USER MOD reduce.3.24.130724 H: found=0, std=0, add=565, rem=0, adj=15 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 Set 1.1: A 638 SER OG : rot -150:sc= 0.524 USER MOD Set 1.2: A 641 LYS NZ :NH3+ -171:sc= 1.72 (180deg=0.991) USER MOD Single : A 603 LYS NZ :NH3+ -135:sc= 1.11 (180deg=-0.151!) USER MOD Single : A 612 LYS NZ :NH3+ -165:sc= 1.28 (180deg=1.12) USER MOD Single : A 614 TYR OH : rot -150:sc= 1.02 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot -142:sc= 0.915 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 101:sc= 1.22 USER MOD Single : A 631 MET CE :methyl 145:sc= -0.181 (180deg=-0.9) USER MOD Single : A 632 MET CE :methyl -166:sc= -0.741 (180deg=-1.45) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= -0.301 X(o=-0.3,f=-0.66) USER MOD Single : A 650 LYS NZ :NH3+ -168:sc= 1.23 (180deg=1.21) USER MOD Single : A 652 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0536) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 LYS NZ :NH3+ -164:sc= 0.414 (180deg=0.299) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -4.357 -2.791 2.494 1.00 0.00 N ATOM 325 CA ARG A 601 -3.026 -3.175 2.030 1.00 0.00 C ATOM 326 C ARG A 601 -2.257 -3.764 3.207 1.00 0.00 C ATOM 327 O ARG A 601 -2.695 -3.647 4.349 1.00 0.00 O ATOM 328 CB ARG A 601 -2.300 -1.965 1.395 1.00 0.00 C ATOM 329 CG ARG A 601 -1.964 -0.788 2.337 1.00 0.00 C ATOM 330 CD ARG A 601 -0.608 -0.937 3.048 1.00 0.00 C ATOM 331 NE ARG A 601 -0.324 0.198 3.943 1.00 0.00 N ATOM 332 CZ ARG A 601 0.342 1.325 3.645 1.00 0.00 C ATOM 333 NH1 ARG A 601 0.778 1.557 2.406 1.00 0.00 N ATOM 334 NH2 ARG A 601 0.574 2.226 4.600 1.00 0.00 N ATOM 0 HA ARG A 601 -3.098 -3.932 1.249 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.371 -2.321 0.949 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.919 -1.585 0.582 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.964 0.138 1.762 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.750 -0.698 3.087 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.601 -1.863 3.624 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.184 -1.018 2.304 1.00 0.00 H new ATOM 0 HE ARG A 601 -0.673 0.119 4.898 1.00 0.00 H new ATOM 0 HH11 ARG A 601 0.607 0.873 1.669 1.00 0.00 H new ATOM 0 HH12 ARG A 601 1.282 2.418 2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 601 0.246 2.057 5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 601 1.079 3.084 4.380 1.00 0.00 H new ATOM 348 N ASP A 602 -1.083 -4.331 2.932 1.00 0.00 N ATOM 349 CA ASP A 602 -0.122 -4.775 3.931 1.00 0.00 C ATOM 350 C ASP A 602 1.264 -4.753 3.316 1.00 0.00 C ATOM 351 O ASP A 602 1.365 -4.837 2.103 1.00 0.00 O ATOM 352 CB ASP A 602 -0.392 -6.228 4.327 1.00 0.00 C ATOM 353 CG ASP A 602 0.484 -6.584 5.533 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.407 -5.921 6.586 1.00 0.00 O ATOM 355 OD2 ASP A 602 1.448 -7.357 5.341 1.00 0.00 O ATOM 0 H ASP A 602 -0.768 -4.498 1.976 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.202 -4.119 4.798 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.445 -6.362 4.573 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.173 -6.893 3.492 1.00 0.00 H new ATOM 360 N LYS A 603 2.313 -4.801 4.133 1.00 0.00 N ATOM 361 CA LYS A 603 3.684 -5.140 3.757 1.00 0.00 C ATOM 362 C LYS A 603 3.727 -6.310 2.760 1.00 0.00 C ATOM 363 O LYS A 603 4.345 -6.191 1.704 1.00 0.00 O ATOM 364 CB LYS A 603 4.477 -5.530 5.024 1.00 0.00 C ATOM 365 CG LYS A 603 4.161 -4.779 6.333 1.00 0.00 C ATOM 366 CD LYS A 603 4.701 -5.518 7.571 1.00 0.00 C ATOM 367 CE LYS A 603 4.190 -6.961 7.783 1.00 0.00 C ATOM 368 NZ LYS A 603 2.715 -7.114 7.710 1.00 0.00 N ATOM 0 H LYS A 603 2.226 -4.594 5.128 1.00 0.00 H new ATOM 0 HA LYS A 603 4.127 -4.267 3.278 1.00 0.00 H new ATOM 0 HB2 LYS A 603 4.320 -6.594 5.203 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.537 -5.396 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 603 4.594 -3.780 6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.082 -4.655 6.428 1.00 0.00 H new ATOM 0 HD2 LYS A 603 5.789 -5.546 7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 603 4.450 -4.933 8.456 1.00 0.00 H new ATOM 0 HE2 LYS A 603 4.646 -7.607 7.033 1.00 0.00 H new ATOM 0 HE3 LYS A 603 4.530 -7.313 8.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 2.389 -7.713 8.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 2.265 -6.179 7.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 2.456 -7.558 6.806 1.00 0.00 H new ATOM 382 N PHE A 604 3.053 -7.422 3.084 1.00 0.00 N ATOM 383 CA PHE A 604 2.949 -8.622 2.257 1.00 0.00 C ATOM 384 C PHE A 604 2.432 -8.267 0.865 1.00 0.00 C ATOM 385 O PHE A 604 2.991 -8.675 -0.151 1.00 0.00 O ATOM 386 CB PHE A 604 1.982 -9.612 2.941 1.00 0.00 C ATOM 387 CG PHE A 604 2.382 -10.120 4.322 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.734 -10.307 4.674 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.382 -10.378 5.282 1.00 0.00 C ATOM 390 CE1 PHE A 604 4.078 -10.684 5.982 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.727 -10.779 6.585 1.00 0.00 C ATOM 392 CZ PHE A 604 3.079 -10.924 6.939 1.00 0.00 C ATOM 0 H PHE A 604 2.547 -7.509 3.965 1.00 0.00 H new ATOM 0 HA PHE A 604 3.934 -9.077 2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 604 1.007 -9.132 3.025 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.857 -10.474 2.285 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.508 -10.160 3.935 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.342 -10.267 5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 604 5.118 -10.790 6.254 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.954 -10.975 7.313 1.00 0.00 H new ATOM 0 HZ PHE A 604 3.349 -11.219 7.942 1.00 0.00 H new ATOM 402 N ARG A 605 1.352 -7.488 0.834 1.00 0.00 N ATOM 403 CA ARG A 605 0.713 -7.018 -0.378 1.00 0.00 C ATOM 404 C ARG A 605 1.614 -6.016 -1.109 1.00 0.00 C ATOM 405 O ARG A 605 1.772 -6.153 -2.313 1.00 0.00 O ATOM 406 CB ARG A 605 -0.667 -6.452 -0.003 1.00 0.00 C ATOM 407 CG ARG A 605 -1.749 -7.535 0.172 1.00 0.00 C ATOM 408 CD ARG A 605 -2.035 -7.799 1.659 1.00 0.00 C ATOM 409 NE ARG A 605 -3.350 -8.411 1.918 1.00 0.00 N ATOM 410 CZ ARG A 605 -4.519 -7.751 1.891 1.00 0.00 C ATOM 411 NH1 ARG A 605 -4.607 -6.556 1.314 1.00 0.00 N ATOM 412 NH2 ARG A 605 -5.607 -8.277 2.443 1.00 0.00 N ATOM 0 H ARG A 605 0.889 -7.161 1.682 1.00 0.00 H new ATOM 0 HA ARG A 605 0.559 -7.834 -1.084 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.579 -5.885 0.924 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.986 -5.752 -0.776 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.666 -7.221 -0.327 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.424 -8.458 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.258 -8.451 2.058 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.971 -6.857 2.203 1.00 0.00 H new ATOM 0 HE ARG A 605 -3.374 -9.408 2.133 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -3.782 -6.134 0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -5.499 -6.062 1.298 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -5.559 -9.191 2.893 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -6.490 -7.767 2.417 1.00 0.00 H new ATOM 426 N LEU A 606 2.258 -5.070 -0.417 1.00 0.00 N ATOM 427 CA LEU A 606 3.155 -4.077 -0.996 1.00 0.00 C ATOM 428 C LEU A 606 4.280 -4.796 -1.735 1.00 0.00 C ATOM 429 O LEU A 606 4.558 -4.472 -2.890 1.00 0.00 O ATOM 430 CB LEU A 606 3.711 -3.119 0.078 1.00 0.00 C ATOM 431 CG LEU A 606 2.686 -2.165 0.734 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.375 -1.348 1.834 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.014 -1.233 -0.279 1.00 0.00 C ATOM 0 H LEU A 606 2.163 -4.976 0.594 1.00 0.00 H new ATOM 0 HA LEU A 606 2.596 -3.462 -1.701 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.176 -3.716 0.863 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.500 -2.517 -0.374 1.00 0.00 H new ATOM 0 HG LEU A 606 1.896 -2.780 1.166 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.651 -0.676 2.295 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.778 -2.022 2.590 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.186 -0.764 1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.305 -0.586 0.237 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.772 -0.622 -0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.487 -1.827 -1.026 1.00 0.00 H new ATOM 445 N LEU A 607 4.870 -5.817 -1.096 1.00 0.00 N ATOM 446 CA LEU A 607 5.861 -6.659 -1.740 1.00 0.00 C ATOM 447 C LEU A 607 5.241 -7.354 -2.958 1.00 0.00 C ATOM 448 O LEU A 607 5.825 -7.309 -4.036 1.00 0.00 O ATOM 449 CB LEU A 607 6.492 -7.661 -0.746 1.00 0.00 C ATOM 450 CG LEU A 607 7.531 -8.592 -1.417 1.00 0.00 C ATOM 451 CD1 LEU A 607 8.949 -8.089 -1.149 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.381 -10.034 -0.921 1.00 0.00 C ATOM 0 H LEU A 607 4.669 -6.072 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 607 6.679 -6.031 -2.092 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.972 -7.111 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.704 -8.266 -0.297 1.00 0.00 H new ATOM 0 HG LEU A 607 7.348 -8.580 -2.491 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.668 -8.754 -1.627 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.061 -7.083 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.131 -8.070 -0.075 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.123 -10.666 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.531 -10.065 0.158 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.382 -10.399 -1.159 1.00 0.00 H new ATOM 464 N LEU A 608 4.075 -7.994 -2.816 1.00 0.00 N ATOM 465 CA LEU A 608 3.512 -8.843 -3.854 1.00 0.00 C ATOM 466 C LEU A 608 3.143 -8.032 -5.097 1.00 0.00 C ATOM 467 O LEU A 608 3.310 -8.514 -6.210 1.00 0.00 O ATOM 468 CB LEU A 608 2.289 -9.559 -3.257 1.00 0.00 C ATOM 469 CG LEU A 608 1.571 -10.516 -4.218 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.462 -11.697 -4.612 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.295 -11.049 -3.554 1.00 0.00 C ATOM 0 H LEU A 608 3.500 -7.933 -1.975 1.00 0.00 H new ATOM 0 HA LEU A 608 4.248 -9.578 -4.182 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.607 -10.120 -2.378 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.577 -8.808 -2.915 1.00 0.00 H new ATOM 0 HG LEU A 608 1.325 -9.958 -5.121 1.00 0.00 H new ATOM 0 HD11 LEU A 608 1.918 -12.352 -5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.361 -11.326 -5.105 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.743 -12.255 -3.719 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.214 -11.729 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.556 -11.582 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.365 -10.216 -3.312 1.00 0.00 H new ATOM 483 N GLU A 609 2.667 -6.803 -4.913 1.00 0.00 N ATOM 484 CA GLU A 609 2.325 -5.850 -5.950 1.00 0.00 C ATOM 485 C GLU A 609 3.604 -5.380 -6.656 1.00 0.00 C ATOM 486 O GLU A 609 3.653 -5.343 -7.886 1.00 0.00 O ATOM 487 CB GLU A 609 1.505 -4.716 -5.318 1.00 0.00 C ATOM 488 CG GLU A 609 0.177 -5.231 -4.713 1.00 0.00 C ATOM 489 CD GLU A 609 -0.960 -5.371 -5.727 1.00 0.00 C ATOM 490 OE1 GLU A 609 -1.532 -4.334 -6.123 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.268 -6.534 -6.087 1.00 0.00 O ATOM 0 H GLU A 609 2.502 -6.430 -3.978 1.00 0.00 H new ATOM 0 HA GLU A 609 1.703 -6.300 -6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.095 -4.232 -4.540 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.291 -3.959 -6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.355 -6.200 -4.247 1.00 0.00 H new ATOM 0 HG3 GLU A 609 -0.138 -4.550 -3.922 1.00 0.00 H new ATOM 498 N LEU A 610 4.688 -5.136 -5.910 1.00 0.00 N ATOM 499 CA LEU A 610 5.981 -4.869 -6.528 1.00 0.00 C ATOM 500 C LEU A 610 6.493 -6.089 -7.295 1.00 0.00 C ATOM 501 O LEU A 610 7.151 -5.910 -8.315 1.00 0.00 O ATOM 502 CB LEU A 610 7.013 -4.443 -5.471 1.00 0.00 C ATOM 503 CG LEU A 610 6.955 -2.952 -5.098 1.00 0.00 C ATOM 504 CD1 LEU A 610 7.509 -2.744 -3.690 1.00 0.00 C ATOM 505 CD2 LEU A 610 7.827 -2.120 -6.039 1.00 0.00 C ATOM 0 H LEU A 610 4.691 -5.119 -4.890 1.00 0.00 H new ATOM 0 HA LEU A 610 5.843 -4.052 -7.236 1.00 0.00 H new ATOM 0 HB2 LEU A 610 6.860 -5.037 -4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.012 -4.675 -5.841 1.00 0.00 H new ATOM 0 HG LEU A 610 5.912 -2.641 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.464 -1.685 -3.434 1.00 0.00 H new ATOM 0 HD12 LEU A 610 6.914 -3.315 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 610 8.544 -3.083 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 610 7.769 -1.069 -5.755 1.00 0.00 H new ATOM 0 HD22 LEU A 610 8.861 -2.458 -5.971 1.00 0.00 H new ATOM 0 HD23 LEU A 610 7.473 -2.239 -7.063 1.00 0.00 H new ATOM 517 N ILE A 611 6.188 -7.322 -6.863 1.00 0.00 N ATOM 518 CA ILE A 611 6.575 -8.505 -7.633 1.00 0.00 C ATOM 519 C ILE A 611 5.890 -8.439 -9.000 1.00 0.00 C ATOM 520 O ILE A 611 6.553 -8.656 -10.007 1.00 0.00 O ATOM 521 CB ILE A 611 6.330 -9.844 -6.888 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.218 -9.925 -5.630 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.675 -11.049 -7.787 1.00 0.00 C ATOM 524 CD1 ILE A 611 6.879 -11.052 -4.658 1.00 0.00 C ATOM 0 H ILE A 611 5.683 -7.521 -5.999 1.00 0.00 H new ATOM 0 HA ILE A 611 7.656 -8.491 -7.773 1.00 0.00 H new ATOM 0 HB ILE A 611 5.275 -9.876 -6.616 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.255 -10.040 -5.945 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.150 -8.977 -5.097 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.494 -11.974 -7.240 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.050 -11.027 -8.680 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.725 -10.998 -8.077 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.563 -11.019 -3.810 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.855 -10.932 -4.304 1.00 0.00 H new ATOM 0 HD13 ILE A 611 6.977 -12.012 -5.165 1.00 0.00 H new ATOM 536 N LYS A 612 4.603 -8.083 -9.080 1.00 0.00 N ATOM 537 CA LYS A 612 3.885 -8.176 -10.354 1.00 0.00 C ATOM 538 C LYS A 612 4.286 -7.026 -11.263 1.00 0.00 C ATOM 539 O LYS A 612 4.362 -7.215 -12.477 1.00 0.00 O ATOM 540 CB LYS A 612 2.356 -8.299 -10.201 1.00 0.00 C ATOM 541 CG LYS A 612 1.738 -7.438 -9.095 1.00 0.00 C ATOM 542 CD LYS A 612 0.223 -7.574 -8.960 1.00 0.00 C ATOM 543 CE LYS A 612 -0.118 -8.840 -8.167 1.00 0.00 C ATOM 544 NZ LYS A 612 -1.456 -8.731 -7.558 1.00 0.00 N ATOM 0 H LYS A 612 4.049 -7.736 -8.297 1.00 0.00 H new ATOM 0 HA LYS A 612 4.186 -9.113 -10.823 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.890 -8.033 -11.150 1.00 0.00 H new ATOM 0 HB3 LYS A 612 2.110 -9.343 -10.007 1.00 0.00 H new ATOM 0 HG2 LYS A 612 2.200 -7.703 -8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 612 1.981 -6.393 -9.287 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.186 -6.698 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.236 -7.618 -9.947 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.083 -9.708 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.629 -9.000 -7.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -1.567 -9.466 -6.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 -1.563 -7.793 -7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -2.183 -8.857 -8.291 1.00 0.00 H new ATOM 558 N GLU A 613 4.601 -5.859 -10.690 1.00 0.00 N ATOM 559 CA GLU A 613 5.030 -4.725 -11.487 1.00 0.00 C ATOM 560 C GLU A 613 6.435 -4.928 -12.074 1.00 0.00 C ATOM 561 O GLU A 613 6.770 -4.273 -13.058 1.00 0.00 O ATOM 562 CB GLU A 613 4.843 -3.408 -10.722 1.00 0.00 C ATOM 563 CG GLU A 613 6.062 -2.973 -9.918 1.00 0.00 C ATOM 564 CD GLU A 613 5.864 -1.587 -9.302 1.00 0.00 C ATOM 565 OE1 GLU A 613 5.206 -1.449 -8.246 1.00 0.00 O ATOM 566 OE2 GLU A 613 6.423 -0.618 -9.857 1.00 0.00 O ATOM 0 H GLU A 613 4.565 -5.684 -9.686 1.00 0.00 H new ATOM 0 HA GLU A 613 4.379 -4.652 -12.358 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.591 -2.621 -11.433 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.994 -3.511 -10.046 1.00 0.00 H new ATOM 0 HG2 GLU A 613 6.256 -3.699 -9.128 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.940 -2.963 -10.564 1.00 0.00 H new ATOM 573 N TYR A 614 7.232 -5.849 -11.509 1.00 0.00 N ATOM 574 CA TYR A 614 8.623 -6.068 -11.896 1.00 0.00 C ATOM 575 C TYR A 614 8.836 -7.446 -12.517 1.00 0.00 C ATOM 576 O TYR A 614 9.862 -7.688 -13.152 1.00 0.00 O ATOM 577 CB TYR A 614 9.568 -5.833 -10.711 1.00 0.00 C ATOM 578 CG TYR A 614 10.014 -4.394 -10.574 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.899 -3.856 -11.529 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.550 -3.594 -9.514 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.323 -2.522 -11.429 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.967 -2.255 -9.411 1.00 0.00 C ATOM 583 CZ TYR A 614 10.861 -1.713 -10.367 1.00 0.00 C ATOM 584 OH TYR A 614 11.292 -0.423 -10.277 1.00 0.00 O ATOM 0 H TYR A 614 6.918 -6.468 -10.761 1.00 0.00 H new ATOM 0 HA TYR A 614 8.863 -5.336 -12.667 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.069 -6.140 -9.792 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.446 -6.469 -10.825 1.00 0.00 H new ATOM 0 HD1 TYR A 614 11.253 -4.473 -12.342 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.874 -4.008 -8.780 1.00 0.00 H new ATOM 0 HE1 TYR A 614 12.002 -2.114 -12.163 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.605 -1.639 -8.601 1.00 0.00 H new ATOM 0 HH TYR A 614 11.316 -0.151 -9.336 1.00 0.00 H new ATOM 594 N GLU A 615 7.858 -8.342 -12.387 1.00 0.00 N ATOM 595 CA GLU A 615 7.734 -9.526 -13.199 1.00 0.00 C ATOM 596 C GLU A 615 7.693 -9.072 -14.654 1.00 0.00 C ATOM 597 O GLU A 615 8.657 -9.310 -15.378 1.00 0.00 O ATOM 598 CB GLU A 615 6.492 -10.331 -12.793 1.00 0.00 C ATOM 599 CG GLU A 615 6.791 -11.442 -11.775 1.00 0.00 C ATOM 600 CD GLU A 615 5.535 -12.217 -11.358 1.00 0.00 C ATOM 601 OE1 GLU A 615 4.489 -11.574 -11.123 1.00 0.00 O ATOM 602 OE2 GLU A 615 5.644 -13.458 -11.225 1.00 0.00 O ATOM 0 H GLU A 615 7.117 -8.251 -11.692 1.00 0.00 H new ATOM 0 HA GLU A 615 8.581 -10.197 -13.057 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.750 -9.653 -12.372 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.048 -10.775 -13.684 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.515 -12.135 -12.202 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.253 -11.004 -10.890 1.00 0.00 H new ATOM 609 N ASP A 616 6.629 -8.382 -15.078 1.00 0.00 N ATOM 610 CA ASP A 616 6.371 -8.095 -16.489 1.00 0.00 C ATOM 611 C ASP A 616 7.477 -7.234 -17.105 1.00 0.00 C ATOM 612 O ASP A 616 7.764 -7.343 -18.293 1.00 0.00 O ATOM 613 CB ASP A 616 5.004 -7.414 -16.624 1.00 0.00 C ATOM 614 CG ASP A 616 4.541 -7.367 -18.082 1.00 0.00 C ATOM 615 OD1 ASP A 616 4.434 -8.465 -18.675 1.00 0.00 O ATOM 616 OD2 ASP A 616 4.252 -6.250 -18.562 1.00 0.00 O ATOM 0 H ASP A 616 5.921 -8.006 -14.448 1.00 0.00 H new ATOM 0 HA ASP A 616 6.363 -9.036 -17.039 1.00 0.00 H new ATOM 0 HB2 ASP A 616 4.268 -7.951 -16.025 1.00 0.00 H new ATOM 0 HB3 ASP A 616 5.061 -6.401 -16.226 1.00 0.00 H new ATOM 621 N ASP A 617 8.175 -6.467 -16.264 1.00 0.00 N ATOM 622 CA ASP A 617 9.282 -5.598 -16.636 1.00 0.00 C ATOM 623 C ASP A 617 10.498 -6.406 -17.083 1.00 0.00 C ATOM 624 O ASP A 617 11.232 -6.018 -17.989 1.00 0.00 O ATOM 625 CB ASP A 617 9.631 -4.763 -15.407 1.00 0.00 C ATOM 626 CG ASP A 617 10.742 -3.741 -15.654 1.00 0.00 C ATOM 627 OD1 ASP A 617 10.561 -2.893 -16.555 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.743 -3.808 -14.904 1.00 0.00 O ATOM 0 H ASP A 617 7.972 -6.437 -15.265 1.00 0.00 H new ATOM 0 HA ASP A 617 8.993 -4.965 -17.475 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.737 -4.240 -15.068 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.935 -5.430 -14.600 1.00 0.00 H new ATOM 633 N TYR A 618 10.674 -7.571 -16.457 1.00 0.00 N ATOM 634 CA TYR A 618 11.713 -8.540 -16.759 1.00 0.00 C ATOM 635 C TYR A 618 11.151 -9.713 -17.573 1.00 0.00 C ATOM 636 O TYR A 618 11.900 -10.609 -17.962 1.00 0.00 O ATOM 637 CB TYR A 618 12.327 -8.987 -15.428 1.00 0.00 C ATOM 638 CG TYR A 618 13.424 -8.059 -14.936 1.00 0.00 C ATOM 639 CD1 TYR A 618 13.104 -6.782 -14.438 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.775 -8.446 -15.043 1.00 0.00 C ATOM 641 CE1 TYR A 618 14.123 -5.882 -14.084 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.802 -7.557 -14.675 1.00 0.00 C ATOM 643 CZ TYR A 618 15.478 -6.261 -14.207 1.00 0.00 C ATOM 644 OH TYR A 618 16.462 -5.387 -13.853 1.00 0.00 O ATOM 0 H TYR A 618 10.067 -7.872 -15.694 1.00 0.00 H new ATOM 0 HA TYR A 618 12.490 -8.096 -17.382 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.542 -9.044 -14.674 1.00 0.00 H new ATOM 0 HB3 TYR A 618 12.733 -9.992 -15.542 1.00 0.00 H new ATOM 0 HD1 TYR A 618 12.069 -6.492 -14.327 1.00 0.00 H new ATOM 0 HD2 TYR A 618 15.024 -9.431 -15.410 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.870 -4.898 -13.717 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.835 -7.863 -14.749 1.00 0.00 H new ATOM 0 HH TYR A 618 17.337 -5.804 -13.997 1.00 0.00 H new ATOM 654 N GLY A 619 9.838 -9.727 -17.825 1.00 0.00 N ATOM 655 CA GLY A 619 9.174 -10.800 -18.562 1.00 0.00 C ATOM 656 C GLY A 619 8.956 -12.031 -17.680 1.00 0.00 C ATOM 657 O GLY A 619 9.083 -13.171 -18.134 1.00 0.00 O ATOM 0 H GLY A 619 9.205 -8.988 -17.520 1.00 0.00 H new ATOM 0 HA2 GLY A 619 8.214 -10.445 -18.938 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.775 -11.074 -19.429 1.00 0.00 H new ATOM 661 N GLY A 620 8.677 -11.796 -16.398 1.00 0.00 N ATOM 662 CA GLY A 620 8.214 -12.742 -15.400 1.00 0.00 C ATOM 663 C GLY A 620 9.222 -13.014 -14.284 1.00 0.00 C ATOM 664 O GLY A 620 9.209 -14.130 -13.769 1.00 0.00 O ATOM 0 H GLY A 620 8.780 -10.860 -16.005 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.292 -12.365 -14.958 1.00 0.00 H new ATOM 0 HA3 GLY A 620 7.970 -13.683 -15.892 1.00 0.00 H new ATOM 668 N ARG A 621 10.135 -12.073 -13.959 1.00 0.00 N ATOM 669 CA ARG A 621 11.318 -12.409 -13.146 1.00 0.00 C ATOM 670 C ARG A 621 11.602 -11.542 -11.913 1.00 0.00 C ATOM 671 O ARG A 621 12.444 -11.952 -11.127 1.00 0.00 O ATOM 672 CB ARG A 621 12.603 -12.484 -14.003 1.00 0.00 C ATOM 673 CG ARG A 621 12.459 -12.930 -15.469 1.00 0.00 C ATOM 674 CD ARG A 621 12.036 -14.394 -15.639 1.00 0.00 C ATOM 675 NE ARG A 621 11.239 -14.555 -16.868 1.00 0.00 N ATOM 676 CZ ARG A 621 11.345 -15.469 -17.837 1.00 0.00 C ATOM 677 NH1 ARG A 621 12.254 -16.442 -17.784 1.00 0.00 N ATOM 678 NH2 ARG A 621 10.510 -15.384 -18.870 1.00 0.00 N ATOM 0 H ARG A 621 10.076 -11.095 -14.242 1.00 0.00 H new ATOM 0 HA ARG A 621 11.038 -13.385 -12.750 1.00 0.00 H new ATOM 0 HB2 ARG A 621 13.069 -11.499 -13.996 1.00 0.00 H new ATOM 0 HB3 ARG A 621 13.295 -13.167 -13.511 1.00 0.00 H new ATOM 0 HG2 ARG A 621 11.726 -12.292 -15.961 1.00 0.00 H new ATOM 0 HG3 ARG A 621 13.410 -12.776 -15.980 1.00 0.00 H new ATOM 0 HD2 ARG A 621 12.919 -15.032 -15.683 1.00 0.00 H new ATOM 0 HD3 ARG A 621 11.454 -14.714 -14.775 1.00 0.00 H new ATOM 0 HE ARG A 621 10.497 -13.867 -16.998 1.00 0.00 H new ATOM 0 HH11 ARG A 621 12.891 -16.502 -16.990 1.00 0.00 H new ATOM 0 HH12 ARG A 621 12.313 -17.127 -18.538 1.00 0.00 H new ATOM 0 HH21 ARG A 621 9.816 -14.637 -18.905 1.00 0.00 H new ATOM 0 HH22 ARG A 621 10.564 -16.066 -19.627 1.00 0.00 H new ATOM 692 N ALA A 622 10.971 -10.375 -11.748 1.00 0.00 N ATOM 693 CA ALA A 622 11.012 -9.504 -10.564 1.00 0.00 C ATOM 694 C ALA A 622 12.282 -9.618 -9.686 1.00 0.00 C ATOM 695 O ALA A 622 12.276 -10.365 -8.705 1.00 0.00 O ATOM 696 CB ALA A 622 9.751 -9.735 -9.731 1.00 0.00 C ATOM 0 H ALA A 622 10.380 -9.987 -12.483 1.00 0.00 H new ATOM 0 HA ALA A 622 11.052 -8.484 -10.947 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.774 -9.093 -8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.871 -9.499 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.708 -10.778 -9.418 1.00 0.00 H new ATOM 702 N PRO A 623 13.374 -8.895 -9.996 1.00 0.00 N ATOM 703 CA PRO A 623 14.637 -9.000 -9.267 1.00 0.00 C ATOM 704 C PRO A 623 14.482 -8.667 -7.776 1.00 0.00 C ATOM 705 O PRO A 623 14.065 -7.564 -7.409 1.00 0.00 O ATOM 706 CB PRO A 623 15.624 -8.068 -9.971 1.00 0.00 C ATOM 707 CG PRO A 623 14.720 -7.116 -10.741 1.00 0.00 C ATOM 708 CD PRO A 623 13.499 -7.947 -11.088 1.00 0.00 C ATOM 0 HA PRO A 623 15.002 -10.027 -9.281 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.253 -7.536 -9.258 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.290 -8.617 -10.637 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.451 -6.249 -10.138 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.212 -6.740 -11.638 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.609 -7.324 -11.175 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.626 -8.458 -12.043 1.00 0.00 H new ATOM 716 N THR A 624 14.867 -9.614 -6.914 1.00 0.00 N ATOM 717 CA THR A 624 14.691 -9.594 -5.470 1.00 0.00 C ATOM 718 C THR A 624 15.379 -8.361 -4.880 1.00 0.00 C ATOM 719 O THR A 624 14.844 -7.714 -3.979 1.00 0.00 O ATOM 720 CB THR A 624 15.253 -10.911 -4.878 1.00 0.00 C ATOM 721 OG1 THR A 624 14.821 -12.021 -5.644 1.00 0.00 O ATOM 722 CG2 THR A 624 14.792 -11.122 -3.439 1.00 0.00 C ATOM 0 H THR A 624 15.337 -10.462 -7.231 1.00 0.00 H new ATOM 0 HA THR A 624 13.633 -9.528 -5.215 1.00 0.00 H new ATOM 0 HB THR A 624 16.340 -10.830 -4.901 1.00 0.00 H new ATOM 0 HG1 THR A 624 14.621 -12.772 -5.047 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.206 -12.055 -3.058 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.137 -10.293 -2.821 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.703 -11.169 -3.409 1.00 0.00 H new ATOM 730 N ASN A 625 16.546 -7.989 -5.420 1.00 0.00 N ATOM 731 CA ASN A 625 17.276 -6.842 -4.909 1.00 0.00 C ATOM 732 C ASN A 625 16.603 -5.516 -5.279 1.00 0.00 C ATOM 733 O ASN A 625 16.705 -4.555 -4.511 1.00 0.00 O ATOM 734 CB ASN A 625 18.740 -6.868 -5.368 1.00 0.00 C ATOM 735 CG ASN A 625 19.491 -8.065 -4.793 1.00 0.00 C ATOM 736 OD1 ASN A 625 19.766 -9.024 -5.505 1.00 0.00 O ATOM 737 ND2 ASN A 625 19.807 -8.050 -3.503 1.00 0.00 N ATOM 0 H ASN A 625 16.994 -8.465 -6.203 1.00 0.00 H new ATOM 0 HA ASN A 625 17.261 -6.914 -3.821 1.00 0.00 H new ATOM 0 HB2 ASN A 625 18.779 -6.903 -6.457 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.234 -5.946 -5.060 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.288 -8.847 -3.086 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.569 -7.241 -2.929 1.00 0.00 H new ATOM 744 N ILE A 626 15.893 -5.448 -6.417 1.00 0.00 N ATOM 745 CA ILE A 626 15.131 -4.254 -6.764 1.00 0.00 C ATOM 746 C ILE A 626 13.892 -4.209 -5.883 1.00 0.00 C ATOM 747 O ILE A 626 13.619 -3.152 -5.338 1.00 0.00 O ATOM 748 CB ILE A 626 14.765 -4.205 -8.258 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.013 -4.307 -9.171 1.00 0.00 C ATOM 750 CG2 ILE A 626 13.932 -2.954 -8.589 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.051 -3.191 -8.998 1.00 0.00 C ATOM 0 H ILE A 626 15.835 -6.202 -7.102 1.00 0.00 H new ATOM 0 HA ILE A 626 15.747 -3.373 -6.585 1.00 0.00 H new ATOM 0 HB ILE A 626 14.150 -5.081 -8.462 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.500 -5.264 -8.985 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.682 -4.314 -10.210 1.00 0.00 H new ATOM 0 HG21 ILE A 626 13.690 -2.949 -9.652 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.011 -2.966 -8.007 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.505 -2.060 -8.343 1.00 0.00 H new ATOM 0 HD11 ILE A 626 17.882 -3.358 -9.683 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.589 -2.228 -9.216 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.420 -3.193 -7.972 1.00 0.00 H new ATOM 763 N LEU A 627 13.194 -5.335 -5.682 1.00 0.00 N ATOM 764 CA LEU A 627 12.068 -5.436 -4.750 1.00 0.00 C ATOM 765 C LEU A 627 12.419 -4.855 -3.384 1.00 0.00 C ATOM 766 O LEU A 627 11.668 -4.046 -2.847 1.00 0.00 O ATOM 767 CB LEU A 627 11.662 -6.907 -4.597 1.00 0.00 C ATOM 768 CG LEU A 627 10.611 -7.320 -5.632 1.00 0.00 C ATOM 769 CD1 LEU A 627 10.896 -8.735 -6.128 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.244 -7.216 -4.974 1.00 0.00 C ATOM 0 H LEU A 627 13.399 -6.208 -6.168 1.00 0.00 H new ATOM 0 HA LEU A 627 11.237 -4.859 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.543 -7.540 -4.702 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.269 -7.073 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 627 10.640 -6.665 -6.503 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.144 -9.021 -6.864 1.00 0.00 H new ATOM 0 HD12 LEU A 627 11.884 -8.767 -6.587 1.00 0.00 H new ATOM 0 HD13 LEU A 627 10.864 -9.429 -5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.473 -7.505 -5.689 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.205 -7.879 -4.110 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.073 -6.189 -4.651 1.00 0.00 H new ATOM 782 N ILE A 628 13.563 -5.261 -2.835 1.00 0.00 N ATOM 783 CA ILE A 628 14.093 -4.767 -1.570 1.00 0.00 C ATOM 784 C ILE A 628 14.310 -3.249 -1.649 1.00 0.00 C ATOM 785 O ILE A 628 13.747 -2.492 -0.847 1.00 0.00 O ATOM 786 CB ILE A 628 15.359 -5.585 -1.232 1.00 0.00 C ATOM 787 CG1 ILE A 628 14.964 -7.009 -0.776 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.197 -4.892 -0.156 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.120 -8.009 -0.866 1.00 0.00 C ATOM 0 H ILE A 628 14.161 -5.962 -3.272 1.00 0.00 H new ATOM 0 HA ILE A 628 13.392 -4.908 -0.748 1.00 0.00 H new ATOM 0 HB ILE A 628 15.968 -5.656 -2.133 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.605 -6.969 0.252 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.135 -7.364 -1.389 1.00 0.00 H new ATOM 0 HG21 ILE A 628 17.081 -5.492 0.060 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.504 -3.909 -0.512 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.604 -4.781 0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 628 15.780 -8.989 -0.532 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.464 -8.076 -1.898 1.00 0.00 H new ATOM 0 HD13 ILE A 628 16.941 -7.675 -0.231 1.00 0.00 H new ATOM 801 N THR A 629 15.113 -2.818 -2.626 1.00 0.00 N ATOM 802 CA THR A 629 15.481 -1.422 -2.831 1.00 0.00 C ATOM 803 C THR A 629 14.215 -0.563 -2.919 1.00 0.00 C ATOM 804 O THR A 629 14.042 0.373 -2.142 1.00 0.00 O ATOM 805 CB THR A 629 16.367 -1.305 -4.086 1.00 0.00 C ATOM 806 OG1 THR A 629 17.484 -2.169 -3.984 1.00 0.00 O ATOM 807 CG2 THR A 629 16.899 0.117 -4.276 1.00 0.00 C ATOM 0 H THR A 629 15.533 -3.448 -3.310 1.00 0.00 H new ATOM 0 HA THR A 629 16.062 -1.052 -1.987 1.00 0.00 H new ATOM 0 HB THR A 629 15.741 -1.576 -4.936 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.321 -2.978 -4.513 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.519 0.157 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.062 0.807 -4.383 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.495 0.401 -3.409 1.00 0.00 H new ATOM 815 N GLU A 630 13.300 -0.929 -3.816 1.00 0.00 N ATOM 816 CA GLU A 630 12.015 -0.287 -4.014 1.00 0.00 C ATOM 817 C GLU A 630 11.214 -0.294 -2.722 1.00 0.00 C ATOM 818 O GLU A 630 10.697 0.746 -2.350 1.00 0.00 O ATOM 819 CB GLU A 630 11.246 -0.996 -5.137 1.00 0.00 C ATOM 820 CG GLU A 630 11.727 -0.550 -6.525 1.00 0.00 C ATOM 821 CD GLU A 630 10.947 0.666 -7.048 1.00 0.00 C ATOM 822 OE1 GLU A 630 10.579 1.557 -6.254 1.00 0.00 O ATOM 823 OE2 GLU A 630 10.588 0.655 -8.250 1.00 0.00 O ATOM 0 H GLU A 630 13.447 -1.716 -4.448 1.00 0.00 H new ATOM 0 HA GLU A 630 12.177 0.751 -4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.370 -2.074 -5.038 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.181 -0.787 -5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 630 12.788 -0.306 -6.478 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.621 -1.377 -7.227 1.00 0.00 H new ATOM 830 N MET A 631 11.126 -1.403 -1.985 1.00 0.00 N ATOM 831 CA MET A 631 10.313 -1.429 -0.774 1.00 0.00 C ATOM 832 C MET A 631 10.825 -0.415 0.255 1.00 0.00 C ATOM 833 O MET A 631 10.005 0.222 0.927 1.00 0.00 O ATOM 834 CB MET A 631 10.322 -2.822 -0.147 1.00 0.00 C ATOM 835 CG MET A 631 9.263 -3.771 -0.713 1.00 0.00 C ATOM 836 SD MET A 631 7.552 -3.318 -0.302 1.00 0.00 S ATOM 837 CE MET A 631 7.385 -4.065 1.329 1.00 0.00 C ATOM 0 H MET A 631 11.600 -2.280 -2.203 1.00 0.00 H new ATOM 0 HA MET A 631 9.295 -1.165 -1.060 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.307 -3.267 -0.291 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.170 -2.725 0.928 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.366 -3.806 -1.798 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.459 -4.777 -0.342 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.751 -3.436 1.954 1.00 0.00 H new ATOM 0 HE2 MET A 631 6.934 -5.053 1.232 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.369 -4.159 1.789 1.00 0.00 H new ATOM 847 N MET A 632 12.151 -0.233 0.386 1.00 0.00 N ATOM 848 CA MET A 632 12.633 0.806 1.300 1.00 0.00 C ATOM 849 C MET A 632 12.400 2.198 0.716 1.00 0.00 C ATOM 850 O MET A 632 12.139 3.136 1.463 1.00 0.00 O ATOM 851 CB MET A 632 14.100 0.658 1.731 1.00 0.00 C ATOM 852 CG MET A 632 14.928 -0.431 1.093 1.00 0.00 C ATOM 853 SD MET A 632 16.621 -0.282 1.699 1.00 0.00 S ATOM 854 CE MET A 632 17.128 -1.919 1.214 1.00 0.00 C ATOM 0 H MET A 632 12.872 -0.763 -0.103 1.00 0.00 H new ATOM 0 HA MET A 632 12.042 0.674 2.206 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.599 1.608 1.543 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.115 0.498 2.809 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.521 -1.412 1.340 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.904 -0.340 0.007 1.00 0.00 H new ATOM 0 HE1 MET A 632 18.072 -2.167 1.700 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.366 -2.639 1.512 1.00 0.00 H new ATOM 0 HE3 MET A 632 17.257 -1.954 0.132 1.00 0.00 H new ATOM 864 N ASP A 633 12.464 2.339 -0.604 1.00 0.00 N ATOM 865 CA ASP A 633 12.386 3.629 -1.274 1.00 0.00 C ATOM 866 C ASP A 633 10.953 4.147 -1.242 1.00 0.00 C ATOM 867 O ASP A 633 10.684 5.303 -0.923 1.00 0.00 O ATOM 868 CB ASP A 633 12.871 3.437 -2.711 1.00 0.00 C ATOM 869 CG ASP A 633 13.223 4.782 -3.345 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.341 5.268 -3.062 1.00 0.00 O ATOM 871 OD2 ASP A 633 12.369 5.312 -4.090 1.00 0.00 O ATOM 0 H ASP A 633 12.573 1.552 -1.244 1.00 0.00 H new ATOM 0 HA ASP A 633 13.011 4.367 -0.770 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.744 2.784 -2.722 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.097 2.943 -3.299 1.00 0.00 H new ATOM 876 N ARG A 634 10.024 3.237 -1.530 1.00 0.00 N ATOM 877 CA ARG A 634 8.600 3.477 -1.618 1.00 0.00 C ATOM 878 C ARG A 634 7.990 3.578 -0.224 1.00 0.00 C ATOM 879 O ARG A 634 7.099 4.401 -0.015 1.00 0.00 O ATOM 880 CB ARG A 634 7.975 2.303 -2.384 1.00 0.00 C ATOM 881 CG ARG A 634 8.475 2.147 -3.833 1.00 0.00 C ATOM 882 CD ARG A 634 7.359 2.247 -4.868 1.00 0.00 C ATOM 883 NE ARG A 634 7.883 1.863 -6.186 1.00 0.00 N ATOM 884 CZ ARG A 634 7.252 1.172 -7.142 1.00 0.00 C ATOM 885 NH1 ARG A 634 5.977 0.802 -7.007 1.00 0.00 N ATOM 886 NH2 ARG A 634 7.919 0.811 -8.228 1.00 0.00 N ATOM 0 H ARG A 634 10.266 2.264 -1.717 1.00 0.00 H new ATOM 0 HA ARG A 634 8.408 4.417 -2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.181 1.381 -1.841 1.00 0.00 H new ATOM 0 HB3 ARG A 634 6.893 2.430 -2.398 1.00 0.00 H new ATOM 0 HG2 ARG A 634 9.221 2.915 -4.038 1.00 0.00 H new ATOM 0 HG3 ARG A 634 8.973 1.183 -3.937 1.00 0.00 H new ATOM 0 HD2 ARG A 634 6.530 1.596 -4.590 1.00 0.00 H new ATOM 0 HD3 ARG A 634 6.968 3.264 -4.901 1.00 0.00 H new ATOM 0 HE ARG A 634 8.837 2.157 -6.396 1.00 0.00 H new ATOM 0 HH11 ARG A 634 5.462 1.046 -6.161 1.00 0.00 H new ATOM 0 HH12 ARG A 634 5.517 0.276 -7.750 1.00 0.00 H new ATOM 0 HH21 ARG A 634 8.903 1.060 -8.329 1.00 0.00 H new ATOM 0 HH22 ARG A 634 7.449 0.284 -8.964 1.00 0.00 H new ATOM 900 N TYR A 635 8.415 2.709 0.708 1.00 0.00 N ATOM 901 CA TYR A 635 7.657 2.433 1.926 1.00 0.00 C ATOM 902 C TYR A 635 8.515 2.344 3.195 1.00 0.00 C ATOM 903 O TYR A 635 7.981 2.043 4.262 1.00 0.00 O ATOM 904 CB TYR A 635 6.846 1.145 1.719 1.00 0.00 C ATOM 905 CG TYR A 635 5.961 1.115 0.479 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.983 2.107 0.271 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.146 0.109 -0.490 1.00 0.00 C ATOM 908 CE1 TYR A 635 4.224 2.122 -0.914 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.380 0.105 -1.670 1.00 0.00 C ATOM 910 CZ TYR A 635 4.431 1.126 -1.896 1.00 0.00 C ATOM 911 OH TYR A 635 3.727 1.141 -3.063 1.00 0.00 O ATOM 0 H TYR A 635 9.287 2.185 0.634 1.00 0.00 H new ATOM 0 HA TYR A 635 6.996 3.283 2.096 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.539 0.305 1.669 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.218 0.988 2.596 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.814 2.861 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 635 6.881 -0.665 -0.326 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.485 2.893 -1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.517 -0.677 -2.402 1.00 0.00 H new ATOM 0 HH TYR A 635 4.000 0.382 -3.620 1.00 0.00 H new ATOM 921 N ASN A 636 9.821 2.624 3.106 1.00 0.00 N ATOM 922 CA ASN A 636 10.784 2.626 4.218 1.00 0.00 C ATOM 923 C ASN A 636 10.883 1.274 4.946 1.00 0.00 C ATOM 924 O ASN A 636 11.249 1.210 6.121 1.00 0.00 O ATOM 925 CB ASN A 636 10.515 3.824 5.146 1.00 0.00 C ATOM 926 CG ASN A 636 11.675 4.081 6.107 1.00 0.00 C ATOM 927 OD1 ASN A 636 12.835 4.101 5.713 1.00 0.00 O ATOM 928 ND2 ASN A 636 11.390 4.313 7.381 1.00 0.00 N ATOM 0 H ASN A 636 10.257 2.867 2.216 1.00 0.00 H new ATOM 0 HA ASN A 636 11.782 2.759 3.800 1.00 0.00 H new ATOM 0 HB2 ASN A 636 10.340 4.716 4.544 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.605 3.641 5.718 1.00 0.00 H new ATOM 0 HD21 ASN A 636 12.140 4.511 8.044 1.00 0.00 H new ATOM 0 HD22 ASN A 636 10.421 4.294 7.698 1.00 0.00 H new ATOM 935 N VAL A 637 10.568 0.172 4.256 1.00 0.00 N ATOM 936 CA VAL A 637 10.718 -1.172 4.797 1.00 0.00 C ATOM 937 C VAL A 637 12.172 -1.570 4.552 1.00 0.00 C ATOM 938 O VAL A 637 12.588 -1.705 3.402 1.00 0.00 O ATOM 939 CB VAL A 637 9.713 -2.131 4.133 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.745 -3.499 4.820 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.271 -1.607 4.217 1.00 0.00 C ATOM 0 H VAL A 637 10.201 0.194 3.304 1.00 0.00 H new ATOM 0 HA VAL A 637 10.500 -1.216 5.864 1.00 0.00 H new ATOM 0 HB VAL A 637 10.009 -2.210 3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 637 9.029 -4.165 4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.746 -3.923 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.483 -3.384 5.872 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.598 -2.316 3.736 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.987 -1.489 5.263 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.204 -0.643 3.712 1.00 0.00 H new ATOM 951 N SER A 638 12.961 -1.703 5.623 1.00 0.00 N ATOM 952 CA SER A 638 14.380 -2.041 5.516 1.00 0.00 C ATOM 953 C SER A 638 14.521 -3.457 4.958 1.00 0.00 C ATOM 954 O SER A 638 13.648 -4.290 5.202 1.00 0.00 O ATOM 955 CB SER A 638 15.079 -1.950 6.886 1.00 0.00 C ATOM 956 OG SER A 638 14.379 -1.152 7.831 1.00 0.00 O ATOM 0 H SER A 638 12.635 -1.580 6.582 1.00 0.00 H new ATOM 0 HA SER A 638 14.857 -1.326 4.845 1.00 0.00 H new ATOM 0 HB2 SER A 638 15.199 -2.955 7.290 1.00 0.00 H new ATOM 0 HB3 SER A 638 16.079 -1.540 6.747 1.00 0.00 H new ATOM 0 HG SER A 638 15.018 -0.742 8.450 1.00 0.00 H new ATOM 962 N GLU A 639 15.650 -3.761 4.309 1.00 0.00 N ATOM 963 CA GLU A 639 15.954 -5.056 3.706 1.00 0.00 C ATOM 964 C GLU A 639 15.635 -6.213 4.654 1.00 0.00 C ATOM 965 O GLU A 639 14.966 -7.157 4.255 1.00 0.00 O ATOM 966 CB GLU A 639 17.428 -5.037 3.271 1.00 0.00 C ATOM 967 CG GLU A 639 17.937 -6.380 2.741 1.00 0.00 C ATOM 968 CD GLU A 639 19.245 -6.214 1.955 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.208 -5.674 2.544 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.255 -6.585 0.758 1.00 0.00 O ATOM 0 H GLU A 639 16.403 -3.084 4.187 1.00 0.00 H new ATOM 0 HA GLU A 639 15.323 -5.222 2.833 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.558 -4.280 2.498 1.00 0.00 H new ATOM 0 HB3 GLU A 639 18.043 -4.736 4.119 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.096 -7.065 3.574 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.180 -6.830 2.099 1.00 0.00 H new ATOM 977 N GLU A 640 15.990 -6.065 5.931 1.00 0.00 N ATOM 978 CA GLU A 640 15.791 -7.025 7.003 1.00 0.00 C ATOM 979 C GLU A 640 14.316 -7.393 7.145 1.00 0.00 C ATOM 980 O GLU A 640 13.980 -8.544 7.421 1.00 0.00 O ATOM 981 CB GLU A 640 16.323 -6.336 8.276 1.00 0.00 C ATOM 982 CG GLU A 640 16.001 -7.004 9.622 1.00 0.00 C ATOM 983 CD GLU A 640 16.273 -6.033 10.777 1.00 0.00 C ATOM 984 OE1 GLU A 640 15.544 -5.011 10.841 1.00 0.00 O ATOM 985 OE2 GLU A 640 17.200 -6.298 11.570 1.00 0.00 O ATOM 0 H GLU A 640 16.452 -5.217 6.258 1.00 0.00 H new ATOM 0 HA GLU A 640 16.314 -7.961 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 640 17.407 -6.256 8.189 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.929 -5.320 8.300 1.00 0.00 H new ATOM 0 HG2 GLU A 640 14.957 -7.317 9.640 1.00 0.00 H new ATOM 0 HG3 GLU A 640 16.606 -7.903 9.743 1.00 0.00 H new ATOM 992 N LYS A 641 13.424 -6.413 6.963 1.00 0.00 N ATOM 993 CA LYS A 641 12.006 -6.646 6.996 1.00 0.00 C ATOM 994 C LYS A 641 11.575 -7.274 5.673 1.00 0.00 C ATOM 995 O LYS A 641 10.826 -8.249 5.684 1.00 0.00 O ATOM 996 CB LYS A 641 11.259 -5.339 7.271 1.00 0.00 C ATOM 997 CG LYS A 641 10.950 -5.105 8.759 1.00 0.00 C ATOM 998 CD LYS A 641 12.181 -4.861 9.643 1.00 0.00 C ATOM 999 CE LYS A 641 13.046 -3.775 9.009 1.00 0.00 C ATOM 1000 NZ LYS A 641 13.945 -3.096 9.960 1.00 0.00 N ATOM 0 H LYS A 641 13.682 -5.441 6.790 1.00 0.00 H new ATOM 0 HA LYS A 641 11.760 -7.335 7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 641 11.854 -4.505 6.897 1.00 0.00 H new ATOM 0 HB3 LYS A 641 10.324 -5.340 6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 641 10.282 -4.248 8.846 1.00 0.00 H new ATOM 0 HG3 LYS A 641 10.410 -5.970 9.144 1.00 0.00 H new ATOM 0 HD2 LYS A 641 11.871 -4.558 10.643 1.00 0.00 H new ATOM 0 HD3 LYS A 641 12.754 -5.782 9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 641 13.644 -4.219 8.213 1.00 0.00 H new ATOM 0 HE3 LYS A 641 12.397 -3.033 8.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 14.386 -2.276 9.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 13.399 -2.775 10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 14.685 -3.757 10.271 1.00 0.00 H new ATOM 1014 N VAL A 642 12.025 -6.720 4.537 1.00 0.00 N ATOM 1015 CA VAL A 642 11.575 -7.146 3.219 1.00 0.00 C ATOM 1016 C VAL A 642 11.933 -8.615 3.007 1.00 0.00 C ATOM 1017 O VAL A 642 11.085 -9.366 2.535 1.00 0.00 O ATOM 1018 CB VAL A 642 12.130 -6.256 2.088 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.426 -6.620 0.775 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.880 -4.761 2.305 1.00 0.00 C ATOM 0 H VAL A 642 12.711 -5.965 4.515 1.00 0.00 H new ATOM 0 HA VAL A 642 10.491 -7.035 3.180 1.00 0.00 H new ATOM 0 HB VAL A 642 13.205 -6.433 2.067 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.812 -5.995 -0.030 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.611 -7.669 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.354 -6.455 0.879 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.297 -4.197 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.807 -4.577 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.357 -4.443 3.232 1.00 0.00 H new ATOM 1030 N GLU A 643 13.129 -9.048 3.421 1.00 0.00 N ATOM 1031 CA GLU A 643 13.571 -10.435 3.341 1.00 0.00 C ATOM 1032 C GLU A 643 12.563 -11.384 3.998 1.00 0.00 C ATOM 1033 O GLU A 643 12.369 -12.511 3.540 1.00 0.00 O ATOM 1034 CB GLU A 643 14.938 -10.601 4.021 1.00 0.00 C ATOM 1035 CG GLU A 643 16.114 -10.070 3.193 1.00 0.00 C ATOM 1036 CD GLU A 643 17.423 -10.248 3.970 1.00 0.00 C ATOM 1037 OE1 GLU A 643 17.628 -9.486 4.943 1.00 0.00 O ATOM 1038 OE2 GLU A 643 18.180 -11.175 3.605 1.00 0.00 O ATOM 0 H GLU A 643 13.828 -8.427 3.829 1.00 0.00 H new ATOM 0 HA GLU A 643 13.652 -10.690 2.284 1.00 0.00 H new ATOM 0 HB2 GLU A 643 14.920 -10.085 4.981 1.00 0.00 H new ATOM 0 HB3 GLU A 643 15.102 -11.658 4.231 1.00 0.00 H new ATOM 0 HG2 GLU A 643 16.170 -10.601 2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 643 15.960 -9.016 2.960 1.00 0.00 H new ATOM 1045 N GLU A 644 11.882 -10.932 5.052 1.00 0.00 N ATOM 1046 CA GLU A 644 10.878 -11.735 5.716 1.00 0.00 C ATOM 1047 C GLU A 644 9.560 -11.745 4.945 1.00 0.00 C ATOM 1048 O GLU A 644 8.900 -12.778 4.870 1.00 0.00 O ATOM 1049 CB GLU A 644 10.750 -11.304 7.177 1.00 0.00 C ATOM 1050 CG GLU A 644 9.370 -10.803 7.625 1.00 0.00 C ATOM 1051 CD GLU A 644 9.216 -10.857 9.145 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.395 -11.982 9.680 1.00 0.00 O ATOM 1053 OE2 GLU A 644 8.871 -9.813 9.738 1.00 0.00 O ATOM 0 H GLU A 644 12.016 -10.007 5.459 1.00 0.00 H new ATOM 0 HA GLU A 644 11.196 -12.778 5.726 1.00 0.00 H new ATOM 0 HB2 GLU A 644 11.027 -12.149 7.807 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.477 -10.514 7.365 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.225 -9.779 7.281 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.593 -11.409 7.159 1.00 0.00 H new ATOM 1060 N LEU A 645 9.177 -10.626 4.332 1.00 0.00 N ATOM 1061 CA LEU A 645 8.015 -10.609 3.449 1.00 0.00 C ATOM 1062 C LEU A 645 8.244 -11.616 2.328 1.00 0.00 C ATOM 1063 O LEU A 645 7.371 -12.427 2.019 1.00 0.00 O ATOM 1064 CB LEU A 645 7.732 -9.193 2.917 1.00 0.00 C ATOM 1065 CG LEU A 645 7.750 -8.094 3.996 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.555 -6.732 3.341 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.707 -8.302 5.097 1.00 0.00 C ATOM 0 H LEU A 645 9.650 -9.728 4.430 1.00 0.00 H new ATOM 0 HA LEU A 645 7.124 -10.899 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.472 -8.949 2.155 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.758 -9.189 2.428 1.00 0.00 H new ATOM 0 HG LEU A 645 8.723 -8.147 4.483 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.568 -5.955 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.360 -6.553 2.628 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.598 -6.712 2.820 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.777 -7.491 5.822 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.710 -8.310 4.657 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.891 -9.253 5.597 1.00 0.00 H new ATOM 1079 N ILE A 646 9.461 -11.608 1.789 1.00 0.00 N ATOM 1080 CA ILE A 646 9.904 -12.535 0.771 1.00 0.00 C ATOM 1081 C ILE A 646 9.788 -13.963 1.311 1.00 0.00 C ATOM 1082 O ILE A 646 9.210 -14.808 0.631 1.00 0.00 O ATOM 1083 CB ILE A 646 11.318 -12.119 0.297 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.210 -10.727 -0.359 1.00 0.00 C ATOM 1085 CG2 ILE A 646 11.907 -13.153 -0.677 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.537 -10.050 -0.716 1.00 0.00 C ATOM 0 H ILE A 646 10.179 -10.936 2.061 1.00 0.00 H new ATOM 0 HA ILE A 646 9.274 -12.508 -0.118 1.00 0.00 H new ATOM 0 HB ILE A 646 11.997 -12.075 1.148 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.616 -10.820 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.660 -10.071 0.315 1.00 0.00 H new ATOM 0 HG21 ILE A 646 12.900 -12.832 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 646 11.979 -14.121 -0.181 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.260 -13.240 -1.550 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.339 -9.079 -1.170 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.131 -9.914 0.188 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.086 -10.675 -1.420 1.00 0.00 H new ATOM 1098 N ARG A 647 10.283 -14.255 2.522 1.00 0.00 N ATOM 1099 CA ARG A 647 10.284 -15.642 3.005 1.00 0.00 C ATOM 1100 C ARG A 647 8.855 -16.115 3.261 1.00 0.00 C ATOM 1101 O ARG A 647 8.513 -17.210 2.834 1.00 0.00 O ATOM 1102 CB ARG A 647 11.233 -15.854 4.215 1.00 0.00 C ATOM 1103 CG ARG A 647 10.589 -15.610 5.593 1.00 0.00 C ATOM 1104 CD ARG A 647 11.547 -15.488 6.784 1.00 0.00 C ATOM 1105 NE ARG A 647 10.863 -14.861 7.938 1.00 0.00 N ATOM 1106 CZ ARG A 647 9.919 -15.396 8.727 1.00 0.00 C ATOM 1107 NH1 ARG A 647 9.602 -16.688 8.625 1.00 0.00 N ATOM 1108 NH2 ARG A 647 9.280 -14.635 9.615 1.00 0.00 N ATOM 0 H ARG A 647 10.677 -13.571 3.168 1.00 0.00 H new ATOM 0 HA ARG A 647 10.697 -16.275 2.219 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.615 -16.874 4.184 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.090 -15.189 4.107 1.00 0.00 H new ATOM 0 HG2 ARG A 647 9.997 -14.696 5.536 1.00 0.00 H new ATOM 0 HG3 ARG A 647 9.896 -16.427 5.795 1.00 0.00 H new ATOM 0 HD2 ARG A 647 11.915 -16.475 7.064 1.00 0.00 H new ATOM 0 HD3 ARG A 647 12.415 -14.892 6.501 1.00 0.00 H new ATOM 0 HE ARG A 647 11.144 -13.906 8.160 1.00 0.00 H new ATOM 0 HH11 ARG A 647 10.079 -17.278 7.943 1.00 0.00 H new ATOM 0 HH12 ARG A 647 8.883 -17.086 9.229 1.00 0.00 H new ATOM 0 HH21 ARG A 647 9.508 -13.644 9.696 1.00 0.00 H new ATOM 0 HH22 ARG A 647 8.563 -15.043 10.214 1.00 0.00 H new ATOM 1122 N ILE A 648 8.012 -15.305 3.909 1.00 0.00 N ATOM 1123 CA ILE A 648 6.656 -15.690 4.293 1.00 0.00 C ATOM 1124 C ILE A 648 5.879 -16.057 3.038 1.00 0.00 C ATOM 1125 O ILE A 648 5.339 -17.159 2.943 1.00 0.00 O ATOM 1126 CB ILE A 648 5.995 -14.544 5.083 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.673 -14.447 6.472 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.481 -14.718 5.269 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.403 -13.126 7.186 1.00 0.00 C ATOM 0 H ILE A 648 8.257 -14.354 4.183 1.00 0.00 H new ATOM 0 HA ILE A 648 6.669 -16.562 4.948 1.00 0.00 H new ATOM 0 HB ILE A 648 6.132 -13.632 4.503 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.323 -15.268 7.097 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.749 -14.574 6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.084 -13.874 5.834 1.00 0.00 H new ATOM 0 HG22 ILE A 648 3.997 -14.761 4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.285 -15.642 5.812 1.00 0.00 H new ATOM 0 HD11 ILE A 648 6.907 -13.125 8.152 1.00 0.00 H new ATOM 0 HD12 ILE A 648 6.779 -12.301 6.580 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.330 -13.006 7.336 1.00 0.00 H new ATOM 1141 N LEU A 649 5.825 -15.152 2.056 1.00 0.00 N ATOM 1142 CA LEU A 649 5.048 -15.438 0.867 1.00 0.00 C ATOM 1143 C LEU A 649 5.639 -16.609 0.056 1.00 0.00 C ATOM 1144 O LEU A 649 4.903 -17.288 -0.662 1.00 0.00 O ATOM 1145 CB LEU A 649 4.842 -14.169 0.026 1.00 0.00 C ATOM 1146 CG LEU A 649 3.804 -13.213 0.633 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.390 -12.235 1.651 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.129 -12.407 -0.483 1.00 0.00 C ATOM 0 H LEU A 649 6.296 -14.247 2.065 1.00 0.00 H new ATOM 0 HA LEU A 649 4.060 -15.770 1.185 1.00 0.00 H new ATOM 0 HB2 LEU A 649 5.794 -13.647 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.525 -14.452 -0.978 1.00 0.00 H new ATOM 0 HG LEU A 649 3.088 -13.842 1.162 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.598 -11.593 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 649 4.838 -12.792 2.474 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.152 -11.622 1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.393 -11.730 -0.049 1.00 0.00 H new ATOM 0 HD22 LEU A 649 3.881 -11.829 -1.021 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.632 -13.088 -1.174 1.00 0.00 H new ATOM 1160 N LYS A 650 6.946 -16.873 0.189 1.00 0.00 N ATOM 1161 CA LYS A 650 7.615 -18.015 -0.456 1.00 0.00 C ATOM 1162 C LYS A 650 7.188 -19.314 0.212 1.00 0.00 C ATOM 1163 O LYS A 650 6.877 -20.301 -0.446 1.00 0.00 O ATOM 1164 CB LYS A 650 9.156 -17.891 -0.452 1.00 0.00 C ATOM 1165 CG LYS A 650 9.683 -16.971 -1.565 1.00 0.00 C ATOM 1166 CD LYS A 650 11.157 -16.573 -1.438 1.00 0.00 C ATOM 1167 CE LYS A 650 12.129 -17.746 -1.559 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.538 -17.312 -1.401 1.00 0.00 N ATOM 0 H LYS A 650 7.574 -16.298 0.750 1.00 0.00 H new ATOM 0 HA LYS A 650 7.304 -18.018 -1.501 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.482 -17.508 0.515 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.596 -18.882 -0.567 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.539 -17.468 -2.524 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.078 -16.064 -1.582 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.392 -15.838 -2.208 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.310 -16.085 -0.475 1.00 0.00 H new ATOM 0 HE2 LYS A 650 11.892 -18.494 -0.802 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.003 -18.224 -2.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.173 -18.084 -1.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.714 -16.479 -1.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.717 -17.068 -0.406 1.00 0.00 H new ATOM 1182 N ASP A 651 7.143 -19.272 1.534 1.00 0.00 N ATOM 1183 CA ASP A 651 6.848 -20.378 2.444 1.00 0.00 C ATOM 1184 C ASP A 651 5.406 -20.833 2.267 1.00 0.00 C ATOM 1185 O ASP A 651 5.102 -22.023 2.239 1.00 0.00 O ATOM 1186 CB ASP A 651 7.075 -19.893 3.878 1.00 0.00 C ATOM 1187 CG ASP A 651 6.976 -21.025 4.897 1.00 0.00 C ATOM 1188 OD1 ASP A 651 7.883 -21.885 4.879 1.00 0.00 O ATOM 1189 OD2 ASP A 651 6.018 -20.984 5.701 1.00 0.00 O ATOM 0 H ASP A 651 7.324 -18.405 2.039 1.00 0.00 H new ATOM 0 HA ASP A 651 7.500 -21.224 2.227 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.058 -19.428 3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.340 -19.125 4.120 1.00 0.00 H new ATOM 1194 N LYS A 652 4.524 -19.855 2.050 1.00 0.00 N ATOM 1195 CA LYS A 652 3.123 -20.066 1.707 1.00 0.00 C ATOM 1196 C LYS A 652 2.944 -20.662 0.313 1.00 0.00 C ATOM 1197 O LYS A 652 1.827 -21.049 -0.023 1.00 0.00 O ATOM 1198 CB LYS A 652 2.416 -18.709 1.773 1.00 0.00 C ATOM 1199 CG LYS A 652 2.186 -18.274 3.225 1.00 0.00 C ATOM 1200 CD LYS A 652 2.200 -16.746 3.355 1.00 0.00 C ATOM 1201 CE LYS A 652 0.979 -16.179 4.090 1.00 0.00 C ATOM 1202 NZ LYS A 652 -0.278 -16.411 3.344 1.00 0.00 N ATOM 0 H LYS A 652 4.775 -18.868 2.111 1.00 0.00 H new ATOM 0 HA LYS A 652 2.698 -20.779 2.413 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.014 -17.959 1.256 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.460 -18.768 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.230 -18.663 3.577 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.959 -18.703 3.863 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.104 -16.443 3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.250 -16.306 2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 652 0.905 -16.638 5.076 1.00 0.00 H new ATOM 0 HE3 LYS A 652 1.115 -15.109 4.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 -1.049 -15.870 3.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 -0.159 -16.102 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 -0.511 -17.424 3.363 1.00 0.00 H new ATOM 1216 N GLY A 653 3.992 -20.671 -0.519 1.00 0.00 N ATOM 1217 CA GLY A 653 3.861 -20.967 -1.936 1.00 0.00 C ATOM 1218 C GLY A 653 2.975 -19.939 -2.642 1.00 0.00 C ATOM 1219 O GLY A 653 2.354 -20.274 -3.647 1.00 0.00 O ATOM 0 H GLY A 653 4.948 -20.473 -0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.848 -20.979 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.437 -21.963 -2.063 1.00 0.00 H new ATOM 1223 N ALA A 654 2.884 -18.706 -2.119 1.00 0.00 N ATOM 1224 CA ALA A 654 2.247 -17.606 -2.826 1.00 0.00 C ATOM 1225 C ALA A 654 3.210 -17.049 -3.877 1.00 0.00 C ATOM 1226 O ALA A 654 2.787 -16.676 -4.972 1.00 0.00 O ATOM 1227 CB ALA A 654 1.834 -16.525 -1.822 1.00 0.00 C ATOM 0 H ALA A 654 3.250 -18.454 -1.201 1.00 0.00 H new ATOM 0 HA ALA A 654 1.351 -17.958 -3.337 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.357 -15.700 -2.351 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.134 -16.947 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.717 -16.158 -1.299 1.00 0.00 H new ATOM 1233 N ILE A 655 4.510 -17.015 -3.559 1.00 0.00 N ATOM 1234 CA ILE A 655 5.552 -16.595 -4.485 1.00 0.00 C ATOM 1235 C ILE A 655 6.681 -17.618 -4.454 1.00 0.00 C ATOM 1236 O ILE A 655 6.640 -18.596 -3.706 1.00 0.00 O ATOM 1237 CB ILE A 655 6.032 -15.159 -4.180 1.00 0.00 C ATOM 1238 CG1 ILE A 655 6.747 -15.098 -2.825 1.00 0.00 C ATOM 1239 CG2 ILE A 655 4.845 -14.191 -4.230 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.455 -13.777 -2.540 1.00 0.00 C ATOM 0 H ILE A 655 4.865 -17.282 -2.641 1.00 0.00 H new ATOM 0 HA ILE A 655 5.153 -16.559 -5.499 1.00 0.00 H new ATOM 0 HB ILE A 655 6.752 -14.858 -4.941 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.018 -15.282 -2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.478 -15.905 -2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.191 -13.180 -4.014 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.396 -14.217 -5.223 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.103 -14.487 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 655 7.933 -13.824 -1.561 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.211 -13.597 -3.304 1.00 0.00 H new ATOM 0 HD13 ILE A 655 6.728 -12.965 -2.550 1.00 0.00 H new ATOM 1252 N PHE A 656 7.690 -17.381 -5.280 1.00 0.00 N ATOM 1253 CA PHE A 656 8.850 -18.223 -5.421 1.00 0.00 C ATOM 1254 C PHE A 656 10.030 -17.379 -5.877 1.00 0.00 C ATOM 1255 O PHE A 656 9.866 -16.208 -6.220 1.00 0.00 O ATOM 1256 CB PHE A 656 8.534 -19.330 -6.431 1.00 0.00 C ATOM 1257 CG PHE A 656 9.166 -20.639 -6.029 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.622 -21.364 -4.951 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.329 -21.092 -6.675 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.239 -22.555 -4.529 1.00 0.00 C ATOM 1261 CE2 PHE A 656 10.947 -22.280 -6.249 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.400 -23.013 -5.179 1.00 0.00 C ATOM 0 H PHE A 656 7.716 -16.564 -5.890 1.00 0.00 H new ATOM 0 HA PHE A 656 9.111 -18.684 -4.468 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.454 -19.455 -6.510 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.894 -19.038 -7.417 1.00 0.00 H new ATOM 0 HD1 PHE A 656 7.734 -21.007 -4.450 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.747 -20.529 -7.496 1.00 0.00 H new ATOM 0 HE1 PHE A 656 8.822 -23.118 -3.707 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.841 -22.631 -6.742 1.00 0.00 H new ATOM 0 HZ PHE A 656 10.872 -23.929 -4.856 1.00 0.00 H new ATOM 1272 N GLU A 657 11.207 -18.001 -5.918 1.00 0.00 N ATOM 1273 CA GLU A 657 12.453 -17.400 -6.362 1.00 0.00 C ATOM 1274 C GLU A 657 13.053 -18.333 -7.425 1.00 0.00 C ATOM 1275 O GLU A 657 13.880 -19.180 -7.090 1.00 0.00 O ATOM 1276 CB GLU A 657 13.325 -17.130 -5.124 1.00 0.00 C ATOM 1277 CG GLU A 657 14.592 -16.302 -5.410 1.00 0.00 C ATOM 1278 CD GLU A 657 14.923 -15.303 -4.293 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.728 -15.678 -3.110 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.326 -14.161 -4.632 1.00 0.00 O ATOM 0 H GLU A 657 11.318 -18.974 -5.631 1.00 0.00 H new ATOM 0 HA GLU A 657 12.338 -16.429 -6.843 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.725 -16.609 -4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.619 -18.084 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.437 -16.977 -5.548 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.461 -15.760 -6.347 1.00 0.00 H new ATOM 1287 N PRO A 658 12.591 -18.257 -8.694 1.00 0.00 N ATOM 1288 CA PRO A 658 13.001 -19.159 -9.773 1.00 0.00 C ATOM 1289 C PRO A 658 14.497 -19.117 -10.089 1.00 0.00 C ATOM 1290 O PRO A 658 15.021 -20.066 -10.670 1.00 0.00 O ATOM 1291 CB PRO A 658 12.185 -18.751 -11.002 1.00 0.00 C ATOM 1292 CG PRO A 658 11.714 -17.339 -10.689 1.00 0.00 C ATOM 1293 CD PRO A 658 11.511 -17.413 -9.180 1.00 0.00 C ATOM 0 HA PRO A 658 12.814 -20.188 -9.464 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.791 -18.777 -11.908 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.343 -19.425 -11.162 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.454 -16.589 -10.967 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.793 -17.088 -11.215 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.551 -16.422 -8.728 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.538 -17.837 -8.933 1.00 0.00 H new ATOM 1301 N ALA A 659 15.183 -18.032 -9.722 1.00 0.00 N ATOM 1302 CA ALA A 659 16.634 -17.933 -9.787 1.00 0.00 C ATOM 1303 C ALA A 659 17.159 -17.107 -8.618 1.00 0.00 C ATOM 1304 O ALA A 659 16.399 -16.403 -7.960 1.00 0.00 O ATOM 1305 CB ALA A 659 17.058 -17.305 -11.117 1.00 0.00 C ATOM 0 H ALA A 659 14.735 -17.188 -9.367 1.00 0.00 H new ATOM 0 HA ALA A 659 17.059 -18.935 -9.722 1.00 0.00 H new ATOM 0 HB1 ALA A 659 18.145 -17.235 -11.156 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.704 -17.925 -11.941 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.627 -16.307 -11.202 1.00 0.00 H new ATOM 1311 N ARG A 660 18.484 -17.150 -8.432 1.00 0.00 N ATOM 1312 CA ARG A 660 19.311 -16.647 -7.326 1.00 0.00 C ATOM 1313 C ARG A 660 19.204 -15.150 -6.959 1.00 0.00 C ATOM 1314 O ARG A 660 20.121 -14.609 -6.334 1.00 0.00 O ATOM 1315 CB ARG A 660 20.769 -16.994 -7.663 1.00 0.00 C ATOM 1316 CG ARG A 660 21.323 -16.119 -8.808 1.00 0.00 C ATOM 1317 CD ARG A 660 22.809 -15.795 -8.590 1.00 0.00 C ATOM 1318 NE ARG A 660 23.185 -14.492 -9.164 1.00 0.00 N ATOM 1319 CZ ARG A 660 22.927 -13.283 -8.633 1.00 0.00 C ATOM 1320 NH1 ARG A 660 22.151 -13.125 -7.555 1.00 0.00 N ATOM 1321 NH2 ARG A 660 23.460 -12.201 -9.202 1.00 0.00 N ATOM 0 H ARG A 660 19.073 -17.591 -9.138 1.00 0.00 H new ATOM 0 HA ARG A 660 18.925 -17.135 -6.431 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.387 -16.863 -6.775 1.00 0.00 H new ATOM 0 HB3 ARG A 660 20.835 -18.045 -7.945 1.00 0.00 H new ATOM 0 HG2 ARG A 660 21.197 -16.637 -9.759 1.00 0.00 H new ATOM 0 HG3 ARG A 660 20.751 -15.193 -8.871 1.00 0.00 H new ATOM 0 HD2 ARG A 660 23.026 -15.796 -7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 660 23.419 -16.578 -9.040 1.00 0.00 H new ATOM 0 HE ARG A 660 23.690 -14.508 -10.050 1.00 0.00 H new ATOM 0 HH11 ARG A 660 21.731 -13.938 -7.105 1.00 0.00 H new ATOM 0 HH12 ARG A 660 21.979 -12.191 -7.183 1.00 0.00 H new ATOM 0 HH21 ARG A 660 24.053 -12.298 -10.026 1.00 0.00 H new ATOM 0 HH22 ARG A 660 23.275 -11.277 -8.813 1.00 0.00 H new ATOM 1335 N GLY A 661 18.186 -14.455 -7.445 1.00 0.00 N ATOM 1336 CA GLY A 661 17.872 -13.072 -7.129 1.00 0.00 C ATOM 1337 C GLY A 661 16.687 -12.554 -7.937 1.00 0.00 C ATOM 1338 O GLY A 661 16.666 -11.368 -8.260 1.00 0.00 O ATOM 0 H GLY A 661 17.523 -14.863 -8.104 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.651 -12.985 -6.065 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.744 -12.449 -7.325 1.00 0.00 H new ATOM 1342 N TYR A 662 15.738 -13.427 -8.301 1.00 0.00 N ATOM 1343 CA TYR A 662 14.633 -13.140 -9.206 1.00 0.00 C ATOM 1344 C TYR A 662 13.396 -13.866 -8.682 1.00 0.00 C ATOM 1345 O TYR A 662 13.437 -15.092 -8.577 1.00 0.00 O ATOM 1346 CB TYR A 662 15.025 -13.626 -10.611 1.00 0.00 C ATOM 1347 CG TYR A 662 16.049 -12.749 -11.311 1.00 0.00 C ATOM 1348 CD1 TYR A 662 15.656 -11.515 -11.865 1.00 0.00 C ATOM 1349 CD2 TYR A 662 17.396 -13.154 -11.403 1.00 0.00 C ATOM 1350 CE1 TYR A 662 16.592 -10.692 -12.511 1.00 0.00 C ATOM 1351 CE2 TYR A 662 18.343 -12.334 -12.046 1.00 0.00 C ATOM 1352 CZ TYR A 662 17.941 -11.096 -12.603 1.00 0.00 C ATOM 1353 OH TYR A 662 18.841 -10.284 -13.228 1.00 0.00 O ATOM 0 H TYR A 662 15.725 -14.387 -7.956 1.00 0.00 H new ATOM 0 HA TYR A 662 14.414 -12.074 -9.261 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.422 -14.638 -10.535 1.00 0.00 H new ATOM 0 HB3 TYR A 662 14.128 -13.680 -11.228 1.00 0.00 H new ATOM 0 HD1 TYR A 662 14.626 -11.199 -11.792 1.00 0.00 H new ATOM 0 HD2 TYR A 662 17.703 -14.098 -10.978 1.00 0.00 H new ATOM 0 HE1 TYR A 662 16.280 -9.750 -12.937 1.00 0.00 H new ATOM 0 HE2 TYR A 662 19.374 -12.649 -12.114 1.00 0.00 H new ATOM 0 HH TYR A 662 19.727 -10.702 -13.208 1.00 0.00 H new ATOM 1363 N LEU A 663 12.335 -13.130 -8.318 1.00 0.00 N ATOM 1364 CA LEU A 663 11.085 -13.659 -7.770 1.00 0.00 C ATOM 1365 C LEU A 663 10.036 -13.900 -8.859 1.00 0.00 C ATOM 1366 O LEU A 663 10.106 -13.363 -9.963 1.00 0.00 O ATOM 1367 CB LEU A 663 10.503 -12.727 -6.681 1.00 0.00 C ATOM 1368 CG LEU A 663 11.384 -12.516 -5.432 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.568 -11.909 -4.284 1.00 0.00 C ATOM 1370 CD2 LEU A 663 12.001 -13.811 -4.895 1.00 0.00 C ATOM 0 H LEU A 663 12.328 -12.113 -8.402 1.00 0.00 H new ATOM 0 HA LEU A 663 11.332 -14.619 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.305 -11.754 -7.131 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.543 -13.131 -6.360 1.00 0.00 H new ATOM 0 HG LEU A 663 12.181 -11.849 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.211 -11.770 -3.415 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.164 -10.946 -4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.749 -12.580 -4.026 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.607 -13.588 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 663 11.207 -14.506 -4.621 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.628 -14.262 -5.664 1.00 0.00 H new ATOM 1382 N LYS A 664 9.025 -14.699 -8.513 1.00 0.00 N ATOM 1383 CA LYS A 664 7.858 -15.002 -9.332 1.00 0.00 C ATOM 1384 C LYS A 664 6.667 -15.196 -8.409 1.00 0.00 C ATOM 1385 O LYS A 664 6.831 -15.762 -7.329 1.00 0.00 O ATOM 1386 CB LYS A 664 8.179 -16.255 -10.173 1.00 0.00 C ATOM 1387 CG LYS A 664 6.954 -16.903 -10.822 1.00 0.00 C ATOM 1388 CD LYS A 664 7.235 -18.240 -11.520 1.00 0.00 C ATOM 1389 CE LYS A 664 5.964 -18.739 -12.240 1.00 0.00 C ATOM 1390 NZ LYS A 664 4.829 -18.941 -11.306 1.00 0.00 N ATOM 0 H LYS A 664 9.000 -15.173 -7.610 1.00 0.00 H new ATOM 0 HA LYS A 664 7.610 -14.194 -10.021 1.00 0.00 H new ATOM 0 HB2 LYS A 664 8.889 -15.983 -10.954 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.671 -16.990 -9.536 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.194 -17.060 -10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.535 -16.209 -11.550 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.046 -18.121 -12.238 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.562 -18.979 -10.789 1.00 0.00 H new ATOM 0 HE2 LYS A 664 5.677 -18.019 -13.006 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.183 -19.677 -12.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.099 -19.521 -11.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.166 -19.425 -10.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 4.425 -18.019 -11.046 1.00 0.00 H new ATOM 1404 N ILE A 665 5.476 -14.779 -8.840 1.00 0.00 N ATOM 1405 CA ILE A 665 4.230 -15.157 -8.188 1.00 0.00 C ATOM 1406 C ILE A 665 3.870 -16.561 -8.677 1.00 0.00 C ATOM 1407 O ILE A 665 3.916 -16.805 -9.885 1.00 0.00 O ATOM 1408 CB ILE A 665 3.099 -14.141 -8.467 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.541 -12.720 -8.050 1.00 0.00 C ATOM 1410 CG2 ILE A 665 1.825 -14.584 -7.721 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.501 -11.621 -8.285 1.00 0.00 C ATOM 0 H ILE A 665 5.352 -14.171 -9.650 1.00 0.00 H new ATOM 0 HA ILE A 665 4.357 -15.156 -7.105 1.00 0.00 H new ATOM 0 HB ILE A 665 2.881 -14.112 -9.535 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.800 -12.733 -6.991 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.448 -12.463 -8.597 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.024 -13.871 -7.914 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.524 -15.572 -8.070 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.025 -14.623 -6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 665 2.905 -10.662 -7.961 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.257 -11.572 -9.346 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.599 -11.846 -7.715 1.00 0.00 H new ATOM 1423 N VAL A 666 3.566 -17.493 -7.762 1.00 0.00 N ATOM 1424 CA VAL A 666 3.306 -18.891 -8.122 1.00 0.00 C ATOM 1425 C VAL A 666 2.167 -18.988 -9.142 1.00 0.00 C ATOM 1426 O VAL A 666 2.461 -19.542 -10.230 1.00 0.00 O ATOM 1427 CB VAL A 666 3.098 -19.755 -6.860 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.569 -21.166 -7.161 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.452 -19.911 -6.149 1.00 0.00 C ATOM 1430 OXT VAL A 666 1.061 -18.499 -8.833 1.00 0.00 O ATOM 0 H VAL A 666 3.494 -17.300 -6.763 1.00 0.00 H new ATOM 0 HA VAL A 666 4.184 -19.304 -8.619 1.00 0.00 H new ATOM 0 HB VAL A 666 2.353 -19.245 -6.249 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.447 -21.716 -6.228 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.607 -21.093 -7.668 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.277 -21.691 -7.802 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.325 -20.519 -5.254 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.161 -20.396 -6.820 1.00 0.00 H new ATOM 0 HG23 VAL A 666 4.831 -18.928 -5.869 1.00 0.00 H new