USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=14 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+ 162:sc= 1.15 (180deg=0.518) USER MOD Single : A 612 LYS NZ :NH3+ 178:sc= 2.25 (180deg=2.23) USER MOD Single : A 614 TYR OH : rot 30:sc= -0.0212 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot -152:sc= 0.816 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 85:sc= 0.286 USER MOD Single : A 631 MET CE :methyl 178:sc= -0.293 (180deg=-0.305) USER MOD Single : A 632 MET CE :methyl 159:sc= -0.319 (180deg=-1.2) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= -0.21 X(o=-0.21,f=-0.21) USER MOD Single : A 638 SER OG : rot 180:sc= 0.0185 USER MOD Single : A 641 LYS NZ :NH3+ -160:sc= 2.37 (180deg=2.12) USER MOD Single : A 650 LYS NZ :NH3+ -170:sc= 1.24 (180deg=1.22) USER MOD Single : A 652 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 662 TYR OH : rot 37:sc= 1.28 USER MOD Single : A 664 LYS NZ :NH3+ 179:sc= 0.821! (180deg=0.821!) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -3.992 -2.103 1.893 1.00 0.00 N ATOM 325 CA ARG A 601 -2.721 -2.752 1.643 1.00 0.00 C ATOM 326 C ARG A 601 -2.073 -3.163 2.956 1.00 0.00 C ATOM 327 O ARG A 601 -2.501 -2.762 4.035 1.00 0.00 O ATOM 328 CB ARG A 601 -1.824 -1.793 0.842 1.00 0.00 C ATOM 329 CG ARG A 601 -2.299 -1.644 -0.606 1.00 0.00 C ATOM 330 CD ARG A 601 -2.028 -2.952 -1.359 1.00 0.00 C ATOM 331 NE ARG A 601 -2.477 -2.927 -2.751 1.00 0.00 N ATOM 332 CZ ARG A 601 -3.717 -3.089 -3.227 1.00 0.00 C ATOM 333 NH1 ARG A 601 -4.795 -3.159 -2.439 1.00 0.00 N ATOM 334 NH2 ARG A 601 -3.839 -3.201 -4.546 1.00 0.00 N ATOM 0 HA ARG A 601 -2.871 -3.660 1.059 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.816 -0.815 1.324 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -0.798 -2.162 0.852 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -3.363 -1.409 -0.631 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -1.779 -0.817 -1.089 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.959 -3.162 -1.334 1.00 0.00 H new ATOM 0 HD3 ARG A 601 -2.526 -3.771 -0.840 1.00 0.00 H new ATOM 0 HE ARG A 601 -1.751 -2.765 -3.449 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -4.692 -3.088 -1.427 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -5.720 -3.283 -2.850 1.00 0.00 H new ATOM 0 HH21 ARG A 601 -3.011 -3.162 -5.140 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -4.761 -3.326 -4.964 1.00 0.00 H new ATOM 348 N ASP A 602 -1.025 -3.971 2.823 1.00 0.00 N ATOM 349 CA ASP A 602 -0.189 -4.486 3.886 1.00 0.00 C ATOM 350 C ASP A 602 1.216 -4.649 3.334 1.00 0.00 C ATOM 351 O ASP A 602 1.369 -4.813 2.134 1.00 0.00 O ATOM 352 CB ASP A 602 -0.665 -5.873 4.325 1.00 0.00 C ATOM 353 CG ASP A 602 0.259 -6.381 5.441 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.555 -5.616 6.387 1.00 0.00 O ATOM 355 OD2 ASP A 602 0.918 -7.414 5.212 1.00 0.00 O ATOM 0 H ASP A 602 -0.723 -4.301 1.906 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.227 -3.800 4.732 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.694 -5.824 4.680 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.651 -6.562 3.480 1.00 0.00 H new ATOM 360 N LYS A 603 2.222 -4.749 4.194 1.00 0.00 N ATOM 361 CA LYS A 603 3.584 -5.131 3.848 1.00 0.00 C ATOM 362 C LYS A 603 3.629 -6.363 2.928 1.00 0.00 C ATOM 363 O LYS A 603 4.295 -6.302 1.894 1.00 0.00 O ATOM 364 CB LYS A 603 4.340 -5.403 5.158 1.00 0.00 C ATOM 365 CG LYS A 603 4.344 -4.242 6.173 1.00 0.00 C ATOM 366 CD LYS A 603 4.644 -4.724 7.603 1.00 0.00 C ATOM 367 CE LYS A 603 3.400 -5.078 8.444 1.00 0.00 C ATOM 368 NZ LYS A 603 2.618 -6.239 7.953 1.00 0.00 N ATOM 0 H LYS A 603 2.106 -4.559 5.189 1.00 0.00 H new ATOM 0 HA LYS A 603 4.053 -4.320 3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 603 3.901 -6.279 5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.372 -5.655 4.916 1.00 0.00 H new ATOM 0 HG2 LYS A 603 5.089 -3.504 5.876 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.376 -3.742 6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 603 5.288 -5.601 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 603 5.206 -3.948 8.122 1.00 0.00 H new ATOM 0 HE2 LYS A 603 3.718 -5.280 9.467 1.00 0.00 H new ATOM 0 HE3 LYS A 603 2.745 -4.207 8.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 2.003 -6.591 8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 2.034 -5.947 7.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 3.268 -6.995 7.656 1.00 0.00 H new ATOM 382 N PHE A 604 2.910 -7.452 3.252 1.00 0.00 N ATOM 383 CA PHE A 604 2.851 -8.653 2.412 1.00 0.00 C ATOM 384 C PHE A 604 2.346 -8.298 1.012 1.00 0.00 C ATOM 385 O PHE A 604 2.924 -8.695 -0.001 1.00 0.00 O ATOM 386 CB PHE A 604 1.901 -9.702 3.030 1.00 0.00 C ATOM 387 CG PHE A 604 2.253 -10.241 4.408 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.572 -10.617 4.722 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.246 -10.394 5.382 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.885 -11.088 6.007 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.557 -10.883 6.663 1.00 0.00 C ATOM 392 CZ PHE A 604 2.882 -11.224 6.980 1.00 0.00 C ATOM 0 H PHE A 604 2.355 -7.521 4.105 1.00 0.00 H new ATOM 0 HA PHE A 604 3.858 -9.066 2.348 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.905 -9.263 3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.840 -10.547 2.344 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.346 -10.543 3.972 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.226 -10.133 5.142 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.905 -11.348 6.249 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.778 -10.996 7.402 1.00 0.00 H new ATOM 0 HZ PHE A 604 3.128 -11.589 7.966 1.00 0.00 H new ATOM 402 N ARG A 605 1.246 -7.541 0.975 1.00 0.00 N ATOM 403 CA ARG A 605 0.632 -7.045 -0.244 1.00 0.00 C ATOM 404 C ARG A 605 1.620 -6.163 -1.008 1.00 0.00 C ATOM 405 O ARG A 605 1.777 -6.358 -2.204 1.00 0.00 O ATOM 406 CB ARG A 605 -0.678 -6.304 0.103 1.00 0.00 C ATOM 407 CG ARG A 605 -1.917 -7.207 0.074 1.00 0.00 C ATOM 408 CD ARG A 605 -2.181 -7.831 1.453 1.00 0.00 C ATOM 409 NE ARG A 605 -3.106 -8.974 1.370 1.00 0.00 N ATOM 410 CZ ARG A 605 -2.801 -10.219 0.969 1.00 0.00 C ATOM 411 NH1 ARG A 605 -1.556 -10.531 0.599 1.00 0.00 N ATOM 412 NH2 ARG A 605 -3.750 -11.155 0.935 1.00 0.00 N ATOM 0 H ARG A 605 0.750 -7.253 1.819 1.00 0.00 H new ATOM 0 HA ARG A 605 0.375 -7.877 -0.900 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.584 -5.861 1.095 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.819 -5.484 -0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.786 -6.627 -0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.778 -7.996 -0.665 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.238 -8.158 1.890 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.596 -7.075 2.120 1.00 0.00 H new ATOM 0 HE ARG A 605 -4.074 -8.803 1.644 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -0.825 -9.820 0.619 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -1.337 -11.480 0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -4.704 -10.924 1.213 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -3.522 -12.102 0.631 1.00 0.00 H new ATOM 426 N LEU A 606 2.304 -5.231 -0.344 1.00 0.00 N ATOM 427 CA LEU A 606 3.177 -4.250 -0.959 1.00 0.00 C ATOM 428 C LEU A 606 4.400 -4.936 -1.562 1.00 0.00 C ATOM 429 O LEU A 606 4.776 -4.592 -2.681 1.00 0.00 O ATOM 430 CB LEU A 606 3.549 -3.142 0.040 1.00 0.00 C ATOM 431 CG LEU A 606 2.367 -2.239 0.467 1.00 0.00 C ATOM 432 CD1 LEU A 606 2.815 -1.307 1.599 1.00 0.00 C ATOM 433 CD2 LEU A 606 1.790 -1.420 -0.692 1.00 0.00 C ATOM 0 H LEU A 606 2.259 -5.141 0.671 1.00 0.00 H new ATOM 0 HA LEU A 606 2.646 -3.762 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 606 3.978 -3.602 0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.325 -2.518 -0.402 1.00 0.00 H new ATOM 0 HG LEU A 606 1.569 -2.896 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 606 1.982 -0.672 1.899 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.143 -1.902 2.452 1.00 0.00 H new ATOM 0 HD13 LEU A 606 3.640 -0.684 1.253 1.00 0.00 H new ATOM 0 HD21 LEU A 606 0.965 -0.807 -0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.566 -0.775 -1.104 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.428 -2.094 -1.469 1.00 0.00 H new ATOM 445 N LEU A 607 4.965 -5.952 -0.888 1.00 0.00 N ATOM 446 CA LEU A 607 5.993 -6.773 -1.518 1.00 0.00 C ATOM 447 C LEU A 607 5.421 -7.449 -2.769 1.00 0.00 C ATOM 448 O LEU A 607 6.024 -7.367 -3.838 1.00 0.00 O ATOM 449 CB LEU A 607 6.614 -7.803 -0.548 1.00 0.00 C ATOM 450 CG LEU A 607 7.684 -8.683 -1.243 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.085 -8.161 -0.940 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.558 -10.150 -0.821 1.00 0.00 C ATOM 0 H LEU A 607 4.730 -6.214 0.069 1.00 0.00 H new ATOM 0 HA LEU A 607 6.810 -6.114 -1.812 1.00 0.00 H new ATOM 0 HB2 LEU A 607 7.066 -7.280 0.295 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.828 -8.440 -0.143 1.00 0.00 H new ATOM 0 HG LEU A 607 7.514 -8.627 -2.318 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.823 -8.791 -1.436 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.178 -7.138 -1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.256 -8.181 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.322 -10.741 -1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.690 -10.231 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.571 -10.524 -1.094 1.00 0.00 H new ATOM 464 N LEU A 608 4.270 -8.122 -2.649 1.00 0.00 N ATOM 465 CA LEU A 608 3.716 -8.919 -3.733 1.00 0.00 C ATOM 466 C LEU A 608 3.391 -8.039 -4.941 1.00 0.00 C ATOM 467 O LEU A 608 3.623 -8.444 -6.078 1.00 0.00 O ATOM 468 CB LEU A 608 2.469 -9.631 -3.182 1.00 0.00 C ATOM 469 CG LEU A 608 1.744 -10.533 -4.188 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.598 -11.745 -4.564 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.423 -11.019 -3.579 1.00 0.00 C ATOM 0 H LEU A 608 3.705 -8.125 -1.800 1.00 0.00 H new ATOM 0 HA LEU A 608 4.436 -9.658 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.762 -10.233 -2.322 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.769 -8.878 -2.820 1.00 0.00 H new ATOM 0 HG LEU A 608 1.554 -9.951 -5.090 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.056 -12.365 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.532 -11.407 -5.012 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.815 -12.329 -3.669 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.093 -11.660 -4.294 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.628 -11.582 -2.668 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.206 -10.161 -3.342 1.00 0.00 H new ATOM 483 N GLU A 609 2.907 -6.822 -4.691 1.00 0.00 N ATOM 484 CA GLU A 609 2.634 -5.821 -5.703 1.00 0.00 C ATOM 485 C GLU A 609 3.889 -5.507 -6.518 1.00 0.00 C ATOM 486 O GLU A 609 3.799 -5.498 -7.751 1.00 0.00 O ATOM 487 CB GLU A 609 2.075 -4.554 -5.053 1.00 0.00 C ATOM 488 CG GLU A 609 0.647 -4.741 -4.509 1.00 0.00 C ATOM 489 CD GLU A 609 -0.411 -4.250 -5.496 1.00 0.00 C ATOM 490 OE1 GLU A 609 -0.394 -4.740 -6.648 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.255 -3.415 -5.093 1.00 0.00 O ATOM 0 H GLU A 609 2.690 -6.503 -3.747 1.00 0.00 H new ATOM 0 HA GLU A 609 1.886 -6.219 -6.389 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.732 -4.249 -4.238 1.00 0.00 H new ATOM 0 HB3 GLU A 609 2.077 -3.745 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.477 -5.795 -4.291 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.544 -4.200 -3.568 1.00 0.00 H new ATOM 498 N LEU A 610 5.049 -5.327 -5.864 1.00 0.00 N ATOM 499 CA LEU A 610 6.304 -5.106 -6.577 1.00 0.00 C ATOM 500 C LEU A 610 6.656 -6.292 -7.456 1.00 0.00 C ATOM 501 O LEU A 610 7.194 -6.085 -8.538 1.00 0.00 O ATOM 502 CB LEU A 610 7.502 -4.836 -5.652 1.00 0.00 C ATOM 503 CG LEU A 610 7.805 -3.355 -5.397 1.00 0.00 C ATOM 504 CD1 LEU A 610 6.920 -2.797 -4.292 1.00 0.00 C ATOM 505 CD2 LEU A 610 9.266 -3.212 -4.972 1.00 0.00 C ATOM 0 H LEU A 610 5.137 -5.331 -4.848 1.00 0.00 H new ATOM 0 HA LEU A 610 6.125 -4.215 -7.178 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.319 -5.324 -4.694 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.387 -5.303 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 610 7.611 -2.801 -6.315 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.157 -1.745 -4.133 1.00 0.00 H new ATOM 0 HD12 LEU A 610 5.873 -2.894 -4.580 1.00 0.00 H new ATOM 0 HD13 LEU A 610 7.095 -3.352 -3.370 1.00 0.00 H new ATOM 0 HD21 LEU A 610 9.490 -2.161 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 610 9.437 -3.784 -4.060 1.00 0.00 H new ATOM 0 HD23 LEU A 610 9.914 -3.588 -5.764 1.00 0.00 H new ATOM 517 N ILE A 611 6.384 -7.521 -7.005 1.00 0.00 N ATOM 518 CA ILE A 611 6.739 -8.701 -7.783 1.00 0.00 C ATOM 519 C ILE A 611 5.983 -8.644 -9.116 1.00 0.00 C ATOM 520 O ILE A 611 6.594 -8.807 -10.171 1.00 0.00 O ATOM 521 CB ILE A 611 6.530 -10.017 -6.990 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.360 -9.999 -5.686 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.973 -11.245 -7.811 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.048 -11.114 -4.694 1.00 0.00 C ATOM 0 H ILE A 611 5.925 -7.718 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 611 7.807 -8.699 -7.999 1.00 0.00 H new ATOM 0 HB ILE A 611 5.465 -10.088 -6.768 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.417 -10.054 -5.948 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.204 -9.041 -5.190 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.813 -12.151 -7.226 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.389 -11.299 -8.730 1.00 0.00 H new ATOM 0 HG23 ILE A 611 8.031 -11.155 -8.058 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.685 -11.009 -3.816 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.002 -11.051 -4.393 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.233 -12.080 -5.163 1.00 0.00 H new ATOM 536 N LYS A 612 4.683 -8.321 -9.100 1.00 0.00 N ATOM 537 CA LYS A 612 3.890 -8.350 -10.331 1.00 0.00 C ATOM 538 C LYS A 612 4.169 -7.114 -11.173 1.00 0.00 C ATOM 539 O LYS A 612 4.173 -7.195 -12.400 1.00 0.00 O ATOM 540 CB LYS A 612 2.380 -8.543 -10.098 1.00 0.00 C ATOM 541 CG LYS A 612 1.823 -8.106 -8.728 1.00 0.00 C ATOM 542 CD LYS A 612 0.461 -7.436 -8.818 1.00 0.00 C ATOM 543 CE LYS A 612 0.545 -6.108 -9.570 1.00 0.00 C ATOM 544 NZ LYS A 612 1.168 -5.020 -8.774 1.00 0.00 N ATOM 0 H LYS A 612 4.168 -8.042 -8.265 1.00 0.00 H new ATOM 0 HA LYS A 612 4.210 -9.235 -10.880 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.845 -7.994 -10.872 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.148 -9.599 -10.237 1.00 0.00 H new ATOM 0 HG2 LYS A 612 1.749 -8.978 -8.079 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.528 -7.419 -8.259 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.240 -8.099 -9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 612 0.071 -7.264 -7.815 1.00 0.00 H new ATOM 0 HE2 LYS A 612 1.118 -6.253 -10.486 1.00 0.00 H new ATOM 0 HE3 LYS A 612 -0.458 -5.803 -9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 1.226 -4.157 -9.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 0.591 -4.834 -7.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 2.124 -5.307 -8.483 1.00 0.00 H new ATOM 558 N GLU A 613 4.431 -5.975 -10.525 1.00 0.00 N ATOM 559 CA GLU A 613 4.727 -4.725 -11.212 1.00 0.00 C ATOM 560 C GLU A 613 6.177 -4.657 -11.718 1.00 0.00 C ATOM 561 O GLU A 613 6.553 -3.664 -12.336 1.00 0.00 O ATOM 562 CB GLU A 613 4.229 -3.535 -10.380 1.00 0.00 C ATOM 563 CG GLU A 613 5.260 -2.994 -9.389 1.00 0.00 C ATOM 564 CD GLU A 613 4.661 -2.261 -8.167 1.00 0.00 C ATOM 565 OE1 GLU A 613 3.445 -2.417 -7.904 1.00 0.00 O ATOM 566 OE2 GLU A 613 5.446 -1.550 -7.488 1.00 0.00 O ATOM 0 H GLU A 613 4.443 -5.899 -9.508 1.00 0.00 H new ATOM 0 HA GLU A 613 4.162 -4.672 -12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 613 3.933 -2.732 -11.055 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.336 -3.836 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 613 5.872 -3.823 -9.034 1.00 0.00 H new ATOM 0 HG3 GLU A 613 5.925 -2.310 -9.915 1.00 0.00 H new ATOM 573 N TYR A 614 6.956 -5.733 -11.524 1.00 0.00 N ATOM 574 CA TYR A 614 8.247 -5.940 -12.163 1.00 0.00 C ATOM 575 C TYR A 614 8.240 -7.147 -13.091 1.00 0.00 C ATOM 576 O TYR A 614 8.933 -7.098 -14.102 1.00 0.00 O ATOM 577 CB TYR A 614 9.379 -6.048 -11.134 1.00 0.00 C ATOM 578 CG TYR A 614 10.024 -4.709 -10.848 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.708 -4.050 -11.888 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.917 -4.103 -9.582 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.279 -2.787 -11.681 1.00 0.00 C ATOM 582 CE2 TYR A 614 10.492 -2.837 -9.361 1.00 0.00 C ATOM 583 CZ TYR A 614 11.169 -2.176 -10.413 1.00 0.00 C ATOM 584 OH TYR A 614 11.681 -0.930 -10.218 1.00 0.00 O ATOM 0 H TYR A 614 6.691 -6.496 -10.902 1.00 0.00 H new ATOM 0 HA TYR A 614 8.435 -5.058 -12.775 1.00 0.00 H new ATOM 0 HB2 TYR A 614 8.986 -6.465 -10.207 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.135 -6.742 -11.500 1.00 0.00 H new ATOM 0 HD1 TYR A 614 10.793 -4.523 -12.855 1.00 0.00 H new ATOM 0 HD2 TYR A 614 9.395 -4.608 -8.782 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.798 -2.286 -12.484 1.00 0.00 H new ATOM 0 HE2 TYR A 614 10.416 -2.371 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 614 11.644 -0.426 -11.058 1.00 0.00 H new ATOM 594 N GLU A 615 7.438 -8.184 -12.816 1.00 0.00 N ATOM 595 CA GLU A 615 7.288 -9.339 -13.694 1.00 0.00 C ATOM 596 C GLU A 615 7.084 -8.891 -15.142 1.00 0.00 C ATOM 597 O GLU A 615 7.922 -9.171 -15.998 1.00 0.00 O ATOM 598 CB GLU A 615 6.176 -10.258 -13.164 1.00 0.00 C ATOM 599 CG GLU A 615 6.752 -11.337 -12.224 1.00 0.00 C ATOM 600 CD GLU A 615 5.693 -12.167 -11.481 1.00 0.00 C ATOM 601 OE1 GLU A 615 4.592 -11.642 -11.206 1.00 0.00 O ATOM 602 OE2 GLU A 615 6.011 -13.333 -11.149 1.00 0.00 O ATOM 0 H GLU A 615 6.872 -8.240 -11.969 1.00 0.00 H new ATOM 0 HA GLU A 615 8.204 -9.930 -13.694 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.433 -9.665 -12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 615 5.664 -10.735 -14.000 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.380 -12.011 -12.807 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.398 -10.854 -11.490 1.00 0.00 H new ATOM 609 N ASP A 616 6.029 -8.129 -15.412 1.00 0.00 N ATOM 610 CA ASP A 616 5.655 -7.733 -16.769 1.00 0.00 C ATOM 611 C ASP A 616 6.749 -6.895 -17.437 1.00 0.00 C ATOM 612 O ASP A 616 6.988 -7.015 -18.635 1.00 0.00 O ATOM 613 CB ASP A 616 4.324 -6.972 -16.717 1.00 0.00 C ATOM 614 CG ASP A 616 3.759 -6.718 -18.115 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.445 -7.724 -18.790 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.598 -5.528 -18.466 1.00 0.00 O ATOM 0 H ASP A 616 5.404 -7.766 -14.692 1.00 0.00 H new ATOM 0 HA ASP A 616 5.536 -8.629 -17.379 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.602 -7.542 -16.132 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.469 -6.021 -16.205 1.00 0.00 H new ATOM 621 N ASP A 617 7.474 -6.117 -16.631 1.00 0.00 N ATOM 622 CA ASP A 617 8.548 -5.231 -17.056 1.00 0.00 C ATOM 623 C ASP A 617 9.801 -6.006 -17.450 1.00 0.00 C ATOM 624 O ASP A 617 10.472 -5.677 -18.426 1.00 0.00 O ATOM 625 CB ASP A 617 8.849 -4.294 -15.890 1.00 0.00 C ATOM 626 CG ASP A 617 9.944 -3.267 -16.176 1.00 0.00 C ATOM 627 OD1 ASP A 617 9.734 -2.433 -17.083 1.00 0.00 O ATOM 628 OD2 ASP A 617 10.961 -3.308 -15.444 1.00 0.00 O ATOM 0 H ASP A 617 7.319 -6.089 -15.623 1.00 0.00 H new ATOM 0 HA ASP A 617 8.237 -4.674 -17.940 1.00 0.00 H new ATOM 0 HB2 ASP A 617 7.935 -3.767 -15.617 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.143 -4.890 -15.026 1.00 0.00 H new ATOM 633 N TYR A 618 10.095 -7.071 -16.701 1.00 0.00 N ATOM 634 CA TYR A 618 11.233 -7.948 -16.940 1.00 0.00 C ATOM 635 C TYR A 618 10.834 -9.113 -17.846 1.00 0.00 C ATOM 636 O TYR A 618 11.679 -9.943 -18.184 1.00 0.00 O ATOM 637 CB TYR A 618 11.780 -8.410 -15.584 1.00 0.00 C ATOM 638 CG TYR A 618 12.836 -7.489 -15.006 1.00 0.00 C ATOM 639 CD1 TYR A 618 12.474 -6.209 -14.551 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.188 -7.888 -14.968 1.00 0.00 C ATOM 641 CE1 TYR A 618 13.451 -5.322 -14.069 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.173 -7.008 -14.483 1.00 0.00 C ATOM 643 CZ TYR A 618 14.806 -5.716 -14.035 1.00 0.00 C ATOM 644 OH TYR A 618 15.749 -4.850 -13.567 1.00 0.00 O ATOM 0 H TYR A 618 9.534 -7.350 -15.896 1.00 0.00 H new ATOM 0 HA TYR A 618 12.025 -7.415 -17.466 1.00 0.00 H new ATOM 0 HB2 TYR A 618 10.954 -8.490 -14.877 1.00 0.00 H new ATOM 0 HB3 TYR A 618 12.203 -9.409 -15.694 1.00 0.00 H new ATOM 0 HD1 TYR A 618 11.438 -5.906 -14.572 1.00 0.00 H new ATOM 0 HD2 TYR A 618 14.468 -8.872 -15.312 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.165 -4.339 -13.725 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.207 -7.318 -14.453 1.00 0.00 H new ATOM 0 HH TYR A 618 16.632 -5.274 -13.609 1.00 0.00 H new ATOM 654 N GLY A 619 9.552 -9.192 -18.231 1.00 0.00 N ATOM 655 CA GLY A 619 9.055 -10.276 -19.077 1.00 0.00 C ATOM 656 C GLY A 619 9.006 -11.600 -18.308 1.00 0.00 C ATOM 657 O GLY A 619 9.160 -12.678 -18.881 1.00 0.00 O ATOM 0 H GLY A 619 8.840 -8.511 -17.966 1.00 0.00 H new ATOM 0 HA2 GLY A 619 8.059 -10.028 -19.443 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.698 -10.383 -19.951 1.00 0.00 H new ATOM 661 N GLY A 620 8.809 -11.492 -16.996 1.00 0.00 N ATOM 662 CA GLY A 620 8.525 -12.539 -16.044 1.00 0.00 C ATOM 663 C GLY A 620 9.607 -12.680 -14.979 1.00 0.00 C ATOM 664 O GLY A 620 9.836 -13.809 -14.540 1.00 0.00 O ATOM 0 H GLY A 620 8.850 -10.580 -16.540 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.570 -12.334 -15.560 1.00 0.00 H new ATOM 0 HA3 GLY A 620 8.418 -13.486 -16.574 1.00 0.00 H new ATOM 668 N ARG A 621 10.261 -11.578 -14.554 1.00 0.00 N ATOM 669 CA ARG A 621 11.159 -11.590 -13.388 1.00 0.00 C ATOM 670 C ARG A 621 10.785 -10.475 -12.426 1.00 0.00 C ATOM 671 O ARG A 621 10.301 -9.437 -12.842 1.00 0.00 O ATOM 672 CB ARG A 621 12.675 -11.458 -13.697 1.00 0.00 C ATOM 673 CG ARG A 621 13.234 -12.034 -15.000 1.00 0.00 C ATOM 674 CD ARG A 621 13.177 -13.550 -15.136 1.00 0.00 C ATOM 675 NE ARG A 621 13.249 -13.947 -16.553 1.00 0.00 N ATOM 676 CZ ARG A 621 13.817 -15.048 -17.062 1.00 0.00 C ATOM 677 NH1 ARG A 621 14.450 -15.916 -16.272 1.00 0.00 N ATOM 678 NH2 ARG A 621 13.750 -15.276 -18.373 1.00 0.00 N ATOM 0 H ARG A 621 10.181 -10.667 -15.006 1.00 0.00 H new ATOM 0 HA ARG A 621 11.015 -12.582 -12.959 1.00 0.00 H new ATOM 0 HB2 ARG A 621 12.920 -10.396 -13.678 1.00 0.00 H new ATOM 0 HB3 ARG A 621 13.217 -11.925 -12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 621 12.687 -11.593 -15.833 1.00 0.00 H new ATOM 0 HG3 ARG A 621 14.273 -11.719 -15.098 1.00 0.00 H new ATOM 0 HD2 ARG A 621 14.002 -14.001 -14.584 1.00 0.00 H new ATOM 0 HD3 ARG A 621 12.254 -13.926 -14.694 1.00 0.00 H new ATOM 0 HE ARG A 621 12.817 -13.311 -17.223 1.00 0.00 H new ATOM 0 HH11 ARG A 621 14.506 -15.745 -15.268 1.00 0.00 H new ATOM 0 HH12 ARG A 621 14.879 -16.751 -16.672 1.00 0.00 H new ATOM 0 HH21 ARG A 621 13.269 -14.614 -18.982 1.00 0.00 H new ATOM 0 HH22 ARG A 621 14.180 -16.112 -18.768 1.00 0.00 H new ATOM 692 N ALA A 622 11.137 -10.636 -11.160 1.00 0.00 N ATOM 693 CA ALA A 622 11.163 -9.557 -10.194 1.00 0.00 C ATOM 694 C ALA A 622 12.467 -9.707 -9.407 1.00 0.00 C ATOM 695 O ALA A 622 12.540 -10.555 -8.521 1.00 0.00 O ATOM 696 CB ALA A 622 9.914 -9.596 -9.325 1.00 0.00 C ATOM 0 H ALA A 622 11.417 -11.537 -10.772 1.00 0.00 H new ATOM 0 HA ALA A 622 11.148 -8.575 -10.667 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.947 -8.780 -8.604 1.00 0.00 H new ATOM 0 HB2 ALA A 622 9.030 -9.489 -9.954 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.869 -10.547 -8.795 1.00 0.00 H new ATOM 702 N PRO A 623 13.536 -8.986 -9.778 1.00 0.00 N ATOM 703 CA PRO A 623 14.850 -9.146 -9.167 1.00 0.00 C ATOM 704 C PRO A 623 14.814 -8.777 -7.679 1.00 0.00 C ATOM 705 O PRO A 623 14.426 -7.665 -7.311 1.00 0.00 O ATOM 706 CB PRO A 623 15.810 -8.282 -9.984 1.00 0.00 C ATOM 707 CG PRO A 623 14.887 -7.289 -10.680 1.00 0.00 C ATOM 708 CD PRO A 623 13.579 -8.026 -10.863 1.00 0.00 C ATOM 0 HA PRO A 623 15.186 -10.183 -9.186 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.537 -7.777 -9.348 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.374 -8.877 -10.702 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.752 -6.389 -10.080 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.299 -6.973 -11.639 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.731 -7.342 -10.819 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.538 -8.523 -11.832 1.00 0.00 H new ATOM 716 N THR A 624 15.214 -9.716 -6.818 1.00 0.00 N ATOM 717 CA THR A 624 14.963 -9.708 -5.385 1.00 0.00 C ATOM 718 C THR A 624 15.663 -8.514 -4.740 1.00 0.00 C ATOM 719 O THR A 624 15.102 -7.859 -3.862 1.00 0.00 O ATOM 720 CB THR A 624 15.427 -11.058 -4.794 1.00 0.00 C ATOM 721 OG1 THR A 624 14.964 -12.114 -5.617 1.00 0.00 O ATOM 722 CG2 THR A 624 14.901 -11.267 -3.375 1.00 0.00 C ATOM 0 H THR A 624 15.743 -10.534 -7.119 1.00 0.00 H new ATOM 0 HA THR A 624 13.898 -9.597 -5.179 1.00 0.00 H new ATOM 0 HB THR A 624 16.516 -11.049 -4.755 1.00 0.00 H new ATOM 0 HG1 THR A 624 14.849 -12.923 -5.077 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.250 -12.228 -2.996 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.266 -10.468 -2.730 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.811 -11.255 -3.386 1.00 0.00 H new ATOM 730 N ASN A 625 16.862 -8.176 -5.228 1.00 0.00 N ATOM 731 CA ASN A 625 17.577 -7.015 -4.731 1.00 0.00 C ATOM 732 C ASN A 625 16.826 -5.721 -5.038 1.00 0.00 C ATOM 733 O ASN A 625 16.779 -4.836 -4.186 1.00 0.00 O ATOM 734 CB ASN A 625 19.008 -6.965 -5.281 1.00 0.00 C ATOM 735 CG ASN A 625 19.821 -8.167 -4.818 1.00 0.00 C ATOM 736 OD1 ASN A 625 19.940 -9.147 -5.542 1.00 0.00 O ATOM 737 ND2 ASN A 625 20.358 -8.132 -3.606 1.00 0.00 N ATOM 0 H ASN A 625 17.348 -8.692 -5.962 1.00 0.00 H new ATOM 0 HA ASN A 625 17.639 -7.111 -3.647 1.00 0.00 H new ATOM 0 HB2 ASN A 625 18.981 -6.940 -6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.494 -6.046 -4.953 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.884 -8.933 -3.258 1.00 0.00 H new ATOM 0 HD22 ASN A 625 20.245 -7.304 -3.022 1.00 0.00 H new ATOM 744 N ILE A 626 16.210 -5.618 -6.223 1.00 0.00 N ATOM 745 CA ILE A 626 15.449 -4.435 -6.595 1.00 0.00 C ATOM 746 C ILE A 626 14.192 -4.376 -5.733 1.00 0.00 C ATOM 747 O ILE A 626 13.917 -3.311 -5.204 1.00 0.00 O ATOM 748 CB ILE A 626 15.134 -4.417 -8.103 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.404 -4.566 -8.979 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.344 -3.162 -8.505 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.461 -3.467 -8.804 1.00 0.00 C ATOM 0 H ILE A 626 16.229 -6.346 -6.937 1.00 0.00 H new ATOM 0 HA ILE A 626 16.042 -3.540 -6.410 1.00 0.00 H new ATOM 0 HB ILE A 626 14.507 -5.289 -8.290 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.866 -5.528 -8.758 1.00 0.00 H new ATOM 0 HG13 ILE A 626 16.101 -4.591 -10.026 1.00 0.00 H new ATOM 0 HG21 ILE A 626 14.142 -3.187 -9.576 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.402 -3.135 -7.958 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.928 -2.273 -8.267 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.307 -3.667 -9.462 1.00 0.00 H new ATOM 0 HD12 ILE A 626 17.026 -2.500 -9.057 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.802 -3.452 -7.769 1.00 0.00 H new ATOM 763 N LEU A 627 13.474 -5.492 -5.524 1.00 0.00 N ATOM 764 CA LEU A 627 12.341 -5.539 -4.591 1.00 0.00 C ATOM 765 C LEU A 627 12.724 -4.975 -3.229 1.00 0.00 C ATOM 766 O LEU A 627 11.962 -4.185 -2.685 1.00 0.00 O ATOM 767 CB LEU A 627 11.851 -6.982 -4.388 1.00 0.00 C ATOM 768 CG LEU A 627 10.861 -7.447 -5.465 1.00 0.00 C ATOM 769 CD1 LEU A 627 11.301 -8.778 -6.073 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.477 -7.555 -4.849 1.00 0.00 C ATOM 0 H LEU A 627 13.662 -6.378 -5.993 1.00 0.00 H new ATOM 0 HA LEU A 627 11.548 -4.935 -5.031 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.711 -7.652 -4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.377 -7.063 -3.410 1.00 0.00 H new ATOM 0 HG LEU A 627 10.836 -6.717 -6.274 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.583 -9.086 -6.833 1.00 0.00 H new ATOM 0 HD12 LEU A 627 12.285 -8.663 -6.528 1.00 0.00 H new ATOM 0 HD13 LEU A 627 11.350 -9.536 -5.292 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.766 -7.885 -5.607 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.498 -8.276 -4.032 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.172 -6.581 -4.465 1.00 0.00 H new ATOM 782 N ILE A 628 13.878 -5.370 -2.682 1.00 0.00 N ATOM 783 CA ILE A 628 14.370 -4.853 -1.407 1.00 0.00 C ATOM 784 C ILE A 628 14.539 -3.333 -1.515 1.00 0.00 C ATOM 785 O ILE A 628 13.832 -2.594 -0.822 1.00 0.00 O ATOM 786 CB ILE A 628 15.638 -5.620 -0.965 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.286 -7.089 -0.618 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.283 -4.945 0.255 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.505 -8.019 -0.581 1.00 0.00 C ATOM 0 H ILE A 628 14.496 -6.058 -3.113 1.00 0.00 H new ATOM 0 HA ILE A 628 13.649 -5.025 -0.608 1.00 0.00 H new ATOM 0 HB ILE A 628 16.347 -5.606 -1.793 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.789 -7.116 0.352 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.573 -7.466 -1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 628 17.173 -5.500 0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.561 -3.922 0.000 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.573 -4.933 1.082 1.00 0.00 H new ATOM 0 HD11 ILE A 628 16.184 -9.030 -0.332 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.990 -8.022 -1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 628 17.209 -7.666 0.173 1.00 0.00 H new ATOM 801 N THR A 629 15.447 -2.874 -2.386 1.00 0.00 N ATOM 802 CA THR A 629 15.776 -1.461 -2.551 1.00 0.00 C ATOM 803 C THR A 629 14.509 -0.627 -2.773 1.00 0.00 C ATOM 804 O THR A 629 14.287 0.358 -2.071 1.00 0.00 O ATOM 805 CB THR A 629 16.791 -1.327 -3.700 1.00 0.00 C ATOM 806 OG1 THR A 629 17.932 -2.115 -3.421 1.00 0.00 O ATOM 807 CG2 THR A 629 17.267 0.109 -3.916 1.00 0.00 C ATOM 0 H THR A 629 15.979 -3.487 -3.003 1.00 0.00 H new ATOM 0 HA THR A 629 16.234 -1.068 -1.643 1.00 0.00 H new ATOM 0 HB THR A 629 16.276 -1.659 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.775 -3.035 -3.719 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.981 0.136 -4.740 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.413 0.743 -4.155 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.747 0.474 -3.008 1.00 0.00 H new ATOM 815 N GLU A 630 13.649 -1.047 -3.700 1.00 0.00 N ATOM 816 CA GLU A 630 12.416 -0.365 -4.037 1.00 0.00 C ATOM 817 C GLU A 630 11.408 -0.427 -2.891 1.00 0.00 C ATOM 818 O GLU A 630 10.738 0.564 -2.652 1.00 0.00 O ATOM 819 CB GLU A 630 11.836 -0.959 -5.327 1.00 0.00 C ATOM 820 CG GLU A 630 12.653 -0.583 -6.572 1.00 0.00 C ATOM 821 CD GLU A 630 12.686 0.927 -6.823 1.00 0.00 C ATOM 822 OE1 GLU A 630 11.582 1.497 -7.010 1.00 0.00 O ATOM 823 OE2 GLU A 630 13.802 1.483 -6.847 1.00 0.00 O ATOM 0 H GLU A 630 13.802 -1.894 -4.247 1.00 0.00 H new ATOM 0 HA GLU A 630 12.635 0.690 -4.204 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.797 -2.045 -5.237 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.810 -0.613 -5.452 1.00 0.00 H new ATOM 0 HG2 GLU A 630 13.673 -0.950 -6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 630 12.230 -1.083 -7.444 1.00 0.00 H new ATOM 830 N MET A 631 11.299 -1.507 -2.115 1.00 0.00 N ATOM 831 CA MET A 631 10.440 -1.496 -0.928 1.00 0.00 C ATOM 832 C MET A 631 10.927 -0.471 0.105 1.00 0.00 C ATOM 833 O MET A 631 10.081 0.179 0.732 1.00 0.00 O ATOM 834 CB MET A 631 10.390 -2.886 -0.300 1.00 0.00 C ATOM 835 CG MET A 631 9.388 -3.833 -0.971 1.00 0.00 C ATOM 836 SD MET A 631 7.648 -3.539 -0.557 1.00 0.00 S ATOM 837 CE MET A 631 7.587 -4.288 1.086 1.00 0.00 C ATOM 0 H MET A 631 11.786 -2.388 -2.282 1.00 0.00 H new ATOM 0 HA MET A 631 9.437 -1.208 -1.244 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.384 -3.331 -0.347 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.133 -2.789 0.755 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.506 -3.754 -2.052 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.642 -4.857 -0.697 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.589 -4.164 1.506 1.00 0.00 H new ATOM 0 HE2 MET A 631 7.819 -5.350 1.010 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.316 -3.803 1.734 1.00 0.00 H new ATOM 847 N MET A 632 12.249 -0.277 0.272 1.00 0.00 N ATOM 848 CA MET A 632 12.735 0.775 1.175 1.00 0.00 C ATOM 849 C MET A 632 12.474 2.166 0.590 1.00 0.00 C ATOM 850 O MET A 632 12.422 3.135 1.341 1.00 0.00 O ATOM 851 CB MET A 632 14.223 0.647 1.572 1.00 0.00 C ATOM 852 CG MET A 632 14.937 -0.642 1.160 1.00 0.00 C ATOM 853 SD MET A 632 16.685 -0.776 1.617 1.00 0.00 S ATOM 854 CE MET A 632 16.514 -0.723 3.411 1.00 0.00 C ATOM 0 H MET A 632 12.978 -0.819 -0.192 1.00 0.00 H new ATOM 0 HA MET A 632 12.162 0.639 2.093 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.764 1.489 1.139 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.296 0.745 2.655 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.403 -1.484 1.601 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.858 -0.745 0.078 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.401 -1.156 3.874 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.403 0.312 3.736 1.00 0.00 H new ATOM 0 HE3 MET A 632 15.634 -1.293 3.710 1.00 0.00 H new ATOM 864 N ASP A 633 12.290 2.268 -0.728 1.00 0.00 N ATOM 865 CA ASP A 633 12.107 3.527 -1.433 1.00 0.00 C ATOM 866 C ASP A 633 10.637 3.919 -1.398 1.00 0.00 C ATOM 867 O ASP A 633 10.257 4.997 -0.946 1.00 0.00 O ATOM 868 CB ASP A 633 12.568 3.343 -2.883 1.00 0.00 C ATOM 869 CG ASP A 633 12.834 4.705 -3.524 1.00 0.00 C ATOM 870 OD1 ASP A 633 13.939 5.244 -3.287 1.00 0.00 O ATOM 871 OD2 ASP A 633 11.912 5.206 -4.204 1.00 0.00 O ATOM 0 H ASP A 633 12.264 1.455 -1.344 1.00 0.00 H new ATOM 0 HA ASP A 633 12.691 4.315 -0.958 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.473 2.736 -2.911 1.00 0.00 H new ATOM 0 HB3 ASP A 633 11.807 2.807 -3.450 1.00 0.00 H new ATOM 876 N ARG A 634 9.804 2.988 -1.863 1.00 0.00 N ATOM 877 CA ARG A 634 8.389 3.169 -2.103 1.00 0.00 C ATOM 878 C ARG A 634 7.631 3.127 -0.780 1.00 0.00 C ATOM 879 O ARG A 634 6.641 3.842 -0.639 1.00 0.00 O ATOM 880 CB ARG A 634 7.911 2.069 -3.073 1.00 0.00 C ATOM 881 CG ARG A 634 8.602 2.133 -4.452 1.00 0.00 C ATOM 882 CD ARG A 634 8.007 1.143 -5.473 1.00 0.00 C ATOM 883 NE ARG A 634 8.899 1.032 -6.635 1.00 0.00 N ATOM 884 CZ ARG A 634 8.772 0.354 -7.784 1.00 0.00 C ATOM 885 NH1 ARG A 634 7.731 -0.406 -8.128 1.00 0.00 N ATOM 886 NH2 ARG A 634 9.794 0.454 -8.622 1.00 0.00 N ATOM 0 H ARG A 634 10.121 2.046 -2.090 1.00 0.00 H new ATOM 0 HA ARG A 634 8.197 4.141 -2.557 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.097 1.093 -2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 634 6.833 2.157 -3.209 1.00 0.00 H new ATOM 0 HG2 ARG A 634 8.520 3.146 -4.846 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.665 1.924 -4.329 1.00 0.00 H new ATOM 0 HD2 ARG A 634 7.874 0.165 -5.010 1.00 0.00 H new ATOM 0 HD3 ARG A 634 7.021 1.482 -5.791 1.00 0.00 H new ATOM 0 HE ARG A 634 9.766 1.563 -6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 634 6.941 -0.508 -7.491 1.00 0.00 H new ATOM 0 HH12 ARG A 634 7.725 -0.885 -9.028 1.00 0.00 H new ATOM 0 HH21 ARG A 634 10.605 1.019 -8.372 1.00 0.00 H new ATOM 0 HH22 ARG A 634 9.769 -0.035 -9.517 1.00 0.00 H new ATOM 900 N TYR A 635 8.079 2.300 0.181 1.00 0.00 N ATOM 901 CA TYR A 635 7.293 1.968 1.366 1.00 0.00 C ATOM 902 C TYR A 635 8.107 1.974 2.669 1.00 0.00 C ATOM 903 O TYR A 635 7.570 1.622 3.719 1.00 0.00 O ATOM 904 CB TYR A 635 6.585 0.628 1.111 1.00 0.00 C ATOM 905 CG TYR A 635 5.690 0.625 -0.123 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.631 1.549 -0.233 1.00 0.00 C ATOM 907 CD2 TYR A 635 5.950 -0.255 -1.192 1.00 0.00 C ATOM 908 CE1 TYR A 635 3.867 1.624 -1.412 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.171 -0.205 -2.363 1.00 0.00 C ATOM 910 CZ TYR A 635 4.141 0.752 -2.489 1.00 0.00 C ATOM 911 OH TYR A 635 3.388 0.816 -3.623 1.00 0.00 O ATOM 0 H TYR A 635 8.993 1.848 0.152 1.00 0.00 H new ATOM 0 HA TYR A 635 6.551 2.751 1.524 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.337 -0.154 1.004 1.00 0.00 H new ATOM 0 HB3 TYR A 635 5.984 0.375 1.984 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.404 2.205 0.595 1.00 0.00 H new ATOM 0 HD2 TYR A 635 6.753 -0.973 -1.112 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.070 2.349 -1.494 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.362 -0.900 -3.167 1.00 0.00 H new ATOM 0 HH TYR A 635 3.708 0.149 -4.266 1.00 0.00 H new ATOM 921 N ASN A 636 9.373 2.412 2.624 1.00 0.00 N ATOM 922 CA ASN A 636 10.277 2.582 3.772 1.00 0.00 C ATOM 923 C ASN A 636 10.518 1.282 4.563 1.00 0.00 C ATOM 924 O ASN A 636 10.861 1.320 5.745 1.00 0.00 O ATOM 925 CB ASN A 636 9.784 3.752 4.643 1.00 0.00 C ATOM 926 CG ASN A 636 10.841 4.230 5.636 1.00 0.00 C ATOM 927 OD1 ASN A 636 11.883 4.743 5.250 1.00 0.00 O ATOM 928 ND2 ASN A 636 10.587 4.109 6.933 1.00 0.00 N ATOM 0 H ASN A 636 9.817 2.670 1.743 1.00 0.00 H new ATOM 0 HA ASN A 636 11.267 2.836 3.392 1.00 0.00 H new ATOM 0 HB2 ASN A 636 9.494 4.582 3.999 1.00 0.00 H new ATOM 0 HB3 ASN A 636 8.892 3.444 5.188 1.00 0.00 H new ATOM 0 HD21 ASN A 636 11.263 4.445 7.619 1.00 0.00 H new ATOM 0 HD22 ASN A 636 9.716 3.680 7.244 1.00 0.00 H new ATOM 935 N VAL A 637 10.327 0.115 3.940 1.00 0.00 N ATOM 936 CA VAL A 637 10.472 -1.171 4.618 1.00 0.00 C ATOM 937 C VAL A 637 11.963 -1.539 4.636 1.00 0.00 C ATOM 938 O VAL A 637 12.610 -1.566 3.590 1.00 0.00 O ATOM 939 CB VAL A 637 9.579 -2.222 3.930 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.622 -3.557 4.677 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.108 -1.773 3.880 1.00 0.00 C ATOM 0 H VAL A 637 10.069 0.038 2.956 1.00 0.00 H new ATOM 0 HA VAL A 637 10.135 -1.123 5.654 1.00 0.00 H new ATOM 0 HB VAL A 637 9.970 -2.336 2.919 1.00 0.00 H new ATOM 0 HG11 VAL A 637 8.983 -4.279 4.169 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.646 -3.930 4.697 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.268 -3.414 5.698 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.510 -2.540 3.388 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.739 -1.621 4.894 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.031 -0.840 3.322 1.00 0.00 H new ATOM 951 N SER A 638 12.519 -1.792 5.827 1.00 0.00 N ATOM 952 CA SER A 638 13.915 -2.125 6.047 1.00 0.00 C ATOM 953 C SER A 638 14.229 -3.484 5.422 1.00 0.00 C ATOM 954 O SER A 638 13.380 -4.376 5.438 1.00 0.00 O ATOM 955 CB SER A 638 14.169 -2.180 7.559 1.00 0.00 C ATOM 956 OG SER A 638 13.512 -1.119 8.230 1.00 0.00 O ATOM 0 H SER A 638 11.980 -1.767 6.692 1.00 0.00 H new ATOM 0 HA SER A 638 14.554 -1.372 5.587 1.00 0.00 H new ATOM 0 HB2 SER A 638 13.820 -3.134 7.954 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.240 -2.127 7.752 1.00 0.00 H new ATOM 0 HG SER A 638 13.690 -1.180 9.192 1.00 0.00 H new ATOM 962 N GLU A 639 15.467 -3.670 4.953 1.00 0.00 N ATOM 963 CA GLU A 639 15.900 -4.841 4.196 1.00 0.00 C ATOM 964 C GLU A 639 15.598 -6.147 4.930 1.00 0.00 C ATOM 965 O GLU A 639 15.161 -7.106 4.298 1.00 0.00 O ATOM 966 CB GLU A 639 17.397 -4.684 3.873 1.00 0.00 C ATOM 967 CG GLU A 639 18.055 -5.964 3.336 1.00 0.00 C ATOM 968 CD GLU A 639 19.448 -5.684 2.765 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.341 -5.347 3.574 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.600 -5.803 1.528 1.00 0.00 O ATOM 0 H GLU A 639 16.213 -2.989 5.095 1.00 0.00 H new ATOM 0 HA GLU A 639 15.336 -4.899 3.265 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.519 -3.889 3.138 1.00 0.00 H new ATOM 0 HB3 GLU A 639 17.922 -4.368 4.774 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.131 -6.699 4.137 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.425 -6.401 2.561 1.00 0.00 H new ATOM 977 N GLU A 640 15.753 -6.157 6.259 1.00 0.00 N ATOM 978 CA GLU A 640 15.491 -7.335 7.085 1.00 0.00 C ATOM 979 C GLU A 640 14.020 -7.729 6.945 1.00 0.00 C ATOM 980 O GLU A 640 13.677 -8.896 6.760 1.00 0.00 O ATOM 981 CB GLU A 640 15.821 -7.005 8.552 1.00 0.00 C ATOM 982 CG GLU A 640 15.676 -8.214 9.492 1.00 0.00 C ATOM 983 CD GLU A 640 15.464 -7.767 10.940 1.00 0.00 C ATOM 984 OE1 GLU A 640 16.467 -7.434 11.604 1.00 0.00 O ATOM 985 OE2 GLU A 640 14.279 -7.735 11.355 1.00 0.00 O ATOM 0 H GLU A 640 16.065 -5.344 6.791 1.00 0.00 H new ATOM 0 HA GLU A 640 16.113 -8.169 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.841 -6.627 8.612 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.164 -6.206 8.895 1.00 0.00 H new ATOM 0 HG2 GLU A 640 14.835 -8.828 9.171 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.568 -8.837 9.428 1.00 0.00 H new ATOM 992 N LYS A 641 13.146 -6.723 7.022 1.00 0.00 N ATOM 993 CA LYS A 641 11.714 -6.908 6.948 1.00 0.00 C ATOM 994 C LYS A 641 11.328 -7.295 5.533 1.00 0.00 C ATOM 995 O LYS A 641 10.522 -8.200 5.378 1.00 0.00 O ATOM 996 CB LYS A 641 10.988 -5.633 7.409 1.00 0.00 C ATOM 997 CG LYS A 641 9.882 -5.919 8.433 1.00 0.00 C ATOM 998 CD LYS A 641 10.374 -5.581 9.838 1.00 0.00 C ATOM 999 CE LYS A 641 11.735 -6.215 10.153 1.00 0.00 C ATOM 1000 NZ LYS A 641 11.673 -7.386 11.046 1.00 0.00 N ATOM 0 H LYS A 641 13.427 -5.749 7.139 1.00 0.00 H new ATOM 0 HA LYS A 641 11.411 -7.714 7.616 1.00 0.00 H new ATOM 0 HB2 LYS A 641 11.712 -4.945 7.845 1.00 0.00 H new ATOM 0 HB3 LYS A 641 10.555 -5.133 6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 641 8.995 -5.330 8.197 1.00 0.00 H new ATOM 0 HG3 LYS A 641 9.591 -6.968 8.383 1.00 0.00 H new ATOM 0 HD2 LYS A 641 10.448 -4.499 9.943 1.00 0.00 H new ATOM 0 HD3 LYS A 641 9.640 -5.922 10.568 1.00 0.00 H new ATOM 0 HE2 LYS A 641 12.208 -6.513 9.217 1.00 0.00 H new ATOM 0 HE3 LYS A 641 12.376 -5.460 10.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 12.607 -7.545 11.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 10.972 -7.215 11.795 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 11.397 -8.226 10.498 1.00 0.00 H new ATOM 1014 N VAL A 642 11.900 -6.668 4.500 1.00 0.00 N ATOM 1015 CA VAL A 642 11.581 -7.077 3.139 1.00 0.00 C ATOM 1016 C VAL A 642 11.980 -8.538 2.980 1.00 0.00 C ATOM 1017 O VAL A 642 11.137 -9.323 2.561 1.00 0.00 O ATOM 1018 CB VAL A 642 12.196 -6.182 2.043 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.518 -6.538 0.711 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.964 -4.687 2.270 1.00 0.00 C ATOM 0 H VAL A 642 12.566 -5.899 4.580 1.00 0.00 H new ATOM 0 HA VAL A 642 10.508 -6.957 2.993 1.00 0.00 H new ATOM 0 HB VAL A 642 13.271 -6.361 2.052 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.933 -5.920 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.693 -7.589 0.483 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.446 -6.358 0.789 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.424 -4.120 1.461 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.893 -4.484 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.409 -4.390 3.220 1.00 0.00 H new ATOM 1030 N GLU A 643 13.191 -8.927 3.395 1.00 0.00 N ATOM 1031 CA GLU A 643 13.598 -10.321 3.325 1.00 0.00 C ATOM 1032 C GLU A 643 12.627 -11.237 4.071 1.00 0.00 C ATOM 1033 O GLU A 643 12.308 -12.316 3.576 1.00 0.00 O ATOM 1034 CB GLU A 643 15.049 -10.511 3.803 1.00 0.00 C ATOM 1035 CG GLU A 643 16.003 -10.637 2.608 1.00 0.00 C ATOM 1036 CD GLU A 643 15.798 -11.977 1.885 1.00 0.00 C ATOM 1037 OE1 GLU A 643 16.289 -13.003 2.411 1.00 0.00 O ATOM 1038 OE2 GLU A 643 15.115 -11.966 0.837 1.00 0.00 O ATOM 0 H GLU A 643 13.896 -8.297 3.778 1.00 0.00 H new ATOM 0 HA GLU A 643 13.564 -10.614 2.276 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.346 -9.666 4.424 1.00 0.00 H new ATOM 0 HB3 GLU A 643 15.118 -11.403 4.425 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.834 -9.814 1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 643 17.035 -10.558 2.951 1.00 0.00 H new ATOM 1045 N GLU A 644 12.087 -10.812 5.215 1.00 0.00 N ATOM 1046 CA GLU A 644 11.109 -11.626 5.923 1.00 0.00 C ATOM 1047 C GLU A 644 9.814 -11.772 5.122 1.00 0.00 C ATOM 1048 O GLU A 644 9.317 -12.892 4.995 1.00 0.00 O ATOM 1049 CB GLU A 644 10.902 -11.184 7.378 1.00 0.00 C ATOM 1050 CG GLU A 644 9.628 -10.392 7.706 1.00 0.00 C ATOM 1051 CD GLU A 644 9.520 -10.053 9.195 1.00 0.00 C ATOM 1052 OE1 GLU A 644 10.303 -9.187 9.655 1.00 0.00 O ATOM 1053 OE2 GLU A 644 8.635 -10.631 9.860 1.00 0.00 O ATOM 0 H GLU A 644 12.309 -9.922 5.662 1.00 0.00 H new ATOM 0 HA GLU A 644 11.523 -12.631 6.006 1.00 0.00 H new ATOM 0 HB2 GLU A 644 10.914 -12.076 8.005 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.759 -10.577 7.670 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.616 -9.470 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.755 -10.971 7.403 1.00 0.00 H new ATOM 1060 N LEU A 645 9.306 -10.680 4.529 1.00 0.00 N ATOM 1061 CA LEU A 645 8.148 -10.724 3.633 1.00 0.00 C ATOM 1062 C LEU A 645 8.416 -11.733 2.520 1.00 0.00 C ATOM 1063 O LEU A 645 7.563 -12.573 2.228 1.00 0.00 O ATOM 1064 CB LEU A 645 7.782 -9.339 3.065 1.00 0.00 C ATOM 1065 CG LEU A 645 7.482 -8.255 4.120 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.459 -6.876 3.455 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.182 -8.496 4.888 1.00 0.00 C ATOM 0 H LEU A 645 9.689 -9.744 4.660 1.00 0.00 H new ATOM 0 HA LEU A 645 7.281 -11.042 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.602 -8.994 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.910 -9.447 2.420 1.00 0.00 H new ATOM 0 HG LEU A 645 8.284 -8.303 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.247 -6.114 4.205 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.428 -6.676 2.999 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.685 -6.855 2.687 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.034 -7.696 5.613 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.345 -8.513 4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.239 -9.452 5.409 1.00 0.00 H new ATOM 1079 N ILE A 646 9.622 -11.684 1.947 1.00 0.00 N ATOM 1080 CA ILE A 646 10.065 -12.593 0.907 1.00 0.00 C ATOM 1081 C ILE A 646 9.970 -14.032 1.415 1.00 0.00 C ATOM 1082 O ILE A 646 9.412 -14.868 0.708 1.00 0.00 O ATOM 1083 CB ILE A 646 11.466 -12.173 0.390 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.340 -10.780 -0.257 1.00 0.00 C ATOM 1085 CG2 ILE A 646 12.023 -13.206 -0.602 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.644 -10.085 -0.663 1.00 0.00 C ATOM 0 H ILE A 646 10.327 -10.993 2.205 1.00 0.00 H new ATOM 0 HA ILE A 646 9.413 -12.540 0.035 1.00 0.00 H new ATOM 0 HB ILE A 646 12.171 -12.129 1.220 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.714 -10.873 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.811 -10.129 0.439 1.00 0.00 H new ATOM 0 HG21 ILE A 646 13.006 -12.885 -0.948 1.00 0.00 H new ATOM 0 HG22 ILE A 646 12.110 -14.174 -0.109 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.349 -13.292 -1.454 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.417 -9.115 -1.105 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.271 -9.945 0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.173 -10.700 -1.391 1.00 0.00 H new ATOM 1098 N ARG A 647 10.442 -14.346 2.632 1.00 0.00 N ATOM 1099 CA ARG A 647 10.414 -15.745 3.085 1.00 0.00 C ATOM 1100 C ARG A 647 8.986 -16.177 3.318 1.00 0.00 C ATOM 1101 O ARG A 647 8.589 -17.232 2.839 1.00 0.00 O ATOM 1102 CB ARG A 647 11.218 -16.000 4.378 1.00 0.00 C ATOM 1103 CG ARG A 647 12.579 -15.305 4.386 1.00 0.00 C ATOM 1104 CD ARG A 647 13.666 -15.970 5.235 1.00 0.00 C ATOM 1105 NE ARG A 647 14.012 -17.326 4.773 1.00 0.00 N ATOM 1106 CZ ARG A 647 15.170 -17.963 5.002 1.00 0.00 C ATOM 1107 NH1 ARG A 647 16.175 -17.351 5.630 1.00 0.00 N ATOM 1108 NH2 ARG A 647 15.319 -19.227 4.602 1.00 0.00 N ATOM 0 H ARG A 647 10.833 -13.679 3.297 1.00 0.00 H new ATOM 0 HA ARG A 647 10.885 -16.325 2.291 1.00 0.00 H new ATOM 0 HB2 ARG A 647 10.637 -15.657 5.234 1.00 0.00 H new ATOM 0 HB3 ARG A 647 11.364 -17.073 4.502 1.00 0.00 H new ATOM 0 HG2 ARG A 647 12.937 -15.239 3.359 1.00 0.00 H new ATOM 0 HG3 ARG A 647 12.442 -14.284 4.742 1.00 0.00 H new ATOM 0 HD2 ARG A 647 14.561 -15.348 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 647 13.330 -16.020 6.271 1.00 0.00 H new ATOM 0 HE ARG A 647 13.307 -17.825 4.230 1.00 0.00 H new ATOM 0 HH11 ARG A 647 16.069 -16.386 5.943 1.00 0.00 H new ATOM 0 HH12 ARG A 647 17.050 -17.848 5.797 1.00 0.00 H new ATOM 0 HH21 ARG A 647 14.554 -19.704 4.125 1.00 0.00 H new ATOM 0 HH22 ARG A 647 16.198 -19.716 4.774 1.00 0.00 H new ATOM 1122 N ILE A 648 8.226 -15.357 4.037 1.00 0.00 N ATOM 1123 CA ILE A 648 6.848 -15.659 4.413 1.00 0.00 C ATOM 1124 C ILE A 648 6.061 -16.002 3.152 1.00 0.00 C ATOM 1125 O ILE A 648 5.533 -17.108 3.042 1.00 0.00 O ATOM 1126 CB ILE A 648 6.241 -14.489 5.210 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.979 -14.370 6.568 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.737 -14.668 5.471 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.775 -13.029 7.271 1.00 0.00 C ATOM 0 H ILE A 648 8.553 -14.453 4.379 1.00 0.00 H new ATOM 0 HA ILE A 648 6.808 -16.524 5.074 1.00 0.00 H new ATOM 0 HB ILE A 648 6.364 -13.586 4.613 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.638 -15.169 7.226 1.00 0.00 H new ATOM 0 HG13 ILE A 648 8.046 -14.524 6.405 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.362 -13.815 6.036 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.208 -14.735 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.573 -15.582 6.042 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.323 -13.025 8.213 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.143 -12.225 6.634 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.713 -12.879 7.468 1.00 0.00 H new ATOM 1141 N LEU A 649 5.988 -15.091 2.175 1.00 0.00 N ATOM 1142 CA LEU A 649 5.192 -15.383 0.995 1.00 0.00 C ATOM 1143 C LEU A 649 5.750 -16.570 0.179 1.00 0.00 C ATOM 1144 O LEU A 649 4.984 -17.238 -0.522 1.00 0.00 O ATOM 1145 CB LEU A 649 5.014 -14.132 0.121 1.00 0.00 C ATOM 1146 CG LEU A 649 4.011 -13.110 0.680 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.646 -12.079 1.610 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.342 -12.362 -0.481 1.00 0.00 C ATOM 0 H LEU A 649 6.453 -14.183 2.180 1.00 0.00 H new ATOM 0 HA LEU A 649 4.208 -15.689 1.349 1.00 0.00 H new ATOM 0 HB2 LEU A 649 5.982 -13.646 0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.687 -14.440 -0.872 1.00 0.00 H new ATOM 0 HG LEU A 649 3.288 -13.679 1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.880 -11.390 1.967 1.00 0.00 H new ATOM 0 HD12 LEU A 649 5.101 -12.587 2.460 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.411 -11.522 1.068 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.631 -11.637 -0.085 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.102 -11.843 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.818 -13.074 -1.118 1.00 0.00 H new ATOM 1160 N LYS A 650 7.059 -16.852 0.274 1.00 0.00 N ATOM 1161 CA LYS A 650 7.697 -18.001 -0.397 1.00 0.00 C ATOM 1162 C LYS A 650 7.226 -19.300 0.241 1.00 0.00 C ATOM 1163 O LYS A 650 6.880 -20.263 -0.435 1.00 0.00 O ATOM 1164 CB LYS A 650 9.243 -17.928 -0.392 1.00 0.00 C ATOM 1165 CG LYS A 650 9.791 -17.014 -1.500 1.00 0.00 C ATOM 1166 CD LYS A 650 11.260 -16.606 -1.359 1.00 0.00 C ATOM 1167 CE LYS A 650 12.266 -17.751 -1.471 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.653 -17.266 -1.266 1.00 0.00 N ATOM 0 H LYS A 650 7.710 -16.288 0.821 1.00 0.00 H new ATOM 0 HA LYS A 650 7.391 -17.968 -1.443 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.583 -17.564 0.577 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.652 -18.931 -0.517 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.664 -17.519 -2.458 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.183 -16.110 -1.533 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.490 -15.865 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.394 -16.119 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 650 12.033 -18.518 -0.732 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.182 -18.218 -2.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.325 -18.021 -1.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.824 -16.438 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.783 -16.998 -0.270 1.00 0.00 H new ATOM 1182 N ASP A 651 7.186 -19.279 1.563 1.00 0.00 N ATOM 1183 CA ASP A 651 6.852 -20.380 2.464 1.00 0.00 C ATOM 1184 C ASP A 651 5.392 -20.773 2.293 1.00 0.00 C ATOM 1185 O ASP A 651 5.040 -21.949 2.248 1.00 0.00 O ATOM 1186 CB ASP A 651 7.101 -19.919 3.902 1.00 0.00 C ATOM 1187 CG ASP A 651 6.955 -21.059 4.905 1.00 0.00 C ATOM 1188 OD1 ASP A 651 7.861 -21.921 4.918 1.00 0.00 O ATOM 1189 OD2 ASP A 651 5.957 -21.028 5.659 1.00 0.00 O ATOM 0 H ASP A 651 7.403 -18.426 2.079 1.00 0.00 H new ATOM 0 HA ASP A 651 7.471 -21.247 2.235 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.103 -19.496 3.978 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.399 -19.124 4.154 1.00 0.00 H new ATOM 1194 N LYS A 652 4.550 -19.754 2.113 1.00 0.00 N ATOM 1195 CA LYS A 652 3.137 -19.907 1.797 1.00 0.00 C ATOM 1196 C LYS A 652 2.913 -20.455 0.389 1.00 0.00 C ATOM 1197 O LYS A 652 1.777 -20.799 0.068 1.00 0.00 O ATOM 1198 CB LYS A 652 2.469 -18.537 1.959 1.00 0.00 C ATOM 1199 CG LYS A 652 2.240 -18.226 3.446 1.00 0.00 C ATOM 1200 CD LYS A 652 2.547 -16.772 3.815 1.00 0.00 C ATOM 1201 CE LYS A 652 1.511 -16.172 4.772 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.501 -16.869 6.079 1.00 0.00 N ATOM 0 H LYS A 652 4.842 -18.779 2.185 1.00 0.00 H new ATOM 0 HA LYS A 652 2.696 -20.635 2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.095 -17.765 1.512 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.518 -18.524 1.427 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.204 -18.447 3.701 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.864 -18.886 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.534 -16.719 4.275 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.586 -16.172 2.906 1.00 0.00 H new ATOM 0 HE2 LYS A 652 1.727 -15.115 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 652 0.521 -16.232 4.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 0.788 -16.435 6.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 1.270 -17.873 5.935 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 2.439 -16.790 6.522 1.00 0.00 H new ATOM 1216 N GLY A 653 3.947 -20.493 -0.462 1.00 0.00 N ATOM 1217 CA GLY A 653 3.780 -20.781 -1.875 1.00 0.00 C ATOM 1218 C GLY A 653 2.902 -19.730 -2.551 1.00 0.00 C ATOM 1219 O GLY A 653 2.256 -20.041 -3.545 1.00 0.00 O ATOM 0 H GLY A 653 4.914 -20.325 -0.183 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.755 -20.811 -2.361 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.332 -21.767 -1.998 1.00 0.00 H new ATOM 1223 N ALA A 654 2.847 -18.502 -2.013 1.00 0.00 N ATOM 1224 CA ALA A 654 2.255 -17.370 -2.711 1.00 0.00 C ATOM 1225 C ALA A 654 3.227 -16.865 -3.775 1.00 0.00 C ATOM 1226 O ALA A 654 2.804 -16.419 -4.844 1.00 0.00 O ATOM 1227 CB ALA A 654 1.936 -16.252 -1.718 1.00 0.00 C ATOM 0 H ALA A 654 3.211 -18.275 -1.088 1.00 0.00 H new ATOM 0 HA ALA A 654 1.329 -17.686 -3.191 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.493 -15.409 -2.249 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.233 -16.619 -0.970 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.854 -15.930 -1.226 1.00 0.00 H new ATOM 1233 N ILE A 655 4.531 -16.942 -3.484 1.00 0.00 N ATOM 1234 CA ILE A 655 5.580 -16.569 -4.421 1.00 0.00 C ATOM 1235 C ILE A 655 6.663 -17.637 -4.385 1.00 0.00 C ATOM 1236 O ILE A 655 6.572 -18.616 -3.640 1.00 0.00 O ATOM 1237 CB ILE A 655 6.127 -15.159 -4.109 1.00 0.00 C ATOM 1238 CG1 ILE A 655 6.864 -15.124 -2.765 1.00 0.00 C ATOM 1239 CG2 ILE A 655 4.980 -14.151 -4.144 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.594 -13.813 -2.488 1.00 0.00 C ATOM 0 H ILE A 655 4.883 -17.268 -2.584 1.00 0.00 H new ATOM 0 HA ILE A 655 5.178 -16.516 -5.433 1.00 0.00 H new ATOM 0 HB ILE A 655 6.858 -14.890 -4.872 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.146 -15.304 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.584 -15.941 -2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.364 -13.155 -3.924 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.524 -14.153 -5.134 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.233 -14.424 -3.399 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.089 -13.870 -1.519 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.338 -13.639 -3.266 1.00 0.00 H new ATOM 0 HD13 ILE A 655 6.877 -12.992 -2.482 1.00 0.00 H new ATOM 1252 N PHE A 656 7.707 -17.421 -5.174 1.00 0.00 N ATOM 1253 CA PHE A 656 8.859 -18.280 -5.240 1.00 0.00 C ATOM 1254 C PHE A 656 10.078 -17.476 -5.659 1.00 0.00 C ATOM 1255 O PHE A 656 9.948 -16.322 -6.064 1.00 0.00 O ATOM 1256 CB PHE A 656 8.564 -19.400 -6.234 1.00 0.00 C ATOM 1257 CG PHE A 656 9.260 -20.675 -5.832 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.810 -21.377 -4.698 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.406 -21.095 -6.525 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.514 -22.514 -4.263 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.112 -22.228 -6.085 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.664 -22.939 -4.956 1.00 0.00 C ATOM 0 H PHE A 656 7.768 -16.618 -5.800 1.00 0.00 H new ATOM 0 HA PHE A 656 9.071 -18.715 -4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.489 -19.570 -6.288 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.890 -19.102 -7.231 1.00 0.00 H new ATOM 0 HD1 PHE A 656 7.931 -21.045 -4.166 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.744 -20.549 -7.394 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.173 -23.062 -3.397 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.997 -22.552 -6.612 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.203 -23.812 -4.620 1.00 0.00 H new ATOM 1272 N GLU A 657 11.247 -18.116 -5.608 1.00 0.00 N ATOM 1273 CA GLU A 657 12.514 -17.575 -6.070 1.00 0.00 C ATOM 1274 C GLU A 657 13.087 -18.561 -7.095 1.00 0.00 C ATOM 1275 O GLU A 657 13.887 -19.423 -6.733 1.00 0.00 O ATOM 1276 CB GLU A 657 13.410 -17.301 -4.853 1.00 0.00 C ATOM 1277 CG GLU A 657 14.699 -16.533 -5.199 1.00 0.00 C ATOM 1278 CD GLU A 657 14.997 -15.400 -4.211 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.833 -15.652 -2.993 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.341 -14.288 -4.681 1.00 0.00 O ATOM 0 H GLU A 657 11.334 -19.059 -5.229 1.00 0.00 H new ATOM 0 HA GLU A 657 12.416 -16.615 -6.577 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.844 -16.731 -4.116 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.676 -18.250 -4.387 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.539 -17.228 -5.212 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.612 -16.120 -6.204 1.00 0.00 H new ATOM 1287 N PRO A 658 12.630 -18.513 -8.363 1.00 0.00 N ATOM 1288 CA PRO A 658 13.028 -19.469 -9.400 1.00 0.00 C ATOM 1289 C PRO A 658 14.504 -19.387 -9.806 1.00 0.00 C ATOM 1290 O PRO A 658 15.013 -20.327 -10.414 1.00 0.00 O ATOM 1291 CB PRO A 658 12.134 -19.171 -10.601 1.00 0.00 C ATOM 1292 CG PRO A 658 11.740 -17.720 -10.390 1.00 0.00 C ATOM 1293 CD PRO A 658 11.582 -17.648 -8.885 1.00 0.00 C ATOM 0 HA PRO A 658 12.909 -20.481 -9.014 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.665 -19.311 -11.543 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.262 -19.825 -10.626 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.505 -17.033 -10.753 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.815 -17.469 -10.909 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.695 -16.626 -8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.595 -17.989 -8.573 1.00 0.00 H new ATOM 1301 N ALA A 659 15.185 -18.276 -9.504 1.00 0.00 N ATOM 1302 CA ALA A 659 16.618 -18.117 -9.747 1.00 0.00 C ATOM 1303 C ALA A 659 17.296 -17.348 -8.610 1.00 0.00 C ATOM 1304 O ALA A 659 16.682 -17.044 -7.594 1.00 0.00 O ATOM 1305 CB ALA A 659 16.862 -17.456 -11.108 1.00 0.00 C ATOM 0 H ALA A 659 14.750 -17.456 -9.080 1.00 0.00 H new ATOM 0 HA ALA A 659 17.072 -19.108 -9.772 1.00 0.00 H new ATOM 0 HB1 ALA A 659 17.934 -17.346 -11.272 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.437 -18.078 -11.896 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.389 -16.474 -11.126 1.00 0.00 H new ATOM 1311 N ARG A 660 18.581 -17.024 -8.791 1.00 0.00 N ATOM 1312 CA ARG A 660 19.553 -16.645 -7.750 1.00 0.00 C ATOM 1313 C ARG A 660 19.342 -15.249 -7.139 1.00 0.00 C ATOM 1314 O ARG A 660 20.269 -14.674 -6.574 1.00 0.00 O ATOM 1315 CB ARG A 660 20.980 -16.808 -8.310 1.00 0.00 C ATOM 1316 CG ARG A 660 21.330 -15.802 -9.422 1.00 0.00 C ATOM 1317 CD ARG A 660 22.795 -15.964 -9.829 1.00 0.00 C ATOM 1318 NE ARG A 660 23.185 -14.974 -10.848 1.00 0.00 N ATOM 1319 CZ ARG A 660 24.389 -14.869 -11.428 1.00 0.00 C ATOM 1320 NH1 ARG A 660 25.373 -15.714 -11.115 1.00 0.00 N ATOM 1321 NH2 ARG A 660 24.609 -13.909 -12.327 1.00 0.00 N ATOM 0 H ARG A 660 18.999 -17.018 -9.722 1.00 0.00 H new ATOM 0 HA ARG A 660 19.392 -17.323 -6.912 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.695 -16.697 -7.495 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.094 -17.820 -8.699 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.684 -15.962 -10.285 1.00 0.00 H new ATOM 0 HG3 ARG A 660 21.151 -14.785 -9.074 1.00 0.00 H new ATOM 0 HD2 ARG A 660 23.432 -15.854 -8.951 1.00 0.00 H new ATOM 0 HD3 ARG A 660 22.957 -16.970 -10.217 1.00 0.00 H new ATOM 0 HE ARG A 660 22.472 -14.306 -11.140 1.00 0.00 H new ATOM 0 HH11 ARG A 660 25.214 -16.450 -10.427 1.00 0.00 H new ATOM 0 HH12 ARG A 660 26.285 -15.624 -11.563 1.00 0.00 H new ATOM 0 HH21 ARG A 660 23.863 -13.258 -12.571 1.00 0.00 H new ATOM 0 HH22 ARG A 660 25.524 -13.826 -12.771 1.00 0.00 H new ATOM 1335 N GLY A 661 18.154 -14.685 -7.318 1.00 0.00 N ATOM 1336 CA GLY A 661 17.793 -13.318 -6.990 1.00 0.00 C ATOM 1337 C GLY A 661 16.719 -12.805 -7.942 1.00 0.00 C ATOM 1338 O GLY A 661 16.764 -11.642 -8.338 1.00 0.00 O ATOM 0 H GLY A 661 17.373 -15.203 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.431 -13.268 -5.963 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.674 -12.679 -7.049 1.00 0.00 H new ATOM 1342 N TYR A 662 15.778 -13.672 -8.333 1.00 0.00 N ATOM 1343 CA TYR A 662 14.617 -13.367 -9.154 1.00 0.00 C ATOM 1344 C TYR A 662 13.451 -14.042 -8.436 1.00 0.00 C ATOM 1345 O TYR A 662 13.474 -15.263 -8.306 1.00 0.00 O ATOM 1346 CB TYR A 662 14.855 -13.820 -10.625 1.00 0.00 C ATOM 1347 CG TYR A 662 13.750 -14.511 -11.410 1.00 0.00 C ATOM 1348 CD1 TYR A 662 12.419 -14.097 -11.275 1.00 0.00 C ATOM 1349 CD2 TYR A 662 14.060 -15.527 -12.339 1.00 0.00 C ATOM 1350 CE1 TYR A 662 11.395 -14.710 -12.008 1.00 0.00 C ATOM 1351 CE2 TYR A 662 13.046 -16.126 -13.111 1.00 0.00 C ATOM 1352 CZ TYR A 662 11.707 -15.702 -12.959 1.00 0.00 C ATOM 1353 OH TYR A 662 10.740 -16.147 -13.802 1.00 0.00 O ATOM 0 H TYR A 662 15.815 -14.656 -8.067 1.00 0.00 H new ATOM 0 HA TYR A 662 14.405 -12.303 -9.256 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.146 -12.935 -11.191 1.00 0.00 H new ATOM 0 HB3 TYR A 662 15.714 -14.491 -10.620 1.00 0.00 H new ATOM 0 HD1 TYR A 662 12.179 -13.293 -10.595 1.00 0.00 H new ATOM 0 HD2 TYR A 662 15.084 -15.848 -12.459 1.00 0.00 H new ATOM 0 HE1 TYR A 662 10.367 -14.423 -11.844 1.00 0.00 H new ATOM 0 HE2 TYR A 662 13.291 -16.906 -13.816 1.00 0.00 H new ATOM 0 HH TYR A 662 10.159 -15.400 -14.056 1.00 0.00 H new ATOM 1363 N LEU A 663 12.473 -13.254 -7.961 1.00 0.00 N ATOM 1364 CA LEU A 663 11.201 -13.721 -7.419 1.00 0.00 C ATOM 1365 C LEU A 663 10.130 -13.820 -8.503 1.00 0.00 C ATOM 1366 O LEU A 663 10.139 -13.073 -9.482 1.00 0.00 O ATOM 1367 CB LEU A 663 10.662 -12.786 -6.317 1.00 0.00 C ATOM 1368 CG LEU A 663 11.511 -12.699 -5.041 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.768 -11.892 -3.971 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.850 -14.074 -4.457 1.00 0.00 C ATOM 0 H LEU A 663 12.556 -12.238 -7.946 1.00 0.00 H new ATOM 0 HA LEU A 663 11.406 -14.706 -7.000 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.563 -11.784 -6.734 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.661 -13.118 -6.043 1.00 0.00 H new ATOM 0 HG LEU A 663 12.443 -12.211 -5.324 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.378 -11.835 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.576 -10.886 -4.343 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.821 -12.380 -3.739 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.451 -13.949 -3.557 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.929 -14.601 -4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.411 -14.653 -5.191 1.00 0.00 H new ATOM 1382 N LYS A 664 9.161 -14.703 -8.266 1.00 0.00 N ATOM 1383 CA LYS A 664 8.029 -14.978 -9.138 1.00 0.00 C ATOM 1384 C LYS A 664 6.784 -15.145 -8.287 1.00 0.00 C ATOM 1385 O LYS A 664 6.866 -15.738 -7.213 1.00 0.00 O ATOM 1386 CB LYS A 664 8.359 -16.250 -9.939 1.00 0.00 C ATOM 1387 CG LYS A 664 7.169 -16.798 -10.723 1.00 0.00 C ATOM 1388 CD LYS A 664 7.442 -18.141 -11.406 1.00 0.00 C ATOM 1389 CE LYS A 664 6.279 -18.469 -12.360 1.00 0.00 C ATOM 1390 NZ LYS A 664 4.974 -18.543 -11.658 1.00 0.00 N ATOM 0 H LYS A 664 9.147 -15.271 -7.419 1.00 0.00 H new ATOM 0 HA LYS A 664 7.842 -14.162 -9.836 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.172 -16.034 -10.632 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.719 -17.018 -9.255 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.322 -16.911 -10.047 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.878 -16.069 -11.479 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.380 -18.097 -11.959 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.548 -18.928 -10.659 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.227 -17.709 -13.139 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.476 -19.420 -12.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.221 -18.749 -12.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.007 -19.298 -10.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 4.778 -17.634 -11.193 1.00 0.00 H new ATOM 1404 N ILE A 665 5.637 -14.671 -8.775 1.00 0.00 N ATOM 1405 CA ILE A 665 4.344 -14.994 -8.188 1.00 0.00 C ATOM 1406 C ILE A 665 3.978 -16.407 -8.631 1.00 0.00 C ATOM 1407 O ILE A 665 4.027 -16.700 -9.829 1.00 0.00 O ATOM 1408 CB ILE A 665 3.273 -13.952 -8.555 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.747 -12.600 -8.002 1.00 0.00 C ATOM 1410 CG2 ILE A 665 1.906 -14.337 -7.965 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.766 -11.457 -8.196 1.00 0.00 C ATOM 0 H ILE A 665 5.582 -14.055 -9.586 1.00 0.00 H new ATOM 0 HA ILE A 665 4.400 -14.962 -7.100 1.00 0.00 H new ATOM 0 HB ILE A 665 3.146 -13.900 -9.636 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.950 -12.710 -6.937 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.690 -12.337 -8.481 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.167 -13.584 -8.239 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.600 -15.306 -8.358 1.00 0.00 H new ATOM 0 HG23 ILE A 665 1.981 -14.393 -6.879 1.00 0.00 H new ATOM 0 HD11 ILE A 665 3.185 -10.543 -7.775 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.580 -11.314 -9.260 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.829 -11.692 -7.692 1.00 0.00 H new ATOM 1423 N VAL A 666 3.632 -17.232 -7.635 1.00 0.00 N ATOM 1424 CA VAL A 666 3.647 -18.691 -7.635 1.00 0.00 C ATOM 1425 C VAL A 666 3.841 -19.357 -8.999 1.00 0.00 C ATOM 1426 O VAL A 666 2.896 -19.433 -9.812 1.00 0.00 O ATOM 1427 CB VAL A 666 2.554 -19.287 -6.727 1.00 0.00 C ATOM 1428 CG1 VAL A 666 1.127 -18.864 -7.097 1.00 0.00 C ATOM 1429 CG2 VAL A 666 2.665 -20.818 -6.656 1.00 0.00 C ATOM 1430 OXT VAL A 666 5.004 -19.725 -9.284 1.00 0.00 O ATOM 0 H VAL A 666 3.310 -16.863 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 666 4.585 -18.973 -7.157 1.00 0.00 H new ATOM 0 HB VAL A 666 2.742 -18.867 -5.739 1.00 0.00 H new ATOM 0 HG11 VAL A 666 0.420 -19.327 -6.409 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.040 -17.779 -7.031 1.00 0.00 H new ATOM 0 HG13 VAL A 666 0.905 -19.184 -8.115 1.00 0.00 H new ATOM 0 HG21 VAL A 666 1.881 -21.210 -6.008 1.00 0.00 H new ATOM 0 HG22 VAL A 666 2.553 -21.238 -7.656 1.00 0.00 H new ATOM 0 HG23 VAL A 666 3.640 -21.094 -6.254 1.00 0.00 H new