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+ -178:sc= 1.32 (180deg=1.27) USER MOD Single : A 612 LYS NZ :NH3+ 161:sc= 1.28 (180deg=1.04) USER MOD Single : A 614 TYR OH : rot 165:sc= 0.979 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot 164:sc= 0.924 USER MOD Single : A 625 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 629 THR OG1 : rot 103:sc= 1.24 USER MOD Single : A 631 MET CE :methyl -131:sc= -0.0531 (180deg=-0.923) USER MOD Single : A 632 MET CE :methyl 145:sc= -0.518 (180deg=-1.34) USER MOD Single : A 635 TYR OH : rot 30:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 1.2 K(o=1.2,f=-0.12) USER MOD Single : A 638 SER OG : rot 180:sc= 0.00953 USER MOD Single : A 641 LYS NZ :NH3+ -167:sc= 2.43 (180deg=2.14) USER MOD Single : A 650 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.17) USER MOD Single : A 652 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0126) USER MOD Single : A 662 TYR OH : rot 180:sc= 0 USER MOD Single : A 664 LYS NZ :NH3+ -175:sc= -0.586! (180deg=-0.734!) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -3.979 -2.348 2.206 1.00 0.00 N ATOM 325 CA ARG A 601 -2.607 -2.654 1.818 1.00 0.00 C ATOM 326 C ARG A 601 -1.910 -3.230 3.051 1.00 0.00 C ATOM 327 O ARG A 601 -2.298 -2.908 4.177 1.00 0.00 O ATOM 328 CB ARG A 601 -1.906 -1.378 1.311 1.00 0.00 C ATOM 329 CG ARG A 601 -1.700 -0.310 2.399 1.00 0.00 C ATOM 330 CD ARG A 601 -0.316 -0.442 3.058 1.00 0.00 C ATOM 331 NE ARG A 601 -0.168 0.456 4.212 1.00 0.00 N ATOM 332 CZ ARG A 601 -0.622 0.234 5.458 1.00 0.00 C ATOM 333 NH1 ARG A 601 -1.336 -0.853 5.771 1.00 0.00 N ATOM 334 NH2 ARG A 601 -0.354 1.125 6.413 1.00 0.00 N ATOM 0 HA ARG A 601 -2.574 -3.378 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -0.937 -1.649 0.892 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -2.495 -0.949 0.500 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -1.803 0.683 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.477 -0.406 3.158 1.00 0.00 H new ATOM 0 HD2 ARG A 601 -0.164 -1.473 3.379 1.00 0.00 H new ATOM 0 HD3 ARG A 601 0.458 -0.219 2.324 1.00 0.00 H new ATOM 0 HE ARG A 601 0.327 1.333 4.052 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -1.552 -1.545 5.054 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -1.665 -0.989 6.727 1.00 0.00 H new ATOM 0 HH21 ARG A 601 0.188 1.961 6.193 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -0.691 0.971 7.363 1.00 0.00 H new ATOM 348 N ASP A 602 -0.826 -3.976 2.857 1.00 0.00 N ATOM 349 CA ASP A 602 0.073 -4.455 3.905 1.00 0.00 C ATOM 350 C ASP A 602 1.456 -4.595 3.284 1.00 0.00 C ATOM 351 O ASP A 602 1.533 -4.652 2.060 1.00 0.00 O ATOM 352 CB ASP A 602 -0.398 -5.820 4.422 1.00 0.00 C ATOM 353 CG ASP A 602 0.107 -6.118 5.839 1.00 0.00 C ATOM 354 OD1 ASP A 602 1.173 -5.569 6.208 1.00 0.00 O ATOM 355 OD2 ASP A 602 -0.547 -6.940 6.510 1.00 0.00 O ATOM 0 H ASP A 602 -0.537 -4.276 1.926 1.00 0.00 H new ATOM 0 HA ASP A 602 0.088 -3.759 4.744 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.488 -5.852 4.414 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.052 -6.601 3.745 1.00 0.00 H new ATOM 360 N LYS A 603 2.535 -4.722 4.062 1.00 0.00 N ATOM 361 CA LYS A 603 3.876 -4.867 3.483 1.00 0.00 C ATOM 362 C LYS A 603 3.930 -6.114 2.599 1.00 0.00 C ATOM 363 O LYS A 603 4.505 -6.067 1.517 1.00 0.00 O ATOM 364 CB LYS A 603 5.025 -4.867 4.512 1.00 0.00 C ATOM 365 CG LYS A 603 4.758 -4.216 5.881 1.00 0.00 C ATOM 366 CD LYS A 603 4.368 -5.279 6.923 1.00 0.00 C ATOM 367 CE LYS A 603 5.615 -6.016 7.435 1.00 0.00 C ATOM 368 NZ LYS A 603 5.297 -7.345 8.002 1.00 0.00 N ATOM 0 H LYS A 603 2.509 -4.728 5.082 1.00 0.00 H new ATOM 0 HA LYS A 603 4.042 -3.974 2.880 1.00 0.00 H new ATOM 0 HB2 LYS A 603 5.321 -5.902 4.684 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.879 -4.362 4.061 1.00 0.00 H new ATOM 0 HG2 LYS A 603 5.648 -3.682 6.215 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.960 -3.480 5.789 1.00 0.00 H new ATOM 0 HD2 LYS A 603 3.850 -4.806 7.757 1.00 0.00 H new ATOM 0 HD3 LYS A 603 3.673 -5.993 6.480 1.00 0.00 H new ATOM 0 HE2 LYS A 603 6.324 -6.135 6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 603 6.105 -5.408 8.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 6.167 -7.785 8.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 4.615 -7.237 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 4.885 -7.949 7.262 1.00 0.00 H new ATOM 382 N PHE A 604 3.271 -7.197 3.029 1.00 0.00 N ATOM 383 CA PHE A 604 3.080 -8.424 2.262 1.00 0.00 C ATOM 384 C PHE A 604 2.479 -8.120 0.883 1.00 0.00 C ATOM 385 O PHE A 604 2.989 -8.565 -0.144 1.00 0.00 O ATOM 386 CB PHE A 604 2.153 -9.358 3.061 1.00 0.00 C ATOM 387 CG PHE A 604 2.578 -9.623 4.497 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.800 -10.261 4.784 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.749 -9.214 5.559 1.00 0.00 C ATOM 390 CE1 PHE A 604 4.185 -10.480 6.119 1.00 0.00 C ATOM 391 CE2 PHE A 604 2.139 -9.422 6.892 1.00 0.00 C ATOM 392 CZ PHE A 604 3.357 -10.062 7.175 1.00 0.00 C ATOM 0 H PHE A 604 2.843 -7.240 3.954 1.00 0.00 H new ATOM 0 HA PHE A 604 4.044 -8.907 2.099 1.00 0.00 H new ATOM 0 HB2 PHE A 604 1.151 -8.928 3.069 1.00 0.00 H new ATOM 0 HB3 PHE A 604 2.086 -10.312 2.537 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.443 -10.583 3.978 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.804 -8.736 5.346 1.00 0.00 H new ATOM 0 HE1 PHE A 604 5.122 -10.972 6.334 1.00 0.00 H new ATOM 0 HE2 PHE A 604 1.503 -9.090 7.699 1.00 0.00 H new ATOM 0 HZ PHE A 604 3.656 -10.232 8.199 1.00 0.00 H new ATOM 402 N ARG A 605 1.389 -7.342 0.869 1.00 0.00 N ATOM 403 CA ARG A 605 0.721 -6.906 -0.348 1.00 0.00 C ATOM 404 C ARG A 605 1.648 -6.000 -1.158 1.00 0.00 C ATOM 405 O ARG A 605 1.848 -6.283 -2.330 1.00 0.00 O ATOM 406 CB ARG A 605 -0.616 -6.214 -0.022 1.00 0.00 C ATOM 407 CG ARG A 605 -1.787 -7.172 0.250 1.00 0.00 C ATOM 408 CD ARG A 605 -1.906 -7.532 1.735 1.00 0.00 C ATOM 409 NE ARG A 605 -3.140 -8.281 2.032 1.00 0.00 N ATOM 410 CZ ARG A 605 -4.346 -7.734 2.257 1.00 0.00 C ATOM 411 NH1 ARG A 605 -4.553 -6.429 2.140 1.00 0.00 N ATOM 412 NH2 ARG A 605 -5.396 -8.469 2.608 1.00 0.00 N ATOM 0 H ARG A 605 0.945 -6.996 1.720 1.00 0.00 H new ATOM 0 HA ARG A 605 0.489 -7.779 -0.957 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.476 -5.577 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.884 -5.562 -0.853 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.716 -6.712 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.652 -8.083 -0.333 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.042 -8.127 2.033 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -1.885 -6.619 2.331 1.00 0.00 H new ATOM 0 HE ARG A 605 -3.073 -9.298 2.070 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -3.785 -5.813 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -5.480 -6.042 2.317 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -5.299 -9.479 2.714 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -6.299 -8.023 2.772 1.00 0.00 H new ATOM 426 N LEU A 606 2.253 -4.965 -0.561 1.00 0.00 N ATOM 427 CA LEU A 606 3.140 -4.030 -1.240 1.00 0.00 C ATOM 428 C LEU A 606 4.249 -4.816 -1.934 1.00 0.00 C ATOM 429 O LEU A 606 4.495 -4.592 -3.117 1.00 0.00 O ATOM 430 CB LEU A 606 3.719 -3.004 -0.245 1.00 0.00 C ATOM 431 CG LEU A 606 2.705 -2.039 0.412 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.412 -1.196 1.480 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.020 -1.119 -0.604 1.00 0.00 C ATOM 0 H LEU A 606 2.132 -4.755 0.430 1.00 0.00 H new ATOM 0 HA LEU A 606 2.578 -3.470 -1.988 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.235 -3.548 0.546 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.470 -2.409 -0.765 1.00 0.00 H new ATOM 0 HG LEU A 606 1.926 -2.651 0.867 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.695 -0.517 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.832 -1.852 2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.212 -0.619 1.017 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.319 -0.464 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 606 2.772 -0.516 -1.114 1.00 0.00 H new ATOM 0 HD23 LEU A 606 1.481 -1.722 -1.335 1.00 0.00 H new ATOM 445 N LEU A 607 4.853 -5.785 -1.232 1.00 0.00 N ATOM 446 CA LEU A 607 5.850 -6.656 -1.821 1.00 0.00 C ATOM 447 C LEU A 607 5.263 -7.421 -3.011 1.00 0.00 C ATOM 448 O LEU A 607 5.859 -7.414 -4.084 1.00 0.00 O ATOM 449 CB LEU A 607 6.493 -7.595 -0.773 1.00 0.00 C ATOM 450 CG LEU A 607 7.583 -8.501 -1.404 1.00 0.00 C ATOM 451 CD1 LEU A 607 8.987 -8.073 -0.981 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.357 -9.980 -1.060 1.00 0.00 C ATOM 0 H LEU A 607 4.659 -5.977 -0.249 1.00 0.00 H new ATOM 0 HA LEU A 607 6.660 -6.032 -2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.933 -7.000 0.027 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.721 -8.217 -0.320 1.00 0.00 H new ATOM 0 HG LEU A 607 7.500 -8.383 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.723 -8.731 -1.443 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.166 -7.047 -1.301 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.075 -8.135 0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.140 -10.584 -1.519 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.385 -10.110 0.022 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.385 -10.297 -1.438 1.00 0.00 H new ATOM 464 N LEU A 608 4.107 -8.072 -2.848 1.00 0.00 N ATOM 465 CA LEU A 608 3.555 -8.957 -3.866 1.00 0.00 C ATOM 466 C LEU A 608 3.161 -8.171 -5.119 1.00 0.00 C ATOM 467 O LEU A 608 3.286 -8.674 -6.230 1.00 0.00 O ATOM 468 CB LEU A 608 2.347 -9.669 -3.233 1.00 0.00 C ATOM 469 CG LEU A 608 1.610 -10.650 -4.157 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.494 -11.847 -4.520 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.339 -11.151 -3.460 1.00 0.00 C ATOM 0 H LEU A 608 3.533 -7.998 -2.008 1.00 0.00 H new ATOM 0 HA LEU A 608 4.294 -9.690 -4.190 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.686 -10.211 -2.350 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.639 -8.914 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 608 1.354 -10.123 -5.076 1.00 0.00 H new ATOM 0 HD11 LEU A 608 1.942 -12.522 -5.175 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.390 -11.496 -5.033 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.780 -12.377 -3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.185 -11.847 -4.115 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.608 -11.657 -2.533 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.311 -10.305 -3.236 1.00 0.00 H new ATOM 483 N GLU A 609 2.712 -6.932 -4.944 1.00 0.00 N ATOM 484 CA GLU A 609 2.357 -5.992 -5.984 1.00 0.00 C ATOM 485 C GLU A 609 3.625 -5.500 -6.698 1.00 0.00 C ATOM 486 O GLU A 609 3.645 -5.471 -7.929 1.00 0.00 O ATOM 487 CB GLU A 609 1.512 -4.879 -5.352 1.00 0.00 C ATOM 488 CG GLU A 609 0.192 -5.448 -4.774 1.00 0.00 C ATOM 489 CD GLU A 609 -0.853 -5.803 -5.836 1.00 0.00 C ATOM 490 OE1 GLU A 609 -1.205 -4.930 -6.653 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.280 -6.984 -5.856 1.00 0.00 O ATOM 0 H GLU A 609 2.581 -6.540 -4.011 1.00 0.00 H new ATOM 0 HA GLU A 609 1.750 -6.454 -6.762 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.080 -4.391 -4.560 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.288 -4.118 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.418 -6.340 -4.190 1.00 0.00 H new ATOM 0 HG3 GLU A 609 -0.236 -4.718 -4.088 1.00 0.00 H new ATOM 498 N LEU A 610 4.729 -5.248 -5.976 1.00 0.00 N ATOM 499 CA LEU A 610 6.007 -5.030 -6.651 1.00 0.00 C ATOM 500 C LEU A 610 6.415 -6.272 -7.443 1.00 0.00 C ATOM 501 O LEU A 610 6.991 -6.129 -8.517 1.00 0.00 O ATOM 502 CB LEU A 610 7.158 -4.679 -5.696 1.00 0.00 C ATOM 503 CG LEU A 610 7.432 -3.192 -5.454 1.00 0.00 C ATOM 504 CD1 LEU A 610 6.451 -2.575 -4.470 1.00 0.00 C ATOM 505 CD2 LEU A 610 8.823 -3.051 -4.837 1.00 0.00 C ATOM 0 H LEU A 610 4.760 -5.192 -4.958 1.00 0.00 H new ATOM 0 HA LEU A 610 5.842 -4.177 -7.309 1.00 0.00 H new ATOM 0 HB2 LEU A 610 6.954 -5.147 -4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 610 8.070 -5.133 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 610 7.340 -2.684 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 610 6.688 -1.520 -4.333 1.00 0.00 H new ATOM 0 HD12 LEU A 610 5.437 -2.671 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 610 6.523 -3.091 -3.512 1.00 0.00 H new ATOM 0 HD21 LEU A 610 9.036 -1.997 -4.657 1.00 0.00 H new ATOM 0 HD22 LEU A 610 8.859 -3.595 -3.893 1.00 0.00 H new ATOM 0 HD23 LEU A 610 9.567 -3.460 -5.520 1.00 0.00 H new ATOM 517 N ILE A 611 6.132 -7.488 -6.952 1.00 0.00 N ATOM 518 CA ILE A 611 6.480 -8.687 -7.711 1.00 0.00 C ATOM 519 C ILE A 611 5.756 -8.651 -9.061 1.00 0.00 C ATOM 520 O ILE A 611 6.390 -8.940 -10.067 1.00 0.00 O ATOM 521 CB ILE A 611 6.287 -10.007 -6.916 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.238 -10.025 -5.701 1.00 0.00 C ATOM 523 CG2 ILE A 611 6.597 -11.242 -7.787 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.017 -11.136 -4.682 1.00 0.00 C ATOM 0 H ILE A 611 5.675 -7.660 -6.056 1.00 0.00 H new ATOM 0 HA ILE A 611 7.553 -8.679 -7.904 1.00 0.00 H new ATOM 0 HB ILE A 611 5.246 -10.049 -6.596 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.261 -10.098 -6.070 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.152 -9.068 -5.186 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.452 -12.148 -7.199 1.00 0.00 H new ATOM 0 HG22 ILE A 611 5.929 -11.257 -8.648 1.00 0.00 H new ATOM 0 HG23 ILE A 611 7.630 -11.195 -8.131 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.746 -11.042 -3.877 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.010 -11.058 -4.271 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.136 -12.104 -5.168 1.00 0.00 H new ATOM 536 N LYS A 612 4.495 -8.208 -9.143 1.00 0.00 N ATOM 537 CA LYS A 612 3.770 -8.260 -10.418 1.00 0.00 C ATOM 538 C LYS A 612 4.177 -7.099 -11.316 1.00 0.00 C ATOM 539 O LYS A 612 4.256 -7.284 -12.530 1.00 0.00 O ATOM 540 CB LYS A 612 2.243 -8.378 -10.258 1.00 0.00 C ATOM 541 CG LYS A 612 1.643 -7.523 -9.140 1.00 0.00 C ATOM 542 CD LYS A 612 0.118 -7.558 -9.059 1.00 0.00 C ATOM 543 CE LYS A 612 -0.352 -8.866 -8.417 1.00 0.00 C ATOM 544 NZ LYS A 612 -1.692 -8.707 -7.822 1.00 0.00 N ATOM 0 H LYS A 612 3.966 -7.819 -8.362 1.00 0.00 H new ATOM 0 HA LYS A 612 4.066 -9.186 -10.910 1.00 0.00 H new ATOM 0 HB2 LYS A 612 1.771 -8.100 -11.201 1.00 0.00 H new ATOM 0 HB3 LYS A 612 1.992 -9.422 -10.071 1.00 0.00 H new ATOM 0 HG2 LYS A 612 2.052 -7.857 -8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 612 1.962 -6.490 -9.280 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.241 -6.710 -8.476 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.308 -7.462 -10.058 1.00 0.00 H new ATOM 0 HE2 LYS A 612 -0.374 -9.657 -9.167 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.357 -9.175 -7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -2.124 -9.643 -7.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 -1.609 -8.226 -6.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -2.289 -8.140 -8.457 1.00 0.00 H new ATOM 558 N GLU A 613 4.494 -5.931 -10.743 1.00 0.00 N ATOM 559 CA GLU A 613 4.937 -4.787 -11.531 1.00 0.00 C ATOM 560 C GLU A 613 6.337 -5.007 -12.122 1.00 0.00 C ATOM 561 O GLU A 613 6.687 -4.335 -13.089 1.00 0.00 O ATOM 562 CB GLU A 613 4.803 -3.478 -10.724 1.00 0.00 C ATOM 563 CG GLU A 613 6.067 -3.100 -9.948 1.00 0.00 C ATOM 564 CD GLU A 613 5.927 -1.801 -9.148 1.00 0.00 C ATOM 565 OE1 GLU A 613 5.381 -1.810 -8.021 1.00 0.00 O ATOM 566 OE2 GLU A 613 6.448 -0.764 -9.610 1.00 0.00 O ATOM 0 H GLU A 613 4.450 -5.759 -9.739 1.00 0.00 H new ATOM 0 HA GLU A 613 4.276 -4.686 -12.392 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.550 -2.666 -11.406 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.974 -3.577 -10.024 1.00 0.00 H new ATOM 0 HG2 GLU A 613 6.322 -3.912 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.897 -2.999 -10.648 1.00 0.00 H new ATOM 573 N TYR A 614 7.118 -5.953 -11.576 1.00 0.00 N ATOM 574 CA TYR A 614 8.505 -6.183 -11.962 1.00 0.00 C ATOM 575 C TYR A 614 8.706 -7.575 -12.557 1.00 0.00 C ATOM 576 O TYR A 614 9.727 -7.832 -13.192 1.00 0.00 O ATOM 577 CB TYR A 614 9.457 -5.918 -10.786 1.00 0.00 C ATOM 578 CG TYR A 614 9.862 -4.467 -10.617 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.648 -3.862 -11.618 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.504 -3.734 -9.469 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.069 -2.531 -11.482 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.931 -2.398 -9.322 1.00 0.00 C ATOM 583 CZ TYR A 614 10.718 -1.791 -10.332 1.00 0.00 C ATOM 584 OH TYR A 614 11.164 -0.507 -10.221 1.00 0.00 O ATOM 0 H TYR A 614 6.792 -6.584 -10.844 1.00 0.00 H new ATOM 0 HA TYR A 614 8.750 -5.469 -12.749 1.00 0.00 H new ATOM 0 HB2 TYR A 614 8.981 -6.258 -9.866 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.356 -6.519 -10.921 1.00 0.00 H new ATOM 0 HD1 TYR A 614 10.928 -4.427 -12.495 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.902 -4.196 -8.700 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.663 -2.071 -12.258 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.658 -1.838 -8.440 1.00 0.00 H new ATOM 0 HH TYR A 614 10.664 -0.047 -9.515 1.00 0.00 H new ATOM 594 N GLU A 615 7.725 -8.469 -12.413 1.00 0.00 N ATOM 595 CA GLU A 615 7.623 -9.691 -13.176 1.00 0.00 C ATOM 596 C GLU A 615 7.632 -9.317 -14.652 1.00 0.00 C ATOM 597 O GLU A 615 8.607 -9.624 -15.339 1.00 0.00 O ATOM 598 CB GLU A 615 6.362 -10.474 -12.793 1.00 0.00 C ATOM 599 CG GLU A 615 6.615 -11.603 -11.784 1.00 0.00 C ATOM 600 CD GLU A 615 5.326 -12.339 -11.399 1.00 0.00 C ATOM 601 OE1 GLU A 615 4.305 -11.665 -11.137 1.00 0.00 O ATOM 602 OE2 GLU A 615 5.383 -13.588 -11.330 1.00 0.00 O ATOM 0 H GLU A 615 6.966 -8.349 -11.742 1.00 0.00 H new ATOM 0 HA GLU A 615 8.466 -10.347 -12.960 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.630 -9.783 -12.375 1.00 0.00 H new ATOM 0 HB3 GLU A 615 5.921 -10.898 -13.695 1.00 0.00 H new ATOM 0 HG2 GLU A 615 7.324 -12.314 -12.208 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.076 -11.189 -10.887 1.00 0.00 H new ATOM 609 N ASP A 616 6.593 -8.637 -15.140 1.00 0.00 N ATOM 610 CA ASP A 616 6.393 -8.406 -16.571 1.00 0.00 C ATOM 611 C ASP A 616 7.525 -7.567 -17.171 1.00 0.00 C ATOM 612 O ASP A 616 7.839 -7.695 -18.350 1.00 0.00 O ATOM 613 CB ASP A 616 5.032 -7.735 -16.793 1.00 0.00 C ATOM 614 CG ASP A 616 4.613 -7.795 -18.264 1.00 0.00 C ATOM 615 OD1 ASP A 616 4.550 -8.930 -18.787 1.00 0.00 O ATOM 616 OD2 ASP A 616 4.316 -6.718 -18.827 1.00 0.00 O ATOM 0 H ASP A 616 5.865 -8.230 -14.552 1.00 0.00 H new ATOM 0 HA ASP A 616 6.407 -9.368 -17.084 1.00 0.00 H new ATOM 0 HB2 ASP A 616 4.278 -8.226 -16.178 1.00 0.00 H new ATOM 0 HB3 ASP A 616 5.080 -6.695 -16.469 1.00 0.00 H new ATOM 621 N ASP A 617 8.212 -6.796 -16.324 1.00 0.00 N ATOM 622 CA ASP A 617 9.326 -5.932 -16.690 1.00 0.00 C ATOM 623 C ASP A 617 10.572 -6.743 -17.042 1.00 0.00 C ATOM 624 O ASP A 617 11.403 -6.324 -17.844 1.00 0.00 O ATOM 625 CB ASP A 617 9.604 -5.036 -15.489 1.00 0.00 C ATOM 626 CG ASP A 617 10.640 -3.944 -15.760 1.00 0.00 C ATOM 627 OD1 ASP A 617 10.442 -3.185 -16.734 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.597 -3.866 -14.956 1.00 0.00 O ATOM 0 H ASP A 617 7.996 -6.759 -15.328 1.00 0.00 H new ATOM 0 HA ASP A 617 9.071 -5.347 -17.573 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.671 -4.569 -15.173 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.949 -5.653 -14.659 1.00 0.00 H new ATOM 633 N TYR A 618 10.663 -7.945 -16.470 1.00 0.00 N ATOM 634 CA TYR A 618 11.715 -8.915 -16.713 1.00 0.00 C ATOM 635 C TYR A 618 11.155 -10.145 -17.437 1.00 0.00 C ATOM 636 O TYR A 618 11.899 -11.080 -17.745 1.00 0.00 O ATOM 637 CB TYR A 618 12.364 -9.241 -15.365 1.00 0.00 C ATOM 638 CG TYR A 618 13.376 -8.196 -14.931 1.00 0.00 C ATOM 639 CD1 TYR A 618 12.947 -6.971 -14.387 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.752 -8.420 -15.142 1.00 0.00 C ATOM 641 CE1 TYR A 618 13.879 -5.966 -14.077 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.693 -7.423 -14.825 1.00 0.00 C ATOM 643 CZ TYR A 618 15.256 -6.184 -14.299 1.00 0.00 C ATOM 644 OH TYR A 618 16.154 -5.206 -13.989 1.00 0.00 O ATOM 0 H TYR A 618 9.972 -8.277 -15.797 1.00 0.00 H new ATOM 0 HA TYR A 618 12.482 -8.515 -17.376 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.588 -9.326 -14.604 1.00 0.00 H new ATOM 0 HB3 TYR A 618 12.856 -10.212 -15.429 1.00 0.00 H new ATOM 0 HD1 TYR A 618 11.896 -6.802 -14.207 1.00 0.00 H new ATOM 0 HD2 TYR A 618 15.086 -9.363 -15.550 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.541 -5.025 -13.668 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.746 -7.603 -14.983 1.00 0.00 H new ATOM 0 HH TYR A 618 17.060 -5.514 -14.201 1.00 0.00 H new ATOM 654 N GLY A 619 9.850 -10.156 -17.720 1.00 0.00 N ATOM 655 CA GLY A 619 9.180 -11.292 -18.341 1.00 0.00 C ATOM 656 C GLY A 619 9.074 -12.429 -17.338 1.00 0.00 C ATOM 657 O GLY A 619 9.632 -13.508 -17.528 1.00 0.00 O ATOM 0 H GLY A 619 9.229 -9.371 -17.522 1.00 0.00 H new ATOM 0 HA2 GLY A 619 8.187 -11.000 -18.682 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.735 -11.619 -19.220 1.00 0.00 H new ATOM 661 N GLY A 620 8.394 -12.139 -16.236 1.00 0.00 N ATOM 662 CA GLY A 620 8.031 -13.041 -15.167 1.00 0.00 C ATOM 663 C GLY A 620 9.113 -13.230 -14.103 1.00 0.00 C ATOM 664 O GLY A 620 9.169 -14.315 -13.527 1.00 0.00 O ATOM 0 H GLY A 620 8.059 -11.192 -16.060 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.127 -12.669 -14.686 1.00 0.00 H new ATOM 0 HA3 GLY A 620 7.787 -14.013 -15.596 1.00 0.00 H new ATOM 668 N ARG A 621 9.999 -12.238 -13.879 1.00 0.00 N ATOM 669 CA ARG A 621 11.231 -12.471 -13.108 1.00 0.00 C ATOM 670 C ARG A 621 11.593 -11.491 -11.977 1.00 0.00 C ATOM 671 O ARG A 621 12.593 -11.747 -11.318 1.00 0.00 O ATOM 672 CB ARG A 621 12.418 -12.641 -14.081 1.00 0.00 C ATOM 673 CG ARG A 621 12.909 -14.089 -14.246 1.00 0.00 C ATOM 674 CD ARG A 621 12.109 -14.923 -15.260 1.00 0.00 C ATOM 675 NE ARG A 621 12.128 -14.316 -16.603 1.00 0.00 N ATOM 676 CZ ARG A 621 13.152 -14.275 -17.463 1.00 0.00 C ATOM 677 NH1 ARG A 621 14.192 -15.099 -17.326 1.00 0.00 N ATOM 678 NH2 ARG A 621 13.138 -13.388 -18.453 1.00 0.00 N ATOM 0 H ARG A 621 9.885 -11.282 -14.217 1.00 0.00 H new ATOM 0 HA ARG A 621 11.009 -13.381 -12.551 1.00 0.00 H new ATOM 0 HB2 ARG A 621 12.127 -12.256 -15.059 1.00 0.00 H new ATOM 0 HB3 ARG A 621 13.248 -12.027 -13.731 1.00 0.00 H new ATOM 0 HG2 ARG A 621 13.955 -14.072 -14.554 1.00 0.00 H new ATOM 0 HG3 ARG A 621 12.870 -14.585 -13.276 1.00 0.00 H new ATOM 0 HD2 ARG A 621 12.523 -15.930 -15.310 1.00 0.00 H new ATOM 0 HD3 ARG A 621 11.078 -15.019 -14.919 1.00 0.00 H new ATOM 0 HE ARG A 621 11.261 -13.877 -16.912 1.00 0.00 H new ATOM 0 HH11 ARG A 621 14.213 -15.771 -16.559 1.00 0.00 H new ATOM 0 HH12 ARG A 621 14.966 -15.057 -17.989 1.00 0.00 H new ATOM 0 HH21 ARG A 621 12.351 -12.746 -18.552 1.00 0.00 H new ATOM 0 HH22 ARG A 621 13.914 -13.349 -19.114 1.00 0.00 H new ATOM 692 N ALA A 622 10.847 -10.406 -11.746 1.00 0.00 N ATOM 693 CA ALA A 622 10.907 -9.501 -10.589 1.00 0.00 C ATOM 694 C ALA A 622 12.186 -9.577 -9.717 1.00 0.00 C ATOM 695 O ALA A 622 12.214 -10.331 -8.742 1.00 0.00 O ATOM 696 CB ALA A 622 9.653 -9.704 -9.735 1.00 0.00 C ATOM 0 H ALA A 622 10.131 -10.114 -12.411 1.00 0.00 H new ATOM 0 HA ALA A 622 10.951 -8.496 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.688 -9.037 -8.874 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.767 -9.482 -10.330 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.610 -10.738 -9.392 1.00 0.00 H new ATOM 702 N PRO A 623 13.253 -8.815 -10.023 1.00 0.00 N ATOM 703 CA PRO A 623 14.522 -8.895 -9.306 1.00 0.00 C ATOM 704 C PRO A 623 14.372 -8.550 -7.818 1.00 0.00 C ATOM 705 O PRO A 623 13.932 -7.455 -7.451 1.00 0.00 O ATOM 706 CB PRO A 623 15.486 -7.954 -10.029 1.00 0.00 C ATOM 707 CG PRO A 623 14.553 -6.996 -10.756 1.00 0.00 C ATOM 708 CD PRO A 623 13.349 -7.851 -11.103 1.00 0.00 C ATOM 0 HA PRO A 623 14.906 -9.915 -9.312 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.138 -7.430 -9.330 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.131 -8.493 -10.723 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.275 -6.153 -10.124 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.021 -6.584 -11.650 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.444 -7.248 -11.176 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.480 -8.347 -12.065 1.00 0.00 H new ATOM 716 N THR A 624 14.793 -9.480 -6.959 1.00 0.00 N ATOM 717 CA THR A 624 14.663 -9.442 -5.510 1.00 0.00 C ATOM 718 C THR A 624 15.397 -8.222 -4.953 1.00 0.00 C ATOM 719 O THR A 624 14.911 -7.566 -4.033 1.00 0.00 O ATOM 720 CB THR A 624 15.211 -10.769 -4.938 1.00 0.00 C ATOM 721 OG1 THR A 624 14.674 -11.844 -5.683 1.00 0.00 O ATOM 722 CG2 THR A 624 14.845 -10.939 -3.467 1.00 0.00 C ATOM 0 H THR A 624 15.261 -10.328 -7.280 1.00 0.00 H new ATOM 0 HA THR A 624 13.618 -9.344 -5.215 1.00 0.00 H new ATOM 0 HB THR A 624 16.298 -10.754 -5.013 1.00 0.00 H new ATOM 0 HG1 THR A 624 15.195 -12.655 -5.508 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.247 -11.883 -3.099 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.266 -10.116 -2.890 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.760 -10.940 -3.360 1.00 0.00 H new ATOM 730 N ASN A 625 16.538 -7.870 -5.559 1.00 0.00 N ATOM 731 CA ASN A 625 17.292 -6.689 -5.173 1.00 0.00 C ATOM 732 C ASN A 625 16.456 -5.417 -5.318 1.00 0.00 C ATOM 733 O ASN A 625 16.490 -4.547 -4.442 1.00 0.00 O ATOM 734 CB ASN A 625 18.562 -6.559 -6.024 1.00 0.00 C ATOM 735 CG ASN A 625 19.298 -5.251 -5.737 1.00 0.00 C ATOM 736 OD1 ASN A 625 19.442 -4.419 -6.622 1.00 0.00 O ATOM 737 ND2 ASN A 625 19.756 -5.033 -4.511 1.00 0.00 N ATOM 0 H ASN A 625 16.956 -8.398 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 625 17.565 -6.808 -4.124 1.00 0.00 H new ATOM 0 HB2 ASN A 625 19.224 -7.402 -5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 625 18.299 -6.605 -7.081 1.00 0.00 H new ATOM 0 HD21 ASN A 625 20.237 -4.160 -4.294 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.627 -5.738 -3.785 1.00 0.00 H new ATOM 744 N ILE A 626 15.728 -5.303 -6.432 1.00 0.00 N ATOM 745 CA ILE A 626 14.962 -4.115 -6.749 1.00 0.00 C ATOM 746 C ILE A 626 13.754 -4.065 -5.824 1.00 0.00 C ATOM 747 O ILE A 626 13.555 -3.034 -5.201 1.00 0.00 O ATOM 748 CB ILE A 626 14.585 -4.105 -8.238 1.00 0.00 C ATOM 749 CG1 ILE A 626 15.818 -4.190 -9.173 1.00 0.00 C ATOM 750 CG2 ILE A 626 13.731 -2.882 -8.572 1.00 0.00 C ATOM 751 CD1 ILE A 626 16.835 -3.048 -9.035 1.00 0.00 C ATOM 0 H ILE A 626 15.659 -6.039 -7.135 1.00 0.00 H new ATOM 0 HA ILE A 626 15.551 -3.213 -6.584 1.00 0.00 H new ATOM 0 HB ILE A 626 13.997 -5.005 -8.418 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.330 -5.133 -8.984 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.468 -4.218 -10.205 1.00 0.00 H new ATOM 0 HG21 ILE A 626 13.475 -2.895 -9.632 1.00 0.00 H new ATOM 0 HG22 ILE A 626 12.817 -2.903 -7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.290 -1.975 -8.345 1.00 0.00 H new ATOM 0 HD11 ILE A 626 17.656 -3.206 -9.734 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.348 -2.098 -9.256 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.224 -3.028 -8.017 1.00 0.00 H new ATOM 763 N LEU A 627 13.016 -5.173 -5.669 1.00 0.00 N ATOM 764 CA LEU A 627 11.943 -5.339 -4.682 1.00 0.00 C ATOM 765 C LEU A 627 12.358 -4.794 -3.316 1.00 0.00 C ATOM 766 O LEU A 627 11.649 -3.962 -2.757 1.00 0.00 O ATOM 767 CB LEU A 627 11.613 -6.839 -4.582 1.00 0.00 C ATOM 768 CG LEU A 627 10.514 -7.232 -5.577 1.00 0.00 C ATOM 769 CD1 LEU A 627 10.718 -8.633 -6.145 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.179 -7.183 -4.845 1.00 0.00 C ATOM 0 H LEU A 627 13.155 -6.003 -6.245 1.00 0.00 H new ATOM 0 HA LEU A 627 11.065 -4.777 -5.001 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.511 -7.425 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.291 -7.077 -3.568 1.00 0.00 H new ATOM 0 HG LEU A 627 10.543 -6.535 -6.414 1.00 0.00 H new ATOM 0 HD11 LEU A 627 9.914 -8.863 -6.844 1.00 0.00 H new ATOM 0 HD12 LEU A 627 11.675 -8.679 -6.665 1.00 0.00 H new ATOM 0 HD13 LEU A 627 10.712 -9.360 -5.332 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.378 -7.459 -5.531 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.197 -7.881 -4.008 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.006 -6.174 -4.472 1.00 0.00 H new ATOM 782 N ILE A 628 13.498 -5.246 -2.783 1.00 0.00 N ATOM 783 CA ILE A 628 13.998 -4.808 -1.477 1.00 0.00 C ATOM 784 C ILE A 628 14.236 -3.294 -1.510 1.00 0.00 C ATOM 785 O ILE A 628 13.632 -2.553 -0.725 1.00 0.00 O ATOM 786 CB ILE A 628 15.245 -5.636 -1.078 1.00 0.00 C ATOM 787 CG1 ILE A 628 14.855 -7.113 -0.828 1.00 0.00 C ATOM 788 CG2 ILE A 628 15.917 -5.096 0.196 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.059 -8.064 -0.810 1.00 0.00 C ATOM 0 H ILE A 628 14.100 -5.927 -3.246 1.00 0.00 H new ATOM 0 HA ILE A 628 13.260 -4.992 -0.696 1.00 0.00 H new ATOM 0 HB ILE A 628 15.948 -5.558 -1.908 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.329 -7.186 0.124 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.159 -7.434 -1.603 1.00 0.00 H new ATOM 0 HG21 ILE A 628 16.786 -5.708 0.436 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.233 -4.066 0.032 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.209 -5.131 1.024 1.00 0.00 H new ATOM 0 HD11 ILE A 628 15.715 -9.083 -0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.573 -8.019 -1.770 1.00 0.00 H new ATOM 0 HD13 ILE A 628 16.745 -7.767 -0.017 1.00 0.00 H new ATOM 801 N THR A 629 15.089 -2.852 -2.439 1.00 0.00 N ATOM 802 CA THR A 629 15.517 -1.465 -2.586 1.00 0.00 C ATOM 803 C THR A 629 14.295 -0.542 -2.671 1.00 0.00 C ATOM 804 O THR A 629 14.162 0.389 -1.881 1.00 0.00 O ATOM 805 CB THR A 629 16.436 -1.347 -3.819 1.00 0.00 C ATOM 806 OG1 THR A 629 17.490 -2.291 -3.748 1.00 0.00 O ATOM 807 CG2 THR A 629 17.064 0.044 -3.936 1.00 0.00 C ATOM 0 H THR A 629 15.512 -3.472 -3.129 1.00 0.00 H new ATOM 0 HA THR A 629 16.089 -1.150 -1.713 1.00 0.00 H new ATOM 0 HB THR A 629 15.807 -1.534 -4.690 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.300 -3.040 -4.351 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.703 0.082 -4.818 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.277 0.792 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.660 0.250 -3.047 1.00 0.00 H new ATOM 815 N GLU A 630 13.372 -0.844 -3.586 1.00 0.00 N ATOM 816 CA GLU A 630 12.123 -0.134 -3.801 1.00 0.00 C ATOM 817 C GLU A 630 11.275 -0.135 -2.537 1.00 0.00 C ATOM 818 O GLU A 630 10.791 0.918 -2.150 1.00 0.00 O ATOM 819 CB GLU A 630 11.354 -0.798 -4.946 1.00 0.00 C ATOM 820 CG GLU A 630 11.900 -0.443 -6.334 1.00 0.00 C ATOM 821 CD GLU A 630 11.117 0.714 -6.957 1.00 0.00 C ATOM 822 OE1 GLU A 630 10.780 1.679 -6.237 1.00 0.00 O ATOM 823 OE2 GLU A 630 10.708 0.574 -8.134 1.00 0.00 O ATOM 0 H GLU A 630 13.487 -1.630 -4.226 1.00 0.00 H new ATOM 0 HA GLU A 630 12.347 0.901 -4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.387 -1.880 -4.817 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.306 -0.502 -4.890 1.00 0.00 H new ATOM 0 HG2 GLU A 630 12.953 -0.172 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.843 -1.316 -6.984 1.00 0.00 H new ATOM 830 N MET A 631 11.098 -1.265 -1.848 1.00 0.00 N ATOM 831 CA MET A 631 10.322 -1.273 -0.611 1.00 0.00 C ATOM 832 C MET A 631 10.911 -0.311 0.440 1.00 0.00 C ATOM 833 O MET A 631 10.138 0.367 1.128 1.00 0.00 O ATOM 834 CB MET A 631 10.245 -2.695 -0.059 1.00 0.00 C ATOM 835 CG MET A 631 9.303 -3.656 -0.803 1.00 0.00 C ATOM 836 SD MET A 631 7.523 -3.517 -0.484 1.00 0.00 S ATOM 837 CE MET A 631 7.457 -3.918 1.277 1.00 0.00 C ATOM 0 H MET A 631 11.476 -2.172 -2.122 1.00 0.00 H new ATOM 0 HA MET A 631 9.316 -0.921 -0.840 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.248 -3.122 -0.067 1.00 0.00 H new ATOM 0 HB3 MET A 631 9.930 -2.643 0.983 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.463 -3.519 -1.873 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.607 -4.675 -0.563 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.685 -4.667 1.451 1.00 0.00 H new ATOM 0 HE2 MET A 631 8.422 -4.310 1.597 1.00 0.00 H new ATOM 0 HE3 MET A 631 7.224 -3.018 1.847 1.00 0.00 H new ATOM 847 N MET A 632 12.247 -0.191 0.558 1.00 0.00 N ATOM 848 CA MET A 632 12.834 0.808 1.457 1.00 0.00 C ATOM 849 C MET A 632 12.602 2.223 0.926 1.00 0.00 C ATOM 850 O MET A 632 12.436 3.147 1.715 1.00 0.00 O ATOM 851 CB MET A 632 14.343 0.616 1.719 1.00 0.00 C ATOM 852 CG MET A 632 14.948 -0.728 1.303 1.00 0.00 C ATOM 853 SD MET A 632 16.714 -0.956 1.635 1.00 0.00 S ATOM 854 CE MET A 632 16.716 -0.663 3.413 1.00 0.00 C ATOM 0 H MET A 632 12.924 -0.762 0.052 1.00 0.00 H new ATOM 0 HA MET A 632 12.322 0.664 2.408 1.00 0.00 H new ATOM 0 HB2 MET A 632 14.882 1.407 1.198 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.524 0.755 2.785 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.400 -1.521 1.812 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.782 -0.861 0.234 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.456 -1.308 3.887 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.965 0.380 3.610 1.00 0.00 H new ATOM 0 HE3 MET A 632 15.729 -0.884 3.819 1.00 0.00 H new ATOM 864 N ASP A 633 12.582 2.400 -0.393 1.00 0.00 N ATOM 865 CA ASP A 633 12.517 3.708 -1.029 1.00 0.00 C ATOM 866 C ASP A 633 11.113 4.272 -0.897 1.00 0.00 C ATOM 867 O ASP A 633 10.896 5.412 -0.493 1.00 0.00 O ATOM 868 CB ASP A 633 12.871 3.553 -2.513 1.00 0.00 C ATOM 869 CG ASP A 633 13.447 4.858 -3.063 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.629 5.131 -2.758 1.00 0.00 O ATOM 871 OD2 ASP A 633 12.695 5.570 -3.765 1.00 0.00 O ATOM 0 H ASP A 633 12.611 1.626 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 633 13.220 4.388 -0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 633 13.594 2.747 -2.639 1.00 0.00 H new ATOM 0 HB3 ASP A 633 11.982 3.274 -3.078 1.00 0.00 H new ATOM 876 N ARG A 634 10.153 3.414 -1.233 1.00 0.00 N ATOM 877 CA ARG A 634 8.751 3.738 -1.332 1.00 0.00 C ATOM 878 C ARG A 634 8.108 3.753 0.049 1.00 0.00 C ATOM 879 O ARG A 634 7.187 4.538 0.270 1.00 0.00 O ATOM 880 CB ARG A 634 8.088 2.674 -2.212 1.00 0.00 C ATOM 881 CG ARG A 634 8.567 2.646 -3.675 1.00 0.00 C ATOM 882 CD ARG A 634 7.622 1.730 -4.465 1.00 0.00 C ATOM 883 NE ARG A 634 8.115 1.440 -5.817 1.00 0.00 N ATOM 884 CZ ARG A 634 7.467 0.745 -6.763 1.00 0.00 C ATOM 885 NH1 ARG A 634 6.235 0.276 -6.553 1.00 0.00 N ATOM 886 NH2 ARG A 634 8.053 0.496 -7.924 1.00 0.00 N ATOM 0 H ARG A 634 10.349 2.437 -1.451 1.00 0.00 H new ATOM 0 HA ARG A 634 8.623 4.729 -1.768 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.267 1.695 -1.768 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.010 2.836 -2.202 1.00 0.00 H new ATOM 0 HG2 ARG A 634 8.564 3.651 -4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 634 9.592 2.279 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 634 7.491 0.794 -3.922 1.00 0.00 H new ATOM 0 HD3 ARG A 634 6.640 2.199 -4.533 1.00 0.00 H new ATOM 0 HE ARG A 634 9.037 1.801 -6.060 1.00 0.00 H new ATOM 0 HH11 ARG A 634 5.770 0.444 -5.661 1.00 0.00 H new ATOM 0 HH12 ARG A 634 5.758 -0.251 -7.285 1.00 0.00 H new ATOM 0 HH21 ARG A 634 8.999 0.833 -8.100 1.00 0.00 H new ATOM 0 HH22 ARG A 634 7.558 -0.033 -8.642 1.00 0.00 H new ATOM 900 N TYR A 635 8.547 2.872 0.963 1.00 0.00 N ATOM 901 CA TYR A 635 7.802 2.585 2.186 1.00 0.00 C ATOM 902 C TYR A 635 8.669 2.547 3.450 1.00 0.00 C ATOM 903 O TYR A 635 8.140 2.310 4.536 1.00 0.00 O ATOM 904 CB TYR A 635 7.068 1.251 2.022 1.00 0.00 C ATOM 905 CG TYR A 635 6.400 0.985 0.680 1.00 0.00 C ATOM 906 CD1 TYR A 635 5.412 1.844 0.156 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.802 -0.139 -0.061 1.00 0.00 C ATOM 908 CE1 TYR A 635 4.848 1.583 -1.109 1.00 0.00 C ATOM 909 CE2 TYR A 635 6.256 -0.398 -1.329 1.00 0.00 C ATOM 910 CZ TYR A 635 5.273 0.463 -1.861 1.00 0.00 C ATOM 911 OH TYR A 635 4.737 0.206 -3.088 1.00 0.00 O ATOM 0 H TYR A 635 9.417 2.348 0.872 1.00 0.00 H new ATOM 0 HA TYR A 635 7.101 3.407 2.327 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.781 0.448 2.210 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.305 1.188 2.798 1.00 0.00 H new ATOM 0 HD1 TYR A 635 5.087 2.703 0.725 1.00 0.00 H new ATOM 0 HD2 TYR A 635 7.540 -0.812 0.349 1.00 0.00 H new ATOM 0 HE1 TYR A 635 4.089 2.241 -1.506 1.00 0.00 H new ATOM 0 HE2 TYR A 635 6.588 -1.255 -1.896 1.00 0.00 H new ATOM 0 HH TYR A 635 4.471 1.049 -3.512 1.00 0.00 H new ATOM 921 N ASN A 636 9.982 2.776 3.326 1.00 0.00 N ATOM 922 CA ASN A 636 10.961 2.755 4.422 1.00 0.00 C ATOM 923 C ASN A 636 11.000 1.394 5.146 1.00 0.00 C ATOM 924 O ASN A 636 11.352 1.322 6.326 1.00 0.00 O ATOM 925 CB ASN A 636 10.730 3.964 5.350 1.00 0.00 C ATOM 926 CG ASN A 636 11.992 4.457 6.063 1.00 0.00 C ATOM 927 OD1 ASN A 636 12.384 5.608 5.918 1.00 0.00 O ATOM 928 ND2 ASN A 636 12.643 3.622 6.857 1.00 0.00 N ATOM 0 H ASN A 636 10.409 2.989 2.425 1.00 0.00 H new ATOM 0 HA ASN A 636 11.964 2.862 4.009 1.00 0.00 H new ATOM 0 HB2 ASN A 636 10.314 4.783 4.764 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.984 3.696 6.099 1.00 0.00 H new ATOM 0 HD21 ASN A 636 13.477 3.936 7.353 1.00 0.00 H new ATOM 0 HD22 ASN A 636 12.311 2.665 6.973 1.00 0.00 H new ATOM 935 N VAL A 637 10.641 0.302 4.460 1.00 0.00 N ATOM 936 CA VAL A 637 10.710 -1.037 5.036 1.00 0.00 C ATOM 937 C VAL A 637 12.172 -1.470 4.910 1.00 0.00 C ATOM 938 O VAL A 637 12.715 -1.510 3.807 1.00 0.00 O ATOM 939 CB VAL A 637 9.718 -1.964 4.312 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.741 -3.401 4.837 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.272 -1.470 4.488 1.00 0.00 C ATOM 0 H VAL A 637 10.298 0.325 3.500 1.00 0.00 H new ATOM 0 HA VAL A 637 10.418 -1.073 6.086 1.00 0.00 H new ATOM 0 HB VAL A 637 10.033 -1.947 3.269 1.00 0.00 H new ATOM 0 HG11 VAL A 637 9.019 -4.002 4.284 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.738 -3.820 4.706 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.482 -3.406 5.896 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.592 -2.143 3.966 1.00 0.00 H new ATOM 0 HG22 VAL A 637 8.021 -1.450 5.548 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.178 -0.466 4.074 1.00 0.00 H new ATOM 951 N SER A 638 12.822 -1.735 6.045 1.00 0.00 N ATOM 952 CA SER A 638 14.216 -2.127 6.136 1.00 0.00 C ATOM 953 C SER A 638 14.417 -3.428 5.368 1.00 0.00 C ATOM 954 O SER A 638 13.494 -4.235 5.293 1.00 0.00 O ATOM 955 CB SER A 638 14.585 -2.329 7.612 1.00 0.00 C ATOM 956 OG SER A 638 14.128 -1.245 8.397 1.00 0.00 O ATOM 0 H SER A 638 12.368 -1.678 6.957 1.00 0.00 H new ATOM 0 HA SER A 638 14.853 -1.353 5.708 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.147 -3.258 7.977 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.666 -2.425 7.711 1.00 0.00 H new ATOM 0 HG SER A 638 14.372 -1.394 9.334 1.00 0.00 H new ATOM 962 N GLU A 639 15.630 -3.679 4.876 1.00 0.00 N ATOM 963 CA GLU A 639 15.945 -4.863 4.083 1.00 0.00 C ATOM 964 C GLU A 639 15.515 -6.149 4.796 1.00 0.00 C ATOM 965 O GLU A 639 14.877 -6.991 4.173 1.00 0.00 O ATOM 966 CB GLU A 639 17.438 -4.833 3.724 1.00 0.00 C ATOM 967 CG GLU A 639 17.950 -6.161 3.151 1.00 0.00 C ATOM 968 CD GLU A 639 19.330 -5.998 2.510 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.301 -5.830 3.281 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.393 -6.036 1.261 1.00 0.00 O ATOM 0 H GLU A 639 16.428 -3.059 5.019 1.00 0.00 H new ATOM 0 HA GLU A 639 15.375 -4.853 3.154 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.614 -4.040 2.998 1.00 0.00 H new ATOM 0 HB3 GLU A 639 18.014 -4.583 4.615 1.00 0.00 H new ATOM 0 HG2 GLU A 639 18.002 -6.906 3.945 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.244 -6.535 2.409 1.00 0.00 H new ATOM 977 N GLU A 640 15.756 -6.239 6.109 1.00 0.00 N ATOM 978 CA GLU A 640 15.295 -7.325 6.980 1.00 0.00 C ATOM 979 C GLU A 640 13.777 -7.469 6.882 1.00 0.00 C ATOM 980 O GLU A 640 13.228 -8.557 6.684 1.00 0.00 O ATOM 981 CB GLU A 640 15.750 -7.017 8.402 1.00 0.00 C ATOM 982 CG GLU A 640 15.057 -7.937 9.420 1.00 0.00 C ATOM 983 CD GLU A 640 13.801 -7.322 10.072 1.00 0.00 C ATOM 984 OE1 GLU A 640 13.808 -6.101 10.338 1.00 0.00 O ATOM 985 OE2 GLU A 640 12.806 -8.061 10.279 1.00 0.00 O ATOM 0 H GLU A 640 16.296 -5.534 6.611 1.00 0.00 H new ATOM 0 HA GLU A 640 15.723 -8.279 6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.831 -7.139 8.475 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.530 -5.976 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 640 14.777 -8.866 8.923 1.00 0.00 H new ATOM 0 HG3 GLU A 640 15.770 -8.197 10.203 1.00 0.00 H new ATOM 992 N LYS A 641 13.104 -6.332 7.041 1.00 0.00 N ATOM 993 CA LYS A 641 11.672 -6.246 7.172 1.00 0.00 C ATOM 994 C LYS A 641 10.968 -6.491 5.832 1.00 0.00 C ATOM 995 O LYS A 641 9.768 -6.757 5.846 1.00 0.00 O ATOM 996 CB LYS A 641 11.324 -4.873 7.789 1.00 0.00 C ATOM 997 CG LYS A 641 10.113 -4.713 8.699 1.00 0.00 C ATOM 998 CD LYS A 641 10.305 -5.489 9.991 1.00 0.00 C ATOM 999 CE LYS A 641 9.728 -6.867 9.732 1.00 0.00 C ATOM 1000 NZ LYS A 641 10.169 -7.871 10.715 1.00 0.00 N ATOM 0 H LYS A 641 13.565 -5.423 7.082 1.00 0.00 H new ATOM 0 HA LYS A 641 11.309 -7.031 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 641 12.196 -4.546 8.355 1.00 0.00 H new ATOM 0 HB3 LYS A 641 11.199 -4.173 6.963 1.00 0.00 H new ATOM 0 HG2 LYS A 641 9.957 -3.658 8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 641 9.218 -5.066 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 641 11.360 -5.550 10.258 1.00 0.00 H new ATOM 0 HD3 LYS A 641 9.794 -5.000 10.821 1.00 0.00 H new ATOM 0 HE2 LYS A 641 8.640 -6.807 9.746 1.00 0.00 H new ATOM 0 HE3 LYS A 641 10.017 -7.194 8.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 9.930 -8.823 10.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 11.198 -7.799 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 9.691 -7.701 11.623 1.00 0.00 H new ATOM 1014 N VAL A 642 11.690 -6.416 4.705 1.00 0.00 N ATOM 1015 CA VAL A 642 11.261 -6.928 3.404 1.00 0.00 C ATOM 1016 C VAL A 642 11.617 -8.403 3.277 1.00 0.00 C ATOM 1017 O VAL A 642 10.786 -9.170 2.799 1.00 0.00 O ATOM 1018 CB VAL A 642 11.913 -6.152 2.234 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.245 -6.560 0.915 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.805 -4.628 2.327 1.00 0.00 C ATOM 0 H VAL A 642 12.614 -5.985 4.677 1.00 0.00 H new ATOM 0 HA VAL A 642 10.181 -6.794 3.347 1.00 0.00 H new ATOM 0 HB VAL A 642 12.970 -6.412 2.283 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.704 -6.014 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.375 -7.631 0.758 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.181 -6.326 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.291 -4.175 1.463 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.754 -4.338 2.346 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.293 -4.284 3.239 1.00 0.00 H new ATOM 1030 N GLU A 643 12.817 -8.820 3.688 1.00 0.00 N ATOM 1031 CA GLU A 643 13.271 -10.198 3.548 1.00 0.00 C ATOM 1032 C GLU A 643 12.291 -11.172 4.189 1.00 0.00 C ATOM 1033 O GLU A 643 11.966 -12.193 3.586 1.00 0.00 O ATOM 1034 CB GLU A 643 14.701 -10.351 4.093 1.00 0.00 C ATOM 1035 CG GLU A 643 15.657 -10.875 3.008 1.00 0.00 C ATOM 1036 CD GLU A 643 15.569 -12.397 2.802 1.00 0.00 C ATOM 1037 OE1 GLU A 643 15.153 -13.124 3.736 1.00 0.00 O ATOM 1038 OE2 GLU A 643 15.933 -12.880 1.708 1.00 0.00 O ATOM 0 H GLU A 643 13.501 -8.205 4.129 1.00 0.00 H new ATOM 0 HA GLU A 643 13.302 -10.449 2.488 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.057 -9.389 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 643 14.698 -11.036 4.941 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.435 -10.374 2.066 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.680 -10.610 3.276 1.00 0.00 H new ATOM 1045 N GLU A 644 11.715 -10.805 5.339 1.00 0.00 N ATOM 1046 CA GLU A 644 10.682 -11.628 5.962 1.00 0.00 C ATOM 1047 C GLU A 644 9.522 -11.874 4.992 1.00 0.00 C ATOM 1048 O GLU A 644 9.046 -13.000 4.874 1.00 0.00 O ATOM 1049 CB GLU A 644 10.207 -11.049 7.309 1.00 0.00 C ATOM 1050 CG GLU A 644 9.006 -10.088 7.210 1.00 0.00 C ATOM 1051 CD GLU A 644 8.449 -9.565 8.537 1.00 0.00 C ATOM 1052 OE1 GLU A 644 8.952 -9.952 9.615 1.00 0.00 O ATOM 1053 OE2 GLU A 644 7.525 -8.716 8.477 1.00 0.00 O ATOM 0 H GLU A 644 11.946 -9.953 5.850 1.00 0.00 H new ATOM 0 HA GLU A 644 11.127 -12.596 6.193 1.00 0.00 H new ATOM 0 HB2 GLU A 644 9.941 -11.874 7.970 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.039 -10.522 7.776 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.300 -9.233 6.601 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.202 -10.597 6.678 1.00 0.00 H new ATOM 1060 N LEU A 645 9.095 -10.828 4.274 1.00 0.00 N ATOM 1061 CA LEU A 645 7.971 -10.846 3.346 1.00 0.00 C ATOM 1062 C LEU A 645 8.280 -11.848 2.249 1.00 0.00 C ATOM 1063 O LEU A 645 7.451 -12.694 1.911 1.00 0.00 O ATOM 1064 CB LEU A 645 7.658 -9.454 2.769 1.00 0.00 C ATOM 1065 CG LEU A 645 7.712 -8.321 3.805 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.515 -6.972 3.119 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.689 -8.471 4.931 1.00 0.00 C ATOM 0 H LEU A 645 9.544 -9.914 4.330 1.00 0.00 H new ATOM 0 HA LEU A 645 7.071 -11.145 3.884 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.366 -9.236 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.666 -9.474 2.319 1.00 0.00 H new ATOM 0 HG LEU A 645 8.699 -8.378 4.264 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.555 -6.176 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.304 -6.820 2.382 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.545 -6.955 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.786 -7.635 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.683 -8.479 4.510 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.867 -9.406 5.462 1.00 0.00 H new ATOM 1079 N ILE A 646 9.515 -11.769 1.753 1.00 0.00 N ATOM 1080 CA ILE A 646 10.043 -12.654 0.739 1.00 0.00 C ATOM 1081 C ILE A 646 9.960 -14.089 1.259 1.00 0.00 C ATOM 1082 O ILE A 646 9.471 -14.953 0.537 1.00 0.00 O ATOM 1083 CB ILE A 646 11.467 -12.211 0.311 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.417 -10.754 -0.204 1.00 0.00 C ATOM 1085 CG2 ILE A 646 12.006 -13.180 -0.756 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.770 -10.106 -0.509 1.00 0.00 C ATOM 0 H ILE A 646 10.186 -11.065 2.060 1.00 0.00 H new ATOM 0 HA ILE A 646 9.449 -12.605 -0.174 1.00 0.00 H new ATOM 0 HB ILE A 646 12.147 -12.242 1.162 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.812 -10.730 -1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.903 -10.144 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 646 13.006 -12.870 -1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 646 12.048 -14.188 -0.344 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.346 -13.170 -1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.614 -9.087 -0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.377 -10.087 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.284 -10.682 -1.278 1.00 0.00 H new ATOM 1098 N ARG A 647 10.388 -14.372 2.497 1.00 0.00 N ATOM 1099 CA ARG A 647 10.434 -15.770 2.946 1.00 0.00 C ATOM 1100 C ARG A 647 9.026 -16.275 3.210 1.00 0.00 C ATOM 1101 O ARG A 647 8.667 -17.340 2.723 1.00 0.00 O ATOM 1102 CB ARG A 647 11.307 -15.985 4.202 1.00 0.00 C ATOM 1103 CG ARG A 647 12.586 -15.138 4.263 1.00 0.00 C ATOM 1104 CD ARG A 647 13.768 -15.833 4.952 1.00 0.00 C ATOM 1105 NE ARG A 647 14.358 -16.905 4.127 1.00 0.00 N ATOM 1106 CZ ARG A 647 15.199 -16.730 3.094 1.00 0.00 C ATOM 1107 NH1 ARG A 647 15.558 -15.516 2.690 1.00 0.00 N ATOM 1108 NH2 ARG A 647 15.687 -17.792 2.451 1.00 0.00 N ATOM 0 H ARG A 647 10.696 -13.682 3.182 1.00 0.00 H new ATOM 0 HA ARG A 647 10.899 -16.338 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 647 10.705 -15.769 5.085 1.00 0.00 H new ATOM 0 HB3 ARG A 647 11.585 -17.038 4.256 1.00 0.00 H new ATOM 0 HG2 ARG A 647 12.879 -14.869 3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 647 12.368 -14.209 4.789 1.00 0.00 H new ATOM 0 HD2 ARG A 647 14.535 -15.094 5.182 1.00 0.00 H new ATOM 0 HD3 ARG A 647 13.434 -16.252 5.901 1.00 0.00 H new ATOM 0 HE ARG A 647 14.105 -17.865 4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 647 15.194 -14.691 3.167 1.00 0.00 H new ATOM 0 HH12 ARG A 647 16.198 -15.409 1.903 1.00 0.00 H new ATOM 0 HH21 ARG A 647 15.421 -18.732 2.744 1.00 0.00 H new ATOM 0 HH22 ARG A 647 16.326 -17.664 1.666 1.00 0.00 H new ATOM 1122 N ILE A 648 8.226 -15.506 3.948 1.00 0.00 N ATOM 1123 CA ILE A 648 6.860 -15.860 4.324 1.00 0.00 C ATOM 1124 C ILE A 648 6.070 -16.207 3.066 1.00 0.00 C ATOM 1125 O ILE A 648 5.542 -17.315 2.957 1.00 0.00 O ATOM 1126 CB ILE A 648 6.219 -14.709 5.128 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.908 -14.573 6.509 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.710 -14.902 5.335 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.661 -13.216 7.177 1.00 0.00 C ATOM 0 H ILE A 648 8.518 -14.598 4.309 1.00 0.00 H new ATOM 0 HA ILE A 648 6.857 -16.737 4.971 1.00 0.00 H new ATOM 0 HB ILE A 648 6.361 -13.801 4.542 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.549 -15.365 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.981 -14.721 6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.311 -14.064 5.906 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.213 -14.950 4.366 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.533 -15.829 5.880 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.171 -13.186 8.140 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.045 -12.421 6.538 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.591 -13.074 7.328 1.00 0.00 H new ATOM 1141 N LEU A 649 5.989 -15.289 2.092 1.00 0.00 N ATOM 1142 CA LEU A 649 5.201 -15.557 0.908 1.00 0.00 C ATOM 1143 C LEU A 649 5.784 -16.703 0.058 1.00 0.00 C ATOM 1144 O LEU A 649 5.042 -17.364 -0.672 1.00 0.00 O ATOM 1145 CB LEU A 649 4.979 -14.270 0.096 1.00 0.00 C ATOM 1146 CG LEU A 649 3.921 -13.338 0.710 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.447 -12.368 1.768 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.246 -12.523 -0.403 1.00 0.00 C ATOM 0 H LEU A 649 6.451 -14.380 2.109 1.00 0.00 H new ATOM 0 HA LEU A 649 4.222 -15.907 1.237 1.00 0.00 H new ATOM 0 HB2 LEU A 649 5.924 -13.732 0.015 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.676 -14.535 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 649 3.221 -13.999 1.221 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.626 -11.755 2.140 1.00 0.00 H new ATOM 0 HD12 LEU A 649 4.882 -12.931 2.594 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.208 -11.725 1.326 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.496 -11.863 0.033 1.00 0.00 H new ATOM 0 HD22 LEU A 649 3.996 -11.927 -0.923 1.00 0.00 H new ATOM 0 HD23 LEU A 649 2.766 -13.200 -1.110 1.00 0.00 H new ATOM 1160 N LYS A 650 7.090 -16.971 0.168 1.00 0.00 N ATOM 1161 CA LYS A 650 7.748 -18.100 -0.513 1.00 0.00 C ATOM 1162 C LYS A 650 7.313 -19.414 0.113 1.00 0.00 C ATOM 1163 O LYS A 650 6.965 -20.366 -0.576 1.00 0.00 O ATOM 1164 CB LYS A 650 9.289 -18.004 -0.515 1.00 0.00 C ATOM 1165 CG LYS A 650 9.808 -17.110 -1.646 1.00 0.00 C ATOM 1166 CD LYS A 650 11.287 -16.745 -1.556 1.00 0.00 C ATOM 1167 CE LYS A 650 12.237 -17.935 -1.642 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.647 -17.488 -1.617 1.00 0.00 N ATOM 0 H LYS A 650 7.726 -16.410 0.734 1.00 0.00 H new ATOM 0 HA LYS A 650 7.431 -18.056 -1.555 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.629 -17.610 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.714 -19.002 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.631 -17.614 -2.596 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.223 -16.190 -1.659 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.526 -16.047 -2.358 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.463 -16.223 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 650 12.052 -18.614 -0.810 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.045 -18.494 -2.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.272 -18.316 -1.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 13.863 -16.971 -2.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.798 -16.862 -0.800 1.00 0.00 H new ATOM 1182 N ASP A 651 7.313 -19.426 1.437 1.00 0.00 N ATOM 1183 CA ASP A 651 7.024 -20.570 2.301 1.00 0.00 C ATOM 1184 C ASP A 651 5.582 -21.014 2.116 1.00 0.00 C ATOM 1185 O ASP A 651 5.273 -22.199 2.033 1.00 0.00 O ATOM 1186 CB ASP A 651 7.256 -20.150 3.752 1.00 0.00 C ATOM 1187 CG ASP A 651 7.257 -21.347 4.699 1.00 0.00 C ATOM 1188 OD1 ASP A 651 8.231 -22.128 4.622 1.00 0.00 O ATOM 1189 OD2 ASP A 651 6.301 -21.445 5.499 1.00 0.00 O ATOM 0 H ASP A 651 7.528 -18.586 1.975 1.00 0.00 H new ATOM 0 HA ASP A 651 7.677 -21.404 2.043 1.00 0.00 H new ATOM 0 HB2 ASP A 651 8.208 -19.625 3.830 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.479 -19.448 4.055 1.00 0.00 H new ATOM 1194 N LYS A 652 4.707 -20.019 1.960 1.00 0.00 N ATOM 1195 CA LYS A 652 3.300 -20.192 1.636 1.00 0.00 C ATOM 1196 C LYS A 652 3.083 -20.757 0.234 1.00 0.00 C ATOM 1197 O LYS A 652 1.954 -21.132 -0.075 1.00 0.00 O ATOM 1198 CB LYS A 652 2.627 -18.822 1.732 1.00 0.00 C ATOM 1199 CG LYS A 652 2.490 -18.362 3.187 1.00 0.00 C ATOM 1200 CD LYS A 652 2.336 -16.838 3.260 1.00 0.00 C ATOM 1201 CE LYS A 652 1.029 -16.395 3.930 1.00 0.00 C ATOM 1202 NZ LYS A 652 -0.167 -16.822 3.169 1.00 0.00 N ATOM 0 H LYS A 652 4.973 -19.039 2.060 1.00 0.00 H new ATOM 0 HA LYS A 652 2.872 -20.908 2.338 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.209 -18.090 1.172 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.641 -18.867 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 652 1.626 -18.842 3.646 1.00 0.00 H new ATOM 0 HG3 LYS A 652 3.367 -18.672 3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.179 -16.420 3.810 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.378 -16.426 2.252 1.00 0.00 H new ATOM 0 HE2 LYS A 652 0.982 -16.808 4.938 1.00 0.00 H new ATOM 0 HE3 LYS A 652 1.025 -15.310 4.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 -1.014 -16.374 3.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 -0.066 -16.537 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 -0.263 -17.856 3.225 1.00 0.00 H new ATOM 1216 N GLY A 653 4.105 -20.749 -0.632 1.00 0.00 N ATOM 1217 CA GLY A 653 3.916 -21.001 -2.050 1.00 0.00 C ATOM 1218 C GLY A 653 3.018 -19.938 -2.684 1.00 0.00 C ATOM 1219 O GLY A 653 2.320 -20.239 -3.646 1.00 0.00 O ATOM 0 H GLY A 653 5.073 -20.569 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.883 -21.011 -2.553 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.473 -21.987 -2.191 1.00 0.00 H new ATOM 1223 N ALA A 654 3.000 -18.712 -2.141 1.00 0.00 N ATOM 1224 CA ALA A 654 2.376 -17.573 -2.799 1.00 0.00 C ATOM 1225 C ALA A 654 3.343 -16.989 -3.830 1.00 0.00 C ATOM 1226 O ALA A 654 2.906 -16.540 -4.889 1.00 0.00 O ATOM 1227 CB ALA A 654 1.987 -16.516 -1.760 1.00 0.00 C ATOM 0 H ALA A 654 3.418 -18.491 -1.237 1.00 0.00 H new ATOM 0 HA ALA A 654 1.470 -17.898 -3.311 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.521 -15.668 -2.261 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.284 -16.948 -1.048 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.879 -16.180 -1.231 1.00 0.00 H new ATOM 1233 N ILE A 655 4.651 -17.008 -3.544 1.00 0.00 N ATOM 1234 CA ILE A 655 5.679 -16.588 -4.487 1.00 0.00 C ATOM 1235 C ILE A 655 6.764 -17.647 -4.537 1.00 0.00 C ATOM 1236 O ILE A 655 6.744 -18.625 -3.787 1.00 0.00 O ATOM 1237 CB ILE A 655 6.217 -15.179 -4.161 1.00 0.00 C ATOM 1238 CG1 ILE A 655 6.925 -15.141 -2.806 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.054 -14.192 -4.218 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.666 -13.838 -2.489 1.00 0.00 C ATOM 0 H ILE A 655 5.021 -17.318 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 655 5.247 -16.500 -5.484 1.00 0.00 H new ATOM 0 HB ILE A 655 6.968 -14.899 -4.900 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.187 -15.319 -2.024 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.638 -15.964 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.416 -13.190 -3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.617 -14.202 -5.217 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.297 -14.479 -3.488 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.133 -13.915 -1.507 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.433 -13.663 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 655 6.960 -13.008 -2.491 1.00 0.00 H new ATOM 1252 N PHE A 656 7.717 -17.435 -5.433 1.00 0.00 N ATOM 1253 CA PHE A 656 8.831 -18.319 -5.643 1.00 0.00 C ATOM 1254 C PHE A 656 9.986 -17.529 -6.242 1.00 0.00 C ATOM 1255 O PHE A 656 9.783 -16.422 -6.738 1.00 0.00 O ATOM 1256 CB PHE A 656 8.385 -19.452 -6.567 1.00 0.00 C ATOM 1257 CG PHE A 656 9.258 -20.659 -6.379 1.00 0.00 C ATOM 1258 CD1 PHE A 656 9.110 -21.434 -5.215 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.277 -20.931 -7.306 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.982 -22.516 -4.992 1.00 0.00 C ATOM 1261 CE2 PHE A 656 11.154 -22.007 -7.076 1.00 0.00 C ATOM 1262 CZ PHE A 656 11.002 -22.802 -5.922 1.00 0.00 C ATOM 0 H PHE A 656 7.728 -16.619 -6.045 1.00 0.00 H new ATOM 0 HA PHE A 656 9.171 -18.753 -4.702 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.347 -19.711 -6.359 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.430 -19.122 -7.605 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.335 -21.201 -4.500 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.387 -20.319 -8.189 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.870 -23.127 -4.109 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.942 -22.223 -7.782 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.670 -23.633 -5.750 1.00 0.00 H new ATOM 1272 N GLU A 657 11.189 -18.107 -6.214 1.00 0.00 N ATOM 1273 CA GLU A 657 12.421 -17.474 -6.662 1.00 0.00 C ATOM 1274 C GLU A 657 13.039 -18.366 -7.747 1.00 0.00 C ATOM 1275 O GLU A 657 13.913 -19.176 -7.443 1.00 0.00 O ATOM 1276 CB GLU A 657 13.305 -17.195 -5.431 1.00 0.00 C ATOM 1277 CG GLU A 657 14.425 -16.167 -5.686 1.00 0.00 C ATOM 1278 CD GLU A 657 14.681 -15.226 -4.499 1.00 0.00 C ATOM 1279 OE1 GLU A 657 14.524 -15.692 -3.345 1.00 0.00 O ATOM 1280 OE2 GLU A 657 15.026 -14.043 -4.756 1.00 0.00 O ATOM 0 H GLU A 657 11.332 -19.056 -5.868 1.00 0.00 H new ATOM 0 HA GLU A 657 12.269 -16.500 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.675 -16.837 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.753 -18.131 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.347 -16.698 -5.922 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.167 -15.571 -6.562 1.00 0.00 H new ATOM 1287 N PRO A 658 12.554 -18.285 -9.006 1.00 0.00 N ATOM 1288 CA PRO A 658 12.990 -19.159 -10.097 1.00 0.00 C ATOM 1289 C PRO A 658 14.472 -19.045 -10.458 1.00 0.00 C ATOM 1290 O PRO A 658 15.010 -19.946 -11.100 1.00 0.00 O ATOM 1291 CB PRO A 658 12.123 -18.789 -11.302 1.00 0.00 C ATOM 1292 CG PRO A 658 11.570 -17.408 -10.975 1.00 0.00 C ATOM 1293 CD PRO A 658 11.427 -17.479 -9.460 1.00 0.00 C ATOM 0 HA PRO A 658 12.871 -20.195 -9.781 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.709 -18.773 -12.221 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.320 -19.512 -11.449 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.248 -16.613 -11.285 1.00 0.00 H new ATOM 0 HG3 PRO A 658 10.615 -17.223 -11.467 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.450 -16.484 -9.015 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.478 -17.933 -9.175 1.00 0.00 H new ATOM 1301 N ALA A 659 15.130 -17.956 -10.059 1.00 0.00 N ATOM 1302 CA ALA A 659 16.575 -17.810 -10.162 1.00 0.00 C ATOM 1303 C ALA A 659 17.130 -17.024 -8.978 1.00 0.00 C ATOM 1304 O ALA A 659 16.378 -16.407 -8.228 1.00 0.00 O ATOM 1305 CB ALA A 659 16.939 -17.133 -11.488 1.00 0.00 C ATOM 0 H ALA A 659 14.666 -17.144 -9.651 1.00 0.00 H new ATOM 0 HA ALA A 659 17.028 -18.801 -10.141 1.00 0.00 H new ATOM 0 HB1 ALA A 659 18.022 -17.027 -11.557 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.580 -17.742 -12.318 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.475 -16.148 -11.533 1.00 0.00 H new ATOM 1311 N ARG A 660 18.467 -17.015 -8.878 1.00 0.00 N ATOM 1312 CA ARG A 660 19.364 -16.531 -7.816 1.00 0.00 C ATOM 1313 C ARG A 660 19.212 -15.063 -7.356 1.00 0.00 C ATOM 1314 O ARG A 660 20.146 -14.508 -6.779 1.00 0.00 O ATOM 1315 CB ARG A 660 20.811 -16.814 -8.268 1.00 0.00 C ATOM 1316 CG ARG A 660 21.216 -15.975 -9.495 1.00 0.00 C ATOM 1317 CD ARG A 660 22.738 -15.944 -9.669 1.00 0.00 C ATOM 1318 NE ARG A 660 23.149 -14.953 -10.680 1.00 0.00 N ATOM 1319 CZ ARG A 660 23.179 -13.619 -10.520 1.00 0.00 C ATOM 1320 NH1 ARG A 660 22.794 -13.053 -9.373 1.00 0.00 N ATOM 1321 NH2 ARG A 660 23.594 -12.845 -11.524 1.00 0.00 N ATOM 0 H ARG A 660 19.019 -17.399 -9.645 1.00 0.00 H new ATOM 0 HA ARG A 660 19.075 -17.078 -6.919 1.00 0.00 H new ATOM 0 HB2 ARG A 660 21.494 -16.603 -7.445 1.00 0.00 H new ATOM 0 HB3 ARG A 660 20.915 -17.873 -8.505 1.00 0.00 H new ATOM 0 HG2 ARG A 660 20.754 -16.390 -10.391 1.00 0.00 H new ATOM 0 HG3 ARG A 660 20.840 -14.958 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 660 23.209 -15.708 -8.715 1.00 0.00 H new ATOM 0 HD3 ARG A 660 23.091 -16.932 -9.963 1.00 0.00 H new ATOM 0 HE ARG A 660 23.439 -15.315 -11.589 1.00 0.00 H new ATOM 0 HH11 ARG A 660 22.470 -13.635 -8.600 1.00 0.00 H new ATOM 0 HH12 ARG A 660 22.824 -12.039 -9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 660 23.886 -13.266 -12.406 1.00 0.00 H new ATOM 0 HH22 ARG A 660 23.619 -11.832 -11.410 1.00 0.00 H new ATOM 1335 N GLY A 661 18.089 -14.418 -7.645 1.00 0.00 N ATOM 1336 CA GLY A 661 17.706 -13.111 -7.146 1.00 0.00 C ATOM 1337 C GLY A 661 16.555 -12.528 -7.955 1.00 0.00 C ATOM 1338 O GLY A 661 16.553 -11.328 -8.228 1.00 0.00 O ATOM 0 H GLY A 661 17.386 -14.817 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.414 -13.190 -6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.562 -12.437 -7.189 1.00 0.00 H new ATOM 1342 N TYR A 662 15.621 -13.386 -8.381 1.00 0.00 N ATOM 1343 CA TYR A 662 14.585 -13.090 -9.354 1.00 0.00 C ATOM 1344 C TYR A 662 13.332 -13.837 -8.913 1.00 0.00 C ATOM 1345 O TYR A 662 13.327 -15.069 -8.939 1.00 0.00 O ATOM 1346 CB TYR A 662 15.067 -13.554 -10.735 1.00 0.00 C ATOM 1347 CG TYR A 662 16.211 -12.730 -11.298 1.00 0.00 C ATOM 1348 CD1 TYR A 662 15.948 -11.491 -11.914 1.00 0.00 C ATOM 1349 CD2 TYR A 662 17.540 -13.183 -11.175 1.00 0.00 C ATOM 1350 CE1 TYR A 662 17.003 -10.704 -12.410 1.00 0.00 C ATOM 1351 CE2 TYR A 662 18.601 -12.400 -11.662 1.00 0.00 C ATOM 1352 CZ TYR A 662 18.337 -11.156 -12.279 1.00 0.00 C ATOM 1353 OH TYR A 662 19.376 -10.402 -12.737 1.00 0.00 O ATOM 0 H TYR A 662 15.572 -14.345 -8.037 1.00 0.00 H new ATOM 0 HA TYR A 662 14.365 -12.024 -9.418 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.382 -14.595 -10.668 1.00 0.00 H new ATOM 0 HB3 TYR A 662 14.230 -13.518 -11.432 1.00 0.00 H new ATOM 0 HD1 TYR A 662 14.930 -11.143 -12.006 1.00 0.00 H new ATOM 0 HD2 TYR A 662 17.744 -14.134 -10.705 1.00 0.00 H new ATOM 0 HE1 TYR A 662 16.795 -9.758 -12.889 1.00 0.00 H new ATOM 0 HE2 TYR A 662 19.618 -12.749 -11.565 1.00 0.00 H new ATOM 0 HH TYR A 662 20.220 -10.868 -12.562 1.00 0.00 H new ATOM 1363 N LEU A 663 12.320 -13.101 -8.446 1.00 0.00 N ATOM 1364 CA LEU A 663 11.086 -13.627 -7.876 1.00 0.00 C ATOM 1365 C LEU A 663 9.978 -13.722 -8.926 1.00 0.00 C ATOM 1366 O LEU A 663 10.042 -13.129 -10.002 1.00 0.00 O ATOM 1367 CB LEU A 663 10.643 -12.750 -6.686 1.00 0.00 C ATOM 1368 CG LEU A 663 11.469 -13.019 -5.414 1.00 0.00 C ATOM 1369 CD1 LEU A 663 11.309 -11.880 -4.408 1.00 0.00 C ATOM 1370 CD2 LEU A 663 11.078 -14.324 -4.726 1.00 0.00 C ATOM 0 H LEU A 663 12.343 -12.081 -8.457 1.00 0.00 H new ATOM 0 HA LEU A 663 11.278 -14.639 -7.518 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.735 -11.699 -6.960 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.589 -12.933 -6.476 1.00 0.00 H new ATOM 0 HG LEU A 663 12.506 -13.094 -5.741 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.902 -12.094 -3.519 1.00 0.00 H new ATOM 0 HD12 LEU A 663 11.651 -10.947 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 663 10.259 -11.785 -4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 663 11.691 -14.464 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 663 10.027 -14.284 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 663 11.236 -15.158 -5.410 1.00 0.00 H new ATOM 1382 N LYS A 664 8.943 -14.484 -8.578 1.00 0.00 N ATOM 1383 CA LYS A 664 7.777 -14.796 -9.385 1.00 0.00 C ATOM 1384 C LYS A 664 6.613 -15.063 -8.442 1.00 0.00 C ATOM 1385 O LYS A 664 6.833 -15.528 -7.322 1.00 0.00 O ATOM 1386 CB LYS A 664 8.137 -16.033 -10.225 1.00 0.00 C ATOM 1387 CG LYS A 664 6.966 -16.625 -11.007 1.00 0.00 C ATOM 1388 CD LYS A 664 7.331 -17.970 -11.645 1.00 0.00 C ATOM 1389 CE LYS A 664 6.125 -18.555 -12.391 1.00 0.00 C ATOM 1390 NZ LYS A 664 4.972 -18.782 -11.492 1.00 0.00 N ATOM 0 H LYS A 664 8.899 -14.928 -7.661 1.00 0.00 H new ATOM 0 HA LYS A 664 7.488 -13.984 -10.053 1.00 0.00 H new ATOM 0 HB2 LYS A 664 8.928 -15.764 -10.926 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.543 -16.800 -9.565 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.114 -16.758 -10.341 1.00 0.00 H new ATOM 0 HG3 LYS A 664 6.657 -15.926 -11.784 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.164 -17.838 -12.335 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.663 -18.666 -10.875 1.00 0.00 H new ATOM 0 HE2 LYS A 664 5.831 -17.877 -13.193 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.411 -19.497 -12.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.210 -19.255 -12.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 5.266 -19.381 -10.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 4.628 -17.869 -11.131 1.00 0.00 H new ATOM 1404 N ILE A 665 5.385 -14.798 -8.892 1.00 0.00 N ATOM 1405 CA ILE A 665 4.188 -15.220 -8.189 1.00 0.00 C ATOM 1406 C ILE A 665 3.932 -16.694 -8.531 1.00 0.00 C ATOM 1407 O ILE A 665 3.774 -17.051 -9.703 1.00 0.00 O ATOM 1408 CB ILE A 665 2.987 -14.289 -8.461 1.00 0.00 C ATOM 1409 CG1 ILE A 665 3.355 -12.837 -8.072 1.00 0.00 C ATOM 1410 CG2 ILE A 665 1.785 -14.794 -7.638 1.00 0.00 C ATOM 1411 CD1 ILE A 665 2.253 -11.794 -8.282 1.00 0.00 C ATOM 0 H ILE A 665 5.200 -14.285 -9.754 1.00 0.00 H new ATOM 0 HA ILE A 665 4.334 -15.139 -7.112 1.00 0.00 H new ATOM 0 HB ILE A 665 2.727 -14.297 -9.519 1.00 0.00 H new ATOM 0 HG12 ILE A 665 3.646 -12.824 -7.022 1.00 0.00 H new ATOM 0 HG13 ILE A 665 4.229 -12.536 -8.649 1.00 0.00 H new ATOM 0 HG21 ILE A 665 0.925 -14.149 -7.816 1.00 0.00 H new ATOM 0 HG22 ILE A 665 1.542 -15.814 -7.937 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.037 -14.777 -6.578 1.00 0.00 H new ATOM 0 HD11 ILE A 665 2.618 -10.813 -7.978 1.00 0.00 H new ATOM 0 HD12 ILE A 665 1.974 -11.767 -9.335 1.00 0.00 H new ATOM 0 HD13 ILE A 665 1.382 -12.059 -7.683 1.00 0.00 H new ATOM 1423 N VAL A 666 3.929 -17.510 -7.471 1.00 0.00 N ATOM 1424 CA VAL A 666 4.068 -18.963 -7.394 1.00 0.00 C ATOM 1425 C VAL A 666 4.716 -19.563 -8.648 1.00 0.00 C ATOM 1426 O VAL A 666 4.063 -20.270 -9.443 1.00 0.00 O ATOM 1427 CB VAL A 666 2.764 -19.611 -6.876 1.00 0.00 C ATOM 1428 CG1 VAL A 666 1.535 -19.405 -7.773 1.00 0.00 C ATOM 1429 CG2 VAL A 666 2.965 -21.100 -6.549 1.00 0.00 C ATOM 1430 OXT VAL A 666 5.885 -19.215 -8.919 1.00 0.00 O ATOM 0 H VAL A 666 3.815 -17.117 -6.537 1.00 0.00 H new ATOM 0 HA VAL A 666 4.803 -19.224 -6.632 1.00 0.00 H new ATOM 0 HB VAL A 666 2.538 -19.071 -5.957 1.00 0.00 H new ATOM 0 HG11 VAL A 666 0.671 -19.896 -7.325 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.334 -18.339 -7.875 1.00 0.00 H new ATOM 0 HG13 VAL A 666 1.726 -19.834 -8.757 1.00 0.00 H new ATOM 0 HG21 VAL A 666 2.028 -21.523 -6.188 1.00 0.00 H new ATOM 0 HG22 VAL A 666 3.280 -21.631 -7.448 1.00 0.00 H new ATOM 0 HG23 VAL A 666 3.730 -21.203 -5.780 1.00 0.00 H new