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 Single : A 603 LYS NZ :NH3+ 179:sc= 0.169 (180deg=0.135) USER MOD Single : A 612 LYS NZ :NH3+ -157:sc= 0.746 (180deg=-0.941) USER MOD Single : A 614 TYR OH : rot 30:sc= 0 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot 177:sc= 0.877 USER MOD Single : A 625 ASN : amide:sc= 0.431 X(o=0.43,f=0) USER MOD Single : A 629 THR OG1 : rot 104:sc= 1.23 USER MOD Single : A 631 MET CE :methyl -120:sc= 0 (180deg=-0.09) USER MOD Single : A 632 MET CE :methyl 170:sc= 0 (180deg=-0.162) 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=-0.11) USER MOD Single : A 638 SER OG : rot 180:sc= 0.0152 USER MOD Single : A 641 LYS NZ :NH3+ 174:sc= 1.25 (180deg=1.16) USER MOD Single : A 650 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.2) USER MOD Single : A 652 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0139) USER MOD Single : A 662 TYR OH : rot -17:sc= 1.02 USER MOD Single : A 664 LYS NZ :NH3+ -170:sc= 1.93 (180deg=1.26) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -3.997 -1.882 1.826 1.00 0.00 N ATOM 325 CA ARG A 601 -2.674 -2.375 1.487 1.00 0.00 C ATOM 326 C ARG A 601 -2.084 -3.031 2.732 1.00 0.00 C ATOM 327 O ARG A 601 -2.333 -2.548 3.843 1.00 0.00 O ATOM 328 CB ARG A 601 -1.791 -1.240 0.933 1.00 0.00 C ATOM 329 CG ARG A 601 -1.490 -0.123 1.947 1.00 0.00 C ATOM 330 CD ARG A 601 -0.196 -0.387 2.734 1.00 0.00 C ATOM 331 NE ARG A 601 -0.017 0.589 3.820 1.00 0.00 N ATOM 332 CZ ARG A 601 -0.631 0.568 5.015 1.00 0.00 C ATOM 333 NH1 ARG A 601 -1.491 -0.399 5.348 1.00 0.00 N ATOM 334 NH2 ARG A 601 -0.380 1.539 5.896 1.00 0.00 N ATOM 0 HA ARG A 601 -2.730 -3.119 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -0.849 -1.664 0.586 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.283 -0.803 0.064 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.407 0.829 1.422 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.324 -0.032 2.643 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.221 -1.395 3.149 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.658 -0.342 2.058 1.00 0.00 H new ATOM 0 HE ARG A 601 0.635 1.354 3.650 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -1.697 -1.148 4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -1.942 -0.388 6.263 1.00 0.00 H new ATOM 0 HH21 ARG A 601 0.272 2.287 5.659 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -0.840 1.533 6.806 1.00 0.00 H new ATOM 348 N ASP A 602 -1.190 -4.004 2.551 1.00 0.00 N ATOM 349 CA ASP A 602 -0.396 -4.602 3.619 1.00 0.00 C ATOM 350 C ASP A 602 1.028 -4.810 3.103 1.00 0.00 C ATOM 351 O ASP A 602 1.226 -4.920 1.901 1.00 0.00 O ATOM 352 CB ASP A 602 -1.029 -5.929 4.076 1.00 0.00 C ATOM 353 CG ASP A 602 -0.212 -6.567 5.199 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.795 -7.248 4.892 1.00 0.00 O ATOM 355 OD2 ASP A 602 -0.459 -6.281 6.389 1.00 0.00 O ATOM 0 H ASP A 602 -0.995 -4.406 1.634 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.369 -3.942 4.486 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -2.048 -5.751 4.419 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -1.092 -6.616 3.232 1.00 0.00 H new ATOM 360 N LYS A 603 2.016 -4.915 3.994 1.00 0.00 N ATOM 361 CA LYS A 603 3.407 -5.279 3.706 1.00 0.00 C ATOM 362 C LYS A 603 3.516 -6.451 2.719 1.00 0.00 C ATOM 363 O LYS A 603 4.265 -6.371 1.744 1.00 0.00 O ATOM 364 CB LYS A 603 4.104 -5.696 5.019 1.00 0.00 C ATOM 365 CG LYS A 603 3.995 -4.742 6.221 1.00 0.00 C ATOM 366 CD LYS A 603 3.873 -5.499 7.560 1.00 0.00 C ATOM 367 CE LYS A 603 2.426 -5.867 7.936 1.00 0.00 C ATOM 368 NZ LYS A 603 1.902 -7.102 7.309 1.00 0.00 N ATOM 0 H LYS A 603 1.861 -4.740 4.987 1.00 0.00 H new ATOM 0 HA LYS A 603 3.881 -4.406 3.256 1.00 0.00 H new ATOM 0 HB2 LYS A 603 3.701 -6.663 5.320 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.162 -5.845 4.804 1.00 0.00 H new ATOM 0 HG2 LYS A 603 4.872 -4.096 6.250 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.127 -4.095 6.091 1.00 0.00 H new ATOM 0 HD2 LYS A 603 4.468 -6.411 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 603 4.300 -4.886 8.354 1.00 0.00 H new ATOM 0 HE2 LYS A 603 2.366 -5.976 9.019 1.00 0.00 H new ATOM 0 HE3 LYS A 603 1.775 -5.037 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 0.930 -7.272 7.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 1.905 -6.994 6.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 2.503 -7.908 7.574 1.00 0.00 H new ATOM 382 N PHE A 604 2.775 -7.533 2.986 1.00 0.00 N ATOM 383 CA PHE A 604 2.753 -8.758 2.194 1.00 0.00 C ATOM 384 C PHE A 604 2.326 -8.437 0.763 1.00 0.00 C ATOM 385 O PHE A 604 2.976 -8.843 -0.200 1.00 0.00 O ATOM 386 CB PHE A 604 1.775 -9.749 2.859 1.00 0.00 C ATOM 387 CG PHE A 604 2.084 -10.125 4.305 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.410 -10.330 4.740 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.032 -10.245 5.235 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.677 -10.604 6.092 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.299 -10.541 6.584 1.00 0.00 C ATOM 392 CZ PHE A 604 2.624 -10.716 7.015 1.00 0.00 C ATOM 0 H PHE A 604 2.152 -7.576 3.792 1.00 0.00 H new ATOM 0 HA PHE A 604 3.745 -9.208 2.153 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.773 -9.320 2.822 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.753 -10.662 2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.223 -10.276 4.031 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.011 -10.108 4.909 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.697 -10.729 6.423 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.485 -10.634 7.288 1.00 0.00 H new ATOM 0 HZ PHE A 604 2.833 -10.936 8.052 1.00 0.00 H new ATOM 402 N ARG A 605 1.254 -7.650 0.648 1.00 0.00 N ATOM 403 CA ARG A 605 0.762 -7.056 -0.574 1.00 0.00 C ATOM 404 C ARG A 605 1.849 -6.214 -1.221 1.00 0.00 C ATOM 405 O ARG A 605 2.174 -6.491 -2.359 1.00 0.00 O ATOM 406 CB ARG A 605 -0.460 -6.205 -0.236 1.00 0.00 C ATOM 407 CG ARG A 605 -1.724 -6.618 -0.983 1.00 0.00 C ATOM 408 CD ARG A 605 -2.788 -5.745 -0.332 1.00 0.00 C ATOM 409 NE ARG A 605 -4.115 -5.779 -0.939 1.00 0.00 N ATOM 410 CZ ARG A 605 -4.575 -4.794 -1.715 1.00 0.00 C ATOM 411 NH1 ARG A 605 -3.884 -4.264 -2.726 1.00 0.00 N ATOM 412 NH2 ARG A 605 -5.776 -4.330 -1.406 1.00 0.00 N ATOM 0 H ARG A 605 0.682 -7.403 1.456 1.00 0.00 H new ATOM 0 HA ARG A 605 0.479 -7.832 -1.285 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.647 -6.264 0.836 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.239 -5.162 -0.464 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -1.643 -6.430 -2.054 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.939 -7.680 -0.861 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -2.882 -6.043 0.712 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.435 -4.714 -0.339 1.00 0.00 H new ATOM 0 HE ARG A 605 -4.714 -6.586 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.949 -4.610 -2.942 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -4.291 -3.512 -3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -6.288 -4.725 -0.617 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -6.189 -3.577 -1.957 1.00 0.00 H new ATOM 426 N LEU A 606 2.423 -5.220 -0.533 1.00 0.00 N ATOM 427 CA LEU A 606 3.351 -4.262 -1.108 1.00 0.00 C ATOM 428 C LEU A 606 4.467 -5.031 -1.798 1.00 0.00 C ATOM 429 O LEU A 606 4.762 -4.752 -2.959 1.00 0.00 O ATOM 430 CB LEU A 606 3.888 -3.290 -0.046 1.00 0.00 C ATOM 431 CG LEU A 606 2.856 -2.298 0.531 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.528 -1.485 1.644 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.298 -1.347 -0.536 1.00 0.00 C ATOM 0 H LEU A 606 2.246 -5.063 0.459 1.00 0.00 H new ATOM 0 HA LEU A 606 2.835 -3.644 -1.843 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.305 -3.872 0.776 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.709 -2.720 -0.482 1.00 0.00 H new ATOM 0 HG LEU A 606 2.015 -2.872 0.920 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.811 -0.779 2.062 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.874 -2.158 2.428 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.378 -0.939 1.234 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.577 -0.670 -0.079 1.00 0.00 H new ATOM 0 HD22 LEU A 606 3.114 -0.769 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.807 -1.926 -1.318 1.00 0.00 H new ATOM 445 N LEU A 607 4.995 -6.066 -1.130 1.00 0.00 N ATOM 446 CA LEU A 607 5.952 -6.940 -1.772 1.00 0.00 C ATOM 447 C LEU A 607 5.346 -7.638 -3.006 1.00 0.00 C ATOM 448 O LEU A 607 5.873 -7.507 -4.107 1.00 0.00 O ATOM 449 CB LEU A 607 6.582 -7.921 -0.764 1.00 0.00 C ATOM 450 CG LEU A 607 7.721 -8.733 -1.421 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.082 -8.209 -0.977 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.600 -10.222 -1.076 1.00 0.00 C ATOM 0 H LEU A 607 4.773 -6.305 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 607 6.770 -6.326 -2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.971 -7.369 0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.818 -8.600 -0.385 1.00 0.00 H new ATOM 0 HG LEU A 607 7.633 -8.616 -2.501 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.870 -8.795 -1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.182 -7.163 -1.268 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.169 -8.294 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.413 -10.772 -1.550 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.656 -10.351 0.005 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.645 -10.603 -1.437 1.00 0.00 H new ATOM 464 N LEU A 608 4.246 -8.380 -2.847 1.00 0.00 N ATOM 465 CA LEU A 608 3.615 -9.183 -3.896 1.00 0.00 C ATOM 466 C LEU A 608 3.127 -8.375 -5.115 1.00 0.00 C ATOM 467 O LEU A 608 3.028 -8.926 -6.213 1.00 0.00 O ATOM 468 CB LEU A 608 2.447 -9.927 -3.223 1.00 0.00 C ATOM 469 CG LEU A 608 1.635 -10.860 -4.129 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.480 -11.997 -4.711 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.443 -11.440 -3.362 1.00 0.00 C ATOM 0 H LEU A 608 3.755 -8.439 -1.955 1.00 0.00 H new ATOM 0 HA LEU A 608 4.358 -9.862 -4.314 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.844 -10.513 -2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.770 -9.188 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 608 1.279 -10.258 -4.965 1.00 0.00 H new ATOM 0 HD11 LEU A 608 1.855 -12.627 -5.344 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.293 -11.579 -5.304 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.893 -12.595 -3.899 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.125 -12.101 -4.017 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.804 -12.004 -2.502 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.199 -10.628 -3.020 1.00 0.00 H new ATOM 483 N GLU A 609 2.789 -7.099 -4.931 1.00 0.00 N ATOM 484 CA GLU A 609 2.391 -6.117 -5.923 1.00 0.00 C ATOM 485 C GLU A 609 3.659 -5.652 -6.662 1.00 0.00 C ATOM 486 O GLU A 609 3.667 -5.639 -7.893 1.00 0.00 O ATOM 487 CB GLU A 609 1.620 -4.963 -5.241 1.00 0.00 C ATOM 488 CG GLU A 609 0.389 -5.403 -4.401 1.00 0.00 C ATOM 489 CD GLU A 609 -0.976 -5.386 -5.080 1.00 0.00 C ATOM 490 OE1 GLU A 609 -1.048 -5.800 -6.259 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.951 -5.055 -4.358 1.00 0.00 O ATOM 0 H GLU A 609 2.789 -6.696 -3.994 1.00 0.00 H new ATOM 0 HA GLU A 609 1.707 -6.541 -6.658 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.308 -4.419 -4.593 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.286 -4.265 -6.009 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.572 -6.416 -4.043 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.335 -4.759 -3.523 1.00 0.00 H new ATOM 498 N LEU A 610 4.779 -5.397 -5.956 1.00 0.00 N ATOM 499 CA LEU A 610 6.052 -5.156 -6.638 1.00 0.00 C ATOM 500 C LEU A 610 6.455 -6.371 -7.473 1.00 0.00 C ATOM 501 O LEU A 610 7.009 -6.201 -8.555 1.00 0.00 O ATOM 502 CB LEU A 610 7.214 -4.828 -5.682 1.00 0.00 C ATOM 503 CG LEU A 610 7.498 -3.334 -5.487 1.00 0.00 C ATOM 504 CD1 LEU A 610 6.579 -2.710 -4.446 1.00 0.00 C ATOM 505 CD2 LEU A 610 8.933 -3.159 -4.991 1.00 0.00 C ATOM 0 H LEU A 610 4.823 -5.354 -4.938 1.00 0.00 H new ATOM 0 HA LEU A 610 5.878 -4.284 -7.269 1.00 0.00 H new ATOM 0 HB2 LEU A 610 6.999 -5.270 -4.709 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.118 -5.307 -6.057 1.00 0.00 H new ATOM 0 HG LEU A 610 7.335 -2.844 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 610 6.815 -1.651 -4.340 1.00 0.00 H new ATOM 0 HD12 LEU A 610 5.542 -2.821 -4.763 1.00 0.00 H new ATOM 0 HD13 LEU A 610 6.721 -3.211 -3.488 1.00 0.00 H new ATOM 0 HD21 LEU A 610 9.142 -2.099 -4.850 1.00 0.00 H new ATOM 0 HD22 LEU A 610 9.057 -3.683 -4.043 1.00 0.00 H new ATOM 0 HD23 LEU A 610 9.625 -3.571 -5.726 1.00 0.00 H new ATOM 517 N ILE A 611 6.193 -7.598 -7.007 1.00 0.00 N ATOM 518 CA ILE A 611 6.567 -8.768 -7.797 1.00 0.00 C ATOM 519 C ILE A 611 5.818 -8.728 -9.140 1.00 0.00 C ATOM 520 O ILE A 611 6.424 -9.032 -10.164 1.00 0.00 O ATOM 521 CB ILE A 611 6.413 -10.104 -7.028 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.297 -10.108 -5.761 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.886 -11.280 -7.903 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.048 -11.250 -4.781 1.00 0.00 C ATOM 0 H ILE A 611 5.739 -7.800 -6.116 1.00 0.00 H new ATOM 0 HA ILE A 611 7.636 -8.723 -8.005 1.00 0.00 H new ATOM 0 HB ILE A 611 5.360 -10.208 -6.765 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.342 -10.141 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.150 -9.165 -5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.773 -12.213 -7.351 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.286 -11.321 -8.812 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.934 -11.139 -8.166 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.723 -11.153 -3.931 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.016 -11.211 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.227 -12.203 -5.279 1.00 0.00 H new ATOM 536 N LYS A 612 4.553 -8.282 -9.191 1.00 0.00 N ATOM 537 CA LYS A 612 3.819 -8.279 -10.460 1.00 0.00 C ATOM 538 C LYS A 612 4.270 -7.118 -11.331 1.00 0.00 C ATOM 539 O LYS A 612 4.452 -7.316 -12.532 1.00 0.00 O ATOM 540 CB LYS A 612 2.287 -8.340 -10.316 1.00 0.00 C ATOM 541 CG LYS A 612 1.663 -7.592 -9.133 1.00 0.00 C ATOM 542 CD LYS A 612 0.152 -7.864 -9.027 1.00 0.00 C ATOM 543 CE LYS A 612 -0.245 -8.429 -7.659 1.00 0.00 C ATOM 544 NZ LYS A 612 0.522 -9.642 -7.302 1.00 0.00 N ATOM 0 H LYS A 612 4.031 -7.928 -8.390 1.00 0.00 H new ATOM 0 HA LYS A 612 4.074 -9.214 -10.960 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.846 -7.949 -11.233 1.00 0.00 H new ATOM 0 HB3 LYS A 612 1.996 -9.388 -10.244 1.00 0.00 H new ATOM 0 HG2 LYS A 612 2.154 -7.896 -8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 612 1.834 -6.522 -9.247 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.395 -6.938 -9.207 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.144 -8.566 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.089 -7.667 -6.896 1.00 0.00 H new ATOM 0 HE3 LYS A 612 -1.309 -8.664 -7.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -0.012 -10.198 -6.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 0.680 -10.217 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 1.439 -9.366 -6.896 1.00 0.00 H new ATOM 558 N GLU A 613 4.518 -5.943 -10.739 1.00 0.00 N ATOM 559 CA GLU A 613 4.932 -4.774 -11.501 1.00 0.00 C ATOM 560 C GLU A 613 6.318 -4.966 -12.126 1.00 0.00 C ATOM 561 O GLU A 613 6.660 -4.216 -13.037 1.00 0.00 O ATOM 562 CB GLU A 613 4.834 -3.491 -10.648 1.00 0.00 C ATOM 563 CG GLU A 613 6.127 -3.147 -9.899 1.00 0.00 C ATOM 564 CD GLU A 613 6.039 -1.860 -9.080 1.00 0.00 C ATOM 565 OE1 GLU A 613 5.412 -1.851 -7.996 1.00 0.00 O ATOM 566 OE2 GLU A 613 6.677 -0.863 -9.480 1.00 0.00 O ATOM 0 H GLU A 613 4.437 -5.784 -9.735 1.00 0.00 H new ATOM 0 HA GLU A 613 4.239 -4.653 -12.333 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.566 -2.655 -11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 613 4.026 -3.607 -9.925 1.00 0.00 H new ATOM 0 HG2 GLU A 613 6.382 -3.973 -9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.940 -3.054 -10.619 1.00 0.00 H new ATOM 573 N TYR A 614 7.104 -5.952 -11.663 1.00 0.00 N ATOM 574 CA TYR A 614 8.489 -6.118 -12.068 1.00 0.00 C ATOM 575 C TYR A 614 8.677 -7.437 -12.795 1.00 0.00 C ATOM 576 O TYR A 614 9.534 -7.513 -13.671 1.00 0.00 O ATOM 577 CB TYR A 614 9.460 -5.967 -10.888 1.00 0.00 C ATOM 578 CG TYR A 614 9.780 -4.528 -10.524 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.416 -3.699 -11.470 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.462 -4.020 -9.250 1.00 0.00 C ATOM 581 CE1 TYR A 614 10.710 -2.361 -11.159 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.753 -2.681 -8.931 1.00 0.00 C ATOM 583 CZ TYR A 614 10.370 -1.844 -9.887 1.00 0.00 C ATOM 584 OH TYR A 614 10.640 -0.546 -9.573 1.00 0.00 O ATOM 0 H TYR A 614 6.785 -6.654 -10.995 1.00 0.00 H new ATOM 0 HA TYR A 614 8.731 -5.314 -12.764 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.035 -6.464 -10.016 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.389 -6.484 -11.128 1.00 0.00 H new ATOM 0 HD1 TYR A 614 10.679 -4.095 -12.440 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.994 -4.659 -8.516 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.194 -1.729 -11.889 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.504 -2.293 -7.954 1.00 0.00 H new ATOM 0 HH TYR A 614 10.608 0.001 -10.386 1.00 0.00 H new ATOM 594 N GLU A 615 7.846 -8.450 -12.524 1.00 0.00 N ATOM 595 CA GLU A 615 7.732 -9.565 -13.435 1.00 0.00 C ATOM 596 C GLU A 615 7.244 -9.045 -14.789 1.00 0.00 C ATOM 597 O GLU A 615 7.933 -9.265 -15.786 1.00 0.00 O ATOM 598 CB GLU A 615 6.857 -10.693 -12.857 1.00 0.00 C ATOM 599 CG GLU A 615 7.692 -11.650 -11.981 1.00 0.00 C ATOM 600 CD GLU A 615 7.155 -13.081 -11.857 1.00 0.00 C ATOM 601 OE1 GLU A 615 6.230 -13.309 -11.046 1.00 0.00 O ATOM 602 OE2 GLU A 615 7.769 -13.975 -12.492 1.00 0.00 O ATOM 0 H GLU A 615 7.257 -8.510 -11.693 1.00 0.00 H new ATOM 0 HA GLU A 615 8.710 -10.024 -13.582 1.00 0.00 H new ATOM 0 HB2 GLU A 615 6.049 -10.264 -12.264 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.393 -11.251 -13.670 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.703 -11.695 -12.387 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.769 -11.223 -10.981 1.00 0.00 H new ATOM 609 N ASP A 616 6.125 -8.308 -14.840 1.00 0.00 N ATOM 610 CA ASP A 616 5.522 -7.885 -16.104 1.00 0.00 C ATOM 611 C ASP A 616 6.466 -6.981 -16.901 1.00 0.00 C ATOM 612 O ASP A 616 6.505 -7.053 -18.126 1.00 0.00 O ATOM 613 CB ASP A 616 4.189 -7.182 -15.822 1.00 0.00 C ATOM 614 CG ASP A 616 3.397 -6.932 -17.107 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.020 -7.942 -17.744 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.133 -5.747 -17.404 1.00 0.00 O ATOM 0 H ASP A 616 5.619 -7.993 -14.012 1.00 0.00 H new ATOM 0 HA ASP A 616 5.337 -8.768 -16.716 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.594 -7.790 -15.141 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.377 -6.233 -15.320 1.00 0.00 H new ATOM 621 N ASP A 617 7.302 -6.210 -16.195 1.00 0.00 N ATOM 622 CA ASP A 617 8.306 -5.324 -16.770 1.00 0.00 C ATOM 623 C ASP A 617 9.363 -6.108 -17.532 1.00 0.00 C ATOM 624 O ASP A 617 9.746 -5.765 -18.649 1.00 0.00 O ATOM 625 CB ASP A 617 8.986 -4.567 -15.633 1.00 0.00 C ATOM 626 CG ASP A 617 10.044 -3.572 -16.113 1.00 0.00 C ATOM 627 OD1 ASP A 617 9.671 -2.645 -16.865 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.210 -3.739 -15.689 1.00 0.00 O ATOM 0 H ASP A 617 7.293 -6.189 -15.175 1.00 0.00 H new ATOM 0 HA ASP A 617 7.815 -4.642 -17.464 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.229 -4.033 -15.059 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.452 -5.284 -14.957 1.00 0.00 H new ATOM 633 N TYR A 618 9.824 -7.188 -16.902 1.00 0.00 N ATOM 634 CA TYR A 618 10.848 -8.057 -17.442 1.00 0.00 C ATOM 635 C TYR A 618 10.244 -9.123 -18.358 1.00 0.00 C ATOM 636 O TYR A 618 10.987 -9.865 -19.001 1.00 0.00 O ATOM 637 CB TYR A 618 11.602 -8.674 -16.261 1.00 0.00 C ATOM 638 CG TYR A 618 13.032 -8.197 -16.124 1.00 0.00 C ATOM 639 CD1 TYR A 618 14.011 -8.666 -17.020 1.00 0.00 C ATOM 640 CD2 TYR A 618 13.382 -7.287 -15.109 1.00 0.00 C ATOM 641 CE1 TYR A 618 15.344 -8.237 -16.899 1.00 0.00 C ATOM 642 CE2 TYR A 618 14.716 -6.864 -14.971 1.00 0.00 C ATOM 643 CZ TYR A 618 15.701 -7.336 -15.867 1.00 0.00 C ATOM 644 OH TYR A 618 16.991 -6.917 -15.734 1.00 0.00 O ATOM 0 H TYR A 618 9.485 -7.482 -15.986 1.00 0.00 H new ATOM 0 HA TYR A 618 11.541 -7.489 -18.062 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.064 -8.445 -15.341 1.00 0.00 H new ATOM 0 HB3 TYR A 618 11.601 -9.759 -16.370 1.00 0.00 H new ATOM 0 HD1 TYR A 618 13.737 -9.358 -17.803 1.00 0.00 H new ATOM 0 HD2 TYR A 618 12.625 -6.913 -14.435 1.00 0.00 H new ATOM 0 HE1 TYR A 618 16.093 -8.593 -17.591 1.00 0.00 H new ATOM 0 HE2 TYR A 618 14.987 -6.179 -14.181 1.00 0.00 H new ATOM 0 HH TYR A 618 17.058 -6.301 -14.975 1.00 0.00 H new ATOM 654 N GLY A 619 8.910 -9.219 -18.395 1.00 0.00 N ATOM 655 CA GLY A 619 8.205 -10.273 -19.123 1.00 0.00 C ATOM 656 C GLY A 619 8.264 -11.614 -18.382 1.00 0.00 C ATOM 657 O GLY A 619 8.070 -12.667 -18.986 1.00 0.00 O ATOM 0 H GLY A 619 8.290 -8.564 -17.918 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.164 -9.982 -19.266 1.00 0.00 H new ATOM 0 HA3 GLY A 619 8.644 -10.386 -20.114 1.00 0.00 H new ATOM 661 N GLY A 620 8.542 -11.561 -17.078 1.00 0.00 N ATOM 662 CA GLY A 620 8.537 -12.652 -16.125 1.00 0.00 C ATOM 663 C GLY A 620 9.864 -12.767 -15.382 1.00 0.00 C ATOM 664 O GLY A 620 10.445 -13.849 -15.348 1.00 0.00 O ATOM 0 H GLY A 620 8.796 -10.678 -16.634 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.731 -12.502 -15.407 1.00 0.00 H new ATOM 0 HA3 GLY A 620 8.331 -13.587 -16.645 1.00 0.00 H new ATOM 668 N ARG A 621 10.362 -11.666 -14.794 1.00 0.00 N ATOM 669 CA ARG A 621 11.461 -11.720 -13.828 1.00 0.00 C ATOM 670 C ARG A 621 11.479 -10.486 -12.923 1.00 0.00 C ATOM 671 O ARG A 621 12.005 -9.457 -13.317 1.00 0.00 O ATOM 672 CB ARG A 621 12.806 -11.854 -14.561 1.00 0.00 C ATOM 673 CG ARG A 621 14.023 -12.110 -13.661 1.00 0.00 C ATOM 674 CD ARG A 621 15.320 -11.718 -14.380 1.00 0.00 C ATOM 675 NE ARG A 621 15.497 -12.478 -15.630 1.00 0.00 N ATOM 676 CZ ARG A 621 16.378 -12.213 -16.604 1.00 0.00 C ATOM 677 NH1 ARG A 621 17.242 -11.204 -16.484 1.00 0.00 N ATOM 678 NH2 ARG A 621 16.391 -12.968 -17.703 1.00 0.00 N ATOM 0 H ARG A 621 10.015 -10.724 -14.976 1.00 0.00 H new ATOM 0 HA ARG A 621 11.304 -12.595 -13.197 1.00 0.00 H new ATOM 0 HB2 ARG A 621 12.729 -12.670 -15.280 1.00 0.00 H new ATOM 0 HB3 ARG A 621 12.982 -10.942 -15.131 1.00 0.00 H new ATOM 0 HG2 ARG A 621 13.926 -11.538 -12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 621 14.060 -13.163 -13.382 1.00 0.00 H new ATOM 0 HD2 ARG A 621 15.306 -10.651 -14.601 1.00 0.00 H new ATOM 0 HD3 ARG A 621 16.170 -11.896 -13.721 1.00 0.00 H new ATOM 0 HE ARG A 621 14.889 -13.285 -15.767 1.00 0.00 H new ATOM 0 HH11 ARG A 621 17.236 -10.625 -15.644 1.00 0.00 H new ATOM 0 HH12 ARG A 621 17.908 -11.011 -17.232 1.00 0.00 H new ATOM 0 HH21 ARG A 621 15.733 -13.742 -17.798 1.00 0.00 H new ATOM 0 HH22 ARG A 621 17.059 -12.772 -18.449 1.00 0.00 H new ATOM 692 N ALA A 622 10.957 -10.581 -11.703 1.00 0.00 N ATOM 693 CA ALA A 622 11.079 -9.518 -10.706 1.00 0.00 C ATOM 694 C ALA A 622 12.381 -9.688 -9.901 1.00 0.00 C ATOM 695 O ALA A 622 12.444 -10.576 -9.047 1.00 0.00 O ATOM 696 CB ALA A 622 9.869 -9.476 -9.773 1.00 0.00 C ATOM 0 H ALA A 622 10.438 -11.396 -11.377 1.00 0.00 H new ATOM 0 HA ALA A 622 11.114 -8.566 -11.236 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.997 -8.673 -9.047 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.966 -9.297 -10.356 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.780 -10.428 -9.250 1.00 0.00 H new ATOM 702 N PRO A 623 13.434 -8.887 -10.147 1.00 0.00 N ATOM 703 CA PRO A 623 14.699 -8.979 -9.426 1.00 0.00 C ATOM 704 C PRO A 623 14.541 -8.641 -7.937 1.00 0.00 C ATOM 705 O PRO A 623 14.136 -7.530 -7.571 1.00 0.00 O ATOM 706 CB PRO A 623 15.667 -8.030 -10.136 1.00 0.00 C ATOM 707 CG PRO A 623 14.741 -7.056 -10.853 1.00 0.00 C ATOM 708 CD PRO A 623 13.533 -7.892 -11.198 1.00 0.00 C ATOM 0 HA PRO A 623 15.080 -10.000 -9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.320 -7.518 -9.429 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.311 -8.562 -10.836 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.475 -6.214 -10.214 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.210 -6.643 -11.746 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.633 -7.279 -11.244 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.648 -8.363 -12.174 1.00 0.00 H new ATOM 716 N THR A 624 14.915 -9.589 -7.071 1.00 0.00 N ATOM 717 CA THR A 624 14.754 -9.516 -5.624 1.00 0.00 C ATOM 718 C THR A 624 15.502 -8.299 -5.073 1.00 0.00 C ATOM 719 O THR A 624 15.011 -7.612 -4.177 1.00 0.00 O ATOM 720 CB THR A 624 15.244 -10.832 -4.979 1.00 0.00 C ATOM 721 OG1 THR A 624 14.774 -11.935 -5.730 1.00 0.00 O ATOM 722 CG2 THR A 624 14.746 -10.948 -3.538 1.00 0.00 C ATOM 0 H THR A 624 15.354 -10.458 -7.375 1.00 0.00 H new ATOM 0 HA THR A 624 13.700 -9.393 -5.376 1.00 0.00 H new ATOM 0 HB THR A 624 16.334 -10.828 -4.973 1.00 0.00 H new ATOM 0 HG1 THR A 624 15.132 -12.765 -5.351 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.103 -11.882 -3.104 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.123 -10.109 -2.954 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.656 -10.936 -3.528 1.00 0.00 H new ATOM 730 N ASN A 625 16.664 -7.984 -5.660 1.00 0.00 N ATOM 731 CA ASN A 625 17.473 -6.851 -5.238 1.00 0.00 C ATOM 732 C ASN A 625 16.719 -5.527 -5.421 1.00 0.00 C ATOM 733 O ASN A 625 16.906 -4.600 -4.625 1.00 0.00 O ATOM 734 CB ASN A 625 18.794 -6.829 -6.028 1.00 0.00 C ATOM 735 CG ASN A 625 19.937 -6.079 -5.337 1.00 0.00 C ATOM 736 OD1 ASN A 625 21.090 -6.458 -5.488 1.00 0.00 O ATOM 737 ND2 ASN A 625 19.673 -5.015 -4.590 1.00 0.00 N ATOM 0 H ASN A 625 17.062 -8.510 -6.438 1.00 0.00 H new ATOM 0 HA ASN A 625 17.691 -6.964 -4.176 1.00 0.00 H new ATOM 0 HB2 ASN A 625 19.109 -7.856 -6.212 1.00 0.00 H new ATOM 0 HB3 ASN A 625 18.613 -6.372 -7.001 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.434 -4.508 -4.138 1.00 0.00 H new ATOM 0 HD22 ASN A 625 18.709 -4.704 -4.468 1.00 0.00 H new ATOM 744 N ILE A 626 15.892 -5.428 -6.471 1.00 0.00 N ATOM 745 CA ILE A 626 15.130 -4.226 -6.766 1.00 0.00 C ATOM 746 C ILE A 626 13.926 -4.189 -5.833 1.00 0.00 C ATOM 747 O ILE A 626 13.759 -3.184 -5.156 1.00 0.00 O ATOM 748 CB ILE A 626 14.738 -4.184 -8.256 1.00 0.00 C ATOM 749 CG1 ILE A 626 15.971 -4.273 -9.192 1.00 0.00 C ATOM 750 CG2 ILE A 626 13.893 -2.944 -8.574 1.00 0.00 C ATOM 751 CD1 ILE A 626 16.996 -3.141 -9.052 1.00 0.00 C ATOM 0 H ILE A 626 15.738 -6.186 -7.136 1.00 0.00 H new ATOM 0 HA ILE A 626 15.729 -3.333 -6.592 1.00 0.00 H new ATOM 0 HB ILE A 626 14.129 -5.068 -8.446 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.477 -5.221 -9.007 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.620 -4.295 -10.224 1.00 0.00 H new ATOM 0 HG21 ILE A 626 13.632 -2.943 -9.632 1.00 0.00 H new ATOM 0 HG22 ILE A 626 12.982 -2.961 -7.976 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.463 -2.045 -8.340 1.00 0.00 H new ATOM 0 HD11 ILE A 626 17.815 -3.303 -9.752 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.516 -2.187 -9.270 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.386 -3.127 -8.034 1.00 0.00 H new ATOM 763 N LEU A 627 13.152 -5.282 -5.738 1.00 0.00 N ATOM 764 CA LEU A 627 12.039 -5.437 -4.789 1.00 0.00 C ATOM 765 C LEU A 627 12.405 -4.909 -3.403 1.00 0.00 C ATOM 766 O LEU A 627 11.679 -4.084 -2.855 1.00 0.00 O ATOM 767 CB LEU A 627 11.684 -6.931 -4.676 1.00 0.00 C ATOM 768 CG LEU A 627 10.626 -7.386 -5.691 1.00 0.00 C ATOM 769 CD1 LEU A 627 11.015 -8.712 -6.351 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.298 -7.511 -4.955 1.00 0.00 C ATOM 0 H LEU A 627 13.286 -6.100 -6.332 1.00 0.00 H new ATOM 0 HA LEU A 627 11.191 -4.862 -5.161 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.589 -7.523 -4.815 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.321 -7.135 -3.669 1.00 0.00 H new ATOM 0 HG LEU A 627 10.546 -6.653 -6.494 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.243 -9.004 -7.064 1.00 0.00 H new ATOM 0 HD12 LEU A 627 11.965 -8.594 -6.873 1.00 0.00 H new ATOM 0 HD13 LEU A 627 11.114 -9.483 -5.587 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.525 -7.834 -5.652 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.393 -8.244 -4.154 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.024 -6.545 -4.531 1.00 0.00 H new ATOM 782 N ILE A 628 13.520 -5.392 -2.845 1.00 0.00 N ATOM 783 CA ILE A 628 13.990 -4.998 -1.519 1.00 0.00 C ATOM 784 C ILE A 628 14.235 -3.486 -1.507 1.00 0.00 C ATOM 785 O ILE A 628 13.577 -2.756 -0.762 1.00 0.00 O ATOM 786 CB ILE A 628 15.222 -5.854 -1.130 1.00 0.00 C ATOM 787 CG1 ILE A 628 14.821 -7.339 -0.952 1.00 0.00 C ATOM 788 CG2 ILE A 628 15.855 -5.383 0.186 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.018 -8.293 -0.840 1.00 0.00 C ATOM 0 H ILE A 628 14.124 -6.072 -3.307 1.00 0.00 H new ATOM 0 HA ILE A 628 13.241 -5.193 -0.752 1.00 0.00 H new ATOM 0 HB ILE A 628 15.942 -5.742 -1.940 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.206 -7.435 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.203 -7.643 -1.797 1.00 0.00 H new ATOM 0 HG21 ILE A 628 16.715 -6.010 0.421 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.179 -4.347 0.084 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.122 -5.457 0.989 1.00 0.00 H new ATOM 0 HD11 ILE A 628 15.659 -9.315 -0.717 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.622 -8.227 -1.745 1.00 0.00 H new ATOM 0 HD13 ILE A 628 16.625 -8.016 0.022 1.00 0.00 H new ATOM 801 N THR A 629 15.154 -3.014 -2.352 1.00 0.00 N ATOM 802 CA THR A 629 15.571 -1.618 -2.380 1.00 0.00 C ATOM 803 C THR A 629 14.358 -0.695 -2.545 1.00 0.00 C ATOM 804 O THR A 629 14.186 0.232 -1.759 1.00 0.00 O ATOM 805 CB THR A 629 16.602 -1.409 -3.505 1.00 0.00 C ATOM 806 OG1 THR A 629 17.602 -2.411 -3.476 1.00 0.00 O ATOM 807 CG2 THR A 629 17.296 -0.049 -3.391 1.00 0.00 C ATOM 0 H THR A 629 15.631 -3.597 -3.040 1.00 0.00 H new ATOM 0 HA THR A 629 16.044 -1.363 -1.431 1.00 0.00 H new ATOM 0 HB THR A 629 16.046 -1.460 -4.441 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.439 -3.057 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 629 18.016 0.061 -4.202 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.552 0.745 -3.455 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.814 0.016 -2.434 1.00 0.00 H new ATOM 815 N GLU A 630 13.487 -0.989 -3.515 1.00 0.00 N ATOM 816 CA GLU A 630 12.261 -0.256 -3.788 1.00 0.00 C ATOM 817 C GLU A 630 11.361 -0.246 -2.553 1.00 0.00 C ATOM 818 O GLU A 630 10.885 0.814 -2.172 1.00 0.00 O ATOM 819 CB GLU A 630 11.526 -0.891 -4.975 1.00 0.00 C ATOM 820 CG GLU A 630 12.140 -0.579 -6.346 1.00 0.00 C ATOM 821 CD GLU A 630 11.886 0.866 -6.783 1.00 0.00 C ATOM 822 OE1 GLU A 630 10.691 1.223 -6.940 1.00 0.00 O ATOM 823 OE2 GLU A 630 12.881 1.600 -6.950 1.00 0.00 O ATOM 0 H GLU A 630 13.627 -1.774 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 630 12.515 0.774 -4.039 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.507 -1.972 -4.838 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.491 -0.550 -4.969 1.00 0.00 H new ATOM 0 HG2 GLU A 630 13.214 -0.762 -6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.726 -1.259 -7.090 1.00 0.00 H new ATOM 830 N MET A 631 11.143 -1.378 -1.879 1.00 0.00 N ATOM 831 CA MET A 631 10.348 -1.395 -0.651 1.00 0.00 C ATOM 832 C MET A 631 10.937 -0.453 0.424 1.00 0.00 C ATOM 833 O MET A 631 10.170 0.245 1.100 1.00 0.00 O ATOM 834 CB MET A 631 10.250 -2.829 -0.127 1.00 0.00 C ATOM 835 CG MET A 631 9.293 -3.769 -0.878 1.00 0.00 C ATOM 836 SD MET A 631 7.529 -3.558 -0.527 1.00 0.00 S ATOM 837 CE MET A 631 7.446 -4.320 1.112 1.00 0.00 C ATOM 0 H MET A 631 11.504 -2.289 -2.162 1.00 0.00 H new ATOM 0 HA MET A 631 9.348 -1.027 -0.882 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.247 -3.269 -0.148 1.00 0.00 H new ATOM 0 HB3 MET A 631 9.941 -2.790 0.917 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.448 -3.633 -1.948 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.569 -4.797 -0.644 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.756 -5.164 1.086 1.00 0.00 H new ATOM 0 HE2 MET A 631 8.437 -4.670 1.401 1.00 0.00 H new ATOM 0 HE3 MET A 631 7.094 -3.586 1.837 1.00 0.00 H new ATOM 847 N MET A 632 12.272 -0.373 0.571 1.00 0.00 N ATOM 848 CA MET A 632 12.897 0.575 1.497 1.00 0.00 C ATOM 849 C MET A 632 12.705 2.011 1.006 1.00 0.00 C ATOM 850 O MET A 632 12.590 2.923 1.817 1.00 0.00 O ATOM 851 CB MET A 632 14.410 0.319 1.637 1.00 0.00 C ATOM 852 CG MET A 632 14.873 -1.139 1.754 1.00 0.00 C ATOM 853 SD MET A 632 16.591 -1.467 1.293 1.00 0.00 S ATOM 854 CE MET A 632 17.412 -0.254 2.346 1.00 0.00 C ATOM 0 H MET A 632 12.934 -0.955 0.058 1.00 0.00 H new ATOM 0 HA MET A 632 12.415 0.434 2.464 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.907 0.762 0.774 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.762 0.856 2.518 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.726 -1.464 2.784 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.226 -1.756 1.130 1.00 0.00 H new ATOM 0 HE1 MET A 632 18.488 -0.428 2.331 1.00 0.00 H new ATOM 0 HE2 MET A 632 17.201 0.750 1.977 1.00 0.00 H new ATOM 0 HE3 MET A 632 17.043 -0.350 3.367 1.00 0.00 H new ATOM 864 N ASP A 633 12.666 2.222 -0.308 1.00 0.00 N ATOM 865 CA ASP A 633 12.624 3.542 -0.920 1.00 0.00 C ATOM 866 C ASP A 633 11.229 4.124 -0.772 1.00 0.00 C ATOM 867 O ASP A 633 11.026 5.251 -0.326 1.00 0.00 O ATOM 868 CB ASP A 633 12.969 3.409 -2.410 1.00 0.00 C ATOM 869 CG ASP A 633 13.576 4.710 -2.932 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.780 4.926 -2.666 1.00 0.00 O ATOM 871 OD2 ASP A 633 12.822 5.483 -3.564 1.00 0.00 O ATOM 0 H ASP A 633 12.663 1.462 -0.988 1.00 0.00 H new ATOM 0 HA ASP A 633 13.342 4.201 -0.431 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.671 2.588 -2.556 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.071 3.165 -2.978 1.00 0.00 H new ATOM 876 N ARG A 634 10.257 3.297 -1.151 1.00 0.00 N ATOM 877 CA ARG A 634 8.867 3.663 -1.281 1.00 0.00 C ATOM 878 C ARG A 634 8.184 3.681 0.078 1.00 0.00 C ATOM 879 O ARG A 634 7.288 4.496 0.292 1.00 0.00 O ATOM 880 CB ARG A 634 8.200 2.618 -2.173 1.00 0.00 C ATOM 881 CG ARG A 634 8.699 2.587 -3.626 1.00 0.00 C ATOM 882 CD ARG A 634 7.779 1.623 -4.382 1.00 0.00 C ATOM 883 NE ARG A 634 8.290 1.281 -5.710 1.00 0.00 N ATOM 884 CZ ARG A 634 7.656 0.567 -6.643 1.00 0.00 C ATOM 885 NH1 ARG A 634 6.417 0.106 -6.456 1.00 0.00 N ATOM 886 NH2 ARG A 634 8.306 0.316 -7.765 1.00 0.00 N ATOM 0 H ARG A 634 10.433 2.319 -1.382 1.00 0.00 H new ATOM 0 HA ARG A 634 8.784 4.661 -1.711 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.355 1.634 -1.731 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.125 2.800 -2.178 1.00 0.00 H new ATOM 0 HG2 ARG A 634 8.666 3.582 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.735 2.252 -3.673 1.00 0.00 H new ATOM 0 HD2 ARG A 634 7.656 0.711 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 634 6.791 2.073 -4.482 1.00 0.00 H new ATOM 0 HE ARG A 634 9.222 1.622 -5.946 1.00 0.00 H new ATOM 0 HH11 ARG A 634 5.929 0.297 -5.581 1.00 0.00 H new ATOM 0 HH12 ARG A 634 5.959 -0.437 -7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 634 9.256 0.664 -7.893 1.00 0.00 H new ATOM 0 HH22 ARG A 634 7.858 -0.226 -8.504 1.00 0.00 H new ATOM 900 N TYR A 635 8.561 2.755 0.972 1.00 0.00 N ATOM 901 CA TYR A 635 7.780 2.457 2.166 1.00 0.00 C ATOM 902 C TYR A 635 8.634 2.399 3.436 1.00 0.00 C ATOM 903 O TYR A 635 8.094 2.134 4.510 1.00 0.00 O ATOM 904 CB TYR A 635 7.035 1.135 1.951 1.00 0.00 C ATOM 905 CG TYR A 635 6.322 0.969 0.616 1.00 0.00 C ATOM 906 CD1 TYR A 635 5.358 1.898 0.177 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.670 -0.111 -0.214 1.00 0.00 C ATOM 908 CE1 TYR A 635 4.779 1.771 -1.101 1.00 0.00 C ATOM 909 CE2 TYR A 635 6.099 -0.248 -1.490 1.00 0.00 C ATOM 910 CZ TYR A 635 5.165 0.706 -1.951 1.00 0.00 C ATOM 911 OH TYR A 635 4.660 0.597 -3.213 1.00 0.00 O ATOM 0 H TYR A 635 9.411 2.199 0.882 1.00 0.00 H new ATOM 0 HA TYR A 635 7.070 3.270 2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.749 0.319 2.061 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.299 1.024 2.747 1.00 0.00 H new ATOM 0 HD1 TYR A 635 5.062 2.711 0.823 1.00 0.00 H new ATOM 0 HD2 TYR A 635 7.384 -0.843 0.133 1.00 0.00 H new ATOM 0 HE1 TYR A 635 4.041 2.486 -1.433 1.00 0.00 H new ATOM 0 HE2 TYR A 635 6.374 -1.082 -2.118 1.00 0.00 H new ATOM 0 HH TYR A 635 5.039 -0.194 -3.650 1.00 0.00 H new ATOM 921 N ASN A 636 9.947 2.642 3.327 1.00 0.00 N ATOM 922 CA ASN A 636 10.921 2.573 4.424 1.00 0.00 C ATOM 923 C ASN A 636 10.928 1.193 5.102 1.00 0.00 C ATOM 924 O ASN A 636 11.274 1.071 6.279 1.00 0.00 O ATOM 925 CB ASN A 636 10.697 3.743 5.396 1.00 0.00 C ATOM 926 CG ASN A 636 11.962 4.201 6.127 1.00 0.00 C ATOM 927 OD1 ASN A 636 12.352 5.357 6.036 1.00 0.00 O ATOM 928 ND2 ASN A 636 12.619 3.326 6.873 1.00 0.00 N ATOM 0 H ASN A 636 10.376 2.902 2.439 1.00 0.00 H new ATOM 0 HA ASN A 636 11.926 2.685 4.017 1.00 0.00 H new ATOM 0 HB2 ASN A 636 10.285 4.587 4.843 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.950 3.450 6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 636 13.457 3.614 7.378 1.00 0.00 H new ATOM 0 HD22 ASN A 636 12.287 2.364 6.943 1.00 0.00 H new ATOM 935 N VAL A 637 10.546 0.136 4.378 1.00 0.00 N ATOM 936 CA VAL A 637 10.633 -1.222 4.891 1.00 0.00 C ATOM 937 C VAL A 637 12.085 -1.621 4.674 1.00 0.00 C ATOM 938 O VAL A 637 12.502 -1.802 3.535 1.00 0.00 O ATOM 939 CB VAL A 637 9.657 -2.135 4.141 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.702 -3.583 4.632 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.207 -1.657 4.294 1.00 0.00 C ATOM 0 H VAL A 637 10.173 0.203 3.431 1.00 0.00 H new ATOM 0 HA VAL A 637 10.358 -1.303 5.943 1.00 0.00 H new ATOM 0 HB VAL A 637 9.976 -2.090 3.100 1.00 0.00 H new ATOM 0 HG11 VAL A 637 8.990 -4.182 4.064 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.706 -3.984 4.492 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.442 -3.617 5.690 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.543 -2.328 3.749 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.934 -1.655 5.349 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.112 -0.648 3.892 1.00 0.00 H new ATOM 951 N SER A 638 12.855 -1.692 5.757 1.00 0.00 N ATOM 952 CA SER A 638 14.269 -2.020 5.770 1.00 0.00 C ATOM 953 C SER A 638 14.464 -3.370 5.097 1.00 0.00 C ATOM 954 O SER A 638 13.570 -4.211 5.163 1.00 0.00 O ATOM 955 CB SER A 638 14.756 -2.085 7.224 1.00 0.00 C ATOM 956 OG SER A 638 14.304 -0.967 7.965 1.00 0.00 O ATOM 0 H SER A 638 12.488 -1.513 6.692 1.00 0.00 H new ATOM 0 HA SER A 638 14.839 -1.261 5.235 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.397 -3.003 7.690 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.845 -2.122 7.244 1.00 0.00 H new ATOM 0 HG SER A 638 14.627 -1.034 8.888 1.00 0.00 H new ATOM 962 N GLU A 639 15.636 -3.602 4.510 1.00 0.00 N ATOM 963 CA GLU A 639 15.988 -4.845 3.833 1.00 0.00 C ATOM 964 C GLU A 639 15.603 -6.067 4.671 1.00 0.00 C ATOM 965 O GLU A 639 14.961 -6.983 4.159 1.00 0.00 O ATOM 966 CB GLU A 639 17.481 -4.816 3.459 1.00 0.00 C ATOM 967 CG GLU A 639 18.024 -6.190 3.041 1.00 0.00 C ATOM 968 CD GLU A 639 19.370 -6.076 2.319 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.400 -5.997 3.025 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.350 -6.074 1.068 1.00 0.00 O ATOM 0 H GLU A 639 16.386 -2.911 4.492 1.00 0.00 H new ATOM 0 HA GLU A 639 15.415 -4.933 2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.631 -4.109 2.643 1.00 0.00 H new ATOM 0 HB3 GLU A 639 18.055 -4.448 4.309 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.138 -6.819 3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.303 -6.683 2.389 1.00 0.00 H new ATOM 977 N GLU A 640 15.883 -6.015 5.974 1.00 0.00 N ATOM 978 CA GLU A 640 15.562 -7.004 6.982 1.00 0.00 C ATOM 979 C GLU A 640 14.079 -7.342 6.953 1.00 0.00 C ATOM 980 O GLU A 640 13.644 -8.495 6.969 1.00 0.00 O ATOM 981 CB GLU A 640 15.871 -6.353 8.331 1.00 0.00 C ATOM 982 CG GLU A 640 17.342 -6.003 8.504 1.00 0.00 C ATOM 983 CD GLU A 640 17.572 -4.497 8.326 1.00 0.00 C ATOM 984 OE1 GLU A 640 17.266 -4.011 7.213 1.00 0.00 O ATOM 985 OE2 GLU A 640 17.970 -3.841 9.311 1.00 0.00 O ATOM 0 H GLU A 640 16.377 -5.217 6.373 1.00 0.00 H new ATOM 0 HA GLU A 640 16.130 -7.918 6.810 1.00 0.00 H new ATOM 0 HB2 GLU A 640 15.274 -5.447 8.435 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.568 -7.028 9.131 1.00 0.00 H new ATOM 0 HG2 GLU A 640 17.679 -6.312 9.493 1.00 0.00 H new ATOM 0 HG3 GLU A 640 17.939 -6.554 7.777 1.00 0.00 H new ATOM 992 N LYS A 641 13.313 -6.257 6.947 1.00 0.00 N ATOM 993 CA LYS A 641 11.892 -6.213 7.123 1.00 0.00 C ATOM 994 C LYS A 641 11.167 -6.536 5.822 1.00 0.00 C ATOM 995 O LYS A 641 9.979 -6.829 5.877 1.00 0.00 O ATOM 996 CB LYS A 641 11.516 -4.809 7.620 1.00 0.00 C ATOM 997 CG LYS A 641 10.909 -4.825 9.020 1.00 0.00 C ATOM 998 CD LYS A 641 9.623 -5.632 9.189 1.00 0.00 C ATOM 999 CE LYS A 641 8.529 -5.232 8.204 1.00 0.00 C ATOM 1000 NZ LYS A 641 7.292 -5.984 8.476 1.00 0.00 N ATOM 0 H LYS A 641 13.710 -5.328 6.808 1.00 0.00 H new ATOM 0 HA LYS A 641 11.589 -6.963 7.853 1.00 0.00 H new ATOM 0 HB2 LYS A 641 12.405 -4.178 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 641 10.806 -4.360 6.925 1.00 0.00 H new ATOM 0 HG2 LYS A 641 11.654 -5.219 9.712 1.00 0.00 H new ATOM 0 HG3 LYS A 641 10.709 -3.796 9.318 1.00 0.00 H new ATOM 0 HD2 LYS A 641 9.847 -6.691 9.063 1.00 0.00 H new ATOM 0 HD3 LYS A 641 9.252 -5.504 10.206 1.00 0.00 H new ATOM 0 HE2 LYS A 641 8.336 -4.162 8.280 1.00 0.00 H new ATOM 0 HE3 LYS A 641 8.862 -5.424 7.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 6.529 -5.629 7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 7.450 -6.994 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 7.023 -5.861 9.473 1.00 0.00 H new ATOM 1014 N VAL A 642 11.843 -6.450 4.673 1.00 0.00 N ATOM 1015 CA VAL A 642 11.368 -6.993 3.405 1.00 0.00 C ATOM 1016 C VAL A 642 11.694 -8.476 3.337 1.00 0.00 C ATOM 1017 O VAL A 642 10.837 -9.242 2.908 1.00 0.00 O ATOM 1018 CB VAL A 642 11.986 -6.274 2.182 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.244 -6.709 0.914 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.896 -4.750 2.224 1.00 0.00 C ATOM 0 H VAL A 642 12.752 -5.992 4.601 1.00 0.00 H new ATOM 0 HA VAL A 642 10.290 -6.834 3.366 1.00 0.00 H new ATOM 0 HB VAL A 642 13.040 -6.553 2.193 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.675 -6.205 0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.338 -7.788 0.790 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.190 -6.444 1.000 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.354 -4.334 1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.850 -4.448 2.270 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.420 -4.379 3.105 1.00 0.00 H new ATOM 1030 N GLU A 643 12.893 -8.893 3.755 1.00 0.00 N ATOM 1031 CA GLU A 643 13.328 -10.280 3.646 1.00 0.00 C ATOM 1032 C GLU A 643 12.331 -11.220 4.318 1.00 0.00 C ATOM 1033 O GLU A 643 11.976 -12.247 3.746 1.00 0.00 O ATOM 1034 CB GLU A 643 14.753 -10.430 4.203 1.00 0.00 C ATOM 1035 CG GLU A 643 15.695 -11.077 3.172 1.00 0.00 C ATOM 1036 CD GLU A 643 15.558 -12.607 3.080 1.00 0.00 C ATOM 1037 OE1 GLU A 643 15.053 -13.247 4.033 1.00 0.00 O ATOM 1038 OE2 GLU A 643 15.972 -13.185 2.050 1.00 0.00 O ATOM 0 H GLU A 643 13.586 -8.275 4.178 1.00 0.00 H new ATOM 0 HA GLU A 643 13.358 -10.565 2.594 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.139 -9.451 4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.729 -11.037 5.108 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.497 -10.644 2.191 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.725 -10.829 3.428 1.00 0.00 H new ATOM 1045 N GLU A 644 11.774 -10.814 5.462 1.00 0.00 N ATOM 1046 CA GLU A 644 10.724 -11.589 6.118 1.00 0.00 C ATOM 1047 C GLU A 644 9.531 -11.806 5.173 1.00 0.00 C ATOM 1048 O GLU A 644 9.044 -12.926 5.047 1.00 0.00 O ATOM 1049 CB GLU A 644 10.315 -10.968 7.469 1.00 0.00 C ATOM 1050 CG GLU A 644 9.197 -9.922 7.339 1.00 0.00 C ATOM 1051 CD GLU A 644 8.754 -9.212 8.618 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.511 -9.196 9.609 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.658 -8.600 8.563 1.00 0.00 O ATOM 0 H GLU A 644 12.033 -9.956 5.950 1.00 0.00 H new ATOM 0 HA GLU A 644 11.125 -12.575 6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 644 9.986 -11.760 8.141 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.188 -10.503 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.524 -9.164 6.628 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.325 -10.411 6.905 1.00 0.00 H new ATOM 1060 N LEU A 645 9.091 -10.744 4.486 1.00 0.00 N ATOM 1061 CA LEU A 645 7.949 -10.734 3.576 1.00 0.00 C ATOM 1062 C LEU A 645 8.233 -11.720 2.455 1.00 0.00 C ATOM 1063 O LEU A 645 7.385 -12.543 2.109 1.00 0.00 O ATOM 1064 CB LEU A 645 7.630 -9.318 3.046 1.00 0.00 C ATOM 1065 CG LEU A 645 7.605 -8.242 4.151 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.486 -6.829 3.579 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.497 -8.450 5.189 1.00 0.00 C ATOM 0 H LEU A 645 9.543 -9.832 4.555 1.00 0.00 H new ATOM 0 HA LEU A 645 7.052 -11.041 4.114 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.373 -9.042 2.297 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.663 -9.335 2.544 1.00 0.00 H new ATOM 0 HG LEU A 645 8.564 -8.353 4.656 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.472 -6.106 4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.337 -6.627 2.929 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.563 -6.745 3.005 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.542 -7.655 5.934 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.526 -8.429 4.694 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.634 -9.414 5.679 1.00 0.00 H new ATOM 1079 N ILE A 646 9.467 -11.673 1.950 1.00 0.00 N ATOM 1080 CA ILE A 646 9.960 -12.590 0.943 1.00 0.00 C ATOM 1081 C ILE A 646 9.836 -14.019 1.475 1.00 0.00 C ATOM 1082 O ILE A 646 9.290 -14.866 0.771 1.00 0.00 O ATOM 1083 CB ILE A 646 11.392 -12.194 0.494 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.368 -10.767 -0.089 1.00 0.00 C ATOM 1085 CG2 ILE A 646 11.913 -13.211 -0.528 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.723 -10.176 -0.486 1.00 0.00 C ATOM 0 H ILE A 646 10.158 -10.981 2.240 1.00 0.00 H new ATOM 0 HA ILE A 646 9.357 -12.535 0.037 1.00 0.00 H new ATOM 0 HB ILE A 646 12.069 -12.202 1.348 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.723 -10.767 -0.968 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.907 -10.105 0.644 1.00 0.00 H new ATOM 0 HG21 ILE A 646 12.919 -12.930 -0.841 1.00 0.00 H new ATOM 0 HG22 ILE A 646 11.938 -14.202 -0.075 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.254 -13.225 -1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.579 -9.171 -0.882 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.371 -10.132 0.389 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.185 -10.804 -1.248 1.00 0.00 H new ATOM 1098 N ARG A 647 10.283 -14.313 2.705 1.00 0.00 N ATOM 1099 CA ARG A 647 10.273 -15.705 3.174 1.00 0.00 C ATOM 1100 C ARG A 647 8.843 -16.170 3.385 1.00 0.00 C ATOM 1101 O ARG A 647 8.484 -17.238 2.907 1.00 0.00 O ATOM 1102 CB ARG A 647 11.077 -15.928 4.473 1.00 0.00 C ATOM 1103 CG ARG A 647 12.405 -15.166 4.552 1.00 0.00 C ATOM 1104 CD ARG A 647 13.524 -15.928 5.275 1.00 0.00 C ATOM 1105 NE ARG A 647 14.080 -17.030 4.465 1.00 0.00 N ATOM 1106 CZ ARG A 647 14.984 -16.895 3.481 1.00 0.00 C ATOM 1107 NH1 ARG A 647 15.425 -15.698 3.113 1.00 0.00 N ATOM 1108 NH2 ARG A 647 15.452 -17.976 2.856 1.00 0.00 N ATOM 0 H ARG A 647 10.644 -13.631 3.372 1.00 0.00 H new ATOM 0 HA ARG A 647 10.761 -16.291 2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 647 10.457 -15.636 5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 647 11.280 -16.994 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 647 12.736 -14.929 3.541 1.00 0.00 H new ATOM 0 HG3 ARG A 647 12.237 -14.218 5.063 1.00 0.00 H new ATOM 0 HD2 ARG A 647 14.323 -15.233 5.532 1.00 0.00 H new ATOM 0 HD3 ARG A 647 13.137 -16.330 6.211 1.00 0.00 H new ATOM 0 HE ARG A 647 13.750 -17.973 4.670 1.00 0.00 H new ATOM 0 HH11 ARG A 647 15.077 -14.861 3.580 1.00 0.00 H new ATOM 0 HH12 ARG A 647 16.112 -15.616 2.363 1.00 0.00 H new ATOM 0 HH21 ARG A 647 15.123 -18.903 3.126 1.00 0.00 H new ATOM 0 HH22 ARG A 647 16.139 -17.876 2.108 1.00 0.00 H new ATOM 1122 N ILE A 648 8.029 -15.363 4.065 1.00 0.00 N ATOM 1123 CA ILE A 648 6.637 -15.676 4.387 1.00 0.00 C ATOM 1124 C ILE A 648 5.907 -16.078 3.108 1.00 0.00 C ATOM 1125 O ILE A 648 5.372 -17.184 3.022 1.00 0.00 O ATOM 1126 CB ILE A 648 5.977 -14.472 5.094 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.605 -14.277 6.498 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.457 -14.633 5.247 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.372 -12.887 7.097 1.00 0.00 C ATOM 0 H ILE A 648 8.326 -14.452 4.415 1.00 0.00 H new ATOM 0 HA ILE A 648 6.584 -16.517 5.078 1.00 0.00 H new ATOM 0 HB ILE A 648 6.157 -13.600 4.465 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.195 -15.026 7.175 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.678 -14.458 6.433 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.047 -13.757 5.750 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.001 -14.732 4.262 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.243 -15.524 5.837 1.00 0.00 H new ATOM 0 HD11 ILE A 648 6.842 -12.831 8.079 1.00 0.00 H new ATOM 0 HD12 ILE A 648 6.807 -12.131 6.443 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.301 -12.708 7.196 1.00 0.00 H new ATOM 1141 N LEU A 649 5.881 -15.205 2.095 1.00 0.00 N ATOM 1142 CA LEU A 649 5.132 -15.515 0.892 1.00 0.00 C ATOM 1143 C LEU A 649 5.746 -16.688 0.103 1.00 0.00 C ATOM 1144 O LEU A 649 5.029 -17.366 -0.637 1.00 0.00 O ATOM 1145 CB LEU A 649 4.940 -14.254 0.039 1.00 0.00 C ATOM 1146 CG LEU A 649 3.881 -13.299 0.616 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.431 -12.287 1.623 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.224 -12.528 -0.531 1.00 0.00 C ATOM 0 H LEU A 649 6.359 -14.304 2.090 1.00 0.00 H new ATOM 0 HA LEU A 649 4.142 -15.859 1.191 1.00 0.00 H new ATOM 0 HB2 LEU A 649 5.891 -13.728 -0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.649 -14.545 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 649 3.169 -13.926 1.153 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.620 -11.652 1.981 1.00 0.00 H new ATOM 0 HD12 LEU A 649 4.876 -12.817 2.465 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.189 -11.670 1.141 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.472 -11.849 -0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 649 3.982 -11.955 -1.065 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.750 -13.230 -1.217 1.00 0.00 H new ATOM 1160 N LYS A 650 7.046 -16.959 0.279 1.00 0.00 N ATOM 1161 CA LYS A 650 7.723 -18.116 -0.330 1.00 0.00 C ATOM 1162 C LYS A 650 7.257 -19.404 0.334 1.00 0.00 C ATOM 1163 O LYS A 650 6.957 -20.393 -0.326 1.00 0.00 O ATOM 1164 CB LYS A 650 9.264 -18.011 -0.282 1.00 0.00 C ATOM 1165 CG LYS A 650 9.821 -17.062 -1.353 1.00 0.00 C ATOM 1166 CD LYS A 650 11.270 -16.618 -1.140 1.00 0.00 C ATOM 1167 CE LYS A 650 12.315 -17.708 -1.353 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.688 -17.163 -1.227 1.00 0.00 N ATOM 0 H LYS A 650 7.662 -16.380 0.850 1.00 0.00 H new ATOM 0 HA LYS A 650 7.446 -18.125 -1.384 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.571 -17.662 0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.697 -19.002 -0.418 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.747 -17.552 -2.324 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.188 -16.175 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.485 -15.792 -1.818 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.371 -16.232 -0.126 1.00 0.00 H new ATOM 0 HE2 LYS A 650 12.168 -18.504 -0.623 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.186 -18.152 -2.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.371 -17.851 -1.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.760 -16.275 -1.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.898 -16.980 -0.225 1.00 0.00 H new ATOM 1182 N ASP A 651 7.164 -19.347 1.653 1.00 0.00 N ATOM 1183 CA ASP A 651 6.823 -20.443 2.559 1.00 0.00 C ATOM 1184 C ASP A 651 5.384 -20.881 2.326 1.00 0.00 C ATOM 1185 O ASP A 651 5.067 -22.067 2.275 1.00 0.00 O ATOM 1186 CB ASP A 651 6.993 -19.961 4.002 1.00 0.00 C ATOM 1187 CG ASP A 651 6.889 -21.114 4.995 1.00 0.00 C ATOM 1188 OD1 ASP A 651 7.838 -21.929 5.017 1.00 0.00 O ATOM 1189 OD2 ASP A 651 5.878 -21.145 5.731 1.00 0.00 O ATOM 0 H ASP A 651 7.335 -18.477 2.157 1.00 0.00 H new ATOM 0 HA ASP A 651 7.480 -21.292 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 651 7.961 -19.472 4.111 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.232 -19.215 4.229 1.00 0.00 H new ATOM 1194 N LYS A 652 4.523 -19.888 2.091 1.00 0.00 N ATOM 1195 CA LYS A 652 3.127 -20.075 1.717 1.00 0.00 C ATOM 1196 C LYS A 652 2.972 -20.669 0.318 1.00 0.00 C ATOM 1197 O LYS A 652 1.855 -21.029 -0.048 1.00 0.00 O ATOM 1198 CB LYS A 652 2.441 -18.707 1.777 1.00 0.00 C ATOM 1199 CG LYS A 652 2.187 -18.276 3.228 1.00 0.00 C ATOM 1200 CD LYS A 652 2.246 -16.751 3.380 1.00 0.00 C ATOM 1201 CE LYS A 652 1.028 -16.160 4.099 1.00 0.00 C ATOM 1202 NZ LYS A 652 -0.213 -16.300 3.305 1.00 0.00 N ATOM 0 H LYS A 652 4.789 -18.906 2.159 1.00 0.00 H new ATOM 0 HA LYS A 652 2.670 -20.782 2.410 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.062 -17.964 1.278 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.496 -18.747 1.236 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.210 -18.637 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.929 -18.737 3.881 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.148 -16.483 3.930 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.330 -16.298 2.392 1.00 0.00 H new ATOM 0 HE2 LYS A 652 0.900 -16.657 5.061 1.00 0.00 H new ATOM 0 HE3 LYS A 652 1.207 -15.105 4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 -0.989 -15.798 3.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 -0.068 -15.893 2.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 -0.456 -17.307 3.215 1.00 0.00 H new ATOM 1216 N GLY A 653 4.044 -20.715 -0.482 1.00 0.00 N ATOM 1217 CA GLY A 653 3.952 -21.044 -1.895 1.00 0.00 C ATOM 1218 C GLY A 653 3.108 -20.019 -2.653 1.00 0.00 C ATOM 1219 O GLY A 653 2.521 -20.363 -3.676 1.00 0.00 O ATOM 0 H GLY A 653 4.994 -20.525 -0.162 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.952 -21.084 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.514 -22.035 -2.011 1.00 0.00 H new ATOM 1223 N ALA A 654 3.019 -18.776 -2.157 1.00 0.00 N ATOM 1224 CA ALA A 654 2.429 -17.677 -2.906 1.00 0.00 C ATOM 1225 C ALA A 654 3.438 -17.163 -3.934 1.00 0.00 C ATOM 1226 O ALA A 654 3.068 -16.814 -5.057 1.00 0.00 O ATOM 1227 CB ALA A 654 2.007 -16.566 -1.941 1.00 0.00 C ATOM 0 H ALA A 654 3.354 -18.514 -1.230 1.00 0.00 H new ATOM 0 HA ALA A 654 1.542 -18.021 -3.437 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.565 -15.744 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.275 -16.957 -1.234 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.880 -16.206 -1.397 1.00 0.00 H new ATOM 1233 N ILE A 655 4.720 -17.135 -3.554 1.00 0.00 N ATOM 1234 CA ILE A 655 5.808 -16.739 -4.432 1.00 0.00 C ATOM 1235 C ILE A 655 6.925 -17.768 -4.317 1.00 0.00 C ATOM 1236 O ILE A 655 6.826 -18.743 -3.569 1.00 0.00 O ATOM 1237 CB ILE A 655 6.277 -15.299 -4.137 1.00 0.00 C ATOM 1238 CG1 ILE A 655 6.953 -15.201 -2.765 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.090 -14.340 -4.255 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.692 -13.888 -2.529 1.00 0.00 C ATOM 0 H ILE A 655 5.027 -17.391 -2.616 1.00 0.00 H new ATOM 0 HA ILE A 655 5.465 -16.721 -5.467 1.00 0.00 H new ATOM 0 HB ILE A 655 7.028 -15.014 -4.874 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.197 -15.325 -1.989 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.657 -16.026 -2.659 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.422 -13.323 -4.046 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.682 -14.389 -5.265 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.320 -14.624 -3.538 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.142 -13.897 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.472 -13.770 -3.281 1.00 0.00 H new ATOM 0 HD13 ILE A 655 6.990 -13.057 -2.601 1.00 0.00 H new ATOM 1252 N PHE A 656 7.989 -17.549 -5.076 1.00 0.00 N ATOM 1253 CA PHE A 656 9.117 -18.440 -5.163 1.00 0.00 C ATOM 1254 C PHE A 656 10.344 -17.652 -5.580 1.00 0.00 C ATOM 1255 O PHE A 656 10.220 -16.506 -6.006 1.00 0.00 O ATOM 1256 CB PHE A 656 8.786 -19.515 -6.197 1.00 0.00 C ATOM 1257 CG PHE A 656 9.412 -20.841 -5.850 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.896 -21.586 -4.774 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.543 -21.293 -6.552 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.513 -22.795 -4.405 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.161 -22.499 -6.180 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.644 -23.251 -5.108 1.00 0.00 C ATOM 0 H PHE A 656 8.086 -16.720 -5.662 1.00 0.00 H new ATOM 0 HA PHE A 656 9.323 -18.909 -4.201 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.704 -19.631 -6.266 1.00 0.00 H new ATOM 0 HB3 PHE A 656 9.135 -19.194 -7.178 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.030 -21.231 -4.234 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.936 -20.715 -7.375 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.119 -23.373 -3.582 1.00 0.00 H new ATOM 0 HE2 PHE A 656 12.031 -22.848 -6.716 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.116 -24.180 -4.824 1.00 0.00 H new ATOM 1272 N GLU A 657 11.512 -18.290 -5.519 1.00 0.00 N ATOM 1273 CA GLU A 657 12.768 -17.718 -5.979 1.00 0.00 C ATOM 1274 C GLU A 657 13.415 -18.710 -6.958 1.00 0.00 C ATOM 1275 O GLU A 657 14.298 -19.470 -6.567 1.00 0.00 O ATOM 1276 CB GLU A 657 13.615 -17.315 -4.763 1.00 0.00 C ATOM 1277 CG GLU A 657 14.783 -16.370 -5.106 1.00 0.00 C ATOM 1278 CD GLU A 657 14.889 -15.173 -4.150 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.680 -15.396 -2.931 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.148 -14.048 -4.645 1.00 0.00 O ATOM 0 H GLU A 657 11.609 -19.233 -5.142 1.00 0.00 H new ATOM 0 HA GLU A 657 12.638 -16.793 -6.540 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.972 -16.831 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 657 14.013 -18.215 -4.295 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.717 -16.932 -5.080 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.659 -16.004 -6.125 1.00 0.00 H new ATOM 1287 N PRO A 658 12.935 -18.770 -8.219 1.00 0.00 N ATOM 1288 CA PRO A 658 13.372 -19.745 -9.222 1.00 0.00 C ATOM 1289 C PRO A 658 14.826 -19.558 -9.666 1.00 0.00 C ATOM 1290 O PRO A 658 15.411 -20.477 -10.238 1.00 0.00 O ATOM 1291 CB PRO A 658 12.438 -19.557 -10.419 1.00 0.00 C ATOM 1292 CG PRO A 658 11.986 -18.114 -10.270 1.00 0.00 C ATOM 1293 CD PRO A 658 11.834 -17.996 -8.764 1.00 0.00 C ATOM 0 HA PRO A 658 13.327 -20.747 -8.795 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.954 -19.724 -11.365 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.597 -20.250 -10.388 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.721 -17.412 -10.664 1.00 0.00 H new ATOM 0 HG3 PRO A 658 11.049 -17.922 -10.793 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.884 -16.956 -8.442 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.873 -18.387 -8.431 1.00 0.00 H new ATOM 1301 N ALA A 659 15.402 -18.376 -9.427 1.00 0.00 N ATOM 1302 CA ALA A 659 16.802 -18.081 -9.687 1.00 0.00 C ATOM 1303 C ALA A 659 17.365 -17.194 -8.582 1.00 0.00 C ATOM 1304 O ALA A 659 16.636 -16.702 -7.725 1.00 0.00 O ATOM 1305 CB ALA A 659 16.969 -17.422 -11.061 1.00 0.00 C ATOM 0 H ALA A 659 14.890 -17.584 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 659 17.362 -19.016 -9.695 1.00 0.00 H new ATOM 0 HB1 ALA A 659 18.023 -17.209 -11.237 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.601 -18.096 -11.835 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.401 -16.492 -11.090 1.00 0.00 H new ATOM 1311 N ARG A 660 18.679 -16.964 -8.650 1.00 0.00 N ATOM 1312 CA ARG A 660 19.569 -16.447 -7.605 1.00 0.00 C ATOM 1313 C ARG A 660 19.320 -14.996 -7.152 1.00 0.00 C ATOM 1314 O ARG A 660 20.196 -14.388 -6.543 1.00 0.00 O ATOM 1315 CB ARG A 660 21.019 -16.660 -8.075 1.00 0.00 C ATOM 1316 CG ARG A 660 21.445 -15.773 -9.259 1.00 0.00 C ATOM 1317 CD ARG A 660 22.911 -16.047 -9.608 1.00 0.00 C ATOM 1318 NE ARG A 660 23.383 -15.175 -10.697 1.00 0.00 N ATOM 1319 CZ ARG A 660 24.590 -15.229 -11.281 1.00 0.00 C ATOM 1320 NH1 ARG A 660 25.488 -16.142 -10.903 1.00 0.00 N ATOM 1321 NH2 ARG A 660 24.900 -14.364 -12.247 1.00 0.00 N ATOM 0 H ARG A 660 19.192 -17.151 -9.512 1.00 0.00 H new ATOM 0 HA ARG A 660 19.351 -17.012 -6.699 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.690 -16.472 -7.237 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.146 -17.705 -8.357 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.812 -15.974 -10.123 1.00 0.00 H new ATOM 0 HG3 ARG A 660 21.312 -14.722 -9.004 1.00 0.00 H new ATOM 0 HD2 ARG A 660 23.530 -15.894 -8.724 1.00 0.00 H new ATOM 0 HD3 ARG A 660 23.027 -17.090 -9.901 1.00 0.00 H new ATOM 0 HE ARG A 660 22.734 -14.466 -11.038 1.00 0.00 H new ATOM 0 HH11 ARG A 660 25.259 -16.807 -10.164 1.00 0.00 H new ATOM 0 HH12 ARG A 660 26.403 -16.175 -11.353 1.00 0.00 H new ATOM 0 HH21 ARG A 660 24.220 -13.663 -12.541 1.00 0.00 H new ATOM 0 HH22 ARG A 660 25.817 -14.404 -12.692 1.00 0.00 H new ATOM 1335 N GLY A 661 18.163 -14.432 -7.479 1.00 0.00 N ATOM 1336 CA GLY A 661 17.756 -13.078 -7.151 1.00 0.00 C ATOM 1337 C GLY A 661 16.581 -12.643 -8.019 1.00 0.00 C ATOM 1338 O GLY A 661 16.556 -11.497 -8.464 1.00 0.00 O ATOM 0 H GLY A 661 17.450 -14.935 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.478 -13.022 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.594 -12.396 -7.296 1.00 0.00 H new ATOM 1342 N TYR A 662 15.633 -13.551 -8.281 1.00 0.00 N ATOM 1343 CA TYR A 662 14.409 -13.315 -9.033 1.00 0.00 C ATOM 1344 C TYR A 662 13.284 -13.907 -8.191 1.00 0.00 C ATOM 1345 O TYR A 662 13.277 -15.122 -8.006 1.00 0.00 O ATOM 1346 CB TYR A 662 14.512 -13.989 -10.422 1.00 0.00 C ATOM 1347 CG TYR A 662 13.212 -14.308 -11.164 1.00 0.00 C ATOM 1348 CD1 TYR A 662 12.015 -13.615 -10.901 1.00 0.00 C ATOM 1349 CD2 TYR A 662 13.190 -15.353 -12.110 1.00 0.00 C ATOM 1350 CE1 TYR A 662 10.800 -14.043 -11.458 1.00 0.00 C ATOM 1351 CE2 TYR A 662 11.983 -15.738 -12.729 1.00 0.00 C ATOM 1352 CZ TYR A 662 10.766 -15.110 -12.378 1.00 0.00 C ATOM 1353 OH TYR A 662 9.580 -15.520 -12.914 1.00 0.00 O ATOM 0 H TYR A 662 15.709 -14.515 -7.956 1.00 0.00 H new ATOM 0 HA TYR A 662 14.227 -12.256 -9.217 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.112 -13.343 -11.063 1.00 0.00 H new ATOM 0 HB3 TYR A 662 15.065 -14.921 -10.301 1.00 0.00 H new ATOM 0 HD1 TYR A 662 12.032 -12.744 -10.263 1.00 0.00 H new ATOM 0 HD2 TYR A 662 14.107 -15.864 -12.363 1.00 0.00 H new ATOM 0 HE1 TYR A 662 9.881 -13.549 -11.179 1.00 0.00 H new ATOM 0 HE2 TYR A 662 11.988 -16.518 -13.476 1.00 0.00 H new ATOM 0 HH TYR A 662 8.840 -15.174 -12.373 1.00 0.00 H new ATOM 1363 N LEU A 663 12.340 -13.085 -7.712 1.00 0.00 N ATOM 1364 CA LEU A 663 11.102 -13.585 -7.123 1.00 0.00 C ATOM 1365 C LEU A 663 10.020 -13.734 -8.179 1.00 0.00 C ATOM 1366 O LEU A 663 9.743 -12.808 -8.936 1.00 0.00 O ATOM 1367 CB LEU A 663 10.570 -12.680 -6.005 1.00 0.00 C ATOM 1368 CG LEU A 663 11.418 -12.711 -4.728 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.797 -11.789 -3.676 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.571 -14.121 -4.139 1.00 0.00 C ATOM 0 H LEU A 663 12.416 -12.068 -7.724 1.00 0.00 H new ATOM 0 HA LEU A 663 11.347 -14.556 -6.693 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.521 -11.655 -6.372 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.551 -12.981 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 663 12.415 -12.368 -5.004 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.401 -11.813 -2.769 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.760 -10.770 -4.061 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.786 -12.127 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.182 -14.074 -3.237 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.588 -14.520 -3.891 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.053 -14.770 -4.870 1.00 0.00 H new ATOM 1382 N LYS A 664 9.380 -14.898 -8.169 1.00 0.00 N ATOM 1383 CA LYS A 664 8.308 -15.315 -9.056 1.00 0.00 C ATOM 1384 C LYS A 664 7.033 -15.402 -8.254 1.00 0.00 C ATOM 1385 O LYS A 664 7.050 -15.978 -7.168 1.00 0.00 O ATOM 1386 CB LYS A 664 8.710 -16.683 -9.637 1.00 0.00 C ATOM 1387 CG LYS A 664 7.549 -17.531 -10.154 1.00 0.00 C ATOM 1388 CD LYS A 664 7.942 -18.922 -10.670 1.00 0.00 C ATOM 1389 CE LYS A 664 6.691 -19.815 -10.833 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.516 -19.131 -11.429 1.00 0.00 N ATOM 0 H LYS A 664 9.616 -15.624 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 664 8.144 -14.612 -9.872 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.414 -16.522 -10.453 1.00 0.00 H new ATOM 0 HB3 LYS A 664 9.238 -17.247 -8.868 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.820 -17.650 -9.352 1.00 0.00 H new ATOM 0 HG3 LYS A 664 7.052 -16.988 -10.958 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.456 -18.829 -11.627 1.00 0.00 H new ATOM 0 HD3 LYS A 664 8.641 -19.389 -9.976 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.951 -20.671 -11.456 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.410 -20.206 -9.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.679 -19.743 -11.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.342 -18.238 -10.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 5.702 -18.932 -12.433 1.00 0.00 H new ATOM 1404 N ILE A 665 5.927 -14.923 -8.818 1.00 0.00 N ATOM 1405 CA ILE A 665 4.611 -15.322 -8.322 1.00 0.00 C ATOM 1406 C ILE A 665 4.381 -16.771 -8.753 1.00 0.00 C ATOM 1407 O ILE A 665 4.563 -17.066 -9.937 1.00 0.00 O ATOM 1408 CB ILE A 665 3.487 -14.389 -8.825 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.776 -12.943 -8.374 1.00 0.00 C ATOM 1410 CG2 ILE A 665 2.127 -14.873 -8.284 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.844 -11.881 -8.954 1.00 0.00 C ATOM 0 H ILE A 665 5.913 -14.271 -9.603 1.00 0.00 H new ATOM 0 HA ILE A 665 4.585 -15.241 -7.235 1.00 0.00 H new ATOM 0 HB ILE A 665 3.450 -14.411 -9.914 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.717 -12.900 -7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.801 -12.692 -8.648 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.337 -14.212 -8.641 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.937 -15.888 -8.633 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.144 -14.862 -7.194 1.00 0.00 H new ATOM 0 HD11 ILE A 665 3.131 -10.900 -8.576 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.918 -11.887 -10.041 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.817 -12.098 -8.659 1.00 0.00 H new ATOM 1423 N VAL A 666 4.036 -17.672 -7.818 1.00 0.00 N ATOM 1424 CA VAL A 666 3.843 -19.093 -8.139 1.00 0.00 C ATOM 1425 C VAL A 666 2.830 -19.263 -9.274 1.00 0.00 C ATOM 1426 O VAL A 666 3.252 -19.870 -10.290 1.00 0.00 O ATOM 1427 CB VAL A 666 3.508 -19.900 -6.864 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.950 -21.305 -7.139 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.804 -20.071 -6.058 1.00 0.00 C ATOM 1430 OXT VAL A 666 1.692 -18.770 -9.127 1.00 0.00 O ATOM 0 H VAL A 666 3.886 -17.441 -6.836 1.00 0.00 H new ATOM 0 HA VAL A 666 4.777 -19.510 -8.516 1.00 0.00 H new ATOM 0 HB VAL A 666 2.736 -19.343 -6.334 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.741 -21.805 -6.193 1.00 0.00 H new ATOM 0 HG12 VAL A 666 2.030 -21.224 -7.718 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.683 -21.884 -7.701 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.596 -20.638 -5.151 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.539 -20.606 -6.660 1.00 0.00 H new ATOM 0 HG23 VAL A 666 5.198 -19.091 -5.790 1.00 0.00 H new