USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 566 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 603 LYS NZ :NH3+ -114:sc= 0.835 (180deg=-0.368!) USER MOD Single : A 612 LYS NZ :NH3+ 158:sc= 1.26 (180deg=1.03) USER MOD Single : A 614 TYR OH : rot -147:sc= 0.903 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot 169:sc= 0.869 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 84:sc= 0.432 USER MOD Single : A 631 MET CE :methyl 175:sc= -0.494 (180deg=-0.539) USER MOD Single : A 632 MET CE :methyl 155:sc= -0.0318 (180deg=-0.756) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 1.27 K(o=1.3,f=-0.17) USER MOD Single : A 638 SER OG : rot 180:sc= 0.00215 USER MOD Single : A 641 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 650 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 652 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0119) USER MOD Single : A 662 TYR OH : rot 40:sc= 1.24 USER MOD Single : A 664 LYS NZ :NH3+ 171:sc= 1.65 (180deg=1.37) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -4.255 -2.266 2.308 1.00 0.00 N ATOM 325 CA ARG A 601 -3.094 -3.006 1.803 1.00 0.00 C ATOM 326 C ARG A 601 -2.517 -3.850 2.939 1.00 0.00 C ATOM 327 O ARG A 601 -3.004 -3.790 4.066 1.00 0.00 O ATOM 328 CB ARG A 601 -2.049 -2.041 1.183 1.00 0.00 C ATOM 329 CG ARG A 601 -1.679 -0.788 2.001 1.00 0.00 C ATOM 330 CD ARG A 601 -0.846 -1.022 3.278 1.00 0.00 C ATOM 331 NE ARG A 601 -1.270 -0.089 4.342 1.00 0.00 N ATOM 332 CZ ARG A 601 -2.383 -0.217 5.085 1.00 0.00 C ATOM 333 NH1 ARG A 601 -2.978 -1.389 5.249 1.00 0.00 N ATOM 334 NH2 ARG A 601 -2.950 0.845 5.655 1.00 0.00 N ATOM 0 HA ARG A 601 -3.397 -3.677 0.999 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.135 -2.606 0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.424 -1.714 0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.126 -0.108 1.353 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.601 -0.280 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.968 -2.051 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.213 -0.881 3.061 1.00 0.00 H new ATOM 0 HE ARG A 601 -0.671 0.716 4.527 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -2.593 -2.223 4.806 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -3.822 -1.457 5.818 1.00 0.00 H new ATOM 0 HH21 ARG A 601 -2.540 1.771 5.530 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -3.794 0.733 6.216 1.00 0.00 H new ATOM 348 N ASP A 602 -1.417 -4.554 2.696 1.00 0.00 N ATOM 349 CA ASP A 602 -0.591 -5.149 3.737 1.00 0.00 C ATOM 350 C ASP A 602 0.853 -5.095 3.271 1.00 0.00 C ATOM 351 O ASP A 602 1.062 -5.086 2.066 1.00 0.00 O ATOM 352 CB ASP A 602 -1.017 -6.601 3.956 1.00 0.00 C ATOM 353 CG ASP A 602 -0.313 -7.146 5.190 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.807 -7.668 5.035 1.00 0.00 O ATOM 355 OD2 ASP A 602 -0.762 -6.938 6.332 1.00 0.00 O ATOM 0 H ASP A 602 -1.069 -4.730 1.753 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.703 -4.608 4.677 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -2.098 -6.661 4.083 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.765 -7.203 3.083 1.00 0.00 H new ATOM 360 N LYS A 603 1.854 -5.115 4.156 1.00 0.00 N ATOM 361 CA LYS A 603 3.254 -5.188 3.728 1.00 0.00 C ATOM 362 C LYS A 603 3.534 -6.453 2.903 1.00 0.00 C ATOM 363 O LYS A 603 4.289 -6.368 1.935 1.00 0.00 O ATOM 364 CB LYS A 603 4.265 -4.958 4.877 1.00 0.00 C ATOM 365 CG LYS A 603 3.744 -5.069 6.320 1.00 0.00 C ATOM 366 CD LYS A 603 3.439 -6.519 6.729 1.00 0.00 C ATOM 367 CE LYS A 603 2.435 -6.591 7.888 1.00 0.00 C ATOM 368 NZ LYS A 603 1.471 -7.701 7.714 1.00 0.00 N ATOM 0 H LYS A 603 1.722 -5.082 5.167 1.00 0.00 H new ATOM 0 HA LYS A 603 3.415 -4.344 3.057 1.00 0.00 H new ATOM 0 HB2 LYS A 603 5.077 -5.675 4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 603 4.695 -3.965 4.751 1.00 0.00 H new ATOM 0 HG2 LYS A 603 4.484 -4.651 7.003 1.00 0.00 H new ATOM 0 HG3 LYS A 603 2.840 -4.469 6.423 1.00 0.00 H new ATOM 0 HD2 LYS A 603 3.042 -7.062 5.871 1.00 0.00 H new ATOM 0 HD3 LYS A 603 4.365 -7.016 7.020 1.00 0.00 H new ATOM 0 HE2 LYS A 603 2.973 -6.721 8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 603 1.894 -5.648 7.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 0.517 -7.313 7.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 1.741 -8.268 6.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 1.478 -8.303 8.562 1.00 0.00 H new ATOM 382 N PHE A 604 2.853 -7.576 3.179 1.00 0.00 N ATOM 383 CA PHE A 604 2.863 -8.758 2.316 1.00 0.00 C ATOM 384 C PHE A 604 2.446 -8.372 0.894 1.00 0.00 C ATOM 385 O PHE A 604 3.083 -8.762 -0.084 1.00 0.00 O ATOM 386 CB PHE A 604 1.893 -9.827 2.868 1.00 0.00 C ATOM 387 CG PHE A 604 2.185 -10.386 4.255 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.503 -10.638 4.680 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.117 -10.662 5.134 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.750 -11.093 5.985 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.363 -11.143 6.432 1.00 0.00 C ATOM 392 CZ PHE A 604 2.684 -11.349 6.863 1.00 0.00 C ATOM 0 H PHE A 604 2.277 -7.686 4.014 1.00 0.00 H new ATOM 0 HA PHE A 604 3.873 -9.168 2.296 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.891 -9.398 2.881 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.874 -10.660 2.166 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.327 -10.481 4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.100 -10.502 4.807 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.766 -11.247 6.316 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.538 -11.354 7.096 1.00 0.00 H new ATOM 0 HZ PHE A 604 2.879 -11.703 7.865 1.00 0.00 H new ATOM 402 N ARG A 605 1.370 -7.586 0.790 1.00 0.00 N ATOM 403 CA ARG A 605 0.848 -7.074 -0.463 1.00 0.00 C ATOM 404 C ARG A 605 1.797 -6.034 -1.064 1.00 0.00 C ATOM 405 O ARG A 605 2.022 -6.109 -2.261 1.00 0.00 O ATOM 406 CB ARG A 605 -0.592 -6.548 -0.277 1.00 0.00 C ATOM 407 CG ARG A 605 -1.651 -7.641 -0.483 1.00 0.00 C ATOM 408 CD ARG A 605 -1.882 -8.483 0.779 1.00 0.00 C ATOM 409 NE ARG A 605 -2.416 -9.812 0.441 1.00 0.00 N ATOM 410 CZ ARG A 605 -3.368 -10.503 1.082 1.00 0.00 C ATOM 411 NH1 ARG A 605 -4.032 -9.994 2.119 1.00 0.00 N ATOM 412 NH2 ARG A 605 -3.656 -11.730 0.676 1.00 0.00 N ATOM 0 H ARG A 605 0.830 -7.285 1.601 1.00 0.00 H new ATOM 0 HA ARG A 605 0.790 -7.888 -1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.696 -6.131 0.725 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.772 -5.736 -0.981 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.591 -7.179 -0.784 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.341 -8.294 -1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -0.944 -8.593 1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.576 -7.967 1.442 1.00 0.00 H new ATOM 0 HE ARG A 605 -2.012 -10.261 -0.381 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -3.821 -9.051 2.447 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -4.751 -10.547 2.585 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -3.156 -12.136 -0.114 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -4.378 -12.269 1.154 1.00 0.00 H new ATOM 426 N LEU A 606 2.397 -5.119 -0.288 1.00 0.00 N ATOM 427 CA LEU A 606 3.322 -4.107 -0.786 1.00 0.00 C ATOM 428 C LEU A 606 4.495 -4.800 -1.473 1.00 0.00 C ATOM 429 O LEU A 606 4.890 -4.378 -2.560 1.00 0.00 O ATOM 430 CB LEU A 606 3.824 -3.184 0.347 1.00 0.00 C ATOM 431 CG LEU A 606 2.760 -2.351 1.102 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.445 -1.447 2.134 1.00 0.00 C ATOM 433 CD2 LEU A 606 1.903 -1.508 0.156 1.00 0.00 C ATOM 0 H LEU A 606 2.246 -5.066 0.719 1.00 0.00 H new ATOM 0 HA LEU A 606 2.795 -3.476 -1.502 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.351 -3.799 1.076 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.555 -2.495 -0.077 1.00 0.00 H new ATOM 0 HG LEU A 606 2.093 -3.051 1.605 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.692 -0.863 2.663 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.995 -2.061 2.847 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.136 -0.774 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.172 -0.942 0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.541 -0.818 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.384 -2.162 -0.545 1.00 0.00 H new ATOM 445 N LEU A 607 5.006 -5.892 -0.881 1.00 0.00 N ATOM 446 CA LEU A 607 6.019 -6.689 -1.553 1.00 0.00 C ATOM 447 C LEU A 607 5.433 -7.308 -2.828 1.00 0.00 C ATOM 448 O LEU A 607 6.007 -7.148 -3.902 1.00 0.00 O ATOM 449 CB LEU A 607 6.640 -7.758 -0.625 1.00 0.00 C ATOM 450 CG LEU A 607 7.732 -8.615 -1.308 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.121 -8.086 -0.955 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.639 -10.088 -0.882 1.00 0.00 C ATOM 0 H LEU A 607 4.735 -6.230 0.042 1.00 0.00 H new ATOM 0 HA LEU A 607 6.839 -6.027 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 607 7.070 -7.264 0.246 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.849 -8.415 -0.262 1.00 0.00 H new ATOM 0 HG LEU A 607 7.570 -8.549 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.879 -8.699 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.215 -7.055 -1.295 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.262 -8.126 0.125 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.421 -10.661 -1.381 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.767 -10.163 0.198 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.663 -10.486 -1.161 1.00 0.00 H new ATOM 464 N LEU A 608 4.304 -8.022 -2.727 1.00 0.00 N ATOM 465 CA LEU A 608 3.731 -8.789 -3.823 1.00 0.00 C ATOM 466 C LEU A 608 3.400 -7.909 -5.037 1.00 0.00 C ATOM 467 O LEU A 608 3.616 -8.335 -6.168 1.00 0.00 O ATOM 468 CB LEU A 608 2.497 -9.528 -3.286 1.00 0.00 C ATOM 469 CG LEU A 608 1.792 -10.412 -4.324 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.674 -11.573 -4.800 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.495 -10.972 -3.727 1.00 0.00 C ATOM 0 H LEU A 608 3.761 -8.079 -1.866 1.00 0.00 H new ATOM 0 HA LEU A 608 4.461 -9.511 -4.188 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.798 -10.148 -2.441 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.785 -8.795 -2.906 1.00 0.00 H new ATOM 0 HG LEU A 608 1.576 -9.786 -5.190 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.129 -12.167 -5.533 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.581 -11.177 -5.256 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.940 -12.201 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.004 -11.599 -4.465 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.728 -11.567 -2.844 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.162 -10.148 -3.447 1.00 0.00 H new ATOM 483 N GLU A 609 2.906 -6.688 -4.813 1.00 0.00 N ATOM 484 CA GLU A 609 2.629 -5.671 -5.816 1.00 0.00 C ATOM 485 C GLU A 609 3.919 -5.331 -6.566 1.00 0.00 C ATOM 486 O GLU A 609 3.934 -5.369 -7.793 1.00 0.00 O ATOM 487 CB GLU A 609 1.980 -4.440 -5.161 1.00 0.00 C ATOM 488 CG GLU A 609 0.619 -4.760 -4.506 1.00 0.00 C ATOM 489 CD GLU A 609 -0.595 -4.340 -5.333 1.00 0.00 C ATOM 490 OE1 GLU A 609 -1.047 -3.184 -5.172 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.146 -5.207 -6.055 1.00 0.00 O ATOM 0 H GLU A 609 2.678 -6.371 -3.871 1.00 0.00 H new ATOM 0 HA GLU A 609 1.914 -6.049 -6.547 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.656 -4.037 -4.407 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.843 -3.664 -5.914 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.563 -5.832 -4.320 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.571 -4.265 -3.536 1.00 0.00 H new ATOM 498 N LEU A 610 5.036 -5.123 -5.859 1.00 0.00 N ATOM 499 CA LEU A 610 6.306 -4.891 -6.537 1.00 0.00 C ATOM 500 C LEU A 610 6.743 -6.116 -7.331 1.00 0.00 C ATOM 501 O LEU A 610 7.359 -5.945 -8.376 1.00 0.00 O ATOM 502 CB LEU A 610 7.399 -4.462 -5.546 1.00 0.00 C ATOM 503 CG LEU A 610 7.294 -3.007 -5.055 1.00 0.00 C ATOM 504 CD1 LEU A 610 8.130 -2.846 -3.785 1.00 0.00 C ATOM 505 CD2 LEU A 610 7.823 -2.003 -6.079 1.00 0.00 C ATOM 0 H LEU A 610 5.083 -5.111 -4.840 1.00 0.00 H new ATOM 0 HA LEU A 610 6.154 -4.073 -7.241 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.366 -5.125 -4.682 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.372 -4.602 -6.018 1.00 0.00 H new ATOM 0 HG LEU A 610 6.237 -2.806 -4.881 1.00 0.00 H new ATOM 0 HD11 LEU A 610 8.060 -1.817 -3.431 1.00 0.00 H new ATOM 0 HD12 LEU A 610 7.756 -3.521 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 610 9.171 -3.085 -4.002 1.00 0.00 H new ATOM 0 HD21 LEU A 610 7.725 -0.993 -5.682 1.00 0.00 H new ATOM 0 HD22 LEU A 610 8.873 -2.212 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 610 7.249 -2.087 -7.002 1.00 0.00 H new ATOM 517 N ILE A 611 6.405 -7.337 -6.901 1.00 0.00 N ATOM 518 CA ILE A 611 6.728 -8.528 -7.683 1.00 0.00 C ATOM 519 C ILE A 611 5.931 -8.505 -8.995 1.00 0.00 C ATOM 520 O ILE A 611 6.516 -8.745 -10.050 1.00 0.00 O ATOM 521 CB ILE A 611 6.544 -9.839 -6.876 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.404 -9.809 -5.595 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.952 -11.082 -7.689 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.199 -10.979 -4.641 1.00 0.00 C ATOM 0 H ILE A 611 5.914 -7.522 -6.026 1.00 0.00 H new ATOM 0 HA ILE A 611 7.789 -8.509 -7.932 1.00 0.00 H new ATOM 0 HB ILE A 611 5.484 -9.904 -6.630 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.455 -9.778 -5.884 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.194 -8.884 -5.058 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.806 -11.977 -7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.337 -11.147 -8.587 1.00 0.00 H new ATOM 0 HG23 ILE A 611 8.001 -11.003 -7.973 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.850 -10.861 -3.775 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.160 -11.003 -4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.440 -11.911 -5.152 1.00 0.00 H new ATOM 536 N LYS A 612 4.625 -8.192 -8.977 1.00 0.00 N ATOM 537 CA LYS A 612 3.820 -8.246 -10.205 1.00 0.00 C ATOM 538 C LYS A 612 4.251 -7.111 -11.122 1.00 0.00 C ATOM 539 O LYS A 612 4.394 -7.316 -12.328 1.00 0.00 O ATOM 540 CB LYS A 612 2.289 -8.239 -9.961 1.00 0.00 C ATOM 541 CG LYS A 612 1.802 -7.224 -8.921 1.00 0.00 C ATOM 542 CD LYS A 612 0.296 -6.963 -8.848 1.00 0.00 C ATOM 543 CE LYS A 612 -0.420 -7.972 -7.947 1.00 0.00 C ATOM 544 NZ LYS A 612 -1.689 -7.408 -7.443 1.00 0.00 N ATOM 0 H LYS A 612 4.113 -7.905 -8.143 1.00 0.00 H new ATOM 0 HA LYS A 612 4.011 -9.207 -10.682 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.787 -8.036 -10.907 1.00 0.00 H new ATOM 0 HB3 LYS A 612 1.982 -9.236 -9.645 1.00 0.00 H new ATOM 0 HG2 LYS A 612 2.134 -7.561 -7.939 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.300 -6.274 -9.117 1.00 0.00 H new ATOM 0 HD2 LYS A 612 0.121 -5.955 -8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.128 -7.008 -9.851 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.618 -8.888 -8.503 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.223 -8.241 -7.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -2.325 -8.181 -7.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 -1.497 -6.801 -6.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -2.140 -6.844 -8.192 1.00 0.00 H new ATOM 558 N GLU A 613 4.517 -5.938 -10.545 1.00 0.00 N ATOM 559 CA GLU A 613 4.827 -4.735 -11.287 1.00 0.00 C ATOM 560 C GLU A 613 6.283 -4.694 -11.768 1.00 0.00 C ATOM 561 O GLU A 613 6.679 -3.734 -12.421 1.00 0.00 O ATOM 562 CB GLU A 613 4.268 -3.504 -10.563 1.00 0.00 C ATOM 563 CG GLU A 613 5.243 -2.858 -9.594 1.00 0.00 C ATOM 564 CD GLU A 613 4.526 -1.904 -8.618 1.00 0.00 C ATOM 565 OE1 GLU A 613 3.876 -0.954 -9.112 1.00 0.00 O ATOM 566 OE2 GLU A 613 4.621 -2.124 -7.388 1.00 0.00 O ATOM 0 H GLU A 613 4.521 -5.805 -9.534 1.00 0.00 H new ATOM 0 HA GLU A 613 4.300 -4.732 -12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 613 3.967 -2.765 -11.305 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.369 -3.793 -10.018 1.00 0.00 H new ATOM 0 HG2 GLU A 613 5.763 -3.632 -9.030 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.000 -2.307 -10.152 1.00 0.00 H new ATOM 573 N TYR A 614 7.049 -5.764 -11.513 1.00 0.00 N ATOM 574 CA TYR A 614 8.376 -5.976 -12.060 1.00 0.00 C ATOM 575 C TYR A 614 8.424 -7.230 -12.920 1.00 0.00 C ATOM 576 O TYR A 614 9.072 -7.199 -13.963 1.00 0.00 O ATOM 577 CB TYR A 614 9.448 -6.036 -10.969 1.00 0.00 C ATOM 578 CG TYR A 614 10.121 -4.701 -10.744 1.00 0.00 C ATOM 579 CD1 TYR A 614 11.214 -4.345 -11.559 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.628 -3.792 -9.789 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.822 -3.088 -11.416 1.00 0.00 C ATOM 582 CE2 TYR A 614 10.233 -2.531 -9.642 1.00 0.00 C ATOM 583 CZ TYR A 614 11.335 -2.174 -10.456 1.00 0.00 C ATOM 584 OH TYR A 614 11.935 -0.957 -10.339 1.00 0.00 O ATOM 0 H TYR A 614 6.744 -6.522 -10.902 1.00 0.00 H new ATOM 0 HA TYR A 614 8.596 -5.114 -12.690 1.00 0.00 H new ATOM 0 HB2 TYR A 614 8.994 -6.372 -10.037 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.200 -6.776 -11.243 1.00 0.00 H new ATOM 0 HD1 TYR A 614 11.585 -5.042 -12.296 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.786 -4.063 -9.170 1.00 0.00 H new ATOM 0 HE1 TYR A 614 12.662 -2.820 -12.040 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.857 -1.834 -8.908 1.00 0.00 H new ATOM 0 HH TYR A 614 11.901 -0.664 -9.404 1.00 0.00 H new ATOM 594 N GLU A 615 7.721 -8.310 -12.551 1.00 0.00 N ATOM 595 CA GLU A 615 7.619 -9.449 -13.446 1.00 0.00 C ATOM 596 C GLU A 615 7.063 -8.985 -14.799 1.00 0.00 C ATOM 597 O GLU A 615 7.694 -9.259 -15.823 1.00 0.00 O ATOM 598 CB GLU A 615 6.825 -10.620 -12.824 1.00 0.00 C ATOM 599 CG GLU A 615 7.737 -11.600 -12.048 1.00 0.00 C ATOM 600 CD GLU A 615 7.268 -13.064 -12.042 1.00 0.00 C ATOM 601 OE1 GLU A 615 6.350 -13.392 -11.253 1.00 0.00 O ATOM 602 OE2 GLU A 615 7.913 -13.879 -12.755 1.00 0.00 O ATOM 0 H GLU A 615 7.230 -8.410 -11.662 1.00 0.00 H new ATOM 0 HA GLU A 615 8.616 -9.856 -13.616 1.00 0.00 H new ATOM 0 HB2 GLU A 615 6.065 -10.224 -12.151 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.302 -11.161 -13.613 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.738 -11.557 -12.478 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.818 -11.257 -11.017 1.00 0.00 H new ATOM 609 N ASP A 616 5.974 -8.211 -14.819 1.00 0.00 N ATOM 610 CA ASP A 616 5.379 -7.730 -16.065 1.00 0.00 C ATOM 611 C ASP A 616 6.341 -6.826 -16.840 1.00 0.00 C ATOM 612 O ASP A 616 6.388 -6.879 -18.067 1.00 0.00 O ATOM 613 CB ASP A 616 4.067 -7.002 -15.757 1.00 0.00 C ATOM 614 CG ASP A 616 3.299 -6.661 -17.035 1.00 0.00 C ATOM 615 OD1 ASP A 616 2.887 -7.624 -17.721 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.089 -5.453 -17.278 1.00 0.00 O ATOM 0 H ASP A 616 5.485 -7.903 -13.978 1.00 0.00 H new ATOM 0 HA ASP A 616 5.171 -8.589 -16.703 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.446 -7.626 -15.114 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.279 -6.087 -15.204 1.00 0.00 H new ATOM 621 N ASP A 617 7.172 -6.063 -16.123 1.00 0.00 N ATOM 622 CA ASP A 617 8.156 -5.161 -16.713 1.00 0.00 C ATOM 623 C ASP A 617 9.253 -5.924 -17.425 1.00 0.00 C ATOM 624 O ASP A 617 9.679 -5.570 -18.524 1.00 0.00 O ATOM 625 CB ASP A 617 8.814 -4.338 -15.615 1.00 0.00 C ATOM 626 CG ASP A 617 9.645 -3.180 -16.172 1.00 0.00 C ATOM 627 OD1 ASP A 617 9.038 -2.267 -16.774 1.00 0.00 O ATOM 628 OD2 ASP A 617 10.882 -3.222 -15.986 1.00 0.00 O ATOM 0 H ASP A 617 7.177 -6.057 -15.103 1.00 0.00 H new ATOM 0 HA ASP A 617 7.630 -4.528 -17.427 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.045 -3.943 -14.951 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.454 -4.984 -15.014 1.00 0.00 H new ATOM 633 N TYR A 618 9.723 -6.983 -16.762 1.00 0.00 N ATOM 634 CA TYR A 618 10.892 -7.717 -17.198 1.00 0.00 C ATOM 635 C TYR A 618 10.466 -8.901 -18.067 1.00 0.00 C ATOM 636 O TYR A 618 11.329 -9.606 -18.596 1.00 0.00 O ATOM 637 CB TYR A 618 11.708 -8.128 -15.962 1.00 0.00 C ATOM 638 CG TYR A 618 13.165 -7.697 -15.955 1.00 0.00 C ATOM 639 CD1 TYR A 618 13.941 -7.721 -17.131 1.00 0.00 C ATOM 640 CD2 TYR A 618 13.733 -7.232 -14.752 1.00 0.00 C ATOM 641 CE1 TYR A 618 15.273 -7.268 -17.109 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.067 -6.790 -14.719 1.00 0.00 C ATOM 643 CZ TYR A 618 15.841 -6.804 -15.902 1.00 0.00 C ATOM 644 OH TYR A 618 17.142 -6.405 -15.887 1.00 0.00 O ATOM 0 H TYR A 618 9.298 -7.348 -15.910 1.00 0.00 H new ATOM 0 HA TYR A 618 11.536 -7.097 -17.821 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.223 -7.716 -15.077 1.00 0.00 H new ATOM 0 HB3 TYR A 618 11.670 -9.213 -15.870 1.00 0.00 H new ATOM 0 HD1 TYR A 618 13.512 -8.088 -18.052 1.00 0.00 H new ATOM 0 HD2 TYR A 618 13.140 -7.215 -13.850 1.00 0.00 H new ATOM 0 HE1 TYR A 618 15.861 -7.275 -18.015 1.00 0.00 H new ATOM 0 HE2 TYR A 618 15.499 -6.441 -13.793 1.00 0.00 H new ATOM 0 HH TYR A 618 17.384 -6.112 -14.984 1.00 0.00 H new ATOM 654 N GLY A 619 9.152 -9.120 -18.214 1.00 0.00 N ATOM 655 CA GLY A 619 8.628 -10.212 -19.034 1.00 0.00 C ATOM 656 C GLY A 619 8.742 -11.555 -18.313 1.00 0.00 C ATOM 657 O GLY A 619 8.863 -12.604 -18.943 1.00 0.00 O ATOM 0 H GLY A 619 8.432 -8.549 -17.771 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.584 -10.016 -19.279 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.174 -10.256 -19.976 1.00 0.00 H new ATOM 661 N GLY A 620 8.720 -11.488 -16.984 1.00 0.00 N ATOM 662 CA GLY A 620 8.789 -12.570 -16.033 1.00 0.00 C ATOM 663 C GLY A 620 10.122 -12.572 -15.302 1.00 0.00 C ATOM 664 O GLY A 620 10.830 -13.577 -15.318 1.00 0.00 O ATOM 0 H GLY A 620 8.646 -10.586 -16.513 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.976 -12.478 -15.313 1.00 0.00 H new ATOM 0 HA3 GLY A 620 8.652 -13.521 -16.548 1.00 0.00 H new ATOM 668 N ARG A 621 10.475 -11.446 -14.663 1.00 0.00 N ATOM 669 CA ARG A 621 11.459 -11.432 -13.586 1.00 0.00 C ATOM 670 C ARG A 621 11.252 -10.252 -12.649 1.00 0.00 C ATOM 671 O ARG A 621 11.398 -9.108 -13.055 1.00 0.00 O ATOM 672 CB ARG A 621 12.885 -11.481 -14.138 1.00 0.00 C ATOM 673 CG ARG A 621 13.997 -11.324 -13.089 1.00 0.00 C ATOM 674 CD ARG A 621 15.365 -11.731 -13.651 1.00 0.00 C ATOM 675 NE ARG A 621 15.752 -10.905 -14.811 1.00 0.00 N ATOM 676 CZ ARG A 621 15.537 -11.176 -16.109 1.00 0.00 C ATOM 677 NH1 ARG A 621 14.980 -12.325 -16.500 1.00 0.00 N ATOM 678 NH2 ARG A 621 15.871 -10.277 -17.030 1.00 0.00 N ATOM 0 H ARG A 621 10.086 -10.529 -14.881 1.00 0.00 H new ATOM 0 HA ARG A 621 11.310 -12.334 -12.993 1.00 0.00 H new ATOM 0 HB2 ARG A 621 13.026 -12.431 -14.654 1.00 0.00 H new ATOM 0 HB3 ARG A 621 12.997 -10.694 -14.883 1.00 0.00 H new ATOM 0 HG2 ARG A 621 14.035 -10.288 -12.751 1.00 0.00 H new ATOM 0 HG3 ARG A 621 13.765 -11.936 -12.217 1.00 0.00 H new ATOM 0 HD2 ARG A 621 16.120 -11.637 -12.871 1.00 0.00 H new ATOM 0 HD3 ARG A 621 15.339 -12.780 -13.945 1.00 0.00 H new ATOM 0 HE ARG A 621 16.236 -10.031 -14.604 1.00 0.00 H new ATOM 0 HH11 ARG A 621 14.707 -13.021 -15.807 1.00 0.00 H new ATOM 0 HH12 ARG A 621 14.828 -12.506 -17.492 1.00 0.00 H new ATOM 0 HH21 ARG A 621 16.287 -9.389 -16.749 1.00 0.00 H new ATOM 0 HH22 ARG A 621 15.711 -10.475 -18.018 1.00 0.00 H new ATOM 692 N ALA A 622 10.980 -10.542 -11.379 1.00 0.00 N ATOM 693 CA ALA A 622 11.061 -9.581 -10.292 1.00 0.00 C ATOM 694 C ALA A 622 12.371 -9.822 -9.530 1.00 0.00 C ATOM 695 O ALA A 622 12.449 -10.762 -8.742 1.00 0.00 O ATOM 696 CB ALA A 622 9.841 -9.681 -9.387 1.00 0.00 C ATOM 0 H ALA A 622 10.692 -11.472 -11.075 1.00 0.00 H new ATOM 0 HA ALA A 622 11.065 -8.565 -10.686 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.925 -8.952 -8.581 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.940 -9.479 -9.967 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.783 -10.684 -8.964 1.00 0.00 H new ATOM 702 N PRO A 623 13.434 -9.047 -9.793 1.00 0.00 N ATOM 703 CA PRO A 623 14.715 -9.226 -9.131 1.00 0.00 C ATOM 704 C PRO A 623 14.610 -8.920 -7.627 1.00 0.00 C ATOM 705 O PRO A 623 14.228 -7.816 -7.242 1.00 0.00 O ATOM 706 CB PRO A 623 15.708 -8.336 -9.880 1.00 0.00 C ATOM 707 CG PRO A 623 14.847 -7.332 -10.649 1.00 0.00 C ATOM 708 CD PRO A 623 13.480 -7.983 -10.773 1.00 0.00 C ATOM 0 HA PRO A 623 15.059 -10.260 -9.168 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.381 -7.829 -9.189 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.329 -8.922 -10.557 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.783 -6.382 -10.118 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.272 -7.121 -11.630 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.688 -7.256 -10.592 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.329 -8.376 -11.778 1.00 0.00 H new ATOM 716 N THR A 624 14.961 -9.893 -6.774 1.00 0.00 N ATOM 717 CA THR A 624 14.786 -9.918 -5.329 1.00 0.00 C ATOM 718 C THR A 624 15.475 -8.709 -4.705 1.00 0.00 C ATOM 719 O THR A 624 14.926 -8.060 -3.816 1.00 0.00 O ATOM 720 CB THR A 624 15.373 -11.238 -4.773 1.00 0.00 C ATOM 721 OG1 THR A 624 15.008 -12.334 -5.592 1.00 0.00 O ATOM 722 CG2 THR A 624 14.915 -11.482 -3.332 1.00 0.00 C ATOM 0 H THR A 624 15.409 -10.745 -7.111 1.00 0.00 H new ATOM 0 HA THR A 624 13.726 -9.870 -5.079 1.00 0.00 H new ATOM 0 HB THR A 624 16.459 -11.145 -4.777 1.00 0.00 H new ATOM 0 HG1 THR A 624 15.532 -13.122 -5.337 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.343 -12.416 -2.968 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.249 -10.659 -2.700 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.827 -11.545 -3.302 1.00 0.00 H new ATOM 730 N ASN A 625 16.676 -8.384 -5.194 1.00 0.00 N ATOM 731 CA ASN A 625 17.436 -7.276 -4.648 1.00 0.00 C ATOM 732 C ASN A 625 16.751 -5.947 -4.938 1.00 0.00 C ATOM 733 O ASN A 625 16.647 -5.108 -4.047 1.00 0.00 O ATOM 734 CB ASN A 625 18.880 -7.285 -5.163 1.00 0.00 C ATOM 735 CG ASN A 625 19.600 -8.563 -4.756 1.00 0.00 C ATOM 736 OD1 ASN A 625 19.629 -9.523 -5.516 1.00 0.00 O ATOM 737 ND2 ASN A 625 20.151 -8.617 -3.551 1.00 0.00 N ATOM 0 H ASN A 625 17.133 -8.875 -5.963 1.00 0.00 H new ATOM 0 HA ASN A 625 17.474 -7.399 -3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 625 18.882 -7.193 -6.249 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.415 -6.421 -4.769 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.612 -9.472 -3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 625 20.114 -7.804 -2.936 1.00 0.00 H new ATOM 744 N ILE A 626 16.239 -5.777 -6.161 1.00 0.00 N ATOM 745 CA ILE A 626 15.488 -4.588 -6.526 1.00 0.00 C ATOM 746 C ILE A 626 14.200 -4.548 -5.710 1.00 0.00 C ATOM 747 O ILE A 626 13.850 -3.481 -5.235 1.00 0.00 O ATOM 748 CB ILE A 626 15.209 -4.544 -8.039 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.494 -4.679 -8.893 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.426 -3.282 -8.434 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.574 -3.619 -8.645 1.00 0.00 C ATOM 0 H ILE A 626 16.336 -6.457 -6.915 1.00 0.00 H new ATOM 0 HA ILE A 626 16.079 -3.701 -6.297 1.00 0.00 H new ATOM 0 HB ILE A 626 14.590 -5.415 -8.255 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.928 -5.662 -8.710 1.00 0.00 H new ATOM 0 HG13 ILE A 626 16.213 -4.645 -9.946 1.00 0.00 H new ATOM 0 HG21 ILE A 626 14.248 -3.286 -9.509 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.471 -3.267 -7.908 1.00 0.00 H new ATOM 0 HG23 ILE A 626 15.003 -2.397 -8.165 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.427 -3.810 -9.296 1.00 0.00 H new ATOM 0 HD12 ILE A 626 17.169 -2.630 -8.859 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.894 -3.663 -7.604 1.00 0.00 H new ATOM 763 N LEU A 627 13.531 -5.683 -5.485 1.00 0.00 N ATOM 764 CA LEU A 627 12.361 -5.773 -4.611 1.00 0.00 C ATOM 765 C LEU A 627 12.649 -5.231 -3.209 1.00 0.00 C ATOM 766 O LEU A 627 11.829 -4.483 -2.679 1.00 0.00 O ATOM 767 CB LEU A 627 11.846 -7.228 -4.591 1.00 0.00 C ATOM 768 CG LEU A 627 10.714 -7.513 -5.593 1.00 0.00 C ATOM 769 CD1 LEU A 627 9.422 -7.223 -4.842 1.00 0.00 C ATOM 770 CD2 LEU A 627 10.748 -6.757 -6.931 1.00 0.00 C ATOM 0 H LEU A 627 13.791 -6.573 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 627 11.571 -5.137 -5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.679 -7.899 -4.801 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.494 -7.463 -3.586 1.00 0.00 H new ATOM 0 HG LEU A 627 10.822 -8.547 -5.920 1.00 0.00 H new ATOM 0 HD11 LEU A 627 8.571 -7.406 -5.498 1.00 0.00 H new ATOM 0 HD12 LEU A 627 9.354 -7.873 -3.970 1.00 0.00 H new ATOM 0 HD13 LEU A 627 9.415 -6.182 -4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 627 9.893 -7.054 -7.538 1.00 0.00 H new ATOM 0 HD22 LEU A 627 10.705 -5.684 -6.744 1.00 0.00 H new ATOM 0 HD23 LEU A 627 11.670 -6.996 -7.461 1.00 0.00 H new ATOM 782 N ILE A 628 13.810 -5.551 -2.629 1.00 0.00 N ATOM 783 CA ILE A 628 14.249 -4.975 -1.357 1.00 0.00 C ATOM 784 C ILE A 628 14.425 -3.458 -1.520 1.00 0.00 C ATOM 785 O ILE A 628 13.762 -2.675 -0.828 1.00 0.00 O ATOM 786 CB ILE A 628 15.518 -5.701 -0.843 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.188 -7.169 -0.481 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.107 -4.982 0.382 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.423 -8.066 -0.344 1.00 0.00 C ATOM 0 H ILE A 628 14.471 -6.217 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 628 13.492 -5.125 -0.588 1.00 0.00 H new ATOM 0 HB ILE A 628 16.260 -5.687 -1.642 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.633 -7.186 0.457 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.533 -7.584 -1.247 1.00 0.00 H new ATOM 0 HG21 ILE A 628 16.996 -5.512 0.722 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.375 -3.961 0.111 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.368 -4.962 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 628 16.111 -9.079 -0.089 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.968 -8.081 -1.288 1.00 0.00 H new ATOM 0 HD13 ILE A 628 17.070 -7.677 0.443 1.00 0.00 H new ATOM 801 N THR A 629 15.311 -3.045 -2.432 1.00 0.00 N ATOM 802 CA THR A 629 15.659 -1.648 -2.664 1.00 0.00 C ATOM 803 C THR A 629 14.397 -0.803 -2.889 1.00 0.00 C ATOM 804 O THR A 629 14.197 0.192 -2.195 1.00 0.00 O ATOM 805 CB THR A 629 16.651 -1.588 -3.837 1.00 0.00 C ATOM 806 OG1 THR A 629 17.783 -2.389 -3.556 1.00 0.00 O ATOM 807 CG2 THR A 629 17.158 -0.178 -4.116 1.00 0.00 C ATOM 0 H THR A 629 15.815 -3.690 -3.040 1.00 0.00 H new ATOM 0 HA THR A 629 16.144 -1.218 -1.788 1.00 0.00 H new ATOM 0 HB THR A 629 16.105 -1.947 -4.709 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.594 -3.319 -3.798 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.854 -0.201 -4.954 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.316 0.470 -4.361 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.667 0.207 -3.232 1.00 0.00 H new ATOM 815 N GLU A 630 13.518 -1.229 -3.797 1.00 0.00 N ATOM 816 CA GLU A 630 12.243 -0.596 -4.088 1.00 0.00 C ATOM 817 C GLU A 630 11.375 -0.552 -2.842 1.00 0.00 C ATOM 818 O GLU A 630 10.821 0.496 -2.549 1.00 0.00 O ATOM 819 CB GLU A 630 11.505 -1.332 -5.216 1.00 0.00 C ATOM 820 CG GLU A 630 12.086 -1.046 -6.608 1.00 0.00 C ATOM 821 CD GLU A 630 11.579 0.271 -7.210 1.00 0.00 C ATOM 822 OE1 GLU A 630 11.549 1.286 -6.485 1.00 0.00 O ATOM 823 OE2 GLU A 630 11.220 0.243 -8.411 1.00 0.00 O ATOM 0 H GLU A 630 13.687 -2.057 -4.369 1.00 0.00 H new ATOM 0 HA GLU A 630 12.444 0.424 -4.417 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.544 -2.405 -5.027 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.454 -1.044 -5.202 1.00 0.00 H new ATOM 0 HG2 GLU A 630 13.174 -1.014 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.831 -1.867 -7.278 1.00 0.00 H new ATOM 830 N MET A 631 11.261 -1.629 -2.059 1.00 0.00 N ATOM 831 CA MET A 631 10.456 -1.565 -0.844 1.00 0.00 C ATOM 832 C MET A 631 10.971 -0.487 0.127 1.00 0.00 C ATOM 833 O MET A 631 10.146 0.207 0.733 1.00 0.00 O ATOM 834 CB MET A 631 10.436 -2.920 -0.139 1.00 0.00 C ATOM 835 CG MET A 631 9.406 -3.893 -0.707 1.00 0.00 C ATOM 836 SD MET A 631 7.685 -3.508 -0.277 1.00 0.00 S ATOM 837 CE MET A 631 7.623 -4.188 1.390 1.00 0.00 C ATOM 0 H MET A 631 11.704 -2.530 -2.240 1.00 0.00 H new ATOM 0 HA MET A 631 9.443 -1.297 -1.145 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.426 -3.371 -0.210 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.231 -2.765 0.920 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.501 -3.909 -1.793 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.640 -4.897 -0.352 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.657 -3.959 1.841 1.00 0.00 H new ATOM 0 HE2 MET A 631 7.756 -5.269 1.347 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.418 -3.748 1.992 1.00 0.00 H new ATOM 847 N MET A 632 12.297 -0.300 0.270 1.00 0.00 N ATOM 848 CA MET A 632 12.803 0.754 1.168 1.00 0.00 C ATOM 849 C MET A 632 12.561 2.134 0.560 1.00 0.00 C ATOM 850 O MET A 632 12.419 3.111 1.288 1.00 0.00 O ATOM 851 CB MET A 632 14.305 0.613 1.519 1.00 0.00 C ATOM 852 CG MET A 632 15.001 -0.667 1.048 1.00 0.00 C ATOM 853 SD MET A 632 16.780 -0.774 1.367 1.00 0.00 S ATOM 854 CE MET A 632 16.744 -0.848 3.168 1.00 0.00 C ATOM 0 H MET A 632 13.016 -0.845 -0.207 1.00 0.00 H new ATOM 0 HA MET A 632 12.246 0.638 2.098 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.836 1.465 1.095 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.410 0.679 2.602 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.515 -1.517 1.527 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.839 -0.770 -0.025 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.644 -1.346 3.530 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.701 0.163 3.573 1.00 0.00 H new ATOM 0 HE3 MET A 632 15.865 -1.406 3.492 1.00 0.00 H new ATOM 864 N ASP A 633 12.506 2.214 -0.766 1.00 0.00 N ATOM 865 CA ASP A 633 12.447 3.457 -1.509 1.00 0.00 C ATOM 866 C ASP A 633 11.012 3.960 -1.613 1.00 0.00 C ATOM 867 O ASP A 633 10.724 5.145 -1.463 1.00 0.00 O ATOM 868 CB ASP A 633 13.008 3.142 -2.893 1.00 0.00 C ATOM 869 CG ASP A 633 13.044 4.390 -3.771 1.00 0.00 C ATOM 870 OD1 ASP A 633 13.961 5.216 -3.571 1.00 0.00 O ATOM 871 OD2 ASP A 633 12.124 4.513 -4.614 1.00 0.00 O ATOM 0 H ASP A 633 12.501 1.389 -1.366 1.00 0.00 H new ATOM 0 HA ASP A 633 13.018 4.243 -1.014 1.00 0.00 H new ATOM 0 HB2 ASP A 633 14.014 2.733 -2.796 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.397 2.376 -3.370 1.00 0.00 H new ATOM 876 N ARG A 634 10.107 3.018 -1.863 1.00 0.00 N ATOM 877 CA ARG A 634 8.726 3.247 -2.244 1.00 0.00 C ATOM 878 C ARG A 634 7.827 3.133 -1.018 1.00 0.00 C ATOM 879 O ARG A 634 6.789 3.793 -0.981 1.00 0.00 O ATOM 880 CB ARG A 634 8.348 2.193 -3.303 1.00 0.00 C ATOM 881 CG ARG A 634 9.244 2.214 -4.564 1.00 0.00 C ATOM 882 CD ARG A 634 8.669 2.893 -5.807 1.00 0.00 C ATOM 883 NE ARG A 634 8.032 4.193 -5.541 1.00 0.00 N ATOM 884 CZ ARG A 634 8.610 5.404 -5.545 1.00 0.00 C ATOM 885 NH1 ARG A 634 9.930 5.584 -5.540 1.00 0.00 N ATOM 886 NH2 ARG A 634 7.825 6.482 -5.556 1.00 0.00 N ATOM 0 H ARG A 634 10.334 2.025 -1.801 1.00 0.00 H new ATOM 0 HA ARG A 634 8.598 4.247 -2.658 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.401 1.203 -2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.312 2.351 -3.604 1.00 0.00 H new ATOM 0 HG2 ARG A 634 10.180 2.711 -4.308 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.490 1.184 -4.823 1.00 0.00 H new ATOM 0 HD2 ARG A 634 9.469 3.034 -6.534 1.00 0.00 H new ATOM 0 HD3 ARG A 634 7.936 2.228 -6.265 1.00 0.00 H new ATOM 0 HE ARG A 634 7.035 4.171 -5.329 1.00 0.00 H new ATOM 0 HH11 ARG A 634 10.555 4.778 -5.533 1.00 0.00 H new ATOM 0 HH12 ARG A 634 10.316 6.528 -5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 634 6.811 6.374 -5.561 1.00 0.00 H new ATOM 0 HH22 ARG A 634 8.239 7.414 -5.559 1.00 0.00 H new ATOM 900 N TYR A 635 8.221 2.322 -0.021 1.00 0.00 N ATOM 901 CA TYR A 635 7.394 2.020 1.141 1.00 0.00 C ATOM 902 C TYR A 635 8.160 2.115 2.472 1.00 0.00 C ATOM 903 O TYR A 635 7.567 1.860 3.519 1.00 0.00 O ATOM 904 CB TYR A 635 6.747 0.641 0.936 1.00 0.00 C ATOM 905 CG TYR A 635 5.876 0.516 -0.311 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.718 1.306 -0.456 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.227 -0.386 -1.334 1.00 0.00 C ATOM 908 CE1 TYR A 635 3.921 1.195 -1.611 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.424 -0.519 -2.481 1.00 0.00 C ATOM 910 CZ TYR A 635 4.265 0.275 -2.628 1.00 0.00 C ATOM 911 OH TYR A 635 3.475 0.160 -3.734 1.00 0.00 O ATOM 0 H TYR A 635 9.130 1.859 -0.007 1.00 0.00 H new ATOM 0 HA TYR A 635 6.616 2.779 1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.536 -0.110 0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.139 0.408 1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.441 2.000 0.323 1.00 0.00 H new ATOM 0 HD2 TYR A 635 7.122 -0.982 -1.237 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.043 1.815 -1.721 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.694 -1.228 -3.250 1.00 0.00 H new ATOM 0 HH TYR A 635 3.852 -0.515 -4.336 1.00 0.00 H new ATOM 921 N ASN A 636 9.442 2.521 2.457 1.00 0.00 N ATOM 922 CA ASN A 636 10.279 2.747 3.645 1.00 0.00 C ATOM 923 C ASN A 636 10.405 1.492 4.532 1.00 0.00 C ATOM 924 O ASN A 636 10.511 1.590 5.757 1.00 0.00 O ATOM 925 CB ASN A 636 9.773 3.994 4.394 1.00 0.00 C ATOM 926 CG ASN A 636 10.826 4.720 5.238 1.00 0.00 C ATOM 927 OD1 ASN A 636 11.040 5.915 5.079 1.00 0.00 O ATOM 928 ND2 ASN A 636 11.491 4.043 6.161 1.00 0.00 N ATOM 0 H ASN A 636 9.940 2.707 1.586 1.00 0.00 H new ATOM 0 HA ASN A 636 11.302 2.945 3.327 1.00 0.00 H new ATOM 0 HB2 ASN A 636 9.367 4.696 3.666 1.00 0.00 H new ATOM 0 HB3 ASN A 636 8.950 3.698 5.044 1.00 0.00 H new ATOM 0 HD21 ASN A 636 12.183 4.517 6.741 1.00 0.00 H new ATOM 0 HD22 ASN A 636 11.311 3.048 6.292 1.00 0.00 H new ATOM 935 N VAL A 637 10.401 0.298 3.935 1.00 0.00 N ATOM 936 CA VAL A 637 10.565 -0.951 4.675 1.00 0.00 C ATOM 937 C VAL A 637 12.051 -1.335 4.656 1.00 0.00 C ATOM 938 O VAL A 637 12.642 -1.470 3.586 1.00 0.00 O ATOM 939 CB VAL A 637 9.634 -2.031 4.092 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.690 -3.311 4.931 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.168 -1.565 4.064 1.00 0.00 C ATOM 0 H VAL A 637 10.284 0.172 2.930 1.00 0.00 H new ATOM 0 HA VAL A 637 10.272 -0.839 5.719 1.00 0.00 H new ATOM 0 HB VAL A 637 9.983 -2.219 3.077 1.00 0.00 H new ATOM 0 HG11 VAL A 637 9.024 -4.058 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.710 -3.696 4.940 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.376 -3.091 5.951 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.543 -2.354 3.646 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.838 -1.340 5.078 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.082 -0.670 3.448 1.00 0.00 H new ATOM 951 N SER A 638 12.667 -1.483 5.837 1.00 0.00 N ATOM 952 CA SER A 638 14.062 -1.867 6.004 1.00 0.00 C ATOM 953 C SER A 638 14.288 -3.276 5.463 1.00 0.00 C ATOM 954 O SER A 638 13.385 -4.107 5.534 1.00 0.00 O ATOM 955 CB SER A 638 14.415 -1.839 7.498 1.00 0.00 C ATOM 956 OG SER A 638 13.934 -0.658 8.110 1.00 0.00 O ATOM 0 H SER A 638 12.188 -1.333 6.725 1.00 0.00 H new ATOM 0 HA SER A 638 14.694 -1.168 5.455 1.00 0.00 H new ATOM 0 HB2 SER A 638 13.986 -2.710 7.993 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.496 -1.902 7.621 1.00 0.00 H new ATOM 0 HG SER A 638 14.169 -0.663 9.061 1.00 0.00 H new ATOM 962 N GLU A 639 15.506 -3.583 5.010 1.00 0.00 N ATOM 963 CA GLU A 639 15.844 -4.841 4.344 1.00 0.00 C ATOM 964 C GLU A 639 15.495 -6.068 5.195 1.00 0.00 C ATOM 965 O GLU A 639 15.009 -7.055 4.655 1.00 0.00 O ATOM 966 CB GLU A 639 17.330 -4.785 3.956 1.00 0.00 C ATOM 967 CG GLU A 639 17.898 -6.119 3.450 1.00 0.00 C ATOM 968 CD GLU A 639 19.296 -5.930 2.856 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.216 -5.627 3.649 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.424 -6.071 1.619 1.00 0.00 O ATOM 0 H GLU A 639 16.301 -2.950 5.098 1.00 0.00 H new ATOM 0 HA GLU A 639 15.240 -4.955 3.444 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.464 -4.029 3.182 1.00 0.00 H new ATOM 0 HB3 GLU A 639 17.908 -4.461 4.821 1.00 0.00 H new ATOM 0 HG2 GLU A 639 17.942 -6.835 4.271 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.232 -6.539 2.696 1.00 0.00 H new ATOM 977 N GLU A 640 15.637 -5.966 6.521 1.00 0.00 N ATOM 978 CA GLU A 640 15.211 -6.966 7.507 1.00 0.00 C ATOM 979 C GLU A 640 13.734 -7.314 7.291 1.00 0.00 C ATOM 980 O GLU A 640 13.323 -8.471 7.188 1.00 0.00 O ATOM 981 CB GLU A 640 15.425 -6.330 8.901 1.00 0.00 C ATOM 982 CG GLU A 640 14.790 -7.057 10.104 1.00 0.00 C ATOM 983 CD GLU A 640 14.348 -6.056 11.181 1.00 0.00 C ATOM 984 OE1 GLU A 640 13.260 -5.458 11.007 1.00 0.00 O ATOM 985 OE2 GLU A 640 15.103 -5.874 12.160 1.00 0.00 O ATOM 0 H GLU A 640 16.070 -5.151 6.955 1.00 0.00 H new ATOM 0 HA GLU A 640 15.782 -7.890 7.413 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.498 -6.254 9.078 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.033 -5.313 8.874 1.00 0.00 H new ATOM 0 HG2 GLU A 640 13.932 -7.640 9.770 1.00 0.00 H new ATOM 0 HG3 GLU A 640 15.507 -7.760 10.528 1.00 0.00 H new ATOM 992 N LYS A 641 12.940 -6.250 7.252 1.00 0.00 N ATOM 993 CA LYS A 641 11.497 -6.247 7.306 1.00 0.00 C ATOM 994 C LYS A 641 10.879 -6.449 5.931 1.00 0.00 C ATOM 995 O LYS A 641 9.689 -6.718 5.839 1.00 0.00 O ATOM 996 CB LYS A 641 11.105 -4.906 7.922 1.00 0.00 C ATOM 997 CG LYS A 641 9.678 -4.933 8.480 1.00 0.00 C ATOM 998 CD LYS A 641 9.574 -4.015 9.696 1.00 0.00 C ATOM 999 CE LYS A 641 10.322 -4.660 10.872 1.00 0.00 C ATOM 1000 NZ LYS A 641 10.188 -3.922 12.140 1.00 0.00 N ATOM 0 H LYS A 641 13.321 -5.307 7.177 1.00 0.00 H new ATOM 0 HA LYS A 641 11.122 -7.076 7.906 1.00 0.00 H new ATOM 0 HB2 LYS A 641 11.803 -4.655 8.720 1.00 0.00 H new ATOM 0 HB3 LYS A 641 11.186 -4.122 7.169 1.00 0.00 H new ATOM 0 HG2 LYS A 641 8.973 -4.614 7.712 1.00 0.00 H new ATOM 0 HG3 LYS A 641 9.407 -5.951 8.759 1.00 0.00 H new ATOM 0 HD2 LYS A 641 10.001 -3.038 9.468 1.00 0.00 H new ATOM 0 HD3 LYS A 641 8.528 -3.853 9.958 1.00 0.00 H new ATOM 0 HE2 LYS A 641 9.951 -5.675 11.013 1.00 0.00 H new ATOM 0 HE3 LYS A 641 11.379 -4.739 10.618 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 10.718 -4.415 12.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 10.567 -2.961 12.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 9.184 -3.868 12.406 1.00 0.00 H new ATOM 1014 N VAL A 642 11.678 -6.328 4.869 1.00 0.00 N ATOM 1015 CA VAL A 642 11.365 -6.893 3.564 1.00 0.00 C ATOM 1016 C VAL A 642 11.725 -8.369 3.525 1.00 0.00 C ATOM 1017 O VAL A 642 10.873 -9.143 3.102 1.00 0.00 O ATOM 1018 CB VAL A 642 12.041 -6.144 2.396 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.397 -6.603 1.081 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.883 -4.625 2.464 1.00 0.00 C ATOM 0 H VAL A 642 12.568 -5.830 4.896 1.00 0.00 H new ATOM 0 HA VAL A 642 10.290 -6.775 3.427 1.00 0.00 H new ATOM 0 HB VAL A 642 13.104 -6.376 2.458 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.865 -6.082 0.246 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.537 -7.677 0.963 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.331 -6.376 1.099 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.384 -4.169 1.610 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.824 -4.368 2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.328 -4.254 3.387 1.00 0.00 H new ATOM 1030 N GLU A 643 12.928 -8.778 3.949 1.00 0.00 N ATOM 1031 CA GLU A 643 13.378 -10.167 3.865 1.00 0.00 C ATOM 1032 C GLU A 643 12.380 -11.119 4.513 1.00 0.00 C ATOM 1033 O GLU A 643 12.125 -12.196 3.969 1.00 0.00 O ATOM 1034 CB GLU A 643 14.780 -10.335 4.477 1.00 0.00 C ATOM 1035 CG GLU A 643 15.888 -10.172 3.427 1.00 0.00 C ATOM 1036 CD GLU A 643 15.928 -11.380 2.484 1.00 0.00 C ATOM 1037 OE1 GLU A 643 16.592 -12.377 2.848 1.00 0.00 O ATOM 1038 OE2 GLU A 643 15.258 -11.311 1.430 1.00 0.00 O ATOM 0 H GLU A 643 13.617 -8.149 4.361 1.00 0.00 H new ATOM 0 HA GLU A 643 13.440 -10.426 2.808 1.00 0.00 H new ATOM 0 HB2 GLU A 643 14.920 -9.600 5.269 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.859 -11.320 4.938 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.719 -9.262 2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.852 -10.061 3.924 1.00 0.00 H new ATOM 1045 N GLU A 644 11.750 -10.707 5.621 1.00 0.00 N ATOM 1046 CA GLU A 644 10.689 -11.501 6.217 1.00 0.00 C ATOM 1047 C GLU A 644 9.559 -11.741 5.206 1.00 0.00 C ATOM 1048 O GLU A 644 9.109 -12.872 5.038 1.00 0.00 O ATOM 1049 CB GLU A 644 10.208 -10.910 7.553 1.00 0.00 C ATOM 1050 CG GLU A 644 9.048 -9.923 7.408 1.00 0.00 C ATOM 1051 CD GLU A 644 8.542 -9.372 8.743 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.270 -8.552 9.346 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.417 -9.764 9.131 1.00 0.00 O ATOM 0 H GLU A 644 11.959 -9.838 6.112 1.00 0.00 H new ATOM 0 HA GLU A 644 11.092 -12.481 6.470 1.00 0.00 H new ATOM 0 HB2 GLU A 644 9.901 -11.724 8.210 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.044 -10.406 8.039 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.366 -9.092 6.778 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.224 -10.417 6.893 1.00 0.00 H new ATOM 1060 N LEU A 645 9.125 -10.690 4.500 1.00 0.00 N ATOM 1061 CA LEU A 645 8.007 -10.721 3.567 1.00 0.00 C ATOM 1062 C LEU A 645 8.352 -11.705 2.470 1.00 0.00 C ATOM 1063 O LEU A 645 7.533 -12.552 2.107 1.00 0.00 O ATOM 1064 CB LEU A 645 7.665 -9.334 2.994 1.00 0.00 C ATOM 1065 CG LEU A 645 7.452 -8.269 4.081 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.398 -6.879 3.450 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.196 -8.489 4.928 1.00 0.00 C ATOM 0 H LEU A 645 9.559 -9.770 4.569 1.00 0.00 H new ATOM 0 HA LEU A 645 7.109 -11.037 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.469 -9.013 2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.763 -9.411 2.387 1.00 0.00 H new ATOM 0 HG LEU A 645 8.304 -8.356 4.755 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.247 -6.132 4.229 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.335 -6.678 2.931 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.573 -6.834 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.116 -7.697 5.672 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.316 -8.473 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.261 -9.454 5.431 1.00 0.00 H new ATOM 1079 N ILE A 646 9.596 -11.619 1.993 1.00 0.00 N ATOM 1080 CA ILE A 646 10.048 -12.492 0.930 1.00 0.00 C ATOM 1081 C ILE A 646 10.013 -13.935 1.423 1.00 0.00 C ATOM 1082 O ILE A 646 9.510 -14.791 0.693 1.00 0.00 O ATOM 1083 CB ILE A 646 11.429 -12.103 0.342 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.638 -10.577 0.290 1.00 0.00 C ATOM 1085 CG2 ILE A 646 11.477 -12.694 -1.070 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.744 -10.047 -0.624 1.00 0.00 C ATOM 0 H ILE A 646 10.296 -10.957 2.328 1.00 0.00 H new ATOM 0 HA ILE A 646 9.361 -12.378 0.091 1.00 0.00 H new ATOM 0 HB ILE A 646 12.225 -12.492 0.976 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.698 -10.119 -0.019 1.00 0.00 H new ATOM 0 HG13 ILE A 646 11.844 -10.231 1.303 1.00 0.00 H new ATOM 0 HG21 ILE A 646 12.432 -12.450 -1.534 1.00 0.00 H new ATOM 0 HG22 ILE A 646 11.366 -13.777 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 646 10.666 -12.276 -1.667 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.778 -8.959 -0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.703 -10.459 -0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 646 12.540 -10.345 -1.652 1.00 0.00 H new ATOM 1098 N ARG A 647 10.478 -14.234 2.647 1.00 0.00 N ATOM 1099 CA ARG A 647 10.506 -15.647 3.036 1.00 0.00 C ATOM 1100 C ARG A 647 9.088 -16.138 3.303 1.00 0.00 C ATOM 1101 O ARG A 647 8.755 -17.236 2.874 1.00 0.00 O ATOM 1102 CB ARG A 647 11.469 -15.959 4.193 1.00 0.00 C ATOM 1103 CG ARG A 647 11.180 -15.227 5.508 1.00 0.00 C ATOM 1104 CD ARG A 647 12.094 -15.660 6.658 1.00 0.00 C ATOM 1105 NE ARG A 647 11.793 -17.033 7.103 1.00 0.00 N ATOM 1106 CZ ARG A 647 12.044 -17.555 8.312 1.00 0.00 C ATOM 1107 NH1 ARG A 647 12.656 -16.834 9.253 1.00 0.00 N ATOM 1108 NH2 ARG A 647 11.677 -18.809 8.579 1.00 0.00 N ATOM 0 H ARG A 647 10.817 -13.567 3.340 1.00 0.00 H new ATOM 0 HA ARG A 647 10.916 -16.205 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.446 -17.032 4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.482 -15.713 3.876 1.00 0.00 H new ATOM 0 HG2 ARG A 647 11.290 -14.154 5.350 1.00 0.00 H new ATOM 0 HG3 ARG A 647 10.142 -15.402 5.792 1.00 0.00 H new ATOM 0 HD2 ARG A 647 13.135 -15.600 6.339 1.00 0.00 H new ATOM 0 HD3 ARG A 647 11.977 -14.972 7.495 1.00 0.00 H new ATOM 0 HE ARG A 647 11.349 -17.648 6.422 1.00 0.00 H new ATOM 0 HH11 ARG A 647 12.939 -15.874 9.057 1.00 0.00 H new ATOM 0 HH12 ARG A 647 12.841 -17.243 10.169 1.00 0.00 H new ATOM 0 HH21 ARG A 647 11.208 -19.366 7.865 1.00 0.00 H new ATOM 0 HH22 ARG A 647 11.866 -19.211 9.497 1.00 0.00 H new ATOM 1122 N ILE A 648 8.239 -15.329 3.944 1.00 0.00 N ATOM 1123 CA ILE A 648 6.870 -15.695 4.284 1.00 0.00 C ATOM 1124 C ILE A 648 6.127 -16.047 2.999 1.00 0.00 C ATOM 1125 O ILE A 648 5.628 -17.165 2.880 1.00 0.00 O ATOM 1126 CB ILE A 648 6.207 -14.550 5.080 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.893 -14.414 6.465 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.700 -14.753 5.294 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.688 -13.051 7.127 1.00 0.00 C ATOM 0 H ILE A 648 8.492 -14.388 4.244 1.00 0.00 H new ATOM 0 HA ILE A 648 6.844 -16.573 4.929 1.00 0.00 H new ATOM 0 HB ILE A 648 6.333 -13.645 4.485 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.509 -15.190 7.127 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.962 -14.594 6.349 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.296 -13.913 5.860 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.200 -14.813 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.532 -15.677 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.197 -13.034 8.091 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.098 -12.270 6.486 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.623 -12.876 7.277 1.00 0.00 H new ATOM 1141 N LEU A 649 6.052 -15.133 2.021 1.00 0.00 N ATOM 1142 CA LEU A 649 5.283 -15.425 0.821 1.00 0.00 C ATOM 1143 C LEU A 649 5.883 -16.590 0.006 1.00 0.00 C ATOM 1144 O LEU A 649 5.155 -17.254 -0.736 1.00 0.00 O ATOM 1145 CB LEU A 649 5.077 -14.169 -0.040 1.00 0.00 C ATOM 1146 CG LEU A 649 4.035 -13.187 0.521 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.627 -12.167 1.491 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.360 -12.435 -0.636 1.00 0.00 C ATOM 0 H LEU A 649 6.501 -14.217 2.041 1.00 0.00 H new ATOM 0 HA LEU A 649 4.299 -15.756 1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 649 6.031 -13.651 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.771 -14.474 -1.041 1.00 0.00 H new ATOM 0 HG LEU A 649 3.314 -13.785 1.078 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.838 -11.505 1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 649 5.076 -12.687 2.337 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.390 -11.579 0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.622 -11.740 -0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.112 -11.882 -1.199 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.866 -13.149 -1.295 1.00 0.00 H new ATOM 1160 N LYS A 650 7.185 -16.858 0.161 1.00 0.00 N ATOM 1161 CA LYS A 650 7.873 -17.992 -0.481 1.00 0.00 C ATOM 1162 C LYS A 650 7.422 -19.296 0.158 1.00 0.00 C ATOM 1163 O LYS A 650 7.120 -20.272 -0.521 1.00 0.00 O ATOM 1164 CB LYS A 650 9.417 -17.870 -0.435 1.00 0.00 C ATOM 1165 CG LYS A 650 9.972 -16.918 -1.506 1.00 0.00 C ATOM 1166 CD LYS A 650 11.445 -16.520 -1.354 1.00 0.00 C ATOM 1167 CE LYS A 650 12.457 -17.627 -1.658 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.422 -17.839 -0.563 1.00 0.00 N ATOM 0 H LYS A 650 7.800 -16.289 0.742 1.00 0.00 H new ATOM 0 HA LYS A 650 7.596 -17.981 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.720 -17.516 0.551 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.859 -18.857 -0.569 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.841 -17.385 -2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.369 -16.010 -1.504 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.646 -15.676 -2.014 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.607 -16.173 -0.334 1.00 0.00 H new ATOM 0 HE2 LYS A 650 11.923 -18.558 -1.850 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.999 -17.376 -2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.082 -18.599 -0.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.954 -16.961 -0.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 12.911 -18.106 0.303 1.00 0.00 H new ATOM 1182 N ASP A 651 7.352 -19.268 1.480 1.00 0.00 N ATOM 1183 CA ASP A 651 7.014 -20.383 2.365 1.00 0.00 C ATOM 1184 C ASP A 651 5.559 -20.787 2.169 1.00 0.00 C ATOM 1185 O ASP A 651 5.220 -21.966 2.116 1.00 0.00 O ATOM 1186 CB ASP A 651 7.247 -19.946 3.814 1.00 0.00 C ATOM 1187 CG ASP A 651 7.187 -21.113 4.792 1.00 0.00 C ATOM 1188 OD1 ASP A 651 8.173 -21.882 4.812 1.00 0.00 O ATOM 1189 OD2 ASP A 651 6.184 -21.184 5.535 1.00 0.00 O ATOM 0 H ASP A 651 7.541 -18.412 2.002 1.00 0.00 H new ATOM 0 HA ASP A 651 7.643 -21.242 2.131 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.220 -19.461 3.892 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.498 -19.205 4.092 1.00 0.00 H new ATOM 1194 N LYS A 652 4.708 -19.778 1.967 1.00 0.00 N ATOM 1195 CA LYS A 652 3.306 -19.936 1.596 1.00 0.00 C ATOM 1196 C LYS A 652 3.135 -20.546 0.205 1.00 0.00 C ATOM 1197 O LYS A 652 2.018 -20.937 -0.128 1.00 0.00 O ATOM 1198 CB LYS A 652 2.648 -18.551 1.619 1.00 0.00 C ATOM 1199 CG LYS A 652 2.352 -18.077 3.048 1.00 0.00 C ATOM 1200 CD LYS A 652 2.481 -16.554 3.170 1.00 0.00 C ATOM 1201 CE LYS A 652 1.424 -15.924 4.085 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.496 -16.467 5.462 1.00 0.00 N ATOM 0 H LYS A 652 4.987 -18.801 2.061 1.00 0.00 H new ATOM 0 HA LYS A 652 2.839 -20.617 2.308 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.302 -17.831 1.127 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.720 -18.581 1.048 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.345 -18.382 3.333 1.00 0.00 H new ATOM 0 HG3 LYS A 652 3.040 -18.559 3.743 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.473 -16.310 3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.403 -16.110 2.178 1.00 0.00 H new ATOM 0 HE2 LYS A 652 1.564 -14.843 4.112 1.00 0.00 H new ATOM 0 HE3 LYS A 652 0.431 -16.106 3.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 0.778 -16.005 6.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 1.321 -17.492 5.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 2.440 -16.286 5.858 1.00 0.00 H new ATOM 1216 N GLY A 653 4.187 -20.567 -0.624 1.00 0.00 N ATOM 1217 CA GLY A 653 4.049 -20.867 -2.041 1.00 0.00 C ATOM 1218 C GLY A 653 3.157 -19.844 -2.748 1.00 0.00 C ATOM 1219 O GLY A 653 2.525 -20.180 -3.747 1.00 0.00 O ATOM 0 H GLY A 653 5.145 -20.378 -0.328 1.00 0.00 H new ATOM 0 HA2 GLY A 653 5.033 -20.878 -2.509 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.627 -21.865 -2.163 1.00 0.00 H new ATOM 1223 N ALA A 654 3.080 -18.610 -2.227 1.00 0.00 N ATOM 1224 CA ALA A 654 2.476 -17.492 -2.940 1.00 0.00 C ATOM 1225 C ALA A 654 3.476 -16.955 -3.964 1.00 0.00 C ATOM 1226 O ALA A 654 3.097 -16.608 -5.086 1.00 0.00 O ATOM 1227 CB ALA A 654 2.074 -16.400 -1.944 1.00 0.00 C ATOM 0 H ALA A 654 3.436 -18.367 -1.302 1.00 0.00 H new ATOM 0 HA ALA A 654 1.579 -17.823 -3.463 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.623 -15.566 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.355 -16.804 -1.231 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.958 -16.052 -1.410 1.00 0.00 H new ATOM 1233 N ILE A 655 4.758 -16.915 -3.593 1.00 0.00 N ATOM 1234 CA ILE A 655 5.848 -16.567 -4.492 1.00 0.00 C ATOM 1235 C ILE A 655 6.924 -17.635 -4.373 1.00 0.00 C ATOM 1236 O ILE A 655 6.786 -18.600 -3.619 1.00 0.00 O ATOM 1237 CB ILE A 655 6.380 -15.142 -4.226 1.00 0.00 C ATOM 1238 CG1 ILE A 655 7.082 -15.058 -2.865 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.224 -14.145 -4.335 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.819 -13.748 -2.592 1.00 0.00 C ATOM 0 H ILE A 655 5.067 -17.128 -2.644 1.00 0.00 H new ATOM 0 HA ILE A 655 5.489 -16.545 -5.521 1.00 0.00 H new ATOM 0 HB ILE A 655 7.129 -14.889 -4.977 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.339 -15.208 -2.081 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.795 -15.879 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.594 -13.137 -4.148 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.794 -14.194 -5.336 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.459 -14.393 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.281 -13.789 -1.606 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.590 -13.600 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 655 7.112 -12.919 -2.628 1.00 0.00 H new ATOM 1252 N PHE A 656 7.993 -17.467 -5.139 1.00 0.00 N ATOM 1253 CA PHE A 656 9.117 -18.372 -5.169 1.00 0.00 C ATOM 1254 C PHE A 656 10.318 -17.639 -5.722 1.00 0.00 C ATOM 1255 O PHE A 656 10.194 -16.493 -6.146 1.00 0.00 O ATOM 1256 CB PHE A 656 8.767 -19.559 -6.055 1.00 0.00 C ATOM 1257 CG PHE A 656 9.348 -20.849 -5.523 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.845 -21.401 -4.330 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.446 -21.447 -6.166 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.440 -22.554 -3.784 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.041 -22.600 -5.621 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.538 -23.153 -4.429 1.00 0.00 C ATOM 0 H PHE A 656 8.098 -16.674 -5.771 1.00 0.00 H new ATOM 0 HA PHE A 656 9.349 -18.731 -4.166 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.683 -19.651 -6.127 1.00 0.00 H new ATOM 0 HB3 PHE A 656 9.140 -19.382 -7.064 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.003 -20.940 -3.834 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.833 -21.021 -7.080 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.054 -22.979 -2.870 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.883 -23.060 -6.117 1.00 0.00 H new ATOM 0 HZ PHE A 656 10.995 -24.037 -4.009 1.00 0.00 H new ATOM 1272 N GLU A 657 11.457 -18.326 -5.770 1.00 0.00 N ATOM 1273 CA GLU A 657 12.702 -17.786 -6.284 1.00 0.00 C ATOM 1274 C GLU A 657 13.277 -18.781 -7.301 1.00 0.00 C ATOM 1275 O GLU A 657 14.169 -19.557 -6.960 1.00 0.00 O ATOM 1276 CB GLU A 657 13.579 -17.430 -5.082 1.00 0.00 C ATOM 1277 CG GLU A 657 14.843 -16.615 -5.363 1.00 0.00 C ATOM 1278 CD GLU A 657 15.121 -15.649 -4.202 1.00 0.00 C ATOM 1279 OE1 GLU A 657 15.013 -16.100 -3.032 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.360 -14.453 -4.502 1.00 0.00 O ATOM 0 H GLU A 657 11.536 -19.290 -5.446 1.00 0.00 H new ATOM 0 HA GLU A 657 12.596 -16.858 -6.846 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.969 -16.874 -4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.876 -18.357 -4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.693 -17.284 -5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.725 -16.055 -6.291 1.00 0.00 H new ATOM 1287 N PRO A 658 12.729 -18.827 -8.536 1.00 0.00 N ATOM 1288 CA PRO A 658 13.137 -19.774 -9.577 1.00 0.00 C ATOM 1289 C PRO A 658 14.602 -19.644 -10.006 1.00 0.00 C ATOM 1290 O PRO A 658 15.168 -20.603 -10.529 1.00 0.00 O ATOM 1291 CB PRO A 658 12.225 -19.510 -10.775 1.00 0.00 C ATOM 1292 CG PRO A 658 11.718 -18.101 -10.531 1.00 0.00 C ATOM 1293 CD PRO A 658 11.581 -18.071 -9.017 1.00 0.00 C ATOM 0 HA PRO A 658 13.046 -20.786 -9.182 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.769 -19.583 -11.717 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.407 -20.228 -10.822 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.418 -17.347 -10.892 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.767 -17.918 -11.030 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.590 -17.049 -8.637 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.643 -18.523 -8.694 1.00 0.00 H new ATOM 1301 N ALA A 659 15.211 -18.472 -9.808 1.00 0.00 N ATOM 1302 CA ALA A 659 16.630 -18.255 -10.035 1.00 0.00 C ATOM 1303 C ALA A 659 17.198 -17.372 -8.930 1.00 0.00 C ATOM 1304 O ALA A 659 16.460 -16.791 -8.140 1.00 0.00 O ATOM 1305 CB ALA A 659 16.881 -17.648 -11.423 1.00 0.00 C ATOM 0 H ALA A 659 14.720 -17.640 -9.481 1.00 0.00 H new ATOM 0 HA ALA A 659 17.143 -19.216 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 659 17.951 -17.496 -11.566 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.505 -18.325 -12.190 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.365 -16.691 -11.500 1.00 0.00 H new ATOM 1311 N ARG A 660 18.529 -17.264 -8.930 1.00 0.00 N ATOM 1312 CA ARG A 660 19.403 -16.806 -7.847 1.00 0.00 C ATOM 1313 C ARG A 660 18.850 -15.621 -7.074 1.00 0.00 C ATOM 1314 O ARG A 660 18.854 -15.640 -5.849 1.00 0.00 O ATOM 1315 CB ARG A 660 20.774 -16.420 -8.422 1.00 0.00 C ATOM 1316 CG ARG A 660 21.461 -17.527 -9.228 1.00 0.00 C ATOM 1317 CD ARG A 660 22.390 -18.420 -8.388 1.00 0.00 C ATOM 1318 NE ARG A 660 21.684 -19.084 -7.276 1.00 0.00 N ATOM 1319 CZ ARG A 660 20.862 -20.142 -7.355 1.00 0.00 C ATOM 1320 NH1 ARG A 660 20.697 -20.795 -8.506 1.00 0.00 N ATOM 1321 NH2 ARG A 660 20.190 -20.535 -6.273 1.00 0.00 N ATOM 0 H ARG A 660 19.069 -17.516 -9.758 1.00 0.00 H new ATOM 0 HA ARG A 660 19.482 -17.638 -7.147 1.00 0.00 H new ATOM 0 HB2 ARG A 660 20.652 -15.545 -9.061 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.428 -16.127 -7.601 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.698 -18.150 -9.696 1.00 0.00 H new ATOM 0 HG3 ARG A 660 22.039 -17.073 -10.033 1.00 0.00 H new ATOM 0 HD2 ARG A 660 22.840 -19.176 -9.031 1.00 0.00 H new ATOM 0 HD3 ARG A 660 23.204 -17.816 -7.988 1.00 0.00 H new ATOM 0 HE ARG A 660 21.837 -18.697 -6.345 1.00 0.00 H new ATOM 0 HH11 ARG A 660 21.199 -20.492 -9.341 1.00 0.00 H new ATOM 0 HH12 ARG A 660 20.069 -21.598 -8.552 1.00 0.00 H new ATOM 0 HH21 ARG A 660 20.302 -20.033 -5.392 1.00 0.00 H new ATOM 0 HH22 ARG A 660 19.563 -21.338 -6.326 1.00 0.00 H new ATOM 1335 N GLY A 661 18.427 -14.602 -7.818 1.00 0.00 N ATOM 1336 CA GLY A 661 17.808 -13.404 -7.295 1.00 0.00 C ATOM 1337 C GLY A 661 16.610 -13.004 -8.139 1.00 0.00 C ATOM 1338 O GLY A 661 16.440 -11.814 -8.385 1.00 0.00 O ATOM 0 H GLY A 661 18.512 -14.595 -8.834 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.493 -13.572 -6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.534 -12.591 -7.278 1.00 0.00 H new ATOM 1342 N TYR A 662 15.821 -13.972 -8.624 1.00 0.00 N ATOM 1343 CA TYR A 662 14.574 -13.710 -9.350 1.00 0.00 C ATOM 1344 C TYR A 662 13.428 -14.285 -8.529 1.00 0.00 C ATOM 1345 O TYR A 662 13.322 -15.505 -8.443 1.00 0.00 O ATOM 1346 CB TYR A 662 14.632 -14.313 -10.776 1.00 0.00 C ATOM 1347 CG TYR A 662 13.322 -14.569 -11.532 1.00 0.00 C ATOM 1348 CD1 TYR A 662 12.140 -13.882 -11.209 1.00 0.00 C ATOM 1349 CD2 TYR A 662 13.266 -15.549 -12.548 1.00 0.00 C ATOM 1350 CE1 TYR A 662 10.912 -14.260 -11.778 1.00 0.00 C ATOM 1351 CE2 TYR A 662 12.040 -15.895 -13.163 1.00 0.00 C ATOM 1352 CZ TYR A 662 10.840 -15.261 -12.759 1.00 0.00 C ATOM 1353 OH TYR A 662 9.621 -15.582 -13.292 1.00 0.00 O ATOM 0 H TYR A 662 16.033 -14.965 -8.522 1.00 0.00 H new ATOM 0 HA TYR A 662 14.421 -12.639 -9.479 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.241 -13.648 -11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 662 15.164 -15.262 -10.710 1.00 0.00 H new ATOM 0 HD1 TYR A 662 12.175 -13.054 -10.516 1.00 0.00 H new ATOM 0 HD2 TYR A 662 14.175 -16.042 -12.860 1.00 0.00 H new ATOM 0 HE1 TYR A 662 10.006 -13.770 -11.454 1.00 0.00 H new ATOM 0 HE2 TYR A 662 12.019 -16.643 -13.941 1.00 0.00 H new ATOM 0 HH TYR A 662 9.100 -14.764 -13.434 1.00 0.00 H new ATOM 1363 N LEU A 663 12.562 -13.420 -7.980 1.00 0.00 N ATOM 1364 CA LEU A 663 11.275 -13.799 -7.411 1.00 0.00 C ATOM 1365 C LEU A 663 10.193 -13.914 -8.467 1.00 0.00 C ATOM 1366 O LEU A 663 10.023 -13.014 -9.285 1.00 0.00 O ATOM 1367 CB LEU A 663 10.753 -12.756 -6.424 1.00 0.00 C ATOM 1368 CG LEU A 663 11.558 -12.658 -5.135 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.877 -11.586 -4.288 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.664 -14.002 -4.394 1.00 0.00 C ATOM 0 H LEU A 663 12.748 -12.419 -7.922 1.00 0.00 H new ATOM 0 HA LEU A 663 11.465 -14.756 -6.924 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.749 -11.781 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.718 -12.993 -6.176 1.00 0.00 H new ATOM 0 HG LEU A 663 12.592 -12.389 -5.352 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.413 -11.471 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.883 -10.638 -4.827 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.848 -11.882 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.249 -13.870 -3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.666 -14.355 -4.136 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.153 -14.734 -5.037 1.00 0.00 H new ATOM 1382 N LYS A 664 9.377 -14.958 -8.357 1.00 0.00 N ATOM 1383 CA LYS A 664 8.244 -15.222 -9.226 1.00 0.00 C ATOM 1384 C LYS A 664 6.994 -15.344 -8.384 1.00 0.00 C ATOM 1385 O LYS A 664 7.041 -15.972 -7.326 1.00 0.00 O ATOM 1386 CB LYS A 664 8.550 -16.508 -10.008 1.00 0.00 C ATOM 1387 CG LYS A 664 7.388 -16.977 -10.881 1.00 0.00 C ATOM 1388 CD LYS A 664 7.590 -18.354 -11.520 1.00 0.00 C ATOM 1389 CE LYS A 664 6.444 -18.645 -12.511 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.077 -18.504 -11.941 1.00 0.00 N ATOM 0 H LYS A 664 9.494 -15.667 -7.633 1.00 0.00 H new ATOM 0 HA LYS A 664 8.076 -14.413 -9.936 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.424 -16.342 -10.638 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.809 -17.299 -9.305 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.482 -17.001 -10.276 1.00 0.00 H new ATOM 0 HG3 LYS A 664 7.225 -16.244 -11.671 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.548 -18.387 -12.038 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.619 -19.123 -10.748 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.539 -17.971 -13.363 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.561 -19.659 -12.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.374 -18.567 -12.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 4.908 -19.264 -11.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 4.992 -17.582 -11.467 1.00 0.00 H new ATOM 1404 N ILE A 665 5.878 -14.799 -8.876 1.00 0.00 N ATOM 1405 CA ILE A 665 4.573 -15.143 -8.319 1.00 0.00 C ATOM 1406 C ILE A 665 4.218 -16.543 -8.806 1.00 0.00 C ATOM 1407 O ILE A 665 4.239 -16.768 -10.019 1.00 0.00 O ATOM 1408 CB ILE A 665 3.471 -14.136 -8.695 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.890 -12.724 -8.250 1.00 0.00 C ATOM 1410 CG2 ILE A 665 2.161 -14.596 -8.023 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.918 -11.617 -8.642 1.00 0.00 C ATOM 0 H ILE A 665 5.853 -14.130 -9.645 1.00 0.00 H new ATOM 0 HA ILE A 665 4.636 -15.110 -7.231 1.00 0.00 H new ATOM 0 HB ILE A 665 3.316 -14.097 -9.773 1.00 0.00 H new ATOM 0 HG12 ILE A 665 4.007 -12.719 -7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.867 -12.499 -8.677 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.360 -13.900 -8.272 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.900 -15.592 -8.379 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.296 -14.621 -6.942 1.00 0.00 H new ATOM 0 HD11 ILE A 665 3.296 -10.658 -8.287 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.818 -11.588 -9.727 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.944 -11.812 -8.193 1.00 0.00 H new ATOM 1423 N VAL A 666 3.938 -17.465 -7.873 1.00 0.00 N ATOM 1424 CA VAL A 666 3.857 -18.893 -8.178 1.00 0.00 C ATOM 1425 C VAL A 666 2.953 -19.192 -9.374 1.00 0.00 C ATOM 1426 O VAL A 666 1.775 -18.779 -9.361 1.00 0.00 O ATOM 1427 CB VAL A 666 3.527 -19.700 -6.903 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.952 -21.102 -7.157 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.833 -19.868 -6.114 1.00 0.00 C ATOM 1430 OXT VAL A 666 3.507 -19.818 -10.311 1.00 0.00 O ATOM 0 H VAL A 666 3.763 -17.240 -6.894 1.00 0.00 H new ATOM 0 HA VAL A 666 4.839 -19.232 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 666 2.756 -19.142 -6.371 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.752 -21.591 -6.204 1.00 0.00 H new ATOM 0 HG12 VAL A 666 2.024 -21.018 -7.723 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.671 -21.693 -7.724 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.638 -20.435 -5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.561 -20.402 -6.725 1.00 0.00 H new ATOM 0 HG23 VAL A 666 5.229 -18.887 -5.852 1.00 0.00 H new