOM 0 HG2 GLU A 569 -13.346 1.080 -2.481 1.00 0.00 H new ATOM 0 HG3 GLU A 569 -12.320 -0.176 -3.145 1.00 0.00 H new ATOM 327 N LEU A 570 -14.414 -2.881 -4.007 1.00 0.00 N ATOM 328 CA LEU A 570 -14.249 -4.106 -3.239 1.00 0.00 C ATOM 329 C LEU A 570 -13.741 -5.248 -4.133 1.00 0.00 C ATOM 330 O LEU A 570 -13.241 -6.257 -3.644 1.00 0.00 O ATOM 331 CB LEU A 570 -15.593 -4.463 -2.592 1.00 0.00 C ATOM 332 CG LEU A 570 -15.539 -5.025 -1.164 1.00 0.00 C ATOM 333 CD1 LEU A 570 -16.945 -5.153 -0.589 1.00 0.00 C ATOM 334 CD2 LEU A 570 -14.839 -6.373 -1.126 1.00 0.00 C ATOM 0 H LEU A 570 -15.381 -2.564 -4.073 1.00 0.00 H new ATOM 0 HA LEU A 570 -13.502 -3.954 -2.460 1.00 0.00 H new ATOM 0 HB2 LEU A 570 -16.215 -3.568 -2.583 1.00 0.00 H new ATOM 0 HB3 LEU A 570 -16.094 -5.193 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 570 -14.966 -4.326 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 570 -16.889 -5.553 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 570 -17.419 -4.172 -0.566 1.00 0.00 H new ATOM 0 HD13 LEU A 570 -17.533 -5.826 -1.213 1.00 0.00 H new ATOM 0 HD21 LEU A 570 -14.818 -6.743 -0.101 1.00 0.00 H new ATOM 0 HD22 LEU A 570 -15.378 -7.081 -1.756 1.00 0.00 H new ATOM 0 HD23 LEU A 570 -13.819 -6.264 -1.494 1.00 0.00 H new ATOM 346 N GLU A 571 -13.886 -5.090 -5.442 1.00 0.00 N ATOM 347 CA GLU A 571 -13.385 -6.080 -6.393 1.00 0.00 C ATOM 348 C GLU A 571 -11.863 -6.055 -6.478 1.00 0.00 C ATOM 349 O GLU A 571 -11.213 -7.099 -6.421 1.00 0.00 O ATOM 350 CB GLU A 571 -13.969 -5.842 -7.785 1.00 0.00 C ATOM 351 CG GLU A 571 -15.477 -5.971 -7.862 1.00 0.00 C ATOM 352 CD GLU A 571 -15.979 -5.907 -9.288 1.00 0.00 C ATOM 353 OE1 GLU A 571 -16.017 -4.800 -9.865 1.00 0.00 O ATOM 354 OE2 GLU A 571 -16.317 -6.971 -9.850 1.00 0.00 O ATOM 0 H GLU A 571 -14.346 -4.287 -5.872 1.00 0.00 H new ATOM 0 HA GLU A 571 -13.700 -7.058 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 571 -13.684 -4.844 -8.119 1.00 0.00 H new ATOM 0 HB3 GLU A 571 -13.520 -6.551 -8.480 1.00 0.00 H new ATOM 0 HG2 GLU A 571 -15.784 -6.915 -7.412 1.00 0.00 H new ATOM 0 HG3 GLU A 571 -15.939 -5.175 -7.279 1.00 0.00 H new ATOM 361 N GLN A 572 -11.300 -4.869 -6.618 1.00 0.00 N ATOM 362 CA GLN A 572 -9.865 -4.735 -6.828 1.00 0.00 C ATOM 363 C GLN A 572 -9.110 -4.614 -5.511 1.00 0.00 C ATOM 364 O GLN A 572 -7.973 -5.066 -5.386 1.00 0.00 O ATOM 365 CB GLN A 572 -9.570 -3.505 -7.691 1.00 0.00 C ATOM 366 CG GLN A 572 -10.251 -2.232 -7.204 1.00 0.00 C ATOM 367 CD GLN A 572 -9.744 -0.989 -7.907 1.00 0.00 C ATOM 368 OE1 GLN A 572 -9.314 -1.046 -9.057 1.00 0.00 O ATOM 369 NE2 GLN A 572 -9.798 0.147 -7.228 1.00 0.00 N ATOM 0 H GLN A 572 -11.810 -3.986 -6.591 1.00 0.00 H new ATOM 0 HA GLN A 572 -9.526 -5.638 -7.336 1.00 0.00 H new ATOM 0 HB2 GLN A 572 -8.493 -3.342 -7.718 1.00 0.00 H new ATOM 0 HB3 GLN A 572 -9.887 -3.707 -8.714 1.00 0.00 H new ATOM 0 HG2 GLN A 572 -11.326 -2.319 -7.359 1.00 0.00 H new ATOM 0 HG3 GLN A 572 -10.091 -2.128 -6.131 1.00 0.00 H new ATOM 0 HE21 GLN A 572 -10.162 0.155 -6.275 1.00 0.00 H new ATOM 0 HE22 GLN A 572 -9.476 1.014 -7.658 1.00 0.00 H new ATOM 378 N LEU A 573 -9.769 -4.009 -4.544 1.00 0.00 N ATOM 379 CA LEU A 573 -9.151 -3.618 -3.280 1.00 0.00 C ATOM 380 C LEU A 573 -8.397 -4.781 -2.598 1.00 0.00 C ATOM 381 O LEU A 573 -7.250 -4.604 -2.211 1.00 0.00 O ATOM 382 CB LEU A 573 -10.236 -3.056 -2.362 1.00 0.00 C ATOM 383 CG LEU A 573 -9.817 -1.915 -1.437 1.00 0.00 C ATOM 384 CD1 LEU A 573 -11.006 -1.439 -0.628 1.00 0.00 C ATOM 385 CD2 LEU A 573 -8.677 -2.332 -0.529 1.00 0.00 C ATOM 0 H LEU A 573 -10.758 -3.770 -4.608 1.00 0.00 H new ATOM 0 HA LEU A 573 -8.399 -2.857 -3.486 1.00 0.00 H new ATOM 0 HB2 LEU A 573 -11.062 -2.708 -2.982 1.00 0.00 H new ATOM 0 HB3 LEU A 573 -10.620 -3.871 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 573 -9.459 -1.090 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 573 -10.697 -0.625 0.028 1.00 0.00 H new ATOM 0 HD12 LEU A 573 -11.786 -1.085 -1.302 1.00 0.00 H new ATOM 0 HD13 LEU A 573 -11.391 -2.263 -0.028 1.00 0.00 H new ATOM 0 HD21 LEU A 573 -8.402 -1.498 0.117 1.00 0.00 H new ATOM 0 HD22 LEU A 573 -8.990 -3.177 0.084 1.00 0.00 H new ATOM 0 HD23 LEU A 573 -7.817 -2.621 -1.134 1.00 0.00 H new ATOM 397 N PRO A 574 -9.005 -5.977 -2.425 1.00 0.00 N ATOM 398 CA PRO A 574 -8.315 -7.115 -1.793 1.00 0.00 C ATOM 399 C PRO A 574 -7.002 -7.475 -2.494 1.00 0.00 C ATOM 400 O PRO A 574 -5.984 -7.714 -1.839 1.00 0.00 O ATOM 401 CB PRO A 574 -9.315 -8.262 -1.919 1.00 0.00 C ATOM 402 CG PRO A 574 -10.642 -7.600 -2.052 1.00 0.00 C ATOM 403 CD PRO A 574 -10.389 -6.320 -2.793 1.00 0.00 C ATOM 0 HA PRO A 574 -8.033 -6.888 -0.765 1.00 0.00 H new ATOM 0 HB2 PRO A 574 -9.095 -8.884 -2.786 1.00 0.00 H new ATOM 0 HB3 PRO A 574 -9.283 -8.912 -1.044 1.00 0.00 H new ATOM 0 HG2 PRO A 574 -11.342 -8.234 -2.595 1.00 0.00 H new ATOM 0 HG3 PRO A 574 -11.081 -7.405 -1.074 1.00 0.00 H new ATOM 0 HD2 PRO A 574 -10.497 -6.451 -3.870 1.00 0.00 H new ATOM 0 HD3 PRO A 574 -11.089 -5.539 -2.495 1.00 0.00 H new ATOM 411 N GLN A 575 -7.022 -7.491 -3.825 1.00 0.00 N ATOM 412 CA GLN A 575 -5.814 -7.775 -4.596 1.00 0.00 C ATOM 413 C GLN A 575 -4.827 -6.624 -4.481 1.00 0.00 C ATOM 414 O GLN A 575 -3.620 -6.805 -4.626 1.00 0.00 O ATOM 415 CB GLN A 575 -6.144 -8.026 -6.067 1.00 0.00 C ATOM 416 CG GLN A 575 -6.790 -9.377 -6.331 1.00 0.00 C ATOM 417 CD GLN A 575 -6.964 -9.656 -7.811 1.00 0.00 C ATOM 418 OE1 GLN A 575 -6.203 -9.163 -8.641 1.00 0.00 O ATOM 419 NE2 GLN A 575 -7.957 -10.460 -8.153 1.00 0.00 N ATOM 0 H GLN A 575 -7.854 -7.312 -4.388 1.00 0.00 H new ATOM 0 HA GLN A 575 -5.363 -8.678 -4.184 1.00 0.00 H new ATOM 0 HB2 GLN A 575 -6.812 -7.240 -6.419 1.00 0.00 H new ATOM 0 HB3 GLN A 575 -5.228 -7.952 -6.653 1.00 0.00 H new ATOM 0 HG2 GLN A 575 -6.179 -10.162 -5.886 1.00 0.00 H new ATOM 0 HG3 GLN A 575 -7.763 -9.413 -5.841 1.00 0.00 H new ATOM 0 HE21 GLN A 575 -8.568 -10.850 -7.435 1.00 0.00 H new ATOM 0 HE22 GLN A 575 -8.112 -10.690 -9.135 1.00 0.00 H new ATOM 428 N LEU A 576 -5.353 -5.443 -4.217 1.00 0.00 N ATOM 429 CA LEU A 576 -4.534 -4.260 -4.040 1.00 0.00 C ATOM 430 C LEU A 576 -3.869 -4.260 -2.662 1.00 0.00 C ATOM 431 O LEU A 576 -2.748 -3.788 -2.510 1.00 0.00 O ATOM 432 CB LEU A 576 -5.385 -3.007 -4.225 1.00 0.00 C ATOM 433 CG LEU A 576 -4.683 -1.698 -3.889 1.00 0.00 C ATOM 434 CD1 LEU A 576 -3.626 -1.376 -4.934 1.00 0.00 C ATOM 435 CD2 LEU A 576 -5.687 -0.560 -3.760 1.00 0.00 C ATOM 0 H LEU A 576 -6.355 -5.277 -4.120 1.00 0.00 H new ATOM 0 HA LEU A 576 -3.746 -4.266 -4.793 1.00 0.00 H new ATOM 0 HB2 LEU A 576 -5.723 -2.965 -5.260 1.00 0.00 H new ATOM 0 HB3 LEU A 576 -6.275 -3.095 -3.602 1.00 0.00 H new ATOM 0 HG LEU A 576 -4.186 -1.814 -2.926 1.00 0.00 H new ATOM 0 HD11 LEU A 576 -3.135 -0.437 -4.677 1.00 0.00 H new ATOM 0 HD12 LEU A 576 -2.887 -2.176 -4.962 1.00 0.00 H new ATOM 0 HD13 LEU A 576 -4.098 -1.283 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 576 -5.161 0.364 -3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 576 -6.222 -0.438 -4.702 1.00 0.00 H new ATOM 0 HD23 LEU A 576 -6.398 -0.790 -2.966 1.00 0.00 H new ATOM 447 N LEU A 577 -4.566 -4.782 -1.662 1.00 0.00 N ATOM 448 CA LEU A 577 -3.992 -4.942 -0.328 1.00 0.00 C ATOM 449 C LEU A 577 -2.755 -5.813 -0.379 1.00 0.00 C ATOM 450 O LEU A 577 -1.680 -5.406 0.058 1.00 0.00 O ATOM 451 CB LEU A 577 -5.008 -5.549 0.642 1.00 0.00 C ATOM 452 CG LEU A 577 -5.862 -4.557 1.434 1.00 0.00 C ATOM 453 CD1 LEU A 577 -5.614 -3.121 0.989 1.00 0.00 C ATOM 454 CD2 LEU A 577 -7.338 -4.917 1.319 1.00 0.00 C ATOM 0 H LEU A 577 -5.531 -5.103 -1.747 1.00 0.00 H new ATOM 0 HA LEU A 577 -3.717 -3.951 0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 577 -5.675 -6.200 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 577 -4.471 -6.180 1.350 1.00 0.00 H new ATOM 0 HG LEU A 577 -5.569 -4.625 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 577 -6.238 -2.446 1.574 1.00 0.00 H new ATOM 0 HD12 LEU A 577 -4.565 -2.869 1.142 1.00 0.00 H new ATOM 0 HD13 LEU A 577 -5.861 -3.020 -0.068 1.00 0.00 H new ATOM 0 HD21 LEU A 577 -7.932 -4.202 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 577 -7.639 -4.887 0.272 1.00 0.00 H new ATOM 0 HD23 LEU A 577 -7.500 -5.920 1.715 1.00 0.00 H new ATOM 466 N GLU A 578 -2.899 -7.001 -0.932 1.00 0.00 N ATOM 467 CA GLU A 578 -1.773 -7.911 -1.048 1.00 0.00 C ATOM 468 C GLU A 578 -0.715 -7.337 -1.993 1.00 0.00 C ATOM 469 O GLU A 578 0.461 -7.694 -1.909 1.00 0.00 O ATOM 470 CB GLU A 578 -2.243 -9.290 -1.517 1.00 0.00 C ATOM 471 CG GLU A 578 -3.012 -9.260 -2.822 1.00 0.00 C ATOM 472 CD GLU A 578 -3.631 -10.595 -3.158 1.00 0.00 C ATOM 473 OE1 GLU A 578 -2.918 -11.465 -3.697 1.00 0.00 O ATOM 474 OE2 GLU A 578 -4.833 -10.781 -2.875 1.00 0.00 O ATOM 0 H GLU A 578 -3.778 -7.359 -1.306 1.00 0.00 H new ATOM 0 HA GLU A 578 -1.318 -8.028 -0.065 1.00 0.00 H new ATOM 0 HB2 GLU A 578 -1.376 -9.940 -1.632 1.00 0.00 H new ATOM 0 HB3 GLU A 578 -2.873 -9.732 -0.745 1.00 0.00 H new ATOM 0 HG2 GLU A 578 -3.796 -8.505 -2.761 1.00 0.00 H new ATOM 0 HG3 GLU A 578 -2.342 -8.960 -3.628 1.00 0.00 H new ATOM 481 N ASP A 579 -1.140 -6.436 -2.879 1.00 0.00 N ATOM 482 CA ASP A 579 -0.215 -5.729 -3.765 1.00 0.00 C ATOM 483 C ASP A 579 0.669 -4.818 -2.942 1.00 0.00 C ATOM 484 O ASP A 579 1.889 -4.933 -2.953 1.00 0.00 O ATOM 485 CB ASP A 579 -0.967 -4.854 -4.772 1.00 0.00 C ATOM 486 CG ASP A 579 -0.199 -4.635 -6.064 1.00 0.00 C ATOM 487 OD1 ASP A 579 0.948 -4.145 -6.012 1.00 0.00 O ATOM 488 OD2 ASP A 579 -0.751 -4.926 -7.146 1.00 0.00 O ATOM 0 H ASP A 579 -2.119 -6.178 -3.002 1.00 0.00 H new ATOM 0 HA ASP A 579 0.370 -6.478 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 579 -1.927 -5.318 -5.001 1.00 0.00 H new ATOM 0 HB3 ASP A 579 -1.181 -3.888 -4.316 1.00 0.00 H new ATOM 493 N LEU A 580 0.019 -3.922 -2.214 1.00 0.00 N ATOM 494 CA LEU A 580 0.695 -2.894 -1.438 1.00 0.00 C ATOM 495 C LEU A 580 1.477 -3.495 -0.288 1.00 0.00 C ATOM 496 O LEU A 580 2.529 -2.984 0.083 1.00 0.00 O ATOM 497 CB LEU A 580 -0.329 -1.897 -0.910 1.00 0.00 C ATOM 498 CG LEU A 580 -1.169 -1.223 -1.986 1.00 0.00 C ATOM 499 CD1 LEU A 580 -2.272 -0.401 -1.351 1.00 0.00 C ATOM 500 CD2 LEU A 580 -0.287 -0.364 -2.878 1.00 0.00 C ATOM 0 H LEU A 580 -0.998 -3.888 -2.145 1.00 0.00 H new ATOM 0 HA LEU A 580 1.403 -2.382 -2.090 1.00 0.00 H new ATOM 0 HB2 LEU A 580 -0.995 -2.412 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 580 0.192 -1.128 -0.339 1.00 0.00 H new ATOM 0 HG LEU A 580 -1.634 -1.989 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 580 -2.865 0.076 -2.131 1.00 0.00 H new ATOM 0 HD12 LEU A 580 -2.912 -1.051 -0.754 1.00 0.00 H new ATOM 0 HD13 LEU A 580 -1.833 0.364 -0.710 1.00 0.00 H new ATOM 0 HD21 LEU A 580 -0.899 0.113 -3.644 1.00 0.00 H new ATOM 0 HD22 LEU A 580 0.203 0.401 -2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 580 0.468 -0.990 -3.354 1.00 0.00 H new ATOM 512 N GLU A 581 0.961 -4.573 0.278 1.00 0.00 N ATOM 513 CA GLU A 581 1.655 -5.269 1.345 1.00 0.00 C ATOM 514 C GLU A 581 2.975 -5.811 0.827 1.00 0.00 C ATOM 515 O GLU A 581 4.035 -5.540 1.387 1.00 0.00 O ATOM 516 CB GLU A 581 0.811 -6.418 1.882 1.00 0.00 C ATOM 517 CG GLU A 581 1.359 -7.002 3.173 1.00 0.00 C ATOM 518 CD GLU A 581 0.681 -8.297 3.558 1.00 0.00 C ATOM 519 OE1 GLU A 581 1.156 -9.366 3.124 1.00 0.00 O ATOM 520 OE2 GLU A 581 -0.332 -8.252 4.289 1.00 0.00 O ATOM 0 H GLU A 581 0.065 -4.984 0.016 1.00 0.00 H new ATOM 0 HA GLU A 581 1.837 -4.563 2.155 1.00 0.00 H new ATOM 0 HB2 GLU A 581 -0.207 -6.066 2.052 1.00 0.00 H new ATOM 0 HB3 GLU A 581 0.755 -7.204 1.129 1.00 0.00 H new ATOM 0 HG2 GLU A 581 2.430 -7.175 3.064 1.00 0.00 H new ATOM 0 HG3 GLU A 581 1.234 -6.277 3.977 1.00 0.00 H new ATOM 527 N ALA A 582 2.897 -6.560 -0.264 1.00 0.00 N ATOM 528 CA ALA A 582 4.083 -7.129 -0.888 1.00 0.00 C ATOM 529 C ALA A 582 4.982 -6.026 -1.431 1.00 0.00 C ATOM 530 O ALA A 582 6.203 -6.171 -1.486 1.00 0.00 O ATOM 531 CB ALA A 582 3.683 -8.085 -1.997 1.00 0.00 C ATOM 0 H ALA A 582 2.022 -6.788 -0.736 1.00 0.00 H new ATOM 0 HA ALA A 582 4.641 -7.684 -0.134 1.00 0.00 H new ATOM 0 HB1 ALA A 582 4.578 -8.504 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 582 3.077 -8.890 -1.582 1.00 0.00 H new ATOM 0 HB3 ALA A 582 3.106 -7.548 -2.750 1.00 0.00 H new ATOM 537 N LYS A 583 4.364 -4.916 -1.818 1.00 0.00 N ATOM 538 CA LYS A 583 5.091 -3.768 -2.335 1.00 0.00 C ATOM 539 C LYS A 583 5.918 -3.148 -1.219 1.00 0.00 C ATOM 540 O LYS A 583 7.109 -2.885 -1.381 1.00 0.00 O ATOM 541 CB LYS A 583 4.117 -2.733 -2.916 1.00 0.00 C ATOM 542 CG LYS A 583 4.810 -1.525 -3.523 1.00 0.00 C ATOM 543 CD LYS A 583 3.827 -0.475 -4.009 1.00 0.00 C ATOM 544 CE LYS A 583 4.563 0.764 -4.495 1.00 0.00 C ATOM 545 NZ LYS A 583 3.646 1.796 -5.043 1.00 0.00 N ATOM 0 H LYS A 583 3.353 -4.789 -1.782 1.00 0.00 H new ATOM 0 HA LYS A 583 5.755 -4.096 -3.134 1.00 0.00 H new ATOM 0 HB2 LYS A 583 3.503 -3.211 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 583 3.443 -2.398 -2.128 1.00 0.00 H new ATOM 0 HG2 LYS A 583 5.474 -1.081 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 583 5.433 -1.848 -4.357 1.00 0.00 H new ATOM 0 HD2 LYS A 583 3.220 -0.884 -4.817 1.00 0.00 H new ATOM 0 HD3 LYS A 583 3.145 -0.206 -3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 583 5.132 1.191 -3.669 1.00 0.00 H new ATOM 0 HE3 LYS A 583 5.281 0.477 -5.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 583 4.155 2.698 -5.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 583 3.300 1.493 -5.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 583 2.839 1.921 -4.399 1.00 0.00 H new ATOM 559 N LEU A 584 5.273 -2.941 -0.080 1.00 0.00 N ATOM 560 CA LEU A 584 5.929 -2.399 1.092 1.00 0.00 C ATOM 561 C LEU A 584 7.044 -3.335 1.542 1.00 0.00 C ATOM 562 O LEU A 584 8.158 -2.893 1.804 1.00 0.00 O ATOM 563 CB LEU A 584 4.893 -2.175 2.209 1.00 0.00 C ATOM 564 CG LEU A 584 5.410 -1.521 3.499 1.00 0.00 C ATOM 565 CD1 LEU A 584 6.038 -2.556 4.423 1.00 0.00 C ATOM 566 CD2 LEU A 584 6.406 -0.414 3.172 1.00 0.00 C ATOM 0 H LEU A 584 4.283 -3.145 0.054 1.00 0.00 H new ATOM 0 HA LEU A 584 6.379 -1.436 0.850 1.00 0.00 H new ATOM 0 HB2 LEU A 584 4.089 -1.556 1.810 1.00 0.00 H new ATOM 0 HB3 LEU A 584 4.455 -3.139 2.467 1.00 0.00 H new ATOM 0 HG LEU A 584 4.561 -1.079 4.020 1.00 0.00 H new ATOM 0 HD11 LEU A 584 6.396 -2.066 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 584 5.294 -3.307 4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 584 6.875 -3.036 3.916 1.00 0.00 H new ATOM 0 HD21 LEU A 584 6.763 0.039 4.097 1.00 0.00 H new ATOM 0 HD22 LEU A 584 7.250 -0.834 2.625 1.00 0.00 H new ATOM 0 HD23 LEU A 584 5.918 0.345 2.560 1.00 0.00 H new ATOM 578 N GLU A 585 6.738 -4.626 1.614 1.00 0.00 N ATOM 579 CA GLU A 585 7.728 -5.639 1.969 1.00 0.00 C ATOM 580 C GLU A 585 8.949 -5.562 1.056 1.00 0.00 C ATOM 581 O GLU A 585 10.087 -5.647 1.519 1.00 0.00 O ATOM 582 CB GLU A 585 7.105 -7.029 1.878 1.00 0.00 C ATOM 583 CG GLU A 585 6.115 -7.326 2.988 1.00 0.00 C ATOM 584 CD GLU A 585 6.792 -7.501 4.333 1.00 0.00 C ATOM 585 OE1 GLU A 585 7.101 -6.488 4.990 1.00 0.00 O ATOM 586 OE2 GLU A 585 7.035 -8.660 4.726 1.00 0.00 O ATOM 0 H GLU A 585 5.806 -4.998 1.430 1.00 0.00 H new ATOM 0 HA GLU A 585 8.053 -5.450 2.992 1.00 0.00 H new ATOM 0 HB2 GLU A 585 6.601 -7.130 0.917 1.00 0.00 H new ATOM 0 HB3 GLU A 585 7.899 -7.776 1.901 1.00 0.00 H new ATOM 0 HG2 GLU A 585 5.390 -6.514 3.052 1.00 0.00 H new ATOM 0 HG3 GLU A 585 5.559 -8.231 2.743 1.00 0.00 H new ATOM 593 N ALA A 586 8.699 -5.385 -0.236 1.00 0.00 N ATOM 594 CA ALA A 586 9.764 -5.296 -1.225 1.00 0.00 C ATOM 595 C ALA A 586 10.610 -4.048 -0.997 1.00 0.00 C ATOM 596 O ALA A 586 11.839 -4.111 -0.950 1.00 0.00 O ATOM 597 CB ALA A 586 9.166 -5.284 -2.624 1.00 0.00 C ATOM 0 H ALA A 586 7.760 -5.300 -0.624 1.00 0.00 H new ATOM 0 HA ALA A 586 10.412 -6.166 -1.122 1.00 0.00 H new ATOM 0 HB1 ALA A 586 9.966 -5.217 -3.361 1.00 0.00 H new ATOM 0 HB2 ALA A 586 8.599 -6.201 -2.785 1.00 0.00 H new ATOM 0 HB3 ALA A 586 8.503 -4.425 -2.729 1.00 0.00 H new ATOM 603 N LEU A 587 9.940 -2.920 -0.840 1.00 0.00 N ATOM 604 CA LEU A 587 10.612 -1.645 -0.645 1.00 0.00 C ATOM 605 C LEU A 587 11.354 -1.622 0.689 1.00 0.00 C ATOM 606 O LEU A 587 12.510 -1.220 0.757 1.00 0.00 O ATOM 607 CB LEU A 587 9.588 -0.512 -0.725 1.00 0.00 C ATOM 608 CG LEU A 587 8.842 -0.432 -2.061 1.00 0.00 C ATOM 609 CD1 LEU A 587 7.631 0.473 -1.949 1.00 0.00 C ATOM 610 CD2 LEU A 587 9.771 0.065 -3.158 1.00 0.00 C ATOM 0 H LEU A 587 8.922 -2.860 -0.844 1.00 0.00 H new ATOM 0 HA LEU A 587 11.352 -1.507 -1.433 1.00 0.00 H new ATOM 0 HB2 LEU A 587 8.861 -0.637 0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 587 10.097 0.436 -0.549 1.00 0.00 H new ATOM 0 HG LEU A 587 8.499 -1.434 -2.319 1.00 0.00 H new ATOM 0 HD11 LEU A 587 7.117 0.514 -2.910 1.00 0.00 H new ATOM 0 HD12 LEU A 587 6.953 0.081 -1.191 1.00 0.00 H new ATOM 0 HD13 LEU A 587 7.951 1.476 -1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 587 9.226 0.116 -4.101 1.00 0.00 H new ATOM 0 HD22 LEU A 587 10.142 1.057 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 587 10.611 -0.621 -3.262 1.00 0.00 H new ATOM 622 N GLN A 588 10.701 -2.100 1.739 1.00 0.00 N ATOM 623 CA GLN A 588 11.307 -2.136 3.068 1.00 0.00 C ATOM 624 C GLN A 588 12.501 -3.081 3.123 1.00 0.00 C ATOM 625 O GLN A 588 13.376 -2.920 3.965 1.00 0.00 O ATOM 626 CB GLN A 588 10.277 -2.547 4.121 1.00 0.00 C ATOM 627 CG GLN A 588 9.479 -1.384 4.691 1.00 0.00 C ATOM 628 CD GLN A 588 10.281 -0.536 5.665 1.00 0.00 C ATOM 629 OE1 GLN A 588 11.506 -0.440 5.573 1.00 0.00 O ATOM 630 NE2 GLN A 588 9.595 0.094 6.604 1.00 0.00 N ATOM 0 H GLN A 588 9.751 -2.469 1.699 1.00 0.00 H new ATOM 0 HA GLN A 588 11.662 -1.128 3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 588 9.587 -3.266 3.679 1.00 0.00 H new ATOM 0 HB3 GLN A 588 10.790 -3.057 4.936 1.00 0.00 H new ATOM 0 HG2 GLN A 588 9.129 -0.755 3.873 1.00 0.00 H new ATOM 0 HG3 GLN A 588 8.594 -1.771 5.197 1.00 0.00 H new ATOM 0 HE21 GLN A 588 8.581 -0.008 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 588 10.080 0.682 7.282 1.00 0.00 H new ATOM 639 N THR A 589 12.549 -4.060 2.231 1.00 0.00 N ATOM 640 CA THR A 589 13.622 -5.041 2.267 1.00 0.00 C ATOM 641 C THR A 589 14.863 -4.525 1.535 1.00 0.00 C ATOM 642 O THR A 589 15.987 -4.880 1.889 1.00 0.00 O ATOM 643 CB THR A 589 13.158 -6.413 1.703 1.00 0.00 C ATOM 644 OG1 THR A 589 13.815 -7.477 2.401 1.00 0.00 O ATOM 645 CG2 THR A 589 13.436 -6.546 0.209 1.00 0.00 C ATOM 0 H THR A 589 11.868 -4.195 1.484 1.00 0.00 H new ATOM 0 HA THR A 589 13.894 -5.197 3.311 1.00 0.00 H new ATOM 0 HB THR A 589 12.080 -6.473 1.851 1.00 0.00 H new ATOM 0 HG1 THR A 589 13.516 -8.338 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 589 13.095 -7.521 -0.139 1.00 0.00 H new ATOM 0 HG22 THR A 589 12.906 -5.762 -0.331 1.00 0.00 H new ATOM 0 HG23 THR A 589 14.507 -6.451 0.028 1.00 0.00 H new ATOM 653 N GLN A 590 14.670 -3.665 0.538 1.00 0.00 N ATOM 654 CA GLN A 590 15.803 -3.032 -0.123 1.00 0.00 C ATOM 655 C GLN A 590 16.280 -1.843 0.702 1.00 0.00 C ATOM 656 O GLN A 590 17.441 -1.442 0.623 1.00 0.00 O ATOM 657 CB GLN A 590 15.450 -2.608 -1.551 1.00 0.00 C ATOM 658 CG GLN A 590 14.276 -1.654 -1.651 1.00 0.00 C ATOM 659 CD GLN A 590 14.043 -1.153 -3.065 1.00 0.00 C ATOM 660 OE1 GLN A 590 12.908 -0.883 -3.463 1.00 0.00 O ATOM 661 NE2 GLN A 590 15.114 -1.013 -3.830 1.00 0.00 N ATOM 0 H GLN A 590 13.755 -3.395 0.176 1.00 0.00 H new ATOM 0 HA GLN A 590 16.613 -3.757 -0.196 1.00 0.00 H new ATOM 0 HB2 GLN A 590 16.323 -2.138 -2.003 1.00 0.00 H new ATOM 0 HB3 GLN A 590 15.228 -3.500 -2.137 1.00 0.00 H new ATOM 0 HG2 GLN A 590 13.376 -2.155 -1.295 1.00 0.00 H new ATOM 0 HG3 GLN A 590 14.449 -0.803 -0.993 1.00 0.00 H new ATOM 0 HE21 GLN A 590 16.037 -1.247 -3.464 1.00 0.00 H new ATOM 0 HE22 GLN A 590 15.017 -0.671 -4.786 1.00 0.00 H new ATOM 670 N VAL A 591 15.370 -1.296 1.504 1.00 0.00 N ATOM 671 CA VAL A 591 15.700 -0.247 2.463 1.00 0.00 C ATOM 672 C VAL A 591 16.314 -0.866 3.724 1.00 0.00 C ATOM 673 O VAL A 591 17.037 -0.206 4.474 1.00 0.00 O ATOM 674 CB VAL A 591 14.438 0.584 2.823 1.00 0.00 C ATOM 675 CG1 VAL A 591 14.708 1.588 3.933 1.00 0.00 C ATOM 676 CG2 VAL A 591 13.922 1.309 1.590 1.00 0.00 C ATOM 0 H VAL A 591 14.387 -1.567 1.507 1.00 0.00 H new ATOM 0 HA VAL A 591 16.429 0.424 2.009 1.00 0.00 H new ATOM 0 HB VAL A 591 13.684 -0.114 3.186 1.00 0.00 H new ATOM 0 HG11 VAL A 591 13.796 2.145 4.149 1.00 0.00 H new ATOM 0 HG12 VAL A 591 15.033 1.060 4.830 1.00 0.00 H new ATOM 0 HG13 VAL A 591 15.489 2.279 3.616 1.00 0.00 H new ATOM 0 HG21 VAL A 591 13.037 1.889 1.853 1.00 0.00 H new ATOM 0 HG22 VAL A 591 14.695 1.978 1.211 1.00 0.00 H new ATOM 0 HG23 VAL A 591 13.664 0.581 0.821 1.00 0.00 H new ATOM 686 N ALA A 592 16.038 -2.156 3.931 1.00 0.00 N ATOM 687 CA ALA A 592 16.609 -2.904 5.051 1.00 0.00 C ATOM 688 C ALA A 592 18.114 -3.044 4.874 1.00 0.00 C ATOM 689 O ALA A 592 18.859 -3.228 5.837 1.00 0.00 O ATOM 690 CB ALA A 592 15.966 -4.279 5.167 1.00 0.00 C ATOM 0 H ALA A 592 15.420 -2.705 3.334 1.00 0.00 H new ATOM 0 HA ALA A 592 16.408 -2.352 5.969 1.00 0.00 H new ATOM 0 HB1 ALA A 592 16.406 -4.817 6.007 1.00 0.00 H new ATOM 0 HB2 ALA A 592 14.894 -4.167 5.330 1.00 0.00 H new ATOM 0 HB3 ALA A 592 16.137 -4.839 4.248 1.00 0.00 H new ATOM 696 N ASP A 593 18.543 -2.970 3.622 1.00 0.00 N ATOM 697 CA ASP A 593 19.954 -2.981 3.276 1.00 0.00 C ATOM 698 C ASP A 593 20.598 -1.670 3.708 1.00 0.00 C ATOM 699 O ASP A 593 20.231 -0.603 3.227 1.00 0.00 O ATOM 700 CB ASP A 593 20.107 -3.188 1.766 1.00 0.00 C ATOM 701 CG ASP A 593 21.524 -2.991 1.273 1.00 0.00 C ATOM 702 OD1 ASP A 593 22.385 -3.851 1.548 1.00 0.00 O ATOM 703 OD2 ASP A 593 21.773 -1.986 0.577 1.00 0.00 O ATOM 0 H ASP A 593 17.920 -2.901 2.817 1.00 0.00 H new ATOM 0 HA ASP A 593 20.455 -3.799 3.794 1.00 0.00 H new ATOM 0 HB2 ASP A 593 19.778 -4.195 1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 593 19.449 -2.494 1.243 1.00 0.00 H new ATOM 708 N ALA A 594 21.549 -1.756 4.632 1.00 0.00 N ATOM 709 CA ALA A 594 22.196 -0.570 5.191 1.00 0.00 C ATOM 710 C ALA A 594 22.913 0.236 4.117 1.00 0.00 C ATOM 711 O ALA A 594 23.086 1.448 4.247 1.00 0.00 O ATOM 712 CB ALA A 594 23.172 -0.969 6.285 1.00 0.00 C ATOM 0 H ALA A 594 21.892 -2.638 5.012 1.00 0.00 H new ATOM 0 HA ALA A 594 21.417 0.062 5.618 1.00 0.00 H new ATOM 0 HB1 ALA A 594 23.647 -0.076 6.692 1.00 0.00 H new ATOM 0 HB2 ALA A 594 22.636 -1.489 7.079 1.00 0.00 H new ATOM 0 HB3 ALA A 594 23.935 -1.628 5.870 1.00 0.00 H new ATOM 718 N SER A 595 23.307 -0.437 3.047 1.00 0.00 N ATOM 719 CA SER A 595 24.036 0.202 1.968 1.00 0.00 C ATOM 720 C SER A 595 23.087 0.972 1.046 1.00 0.00 C ATOM 721 O SER A 595 23.528 1.714 0.168 1.00 0.00 O ATOM 722 CB SER A 595 24.821 -0.849 1.185 1.00 0.00 C ATOM 723 OG SER A 595 25.633 -1.620 2.057 1.00 0.00 O ATOM 0 H SER A 595 23.132 -1.432 2.905 1.00 0.00 H new ATOM 0 HA SER A 595 24.736 0.921 2.394 1.00 0.00 H new ATOM 0 HB2 SER A 595 24.131 -1.502 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 595 25.444 -0.361 0.436 1.00 0.00 H new ATOM 0 HG SER A 595 26.127 -2.289 1.538 1.00 0.00 H new ATOM 729 N PHE A 596 21.782 0.797 1.257 1.00 0.00 N ATOM 730 CA PHE A 596 20.772 1.526 0.501 1.00 0.00 C ATOM 731 C PHE A 596 20.939 3.029 0.684 1.00 0.00 C ATOM 732 O PHE A 596 21.014 3.774 -0.290 1.00 0.00 O ATOM 733 CB PHE A 596 19.364 1.102 0.933 1.00 0.00 C ATOM 734 CG PHE A 596 18.287 2.044 0.488 1.00 0.00 C ATOM 735 CD1 PHE A 596 17.867 2.067 -0.830 1.00 0.00 C ATOM 736 CD2 PHE A 596 17.705 2.921 1.390 1.00 0.00 C ATOM 737 CE1 PHE A 596 16.887 2.948 -1.239 1.00 0.00 C ATOM 738 CE2 PHE A 596 16.727 3.804 0.985 1.00 0.00 C ATOM 739 CZ PHE A 596 16.317 3.816 -0.330 1.00 0.00 C ATOM 0 H PHE A 596 21.402 0.152 1.950 1.00 0.00 H new ATOM 0 HA PHE A 596 20.905 1.286 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 596 19.154 0.110 0.533 1.00 0.00 H new ATOM 0 HB3 PHE A 596 19.336 1.020 2.020 1.00 0.00 H new ATOM 0 HD1 PHE A 596 18.310 1.390 -1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 596 18.022 2.912 2.423 1.00 0.00 H new ATOM 0 HE1 PHE A 596 16.566 2.958 -2.270 1.00 0.00 H new ATOM 0 HE2 PHE A 596 16.283 4.485 1.697 1.00 0.00 H new ATOM 0 HZ PHE A 596 15.549 4.505 -0.650 1.00 0.00 H new ATOM 749 N PHE A 597 21.018 3.459 1.939 1.00 0.00 N ATOM 750 CA PHE A 597 21.125 4.883 2.262 1.00 0.00 C ATOM 751 C PHE A 597 22.466 5.462 1.820 1.00 0.00 C ATOM 752 O PHE A 597 22.676 6.671 1.878 1.00 0.00 O ATOM 753 CB PHE A 597 20.939 5.105 3.762 1.00 0.00 C ATOM 754 CG PHE A 597 19.574 4.737 4.268 1.00 0.00 C ATOM 755 CD1 PHE A 597 18.522 5.634 4.175 1.00 0.00 C ATOM 756 CD2 PHE A 597 19.343 3.495 4.837 1.00 0.00 C ATOM 757 CE1 PHE A 597 17.266 5.301 4.640 1.00 0.00 C ATOM 758 CE2 PHE A 597 18.086 3.156 5.304 1.00 0.00 C ATOM 759 CZ PHE A 597 17.047 4.060 5.205 1.00 0.00 C ATOM 0 H PHE A 597 21.010 2.843 2.752 1.00 0.00 H new ATOM 0 HA PHE A 597 20.335 5.400 1.717 1.00 0.00 H new ATOM 0 HB2 PHE A 597 21.685 4.521 4.301 1.00 0.00 H new ATOM 0 HB3 PHE A 597 21.130 6.154 3.990 1.00 0.00 H new ATOM 0 HD1 PHE A 597 18.687 6.606 3.733 1.00 0.00 H new ATOM 0 HD2 PHE A 597 20.152 2.785 4.917 1.00 0.00 H new ATOM 0 HE1 PHE A 597 16.455 6.010 4.562 1.00 0.00 H new ATOM 0 HE2 PHE A 597 17.917 2.185 5.746 1.00 0.00 H new ATOM 0 HZ PHE A 597 16.065 3.797 5.569 1.00 0.00 H new ATOM 769 N SER A 598 23.364 4.600 1.360 1.00 0.00 N ATOM 770 CA SER A 598 24.662 5.042 0.874 1.00 0.00 C ATOM 771 C SER A 598 24.495 5.681 -0.500 1.00 0.00 C ATOM 772 O SER A 598 25.410 6.314 -1.027 1.00 0.00 O ATOM 773 CB SER A 598 25.636 3.860 0.814 1.00 0.00 C ATOM 774 OG SER A 598 26.942 4.274 0.450 1.00 0.00 O ATOM 0 H SER A 598 23.216 3.592 1.314 1.00 0.00 H new ATOM 0 HA SER A 598 25.076 5.782 1.559 1.00 0.00 H new ATOM 0 HB2 SER A 598 25.668 3.366 1.785 1.00 0.00 H new ATOM 0 HB3 SER A 598 25.273 3.126 0.095 1.00 0.00 H new ATOM 0 HG SER A 598 26.884 5.004 -0.201 1.00 0.00 H new ATOM 780 N GLN A 599 23.307 5.510 -1.064 1.00 0.00 N ATOM 781 CA GLN A 599 22.962 6.107 -2.339 1.00 0.00 C ATOM 782 C GLN A 599 22.560 7.565 -2.164 1.00 0.00 C ATOM 783 O GLN A 599 22.113 7.978 -1.088 1.00 0.00 O ATOM 784 CB GLN A 599 21.815 5.337 -2.992 1.00 0.00 C ATOM 785 CG GLN A 599 22.218 3.968 -3.489 1.00 0.00 C ATOM 786 CD GLN A 599 21.042 3.164 -4.009 1.00 0.00 C ATOM 787 OE1 GLN A 599 20.696 3.230 -5.187 1.00 0.00 O ATOM 788 NE2 GLN A 599 20.418 2.400 -3.130 1.00 0.00 N ATOM 0 H GLN A 599 22.559 4.954 -0.649 1.00 0.00 H new ATOM 0 HA GLN A 599 23.841 6.060 -2.981 1.00 0.00 H new ATOM 0 HB2 GLN A 599 21.003 5.230 -2.273 1.00 0.00 H new ATOM 0 HB3 GLN A 599 21.426 5.919 -3.828 1.00 0.00 H new ATOM 0 HG2 GLN A 599 22.957 4.077 -4.282 1.00 0.00 H new ATOM 0 HG3 GLN A 599 22.698 3.419 -2.679 1.00 0.00 H new ATOM 0 HE21 GLN A 599 20.736 2.373 -2.161 1.00 0.00 H new ATOM 0 HE22 GLN A 599 19.618 1.837 -3.420 1.00 0.00 H new ATOM 797 N PRO A 600 22.739 8.358 -3.225 1.00 0.00 N ATOM 798 CA PRO A 600 22.299 9.755 -3.276 1.00 0.00 C ATOM 799 C PRO A 600 20.829 9.922 -2.879 1.00 0.00 C ATOM 800 O PRO A 600 19.999 9.043 -3.119 1.00 0.00 O ATOM 801 CB PRO A 600 22.474 10.126 -4.750 1.00 0.00 C ATOM 802 CG PRO A 600 23.515 9.201 -5.275 1.00 0.00 C ATOM 803 CD PRO A 600 23.421 7.938 -4.462 1.00 0.00 C ATOM 0 HA PRO A 600 22.864 10.378 -2.583 1.00 0.00 H new ATOM 0 HB2 PRO A 600 21.538 10.013 -5.296 1.00 0.00 H new ATOM 0 HB3 PRO A 600 22.783 11.166 -4.858 1.00 0.00 H new ATOM 0 HG2 PRO A 600 23.351 8.994 -6.332 1.00 0.00 H new ATOM 0 HG3 PRO A 600 24.507 9.645 -5.187 1.00 0.00 H new ATOM 0 HD2 PRO A 600 22.857 7.167 -4.987 1.00 0.00 H new ATOM 0 HD3 PRO A 600 24.407 7.524 -4.253 1.00 0.00 H new ATOM 811 N HIS A 601 20.534 11.078 -2.284 1.00 0.00 N ATOM 812 CA HIS A 601 19.181 11.453 -1.849 1.00 0.00 C ATOM 813 C HIS A 601 18.165 11.273 -2.975 1.00 0.00 C ATOM 814 O HIS A 601 17.017 10.922 -2.733 1.00 0.00 O ATOM 815 CB HIS A 601 19.209 12.920 -1.400 1.00 0.00 C ATOM 816 CG HIS A 601 17.921 13.484 -0.880 1.00 0.00 C ATOM 817 ND1 HIS A 601 17.638 13.591 0.464 1.00 0.00 N ATOM 818 CD2 HIS A 601 16.872 14.047 -1.528 1.00 0.00 C ATOM 819 CE1 HIS A 601 16.475 14.194 0.621 1.00 0.00 C ATOM 820 NE2 HIS A 601 15.991 14.482 -0.573 1.00 0.00 N ATOM 0 H HIS A 601 21.235 11.792 -2.086 1.00 0.00 H new ATOM 0 HA HIS A 601 18.877 10.805 -1.026 1.00 0.00 H new ATOM 0 HB2 HIS A 601 19.966 13.025 -0.623 1.00 0.00 H new ATOM 0 HB3 HIS A 601 19.532 13.529 -2.244 1.00 0.00 H new ATOM 0 HD2 HIS A 601 16.753 14.136 -2.598 1.00 0.00 H new ATOM 0 HE1 HIS A 601 16.000 14.414 1.565 1.00 0.00 H new ATOM 0 HE2 HIS A 601 15.104 14.952 -0.755 1.00 0.00 H new ATOM 829 N GLU A 602 18.604 11.517 -4.198 1.00 0.00 N ATOM 830 CA GLU A 602 17.737 11.422 -5.367 1.00 0.00 C ATOM 831 C GLU A 602 17.346 9.970 -5.659 1.00 0.00 C ATOM 832 O GLU A 602 16.282 9.704 -6.216 1.00 0.00 O ATOM 833 CB GLU A 602 18.452 12.044 -6.564 1.00 0.00 C ATOM 834 CG GLU A 602 18.828 13.500 -6.330 1.00 0.00 C ATOM 835 CD GLU A 602 19.945 13.972 -7.232 1.00 0.00 C ATOM 836 OE1 GLU A 602 21.043 13.382 -7.175 1.00 0.00 O ATOM 837 OE2 GLU A 602 19.744 14.948 -7.982 1.00 0.00 O ATOM 0 H GLU A 602 19.565 11.785 -4.411 1.00 0.00 H new ATOM 0 HA GLU A 602 16.813 11.966 -5.169 1.00 0.00 H new ATOM 0 HB2 GLU A 602 19.353 11.471 -6.782 1.00 0.00 H new ATOM 0 HB3 GLU A 602 17.810 11.975 -7.442 1.00 0.00 H new ATOM 0 HG2 GLU A 602 17.950 14.127 -6.489 1.00 0.00 H new ATOM 0 HG3 GLU A 602 19.128 13.630 -5.290 1.00 0.00 H new ATOM 844 N GLN A 603 18.209 9.038 -5.278 1.00 0.00 N ATOM 845 CA GLN A 603 17.926 7.616 -5.455 1.00 0.00 C ATOM 846 C GLN A 603 17.124 7.101 -4.276 1.00 0.00 C ATOM 847 O GLN A 603 16.140 6.380 -4.433 1.00 0.00 O ATOM 848 CB GLN A 603 19.222 6.803 -5.540 1.00 0.00 C ATOM 849 CG GLN A 603 20.331 7.455 -6.343 1.00 0.00 C ATOM 850 CD GLN A 603 20.028 7.566 -7.830 1.00 0.00 C ATOM 851 OE1 GLN A 603 18.876 7.706 -8.239 1.00 0.00 O ATOM 852 NE2 GLN A 603 21.062 7.495 -8.653 1.00 0.00 N ATOM 0 H GLN A 603 19.110 9.238 -4.845 1.00 0.00 H new ATOM 0 HA GLN A 603 17.365 7.502 -6.382 1.00 0.00 H new ATOM 0 HB2 GLN A 603 19.585 6.618 -4.529 1.00 0.00 H new ATOM 0 HB3 GLN A 603 18.997 5.832 -5.980 1.00 0.00 H new ATOM 0 HG2 GLN A 603 20.518 8.452 -5.944 1.00 0.00 H new ATOM 0 HG3 GLN A 603 21.248 6.882 -6.210 1.00 0.00 H new ATOM 0 HE21 GLN A 603 22.004 7.379 -8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 603 20.917 7.557 -9.661 1.00 0.00 H new ATOM 861 N THR A 604 17.562 7.483 -3.092 1.00 0.00 N ATOM 862 CA THR A 604 17.017 6.946 -1.869 1.00 0.00 C ATOM 863 C THR A 604 15.624 7.488 -1.574 1.00 0.00 C ATOM 864 O THR A 604 14.741 6.731 -1.191 1.00 0.00 O ATOM 865 CB THR A 604 17.970 7.214 -0.697 1.00 0.00 C ATOM 866 OG1 THR A 604 18.297 8.607 -0.632 1.00 0.00 O ATOM 867 CG2 THR A 604 19.244 6.398 -0.866 1.00 0.00 C ATOM 0 H THR A 604 18.302 8.171 -2.955 1.00 0.00 H new ATOM 0 HA THR A 604 16.916 5.869 -2.000 1.00 0.00 H new ATOM 0 HB THR A 604 17.474 6.922 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 604 18.904 8.766 0.121 1.00 0.00 H new ATOM 0 HG21 THR A 604 19.915 6.594 -0.030 1.00 0.00 H new ATOM 0 HG22 THR A 604 18.996 5.337 -0.891 1.00 0.00 H new ATOM 0 HG23 THR A 604 19.734 6.678 -1.798 1.00 0.00 H new ATOM 875 N GLN A 605 15.420 8.787 -1.767 1.00 0.00 N ATOM 876 CA GLN A 605 14.096 9.380 -1.587 1.00 0.00 C ATOM 877 C GLN A 605 13.101 8.789 -2.576 1.00 0.00 C ATOM 878 O GLN A 605 11.928 8.638 -2.264 1.00 0.00 O ATOM 879 CB GLN A 605 14.148 10.896 -1.746 1.00 0.00 C ATOM 880 CG GLN A 605 14.676 11.625 -0.524 1.00 0.00 C ATOM 881 CD GLN A 605 13.785 11.443 0.694 1.00 0.00 C ATOM 882 OE1 GLN A 605 12.842 12.207 0.908 1.00 0.00 O ATOM 883 NE2 GLN A 605 14.092 10.459 1.519 1.00 0.00 N ATOM 0 H GLN A 605 16.147 9.446 -2.046 1.00 0.00 H new ATOM 0 HA GLN A 605 13.766 9.149 -0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 605 14.777 11.140 -2.602 1.00 0.00 H new ATOM 0 HB3 GLN A 605 13.146 11.262 -1.971 1.00 0.00 H new ATOM 0 HG2 GLN A 605 15.678 11.263 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 605 14.765 12.688 -0.749 1.00 0.00 H new ATOM 0 HE21 GLN A 605 14.880 9.845 1.310 1.00 0.00 H new ATOM 0 HE22 GLN A 605 13.541 10.312 2.365 1.00 0.00 H new ATOM 892 N LYS A 606 13.591 8.459 -3.764 1.00 0.00 N ATOM 893 CA LYS A 606 12.803 7.775 -4.780 1.00 0.00 C ATOM 894 C LYS A 606 12.193 6.505 -4.201 1.00 0.00 C ATOM 895 O LYS A 606 11.006 6.230 -4.376 1.00 0.00 O ATOM 896 CB LYS A 606 13.724 7.459 -5.965 1.00 0.00 C ATOM 897 CG LYS A 606 13.037 6.865 -7.177 1.00 0.00 C ATOM 898 CD LYS A 606 12.907 5.357 -7.070 1.00 0.00 C ATOM 899 CE LYS A 606 12.645 4.724 -8.425 1.00 0.00 C ATOM 900 NZ LYS A 606 11.476 5.321 -9.120 1.00 0.00 N ATOM 0 H LYS A 606 14.549 8.659 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 606 11.982 8.407 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 606 14.228 8.377 -6.267 1.00 0.00 H new ATOM 0 HB3 LYS A 606 14.496 6.767 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 606 12.047 7.308 -7.287 1.00 0.00 H new ATOM 0 HG3 LYS A 606 13.601 7.118 -8.075 1.00 0.00 H new ATOM 0 HD2 LYS A 606 13.820 4.941 -6.643 1.00 0.00 H new ATOM 0 HD3 LYS A 606 12.094 5.108 -6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 606 13.530 4.835 -9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 606 12.479 3.655 -8.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 606 11.238 4.747 -9.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 606 10.662 5.345 -8.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 606 11.708 6.289 -9.421 1.00 0.00 H new ATOM 914 N VAL A 607 13.011 5.753 -3.488 1.00 0.00 N ATOM 915 CA VAL A 607 12.570 4.510 -2.874 1.00 0.00 C ATOM 916 C VAL A 607 11.813 4.770 -1.569 1.00 0.00 C ATOM 917 O VAL A 607 10.745 4.211 -1.341 1.00 0.00 O ATOM 918 CB VAL A 607 13.767 3.579 -2.597 1.00 0.00 C ATOM 919 CG1 VAL A 607 13.309 2.262 -1.990 1.00 0.00 C ATOM 920 CG2 VAL A 607 14.557 3.334 -3.874 1.00 0.00 C ATOM 0 H VAL A 607 13.990 5.982 -3.318 1.00 0.00 H new ATOM 0 HA VAL A 607 11.894 4.025 -3.578 1.00 0.00 H new ATOM 0 HB VAL A 607 14.418 4.072 -1.875 1.00 0.00 H new ATOM 0 HG11 VAL A 607 14.175 1.626 -1.806 1.00 0.00 H new ATOM 0 HG12 VAL A 607 12.793 2.455 -1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 607 12.630 1.760 -2.680 1.00 0.00 H new ATOM 0 HG21 VAL A 607 15.398 2.675 -3.660 1.00 0.00 H new ATOM 0 HG22 VAL A 607 13.911 2.868 -4.618 1.00 0.00 H new ATOM 0 HG23 VAL A 607 14.929 4.283 -4.260 1.00 0.00 H new ATOM 930 N LEU A 608 12.368 5.637 -0.725 1.00 0.00 N ATOM 931 CA LEU A 608 11.792 5.929 0.589 1.00 0.00 C ATOM 932 C LEU A 608 10.393 6.531 0.472 1.00 0.00 C ATOM 933 O LEU A 608 9.508 6.224 1.275 1.00 0.00 O ATOM 934 CB LEU A 608 12.706 6.881 1.368 1.00 0.00 C ATOM 935 CG LEU A 608 14.079 6.312 1.727 1.00 0.00 C ATOM 936 CD1 LEU A 608 14.954 7.385 2.357 1.00 0.00 C ATOM 937 CD2 LEU A 608 13.940 5.124 2.665 1.00 0.00 C ATOM 0 H LEU A 608 13.223 6.154 -0.929 1.00 0.00 H new ATOM 0 HA LEU A 608 11.706 4.985 1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 608 12.848 7.787 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 608 12.200 7.175 2.288 1.00 0.00 H new ATOM 0 HG LEU A 608 14.557 5.971 0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 608 15.927 6.961 2.606 1.00 0.00 H new ATOM 0 HD12 LEU A 608 15.085 8.207 1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 608 14.478 7.757 3.264 1.00 0.00 H new ATOM 0 HD21 LEU A 608 14.929 4.734 2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 608 13.440 5.440 3.580 1.00 0.00 H new ATOM 0 HD23 LEU A 608 13.352 4.345 2.180 1.00 0.00 H new ATOM 949 N ALA A 609 10.196 7.382 -0.523 1.00 0.00 N ATOM 950 CA ALA A 609 8.897 7.997 -0.749 1.00 0.00 C ATOM 951 C ALA A 609 7.882 6.950 -1.174 1.00 0.00 C ATOM 952 O ALA A 609 6.772 6.904 -0.649 1.00 0.00 O ATOM 953 CB ALA A 609 8.992 9.096 -1.795 1.00 0.00 C ATOM 0 H ALA A 609 10.918 7.662 -1.186 1.00 0.00 H new ATOM 0 HA ALA A 609 8.566 8.446 0.188 1.00 0.00 H new ATOM 0 HB1 ALA A 609 8.008 9.540 -1.946 1.00 0.00 H new ATOM 0 HB2 ALA A 609 9.688 9.863 -1.455 1.00 0.00 H new ATOM 0 HB3 ALA A 609 9.348 8.674 -2.735 1.00 0.00 H new ATOM 959 N ASP A 610 8.285 6.094 -2.107 1.00 0.00 N ATOM 960 CA ASP A 610 7.411 5.041 -2.608 1.00 0.00 C ATOM 961 C ASP A 610 7.141 4.016 -1.512 1.00 0.00 C ATOM 962 O ASP A 610 6.040 3.476 -1.410 1.00 0.00 O ATOM 963 CB ASP A 610 8.037 4.357 -3.828 1.00 0.00 C ATOM 964 CG ASP A 610 7.067 3.417 -4.523 1.00 0.00 C ATOM 965 OD1 ASP A 610 5.990 3.882 -4.961 1.00 0.00 O ATOM 966 OD2 ASP A 610 7.374 2.214 -4.634 1.00 0.00 O ATOM 0 H ASP A 610 9.212 6.109 -2.532 1.00 0.00 H new ATOM 0 HA ASP A 610 6.466 5.491 -2.911 1.00 0.00 H new ATOM 0 HB2 ASP A 610 8.373 5.116 -4.534 1.00 0.00 H new ATOM 0 HB3 ASP A 610 8.920 3.799 -3.516 1.00 0.00 H new ATOM 971 N MET A 611 8.155 3.764 -0.687 1.00 0.00 N ATOM 972 CA MET A 611 8.022 2.873 0.462 1.00 0.00 C ATOM 973 C MET A 611 6.940 3.367 1.402 1.00 0.00 C ATOM 974 O MET A 611 6.003 2.636 1.729 1.00 0.00 O ATOM 975 CB MET A 611 9.346 2.765 1.225 1.00 0.00 C ATOM 976 CG MET A 611 9.237 1.968 2.515 1.00 0.00 C ATOM 977 SD MET A 611 10.802 1.862 3.398 1.00 0.00 S ATOM 978 CE MET A 611 10.973 3.544 3.981 1.00 0.00 C ATOM 0 H MET A 611 9.085 4.169 -0.795 1.00 0.00 H new ATOM 0 HA MET A 611 7.747 1.888 0.085 1.00 0.00 H new ATOM 0 HB2 MET A 611 10.091 2.299 0.580 1.00 0.00 H new ATOM 0 HB3 MET A 611 9.707 3.767 1.455 1.00 0.00 H new ATOM 0 HG2 MET A 611 8.490 2.430 3.161 1.00 0.00 H new ATOM 0 HG3 MET A 611 8.884 0.962 2.288 1.00 0.00 H new ATOM 0 HE1 MET A 611 11.750 3.587 4.744 1.00 0.00 H new ATOM 0 HE2 MET A 611 11.245 4.192 3.148 1.00 0.00 H new ATOM 0 HE3 MET A 611 10.027 3.879 4.407 1.00 0.00 H new ATOM 988 N ALA A 612 7.066 4.615 1.823 1.00 0.00 N ATOM 989 CA ALA A 612 6.113 5.193 2.748 1.00 0.00 C ATOM 990 C ALA A 612 4.743 5.328 2.093 1.00 0.00 C ATOM 991 O ALA A 612 3.715 5.153 2.740 1.00 0.00 O ATOM 992 CB ALA A 612 6.601 6.539 3.257 1.00 0.00 C ATOM 0 H ALA A 612 7.817 5.243 1.538 1.00 0.00 H new ATOM 0 HA ALA A 612 6.019 4.523 3.602 1.00 0.00 H new ATOM 0 HB1 ALA A 612 5.869 6.953 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 612 7.554 6.410 3.770 1.00 0.00 H new ATOM 0 HB3 ALA A 612 6.731 7.221 2.416 1.00 0.00 H new ATOM 998 N ALA A 613 4.734 5.631 0.801 1.00 0.00 N ATOM 999 CA ALA A 613 3.489 5.728 0.052 1.00 0.00 C ATOM 1000 C ALA A 613 2.782 4.378 -0.001 1.00 0.00 C ATOM 1001 O ALA A 613 1.557 4.307 0.036 1.00 0.00 O ATOM 1002 CB ALA A 613 3.753 6.242 -1.355 1.00 0.00 C ATOM 0 H ALA A 613 5.574 5.813 0.251 1.00 0.00 H new ATOM 0 HA ALA A 613 2.838 6.436 0.565 1.00 0.00 H new ATOM 0 HB1 ALA A 613 2.812 6.308 -1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 613 4.212 7.229 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 613 4.425 5.557 -1.872 1.00 0.00 H new ATOM 1008 N ALA A 614 3.567 3.308 -0.073 1.00 0.00 N ATOM 1009 CA ALA A 614 3.025 1.957 -0.124 1.00 0.00 C ATOM 1010 C ALA A 614 2.309 1.603 1.170 1.00 0.00 C ATOM 1011 O ALA A 614 1.167 1.148 1.147 1.00 0.00 O ATOM 1012 CB ALA A 614 4.134 0.952 -0.408 1.00 0.00 C ATOM 0 H ALA A 614 4.586 3.352 -0.097 1.00 0.00 H new ATOM 0 HA ALA A 614 2.297 1.916 -0.934 1.00 0.00 H new ATOM 0 HB1 ALA A 614 3.714 -0.053 -0.443 1.00 0.00 H new ATOM 0 HB2 ALA A 614 4.599 1.185 -1.366 1.00 0.00 H new ATOM 0 HB3 ALA A 614 4.884 1.004 0.382 1.00 0.00 H new ATOM 1018 N GLU A 615 2.976 1.822 2.298 1.00 0.00 N ATOM 1019 CA GLU A 615 2.390 1.516 3.598 1.00 0.00 C ATOM 1020 C GLU A 615 1.178 2.402 3.865 1.00 0.00 C ATOM 1021 O GLU A 615 0.143 1.907 4.300 1.00 0.00 O ATOM 1022 CB GLU A 615 3.431 1.648 4.718 1.00 0.00 C ATOM 1023 CG GLU A 615 4.161 2.979 4.735 1.00 0.00 C ATOM 1024 CD GLU A 615 5.188 3.069 5.842 1.00 0.00 C ATOM 1025 OE1 GLU A 615 4.830 3.507 6.951 1.00 0.00 O ATOM 1026 OE2 GLU A 615 6.355 2.698 5.608 1.00 0.00 O ATOM 0 H GLU A 615 3.919 2.209 2.339 1.00 0.00 H new ATOM 0 HA GLU A 615 2.053 0.480 3.582 1.00 0.00 H new ATOM 0 HB2 GLU A 615 2.935 1.506 5.678 1.00 0.00 H new ATOM 0 HB3 GLU A 615 4.162 0.846 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 615 4.654 3.130 3.775 1.00 0.00 H new ATOM 0 HG3 GLU A 615 3.436 3.785 4.852 1.00 0.00 H new ATOM 1033 N GLN A 616 1.289 3.695 3.565 1.00 0.00 N ATOM 1034 CA GLN A 616 0.175 4.621 3.760 1.00 0.00 C ATOM 1035 C GLN A 616 -1.017 4.217 2.895 1.00 0.00 C ATOM 1036 O GLN A 616 -2.158 4.221 3.358 1.00 0.00 O ATOM 1037 CB GLN A 616 0.597 6.059 3.441 1.00 0.00 C ATOM 1038 CG GLN A 616 1.694 6.595 4.351 1.00 0.00 C ATOM 1039 CD GLN A 616 1.278 6.665 5.807 1.00 0.00 C ATOM 1040 OE1 GLN A 616 1.447 5.709 6.563 1.00 0.00 O ATOM 1041 NE2 GLN A 616 0.758 7.809 6.213 1.00 0.00 N ATOM 0 H GLN A 616 2.134 4.123 3.188 1.00 0.00 H new ATOM 0 HA GLN A 616 -0.122 4.574 4.808 1.00 0.00 H new ATOM 0 HB2 GLN A 616 0.940 6.106 2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 616 -0.275 6.709 3.517 1.00 0.00 H new ATOM 0 HG2 GLN A 616 2.575 5.959 4.261 1.00 0.00 H new ATOM 0 HG3 GLN A 616 1.983 7.590 4.014 1.00 0.00 H new ATOM 0 HE21 GLN A 616 0.635 8.576 5.552 1.00 0.00 H new ATOM 0 HE22 GLN A 616 0.479 7.925 7.187 1.00 0.00 H new ATOM 1050 N GLU A 617 -0.736 3.853 1.647 1.00 0.00 N ATOM 1051 CA GLU A 617 -1.768 3.401 0.718 1.00 0.00 C ATOM 1052 C GLU A 617 -2.423 2.125 1.240 1.00 0.00 C ATOM 1053 O GLU A 617 -3.644 1.982 1.210 1.00 0.00 O ATOM 1054 CB GLU A 617 -1.152 3.136 -0.659 1.00 0.00 C ATOM 1055 CG GLU A 617 -2.163 2.846 -1.760 1.00 0.00 C ATOM 1056 CD GLU A 617 -2.807 4.097 -2.320 1.00 0.00 C ATOM 1057 OE1 GLU A 617 -2.065 5.044 -2.666 1.00 0.00 O ATOM 1058 OE2 GLU A 617 -4.047 4.129 -2.458 1.00 0.00 O ATOM 0 H GLU A 617 0.205 3.862 1.253 1.00 0.00 H new ATOM 0 HA GLU A 617 -2.525 4.180 0.630 1.00 0.00 H new ATOM 0 HB2 GLU A 617 -0.557 4.002 -0.949 1.00 0.00 H new ATOM 0 HB3 GLU A 617 -0.468 2.291 -0.580 1.00 0.00 H new ATOM 0 HG2 GLU A 617 -1.667 2.307 -2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 617 -2.940 2.189 -1.368 1.00 0.00 H new ATOM 1065 N LEU A 618 -1.594 1.211 1.732 1.00 0.00 N ATOM 1066 CA LEU A 618 -2.060 -0.080 2.217 1.00 0.00 C ATOM 1067 C LEU A 618 -3.091 0.076 3.333 1.00 0.00 C ATOM 1068 O LEU A 618 -4.154 -0.541 3.291 1.00 0.00 O ATOM 1069 CB LEU A 618 -0.876 -0.917 2.710 1.00 0.00 C ATOM 1070 CG LEU A 618 -1.237 -2.292 3.273 1.00 0.00 C ATOM 1071 CD1 LEU A 618 -1.958 -3.125 2.229 1.00 0.00 C ATOM 1072 CD2 LEU A 618 0.011 -3.014 3.748 1.00 0.00 C ATOM 0 H LEU A 618 -0.585 1.344 1.805 1.00 0.00 H new ATOM 0 HA LEU A 618 -2.544 -0.592 1.385 1.00 0.00 H new ATOM 0 HB2 LEU A 618 -0.179 -1.053 1.883 1.00 0.00 H new ATOM 0 HB3 LEU A 618 -0.350 -0.354 3.481 1.00 0.00 H new ATOM 0 HG LEU A 618 -1.904 -2.149 4.123 1.00 0.00 H new ATOM 0 HD11 LEU A 618 -2.206 -4.100 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 618 -2.873 -2.616 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 618 -1.313 -3.258 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 618 -0.263 -3.991 4.146 1.00 0.00 H new ATOM 0 HD22 LEU A 618 0.698 -3.143 2.911 1.00 0.00 H new ATOM 0 HD23 LEU A 618 0.496 -2.427 4.528 1.00 0.00 H new ATOM 1084 N GLU A 619 -2.788 0.915 4.315 1.00 0.00 N ATOM 1085 CA GLU A 619 -3.650 1.043 5.481 1.00 0.00 C ATOM 1086 C GLU A 619 -4.969 1.710 5.120 1.00 0.00 C ATOM 1087 O GLU A 619 -6.029 1.244 5.524 1.00 0.00 O ATOM 1088 CB GLU A 619 -2.976 1.838 6.594 1.00 0.00 C ATOM 1089 CG GLU A 619 -1.479 1.631 6.680 1.00 0.00 C ATOM 1090 CD GLU A 619 -0.908 2.126 7.988 1.00 0.00 C ATOM 1091 OE1 GLU A 619 -0.960 3.343 8.240 1.00 0.00 O ATOM 1092 OE2 GLU A 619 -0.419 1.290 8.778 1.00 0.00 O ATOM 0 H GLU A 619 -1.960 1.511 4.328 1.00 0.00 H new ATOM 0 HA GLU A 619 -3.844 0.032 5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 619 -3.177 2.898 6.442 1.00 0.00 H new ATOM 0 HB3 GLU A 619 -3.426 1.561 7.548 1.00 0.00 H new ATOM 0 HG2 GLU A 619 -1.254 0.571 6.565 1.00 0.00 H new ATOM 0 HG3 GLU A 619 -0.994 2.151 5.854 1.00 0.00 H new ATOM 1099 N GLN A 620 -4.907 2.798 4.359 1.00 0.00 N ATOM 1100 CA GLN A 620 -6.122 3.513 3.976 1.00 0.00 C ATOM 1101 C GLN A 620 -6.992 2.640 3.082 1.00 0.00 C ATOM 1102 O GLN A 620 -8.220 2.706 3.135 1.00 0.00 O ATOM 1103 CB GLN A 620 -5.804 4.836 3.273 1.00 0.00 C ATOM 1104 CG GLN A 620 -4.968 4.693 2.015 1.00 0.00 C ATOM 1105 CD GLN A 620 -4.693 6.022 1.342 1.00 0.00 C ATOM 1106 OE1 GLN A 620 -3.656 6.205 0.710 1.00 0.00 O ATOM 1107 NE2 GLN A 620 -5.620 6.958 1.471 1.00 0.00 N ATOM 0 H GLN A 620 -4.042 3.201 3.999 1.00 0.00 H new ATOM 0 HA GLN A 620 -6.668 3.745 4.890 1.00 0.00 H new ATOM 0 HB2 GLN A 620 -6.741 5.332 3.018 1.00 0.00 H new ATOM 0 HB3 GLN A 620 -5.279 5.487 3.972 1.00 0.00 H new ATOM 0 HG2 GLN A 620 -4.021 4.214 2.265 1.00 0.00 H new ATOM 0 HG3 GLN A 620 -5.482 4.035 1.315 1.00 0.00 H new ATOM 0 HE21 GLN A 620 -6.468 6.766 2.005 1.00 0.00 H new ATOM 0 HE22 GLN A 620 -5.486 7.871 1.037 1.00 0.00 H new ATOM 1116 N ALA A 621 -6.347 1.816 2.267 1.00 0.00 N ATOM 1117 CA ALA A 621 -7.063 0.885 1.420 1.00 0.00 C ATOM 1118 C ALA A 621 -7.705 -0.203 2.272 1.00 0.00 C ATOM 1119 O ALA A 621 -8.837 -0.603 2.029 1.00 0.00 O ATOM 1120 CB ALA A 621 -6.132 0.282 0.379 1.00 0.00 C ATOM 0 H ALA A 621 -5.332 1.777 2.178 1.00 0.00 H new ATOM 0 HA ALA A 621 -7.850 1.422 0.892 1.00 0.00 H new ATOM 0 HB1 ALA A 621 -6.689 -0.415 -0.247 1.00 0.00 H new ATOM 0 HB2 ALA A 621 -5.717 1.076 -0.242 1.00 0.00 H new ATOM 0 HB3 ALA A 621 -5.322 -0.248 0.879 1.00 0.00 H new ATOM 1126 N PHE A 622 -6.976 -0.657 3.286 1.00 0.00 N ATOM 1127 CA PHE A 622 -7.488 -1.640 4.235 1.00 0.00 C ATOM 1128 C PHE A 622 -8.708 -1.099 4.971 1.00 0.00 C ATOM 1129 O PHE A 622 -9.751 -1.749 5.033 1.00 0.00 O ATOM 1130 CB PHE A 622 -6.409 -2.002 5.251 1.00 0.00 C ATOM 1131 CG PHE A 622 -5.865 -3.391 5.097 1.00 0.00 C ATOM 1132 CD1 PHE A 622 -6.662 -4.495 5.360 1.00 0.00 C ATOM 1133 CD2 PHE A 622 -4.557 -3.594 4.692 1.00 0.00 C ATOM 1134 CE1 PHE A 622 -6.161 -5.774 5.220 1.00 0.00 C ATOM 1135 CE2 PHE A 622 -4.052 -4.872 4.551 1.00 0.00 C ATOM 1136 CZ PHE A 622 -4.855 -5.962 4.815 1.00 0.00 C ATOM 0 H PHE A 622 -6.019 -0.356 3.473 1.00 0.00 H new ATOM 0 HA PHE A 622 -7.777 -2.529 3.675 1.00 0.00 H new ATOM 0 HB2 PHE A 622 -5.588 -1.290 5.163 1.00 0.00 H new ATOM 0 HB3 PHE A 622 -6.819 -1.893 6.255 1.00 0.00 H new ATOM 0 HD1 PHE A 622 -7.684 -4.353 5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 622 -3.924 -2.744 4.484 1.00 0.00 H new ATOM 0 HE1 PHE A 622 -6.791 -6.627 5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 622 -3.030 -5.018 4.234 1.00 0.00 H new ATOM 0 HZ PHE A 622 -4.462 -6.962 4.705 1.00 0.00 H new ATOM 1146 N GLU A 623 -8.555 0.092 5.536 1.00 0.00 N ATOM 1147 CA GLU A 623 -9.647 0.785 6.208 1.00 0.00 C ATOM 1148 C GLU A 623 -10.851 0.918 5.280 1.00 0.00 C ATOM 1149 O GLU A 623 -11.994 0.680 5.681 1.00 0.00 O ATOM 1150 CB GLU A 623 -9.176 2.165 6.647 1.00 0.00 C ATOM 1151 CG GLU A 623 -8.074 2.134 7.692 1.00 0.00 C ATOM 1152 CD GLU A 623 -8.567 1.713 9.058 1.00 0.00 C ATOM 1153 OE1 GLU A 623 -8.725 0.501 9.296 1.00 0.00 O ATOM 1154 OE2 GLU A 623 -8.802 2.602 9.903 1.00 0.00 O ATOM 0 H GLU A 623 -7.673 0.604 5.541 1.00 0.00 H new ATOM 0 HA GLU A 623 -9.948 0.206 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 623 -8.820 2.712 5.774 1.00 0.00 H new ATOM 0 HB3 GLU A 623 -10.026 2.719 7.045 1.00 0.00 H new ATOM 0 HG2 GLU A 623 -7.292 1.448 7.367 1.00 0.00 H new ATOM 0 HG3 GLU A 623 -7.621 3.123 7.764 1.00 0.00 H new ATOM 1161 N ARG A 624 -10.575 1.305 4.039 1.00 0.00 N ATOM 1162 CA ARG A 624 -11.588 1.366 2.991 1.00 0.00 C ATOM 1163 C ARG A 624 -12.273 0.012 2.838 1.00 0.00 C ATOM 1164 O ARG A 624 -13.496 -0.078 2.848 1.00 0.00 O ATOM 1165 CB ARG A 624 -10.925 1.765 1.667 1.00 0.00 C ATOM 1166 CG ARG A 624 -11.834 1.745 0.447 1.00 0.00 C ATOM 1167 CD ARG A 624 -12.793 2.918 0.430 1.00 0.00 C ATOM 1168 NE ARG A 624 -13.222 3.241 -0.931 1.00 0.00 N ATOM 1169 CZ ARG A 624 -13.967 4.296 -1.257 1.00 0.00 C ATOM 1170 NH1 ARG A 624 -14.423 5.121 -0.320 1.00 0.00 N ATOM 1171 NH2 ARG A 624 -14.245 4.531 -2.531 1.00 0.00 N ATOM 0 H ARG A 624 -9.644 1.585 3.731 1.00 0.00 H new ATOM 0 HA ARG A 624 -12.339 2.108 3.263 1.00 0.00 H new ATOM 0 HB2 ARG A 624 -10.513 2.768 1.775 1.00 0.00 H new ATOM 0 HB3 ARG A 624 -10.086 1.094 1.484 1.00 0.00 H new ATOM 0 HG2 ARG A 624 -11.226 1.762 -0.458 1.00 0.00 H new ATOM 0 HG3 ARG A 624 -12.401 0.814 0.433 1.00 0.00 H new ATOM 0 HD2 ARG A 624 -13.665 2.685 1.042 1.00 0.00 H new ATOM 0 HD3 ARG A 624 -12.313 3.788 0.877 1.00 0.00 H new ATOM 0 HE ARG A 624 -12.931 2.615 -1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 624 -14.203 4.950 0.661 1.00 0.00 H new ATOM 0 HH12 ARG A 624 -14.993 5.926 -0.582 1.00 0.00 H new ATOM 0 HH21 ARG A 624 -13.889 3.906 -3.254 1.00 0.00 H new ATOM 0 HH22 ARG A 624 -14.815 5.337 -2.788 1.00 0.00 H new ATOM 1185 N TRP A 625 -11.461 -1.032 2.719 1.00 0.00 N ATOM 1186 CA TRP A 625 -11.952 -2.385 2.487 1.00 0.00 C ATOM 1187 C TRP A 625 -12.897 -2.845 3.589 1.00 0.00 C ATOM 1188 O TRP A 625 -14.005 -3.310 3.312 1.00 0.00 O ATOM 1189 CB TRP A 625 -10.782 -3.365 2.371 1.00 0.00 C ATOM 1190 CG TRP A 625 -11.236 -4.779 2.198 1.00 0.00 C ATOM 1191 CD1 TRP A 625 -11.778 -5.335 1.078 1.00 0.00 C ATOM 1192 CD2 TRP A 625 -11.204 -5.810 3.187 1.00 0.00 C ATOM 1193 NE1 TRP A 625 -12.089 -6.653 1.312 1.00 0.00 N ATOM 1194 CE2 TRP A 625 -11.746 -6.968 2.601 1.00 0.00 C ATOM 1195 CE3 TRP A 625 -10.772 -5.863 4.516 1.00 0.00 C ATOM 1196 CZ2 TRP A 625 -11.865 -8.164 3.299 1.00 0.00 C ATOM 1197 CZ3 TRP A 625 -10.888 -7.051 5.207 1.00 0.00 C ATOM 1198 CH2 TRP A 625 -11.435 -8.186 4.600 1.00 0.00 C ATOM 0 H TRP A 625 -10.445 -0.965 2.781 1.00 0.00 H new ATOM 0 HA TRP A 625 -12.510 -2.368 1.551 1.00 0.00 H new ATOM 0 HB2 TRP A 625 -10.157 -3.081 1.524 1.00 0.00 H new ATOM 0 HB3 TRP A 625 -10.161 -3.293 3.264 1.00 0.00 H new ATOM 0 HD1 TRP A 625 -11.939 -4.816 0.144 1.00 0.00 H new ATOM 0 HE1 TRP A 625 -12.507 -7.293 0.636 1.00 0.00 H new ATOM 0 HE3 TRP A 625 -10.355 -4.989 4.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 625 -12.282 -9.045 2.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 625 -10.552 -7.106 6.232 1.00 0.00 H new ATOM 0 HH2 TRP A 625 -11.520 -9.100 5.169 1.00 0.00 H new ATOM 1209 N GLU A 626 -12.462 -2.720 4.835 1.00 0.00 N ATOM 1210 CA GLU A 626 -13.267 -3.168 5.962 1.00 0.00 C ATOM 1211 C GLU A 626 -14.567 -2.374 6.038 1.00 0.00 C ATOM 1212 O GLU A 626 -15.602 -2.899 6.437 1.00 0.00 O ATOM 1213 CB GLU A 626 -12.493 -3.042 7.272 1.00 0.00 C ATOM 1214 CG GLU A 626 -11.195 -3.834 7.297 1.00 0.00 C ATOM 1215 CD GLU A 626 -10.628 -3.966 8.694 1.00 0.00 C ATOM 1216 OE1 GLU A 626 -9.965 -3.021 9.171 1.00 0.00 O ATOM 1217 OE2 GLU A 626 -10.859 -5.014 9.329 1.00 0.00 O ATOM 0 H GLU A 626 -11.561 -2.315 5.090 1.00 0.00 H new ATOM 0 HA GLU A 626 -13.507 -4.220 5.808 1.00 0.00 H new ATOM 0 HB2 GLU A 626 -12.269 -1.990 7.451 1.00 0.00 H new ATOM 0 HB3 GLU A 626 -13.128 -3.377 8.092 1.00 0.00 H new ATOM 0 HG2 GLU A 626 -11.370 -4.827 6.883 1.00 0.00 H new ATOM 0 HG3 GLU A 626 -10.462 -3.346 6.655 1.00 0.00 H new ATOM 1224 N TYR A 627 -14.502 -1.111 5.634 1.00 0.00 N ATOM 1225 CA TYR A 627 -15.688 -0.265 5.558 1.00 0.00 C ATOM 1226 C TYR A 627 -16.632 -0.779 4.479 1.00 0.00 C ATOM 1227 O TYR A 627 -17.847 -0.794 4.661 1.00 0.00 O ATOM 1228 CB TYR A 627 -15.279 1.189 5.279 1.00 0.00 C ATOM 1229 CG TYR A 627 -16.304 2.005 4.512 1.00 0.00 C ATOM 1230 CD1 TYR A 627 -17.538 2.339 5.063 1.00 0.00 C ATOM 1231 CD2 TYR A 627 -16.023 2.445 3.226 1.00 0.00 C ATOM 1232 CE1 TYR A 627 -18.459 3.085 4.347 1.00 0.00 C ATOM 1233 CE2 TYR A 627 -16.937 3.188 2.507 1.00 0.00 C ATOM 1234 CZ TYR A 627 -18.151 3.507 3.069 1.00 0.00 C ATOM 1235 OH TYR A 627 -19.061 4.249 2.352 1.00 0.00 O ATOM 0 H TYR A 627 -13.638 -0.648 5.353 1.00 0.00 H new ATOM 0 HA TYR A 627 -16.212 -0.298 6.513 1.00 0.00 H new ATOM 0 HB2 TYR A 627 -15.080 1.684 6.230 1.00 0.00 H new ATOM 0 HB3 TYR A 627 -14.344 1.187 4.718 1.00 0.00 H new ATOM 0 HD1 TYR A 627 -17.780 2.012 6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 627 -15.070 2.201 2.779 1.00 0.00 H new ATOM 0 HE1 TYR A 627 -19.413 3.335 4.786 1.00 0.00 H new ATOM 0 HE2 TYR A 627 -16.700 3.518 1.506 1.00 0.00 H new ATOM 0 HH TYR A 627 -18.687 4.465 1.472 1.00 0.00 H new ATOM 1245 N LEU A 628 -16.066 -1.213 3.363 1.00 0.00 N ATOM 1246 CA LEU A 628 -16.858 -1.710 2.248 1.00 0.00 C ATOM 1247 C LEU A 628 -17.592 -2.988 2.635 1.00 0.00 C ATOM 1248 O LEU A 628 -18.786 -3.123 2.382 1.00 0.00 O ATOM 1249 CB LEU A 628 -15.973 -1.950 1.022 1.00 0.00 C ATOM 1250 CG LEU A 628 -15.143 -0.744 0.590 1.00 0.00 C ATOM 1251 CD1 LEU A 628 -14.386 -1.039 -0.688 1.00 0.00 C ATOM 1252 CD2 LEU A 628 -16.020 0.482 0.413 1.00 0.00 C ATOM 0 H LEU A 628 -15.058 -1.231 3.205 1.00 0.00 H new ATOM 0 HA LEU A 628 -17.600 -0.953 1.994 1.00 0.00 H new ATOM 0 HB2 LEU A 628 -15.300 -2.781 1.234 1.00 0.00 H new ATOM 0 HB3 LEU A 628 -16.605 -2.256 0.189 1.00 0.00 H new ATOM 0 HG LEU A 628 -14.419 -0.538 1.379 1.00 0.00 H new ATOM 0 HD11 LEU A 628 -13.802 -0.164 -0.975 1.00 0.00 H new ATOM 0 HD12 LEU A 628 -13.718 -1.885 -0.528 1.00 0.00 H new ATOM 0 HD13 LEU A 628 -15.093 -1.280 -1.482 1.00 0.00 H new ATOM 0 HD21 LEU A 628 -15.405 1.328 0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 628 -16.773 0.284 -0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 628 -16.513 0.716 1.357 1.00 0.00 H new ATOM 1264 N GLU A 629 -16.873 -3.914 3.260 1.00 0.00 N ATOM 1265 CA GLU A 629 -17.477 -5.148 3.752 1.00 0.00 C ATOM 1266 C GLU A 629 -18.527 -4.852 4.818 1.00 0.00 C ATOM 1267 O GLU A 629 -19.605 -5.448 4.827 1.00 0.00 O ATOM 1268 CB GLU A 629 -16.406 -6.080 4.322 1.00 0.00 C ATOM 1269 CG GLU A 629 -15.740 -6.964 3.281 1.00 0.00 C ATOM 1270 CD GLU A 629 -16.736 -7.853 2.561 1.00 0.00 C ATOM 1271 OE1 GLU A 629 -17.370 -8.697 3.220 1.00 0.00 O ATOM 1272 OE2 GLU A 629 -16.886 -7.714 1.329 1.00 0.00 O ATOM 0 H GLU A 629 -15.872 -3.834 3.438 1.00 0.00 H new ATOM 0 HA GLU A 629 -17.964 -5.641 2.911 1.00 0.00 H new ATOM 0 HB2 GLU A 629 -15.642 -5.480 4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 629 -16.858 -6.713 5.086 1.00 0.00 H new ATOM 0 HG2 GLU A 629 -15.222 -6.339 2.554 1.00 0.00 H new ATOM 0 HG3 GLU A 629 -14.985 -7.584 3.763 1.00 0.00 H new ATOM 1279 N ALA A 630 -18.204 -3.930 5.711 1.00 0.00 N ATOM 1280 CA ALA A 630 -19.119 -3.537 6.774 1.00 0.00 C ATOM 1281 C ALA A 630 -20.391 -2.919 6.208 1.00 0.00 C ATOM 1282 O ALA A 630 -21.499 -3.320 6.565 1.00 0.00 O ATOM 1283 CB ALA A 630 -18.438 -2.564 7.722 1.00 0.00 C ATOM 0 H ALA A 630 -17.311 -3.437 5.722 1.00 0.00 H new ATOM 0 HA ALA A 630 -19.398 -4.434 7.326 1.00 0.00 H new ATOM 0 HB1 ALA A 630 -19.133 -2.279 8.512 1.00 0.00 H new ATOM 0 HB2 ALA A 630 -17.562 -3.039 8.164 1.00 0.00 H new ATOM 0 HB3 ALA A 630 -18.129 -1.675 7.171 1.00 0.00 H new ATOM 1289 N LEU A 631 -20.222 -1.957 5.309 1.00 0.00 N ATOM 1290 CA LEU A 631 -21.348 -1.268 4.692 1.00 0.00 C ATOM 1291 C LEU A 631 -22.213 -2.256 3.920 1.00 0.00 C ATOM 1292 O LEU A 631 -23.439 -2.156 3.905 1.00 0.00 O ATOM 1293 CB LEU A 631 -20.840 -0.191 3.739 1.00 0.00 C ATOM 1294 CG LEU A 631 -21.843 0.912 3.418 1.00 0.00 C ATOM 1295 CD1 LEU A 631 -21.893 1.921 4.551 1.00 0.00 C ATOM 1296 CD2 LEU A 631 -21.486 1.593 2.113 1.00 0.00 C ATOM 0 H LEU A 631 -19.309 -1.635 4.989 1.00 0.00 H new ATOM 0 HA LEU A 631 -21.945 -0.807 5.478 1.00 0.00 H new ATOM 0 HB2 LEU A 631 -19.949 0.264 4.171 1.00 0.00 H new ATOM 0 HB3 LEU A 631 -20.535 -0.667 2.807 1.00 0.00 H new ATOM 0 HG LEU A 631 -22.830 0.463 3.309 1.00 0.00 H new ATOM 0 HD11 LEU A 631 -22.613 2.703 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 631 -22.196 1.421 5.471 1.00 0.00 H new ATOM 0 HD13 LEU A 631 -20.907 2.365 4.687 1.00 0.00 H new ATOM 0 HD21 LEU A 631 -22.213 2.377 1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 631 -20.491 2.032 2.192 1.00 0.00 H new ATOM 0 HD23 LEU A 631 -21.496 0.861 1.306 1.00 0.00 H new ATOM 1308 N LYS A 632 -21.549 -3.222 3.300 1.00 0.00 N ATOM 1309 CA LYS A 632 -22.215 -4.238 2.501 1.00 0.00 C ATOM 1310 C LYS A 632 -23.115 -5.117 3.371 1.00 0.00 C ATOM 1311 O LYS A 632 -24.098 -5.683 2.895 1.00 0.00 O ATOM 1312 CB LYS A 632 -21.164 -5.092 1.783 1.00 0.00 C ATOM 1313 CG LYS A 632 -21.730 -6.112 0.804 1.00 0.00 C ATOM 1314 CD LYS A 632 -21.610 -7.536 1.333 1.00 0.00 C ATOM 1315 CE LYS A 632 -20.160 -7.932 1.568 1.00 0.00 C ATOM 1316 NZ LYS A 632 -19.362 -7.941 0.309 1.00 0.00 N ATOM 0 H LYS A 632 -20.535 -3.322 3.338 1.00 0.00 H new ATOM 0 HA LYS A 632 -22.847 -3.745 1.762 1.00 0.00 H new ATOM 0 HB2 LYS A 632 -20.485 -4.431 1.245 1.00 0.00 H new ATOM 0 HB3 LYS A 632 -20.571 -5.618 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 632 -22.778 -5.885 0.609 1.00 0.00 H new ATOM 0 HG3 LYS A 632 -21.204 -6.033 -0.147 1.00 0.00 H new ATOM 0 HD2 LYS A 632 -22.167 -7.625 2.266 1.00 0.00 H new ATOM 0 HD3 LYS A 632 -22.065 -8.227 0.623 1.00 0.00 H new ATOM 0 HE2 LYS A 632 -19.707 -7.239 2.277 1.00 0.00 H new ATOM 0 HE3 LYS A 632 -20.126 -8.922 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 632 -18.374 -8.184 0.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 632 -19.756 -8.646 -0.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 632 -19.398 -7.000 -0.132 1.00 0.00 H new