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+ 129:sc= 1.29 (180deg=0.411) USER MOD Single : A 612 LYS NZ :NH3+ -153:sc= -0.211 (180deg=-0.442) USER MOD Single : A 614 TYR OH : rot -142:sc= 0.942 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot -144:sc= 0.732 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 629 THR OG1 : rot 102:sc= 1.23 USER MOD Single : A 631 MET CE :methyl -156:sc= -0.409 (180deg=-1.58) USER MOD Single : A 632 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 1.12 K(o=1.1,f=-0.12) USER MOD Single : A 638 SER OG : rot 180:sc= 0.00939 USER MOD Single : A 641 LYS NZ :NH3+ 129:sc= 2.38 (180deg=1.8) USER MOD Single : A 650 LYS NZ :NH3+ 163:sc= 1.26 (180deg=1.07) USER MOD Single : A 652 LYS NZ :NH3+ 141:sc= -0.0368 (180deg=-2.06!) USER MOD Single : A 662 TYR OH : rot 29:sc= 1.25 USER MOD Single : A 664 LYS NZ :NH3+ 168:sc= 1.67 (180deg=1.2) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -4.340 -2.667 2.512 1.00 0.00 N ATOM 325 CA ARG A 601 -3.041 -3.098 2.013 1.00 0.00 C ATOM 326 C ARG A 601 -2.340 -3.850 3.138 1.00 0.00 C ATOM 327 O ARG A 601 -2.816 -3.856 4.273 1.00 0.00 O ATOM 328 CB ARG A 601 -2.233 -1.891 1.488 1.00 0.00 C ATOM 329 CG ARG A 601 -1.868 -0.817 2.531 1.00 0.00 C ATOM 330 CD ARG A 601 -0.546 -1.107 3.259 1.00 0.00 C ATOM 331 NE ARG A 601 -0.176 0.001 4.154 1.00 0.00 N ATOM 332 CZ ARG A 601 0.899 0.046 4.954 1.00 0.00 C ATOM 333 NH1 ARG A 601 1.751 -0.980 5.007 1.00 0.00 N ATOM 334 NH2 ARG A 601 1.123 1.127 5.702 1.00 0.00 N ATOM 0 HA ARG A 601 -3.146 -3.770 1.161 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.311 -2.263 1.041 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.805 -1.416 0.691 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.798 0.152 2.037 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.671 -0.744 3.264 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.640 -2.027 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.247 -1.268 2.528 1.00 0.00 H new ATOM 0 HE ARG A 601 -0.796 0.811 4.167 1.00 0.00 H new ATOM 0 HH11 ARG A 601 1.587 -1.809 4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 601 2.566 -0.935 5.619 1.00 0.00 H new ATOM 0 HH21 ARG A 601 0.478 1.916 5.664 1.00 0.00 H new ATOM 0 HH22 ARG A 601 1.940 1.165 6.312 1.00 0.00 H new ATOM 348 N ASP A 602 -1.191 -4.447 2.833 1.00 0.00 N ATOM 349 CA ASP A 602 -0.363 -5.188 3.772 1.00 0.00 C ATOM 350 C ASP A 602 1.068 -5.087 3.288 1.00 0.00 C ATOM 351 O ASP A 602 1.256 -4.947 2.086 1.00 0.00 O ATOM 352 CB ASP A 602 -0.828 -6.656 3.776 1.00 0.00 C ATOM 353 CG ASP A 602 -0.275 -7.516 4.915 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.955 -7.449 5.143 1.00 0.00 O ATOM 355 OD2 ASP A 602 -1.074 -8.287 5.482 1.00 0.00 O ATOM 0 H ASP A 602 -0.800 -4.426 1.891 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.441 -4.791 4.784 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.917 -6.675 3.825 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.544 -7.112 2.828 1.00 0.00 H new ATOM 360 N LYS A 603 2.063 -5.248 4.165 1.00 0.00 N ATOM 361 CA LYS A 603 3.442 -5.477 3.745 1.00 0.00 C ATOM 362 C LYS A 603 3.475 -6.593 2.692 1.00 0.00 C ATOM 363 O LYS A 603 4.153 -6.457 1.675 1.00 0.00 O ATOM 364 CB LYS A 603 4.312 -5.928 4.924 1.00 0.00 C ATOM 365 CG LYS A 603 4.389 -5.082 6.203 1.00 0.00 C ATOM 366 CD LYS A 603 5.367 -5.837 7.127 1.00 0.00 C ATOM 367 CE LYS A 603 5.548 -5.302 8.545 1.00 0.00 C ATOM 368 NZ LYS A 603 6.281 -6.295 9.369 1.00 0.00 N ATOM 0 H LYS A 603 1.934 -5.223 5.177 1.00 0.00 H new ATOM 0 HA LYS A 603 3.828 -4.540 3.343 1.00 0.00 H new ATOM 0 HB2 LYS A 603 3.970 -6.921 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.330 -6.039 4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 603 4.747 -4.075 5.989 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.408 -4.979 6.667 1.00 0.00 H new ATOM 0 HD2 LYS A 603 5.033 -6.872 7.198 1.00 0.00 H new ATOM 0 HD3 LYS A 603 6.344 -5.850 6.645 1.00 0.00 H new ATOM 0 HE2 LYS A 603 6.097 -4.361 8.521 1.00 0.00 H new ATOM 0 HE3 LYS A 603 4.576 -5.093 8.991 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 7.081 -5.830 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 5.640 -6.694 10.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 6.636 -7.058 8.758 1.00 0.00 H new ATOM 382 N PHE A 604 2.705 -7.668 2.917 1.00 0.00 N ATOM 383 CA PHE A 604 2.585 -8.787 1.992 1.00 0.00 C ATOM 384 C PHE A 604 2.096 -8.321 0.620 1.00 0.00 C ATOM 385 O PHE A 604 2.646 -8.731 -0.399 1.00 0.00 O ATOM 386 CB PHE A 604 1.631 -9.852 2.568 1.00 0.00 C ATOM 387 CG PHE A 604 1.948 -10.385 3.960 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.274 -10.474 4.431 1.00 0.00 C ATOM 389 CD2 PHE A 604 0.891 -10.767 4.810 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.532 -10.897 5.744 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.152 -11.213 6.118 1.00 0.00 C ATOM 392 CZ PHE A 604 2.474 -11.274 6.588 1.00 0.00 C ATOM 0 H PHE A 604 2.143 -7.779 3.761 1.00 0.00 H new ATOM 0 HA PHE A 604 3.573 -9.228 1.863 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.626 -9.431 2.587 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.610 -10.696 1.879 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.095 -10.215 3.778 1.00 0.00 H new ATOM 0 HD2 PHE A 604 -0.127 -10.717 4.454 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.548 -10.933 6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.336 -11.509 6.761 1.00 0.00 H new ATOM 0 HZ PHE A 604 2.677 -11.609 7.594 1.00 0.00 H new ATOM 402 N ARG A 605 1.073 -7.457 0.585 1.00 0.00 N ATOM 403 CA ARG A 605 0.580 -6.864 -0.651 1.00 0.00 C ATOM 404 C ARG A 605 1.647 -5.940 -1.237 1.00 0.00 C ATOM 405 O ARG A 605 1.948 -6.073 -2.414 1.00 0.00 O ATOM 406 CB ARG A 605 -0.751 -6.116 -0.433 1.00 0.00 C ATOM 407 CG ARG A 605 -2.003 -7.006 -0.513 1.00 0.00 C ATOM 408 CD ARG A 605 -2.271 -7.774 0.787 1.00 0.00 C ATOM 409 NE ARG A 605 -3.447 -8.655 0.687 1.00 0.00 N ATOM 410 CZ ARG A 605 -3.496 -9.875 0.130 1.00 0.00 C ATOM 411 NH1 ARG A 605 -2.422 -10.396 -0.466 1.00 0.00 N ATOM 412 NH2 ARG A 605 -4.629 -10.575 0.172 1.00 0.00 N ATOM 0 H ARG A 605 0.568 -7.153 1.417 1.00 0.00 H new ATOM 0 HA ARG A 605 0.376 -7.665 -1.362 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.726 -5.633 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.835 -5.325 -1.178 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.869 -6.387 -0.749 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.886 -7.716 -1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.394 -8.370 1.041 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.420 -7.064 1.601 1.00 0.00 H new ATOM 0 HE ARG A 605 -4.317 -8.300 1.083 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -1.551 -9.866 -0.502 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -2.472 -11.324 -0.886 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -5.454 -10.183 0.626 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -4.671 -11.503 -0.250 1.00 0.00 H new ATOM 426 N LEU A 606 2.254 -5.050 -0.443 1.00 0.00 N ATOM 427 CA LEU A 606 3.215 -4.062 -0.906 1.00 0.00 C ATOM 428 C LEU A 606 4.369 -4.775 -1.614 1.00 0.00 C ATOM 429 O LEU A 606 4.760 -4.350 -2.701 1.00 0.00 O ATOM 430 CB LEU A 606 3.711 -3.179 0.261 1.00 0.00 C ATOM 431 CG LEU A 606 2.678 -2.254 0.962 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.424 -1.296 1.898 1.00 0.00 C ATOM 433 CD2 LEU A 606 1.847 -1.440 -0.038 1.00 0.00 C ATOM 0 H LEU A 606 2.081 -5.002 0.561 1.00 0.00 H new ATOM 0 HA LEU A 606 2.732 -3.393 -1.618 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.140 -3.835 1.018 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.521 -2.553 -0.114 1.00 0.00 H new ATOM 0 HG LEU A 606 1.988 -2.888 1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.708 -0.642 2.395 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.971 -1.870 2.646 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.124 -0.694 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.141 -0.810 0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.509 -0.813 -0.635 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.300 -2.118 -0.694 1.00 0.00 H new ATOM 445 N LEU A 607 4.852 -5.892 -1.047 1.00 0.00 N ATOM 446 CA LEU A 607 5.848 -6.718 -1.712 1.00 0.00 C ATOM 447 C LEU A 607 5.265 -7.377 -2.973 1.00 0.00 C ATOM 448 O LEU A 607 5.879 -7.304 -4.035 1.00 0.00 O ATOM 449 CB LEU A 607 6.485 -7.743 -0.743 1.00 0.00 C ATOM 450 CG LEU A 607 7.566 -8.634 -1.409 1.00 0.00 C ATOM 451 CD1 LEU A 607 8.974 -8.124 -1.093 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.446 -10.099 -0.964 1.00 0.00 C ATOM 0 H LEU A 607 4.564 -6.236 -0.131 1.00 0.00 H new ATOM 0 HA LEU A 607 6.659 -6.067 -2.039 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.932 -7.209 0.096 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.701 -8.381 -0.334 1.00 0.00 H new ATOM 0 HG LEU A 607 7.398 -8.580 -2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.711 -8.768 -1.573 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.084 -7.106 -1.466 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.131 -8.134 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.220 -10.692 -1.452 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.568 -10.162 0.117 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.465 -10.484 -1.242 1.00 0.00 H new ATOM 464 N LEU A 608 4.103 -8.037 -2.887 1.00 0.00 N ATOM 465 CA LEU A 608 3.596 -8.883 -3.961 1.00 0.00 C ATOM 466 C LEU A 608 3.212 -8.062 -5.195 1.00 0.00 C ATOM 467 O LEU A 608 3.358 -8.535 -6.318 1.00 0.00 O ATOM 468 CB LEU A 608 2.396 -9.668 -3.409 1.00 0.00 C ATOM 469 CG LEU A 608 1.755 -10.649 -4.402 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.719 -11.773 -4.800 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.497 -11.261 -3.772 1.00 0.00 C ATOM 0 H LEU A 608 3.493 -7.996 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 608 4.374 -9.572 -4.291 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.718 -10.223 -2.528 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.637 -8.959 -3.079 1.00 0.00 H new ATOM 0 HG LEU A 608 1.500 -10.092 -5.303 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.225 -12.444 -5.503 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.605 -11.344 -5.269 1.00 0.00 H new ATOM 0 HD13 LEU A 608 3.013 -12.331 -3.911 1.00 0.00 H new ATOM 0 HD21 LEU A 608 0.040 -11.958 -4.475 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.768 -11.792 -2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.213 -10.469 -3.533 1.00 0.00 H new ATOM 483 N GLU A 609 2.743 -6.834 -4.992 1.00 0.00 N ATOM 484 CA GLU A 609 2.380 -5.885 -6.025 1.00 0.00 C ATOM 485 C GLU A 609 3.644 -5.410 -6.748 1.00 0.00 C ATOM 486 O GLU A 609 3.672 -5.396 -7.980 1.00 0.00 O ATOM 487 CB GLU A 609 1.561 -4.753 -5.387 1.00 0.00 C ATOM 488 CG GLU A 609 0.241 -5.273 -4.773 1.00 0.00 C ATOM 489 CD GLU A 609 -0.868 -5.485 -5.803 1.00 0.00 C ATOM 490 OE1 GLU A 609 -1.622 -4.522 -6.058 1.00 0.00 O ATOM 491 OE2 GLU A 609 -0.962 -6.629 -6.305 1.00 0.00 O ATOM 0 H GLU A 609 2.601 -6.461 -4.053 1.00 0.00 H new ATOM 0 HA GLU A 609 1.749 -6.341 -6.788 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.155 -4.267 -4.613 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.338 -3.997 -6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.434 -6.215 -4.260 1.00 0.00 H new ATOM 0 HG3 GLU A 609 -0.104 -4.565 -4.020 1.00 0.00 H new ATOM 498 N LEU A 610 4.737 -5.148 -6.017 1.00 0.00 N ATOM 499 CA LEU A 610 6.023 -4.891 -6.658 1.00 0.00 C ATOM 500 C LEU A 610 6.487 -6.112 -7.446 1.00 0.00 C ATOM 501 O LEU A 610 7.069 -5.945 -8.514 1.00 0.00 O ATOM 502 CB LEU A 610 7.108 -4.541 -5.630 1.00 0.00 C ATOM 503 CG LEU A 610 7.063 -3.107 -5.083 1.00 0.00 C ATOM 504 CD1 LEU A 610 7.795 -3.074 -3.746 1.00 0.00 C ATOM 505 CD2 LEU A 610 7.794 -2.133 -6.003 1.00 0.00 C ATOM 0 H LEU A 610 4.752 -5.110 -4.998 1.00 0.00 H new ATOM 0 HA LEU A 610 5.876 -4.044 -7.328 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.027 -5.233 -4.792 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.084 -4.706 -6.087 1.00 0.00 H new ATOM 0 HG LEU A 610 6.016 -2.817 -4.996 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.772 -2.061 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 610 7.307 -3.753 -3.047 1.00 0.00 H new ATOM 0 HD13 LEU A 610 8.830 -3.384 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 610 7.742 -1.128 -5.584 1.00 0.00 H new ATOM 0 HD22 LEU A 610 8.838 -2.434 -6.096 1.00 0.00 H new ATOM 0 HD23 LEU A 610 7.326 -2.141 -6.987 1.00 0.00 H new ATOM 517 N ILE A 611 6.232 -7.336 -6.961 1.00 0.00 N ATOM 518 CA ILE A 611 6.593 -8.530 -7.724 1.00 0.00 C ATOM 519 C ILE A 611 5.866 -8.493 -9.076 1.00 0.00 C ATOM 520 O ILE A 611 6.497 -8.748 -10.096 1.00 0.00 O ATOM 521 CB ILE A 611 6.389 -9.847 -6.933 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.332 -9.882 -5.712 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.741 -11.053 -7.817 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.081 -10.997 -4.699 1.00 0.00 C ATOM 0 H ILE A 611 5.786 -7.519 -6.062 1.00 0.00 H new ATOM 0 HA ILE A 611 7.666 -8.518 -7.915 1.00 0.00 H new ATOM 0 HB ILE A 611 5.347 -9.892 -6.617 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.357 -9.971 -6.073 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.258 -8.926 -5.194 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.594 -11.973 -7.252 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.097 -11.060 -8.696 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.782 -10.982 -8.131 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.804 -10.920 -3.887 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.072 -10.903 -4.297 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.188 -11.965 -5.189 1.00 0.00 H new ATOM 536 N LYS A 612 4.585 -8.106 -9.142 1.00 0.00 N ATOM 537 CA LYS A 612 3.868 -8.195 -10.418 1.00 0.00 C ATOM 538 C LYS A 612 4.231 -7.026 -11.320 1.00 0.00 C ATOM 539 O LYS A 612 4.324 -7.215 -12.533 1.00 0.00 O ATOM 540 CB LYS A 612 2.349 -8.378 -10.280 1.00 0.00 C ATOM 541 CG LYS A 612 1.650 -7.541 -9.199 1.00 0.00 C ATOM 542 CD LYS A 612 0.118 -7.627 -9.265 1.00 0.00 C ATOM 543 CE LYS A 612 -0.465 -8.700 -8.335 1.00 0.00 C ATOM 544 NZ LYS A 612 0.073 -10.051 -8.592 1.00 0.00 N ATOM 0 H LYS A 612 4.042 -7.742 -8.359 1.00 0.00 H new ATOM 0 HA LYS A 612 4.206 -9.116 -10.893 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.889 -8.146 -11.241 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.150 -9.430 -10.078 1.00 0.00 H new ATOM 0 HG2 LYS A 612 1.984 -7.875 -8.217 1.00 0.00 H new ATOM 0 HG3 LYS A 612 1.954 -6.499 -9.302 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.306 -6.658 -9.003 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.184 -7.840 -10.290 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.259 -8.425 -7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 612 -1.549 -8.720 -8.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -0.627 -10.764 -8.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 0.276 -10.157 -9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 0.949 -10.185 -8.048 1.00 0.00 H new ATOM 558 N GLU A 613 4.494 -5.845 -10.746 1.00 0.00 N ATOM 559 CA GLU A 613 4.889 -4.696 -11.543 1.00 0.00 C ATOM 560 C GLU A 613 6.272 -4.899 -12.174 1.00 0.00 C ATOM 561 O GLU A 613 6.561 -4.271 -13.190 1.00 0.00 O ATOM 562 CB GLU A 613 4.753 -3.382 -10.758 1.00 0.00 C ATOM 563 CG GLU A 613 6.024 -2.964 -10.018 1.00 0.00 C ATOM 564 CD GLU A 613 5.886 -1.592 -9.355 1.00 0.00 C ATOM 565 OE1 GLU A 613 5.205 -1.462 -8.314 1.00 0.00 O ATOM 566 OE2 GLU A 613 6.525 -0.632 -9.837 1.00 0.00 O ATOM 0 H GLU A 613 4.439 -5.669 -9.743 1.00 0.00 H new ATOM 0 HA GLU A 613 4.192 -4.609 -12.377 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.468 -2.587 -11.447 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.942 -3.484 -10.037 1.00 0.00 H new ATOM 0 HG2 GLU A 613 6.262 -3.709 -9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.859 -2.944 -10.718 1.00 0.00 H new ATOM 573 N TYR A 614 7.107 -5.783 -11.604 1.00 0.00 N ATOM 574 CA TYR A 614 8.488 -5.966 -12.030 1.00 0.00 C ATOM 575 C TYR A 614 8.707 -7.319 -12.690 1.00 0.00 C ATOM 576 O TYR A 614 9.707 -7.502 -13.381 1.00 0.00 O ATOM 577 CB TYR A 614 9.474 -5.731 -10.880 1.00 0.00 C ATOM 578 CG TYR A 614 9.900 -4.288 -10.734 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.668 -3.697 -11.758 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.558 -3.542 -9.592 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.103 -2.369 -11.643 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.992 -2.210 -9.471 1.00 0.00 C ATOM 583 CZ TYR A 614 10.775 -1.619 -10.494 1.00 0.00 C ATOM 584 OH TYR A 614 11.231 -0.339 -10.393 1.00 0.00 O ATOM 0 H TYR A 614 6.833 -6.390 -10.831 1.00 0.00 H new ATOM 0 HA TYR A 614 8.688 -5.207 -12.787 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.017 -6.063 -9.947 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.358 -6.348 -11.039 1.00 0.00 H new ATOM 0 HD1 TYR A 614 10.923 -4.271 -12.637 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.964 -3.991 -8.810 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.688 -1.921 -12.433 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.728 -1.635 -8.596 1.00 0.00 H new ATOM 0 HH TYR A 614 11.488 -0.156 -9.465 1.00 0.00 H new ATOM 594 N GLU A 615 7.762 -8.248 -12.545 1.00 0.00 N ATOM 595 CA GLU A 615 7.644 -9.408 -13.396 1.00 0.00 C ATOM 596 C GLU A 615 7.510 -8.903 -14.833 1.00 0.00 C ATOM 597 O GLU A 615 8.431 -9.086 -15.632 1.00 0.00 O ATOM 598 CB GLU A 615 6.453 -10.267 -12.936 1.00 0.00 C ATOM 599 CG GLU A 615 6.885 -11.424 -12.012 1.00 0.00 C ATOM 600 CD GLU A 615 5.724 -12.258 -11.447 1.00 0.00 C ATOM 601 OE1 GLU A 615 4.604 -11.713 -11.311 1.00 0.00 O ATOM 602 OE2 GLU A 615 5.972 -13.446 -11.122 1.00 0.00 O ATOM 0 H GLU A 615 7.049 -8.205 -11.816 1.00 0.00 H new ATOM 0 HA GLU A 615 8.520 -10.054 -13.338 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.734 -9.636 -12.412 1.00 0.00 H new ATOM 0 HB3 GLU A 615 5.943 -10.674 -13.809 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.553 -12.084 -12.565 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.458 -11.013 -11.181 1.00 0.00 H new ATOM 609 N ASP A 616 6.409 -8.214 -15.150 1.00 0.00 N ATOM 610 CA ASP A 616 6.051 -7.854 -16.521 1.00 0.00 C ATOM 611 C ASP A 616 7.098 -6.932 -17.152 1.00 0.00 C ATOM 612 O ASP A 616 7.337 -6.992 -18.354 1.00 0.00 O ATOM 613 CB ASP A 616 4.666 -7.197 -16.517 1.00 0.00 C ATOM 614 CG ASP A 616 4.104 -7.054 -17.933 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.942 -8.109 -18.586 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.795 -5.905 -18.320 1.00 0.00 O ATOM 0 H ASP A 616 5.737 -7.889 -14.455 1.00 0.00 H new ATOM 0 HA ASP A 616 6.022 -8.758 -17.130 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.982 -7.793 -15.912 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.731 -6.214 -16.050 1.00 0.00 H new ATOM 621 N ASP A 617 7.798 -6.158 -16.315 1.00 0.00 N ATOM 622 CA ASP A 617 8.837 -5.222 -16.720 1.00 0.00 C ATOM 623 C ASP A 617 10.080 -5.958 -17.203 1.00 0.00 C ATOM 624 O ASP A 617 10.713 -5.575 -18.184 1.00 0.00 O ATOM 625 CB ASP A 617 9.195 -4.369 -15.508 1.00 0.00 C ATOM 626 CG ASP A 617 10.282 -3.332 -15.796 1.00 0.00 C ATOM 627 OD1 ASP A 617 10.035 -2.453 -16.650 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.337 -3.424 -15.128 1.00 0.00 O ATOM 0 H ASP A 617 7.647 -6.171 -15.306 1.00 0.00 H new ATOM 0 HA ASP A 617 8.471 -4.606 -17.541 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.299 -3.858 -15.155 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.529 -5.020 -14.700 1.00 0.00 H new ATOM 633 N TYR A 618 10.406 -7.053 -16.512 1.00 0.00 N ATOM 634 CA TYR A 618 11.520 -7.921 -16.846 1.00 0.00 C ATOM 635 C TYR A 618 11.071 -9.056 -17.771 1.00 0.00 C ATOM 636 O TYR A 618 11.898 -9.865 -18.193 1.00 0.00 O ATOM 637 CB TYR A 618 12.117 -8.436 -15.537 1.00 0.00 C ATOM 638 CG TYR A 618 13.128 -7.491 -14.910 1.00 0.00 C ATOM 639 CD1 TYR A 618 12.704 -6.313 -14.268 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.506 -7.763 -15.023 1.00 0.00 C ATOM 641 CE1 TYR A 618 13.644 -5.404 -13.755 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.455 -6.858 -14.513 1.00 0.00 C ATOM 643 CZ TYR A 618 15.025 -5.666 -13.883 1.00 0.00 C ATOM 644 OH TYR A 618 15.933 -4.780 -13.385 1.00 0.00 O ATOM 0 H TYR A 618 9.888 -7.361 -15.689 1.00 0.00 H new ATOM 0 HA TYR A 618 12.285 -7.373 -17.397 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.310 -8.614 -14.826 1.00 0.00 H new ATOM 0 HB3 TYR A 618 12.597 -9.397 -15.721 1.00 0.00 H new ATOM 0 HD1 TYR A 618 11.649 -6.106 -14.169 1.00 0.00 H new ATOM 0 HD2 TYR A 618 14.836 -8.672 -15.504 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.310 -4.503 -13.262 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.510 -7.073 -14.602 1.00 0.00 H new ATOM 0 HH TYR A 618 16.840 -5.111 -13.555 1.00 0.00 H new ATOM 654 N GLY A 619 9.771 -9.132 -18.076 1.00 0.00 N ATOM 655 CA GLY A 619 9.221 -10.136 -18.987 1.00 0.00 C ATOM 656 C GLY A 619 8.993 -11.472 -18.277 1.00 0.00 C ATOM 657 O GLY A 619 9.009 -12.531 -18.900 1.00 0.00 O ATOM 0 H GLY A 619 9.070 -8.496 -17.696 1.00 0.00 H new ATOM 0 HA2 GLY A 619 8.278 -9.777 -19.400 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.902 -10.280 -19.826 1.00 0.00 H new ATOM 661 N GLY A 620 8.803 -11.402 -16.960 1.00 0.00 N ATOM 662 CA GLY A 620 8.433 -12.468 -16.056 1.00 0.00 C ATOM 663 C GLY A 620 9.492 -12.738 -14.991 1.00 0.00 C ATOM 664 O GLY A 620 9.632 -13.899 -14.596 1.00 0.00 O ATOM 0 H GLY A 620 8.916 -10.517 -16.465 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.492 -12.214 -15.569 1.00 0.00 H new ATOM 0 HA3 GLY A 620 8.260 -13.379 -16.628 1.00 0.00 H new ATOM 668 N ARG A 621 10.242 -11.710 -14.539 1.00 0.00 N ATOM 669 CA ARG A 621 11.199 -11.874 -13.437 1.00 0.00 C ATOM 670 C ARG A 621 10.718 -11.271 -12.125 1.00 0.00 C ATOM 671 O ARG A 621 10.191 -12.009 -11.311 1.00 0.00 O ATOM 672 CB ARG A 621 12.655 -11.470 -13.747 1.00 0.00 C ATOM 673 CG ARG A 621 13.239 -12.028 -15.049 1.00 0.00 C ATOM 674 CD ARG A 621 13.360 -13.548 -15.078 1.00 0.00 C ATOM 675 NE ARG A 621 13.751 -14.012 -16.420 1.00 0.00 N ATOM 676 CZ ARG A 621 14.702 -14.904 -16.731 1.00 0.00 C ATOM 677 NH1 ARG A 621 15.437 -15.482 -15.779 1.00 0.00 N ATOM 678 NH2 ARG A 621 14.919 -15.217 -18.008 1.00 0.00 N ATOM 0 H ARG A 621 10.200 -10.765 -14.921 1.00 0.00 H new ATOM 0 HA ARG A 621 11.232 -12.956 -13.312 1.00 0.00 H new ATOM 0 HB2 ARG A 621 12.710 -10.382 -13.783 1.00 0.00 H new ATOM 0 HB3 ARG A 621 13.286 -11.794 -12.920 1.00 0.00 H new ATOM 0 HG2 ARG A 621 12.612 -11.709 -15.882 1.00 0.00 H new ATOM 0 HG3 ARG A 621 14.226 -11.593 -15.207 1.00 0.00 H new ATOM 0 HD2 ARG A 621 14.099 -13.873 -14.345 1.00 0.00 H new ATOM 0 HD3 ARG A 621 12.409 -13.999 -14.794 1.00 0.00 H new ATOM 0 HE ARG A 621 13.239 -13.608 -17.204 1.00 0.00 H new ATOM 0 HH11 ARG A 621 15.279 -15.247 -14.799 1.00 0.00 H new ATOM 0 HH12 ARG A 621 16.157 -16.159 -16.031 1.00 0.00 H new ATOM 0 HH21 ARG A 621 14.363 -14.779 -18.742 1.00 0.00 H new ATOM 0 HH22 ARG A 621 15.641 -15.895 -18.251 1.00 0.00 H new ATOM 692 N ALA A 622 10.919 -9.970 -11.916 1.00 0.00 N ATOM 693 CA ALA A 622 10.944 -9.311 -10.614 1.00 0.00 C ATOM 694 C ALA A 622 12.193 -9.719 -9.808 1.00 0.00 C ATOM 695 O ALA A 622 12.154 -10.643 -8.992 1.00 0.00 O ATOM 696 CB ALA A 622 9.649 -9.456 -9.821 1.00 0.00 C ATOM 0 H ALA A 622 11.076 -9.319 -12.686 1.00 0.00 H new ATOM 0 HA ALA A 622 11.018 -8.242 -10.813 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.747 -8.939 -8.866 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.825 -9.020 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.448 -10.512 -9.643 1.00 0.00 H new ATOM 702 N PRO A 623 13.334 -9.050 -10.043 1.00 0.00 N ATOM 703 CA PRO A 623 14.564 -9.259 -9.285 1.00 0.00 C ATOM 704 C PRO A 623 14.417 -8.893 -7.801 1.00 0.00 C ATOM 705 O PRO A 623 13.960 -7.801 -7.448 1.00 0.00 O ATOM 706 CB PRO A 623 15.638 -8.408 -9.965 1.00 0.00 C ATOM 707 CG PRO A 623 14.830 -7.410 -10.774 1.00 0.00 C ATOM 708 CD PRO A 623 13.557 -8.127 -11.138 1.00 0.00 C ATOM 0 HA PRO A 623 14.830 -10.316 -9.288 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.279 -7.911 -9.237 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.286 -9.011 -10.601 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.622 -6.511 -10.194 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.373 -7.096 -11.666 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.726 -7.430 -11.245 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.656 -8.654 -12.087 1.00 0.00 H new ATOM 716 N THR A 624 14.890 -9.787 -6.930 1.00 0.00 N ATOM 717 CA THR A 624 14.799 -9.707 -5.477 1.00 0.00 C ATOM 718 C THR A 624 15.525 -8.461 -4.967 1.00 0.00 C ATOM 719 O THR A 624 15.039 -7.772 -4.070 1.00 0.00 O ATOM 720 CB THR A 624 15.389 -11.002 -4.875 1.00 0.00 C ATOM 721 OG1 THR A 624 14.908 -12.105 -5.619 1.00 0.00 O ATOM 722 CG2 THR A 624 15.001 -11.168 -3.407 1.00 0.00 C ATOM 0 H THR A 624 15.372 -10.631 -7.240 1.00 0.00 H new ATOM 0 HA THR A 624 13.758 -9.618 -5.167 1.00 0.00 H new ATOM 0 HB THR A 624 16.476 -10.946 -4.926 1.00 0.00 H new ATOM 0 HG1 THR A 624 14.764 -12.867 -5.019 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.434 -12.090 -3.018 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.376 -10.320 -2.833 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.915 -11.213 -3.320 1.00 0.00 H new ATOM 730 N ASN A 625 16.669 -8.136 -5.581 1.00 0.00 N ATOM 731 CA ASN A 625 17.480 -6.999 -5.168 1.00 0.00 C ATOM 732 C ASN A 625 16.720 -5.684 -5.375 1.00 0.00 C ATOM 733 O ASN A 625 16.803 -4.767 -4.551 1.00 0.00 O ATOM 734 CB ASN A 625 18.809 -6.975 -5.941 1.00 0.00 C ATOM 735 CG ASN A 625 19.633 -8.242 -5.727 1.00 0.00 C ATOM 736 OD1 ASN A 625 19.885 -8.650 -4.602 1.00 0.00 O ATOM 737 ND2 ASN A 625 20.047 -8.909 -6.798 1.00 0.00 N ATOM 0 H ASN A 625 17.051 -8.654 -6.372 1.00 0.00 H new ATOM 0 HA ASN A 625 17.697 -7.106 -4.105 1.00 0.00 H new ATOM 0 HB2 ASN A 625 18.605 -6.854 -7.005 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.392 -6.109 -5.628 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.581 -9.771 -6.687 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.831 -8.559 -7.732 1.00 0.00 H new ATOM 744 N ILE A 626 15.967 -5.597 -6.479 1.00 0.00 N ATOM 745 CA ILE A 626 15.170 -4.427 -6.808 1.00 0.00 C ATOM 746 C ILE A 626 13.963 -4.388 -5.878 1.00 0.00 C ATOM 747 O ILE A 626 13.696 -3.334 -5.317 1.00 0.00 O ATOM 748 CB ILE A 626 14.764 -4.444 -8.294 1.00 0.00 C ATOM 749 CG1 ILE A 626 15.993 -4.570 -9.234 1.00 0.00 C ATOM 750 CG2 ILE A 626 13.898 -3.221 -8.641 1.00 0.00 C ATOM 751 CD1 ILE A 626 16.997 -3.413 -9.169 1.00 0.00 C ATOM 0 H ILE A 626 15.899 -6.346 -7.168 1.00 0.00 H new ATOM 0 HA ILE A 626 15.753 -3.518 -6.661 1.00 0.00 H new ATOM 0 HB ILE A 626 14.159 -5.335 -8.458 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.517 -5.496 -8.996 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.636 -4.660 -10.260 1.00 0.00 H new ATOM 0 HG21 ILE A 626 13.624 -3.256 -9.696 1.00 0.00 H new ATOM 0 HG22 ILE A 626 12.995 -3.230 -8.031 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.461 -2.309 -8.442 1.00 0.00 H new ATOM 0 HD11 ILE A 626 17.815 -3.602 -9.864 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.498 -2.483 -9.440 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.393 -3.331 -8.157 1.00 0.00 H new ATOM 763 N LEU A 627 13.281 -5.522 -5.665 1.00 0.00 N ATOM 764 CA LEU A 627 12.152 -5.637 -4.740 1.00 0.00 C ATOM 765 C LEU A 627 12.479 -5.066 -3.364 1.00 0.00 C ATOM 766 O LEU A 627 11.708 -4.270 -2.830 1.00 0.00 O ATOM 767 CB LEU A 627 11.739 -7.113 -4.615 1.00 0.00 C ATOM 768 CG LEU A 627 10.741 -7.488 -5.715 1.00 0.00 C ATOM 769 CD1 LEU A 627 10.843 -8.958 -6.110 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.353 -7.168 -5.183 1.00 0.00 C ATOM 0 H LEU A 627 13.504 -6.397 -6.139 1.00 0.00 H new ATOM 0 HA LEU A 627 11.326 -5.053 -5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.621 -7.750 -4.684 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.293 -7.290 -3.636 1.00 0.00 H new ATOM 0 HG LEU A 627 10.958 -6.920 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.116 -9.176 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 627 11.847 -9.167 -6.479 1.00 0.00 H new ATOM 0 HD13 LEU A 627 10.639 -9.583 -5.241 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.607 -7.420 -5.937 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.167 -7.749 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.289 -6.105 -4.951 1.00 0.00 H new ATOM 782 N ILE A 628 13.621 -5.471 -2.806 1.00 0.00 N ATOM 783 CA ILE A 628 14.107 -4.980 -1.521 1.00 0.00 C ATOM 784 C ILE A 628 14.299 -3.464 -1.623 1.00 0.00 C ATOM 785 O ILE A 628 13.659 -2.711 -0.883 1.00 0.00 O ATOM 786 CB ILE A 628 15.379 -5.764 -1.113 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.027 -7.245 -0.822 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.035 -5.159 0.136 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.251 -8.167 -0.763 1.00 0.00 C ATOM 0 H ILE A 628 14.239 -6.156 -3.240 1.00 0.00 H new ATOM 0 HA ILE A 628 13.388 -5.152 -0.720 1.00 0.00 H new ATOM 0 HB ILE A 628 16.080 -5.702 -1.946 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.493 -7.303 0.126 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.347 -7.606 -1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 628 16.925 -5.734 0.394 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.316 -4.125 -0.065 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.330 -5.188 0.967 1.00 0.00 H new ATOM 0 HD11 ILE A 628 15.928 -9.187 -0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.774 -8.139 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 628 16.922 -7.831 0.028 1.00 0.00 H new ATOM 801 N THR A 629 15.142 -3.028 -2.566 1.00 0.00 N ATOM 802 CA THR A 629 15.505 -1.631 -2.768 1.00 0.00 C ATOM 803 C THR A 629 14.245 -0.762 -2.852 1.00 0.00 C ATOM 804 O THR A 629 14.087 0.168 -2.066 1.00 0.00 O ATOM 805 CB THR A 629 16.397 -1.511 -4.019 1.00 0.00 C ATOM 806 OG1 THR A 629 17.514 -2.377 -3.919 1.00 0.00 O ATOM 807 CG2 THR A 629 16.931 -0.087 -4.202 1.00 0.00 C ATOM 0 H THR A 629 15.600 -3.658 -3.224 1.00 0.00 H new ATOM 0 HA THR A 629 16.080 -1.264 -1.918 1.00 0.00 H new ATOM 0 HB THR A 629 15.773 -1.780 -4.872 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.361 -3.173 -4.470 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.555 -0.044 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.095 0.604 -4.310 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.523 0.194 -3.331 1.00 0.00 H new ATOM 815 N GLU A 630 13.326 -1.108 -3.756 1.00 0.00 N ATOM 816 CA GLU A 630 12.071 -0.413 -4.003 1.00 0.00 C ATOM 817 C GLU A 630 11.204 -0.370 -2.753 1.00 0.00 C ATOM 818 O GLU A 630 10.643 0.674 -2.442 1.00 0.00 O ATOM 819 CB GLU A 630 11.324 -1.114 -5.147 1.00 0.00 C ATOM 820 CG GLU A 630 11.860 -0.685 -6.520 1.00 0.00 C ATOM 821 CD GLU A 630 11.158 0.580 -7.034 1.00 0.00 C ATOM 822 OE1 GLU A 630 10.818 1.467 -6.224 1.00 0.00 O ATOM 823 OE2 GLU A 630 10.824 0.618 -8.242 1.00 0.00 O ATOM 0 H GLU A 630 13.447 -1.920 -4.362 1.00 0.00 H new ATOM 0 HA GLU A 630 12.292 0.617 -4.283 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.423 -2.194 -5.039 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.261 -0.883 -5.083 1.00 0.00 H new ATOM 0 HG2 GLU A 630 12.933 -0.503 -6.451 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.719 -1.495 -7.235 1.00 0.00 H new ATOM 830 N MET A 631 11.109 -1.460 -1.988 1.00 0.00 N ATOM 831 CA MET A 631 10.315 -1.438 -0.766 1.00 0.00 C ATOM 832 C MET A 631 10.902 -0.433 0.242 1.00 0.00 C ATOM 833 O MET A 631 10.144 0.272 0.917 1.00 0.00 O ATOM 834 CB MET A 631 10.304 -2.828 -0.139 1.00 0.00 C ATOM 835 CG MET A 631 9.298 -3.815 -0.734 1.00 0.00 C ATOM 836 SD MET A 631 7.552 -3.575 -0.296 1.00 0.00 S ATOM 837 CE MET A 631 7.617 -3.818 1.491 1.00 0.00 C ATOM 0 H MET A 631 11.564 -2.350 -2.190 1.00 0.00 H new ATOM 0 HA MET A 631 9.299 -1.135 -1.018 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.302 -3.256 -0.230 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.097 -2.725 0.926 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.384 -3.773 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.589 -4.820 -0.430 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.636 -4.126 1.852 1.00 0.00 H new ATOM 0 HE2 MET A 631 8.349 -4.591 1.727 1.00 0.00 H new ATOM 0 HE3 MET A 631 7.906 -2.885 1.975 1.00 0.00 H new ATOM 847 N MET A 632 12.239 -0.338 0.342 1.00 0.00 N ATOM 848 CA MET A 632 12.874 0.643 1.228 1.00 0.00 C ATOM 849 C MET A 632 12.699 2.058 0.678 1.00 0.00 C ATOM 850 O MET A 632 12.696 3.012 1.449 1.00 0.00 O ATOM 851 CB MET A 632 14.379 0.382 1.448 1.00 0.00 C ATOM 852 CG MET A 632 14.849 -1.074 1.374 1.00 0.00 C ATOM 853 SD MET A 632 16.322 -1.449 2.361 1.00 0.00 S ATOM 854 CE MET A 632 17.574 -0.528 1.441 1.00 0.00 C ATOM 0 H MET A 632 12.893 -0.925 -0.176 1.00 0.00 H new ATOM 0 HA MET A 632 12.373 0.540 2.190 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.935 0.956 0.706 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.652 0.777 2.426 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.035 -1.721 1.702 1.00 0.00 H new ATOM 0 HG3 MET A 632 15.054 -1.322 0.333 1.00 0.00 H new ATOM 0 HE1 MET A 632 18.545 -0.655 1.921 1.00 0.00 H new ATOM 0 HE2 MET A 632 17.623 -0.902 0.418 1.00 0.00 H new ATOM 0 HE3 MET A 632 17.311 0.530 1.428 1.00 0.00 H new ATOM 864 N ASP A 633 12.545 2.201 -0.638 1.00 0.00 N ATOM 865 CA ASP A 633 12.481 3.489 -1.308 1.00 0.00 C ATOM 866 C ASP A 633 11.081 4.059 -1.147 1.00 0.00 C ATOM 867 O ASP A 633 10.883 5.190 -0.708 1.00 0.00 O ATOM 868 CB ASP A 633 12.808 3.285 -2.792 1.00 0.00 C ATOM 869 CG ASP A 633 13.214 4.609 -3.435 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.408 4.962 -3.305 1.00 0.00 O ATOM 871 OD2 ASP A 633 12.325 5.257 -4.029 1.00 0.00 O ATOM 0 H ASP A 633 12.460 1.409 -1.275 1.00 0.00 H new ATOM 0 HA ASP A 633 13.199 4.186 -0.875 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.615 2.560 -2.897 1.00 0.00 H new ATOM 0 HB3 ASP A 633 11.941 2.873 -3.309 1.00 0.00 H new ATOM 876 N ARG A 634 10.099 3.220 -1.476 1.00 0.00 N ATOM 877 CA ARG A 634 8.703 3.594 -1.559 1.00 0.00 C ATOM 878 C ARG A 634 8.045 3.594 -0.187 1.00 0.00 C ATOM 879 O ARG A 634 7.114 4.369 0.030 1.00 0.00 O ATOM 880 CB ARG A 634 8.007 2.593 -2.484 1.00 0.00 C ATOM 881 CG ARG A 634 8.523 2.661 -3.932 1.00 0.00 C ATOM 882 CD ARG A 634 7.537 1.933 -4.849 1.00 0.00 C ATOM 883 NE ARG A 634 8.116 1.667 -6.171 1.00 0.00 N ATOM 884 CZ ARG A 634 7.489 1.058 -7.186 1.00 0.00 C ATOM 885 NH1 ARG A 634 6.204 0.716 -7.087 1.00 0.00 N ATOM 886 NH2 ARG A 634 8.153 0.749 -8.290 1.00 0.00 N ATOM 0 H ARG A 634 10.265 2.238 -1.696 1.00 0.00 H new ATOM 0 HA ARG A 634 8.617 4.607 -1.953 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.155 1.585 -2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 634 6.934 2.783 -2.476 1.00 0.00 H new ATOM 0 HG2 ARG A 634 8.631 3.700 -4.245 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.510 2.203 -4.002 1.00 0.00 H new ATOM 0 HD2 ARG A 634 7.238 0.992 -4.387 1.00 0.00 H new ATOM 0 HD3 ARG A 634 6.634 2.534 -4.962 1.00 0.00 H new ATOM 0 HE ARG A 634 9.076 1.971 -6.330 1.00 0.00 H new ATOM 0 HH11 ARG A 634 5.687 0.918 -6.231 1.00 0.00 H new ATOM 0 HH12 ARG A 634 5.738 0.253 -7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 634 9.145 0.975 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 634 7.673 0.285 -9.061 1.00 0.00 H new ATOM 900 N TYR A 635 8.492 2.721 0.727 1.00 0.00 N ATOM 901 CA TYR A 635 7.775 2.443 1.967 1.00 0.00 C ATOM 902 C TYR A 635 8.680 2.444 3.205 1.00 0.00 C ATOM 903 O TYR A 635 8.181 2.232 4.309 1.00 0.00 O ATOM 904 CB TYR A 635 7.038 1.106 1.823 1.00 0.00 C ATOM 905 CG TYR A 635 6.216 0.924 0.555 1.00 0.00 C ATOM 906 CD1 TYR A 635 5.173 1.814 0.232 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.504 -0.149 -0.309 1.00 0.00 C ATOM 908 CE1 TYR A 635 4.429 1.632 -0.949 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.760 -0.347 -1.484 1.00 0.00 C ATOM 910 CZ TYR A 635 4.718 0.550 -1.812 1.00 0.00 C ATOM 911 OH TYR A 635 3.987 0.372 -2.948 1.00 0.00 O ATOM 0 H TYR A 635 9.358 2.193 0.623 1.00 0.00 H new ATOM 0 HA TYR A 635 7.062 3.251 2.129 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.773 0.303 1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.376 0.986 2.681 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.944 2.638 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 635 7.307 -0.829 -0.066 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.635 2.321 -1.197 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.983 -1.181 -2.134 1.00 0.00 H new ATOM 0 HH TYR A 635 4.316 -0.416 -3.428 1.00 0.00 H new ATOM 921 N ASN A 636 9.987 2.695 3.041 1.00 0.00 N ATOM 922 CA ASN A 636 10.994 2.720 4.111 1.00 0.00 C ATOM 923 C ASN A 636 11.021 1.407 4.915 1.00 0.00 C ATOM 924 O ASN A 636 11.342 1.396 6.106 1.00 0.00 O ATOM 925 CB ASN A 636 10.807 3.985 4.969 1.00 0.00 C ATOM 926 CG ASN A 636 12.090 4.482 5.639 1.00 0.00 C ATOM 927 OD1 ASN A 636 12.516 5.607 5.419 1.00 0.00 O ATOM 928 ND2 ASN A 636 12.723 3.677 6.478 1.00 0.00 N ATOM 0 H ASN A 636 10.387 2.894 2.124 1.00 0.00 H new ATOM 0 HA ASN A 636 11.988 2.781 3.669 1.00 0.00 H new ATOM 0 HB2 ASN A 636 10.406 4.781 4.341 1.00 0.00 H new ATOM 0 HB3 ASN A 636 10.063 3.782 5.739 1.00 0.00 H new ATOM 0 HD21 ASN A 636 13.572 3.994 6.946 1.00 0.00 H new ATOM 0 HD22 ASN A 636 12.362 2.740 6.656 1.00 0.00 H new ATOM 935 N VAL A 637 10.681 0.283 4.278 1.00 0.00 N ATOM 936 CA VAL A 637 10.744 -1.031 4.905 1.00 0.00 C ATOM 937 C VAL A 637 12.183 -1.492 4.708 1.00 0.00 C ATOM 938 O VAL A 637 12.620 -1.656 3.574 1.00 0.00 O ATOM 939 CB VAL A 637 9.715 -1.962 4.251 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.740 -3.362 4.860 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.289 -1.414 4.423 1.00 0.00 C ATOM 0 H VAL A 637 10.354 0.263 3.312 1.00 0.00 H new ATOM 0 HA VAL A 637 10.496 -1.023 5.966 1.00 0.00 H new ATOM 0 HB VAL A 637 9.986 -2.014 3.196 1.00 0.00 H new ATOM 0 HG11 VAL A 637 8.996 -3.987 4.367 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.729 -3.800 4.724 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.514 -3.300 5.924 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.579 -2.093 3.950 1.00 0.00 H new ATOM 0 HG22 VAL A 637 8.058 -1.328 5.485 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.218 -0.432 3.956 1.00 0.00 H new ATOM 951 N SER A 638 12.929 -1.633 5.802 1.00 0.00 N ATOM 952 CA SER A 638 14.334 -2.004 5.808 1.00 0.00 C ATOM 953 C SER A 638 14.515 -3.372 5.165 1.00 0.00 C ATOM 954 O SER A 638 13.614 -4.205 5.226 1.00 0.00 O ATOM 955 CB SER A 638 14.834 -2.042 7.257 1.00 0.00 C ATOM 956 OG SER A 638 14.426 -0.884 7.961 1.00 0.00 O ATOM 0 H SER A 638 12.554 -1.486 6.739 1.00 0.00 H new ATOM 0 HA SER A 638 14.906 -1.271 5.239 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.448 -2.931 7.756 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.921 -2.116 7.269 1.00 0.00 H new ATOM 0 HG SER A 638 14.754 -0.929 8.883 1.00 0.00 H new ATOM 962 N GLU A 639 15.709 -3.637 4.638 1.00 0.00 N ATOM 963 CA GLU A 639 16.051 -4.861 3.934 1.00 0.00 C ATOM 964 C GLU A 639 15.601 -6.109 4.695 1.00 0.00 C ATOM 965 O GLU A 639 14.978 -6.979 4.099 1.00 0.00 O ATOM 966 CB GLU A 639 17.558 -4.838 3.631 1.00 0.00 C ATOM 967 CG GLU A 639 18.101 -6.191 3.166 1.00 0.00 C ATOM 968 CD GLU A 639 19.528 -6.057 2.631 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.457 -6.072 3.469 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.665 -5.926 1.395 1.00 0.00 O ATOM 0 H GLU A 639 16.488 -2.980 4.694 1.00 0.00 H new ATOM 0 HA GLU A 639 15.509 -4.911 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.756 -4.091 2.862 1.00 0.00 H new ATOM 0 HB3 GLU A 639 18.097 -4.526 4.525 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.085 -6.897 3.996 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.455 -6.598 2.389 1.00 0.00 H new ATOM 977 N GLU A 640 15.817 -6.147 6.012 1.00 0.00 N ATOM 978 CA GLU A 640 15.405 -7.249 6.890 1.00 0.00 C ATOM 979 C GLU A 640 13.877 -7.403 6.889 1.00 0.00 C ATOM 980 O GLU A 640 13.323 -8.497 6.764 1.00 0.00 O ATOM 981 CB GLU A 640 15.964 -6.963 8.283 1.00 0.00 C ATOM 982 CG GLU A 640 15.461 -7.966 9.335 1.00 0.00 C ATOM 983 CD GLU A 640 14.325 -7.447 10.234 1.00 0.00 C ATOM 984 OE1 GLU A 640 14.152 -6.214 10.360 1.00 0.00 O ATOM 985 OE2 GLU A 640 13.577 -8.284 10.790 1.00 0.00 O ATOM 0 H GLU A 640 16.294 -5.396 6.511 1.00 0.00 H new ATOM 0 HA GLU A 640 15.801 -8.200 6.535 1.00 0.00 H new ATOM 0 HB2 GLU A 640 17.053 -6.994 8.248 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.683 -5.954 8.584 1.00 0.00 H new ATOM 0 HG2 GLU A 640 15.118 -8.865 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.300 -8.259 9.967 1.00 0.00 H new ATOM 992 N LYS A 641 13.205 -6.261 7.012 1.00 0.00 N ATOM 993 CA LYS A 641 11.769 -6.092 7.108 1.00 0.00 C ATOM 994 C LYS A 641 11.077 -6.319 5.758 1.00 0.00 C ATOM 995 O LYS A 641 9.861 -6.488 5.745 1.00 0.00 O ATOM 996 CB LYS A 641 11.545 -4.684 7.711 1.00 0.00 C ATOM 997 CG LYS A 641 10.264 -4.464 8.531 1.00 0.00 C ATOM 998 CD LYS A 641 9.986 -5.530 9.597 1.00 0.00 C ATOM 999 CE LYS A 641 11.243 -6.003 10.343 1.00 0.00 C ATOM 1000 NZ LYS A 641 11.095 -7.333 10.968 1.00 0.00 N ATOM 0 H LYS A 641 13.693 -5.366 7.049 1.00 0.00 H new ATOM 0 HA LYS A 641 11.310 -6.840 7.754 1.00 0.00 H new ATOM 0 HB2 LYS A 641 12.398 -4.451 8.348 1.00 0.00 H new ATOM 0 HB3 LYS A 641 11.551 -3.962 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 641 10.326 -3.491 9.019 1.00 0.00 H new ATOM 0 HG3 LYS A 641 9.416 -4.425 7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 641 9.274 -5.131 10.320 1.00 0.00 H new ATOM 0 HD3 LYS A 641 9.511 -6.389 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 641 12.080 -6.030 9.646 1.00 0.00 H new ATOM 0 HE3 LYS A 641 11.493 -5.274 11.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 11.893 -7.938 10.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 11.083 -7.231 12.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 10.204 -7.768 10.652 1.00 0.00 H new ATOM 1014 N VAL A 642 11.825 -6.363 4.645 1.00 0.00 N ATOM 1015 CA VAL A 642 11.360 -6.891 3.361 1.00 0.00 C ATOM 1016 C VAL A 642 11.720 -8.364 3.234 1.00 0.00 C ATOM 1017 O VAL A 642 10.872 -9.134 2.793 1.00 0.00 O ATOM 1018 CB VAL A 642 11.963 -6.123 2.165 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.273 -6.558 0.864 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.807 -4.609 2.288 1.00 0.00 C ATOM 0 H VAL A 642 12.787 -6.026 4.616 1.00 0.00 H new ATOM 0 HA VAL A 642 10.278 -6.765 3.339 1.00 0.00 H new ATOM 0 HB VAL A 642 13.027 -6.361 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.703 -6.012 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.419 -7.628 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.206 -6.343 0.928 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.250 -4.126 1.417 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.748 -4.356 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.311 -4.263 3.191 1.00 0.00 H new ATOM 1030 N GLU A 643 12.936 -8.773 3.609 1.00 0.00 N ATOM 1031 CA GLU A 643 13.375 -10.157 3.497 1.00 0.00 C ATOM 1032 C GLU A 643 12.389 -11.079 4.195 1.00 0.00 C ATOM 1033 O GLU A 643 12.032 -12.107 3.632 1.00 0.00 O ATOM 1034 CB GLU A 643 14.814 -10.333 4.019 1.00 0.00 C ATOM 1035 CG GLU A 643 15.737 -10.895 2.930 1.00 0.00 C ATOM 1036 CD GLU A 643 15.569 -12.413 2.794 1.00 0.00 C ATOM 1037 OE1 GLU A 643 16.103 -13.147 3.662 1.00 0.00 O ATOM 1038 OE2 GLU A 643 14.880 -12.856 1.853 1.00 0.00 O ATOM 0 H GLU A 643 13.641 -8.148 3.999 1.00 0.00 H new ATOM 0 HA GLU A 643 13.395 -10.433 2.443 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.198 -9.373 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.812 -11.003 4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.515 -10.415 1.977 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.774 -10.661 3.171 1.00 0.00 H new ATOM 1045 N GLU A 644 11.851 -10.671 5.348 1.00 0.00 N ATOM 1046 CA GLU A 644 10.819 -11.440 6.037 1.00 0.00 C ATOM 1047 C GLU A 644 9.633 -11.718 5.102 1.00 0.00 C ATOM 1048 O GLU A 644 9.170 -12.851 5.026 1.00 0.00 O ATOM 1049 CB GLU A 644 10.395 -10.749 7.352 1.00 0.00 C ATOM 1050 CG GLU A 644 9.304 -9.678 7.157 1.00 0.00 C ATOM 1051 CD GLU A 644 8.888 -8.874 8.400 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.601 -8.917 9.428 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.866 -8.143 8.322 1.00 0.00 O ATOM 0 H GLU A 644 12.117 -9.808 5.823 1.00 0.00 H new ATOM 0 HA GLU A 644 11.234 -12.408 6.317 1.00 0.00 H new ATOM 0 HB2 GLU A 644 10.032 -11.504 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.270 -10.287 7.809 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.650 -8.975 6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.416 -10.167 6.757 1.00 0.00 H new ATOM 1060 N LEU A 645 9.176 -10.704 4.356 1.00 0.00 N ATOM 1061 CA LEU A 645 8.041 -10.761 3.441 1.00 0.00 C ATOM 1062 C LEU A 645 8.351 -11.776 2.365 1.00 0.00 C ATOM 1063 O LEU A 645 7.517 -12.621 2.041 1.00 0.00 O ATOM 1064 CB LEU A 645 7.726 -9.393 2.815 1.00 0.00 C ATOM 1065 CG LEU A 645 7.665 -8.254 3.838 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.467 -6.924 3.110 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.559 -8.489 4.870 1.00 0.00 C ATOM 0 H LEU A 645 9.611 -9.782 4.379 1.00 0.00 H new ATOM 0 HA LEU A 645 7.154 -11.055 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.485 -9.160 2.068 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.772 -9.453 2.292 1.00 0.00 H new ATOM 0 HG LEU A 645 8.608 -8.223 4.383 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.424 -6.114 3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.300 -6.755 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.536 -6.954 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.543 -7.663 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.596 -8.551 4.363 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.750 -9.421 5.402 1.00 0.00 H new ATOM 1079 N ILE A 646 9.582 -11.706 1.857 1.00 0.00 N ATOM 1080 CA ILE A 646 10.082 -12.627 0.866 1.00 0.00 C ATOM 1081 C ILE A 646 9.968 -14.044 1.434 1.00 0.00 C ATOM 1082 O ILE A 646 9.435 -14.910 0.747 1.00 0.00 O ATOM 1083 CB ILE A 646 11.503 -12.220 0.395 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.468 -10.788 -0.187 1.00 0.00 C ATOM 1085 CG2 ILE A 646 11.987 -13.242 -0.642 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.821 -10.177 -0.559 1.00 0.00 C ATOM 0 H ILE A 646 10.259 -10.995 2.133 1.00 0.00 H new ATOM 0 HA ILE A 646 9.484 -12.597 -0.045 1.00 0.00 H new ATOM 0 HB ILE A 646 12.200 -12.217 1.233 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.839 -10.795 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.985 -10.135 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 646 12.986 -12.969 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 646 12.016 -14.233 -0.190 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.303 -13.251 -1.491 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.670 -9.173 -0.956 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.453 -10.126 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.305 -10.797 -1.314 1.00 0.00 H new ATOM 1098 N ARG A 647 10.380 -14.301 2.685 1.00 0.00 N ATOM 1099 CA ARG A 647 10.359 -15.685 3.185 1.00 0.00 C ATOM 1100 C ARG A 647 8.923 -16.117 3.432 1.00 0.00 C ATOM 1101 O ARG A 647 8.535 -17.188 2.982 1.00 0.00 O ATOM 1102 CB ARG A 647 11.222 -15.912 4.450 1.00 0.00 C ATOM 1103 CG ARG A 647 12.367 -14.908 4.603 1.00 0.00 C ATOM 1104 CD ARG A 647 13.455 -15.277 5.611 1.00 0.00 C ATOM 1105 NE ARG A 647 14.789 -15.123 5.004 1.00 0.00 N ATOM 1106 CZ ARG A 647 15.723 -16.045 4.756 1.00 0.00 C ATOM 1107 NH1 ARG A 647 15.588 -17.311 5.154 1.00 0.00 N ATOM 1108 NH2 ARG A 647 16.801 -15.658 4.084 1.00 0.00 N ATOM 0 H ARG A 647 10.719 -13.602 3.346 1.00 0.00 H new ATOM 0 HA ARG A 647 10.811 -16.303 2.409 1.00 0.00 H new ATOM 0 HB2 ARG A 647 10.582 -15.856 5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 647 11.636 -16.920 4.420 1.00 0.00 H new ATOM 0 HG2 ARG A 647 12.835 -14.770 3.628 1.00 0.00 H new ATOM 0 HG3 ARG A 647 11.943 -13.946 4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 647 13.374 -14.641 6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 647 13.317 -16.305 5.945 1.00 0.00 H new ATOM 0 HE ARG A 647 15.036 -14.171 4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 647 14.753 -17.599 5.664 1.00 0.00 H new ATOM 0 HH12 ARG A 647 16.320 -17.991 4.949 1.00 0.00 H new ATOM 0 HH21 ARG A 647 16.891 -14.689 3.779 1.00 0.00 H new ATOM 0 HH22 ARG A 647 17.539 -16.330 3.873 1.00 0.00 H new ATOM 1122 N ILE A 648 8.127 -15.277 4.094 1.00 0.00 N ATOM 1123 CA ILE A 648 6.724 -15.530 4.406 1.00 0.00 C ATOM 1124 C ILE A 648 5.989 -15.920 3.126 1.00 0.00 C ATOM 1125 O ILE A 648 5.427 -17.011 3.051 1.00 0.00 O ATOM 1126 CB ILE A 648 6.122 -14.284 5.088 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.740 -14.093 6.496 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.599 -14.350 5.230 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.493 -12.705 7.090 1.00 0.00 C ATOM 0 H ILE A 648 8.453 -14.374 4.438 1.00 0.00 H new ATOM 0 HA ILE A 648 6.621 -16.361 5.104 1.00 0.00 H new ATOM 0 HB ILE A 648 6.360 -13.441 4.440 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.329 -14.845 7.169 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.814 -14.269 6.439 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.239 -13.444 5.717 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.145 -14.436 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.327 -15.217 5.831 1.00 0.00 H new ATOM 0 HD11 ILE A 648 6.954 -12.644 8.076 1.00 0.00 H new ATOM 0 HD12 ILE A 648 6.928 -11.948 6.438 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.420 -12.533 7.180 1.00 0.00 H new ATOM 1141 N LEU A 649 5.974 -15.056 2.103 1.00 0.00 N ATOM 1142 CA LEU A 649 5.217 -15.368 0.904 1.00 0.00 C ATOM 1143 C LEU A 649 5.786 -16.583 0.145 1.00 0.00 C ATOM 1144 O LEU A 649 5.044 -17.249 -0.580 1.00 0.00 O ATOM 1145 CB LEU A 649 5.070 -14.133 0.005 1.00 0.00 C ATOM 1146 CG LEU A 649 4.041 -13.119 0.527 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.606 -12.091 1.505 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.418 -12.374 -0.659 1.00 0.00 C ATOM 0 H LEU A 649 6.465 -14.162 2.087 1.00 0.00 H new ATOM 0 HA LEU A 649 4.216 -15.660 1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 649 6.039 -13.642 -0.087 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.779 -14.453 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 649 3.303 -13.701 1.079 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.811 -11.416 1.822 1.00 0.00 H new ATOM 0 HD12 LEU A 649 5.016 -12.604 2.375 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.395 -11.519 1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.687 -11.653 -0.293 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.199 -11.850 -1.211 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.925 -13.088 -1.318 1.00 0.00 H new ATOM 1160 N LYS A 650 7.075 -16.901 0.326 1.00 0.00 N ATOM 1161 CA LYS A 650 7.698 -18.107 -0.247 1.00 0.00 C ATOM 1162 C LYS A 650 7.172 -19.352 0.451 1.00 0.00 C ATOM 1163 O LYS A 650 6.819 -20.344 -0.180 1.00 0.00 O ATOM 1164 CB LYS A 650 9.243 -18.069 -0.204 1.00 0.00 C ATOM 1165 CG LYS A 650 9.811 -17.160 -1.301 1.00 0.00 C ATOM 1166 CD LYS A 650 11.270 -16.734 -1.143 1.00 0.00 C ATOM 1167 CE LYS A 650 12.292 -17.851 -1.316 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.676 -17.329 -1.208 1.00 0.00 N ATOM 0 H LYS A 650 7.718 -16.330 0.874 1.00 0.00 H new ATOM 0 HA LYS A 650 7.420 -18.137 -1.301 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.573 -17.713 0.772 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.637 -19.078 -0.325 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.706 -17.672 -2.257 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.196 -16.261 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.484 -15.951 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.399 -16.295 -0.154 1.00 0.00 H new ATOM 0 HE2 LYS A 650 12.129 -18.618 -0.559 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.154 -18.327 -2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.333 -18.118 -1.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.934 -16.845 -2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.733 -16.657 -0.416 1.00 0.00 H new ATOM 1182 N ASP A 651 7.088 -19.249 1.767 1.00 0.00 N ATOM 1183 CA ASP A 651 6.683 -20.292 2.709 1.00 0.00 C ATOM 1184 C ASP A 651 5.216 -20.645 2.500 1.00 0.00 C ATOM 1185 O ASP A 651 4.830 -21.811 2.490 1.00 0.00 O ATOM 1186 CB ASP A 651 6.900 -19.783 4.137 1.00 0.00 C ATOM 1187 CG ASP A 651 6.759 -20.903 5.166 1.00 0.00 C ATOM 1188 OD1 ASP A 651 7.658 -21.772 5.185 1.00 0.00 O ATOM 1189 OD2 ASP A 651 5.772 -20.852 5.932 1.00 0.00 O ATOM 0 H ASP A 651 7.316 -18.376 2.243 1.00 0.00 H new ATOM 0 HA ASP A 651 7.282 -21.187 2.543 1.00 0.00 H new ATOM 0 HB2 ASP A 651 7.892 -19.338 4.218 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.179 -18.996 4.356 1.00 0.00 H new ATOM 1194 N LYS A 652 4.413 -19.612 2.236 1.00 0.00 N ATOM 1195 CA LYS A 652 3.009 -19.729 1.863 1.00 0.00 C ATOM 1196 C LYS A 652 2.821 -20.356 0.480 1.00 0.00 C ATOM 1197 O LYS A 652 1.683 -20.643 0.115 1.00 0.00 O ATOM 1198 CB LYS A 652 2.384 -18.327 1.899 1.00 0.00 C ATOM 1199 CG LYS A 652 2.089 -17.874 3.340 1.00 0.00 C ATOM 1200 CD LYS A 652 2.374 -16.383 3.565 1.00 0.00 C ATOM 1201 CE LYS A 652 1.289 -15.698 4.411 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.479 -14.232 4.518 1.00 0.00 N ATOM 0 H LYS A 652 4.735 -18.645 2.278 1.00 0.00 H new ATOM 0 HA LYS A 652 2.516 -20.393 2.573 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.059 -17.615 1.424 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.460 -18.325 1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.044 -18.079 3.574 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.692 -18.463 4.032 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.339 -16.271 4.058 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.449 -15.881 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 652 0.312 -15.901 3.973 1.00 0.00 H new ATOM 0 HE3 LYS A 652 1.287 -16.133 5.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 0.555 -13.758 4.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 1.936 -14.006 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 2.079 -13.902 3.736 1.00 0.00 H new ATOM 1216 N GLY A 653 3.890 -20.522 -0.309 1.00 0.00 N ATOM 1217 CA GLY A 653 3.780 -20.914 -1.705 1.00 0.00 C ATOM 1218 C GLY A 653 3.016 -19.870 -2.522 1.00 0.00 C ATOM 1219 O GLY A 653 2.402 -20.221 -3.526 1.00 0.00 O ATOM 0 H GLY A 653 4.850 -20.387 0.009 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.776 -21.049 -2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.272 -21.876 -1.775 1.00 0.00 H new ATOM 1223 N ALA A 654 3.021 -18.602 -2.086 1.00 0.00 N ATOM 1224 CA ALA A 654 2.467 -17.498 -2.854 1.00 0.00 C ATOM 1225 C ALA A 654 3.490 -17.025 -3.888 1.00 0.00 C ATOM 1226 O ALA A 654 3.123 -16.685 -5.014 1.00 0.00 O ATOM 1227 CB ALA A 654 2.065 -16.365 -1.905 1.00 0.00 C ATOM 0 H ALA A 654 3.413 -18.321 -1.187 1.00 0.00 H new ATOM 0 HA ALA A 654 1.575 -17.826 -3.388 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.650 -15.538 -2.481 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.317 -16.728 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.942 -16.021 -1.357 1.00 0.00 H new ATOM 1233 N ILE A 655 4.777 -17.025 -3.522 1.00 0.00 N ATOM 1234 CA ILE A 655 5.870 -16.684 -4.421 1.00 0.00 C ATOM 1235 C ILE A 655 6.946 -17.751 -4.303 1.00 0.00 C ATOM 1236 O ILE A 655 6.853 -18.666 -3.483 1.00 0.00 O ATOM 1237 CB ILE A 655 6.411 -15.263 -4.153 1.00 0.00 C ATOM 1238 CG1 ILE A 655 7.075 -15.163 -2.772 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.273 -14.253 -4.296 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.829 -13.855 -2.519 1.00 0.00 C ATOM 0 H ILE A 655 5.086 -17.266 -2.580 1.00 0.00 H new ATOM 0 HA ILE A 655 5.506 -16.665 -5.448 1.00 0.00 H new ATOM 0 HB ILE A 655 7.182 -15.037 -4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.308 -15.279 -2.006 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.769 -15.995 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.652 -13.249 -4.107 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.866 -14.304 -5.306 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.488 -14.485 -3.577 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.265 -13.874 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.622 -13.743 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 655 7.138 -13.016 -2.598 1.00 0.00 H new ATOM 1252 N PHE A 656 7.972 -17.627 -5.132 1.00 0.00 N ATOM 1253 CA PHE A 656 9.111 -18.508 -5.133 1.00 0.00 C ATOM 1254 C PHE A 656 10.293 -17.798 -5.763 1.00 0.00 C ATOM 1255 O PHE A 656 10.128 -16.763 -6.405 1.00 0.00 O ATOM 1256 CB PHE A 656 8.763 -19.787 -5.893 1.00 0.00 C ATOM 1257 CG PHE A 656 9.474 -20.971 -5.293 1.00 0.00 C ATOM 1258 CD1 PHE A 656 9.034 -21.480 -4.057 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.623 -21.491 -5.911 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.740 -22.531 -3.447 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.331 -22.540 -5.299 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.886 -23.062 -4.069 1.00 0.00 C ATOM 0 H PHE A 656 8.029 -16.891 -5.836 1.00 0.00 H new ATOM 0 HA PHE A 656 9.379 -18.780 -4.112 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.686 -19.951 -5.866 1.00 0.00 H new ATOM 0 HB3 PHE A 656 9.043 -19.681 -6.941 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.158 -21.065 -3.580 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.962 -21.086 -6.853 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.404 -22.931 -2.502 1.00 0.00 H new ATOM 0 HE2 PHE A 656 12.214 -22.945 -5.771 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.426 -23.872 -3.601 1.00 0.00 H new ATOM 1272 N GLU A 657 11.480 -18.381 -5.618 1.00 0.00 N ATOM 1273 CA GLU A 657 12.722 -17.819 -6.115 1.00 0.00 C ATOM 1274 C GLU A 657 13.302 -18.819 -7.123 1.00 0.00 C ATOM 1275 O GLU A 657 14.146 -19.633 -6.753 1.00 0.00 O ATOM 1276 CB GLU A 657 13.604 -17.467 -4.904 1.00 0.00 C ATOM 1277 CG GLU A 657 14.777 -16.516 -5.211 1.00 0.00 C ATOM 1278 CD GLU A 657 14.926 -15.379 -4.188 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.675 -15.646 -2.988 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.289 -14.254 -4.613 1.00 0.00 O ATOM 0 H GLU A 657 11.602 -19.275 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 657 12.612 -16.882 -6.661 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.978 -17.012 -4.137 1.00 0.00 H new ATOM 0 HB3 GLU A 657 14.004 -18.390 -4.483 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.703 -17.091 -5.241 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.636 -16.086 -6.203 1.00 0.00 H new ATOM 1287 N PRO A 658 12.805 -18.838 -8.381 1.00 0.00 N ATOM 1288 CA PRO A 658 13.204 -19.824 -9.389 1.00 0.00 C ATOM 1289 C PRO A 658 14.665 -19.676 -9.831 1.00 0.00 C ATOM 1290 O PRO A 658 15.219 -20.598 -10.428 1.00 0.00 O ATOM 1291 CB PRO A 658 12.270 -19.609 -10.579 1.00 0.00 C ATOM 1292 CG PRO A 658 11.863 -18.152 -10.440 1.00 0.00 C ATOM 1293 CD PRO A 658 11.750 -17.998 -8.930 1.00 0.00 C ATOM 0 HA PRO A 658 13.128 -20.828 -8.971 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.775 -19.798 -11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.407 -20.274 -10.539 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.607 -17.478 -10.864 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.919 -17.942 -10.943 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.878 -16.958 -8.629 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.769 -18.314 -8.574 1.00 0.00 H new ATOM 1301 N ALA A 659 15.277 -18.518 -9.566 1.00 0.00 N ATOM 1302 CA ALA A 659 16.669 -18.228 -9.872 1.00 0.00 C ATOM 1303 C ALA A 659 17.319 -17.454 -8.728 1.00 0.00 C ATOM 1304 O ALA A 659 16.704 -17.186 -7.697 1.00 0.00 O ATOM 1305 CB ALA A 659 16.762 -17.427 -11.169 1.00 0.00 C ATOM 0 H ALA A 659 14.797 -17.737 -9.119 1.00 0.00 H new ATOM 0 HA ALA A 659 17.202 -19.171 -9.997 1.00 0.00 H new ATOM 0 HB1 ALA A 659 17.808 -17.214 -11.391 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.328 -18.005 -11.985 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.217 -16.490 -11.058 1.00 0.00 H new ATOM 1311 N ARG A 660 18.582 -17.071 -8.924 1.00 0.00 N ATOM 1312 CA ARG A 660 19.364 -16.392 -7.906 1.00 0.00 C ATOM 1313 C ARG A 660 19.091 -14.913 -7.999 1.00 0.00 C ATOM 1314 O ARG A 660 19.702 -14.172 -8.764 1.00 0.00 O ATOM 1315 CB ARG A 660 20.842 -16.760 -7.974 1.00 0.00 C ATOM 1316 CG ARG A 660 20.977 -18.063 -7.180 1.00 0.00 C ATOM 1317 CD ARG A 660 22.351 -18.682 -7.357 1.00 0.00 C ATOM 1318 NE ARG A 660 23.432 -17.865 -6.772 1.00 0.00 N ATOM 1319 CZ ARG A 660 23.856 -17.882 -5.499 1.00 0.00 C ATOM 1320 NH1 ARG A 660 23.297 -18.695 -4.600 1.00 0.00 N ATOM 1321 NH2 ARG A 660 24.848 -17.074 -5.124 1.00 0.00 N ATOM 0 H ARG A 660 19.086 -17.226 -9.797 1.00 0.00 H new ATOM 0 HA ARG A 660 19.057 -16.727 -6.915 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.166 -16.894 -9.006 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.462 -15.973 -7.545 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.799 -17.866 -6.123 1.00 0.00 H new ATOM 0 HG3 ARG A 660 20.214 -18.770 -7.506 1.00 0.00 H new ATOM 0 HD2 ARG A 660 22.360 -19.670 -6.897 1.00 0.00 H new ATOM 0 HD3 ARG A 660 22.545 -18.824 -8.420 1.00 0.00 H new ATOM 0 HE ARG A 660 23.907 -17.219 -7.402 1.00 0.00 H new ATOM 0 HH11 ARG A 660 22.536 -19.315 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 660 23.631 -18.696 -3.636 1.00 0.00 H new ATOM 0 HH21 ARG A 660 25.280 -16.448 -5.803 1.00 0.00 H new ATOM 0 HH22 ARG A 660 25.175 -17.082 -4.158 1.00 0.00 H new ATOM 1335 N GLY A 661 18.116 -14.550 -7.187 1.00 0.00 N ATOM 1336 CA GLY A 661 17.641 -13.199 -6.998 1.00 0.00 C ATOM 1337 C GLY A 661 16.579 -12.783 -8.006 1.00 0.00 C ATOM 1338 O GLY A 661 16.561 -11.621 -8.410 1.00 0.00 O ATOM 0 H GLY A 661 17.611 -15.226 -6.614 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.233 -13.103 -5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.485 -12.512 -7.067 1.00 0.00 H new ATOM 1342 N TYR A 662 15.686 -13.705 -8.381 1.00 0.00 N ATOM 1343 CA TYR A 662 14.476 -13.433 -9.155 1.00 0.00 C ATOM 1344 C TYR A 662 13.321 -14.093 -8.404 1.00 0.00 C ATOM 1345 O TYR A 662 13.390 -15.296 -8.165 1.00 0.00 O ATOM 1346 CB TYR A 662 14.678 -13.903 -10.619 1.00 0.00 C ATOM 1347 CG TYR A 662 13.557 -14.609 -11.375 1.00 0.00 C ATOM 1348 CD1 TYR A 662 12.208 -14.271 -11.181 1.00 0.00 C ATOM 1349 CD2 TYR A 662 13.881 -15.567 -12.357 1.00 0.00 C ATOM 1350 CE1 TYR A 662 11.194 -14.883 -11.928 1.00 0.00 C ATOM 1351 CE2 TYR A 662 12.879 -16.145 -13.156 1.00 0.00 C ATOM 1352 CZ TYR A 662 11.526 -15.791 -12.954 1.00 0.00 C ATOM 1353 OH TYR A 662 10.567 -16.204 -13.825 1.00 0.00 O ATOM 0 H TYR A 662 15.791 -14.692 -8.145 1.00 0.00 H new ATOM 0 HA TYR A 662 14.243 -12.372 -9.244 1.00 0.00 H new ATOM 0 HB2 TYR A 662 14.953 -13.024 -11.202 1.00 0.00 H new ATOM 0 HB3 TYR A 662 15.539 -14.572 -10.625 1.00 0.00 H new ATOM 0 HD1 TYR A 662 11.948 -13.526 -10.443 1.00 0.00 H new ATOM 0 HD2 TYR A 662 14.911 -15.860 -12.497 1.00 0.00 H new ATOM 0 HE1 TYR A 662 10.158 -14.660 -11.718 1.00 0.00 H new ATOM 0 HE2 TYR A 662 13.143 -16.858 -13.923 1.00 0.00 H new ATOM 0 HH TYR A 662 9.891 -15.502 -13.924 1.00 0.00 H new ATOM 1363 N LEU A 663 12.284 -13.320 -8.042 1.00 0.00 N ATOM 1364 CA LEU A 663 11.091 -13.781 -7.337 1.00 0.00 C ATOM 1365 C LEU A 663 9.889 -13.881 -8.272 1.00 0.00 C ATOM 1366 O LEU A 663 9.351 -12.870 -8.700 1.00 0.00 O ATOM 1367 CB LEU A 663 10.746 -12.822 -6.188 1.00 0.00 C ATOM 1368 CG LEU A 663 11.600 -13.065 -4.938 1.00 0.00 C ATOM 1369 CD1 LEU A 663 11.307 -11.958 -3.929 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.382 -14.435 -4.287 1.00 0.00 C ATOM 0 H LEU A 663 12.259 -12.320 -8.243 1.00 0.00 H new ATOM 0 HA LEU A 663 11.313 -14.773 -6.943 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.885 -11.794 -6.524 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.693 -12.934 -5.931 1.00 0.00 H new ATOM 0 HG LEU A 663 12.643 -13.053 -5.255 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.907 -12.115 -3.032 1.00 0.00 H new ATOM 0 HD12 LEU A 663 11.556 -10.991 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 663 10.249 -11.976 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.023 -14.527 -3.410 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.339 -14.533 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 663 11.629 -15.221 -5.001 1.00 0.00 H new ATOM 1382 N LYS A 664 9.434 -15.102 -8.541 1.00 0.00 N ATOM 1383 CA LYS A 664 8.237 -15.401 -9.319 1.00 0.00 C ATOM 1384 C LYS A 664 7.037 -15.502 -8.392 1.00 0.00 C ATOM 1385 O LYS A 664 7.143 -16.084 -7.312 1.00 0.00 O ATOM 1386 CB LYS A 664 8.511 -16.724 -10.061 1.00 0.00 C ATOM 1387 CG LYS A 664 7.277 -17.368 -10.683 1.00 0.00 C ATOM 1388 CD LYS A 664 7.532 -18.728 -11.346 1.00 0.00 C ATOM 1389 CE LYS A 664 6.389 -19.073 -12.325 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.019 -18.872 -11.781 1.00 0.00 N ATOM 0 H LYS A 664 9.908 -15.942 -8.210 1.00 0.00 H new ATOM 0 HA LYS A 664 8.009 -14.616 -10.041 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.244 -16.540 -10.846 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.961 -17.430 -9.364 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.519 -17.492 -9.910 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.864 -16.687 -11.428 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.482 -18.707 -11.880 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.612 -19.502 -10.583 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.502 -18.464 -13.222 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.494 -20.114 -12.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.326 -18.929 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 4.813 -19.609 -11.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 4.958 -17.937 -11.330 1.00 0.00 H new ATOM 1404 N ILE A 665 5.881 -15.017 -8.850 1.00 0.00 N ATOM 1405 CA ILE A 665 4.601 -15.380 -8.248 1.00 0.00 C ATOM 1406 C ILE A 665 4.250 -16.793 -8.705 1.00 0.00 C ATOM 1407 O ILE A 665 4.287 -17.052 -9.912 1.00 0.00 O ATOM 1408 CB ILE A 665 3.477 -14.386 -8.604 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.898 -12.967 -8.178 1.00 0.00 C ATOM 1410 CG2 ILE A 665 2.174 -14.836 -7.913 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.885 -11.869 -8.491 1.00 0.00 C ATOM 0 H ILE A 665 5.807 -14.372 -9.636 1.00 0.00 H new ATOM 0 HA ILE A 665 4.696 -15.342 -7.163 1.00 0.00 H new ATOM 0 HB ILE A 665 3.300 -14.369 -9.679 1.00 0.00 H new ATOM 0 HG12 ILE A 665 4.089 -12.968 -7.105 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.840 -12.722 -8.669 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.373 -14.139 -8.159 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.905 -15.834 -8.258 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.322 -14.853 -6.833 1.00 0.00 H new ATOM 0 HD11 ILE A 665 3.274 -10.908 -8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.710 -11.831 -9.566 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.947 -12.082 -7.978 1.00 0.00 H new ATOM 1423 N VAL A 666 3.943 -17.692 -7.757 1.00 0.00 N ATOM 1424 CA VAL A 666 3.800 -19.126 -8.023 1.00 0.00 C ATOM 1425 C VAL A 666 2.860 -19.407 -9.193 1.00 0.00 C ATOM 1426 O VAL A 666 3.366 -20.059 -10.140 1.00 0.00 O ATOM 1427 CB VAL A 666 3.444 -19.886 -6.725 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.887 -21.302 -6.944 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.725 -20.017 -5.891 1.00 0.00 C ATOM 1430 OXT VAL A 666 1.696 -18.958 -9.146 1.00 0.00 O ATOM 0 H VAL A 666 3.787 -17.440 -6.781 1.00 0.00 H new ATOM 0 HA VAL A 666 4.763 -19.516 -8.351 1.00 0.00 H new ATOM 0 HB VAL A 666 2.658 -19.311 -6.235 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.666 -21.759 -5.980 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.974 -21.246 -7.537 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.626 -21.906 -7.471 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.504 -20.551 -4.966 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.474 -20.569 -6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 666 5.108 -19.024 -5.654 1.00 0.00 H new