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 618 TYR OH : rot 136:sc= 1.25 USER MOD Set 1.2: A 662 TYR OH : rot 180:sc= 1.05 USER MOD Single : A 603 LYS NZ :NH3+ -116:sc= 0.346 (180deg=-3.04!) USER MOD Single : A 612 LYS NZ :NH3+ -160:sc= 1.27 (180deg=1.13) USER MOD Single : A 614 TYR OH : rot 165:sc= 0 USER MOD Single : A 624 THR OG1 : rot 174:sc= 0.943 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 81:sc= 0.254 USER MOD Single : A 631 MET CE :methyl 174:sc= -0.6 (180deg=-0.653) USER MOD Single : A 632 MET CE :methyl 143:sc= -0.426 (180deg=-1.22) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 638 SER OG : rot 180:sc= 0.0127 USER MOD Single : A 641 LYS NZ :NH3+ 168:sc= 2.2 (180deg=2.06) USER MOD Single : A 650 LYS NZ :NH3+ 178:sc= 1.25 (180deg=1.17) USER MOD Single : A 652 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0317) USER MOD Single : A 664 LYS NZ :NH3+ -175:sc= 2.09 (180deg=1.87) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -4.214 -2.488 2.444 1.00 0.00 N ATOM 325 CA ARG A 601 -2.845 -2.782 2.050 1.00 0.00 C ATOM 326 C ARG A 601 -2.165 -3.455 3.235 1.00 0.00 C ATOM 327 O ARG A 601 -2.593 -3.286 4.381 1.00 0.00 O ATOM 328 CB ARG A 601 -2.102 -1.498 1.623 1.00 0.00 C ATOM 329 CG ARG A 601 -1.875 -0.488 2.763 1.00 0.00 C ATOM 330 CD ARG A 601 -0.548 -0.727 3.504 1.00 0.00 C ATOM 331 NE ARG A 601 -0.453 0.082 4.729 1.00 0.00 N ATOM 332 CZ ARG A 601 -0.970 -0.232 5.931 1.00 0.00 C ATOM 333 NH1 ARG A 601 -1.691 -1.341 6.129 1.00 0.00 N ATOM 334 NH2 ARG A 601 -0.761 0.587 6.963 1.00 0.00 N ATOM 0 HA ARG A 601 -2.830 -3.445 1.185 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.136 -1.775 1.201 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.669 -1.011 0.830 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.883 0.523 2.356 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.700 -0.553 3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.459 -1.783 3.758 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.285 -0.486 2.844 1.00 0.00 H new ATOM 0 HE ARG A 601 0.053 0.965 4.661 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -1.865 -1.981 5.354 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -2.067 -1.546 7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 601 -0.215 1.439 6.835 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -1.147 0.361 7.880 1.00 0.00 H new ATOM 348 N ASP A 602 -1.026 -4.090 2.989 1.00 0.00 N ATOM 349 CA ASP A 602 -0.239 -4.859 3.945 1.00 0.00 C ATOM 350 C ASP A 602 1.178 -4.860 3.417 1.00 0.00 C ATOM 351 O ASP A 602 1.335 -4.830 2.200 1.00 0.00 O ATOM 352 CB ASP A 602 -0.781 -6.283 3.870 1.00 0.00 C ATOM 353 CG ASP A 602 -0.224 -7.363 4.766 1.00 0.00 C ATOM 354 OD1 ASP A 602 0.911 -7.199 5.267 1.00 0.00 O ATOM 355 OD2 ASP A 602 -0.926 -8.401 4.775 1.00 0.00 O ATOM 0 H ASP A 602 -0.602 -4.081 2.062 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.279 -4.467 4.961 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.853 -6.230 4.059 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.655 -6.621 2.842 1.00 0.00 H new ATOM 360 N LYS A 603 2.197 -4.979 4.267 1.00 0.00 N ATOM 361 CA LYS A 603 3.574 -5.109 3.798 1.00 0.00 C ATOM 362 C LYS A 603 3.672 -6.317 2.848 1.00 0.00 C ATOM 363 O LYS A 603 4.366 -6.220 1.837 1.00 0.00 O ATOM 364 CB LYS A 603 4.541 -5.209 4.990 1.00 0.00 C ATOM 365 CG LYS A 603 4.456 -4.052 6.015 1.00 0.00 C ATOM 366 CD LYS A 603 5.455 -2.891 5.861 1.00 0.00 C ATOM 367 CE LYS A 603 5.051 -1.904 4.759 1.00 0.00 C ATOM 368 NZ LYS A 603 5.699 -0.574 4.900 1.00 0.00 N ATOM 0 H LYS A 603 2.094 -4.988 5.282 1.00 0.00 H new ATOM 0 HA LYS A 603 3.867 -4.221 3.238 1.00 0.00 H new ATOM 0 HB2 LYS A 603 4.352 -6.148 5.511 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.560 -5.257 4.606 1.00 0.00 H new ATOM 0 HG2 LYS A 603 3.449 -3.637 5.971 1.00 0.00 H new ATOM 0 HG3 LYS A 603 4.583 -4.475 7.011 1.00 0.00 H new ATOM 0 HD2 LYS A 603 5.535 -2.358 6.809 1.00 0.00 H new ATOM 0 HD3 LYS A 603 6.443 -3.294 5.637 1.00 0.00 H new ATOM 0 HE2 LYS A 603 5.310 -2.327 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 603 3.968 -1.777 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 4.972 0.149 5.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 6.365 -0.595 5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 6.213 -0.344 4.026 1.00 0.00 H new ATOM 382 N PHE A 604 2.902 -7.392 3.091 1.00 0.00 N ATOM 383 CA PHE A 604 2.763 -8.512 2.158 1.00 0.00 C ATOM 384 C PHE A 604 2.239 -8.058 0.788 1.00 0.00 C ATOM 385 O PHE A 604 2.848 -8.380 -0.232 1.00 0.00 O ATOM 386 CB PHE A 604 1.838 -9.591 2.749 1.00 0.00 C ATOM 387 CG PHE A 604 2.257 -10.215 4.075 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.614 -10.342 4.437 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.268 -10.694 4.956 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.968 -10.894 5.679 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.622 -11.257 6.194 1.00 0.00 C ATOM 392 CZ PHE A 604 2.974 -11.349 6.561 1.00 0.00 C ATOM 0 H PHE A 604 2.358 -7.504 3.946 1.00 0.00 H new ATOM 0 HA PHE A 604 3.757 -8.934 2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.848 -9.154 2.879 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.739 -10.391 2.015 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.385 -10.013 3.756 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.227 -10.628 4.677 1.00 0.00 H new ATOM 0 HE1 PHE A 604 5.009 -10.969 5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.855 -11.619 6.863 1.00 0.00 H new ATOM 0 HZ PHE A 604 3.249 -11.768 7.518 1.00 0.00 H new ATOM 402 N ARG A 605 1.127 -7.305 0.748 1.00 0.00 N ATOM 403 CA ARG A 605 0.585 -6.752 -0.495 1.00 0.00 C ATOM 404 C ARG A 605 1.620 -5.830 -1.144 1.00 0.00 C ATOM 405 O ARG A 605 1.855 -5.965 -2.337 1.00 0.00 O ATOM 406 CB ARG A 605 -0.747 -5.994 -0.284 1.00 0.00 C ATOM 407 CG ARG A 605 -2.030 -6.853 -0.184 1.00 0.00 C ATOM 408 CD ARG A 605 -2.322 -7.206 1.276 1.00 0.00 C ATOM 409 NE ARG A 605 -3.687 -7.637 1.560 1.00 0.00 N ATOM 410 CZ ARG A 605 -4.099 -8.408 2.579 1.00 0.00 C ATOM 411 NH1 ARG A 605 -3.274 -8.948 3.489 1.00 0.00 N ATOM 412 NH2 ARG A 605 -5.406 -8.621 2.697 1.00 0.00 N ATOM 0 H ARG A 605 0.583 -7.066 1.577 1.00 0.00 H new ATOM 0 HA ARG A 605 0.367 -7.592 -1.155 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.661 -5.404 0.628 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.872 -5.291 -1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.874 -6.309 -0.609 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.911 -7.765 -0.769 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.639 -7.998 1.583 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.099 -6.336 1.893 1.00 0.00 H new ATOM 0 HE ARG A 605 -4.408 -7.317 0.913 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -2.270 -8.781 3.429 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -3.651 -9.526 4.240 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -6.053 -8.205 2.027 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -5.762 -9.201 3.457 1.00 0.00 H new ATOM 426 N LEU A 606 2.251 -4.924 -0.384 1.00 0.00 N ATOM 427 CA LEU A 606 3.195 -3.943 -0.894 1.00 0.00 C ATOM 428 C LEU A 606 4.367 -4.662 -1.562 1.00 0.00 C ATOM 429 O LEU A 606 4.767 -4.260 -2.652 1.00 0.00 O ATOM 430 CB LEU A 606 3.688 -2.996 0.222 1.00 0.00 C ATOM 431 CG LEU A 606 2.629 -2.133 0.956 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.320 -1.115 1.867 1.00 0.00 C ATOM 433 CD2 LEU A 606 1.662 -1.418 0.009 1.00 0.00 C ATOM 0 H LEU A 606 2.110 -4.859 0.624 1.00 0.00 H new ATOM 0 HA LEU A 606 2.687 -3.324 -1.634 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.205 -3.598 0.969 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.427 -2.322 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 606 2.028 -2.821 1.550 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.568 -0.514 2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.927 -1.640 2.605 1.00 0.00 H new ATOM 0 HD13 LEU A 606 3.958 -0.465 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 606 0.949 -0.833 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.222 -0.756 -0.651 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.125 -2.155 -0.588 1.00 0.00 H new ATOM 445 N LEU A 607 4.877 -5.747 -0.953 1.00 0.00 N ATOM 446 CA LEU A 607 5.898 -6.557 -1.600 1.00 0.00 C ATOM 447 C LEU A 607 5.342 -7.200 -2.877 1.00 0.00 C ATOM 448 O LEU A 607 5.974 -7.124 -3.930 1.00 0.00 O ATOM 449 CB LEU A 607 6.522 -7.601 -0.643 1.00 0.00 C ATOM 450 CG LEU A 607 7.614 -8.453 -1.339 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.012 -7.995 -0.934 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.437 -9.946 -1.034 1.00 0.00 C ATOM 0 H LEU A 607 4.597 -6.072 -0.027 1.00 0.00 H new ATOM 0 HA LEU A 607 6.715 -5.894 -1.885 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.955 -7.090 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.739 -8.257 -0.263 1.00 0.00 H new ATOM 0 HG LEU A 607 7.501 -8.308 -2.413 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.757 -8.611 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.150 -6.952 -1.220 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.129 -8.094 0.145 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.219 -10.515 -1.537 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.505 -10.108 0.042 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.461 -10.277 -1.390 1.00 0.00 H new ATOM 464 N LEU A 608 4.176 -7.848 -2.796 1.00 0.00 N ATOM 465 CA LEU A 608 3.624 -8.637 -3.884 1.00 0.00 C ATOM 466 C LEU A 608 3.328 -7.768 -5.111 1.00 0.00 C ATOM 467 O LEU A 608 3.567 -8.213 -6.230 1.00 0.00 O ATOM 468 CB LEU A 608 2.376 -9.357 -3.349 1.00 0.00 C ATOM 469 CG LEU A 608 1.697 -10.286 -4.364 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.603 -11.452 -4.777 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.401 -10.844 -3.760 1.00 0.00 C ATOM 0 H LEU A 608 3.589 -7.835 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 608 4.346 -9.378 -4.226 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.656 -9.940 -2.472 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.654 -8.610 -3.019 1.00 0.00 H new ATOM 0 HG LEU A 608 1.482 -9.697 -5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.080 -12.082 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.514 -11.062 -5.231 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.860 -12.042 -3.897 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.082 -11.504 -4.481 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.633 -11.404 -2.854 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.270 -10.021 -3.516 1.00 0.00 H new ATOM 483 N GLU A 609 2.867 -6.530 -4.910 1.00 0.00 N ATOM 484 CA GLU A 609 2.690 -5.505 -5.932 1.00 0.00 C ATOM 485 C GLU A 609 4.000 -5.289 -6.696 1.00 0.00 C ATOM 486 O GLU A 609 3.989 -5.328 -7.925 1.00 0.00 O ATOM 487 CB GLU A 609 2.179 -4.206 -5.293 1.00 0.00 C ATOM 488 CG GLU A 609 0.775 -4.346 -4.670 1.00 0.00 C ATOM 489 CD GLU A 609 -0.353 -3.874 -5.587 1.00 0.00 C ATOM 490 OE1 GLU A 609 -0.685 -2.665 -5.531 1.00 0.00 O ATOM 491 OE2 GLU A 609 -0.921 -4.744 -6.291 1.00 0.00 O ATOM 0 H GLU A 609 2.595 -6.204 -3.983 1.00 0.00 H new ATOM 0 HA GLU A 609 1.941 -5.836 -6.651 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.881 -3.887 -4.523 1.00 0.00 H new ATOM 0 HB3 GLU A 609 2.157 -3.421 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.606 -5.390 -4.408 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.740 -3.775 -3.742 1.00 0.00 H new ATOM 498 N LEU A 610 5.145 -5.169 -6.009 1.00 0.00 N ATOM 499 CA LEU A 610 6.409 -5.018 -6.722 1.00 0.00 C ATOM 500 C LEU A 610 6.732 -6.254 -7.545 1.00 0.00 C ATOM 501 O LEU A 610 7.303 -6.116 -8.620 1.00 0.00 O ATOM 502 CB LEU A 610 7.589 -4.693 -5.795 1.00 0.00 C ATOM 503 CG LEU A 610 7.816 -3.192 -5.570 1.00 0.00 C ATOM 504 CD1 LEU A 610 6.828 -2.604 -4.567 1.00 0.00 C ATOM 505 CD2 LEU A 610 9.229 -2.986 -5.025 1.00 0.00 C ATOM 0 H LEU A 610 5.217 -5.174 -4.992 1.00 0.00 H new ATOM 0 HA LEU A 610 6.270 -4.166 -7.388 1.00 0.00 H new ATOM 0 HB2 LEU A 610 7.422 -5.173 -4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.496 -5.128 -6.214 1.00 0.00 H new ATOM 0 HG LEU A 610 7.674 -2.687 -6.526 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.028 -1.540 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 610 5.811 -2.741 -4.935 1.00 0.00 H new ATOM 0 HD13 LEU A 610 6.938 -3.110 -3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 610 9.404 -1.923 -4.860 1.00 0.00 H new ATOM 0 HD22 LEU A 610 9.337 -3.522 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 610 9.955 -3.366 -5.744 1.00 0.00 H new ATOM 517 N ILE A 611 6.362 -7.452 -7.086 1.00 0.00 N ATOM 518 CA ILE A 611 6.624 -8.654 -7.867 1.00 0.00 C ATOM 519 C ILE A 611 5.830 -8.570 -9.176 1.00 0.00 C ATOM 520 O ILE A 611 6.409 -8.790 -10.237 1.00 0.00 O ATOM 521 CB ILE A 611 6.379 -9.954 -7.066 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.224 -9.946 -5.773 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.774 -11.188 -7.903 1.00 0.00 C ATOM 524 CD1 ILE A 611 6.881 -11.059 -4.787 1.00 0.00 C ATOM 0 H ILE A 611 5.890 -7.611 -6.196 1.00 0.00 H new ATOM 0 HA ILE A 611 7.684 -8.702 -8.115 1.00 0.00 H new ATOM 0 HB ILE A 611 5.318 -10.005 -6.820 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.277 -10.027 -6.042 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.095 -8.985 -5.276 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.595 -12.093 -7.323 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.176 -11.216 -8.814 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.831 -11.128 -8.164 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.522 -10.978 -3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 611 5.838 -10.968 -4.484 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.038 -12.027 -5.262 1.00 0.00 H new ATOM 536 N LYS A 612 4.549 -8.177 -9.137 1.00 0.00 N ATOM 537 CA LYS A 612 3.719 -8.179 -10.345 1.00 0.00 C ATOM 538 C LYS A 612 4.136 -7.028 -11.258 1.00 0.00 C ATOM 539 O LYS A 612 4.143 -7.186 -12.477 1.00 0.00 O ATOM 540 CB LYS A 612 2.202 -8.161 -10.046 1.00 0.00 C ATOM 541 CG LYS A 612 1.761 -7.120 -9.007 1.00 0.00 C ATOM 542 CD LYS A 612 0.255 -6.872 -8.888 1.00 0.00 C ATOM 543 CE LYS A 612 -0.369 -7.729 -7.782 1.00 0.00 C ATOM 544 NZ LYS A 612 -1.614 -7.113 -7.282 1.00 0.00 N ATOM 0 H LYS A 612 4.072 -7.858 -8.294 1.00 0.00 H new ATOM 0 HA LYS A 612 3.893 -9.123 -10.862 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.665 -7.975 -10.976 1.00 0.00 H new ATOM 0 HB3 LYS A 612 1.903 -9.150 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 612 2.134 -7.432 -8.031 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.245 -6.173 -9.245 1.00 0.00 H new ATOM 0 HD2 LYS A 612 0.074 -5.818 -8.679 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.228 -7.095 -9.839 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.580 -8.728 -8.165 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.340 -7.845 -6.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -1.837 -7.496 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 -1.489 -6.083 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -2.394 -7.326 -7.937 1.00 0.00 H new ATOM 558 N GLU A 613 4.525 -5.889 -10.676 1.00 0.00 N ATOM 559 CA GLU A 613 4.866 -4.695 -11.430 1.00 0.00 C ATOM 560 C GLU A 613 6.309 -4.719 -11.956 1.00 0.00 C ATOM 561 O GLU A 613 6.692 -3.826 -12.708 1.00 0.00 O ATOM 562 CB GLU A 613 4.425 -3.437 -10.667 1.00 0.00 C ATOM 563 CG GLU A 613 5.487 -2.864 -9.736 1.00 0.00 C ATOM 564 CD GLU A 613 4.887 -1.886 -8.710 1.00 0.00 C ATOM 565 OE1 GLU A 613 4.213 -0.927 -9.149 1.00 0.00 O ATOM 566 OE2 GLU A 613 5.106 -2.092 -7.494 1.00 0.00 O ATOM 0 H GLU A 613 4.610 -5.777 -9.666 1.00 0.00 H new ATOM 0 HA GLU A 613 4.292 -4.670 -12.356 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.139 -2.671 -11.388 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.536 -3.674 -10.083 1.00 0.00 H new ATOM 0 HG2 GLU A 613 5.987 -3.678 -9.211 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.247 -2.350 -10.325 1.00 0.00 H new ATOM 573 N TYR A 614 7.075 -5.775 -11.636 1.00 0.00 N ATOM 574 CA TYR A 614 8.378 -6.055 -12.229 1.00 0.00 C ATOM 575 C TYR A 614 8.346 -7.323 -13.077 1.00 0.00 C ATOM 576 O TYR A 614 9.103 -7.415 -14.039 1.00 0.00 O ATOM 577 CB TYR A 614 9.469 -6.151 -11.155 1.00 0.00 C ATOM 578 CG TYR A 614 10.114 -4.818 -10.825 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.972 -4.219 -11.770 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.858 -4.168 -9.602 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.559 -2.971 -11.506 1.00 0.00 C ATOM 582 CE2 TYR A 614 10.444 -2.919 -9.329 1.00 0.00 C ATOM 583 CZ TYR A 614 11.291 -2.312 -10.284 1.00 0.00 C ATOM 584 OH TYR A 614 11.841 -1.095 -10.018 1.00 0.00 O ATOM 0 H TYR A 614 6.793 -6.468 -10.943 1.00 0.00 H new ATOM 0 HA TYR A 614 8.620 -5.219 -12.885 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.037 -6.571 -10.247 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.239 -6.845 -11.492 1.00 0.00 H new ATOM 0 HD1 TYR A 614 11.179 -4.723 -12.702 1.00 0.00 H new ATOM 0 HD2 TYR A 614 9.210 -4.630 -8.872 1.00 0.00 H new ATOM 0 HE1 TYR A 614 12.214 -2.516 -12.234 1.00 0.00 H new ATOM 0 HE2 TYR A 614 10.247 -2.424 -8.390 1.00 0.00 H new ATOM 0 HH TYR A 614 11.374 -0.683 -9.261 1.00 0.00 H new ATOM 594 N GLU A 615 7.448 -8.270 -12.789 1.00 0.00 N ATOM 595 CA GLU A 615 7.239 -9.436 -13.628 1.00 0.00 C ATOM 596 C GLU A 615 7.017 -9.021 -15.080 1.00 0.00 C ATOM 597 O GLU A 615 7.743 -9.476 -15.959 1.00 0.00 O ATOM 598 CB GLU A 615 6.099 -10.294 -13.067 1.00 0.00 C ATOM 599 CG GLU A 615 6.652 -11.378 -12.124 1.00 0.00 C ATOM 600 CD GLU A 615 5.570 -12.260 -11.498 1.00 0.00 C ATOM 601 OE1 GLU A 615 4.478 -11.740 -11.184 1.00 0.00 O ATOM 602 OE2 GLU A 615 5.867 -13.461 -11.300 1.00 0.00 O ATOM 0 H GLU A 615 6.848 -8.242 -11.964 1.00 0.00 H new ATOM 0 HA GLU A 615 8.135 -10.056 -13.619 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.392 -9.663 -12.529 1.00 0.00 H new ATOM 0 HB3 GLU A 615 5.551 -10.761 -13.885 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.347 -12.009 -12.678 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.222 -10.898 -11.329 1.00 0.00 H new ATOM 609 N ASP A 616 6.075 -8.119 -15.340 1.00 0.00 N ATOM 610 CA ASP A 616 5.688 -7.752 -16.703 1.00 0.00 C ATOM 611 C ASP A 616 6.852 -7.121 -17.470 1.00 0.00 C ATOM 612 O ASP A 616 6.991 -7.315 -18.676 1.00 0.00 O ATOM 613 CB ASP A 616 4.477 -6.813 -16.650 1.00 0.00 C ATOM 614 CG ASP A 616 3.879 -6.575 -18.038 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.404 -7.570 -18.630 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.854 -5.399 -18.462 1.00 0.00 O ATOM 0 H ASP A 616 5.558 -7.622 -14.615 1.00 0.00 H new ATOM 0 HA ASP A 616 5.413 -8.656 -17.246 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.716 -7.238 -15.995 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.776 -5.859 -16.215 1.00 0.00 H new ATOM 621 N ASP A 617 7.739 -6.442 -16.741 1.00 0.00 N ATOM 622 CA ASP A 617 8.928 -5.789 -17.265 1.00 0.00 C ATOM 623 C ASP A 617 9.985 -6.798 -17.687 1.00 0.00 C ATOM 624 O ASP A 617 10.605 -6.673 -18.742 1.00 0.00 O ATOM 625 CB ASP A 617 9.501 -4.913 -16.159 1.00 0.00 C ATOM 626 CG ASP A 617 10.697 -4.070 -16.603 1.00 0.00 C ATOM 627 OD1 ASP A 617 10.494 -3.178 -17.456 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.794 -4.314 -16.051 1.00 0.00 O ATOM 0 H ASP A 617 7.640 -6.331 -15.732 1.00 0.00 H new ATOM 0 HA ASP A 617 8.653 -5.206 -18.144 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.718 -4.251 -15.789 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.803 -5.547 -15.325 1.00 0.00 H new ATOM 633 N TYR A 618 10.180 -7.812 -16.840 1.00 0.00 N ATOM 634 CA TYR A 618 11.224 -8.809 -17.014 1.00 0.00 C ATOM 635 C TYR A 618 10.685 -10.046 -17.738 1.00 0.00 C ATOM 636 O TYR A 618 11.428 -11.003 -17.963 1.00 0.00 O ATOM 637 CB TYR A 618 11.829 -9.139 -15.647 1.00 0.00 C ATOM 638 CG TYR A 618 13.267 -8.696 -15.492 1.00 0.00 C ATOM 639 CD1 TYR A 618 13.557 -7.374 -15.101 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.312 -9.606 -15.735 1.00 0.00 C ATOM 641 CE1 TYR A 618 14.889 -6.978 -14.890 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.647 -9.213 -15.537 1.00 0.00 C ATOM 643 CZ TYR A 618 15.937 -7.906 -15.081 1.00 0.00 C ATOM 644 OH TYR A 618 17.215 -7.571 -14.750 1.00 0.00 O ATOM 0 H TYR A 618 9.609 -7.960 -16.008 1.00 0.00 H new ATOM 0 HA TYR A 618 12.017 -8.412 -17.648 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.227 -8.667 -14.870 1.00 0.00 H new ATOM 0 HB3 TYR A 618 11.771 -10.215 -15.485 1.00 0.00 H new ATOM 0 HD1 TYR A 618 12.755 -6.664 -14.963 1.00 0.00 H new ATOM 0 HD2 TYR A 618 14.088 -10.607 -16.074 1.00 0.00 H new ATOM 0 HE1 TYR A 618 15.111 -5.967 -14.583 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.450 -9.908 -15.733 1.00 0.00 H new ATOM 0 HH TYR A 618 17.634 -8.315 -14.269 1.00 0.00 H new ATOM 654 N GLY A 619 9.394 -10.035 -18.092 1.00 0.00 N ATOM 655 CA GLY A 619 8.765 -11.153 -18.800 1.00 0.00 C ATOM 656 C GLY A 619 8.521 -12.349 -17.877 1.00 0.00 C ATOM 657 O GLY A 619 8.640 -13.512 -18.275 1.00 0.00 O ATOM 0 H GLY A 619 8.762 -9.258 -17.897 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.817 -10.825 -19.227 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.400 -11.460 -19.631 1.00 0.00 H new ATOM 661 N GLY A 620 8.204 -12.042 -16.624 1.00 0.00 N ATOM 662 CA GLY A 620 7.773 -12.927 -15.566 1.00 0.00 C ATOM 663 C GLY A 620 8.906 -13.254 -14.600 1.00 0.00 C ATOM 664 O GLY A 620 9.100 -14.428 -14.286 1.00 0.00 O ATOM 0 H GLY A 620 8.249 -11.076 -16.301 1.00 0.00 H new ATOM 0 HA2 GLY A 620 6.951 -12.465 -15.019 1.00 0.00 H new ATOM 0 HA3 GLY A 620 7.388 -13.850 -15.999 1.00 0.00 H new ATOM 668 N ARG A 621 9.696 -12.257 -14.186 1.00 0.00 N ATOM 669 CA ARG A 621 10.706 -12.371 -13.127 1.00 0.00 C ATOM 670 C ARG A 621 10.684 -11.031 -12.389 1.00 0.00 C ATOM 671 O ARG A 621 10.379 -10.028 -13.024 1.00 0.00 O ATOM 672 CB ARG A 621 12.140 -12.598 -13.672 1.00 0.00 C ATOM 673 CG ARG A 621 12.336 -13.430 -14.950 1.00 0.00 C ATOM 674 CD ARG A 621 12.237 -14.953 -14.761 1.00 0.00 C ATOM 675 NE ARG A 621 12.301 -15.641 -16.067 1.00 0.00 N ATOM 676 CZ ARG A 621 11.349 -15.599 -17.014 1.00 0.00 C ATOM 677 NH1 ARG A 621 10.117 -15.200 -16.721 1.00 0.00 N ATOM 678 NH2 ARG A 621 11.633 -15.941 -18.270 1.00 0.00 N ATOM 0 H ARG A 621 9.649 -11.322 -14.590 1.00 0.00 H new ATOM 0 HA ARG A 621 10.470 -13.230 -12.499 1.00 0.00 H new ATOM 0 HB2 ARG A 621 12.583 -11.618 -13.848 1.00 0.00 H new ATOM 0 HB3 ARG A 621 12.720 -13.072 -12.880 1.00 0.00 H new ATOM 0 HG2 ARG A 621 11.591 -13.122 -15.683 1.00 0.00 H new ATOM 0 HG3 ARG A 621 13.313 -13.195 -15.371 1.00 0.00 H new ATOM 0 HD2 ARG A 621 13.048 -15.300 -14.120 1.00 0.00 H new ATOM 0 HD3 ARG A 621 11.304 -15.203 -14.257 1.00 0.00 H new ATOM 0 HE ARG A 621 13.136 -16.193 -16.266 1.00 0.00 H new ATOM 0 HH11 ARG A 621 9.884 -14.921 -15.768 1.00 0.00 H new ATOM 0 HH12 ARG A 621 9.403 -15.173 -17.449 1.00 0.00 H new ATOM 0 HH21 ARG A 621 12.577 -16.237 -18.517 1.00 0.00 H new ATOM 0 HH22 ARG A 621 10.906 -15.907 -18.985 1.00 0.00 H new ATOM 692 N ALA A 622 11.071 -10.964 -11.117 1.00 0.00 N ATOM 693 CA ALA A 622 11.176 -9.694 -10.404 1.00 0.00 C ATOM 694 C ALA A 622 12.476 -9.680 -9.590 1.00 0.00 C ATOM 695 O ALA A 622 12.594 -10.484 -8.668 1.00 0.00 O ATOM 696 CB ALA A 622 9.932 -9.492 -9.539 1.00 0.00 C ATOM 0 H ALA A 622 11.318 -11.780 -10.557 1.00 0.00 H new ATOM 0 HA ALA A 622 11.220 -8.858 -11.102 1.00 0.00 H new ATOM 0 HB1 ALA A 622 10.009 -8.544 -9.006 1.00 0.00 H new ATOM 0 HB2 ALA A 622 9.046 -9.480 -10.173 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.853 -10.307 -8.820 1.00 0.00 H new ATOM 702 N PRO A 623 13.476 -8.842 -9.929 1.00 0.00 N ATOM 703 CA PRO A 623 14.790 -8.872 -9.296 1.00 0.00 C ATOM 704 C PRO A 623 14.685 -8.545 -7.803 1.00 0.00 C ATOM 705 O PRO A 623 14.307 -7.435 -7.421 1.00 0.00 O ATOM 706 CB PRO A 623 15.668 -7.885 -10.068 1.00 0.00 C ATOM 707 CG PRO A 623 14.674 -6.961 -10.769 1.00 0.00 C ATOM 708 CD PRO A 623 13.416 -7.799 -10.939 1.00 0.00 C ATOM 0 HA PRO A 623 15.237 -9.865 -9.337 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.324 -7.329 -9.398 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.307 -8.399 -10.786 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.477 -6.068 -10.175 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.058 -6.625 -11.732 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.523 -7.188 -10.813 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.369 -8.230 -11.939 1.00 0.00 H new ATOM 716 N THR A 624 15.018 -9.520 -6.955 1.00 0.00 N ATOM 717 CA THR A 624 14.751 -9.513 -5.527 1.00 0.00 C ATOM 718 C THR A 624 15.490 -8.354 -4.866 1.00 0.00 C ATOM 719 O THR A 624 14.946 -7.693 -3.984 1.00 0.00 O ATOM 720 CB THR A 624 15.179 -10.872 -4.927 1.00 0.00 C ATOM 721 OG1 THR A 624 14.737 -11.935 -5.748 1.00 0.00 O ATOM 722 CG2 THR A 624 14.606 -11.059 -3.525 1.00 0.00 C ATOM 0 H THR A 624 15.499 -10.365 -7.262 1.00 0.00 H new ATOM 0 HA THR A 624 13.685 -9.373 -5.345 1.00 0.00 H new ATOM 0 HB THR A 624 16.268 -10.877 -4.871 1.00 0.00 H new ATOM 0 HG1 THR A 624 15.094 -12.782 -5.407 1.00 0.00 H new ATOM 0 HG21 THR A 624 14.923 -12.023 -3.128 1.00 0.00 H new ATOM 0 HG22 THR A 624 14.967 -10.262 -2.875 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.517 -11.025 -3.569 1.00 0.00 H new ATOM 730 N ASN A 625 16.710 -8.057 -5.329 1.00 0.00 N ATOM 731 CA ASN A 625 17.458 -6.936 -4.792 1.00 0.00 C ATOM 732 C ASN A 625 16.742 -5.614 -5.068 1.00 0.00 C ATOM 733 O ASN A 625 16.718 -4.754 -4.191 1.00 0.00 O ATOM 734 CB ASN A 625 18.892 -6.912 -5.334 1.00 0.00 C ATOM 735 CG ASN A 625 19.693 -8.105 -4.828 1.00 0.00 C ATOM 736 OD1 ASN A 625 19.849 -9.094 -5.533 1.00 0.00 O ATOM 737 ND2 ASN A 625 20.180 -8.051 -3.594 1.00 0.00 N ATOM 0 H ASN A 625 17.188 -8.576 -6.066 1.00 0.00 H new ATOM 0 HA ASN A 625 17.516 -7.065 -3.711 1.00 0.00 H new ATOM 0 HB2 ASN A 625 18.872 -6.920 -6.424 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.382 -5.987 -5.031 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.697 -8.844 -3.215 1.00 0.00 H new ATOM 0 HD22 ASN A 625 20.037 -7.216 -3.026 1.00 0.00 H new ATOM 744 N ILE A 626 16.128 -5.459 -6.251 1.00 0.00 N ATOM 745 CA ILE A 626 15.403 -4.242 -6.584 1.00 0.00 C ATOM 746 C ILE A 626 14.146 -4.173 -5.723 1.00 0.00 C ATOM 747 O ILE A 626 13.919 -3.124 -5.135 1.00 0.00 O ATOM 748 CB ILE A 626 15.098 -4.163 -8.092 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.367 -4.277 -8.971 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.322 -2.888 -8.448 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.442 -3.210 -8.727 1.00 0.00 C ATOM 0 H ILE A 626 16.124 -6.166 -6.987 1.00 0.00 H new ATOM 0 HA ILE A 626 16.020 -3.371 -6.365 1.00 0.00 H new ATOM 0 HB ILE A 626 14.471 -5.027 -8.311 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.812 -5.259 -8.809 1.00 0.00 H new ATOM 0 HG13 ILE A 626 16.067 -4.232 -10.018 1.00 0.00 H new ATOM 0 HG21 ILE A 626 14.126 -2.869 -9.520 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.376 -2.874 -7.906 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.912 -2.014 -8.171 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.286 -3.384 -9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 626 17.024 -2.222 -8.920 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.781 -3.265 -7.692 1.00 0.00 H new ATOM 763 N LEU A 627 13.383 -5.271 -5.578 1.00 0.00 N ATOM 764 CA LEU A 627 12.244 -5.330 -4.653 1.00 0.00 C ATOM 765 C LEU A 627 12.637 -4.791 -3.281 1.00 0.00 C ATOM 766 O LEU A 627 11.933 -3.942 -2.743 1.00 0.00 O ATOM 767 CB LEU A 627 11.740 -6.778 -4.475 1.00 0.00 C ATOM 768 CG LEU A 627 10.693 -7.228 -5.505 1.00 0.00 C ATOM 769 CD1 LEU A 627 11.127 -8.477 -6.272 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.367 -7.472 -4.796 1.00 0.00 C ATOM 0 H LEU A 627 13.539 -6.135 -6.096 1.00 0.00 H new ATOM 0 HA LEU A 627 11.451 -4.719 -5.085 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.594 -7.454 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.314 -6.879 -3.477 1.00 0.00 H new ATOM 0 HG LEU A 627 10.583 -6.433 -6.242 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.352 -8.753 -6.987 1.00 0.00 H new ATOM 0 HD12 LEU A 627 12.056 -8.272 -6.805 1.00 0.00 H new ATOM 0 HD13 LEU A 627 11.284 -9.298 -5.572 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.620 -7.792 -5.522 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.495 -8.248 -4.042 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.036 -6.551 -4.316 1.00 0.00 H new ATOM 782 N ILE A 628 13.749 -5.282 -2.727 1.00 0.00 N ATOM 783 CA ILE A 628 14.243 -4.868 -1.420 1.00 0.00 C ATOM 784 C ILE A 628 14.517 -3.358 -1.438 1.00 0.00 C ATOM 785 O ILE A 628 13.869 -2.625 -0.688 1.00 0.00 O ATOM 786 CB ILE A 628 15.444 -5.749 -1.001 1.00 0.00 C ATOM 787 CG1 ILE A 628 14.996 -7.217 -0.781 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.078 -5.249 0.304 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.163 -8.211 -0.790 1.00 0.00 C ATOM 0 H ILE A 628 14.334 -5.984 -3.181 1.00 0.00 H new ATOM 0 HA ILE A 628 13.494 -5.027 -0.644 1.00 0.00 H new ATOM 0 HB ILE A 628 16.174 -5.691 -1.809 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.471 -7.291 0.171 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.285 -7.494 -1.559 1.00 0.00 H new ATOM 0 HG21 ILE A 628 16.918 -5.890 0.569 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.430 -4.226 0.169 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.336 -5.275 1.102 1.00 0.00 H new ATOM 0 HD11 ILE A 628 15.783 -9.220 -0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.674 -8.163 -1.751 1.00 0.00 H new ATOM 0 HD13 ILE A 628 16.863 -7.957 0.006 1.00 0.00 H new ATOM 801 N THR A 629 15.433 -2.891 -2.298 1.00 0.00 N ATOM 802 CA THR A 629 15.826 -1.485 -2.388 1.00 0.00 C ATOM 803 C THR A 629 14.607 -0.571 -2.574 1.00 0.00 C ATOM 804 O THR A 629 14.443 0.394 -1.829 1.00 0.00 O ATOM 805 CB THR A 629 16.861 -1.317 -3.515 1.00 0.00 C ATOM 806 OG1 THR A 629 17.987 -2.129 -3.247 1.00 0.00 O ATOM 807 CG2 THR A 629 17.355 0.124 -3.665 1.00 0.00 C ATOM 0 H THR A 629 15.927 -3.491 -2.959 1.00 0.00 H new ATOM 0 HA THR A 629 16.289 -1.181 -1.449 1.00 0.00 H new ATOM 0 HB THR A 629 16.360 -1.606 -4.439 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.797 -3.052 -3.517 1.00 0.00 H new ATOM 0 HG21 THR A 629 18.082 0.177 -4.475 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.511 0.776 -3.891 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.824 0.447 -2.735 1.00 0.00 H new ATOM 815 N GLU A 630 13.734 -0.890 -3.531 1.00 0.00 N ATOM 816 CA GLU A 630 12.538 -0.123 -3.839 1.00 0.00 C ATOM 817 C GLU A 630 11.589 -0.105 -2.640 1.00 0.00 C ATOM 818 O GLU A 630 11.080 0.960 -2.288 1.00 0.00 O ATOM 819 CB GLU A 630 11.855 -0.732 -5.075 1.00 0.00 C ATOM 820 CG GLU A 630 12.596 -0.470 -6.394 1.00 0.00 C ATOM 821 CD GLU A 630 12.647 1.016 -6.737 1.00 0.00 C ATOM 822 OE1 GLU A 630 11.630 1.555 -7.222 1.00 0.00 O ATOM 823 OE2 GLU A 630 13.678 1.660 -6.443 1.00 0.00 O ATOM 0 H GLU A 630 13.847 -1.711 -4.125 1.00 0.00 H new ATOM 0 HA GLU A 630 12.812 0.909 -4.057 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.761 -1.808 -4.931 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.844 -0.331 -5.153 1.00 0.00 H new ATOM 0 HG2 GLU A 630 13.611 -0.860 -6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 630 12.102 -1.011 -7.201 1.00 0.00 H new ATOM 830 N MET A 631 11.385 -1.242 -1.962 1.00 0.00 N ATOM 831 CA MET A 631 10.578 -1.283 -0.747 1.00 0.00 C ATOM 832 C MET A 631 11.138 -0.326 0.315 1.00 0.00 C ATOM 833 O MET A 631 10.336 0.382 0.929 1.00 0.00 O ATOM 834 CB MET A 631 10.471 -2.711 -0.197 1.00 0.00 C ATOM 835 CG MET A 631 9.458 -3.602 -0.929 1.00 0.00 C ATOM 836 SD MET A 631 7.722 -3.327 -0.487 1.00 0.00 S ATOM 837 CE MET A 631 7.669 -4.198 1.093 1.00 0.00 C ATOM 0 H MET A 631 11.771 -2.145 -2.239 1.00 0.00 H new ATOM 0 HA MET A 631 9.572 -0.952 -1.005 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.453 -3.181 -0.249 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.197 -2.661 0.857 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.571 -3.447 -2.002 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.706 -4.645 -0.730 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.698 -4.041 1.562 1.00 0.00 H new ATOM 0 HE2 MET A 631 7.824 -5.264 0.926 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.453 -3.815 1.746 1.00 0.00 H new ATOM 847 N MET A 632 12.468 -0.235 0.514 1.00 0.00 N ATOM 848 CA MET A 632 13.027 0.708 1.496 1.00 0.00 C ATOM 849 C MET A 632 12.789 2.165 1.102 1.00 0.00 C ATOM 850 O MET A 632 12.800 3.033 1.979 1.00 0.00 O ATOM 851 CB MET A 632 14.536 0.521 1.771 1.00 0.00 C ATOM 852 CG MET A 632 15.149 -0.814 1.344 1.00 0.00 C ATOM 853 SD MET A 632 16.922 -1.023 1.646 1.00 0.00 S ATOM 854 CE MET A 632 16.937 -0.796 3.433 1.00 0.00 C ATOM 0 H MET A 632 13.162 -0.793 0.017 1.00 0.00 H new ATOM 0 HA MET A 632 12.486 0.473 2.413 1.00 0.00 H new ATOM 0 HB2 MET A 632 15.076 1.321 1.265 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.706 0.648 2.840 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.618 -1.614 1.861 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.967 -0.948 0.278 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.668 -1.470 3.879 1.00 0.00 H new ATOM 0 HE2 MET A 632 17.204 0.235 3.667 1.00 0.00 H new ATOM 0 HE3 MET A 632 15.948 -1.015 3.836 1.00 0.00 H new ATOM 864 N ASP A 633 12.567 2.435 -0.187 1.00 0.00 N ATOM 865 CA ASP A 633 12.609 3.782 -0.738 1.00 0.00 C ATOM 866 C ASP A 633 11.212 4.304 -1.050 1.00 0.00 C ATOM 867 O ASP A 633 11.005 5.512 -1.142 1.00 0.00 O ATOM 868 CB ASP A 633 13.484 3.748 -2.001 1.00 0.00 C ATOM 869 CG ASP A 633 14.100 5.112 -2.346 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.639 5.758 -1.424 1.00 0.00 O ATOM 871 OD2 ASP A 633 14.047 5.488 -3.545 1.00 0.00 O ATOM 0 H ASP A 633 12.352 1.716 -0.878 1.00 0.00 H new ATOM 0 HA ASP A 633 13.035 4.466 -0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 633 14.283 3.020 -1.862 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.883 3.405 -2.843 1.00 0.00 H new ATOM 876 N ARG A 634 10.242 3.392 -1.204 1.00 0.00 N ATOM 877 CA ARG A 634 8.899 3.714 -1.681 1.00 0.00 C ATOM 878 C ARG A 634 7.813 3.189 -0.755 1.00 0.00 C ATOM 879 O ARG A 634 6.707 3.724 -0.786 1.00 0.00 O ATOM 880 CB ARG A 634 8.727 3.229 -3.135 1.00 0.00 C ATOM 881 CG ARG A 634 9.822 3.878 -3.989 1.00 0.00 C ATOM 882 CD ARG A 634 9.693 3.828 -5.517 1.00 0.00 C ATOM 883 NE ARG A 634 11.023 3.931 -6.154 1.00 0.00 N ATOM 884 CZ ARG A 634 12.061 4.652 -5.700 1.00 0.00 C ATOM 885 NH1 ARG A 634 11.892 5.803 -5.053 1.00 0.00 N ATOM 886 NH2 ARG A 634 13.303 4.200 -5.793 1.00 0.00 N ATOM 0 H ARG A 634 10.374 2.402 -0.998 1.00 0.00 H new ATOM 0 HA ARG A 634 8.784 4.798 -1.672 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.800 2.143 -3.184 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.741 3.500 -3.512 1.00 0.00 H new ATOM 0 HG2 ARG A 634 9.890 4.926 -3.697 1.00 0.00 H new ATOM 0 HG3 ARG A 634 10.770 3.410 -3.722 1.00 0.00 H new ATOM 0 HD2 ARG A 634 9.211 2.897 -5.817 1.00 0.00 H new ATOM 0 HD3 ARG A 634 9.055 4.642 -5.861 1.00 0.00 H new ATOM 0 HE ARG A 634 11.165 3.407 -7.017 1.00 0.00 H new ATOM 0 HH11 ARG A 634 10.952 6.162 -4.889 1.00 0.00 H new ATOM 0 HH12 ARG A 634 12.703 6.326 -4.721 1.00 0.00 H new ATOM 0 HH21 ARG A 634 13.484 3.289 -6.215 1.00 0.00 H new ATOM 0 HH22 ARG A 634 14.078 4.763 -5.442 1.00 0.00 H new ATOM 900 N TYR A 635 8.125 2.226 0.123 1.00 0.00 N ATOM 901 CA TYR A 635 7.207 1.770 1.161 1.00 0.00 C ATOM 902 C TYR A 635 7.866 1.751 2.548 1.00 0.00 C ATOM 903 O TYR A 635 7.248 1.259 3.496 1.00 0.00 O ATOM 904 CB TYR A 635 6.618 0.415 0.737 1.00 0.00 C ATOM 905 CG TYR A 635 5.664 0.482 -0.456 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.593 1.403 -0.472 1.00 0.00 C ATOM 907 CD2 TYR A 635 5.816 -0.402 -1.542 1.00 0.00 C ATOM 908 CE1 TYR A 635 3.683 1.430 -1.544 1.00 0.00 C ATOM 909 CE2 TYR A 635 4.892 -0.400 -2.603 1.00 0.00 C ATOM 910 CZ TYR A 635 3.824 0.521 -2.614 1.00 0.00 C ATOM 911 OH TYR A 635 2.923 0.524 -3.638 1.00 0.00 O ATOM 0 H TYR A 635 9.024 1.744 0.129 1.00 0.00 H new ATOM 0 HA TYR A 635 6.385 2.478 1.264 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.437 -0.262 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.088 -0.018 1.586 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.472 2.095 0.349 1.00 0.00 H new ATOM 0 HD2 TYR A 635 6.650 -1.088 -1.560 1.00 0.00 H new ATOM 0 HE1 TYR A 635 2.876 2.147 -1.548 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.001 -1.107 -3.412 1.00 0.00 H new ATOM 0 HH TYR A 635 3.168 -0.164 -4.292 1.00 0.00 H new ATOM 921 N ASN A 636 9.087 2.301 2.645 1.00 0.00 N ATOM 922 CA ASN A 636 10.040 2.291 3.747 1.00 0.00 C ATOM 923 C ASN A 636 9.939 1.075 4.666 1.00 0.00 C ATOM 924 O ASN A 636 9.275 1.067 5.702 1.00 0.00 O ATOM 925 CB ASN A 636 10.058 3.618 4.499 1.00 0.00 C ATOM 926 CG ASN A 636 11.341 3.779 5.311 1.00 0.00 C ATOM 927 OD1 ASN A 636 11.303 3.933 6.524 1.00 0.00 O ATOM 928 ND2 ASN A 636 12.503 3.759 4.666 1.00 0.00 N ATOM 0 H ASN A 636 9.466 2.823 1.855 1.00 0.00 H new ATOM 0 HA ASN A 636 11.018 2.179 3.280 1.00 0.00 H new ATOM 0 HB2 ASN A 636 9.968 4.441 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.196 3.674 5.163 1.00 0.00 H new ATOM 0 HD21 ASN A 636 13.375 3.873 5.183 1.00 0.00 H new ATOM 0 HD22 ASN A 636 12.523 3.630 3.654 1.00 0.00 H new ATOM 935 N VAL A 637 10.642 0.033 4.239 1.00 0.00 N ATOM 936 CA VAL A 637 10.796 -1.254 4.894 1.00 0.00 C ATOM 937 C VAL A 637 12.294 -1.585 4.847 1.00 0.00 C ATOM 938 O VAL A 637 12.890 -1.543 3.771 1.00 0.00 O ATOM 939 CB VAL A 637 9.926 -2.270 4.126 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.917 -3.639 4.793 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.463 -1.832 4.046 1.00 0.00 C ATOM 0 H VAL A 637 11.157 0.072 3.359 1.00 0.00 H new ATOM 0 HA VAL A 637 10.471 -1.267 5.934 1.00 0.00 H new ATOM 0 HB VAL A 637 10.374 -2.322 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 637 9.291 -4.321 4.217 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.934 -4.029 4.837 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.519 -3.549 5.804 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.889 -2.578 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 637 8.058 -1.732 5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.398 -0.873 3.532 1.00 0.00 H new ATOM 951 N SER A 638 12.918 -1.869 5.998 1.00 0.00 N ATOM 952 CA SER A 638 14.322 -2.244 6.108 1.00 0.00 C ATOM 953 C SER A 638 14.558 -3.537 5.333 1.00 0.00 C ATOM 954 O SER A 638 13.638 -4.339 5.214 1.00 0.00 O ATOM 955 CB SER A 638 14.672 -2.455 7.589 1.00 0.00 C ATOM 956 OG SER A 638 14.121 -1.428 8.392 1.00 0.00 O ATOM 0 H SER A 638 12.441 -1.842 6.899 1.00 0.00 H new ATOM 0 HA SER A 638 14.952 -1.456 5.696 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.296 -3.423 7.921 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.755 -2.475 7.711 1.00 0.00 H new ATOM 0 HG SER A 638 14.356 -1.585 9.330 1.00 0.00 H new ATOM 962 N GLU A 639 15.789 -3.792 4.880 1.00 0.00 N ATOM 963 CA GLU A 639 16.117 -4.973 4.087 1.00 0.00 C ATOM 964 C GLU A 639 15.668 -6.253 4.797 1.00 0.00 C ATOM 965 O GLU A 639 15.008 -7.087 4.183 1.00 0.00 O ATOM 966 CB GLU A 639 17.618 -4.961 3.749 1.00 0.00 C ATOM 967 CG GLU A 639 18.133 -6.302 3.207 1.00 0.00 C ATOM 968 CD GLU A 639 19.489 -6.144 2.513 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.482 -5.932 3.244 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.512 -6.225 1.264 1.00 0.00 O ATOM 0 H GLU A 639 16.587 -3.181 5.055 1.00 0.00 H new ATOM 0 HA GLU A 639 15.569 -4.950 3.145 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.810 -4.182 3.011 1.00 0.00 H new ATOM 0 HB3 GLU A 639 18.182 -4.699 4.644 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.223 -7.016 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.409 -6.713 2.504 1.00 0.00 H new ATOM 977 N GLU A 640 15.924 -6.339 6.106 1.00 0.00 N ATOM 978 CA GLU A 640 15.451 -7.401 6.994 1.00 0.00 C ATOM 979 C GLU A 640 13.930 -7.529 6.890 1.00 0.00 C ATOM 980 O GLU A 640 13.379 -8.606 6.651 1.00 0.00 O ATOM 981 CB GLU A 640 15.918 -7.069 8.408 1.00 0.00 C ATOM 982 CG GLU A 640 15.193 -7.925 9.459 1.00 0.00 C ATOM 983 CD GLU A 640 14.002 -7.218 10.141 1.00 0.00 C ATOM 984 OE1 GLU A 640 14.019 -5.970 10.237 1.00 0.00 O ATOM 985 OE2 GLU A 640 13.044 -7.922 10.541 1.00 0.00 O ATOM 0 H GLU A 640 16.488 -5.643 6.593 1.00 0.00 H new ATOM 0 HA GLU A 640 15.862 -8.370 6.710 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.993 -7.232 8.484 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.740 -6.013 8.612 1.00 0.00 H new ATOM 0 HG2 GLU A 640 14.835 -8.838 8.983 1.00 0.00 H new ATOM 0 HG3 GLU A 640 15.909 -8.224 10.224 1.00 0.00 H new ATOM 992 N LYS A 641 13.261 -6.393 7.080 1.00 0.00 N ATOM 993 CA LYS A 641 11.825 -6.301 7.191 1.00 0.00 C ATOM 994 C LYS A 641 11.127 -6.554 5.852 1.00 0.00 C ATOM 995 O LYS A 641 9.926 -6.797 5.862 1.00 0.00 O ATOM 996 CB LYS A 641 11.471 -4.928 7.805 1.00 0.00 C ATOM 997 CG LYS A 641 10.266 -4.770 8.724 1.00 0.00 C ATOM 998 CD LYS A 641 10.497 -5.493 10.042 1.00 0.00 C ATOM 999 CE LYS A 641 9.953 -6.896 9.858 1.00 0.00 C ATOM 1000 NZ LYS A 641 10.392 -7.844 10.899 1.00 0.00 N ATOM 0 H LYS A 641 13.727 -5.489 7.162 1.00 0.00 H new ATOM 0 HA LYS A 641 11.456 -7.086 7.851 1.00 0.00 H new ATOM 0 HB2 LYS A 641 12.345 -4.592 8.363 1.00 0.00 H new ATOM 0 HB3 LYS A 641 11.335 -4.233 6.977 1.00 0.00 H new ATOM 0 HG2 LYS A 641 10.081 -3.712 8.911 1.00 0.00 H new ATOM 0 HG3 LYS A 641 9.376 -5.168 8.236 1.00 0.00 H new ATOM 0 HD2 LYS A 641 11.558 -5.517 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 641 9.988 -4.983 10.860 1.00 0.00 H new ATOM 0 HE2 LYS A 641 8.864 -6.856 9.852 1.00 0.00 H new ATOM 0 HE3 LYS A 641 10.264 -7.271 8.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 9.831 -8.717 10.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 11.398 -8.068 10.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 10.256 -7.417 11.837 1.00 0.00 H new ATOM 1014 N VAL A 642 11.849 -6.501 4.724 1.00 0.00 N ATOM 1015 CA VAL A 642 11.390 -6.980 3.419 1.00 0.00 C ATOM 1016 C VAL A 642 11.703 -8.463 3.283 1.00 0.00 C ATOM 1017 O VAL A 642 10.837 -9.207 2.833 1.00 0.00 O ATOM 1018 CB VAL A 642 12.046 -6.217 2.238 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.383 -6.627 0.916 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.921 -4.695 2.295 1.00 0.00 C ATOM 0 H VAL A 642 12.792 -6.113 4.697 1.00 0.00 H new ATOM 0 HA VAL A 642 10.316 -6.803 3.372 1.00 0.00 H new ATOM 0 HB VAL A 642 13.100 -6.484 2.309 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.849 -6.087 0.092 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.508 -7.699 0.764 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.320 -6.387 0.952 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.411 -4.257 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.867 -4.416 2.296 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.395 -4.325 3.204 1.00 0.00 H new ATOM 1030 N GLU A 643 12.911 -8.904 3.647 1.00 0.00 N ATOM 1031 CA GLU A 643 13.338 -10.288 3.475 1.00 0.00 C ATOM 1032 C GLU A 643 12.350 -11.240 4.133 1.00 0.00 C ATOM 1033 O GLU A 643 11.976 -12.242 3.531 1.00 0.00 O ATOM 1034 CB GLU A 643 14.770 -10.474 4.000 1.00 0.00 C ATOM 1035 CG GLU A 643 15.680 -11.149 2.959 1.00 0.00 C ATOM 1036 CD GLU A 643 15.549 -12.681 2.913 1.00 0.00 C ATOM 1037 OE1 GLU A 643 15.082 -13.296 3.901 1.00 0.00 O ATOM 1038 OE2 GLU A 643 15.941 -13.287 1.892 1.00 0.00 O ATOM 0 H GLU A 643 13.620 -8.305 4.071 1.00 0.00 H new ATOM 0 HA GLU A 643 13.350 -10.529 2.412 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.186 -9.504 4.271 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.748 -11.076 4.908 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.449 -10.745 1.973 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.716 -10.890 3.175 1.00 0.00 H new ATOM 1045 N GLU A 644 11.829 -10.873 5.307 1.00 0.00 N ATOM 1046 CA GLU A 644 10.797 -11.676 5.956 1.00 0.00 C ATOM 1047 C GLU A 644 9.570 -11.847 5.053 1.00 0.00 C ATOM 1048 O GLU A 644 9.068 -12.960 4.926 1.00 0.00 O ATOM 1049 CB GLU A 644 10.436 -11.155 7.355 1.00 0.00 C ATOM 1050 CG GLU A 644 9.298 -10.120 7.393 1.00 0.00 C ATOM 1051 CD GLU A 644 8.877 -9.686 8.799 1.00 0.00 C ATOM 1052 OE1 GLU A 644 9.511 -10.104 9.796 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.958 -8.844 8.886 1.00 0.00 O ATOM 0 H GLU A 644 12.103 -10.035 5.820 1.00 0.00 H new ATOM 0 HA GLU A 644 11.217 -12.670 6.113 1.00 0.00 H new ATOM 0 HB2 GLU A 644 10.156 -12.003 7.980 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.326 -10.710 7.801 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.608 -9.238 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.430 -10.535 6.880 1.00 0.00 H new ATOM 1060 N LEU A 645 9.122 -10.772 4.389 1.00 0.00 N ATOM 1061 CA LEU A 645 7.977 -10.768 3.479 1.00 0.00 C ATOM 1062 C LEU A 645 8.244 -11.779 2.375 1.00 0.00 C ATOM 1063 O LEU A 645 7.398 -12.617 2.059 1.00 0.00 O ATOM 1064 CB LEU A 645 7.676 -9.375 2.894 1.00 0.00 C ATOM 1065 CG LEU A 645 7.705 -8.228 3.917 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.577 -6.888 3.191 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.621 -8.329 4.995 1.00 0.00 C ATOM 0 H LEU A 645 9.562 -9.856 4.476 1.00 0.00 H new ATOM 0 HA LEU A 645 7.086 -11.044 4.043 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.401 -9.161 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.693 -9.399 2.423 1.00 0.00 H new ATOM 0 HG LEU A 645 8.662 -8.304 4.433 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.598 -6.077 3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.406 -6.771 2.494 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.635 -6.860 2.643 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.707 -7.484 5.678 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.638 -8.316 4.525 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.745 -9.259 5.550 1.00 0.00 H new ATOM 1079 N ILE A 646 9.462 -11.711 1.837 1.00 0.00 N ATOM 1080 CA ILE A 646 9.943 -12.602 0.803 1.00 0.00 C ATOM 1081 C ILE A 646 9.874 -14.043 1.322 1.00 0.00 C ATOM 1082 O ILE A 646 9.368 -14.903 0.608 1.00 0.00 O ATOM 1083 CB ILE A 646 11.345 -12.160 0.306 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.277 -10.705 -0.215 1.00 0.00 C ATOM 1085 CG2 ILE A 646 11.839 -13.123 -0.784 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.617 -10.071 -0.595 1.00 0.00 C ATOM 0 H ILE A 646 10.151 -11.015 2.121 1.00 0.00 H new ATOM 0 HA ILE A 646 9.308 -12.554 -0.082 1.00 0.00 H new ATOM 0 HB ILE A 646 12.056 -12.193 1.131 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.625 -10.682 -1.088 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.808 -10.087 0.550 1.00 0.00 H new ATOM 0 HG21 ILE A 646 12.824 -12.808 -1.129 1.00 0.00 H new ATOM 0 HG22 ILE A 646 11.903 -14.132 -0.376 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.141 -13.114 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.451 -9.053 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.271 -10.052 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.085 -10.656 -1.387 1.00 0.00 H new ATOM 1098 N ARG A 647 10.319 -14.333 2.554 1.00 0.00 N ATOM 1099 CA ARG A 647 10.327 -15.727 3.023 1.00 0.00 C ATOM 1100 C ARG A 647 8.904 -16.198 3.256 1.00 0.00 C ATOM 1101 O ARG A 647 8.536 -17.262 2.777 1.00 0.00 O ATOM 1102 CB ARG A 647 11.142 -15.954 4.315 1.00 0.00 C ATOM 1103 CG ARG A 647 12.449 -15.162 4.401 1.00 0.00 C ATOM 1104 CD ARG A 647 13.541 -15.840 5.240 1.00 0.00 C ATOM 1105 NE ARG A 647 14.145 -17.004 4.566 1.00 0.00 N ATOM 1106 CZ ARG A 647 15.093 -16.955 3.615 1.00 0.00 C ATOM 1107 NH1 ARG A 647 15.549 -15.796 3.152 1.00 0.00 N ATOM 1108 NH2 ARG A 647 15.587 -18.089 3.117 1.00 0.00 N ATOM 0 H ARG A 647 10.667 -13.647 3.224 1.00 0.00 H new ATOM 0 HA ARG A 647 10.815 -16.302 2.236 1.00 0.00 H new ATOM 0 HB2 ARG A 647 10.519 -15.693 5.171 1.00 0.00 H new ATOM 0 HB3 ARG A 647 11.372 -17.016 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 647 12.829 -15.000 3.393 1.00 0.00 H new ATOM 0 HG3 ARG A 647 12.239 -14.180 4.824 1.00 0.00 H new ATOM 0 HD2 ARG A 647 14.321 -15.113 5.467 1.00 0.00 H new ATOM 0 HD3 ARG A 647 13.115 -16.158 6.192 1.00 0.00 H new ATOM 0 HE ARG A 647 13.814 -17.927 4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 647 15.179 -14.919 3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 647 16.269 -15.783 2.430 1.00 0.00 H new ATOM 0 HH21 ARG A 647 15.245 -18.987 3.458 1.00 0.00 H new ATOM 0 HH22 ARG A 647 16.307 -18.058 2.395 1.00 0.00 H new ATOM 1122 N ILE A 648 8.108 -15.403 3.968 1.00 0.00 N ATOM 1123 CA ILE A 648 6.729 -15.724 4.330 1.00 0.00 C ATOM 1124 C ILE A 648 5.956 -16.095 3.068 1.00 0.00 C ATOM 1125 O ILE A 648 5.424 -17.202 2.976 1.00 0.00 O ATOM 1126 CB ILE A 648 6.093 -14.544 5.094 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.775 -14.388 6.478 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.581 -14.718 5.301 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.585 -13.010 7.118 1.00 0.00 C ATOM 0 H ILE A 648 8.412 -14.494 4.318 1.00 0.00 H new ATOM 0 HA ILE A 648 6.700 -16.582 5.001 1.00 0.00 H new ATOM 0 HB ILE A 648 6.245 -13.653 4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.380 -15.147 7.153 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.842 -14.582 6.369 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.187 -13.859 5.844 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.087 -14.793 4.332 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.394 -15.626 5.874 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.092 -12.984 8.082 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.006 -12.245 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.522 -12.819 7.262 1.00 0.00 H new ATOM 1141 N LEU A 649 5.900 -15.201 2.073 1.00 0.00 N ATOM 1142 CA LEU A 649 5.134 -15.498 0.879 1.00 0.00 C ATOM 1143 C LEU A 649 5.738 -16.658 0.062 1.00 0.00 C ATOM 1144 O LEU A 649 5.012 -17.328 -0.674 1.00 0.00 O ATOM 1145 CB LEU A 649 4.911 -14.230 0.042 1.00 0.00 C ATOM 1146 CG LEU A 649 3.863 -13.280 0.641 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.411 -12.290 1.669 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.206 -12.481 -0.490 1.00 0.00 C ATOM 0 H LEU A 649 6.365 -14.293 2.077 1.00 0.00 H new ATOM 0 HA LEU A 649 4.153 -15.850 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 649 5.857 -13.698 -0.058 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.599 -14.517 -0.962 1.00 0.00 H new ATOM 0 HG LEU A 649 3.154 -13.918 1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.600 -11.661 2.037 1.00 0.00 H new ATOM 0 HD12 LEU A 649 4.852 -12.837 2.502 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.172 -11.665 1.202 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.461 -11.804 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 649 3.966 -11.903 -1.016 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.724 -13.166 -1.187 1.00 0.00 H new ATOM 1160 N LYS A 650 7.041 -16.932 0.207 1.00 0.00 N ATOM 1161 CA LYS A 650 7.700 -18.090 -0.424 1.00 0.00 C ATOM 1162 C LYS A 650 7.240 -19.381 0.242 1.00 0.00 C ATOM 1163 O LYS A 650 6.911 -20.358 -0.422 1.00 0.00 O ATOM 1164 CB LYS A 650 9.245 -17.996 -0.418 1.00 0.00 C ATOM 1165 CG LYS A 650 9.787 -17.092 -1.536 1.00 0.00 C ATOM 1166 CD LYS A 650 11.254 -16.673 -1.394 1.00 0.00 C ATOM 1167 CE LYS A 650 12.260 -17.814 -1.525 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.650 -17.312 -1.425 1.00 0.00 N ATOM 0 H LYS A 650 7.672 -16.357 0.766 1.00 0.00 H new ATOM 0 HA LYS A 650 7.399 -18.089 -1.472 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.578 -17.614 0.547 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.666 -18.995 -0.528 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.666 -17.609 -2.488 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.173 -16.192 -1.581 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.478 -15.921 -2.151 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.389 -16.197 -0.423 1.00 0.00 H new ATOM 0 HE2 LYS A 650 12.080 -18.553 -0.745 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.120 -18.319 -2.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.313 -18.111 -1.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.837 -16.650 -2.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.778 -16.822 -0.517 1.00 0.00 H new ATOM 1182 N ASP A 651 7.183 -19.346 1.565 1.00 0.00 N ATOM 1183 CA ASP A 651 6.853 -20.451 2.460 1.00 0.00 C ATOM 1184 C ASP A 651 5.395 -20.855 2.277 1.00 0.00 C ATOM 1185 O ASP A 651 5.054 -22.034 2.241 1.00 0.00 O ATOM 1186 CB ASP A 651 7.099 -19.998 3.902 1.00 0.00 C ATOM 1187 CG ASP A 651 7.065 -21.175 4.873 1.00 0.00 C ATOM 1188 OD1 ASP A 651 8.015 -21.986 4.812 1.00 0.00 O ATOM 1189 OD2 ASP A 651 6.107 -21.227 5.675 1.00 0.00 O ATOM 0 H ASP A 651 7.379 -18.487 2.079 1.00 0.00 H new ATOM 0 HA ASP A 651 7.478 -21.314 2.232 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.066 -19.499 3.968 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.343 -19.267 4.189 1.00 0.00 H new ATOM 1194 N LYS A 652 4.544 -19.849 2.061 1.00 0.00 N ATOM 1195 CA LYS A 652 3.141 -20.014 1.696 1.00 0.00 C ATOM 1196 C LYS A 652 2.961 -20.612 0.301 1.00 0.00 C ATOM 1197 O LYS A 652 1.834 -20.954 -0.051 1.00 0.00 O ATOM 1198 CB LYS A 652 2.468 -18.638 1.760 1.00 0.00 C ATOM 1199 CG LYS A 652 2.187 -18.217 3.210 1.00 0.00 C ATOM 1200 CD LYS A 652 2.290 -16.696 3.389 1.00 0.00 C ATOM 1201 CE LYS A 652 1.116 -16.077 4.157 1.00 0.00 C ATOM 1202 NZ LYS A 652 -0.155 -16.170 3.406 1.00 0.00 N ATOM 0 H LYS A 652 4.823 -18.871 2.138 1.00 0.00 H new ATOM 0 HA LYS A 652 2.684 -20.713 2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.108 -17.896 1.282 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.534 -18.662 1.199 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.191 -18.551 3.499 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.895 -18.711 3.876 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.217 -16.464 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.355 -16.229 2.406 1.00 0.00 H new ATOM 0 HE2 LYS A 652 1.006 -16.581 5.117 1.00 0.00 H new ATOM 0 HE3 LYS A 652 1.335 -15.031 4.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 -0.881 -15.595 3.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 -0.013 -15.819 2.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 -0.466 -17.162 3.372 1.00 0.00 H new ATOM 1216 N GLY A 653 4.021 -20.686 -0.514 1.00 0.00 N ATOM 1217 CA GLY A 653 3.906 -21.019 -1.924 1.00 0.00 C ATOM 1218 C GLY A 653 3.090 -19.972 -2.683 1.00 0.00 C ATOM 1219 O GLY A 653 2.492 -20.303 -3.703 1.00 0.00 O ATOM 0 H GLY A 653 4.978 -20.515 -0.207 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.901 -21.095 -2.363 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.435 -21.996 -2.031 1.00 0.00 H new ATOM 1223 N ALA A 654 3.034 -18.726 -2.190 1.00 0.00 N ATOM 1224 CA ALA A 654 2.444 -17.620 -2.925 1.00 0.00 C ATOM 1225 C ALA A 654 3.447 -17.107 -3.961 1.00 0.00 C ATOM 1226 O ALA A 654 3.071 -16.797 -5.093 1.00 0.00 O ATOM 1227 CB ALA A 654 2.022 -16.518 -1.948 1.00 0.00 C ATOM 0 H ALA A 654 3.398 -18.467 -1.273 1.00 0.00 H new ATOM 0 HA ALA A 654 1.552 -17.953 -3.455 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.580 -15.690 -2.502 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.290 -16.916 -1.245 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.895 -16.163 -1.401 1.00 0.00 H new ATOM 1233 N ILE A 655 4.732 -17.036 -3.591 1.00 0.00 N ATOM 1234 CA ILE A 655 5.782 -16.592 -4.497 1.00 0.00 C ATOM 1235 C ILE A 655 6.899 -17.624 -4.485 1.00 0.00 C ATOM 1236 O ILE A 655 6.882 -18.588 -3.718 1.00 0.00 O ATOM 1237 CB ILE A 655 6.260 -15.164 -4.156 1.00 0.00 C ATOM 1238 CG1 ILE A 655 6.894 -15.129 -2.765 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.079 -14.194 -4.267 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.710 -13.880 -2.442 1.00 0.00 C ATOM 0 H ILE A 655 5.065 -17.285 -2.659 1.00 0.00 H new ATOM 0 HA ILE A 655 5.396 -16.522 -5.514 1.00 0.00 H new ATOM 0 HB ILE A 655 7.027 -14.854 -4.866 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.102 -15.226 -2.022 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.540 -16.001 -2.658 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.413 -13.185 -4.027 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.686 -14.214 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.296 -14.493 -3.570 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.113 -13.960 -1.433 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.530 -13.787 -3.154 1.00 0.00 H new ATOM 0 HD13 ILE A 655 7.070 -13.000 -2.508 1.00 0.00 H new ATOM 1252 N PHE A 656 7.867 -17.414 -5.362 1.00 0.00 N ATOM 1253 CA PHE A 656 9.014 -18.274 -5.516 1.00 0.00 C ATOM 1254 C PHE A 656 10.188 -17.445 -5.996 1.00 0.00 C ATOM 1255 O PHE A 656 10.034 -16.258 -6.276 1.00 0.00 O ATOM 1256 CB PHE A 656 8.675 -19.397 -6.499 1.00 0.00 C ATOM 1257 CG PHE A 656 9.325 -20.696 -6.098 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.837 -21.393 -4.977 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.456 -21.162 -6.790 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.479 -22.571 -4.556 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.098 -22.338 -6.366 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.607 -23.044 -5.252 1.00 0.00 C ATOM 0 H PHE A 656 7.871 -16.618 -6.000 1.00 0.00 H new ATOM 0 HA PHE A 656 9.284 -18.732 -4.564 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.594 -19.529 -6.544 1.00 0.00 H new ATOM 0 HB3 PHE A 656 9.004 -19.118 -7.500 1.00 0.00 H new ATOM 0 HD1 PHE A 656 7.974 -21.025 -4.443 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.830 -20.618 -7.645 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.107 -23.113 -3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.968 -22.700 -6.895 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.097 -23.951 -4.930 1.00 0.00 H new ATOM 1272 N GLU A 657 11.349 -18.086 -6.111 1.00 0.00 N ATOM 1273 CA GLU A 657 12.591 -17.460 -6.522 1.00 0.00 C ATOM 1274 C GLU A 657 13.241 -18.359 -7.584 1.00 0.00 C ATOM 1275 O GLU A 657 14.101 -19.172 -7.247 1.00 0.00 O ATOM 1276 CB GLU A 657 13.420 -17.188 -5.255 1.00 0.00 C ATOM 1277 CG GLU A 657 14.628 -16.266 -5.487 1.00 0.00 C ATOM 1278 CD GLU A 657 14.832 -15.242 -4.367 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.667 -15.636 -3.186 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.098 -14.063 -4.704 1.00 0.00 O ATOM 0 H GLU A 657 11.448 -19.082 -5.914 1.00 0.00 H new ATOM 0 HA GLU A 657 12.469 -16.489 -7.002 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.774 -16.741 -4.499 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.772 -18.138 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.528 -16.874 -5.582 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.498 -15.739 -6.432 1.00 0.00 H new ATOM 1287 N PRO A 658 12.796 -18.287 -8.860 1.00 0.00 N ATOM 1288 CA PRO A 658 13.291 -19.143 -9.941 1.00 0.00 C ATOM 1289 C PRO A 658 14.789 -19.004 -10.206 1.00 0.00 C ATOM 1290 O PRO A 658 15.391 -19.922 -10.762 1.00 0.00 O ATOM 1291 CB PRO A 658 12.505 -18.760 -11.196 1.00 0.00 C ATOM 1292 CG PRO A 658 11.907 -17.399 -10.870 1.00 0.00 C ATOM 1293 CD PRO A 658 11.689 -17.485 -9.362 1.00 0.00 C ATOM 0 HA PRO A 658 13.146 -20.184 -9.653 1.00 0.00 H new ATOM 0 HB2 PRO A 658 13.154 -18.709 -12.071 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.728 -19.492 -11.417 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.582 -16.585 -11.136 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.973 -17.227 -11.406 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.683 -16.494 -8.908 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.730 -17.948 -9.129 1.00 0.00 H new ATOM 1301 N ALA A 659 15.389 -17.876 -9.822 1.00 0.00 N ATOM 1302 CA ALA A 659 16.832 -17.719 -9.799 1.00 0.00 C ATOM 1303 C ALA A 659 17.245 -16.906 -8.584 1.00 0.00 C ATOM 1304 O ALA A 659 16.424 -16.266 -7.938 1.00 0.00 O ATOM 1305 CB ALA A 659 17.322 -17.052 -11.082 1.00 0.00 C ATOM 0 H ALA A 659 14.880 -17.046 -9.518 1.00 0.00 H new ATOM 0 HA ALA A 659 17.290 -18.706 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 659 18.406 -16.944 -11.045 1.00 0.00 H new ATOM 0 HB2 ALA A 659 17.048 -17.667 -11.939 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.862 -16.069 -11.179 1.00 0.00 H new ATOM 1311 N ARG A 660 18.554 -16.904 -8.331 1.00 0.00 N ATOM 1312 CA ARG A 660 19.214 -16.568 -7.068 1.00 0.00 C ATOM 1313 C ARG A 660 18.782 -15.247 -6.445 1.00 0.00 C ATOM 1314 O ARG A 660 18.811 -15.098 -5.228 1.00 0.00 O ATOM 1315 CB ARG A 660 20.729 -16.518 -7.304 1.00 0.00 C ATOM 1316 CG ARG A 660 21.265 -17.710 -8.105 1.00 0.00 C ATOM 1317 CD ARG A 660 22.625 -18.210 -7.603 1.00 0.00 C ATOM 1318 NE ARG A 660 23.665 -17.170 -7.706 1.00 0.00 N ATOM 1319 CZ ARG A 660 24.898 -17.228 -7.180 1.00 0.00 C ATOM 1320 NH1 ARG A 660 25.303 -18.311 -6.514 1.00 0.00 N ATOM 1321 NH2 ARG A 660 25.727 -16.194 -7.322 1.00 0.00 N ATOM 0 H ARG A 660 19.229 -17.155 -9.054 1.00 0.00 H new ATOM 0 HA ARG A 660 18.920 -17.346 -6.363 1.00 0.00 H new ATOM 0 HB2 ARG A 660 20.976 -15.596 -7.831 1.00 0.00 H new ATOM 0 HB3 ARG A 660 21.237 -16.480 -6.341 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.544 -18.526 -8.056 1.00 0.00 H new ATOM 0 HG3 ARG A 660 21.354 -17.425 -9.153 1.00 0.00 H new ATOM 0 HD2 ARG A 660 22.534 -18.530 -6.565 1.00 0.00 H new ATOM 0 HD3 ARG A 660 22.927 -19.084 -8.181 1.00 0.00 H new ATOM 0 HE ARG A 660 23.424 -16.326 -8.226 1.00 0.00 H new ATOM 0 HH11 ARG A 660 24.673 -19.105 -6.401 1.00 0.00 H new ATOM 0 HH12 ARG A 660 26.242 -18.345 -6.118 1.00 0.00 H new ATOM 0 HH21 ARG A 660 25.423 -15.363 -7.829 1.00 0.00 H new ATOM 0 HH22 ARG A 660 26.665 -16.234 -6.924 1.00 0.00 H new ATOM 1335 N GLY A 661 18.438 -14.304 -7.312 1.00 0.00 N ATOM 1336 CA GLY A 661 17.958 -12.975 -6.965 1.00 0.00 C ATOM 1337 C GLY A 661 16.822 -12.518 -7.873 1.00 0.00 C ATOM 1338 O GLY A 661 16.773 -11.335 -8.204 1.00 0.00 O ATOM 0 H GLY A 661 18.488 -14.452 -8.320 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.617 -12.973 -5.930 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.782 -12.264 -7.031 1.00 0.00 H new ATOM 1342 N TYR A 662 15.934 -13.429 -8.296 1.00 0.00 N ATOM 1343 CA TYR A 662 14.756 -13.103 -9.095 1.00 0.00 C ATOM 1344 C TYR A 662 13.550 -13.861 -8.557 1.00 0.00 C ATOM 1345 O TYR A 662 13.512 -15.085 -8.678 1.00 0.00 O ATOM 1346 CB TYR A 662 14.982 -13.460 -10.569 1.00 0.00 C ATOM 1347 CG TYR A 662 15.854 -12.479 -11.323 1.00 0.00 C ATOM 1348 CD1 TYR A 662 15.276 -11.316 -11.859 1.00 0.00 C ATOM 1349 CD2 TYR A 662 17.233 -12.717 -11.484 1.00 0.00 C ATOM 1350 CE1 TYR A 662 16.071 -10.388 -12.549 1.00 0.00 C ATOM 1351 CE2 TYR A 662 18.035 -11.794 -12.180 1.00 0.00 C ATOM 1352 CZ TYR A 662 17.455 -10.620 -12.717 1.00 0.00 C ATOM 1353 OH TYR A 662 18.223 -9.713 -13.392 1.00 0.00 O ATOM 0 H TYR A 662 16.020 -14.424 -8.087 1.00 0.00 H new ATOM 0 HA TYR A 662 14.574 -12.031 -9.027 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.436 -14.449 -10.625 1.00 0.00 H new ATOM 0 HB3 TYR A 662 14.015 -13.525 -11.067 1.00 0.00 H new ATOM 0 HD1 TYR A 662 14.218 -11.136 -11.740 1.00 0.00 H new ATOM 0 HD2 TYR A 662 17.676 -13.611 -11.072 1.00 0.00 H new ATOM 0 HE1 TYR A 662 15.623 -9.492 -12.954 1.00 0.00 H new ATOM 0 HE2 TYR A 662 19.091 -11.981 -12.304 1.00 0.00 H new ATOM 0 HH TYR A 662 19.152 -10.024 -13.416 1.00 0.00 H new ATOM 1363 N LEU A 663 12.571 -13.141 -7.997 1.00 0.00 N ATOM 1364 CA LEU A 663 11.283 -13.681 -7.579 1.00 0.00 C ATOM 1365 C LEU A 663 10.351 -13.933 -8.768 1.00 0.00 C ATOM 1366 O LEU A 663 10.567 -13.425 -9.871 1.00 0.00 O ATOM 1367 CB LEU A 663 10.578 -12.747 -6.571 1.00 0.00 C ATOM 1368 CG LEU A 663 11.305 -12.545 -5.230 1.00 0.00 C ATOM 1369 CD1 LEU A 663 10.440 -11.695 -4.294 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.631 -13.869 -4.527 1.00 0.00 C ATOM 0 H LEU A 663 12.660 -12.141 -7.820 1.00 0.00 H new ATOM 0 HA LEU A 663 11.496 -14.635 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.442 -11.773 -7.040 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.584 -13.145 -6.368 1.00 0.00 H new ATOM 0 HG LEU A 663 12.246 -12.043 -5.456 1.00 0.00 H new ATOM 0 HD11 LEU A 663 10.959 -11.555 -3.346 1.00 0.00 H new ATOM 0 HD12 LEU A 663 10.254 -10.724 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.491 -12.201 -4.117 1.00 0.00 H new ATOM 0 HD21 LEU A 663 12.143 -13.665 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.707 -14.412 -4.327 1.00 0.00 H new ATOM 0 HD23 LEU A 663 12.275 -14.472 -5.167 1.00 0.00 H new ATOM 1382 N LYS A 664 9.276 -14.681 -8.498 1.00 0.00 N ATOM 1383 CA LYS A 664 8.076 -14.835 -9.313 1.00 0.00 C ATOM 1384 C LYS A 664 6.876 -15.012 -8.394 1.00 0.00 C ATOM 1385 O LYS A 664 7.045 -15.483 -7.267 1.00 0.00 O ATOM 1386 CB LYS A 664 8.264 -15.991 -10.311 1.00 0.00 C ATOM 1387 CG LYS A 664 7.630 -17.301 -9.836 1.00 0.00 C ATOM 1388 CD LYS A 664 7.890 -18.493 -10.759 1.00 0.00 C ATOM 1389 CE LYS A 664 6.675 -19.427 -10.685 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.451 -18.886 -11.331 1.00 0.00 N ATOM 0 H LYS A 664 9.222 -15.232 -7.642 1.00 0.00 H new ATOM 0 HA LYS A 664 7.893 -13.944 -9.914 1.00 0.00 H new ATOM 0 HB2 LYS A 664 7.829 -15.710 -11.270 1.00 0.00 H new ATOM 0 HB3 LYS A 664 9.329 -16.149 -10.479 1.00 0.00 H new ATOM 0 HG2 LYS A 664 8.010 -17.536 -8.842 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.554 -17.157 -9.741 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.048 -18.154 -11.783 1.00 0.00 H new ATOM 0 HD3 LYS A 664 8.794 -19.020 -10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.931 -20.376 -11.155 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.457 -19.639 -9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.655 -19.535 -11.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.228 -17.954 -10.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 5.612 -18.790 -12.354 1.00 0.00 H new ATOM 1404 N ILE A 665 5.676 -14.729 -8.896 1.00 0.00 N ATOM 1405 CA ILE A 665 4.442 -15.194 -8.285 1.00 0.00 C ATOM 1406 C ILE A 665 4.194 -16.617 -8.788 1.00 0.00 C ATOM 1407 O ILE A 665 4.242 -16.842 -10.000 1.00 0.00 O ATOM 1408 CB ILE A 665 3.255 -14.256 -8.597 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.580 -12.815 -8.141 1.00 0.00 C ATOM 1410 CG2 ILE A 665 1.997 -14.814 -7.903 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.489 -11.780 -8.425 1.00 0.00 C ATOM 0 H ILE A 665 5.536 -14.171 -9.738 1.00 0.00 H new ATOM 0 HA ILE A 665 4.535 -15.190 -7.199 1.00 0.00 H new ATOM 0 HB ILE A 665 3.071 -14.214 -9.671 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.778 -12.826 -7.069 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.499 -12.494 -8.631 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.147 -14.164 -8.112 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.788 -15.816 -8.278 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.164 -14.857 -6.827 1.00 0.00 H new ATOM 0 HD11 ILE A 665 2.813 -10.802 -8.068 1.00 0.00 H new ATOM 0 HD12 ILE A 665 2.304 -11.731 -9.498 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.572 -12.068 -7.912 1.00 0.00 H new ATOM 1423 N VAL A 666 3.990 -17.574 -7.871 1.00 0.00 N ATOM 1424 CA VAL A 666 3.776 -18.990 -8.188 1.00 0.00 C ATOM 1425 C VAL A 666 2.746 -19.175 -9.303 1.00 0.00 C ATOM 1426 O VAL A 666 1.594 -18.729 -9.126 1.00 0.00 O ATOM 1427 CB VAL A 666 3.466 -19.802 -6.910 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.924 -21.215 -7.179 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.768 -19.959 -6.112 1.00 0.00 C ATOM 1430 OXT VAL A 666 3.172 -19.761 -10.329 1.00 0.00 O ATOM 0 H VAL A 666 3.969 -17.380 -6.870 1.00 0.00 H new ATOM 0 HA VAL A 666 4.705 -19.397 -8.588 1.00 0.00 H new ATOM 0 HB VAL A 666 2.693 -19.251 -6.375 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.732 -21.718 -6.231 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.997 -21.147 -7.748 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.658 -21.784 -7.749 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.572 -20.530 -5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.506 -20.484 -6.719 1.00 0.00 H new ATOM 0 HG23 VAL A 666 5.152 -18.974 -5.845 1.00 0.00 H new