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+ -161:sc= 1.26 (180deg=1.09) USER MOD Single : A 612 LYS NZ :NH3+ -178:sc= 1.19 (180deg=1.11) USER MOD Single : A 614 TYR OH : rot 180:sc= 0 USER MOD Single : A 618 TYR OH : rot 180:sc= 0 USER MOD Single : A 624 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 625 ASN : amide:sc= 0.49 K(o=0.49,f=-4.5!) USER MOD Single : A 629 THR OG1 : rot 90:sc= 1.3 USER MOD Single : A 631 MET CE :methyl 171:sc= -0.0336 (180deg=-0.132) USER MOD Single : A 632 MET CE :methyl 156:sc= -0.23 (180deg=-1.29) USER MOD Single : A 635 TYR OH : rot 180:sc= 0 USER MOD Single : A 636 ASN : amide:sc= 0.78 K(o=0.78,f=-0.029) USER MOD Single : A 638 SER OG : rot 180:sc= 0.00578 USER MOD Single : A 641 LYS NZ :NH3+ 167:sc= 0.423 (180deg=-0.685) USER MOD Single : A 650 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.21) USER MOD Single : A 652 LYS NZ :NH3+ -110:sc= -0.0424 (180deg=-1.78) USER MOD Single : A 662 TYR OH : rot 48:sc= 0.97 USER MOD Single : A 664 LYS NZ :NH3+ 174:sc= 1.64 (180deg=1.44) USER MOD ----------------------------------------------------------------- ATOM 324 N ARG A 601 -3.954 -2.354 1.501 1.00 0.00 N ATOM 325 CA ARG A 601 -2.577 -2.814 1.389 1.00 0.00 C ATOM 326 C ARG A 601 -2.065 -3.290 2.755 1.00 0.00 C ATOM 327 O ARG A 601 -2.694 -3.113 3.795 1.00 0.00 O ATOM 328 CB ARG A 601 -1.712 -1.682 0.811 1.00 0.00 C ATOM 329 CG ARG A 601 -2.019 -1.445 -0.680 1.00 0.00 C ATOM 330 CD ARG A 601 -0.807 -1.782 -1.557 1.00 0.00 C ATOM 331 NE ARG A 601 -1.106 -1.707 -2.996 1.00 0.00 N ATOM 332 CZ ARG A 601 -1.072 -0.631 -3.790 1.00 0.00 C ATOM 333 NH1 ARG A 601 -0.837 0.591 -3.309 1.00 0.00 N ATOM 334 NH2 ARG A 601 -1.282 -0.822 -5.088 1.00 0.00 N ATOM 0 HA ARG A 601 -2.520 -3.665 0.711 1.00 0.00 H new ATOM 0 HB2 ARG A 601 -1.890 -0.764 1.371 1.00 0.00 H new ATOM 0 HB3 ARG A 601 -0.657 -1.930 0.932 1.00 0.00 H new ATOM 0 HG2 ARG A 601 -2.870 -2.057 -0.980 1.00 0.00 H new ATOM 0 HG3 ARG A 601 -2.304 -0.404 -0.834 1.00 0.00 H new ATOM 0 HD2 ARG A 601 0.007 -1.096 -1.323 1.00 0.00 H new ATOM 0 HD3 ARG A 601 -0.457 -2.786 -1.315 1.00 0.00 H new ATOM 0 HE ARG A 601 -1.372 -2.584 -3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 601 -0.677 0.724 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 601 -0.817 1.392 -3.940 1.00 0.00 H new ATOM 0 HH21 ARG A 601 -1.460 -1.761 -5.443 1.00 0.00 H new ATOM 0 HH22 ARG A 601 -1.265 -0.029 -5.729 1.00 0.00 H new ATOM 348 N ASP A 602 -0.908 -3.945 2.725 1.00 0.00 N ATOM 349 CA ASP A 602 -0.222 -4.578 3.838 1.00 0.00 C ATOM 350 C ASP A 602 1.219 -4.800 3.393 1.00 0.00 C ATOM 351 O ASP A 602 1.457 -4.801 2.192 1.00 0.00 O ATOM 352 CB ASP A 602 -0.852 -5.947 4.119 1.00 0.00 C ATOM 353 CG ASP A 602 -0.121 -6.624 5.276 1.00 0.00 C ATOM 354 OD1 ASP A 602 -0.168 -6.085 6.405 1.00 0.00 O ATOM 355 OD2 ASP A 602 0.650 -7.560 4.976 1.00 0.00 O ATOM 0 H ASP A 602 -0.389 -4.053 1.853 1.00 0.00 H new ATOM 0 HA ASP A 602 -0.286 -3.961 4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 602 -1.908 -5.829 4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 602 -0.799 -6.572 3.228 1.00 0.00 H new ATOM 360 N LYS A 603 2.166 -5.082 4.290 1.00 0.00 N ATOM 361 CA LYS A 603 3.539 -5.425 3.907 1.00 0.00 C ATOM 362 C LYS A 603 3.561 -6.582 2.900 1.00 0.00 C ATOM 363 O LYS A 603 4.287 -6.506 1.907 1.00 0.00 O ATOM 364 CB LYS A 603 4.428 -5.737 5.129 1.00 0.00 C ATOM 365 CG LYS A 603 4.138 -4.899 6.385 1.00 0.00 C ATOM 366 CD LYS A 603 3.116 -5.611 7.291 1.00 0.00 C ATOM 367 CE LYS A 603 2.273 -4.601 8.073 1.00 0.00 C ATOM 368 NZ LYS A 603 1.049 -5.230 8.613 1.00 0.00 N ATOM 0 H LYS A 603 2.005 -5.079 5.297 1.00 0.00 H new ATOM 0 HA LYS A 603 3.961 -4.544 3.423 1.00 0.00 H new ATOM 0 HB2 LYS A 603 4.313 -6.791 5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 603 5.470 -5.589 4.846 1.00 0.00 H new ATOM 0 HG2 LYS A 603 5.063 -4.728 6.936 1.00 0.00 H new ATOM 0 HG3 LYS A 603 3.755 -3.921 6.095 1.00 0.00 H new ATOM 0 HD2 LYS A 603 2.465 -6.240 6.685 1.00 0.00 H new ATOM 0 HD3 LYS A 603 3.638 -6.269 7.986 1.00 0.00 H new ATOM 0 HE2 LYS A 603 2.863 -4.187 8.891 1.00 0.00 H new ATOM 0 HE3 LYS A 603 2.001 -3.770 7.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 603 0.355 -4.492 8.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 603 0.645 -5.871 7.901 1.00 0.00 H new ATOM 0 HZ3 LYS A 603 1.285 -5.770 9.470 1.00 0.00 H new ATOM 382 N PHE A 604 2.735 -7.618 3.107 1.00 0.00 N ATOM 383 CA PHE A 604 2.635 -8.737 2.176 1.00 0.00 C ATOM 384 C PHE A 604 2.121 -8.269 0.814 1.00 0.00 C ATOM 385 O PHE A 604 2.696 -8.623 -0.214 1.00 0.00 O ATOM 386 CB PHE A 604 1.714 -9.832 2.743 1.00 0.00 C ATOM 387 CG PHE A 604 2.083 -10.399 4.106 1.00 0.00 C ATOM 388 CD1 PHE A 604 3.429 -10.557 4.493 1.00 0.00 C ATOM 389 CD2 PHE A 604 1.061 -10.764 5.005 1.00 0.00 C ATOM 390 CE1 PHE A 604 3.745 -11.046 5.771 1.00 0.00 C ATOM 391 CE2 PHE A 604 1.378 -11.275 6.276 1.00 0.00 C ATOM 392 CZ PHE A 604 2.722 -11.413 6.662 1.00 0.00 C ATOM 0 H PHE A 604 2.124 -7.698 3.920 1.00 0.00 H new ATOM 0 HA PHE A 604 3.633 -9.154 2.043 1.00 0.00 H new ATOM 0 HB2 PHE A 604 0.704 -9.428 2.805 1.00 0.00 H new ATOM 0 HB3 PHE A 604 1.685 -10.655 2.029 1.00 0.00 H new ATOM 0 HD1 PHE A 604 4.220 -10.301 3.804 1.00 0.00 H new ATOM 0 HD2 PHE A 604 0.027 -10.650 4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 604 4.778 -11.140 6.070 1.00 0.00 H new ATOM 0 HE2 PHE A 604 0.589 -11.561 6.955 1.00 0.00 H new ATOM 0 HZ PHE A 604 2.968 -11.800 7.640 1.00 0.00 H new ATOM 402 N ARG A 605 1.050 -7.464 0.809 1.00 0.00 N ATOM 403 CA ARG A 605 0.497 -6.871 -0.404 1.00 0.00 C ATOM 404 C ARG A 605 1.554 -5.997 -1.087 1.00 0.00 C ATOM 405 O ARG A 605 1.746 -6.143 -2.283 1.00 0.00 O ATOM 406 CB ARG A 605 -0.791 -6.075 -0.102 1.00 0.00 C ATOM 407 CG ARG A 605 -2.099 -6.888 -0.148 1.00 0.00 C ATOM 408 CD ARG A 605 -2.482 -7.456 1.223 1.00 0.00 C ATOM 409 NE ARG A 605 -3.606 -8.408 1.137 1.00 0.00 N ATOM 410 CZ ARG A 605 -4.874 -8.226 1.544 1.00 0.00 C ATOM 411 NH1 ARG A 605 -5.341 -7.039 1.929 1.00 0.00 N ATOM 412 NH2 ARG A 605 -5.705 -9.269 1.569 1.00 0.00 N ATOM 0 H ARG A 605 0.543 -7.207 1.656 1.00 0.00 H new ATOM 0 HA ARG A 605 0.220 -7.672 -1.089 1.00 0.00 H new ATOM 0 HB2 ARG A 605 -0.697 -5.627 0.887 1.00 0.00 H new ATOM 0 HB3 ARG A 605 -0.867 -5.256 -0.817 1.00 0.00 H new ATOM 0 HG2 ARG A 605 -2.906 -6.253 -0.513 1.00 0.00 H new ATOM 0 HG3 ARG A 605 -1.990 -7.706 -0.860 1.00 0.00 H new ATOM 0 HD2 ARG A 605 -1.618 -7.955 1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 605 -2.751 -6.638 1.891 1.00 0.00 H new ATOM 0 HE ARG A 605 -3.395 -9.314 0.718 1.00 0.00 H new ATOM 0 HH11 ARG A 605 -4.729 -6.223 1.922 1.00 0.00 H new ATOM 0 HH12 ARG A 605 -6.311 -6.946 2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 605 -5.376 -10.191 1.281 1.00 0.00 H new ATOM 0 HH22 ARG A 605 -6.670 -9.145 1.876 1.00 0.00 H new ATOM 426 N LEU A 606 2.249 -5.121 -0.355 1.00 0.00 N ATOM 427 CA LEU A 606 3.216 -4.161 -0.865 1.00 0.00 C ATOM 428 C LEU A 606 4.346 -4.906 -1.562 1.00 0.00 C ATOM 429 O LEU A 606 4.677 -4.563 -2.697 1.00 0.00 O ATOM 430 CB LEU A 606 3.760 -3.280 0.280 1.00 0.00 C ATOM 431 CG LEU A 606 2.758 -2.251 0.851 1.00 0.00 C ATOM 432 CD1 LEU A 606 3.291 -1.663 2.165 1.00 0.00 C ATOM 433 CD2 LEU A 606 2.512 -1.110 -0.133 1.00 0.00 C ATOM 0 H LEU A 606 2.143 -5.064 0.658 1.00 0.00 H new ATOM 0 HA LEU A 606 2.728 -3.504 -1.585 1.00 0.00 H new ATOM 0 HB2 LEU A 606 4.091 -3.929 1.091 1.00 0.00 H new ATOM 0 HB3 LEU A 606 4.639 -2.746 -0.080 1.00 0.00 H new ATOM 0 HG LEU A 606 1.818 -2.774 1.029 1.00 0.00 H new ATOM 0 HD11 LEU A 606 2.576 -0.940 2.557 1.00 0.00 H new ATOM 0 HD12 LEU A 606 3.432 -2.464 2.891 1.00 0.00 H new ATOM 0 HD13 LEU A 606 4.244 -1.168 1.982 1.00 0.00 H new ATOM 0 HD21 LEU A 606 1.803 -0.404 0.299 1.00 0.00 H new ATOM 0 HD22 LEU A 606 3.452 -0.599 -0.340 1.00 0.00 H new ATOM 0 HD23 LEU A 606 2.105 -1.511 -1.061 1.00 0.00 H new ATOM 445 N LEU A 607 4.891 -5.949 -0.915 1.00 0.00 N ATOM 446 CA LEU A 607 5.895 -6.778 -1.558 1.00 0.00 C ATOM 447 C LEU A 607 5.291 -7.431 -2.809 1.00 0.00 C ATOM 448 O LEU A 607 5.849 -7.293 -3.893 1.00 0.00 O ATOM 449 CB LEU A 607 6.528 -7.800 -0.585 1.00 0.00 C ATOM 450 CG LEU A 607 7.636 -8.635 -1.271 1.00 0.00 C ATOM 451 CD1 LEU A 607 9.019 -8.080 -0.937 1.00 0.00 C ATOM 452 CD2 LEU A 607 7.554 -10.109 -0.857 1.00 0.00 C ATOM 0 H LEU A 607 4.651 -6.226 0.037 1.00 0.00 H new ATOM 0 HA LEU A 607 6.725 -6.145 -1.873 1.00 0.00 H new ATOM 0 HB2 LEU A 607 6.947 -7.274 0.273 1.00 0.00 H new ATOM 0 HB3 LEU A 607 5.754 -8.466 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 607 7.479 -8.567 -2.347 1.00 0.00 H new ATOM 0 HD11 LEU A 607 9.782 -8.683 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 607 9.091 -7.049 -1.284 1.00 0.00 H new ATOM 0 HD13 LEU A 607 9.173 -8.111 0.142 1.00 0.00 H new ATOM 0 HD21 LEU A 607 8.344 -10.671 -1.354 1.00 0.00 H new ATOM 0 HD22 LEU A 607 7.675 -10.191 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 607 6.584 -10.514 -1.145 1.00 0.00 H new ATOM 464 N LEU A 608 4.156 -8.129 -2.686 1.00 0.00 N ATOM 465 CA LEU A 608 3.593 -8.910 -3.776 1.00 0.00 C ATOM 466 C LEU A 608 3.232 -8.043 -4.982 1.00 0.00 C ATOM 467 O LEU A 608 3.471 -8.463 -6.110 1.00 0.00 O ATOM 468 CB LEU A 608 2.372 -9.669 -3.237 1.00 0.00 C ATOM 469 CG LEU A 608 1.665 -10.552 -4.274 1.00 0.00 C ATOM 470 CD1 LEU A 608 2.578 -11.646 -4.844 1.00 0.00 C ATOM 471 CD2 LEU A 608 0.436 -11.204 -3.627 1.00 0.00 C ATOM 0 H LEU A 608 3.608 -8.164 -1.826 1.00 0.00 H new ATOM 0 HA LEU A 608 4.340 -9.617 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 608 2.688 -10.293 -2.401 1.00 0.00 H new ATOM 0 HB3 LEU A 608 1.656 -8.948 -2.843 1.00 0.00 H new ATOM 0 HG LEU A 608 1.374 -9.909 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 608 2.024 -12.239 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 608 3.438 -11.185 -5.330 1.00 0.00 H new ATOM 0 HD13 LEU A 608 2.921 -12.292 -4.035 1.00 0.00 H new ATOM 0 HD21 LEU A 608 -0.070 -11.833 -4.359 1.00 0.00 H new ATOM 0 HD22 LEU A 608 0.751 -11.815 -2.781 1.00 0.00 H new ATOM 0 HD23 LEU A 608 -0.247 -10.429 -3.280 1.00 0.00 H new ATOM 483 N GLU A 609 2.676 -6.848 -4.764 1.00 0.00 N ATOM 484 CA GLU A 609 2.298 -5.931 -5.835 1.00 0.00 C ATOM 485 C GLU A 609 3.549 -5.513 -6.620 1.00 0.00 C ATOM 486 O GLU A 609 3.534 -5.575 -7.855 1.00 0.00 O ATOM 487 CB GLU A 609 1.517 -4.724 -5.277 1.00 0.00 C ATOM 488 CG GLU A 609 0.175 -5.108 -4.609 1.00 0.00 C ATOM 489 CD GLU A 609 -1.065 -4.614 -5.357 1.00 0.00 C ATOM 490 OE1 GLU A 609 -1.488 -3.465 -5.084 1.00 0.00 O ATOM 491 OE2 GLU A 609 -1.615 -5.386 -6.179 1.00 0.00 O ATOM 0 H GLU A 609 2.475 -6.490 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 609 1.625 -6.437 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 609 2.140 -4.204 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 609 1.322 -4.022 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 609 0.124 -6.193 -4.521 1.00 0.00 H new ATOM 0 HG3 GLU A 609 0.158 -4.705 -3.596 1.00 0.00 H new ATOM 498 N LEU A 610 4.653 -5.212 -5.914 1.00 0.00 N ATOM 499 CA LEU A 610 5.932 -4.910 -6.548 1.00 0.00 C ATOM 500 C LEU A 610 6.429 -6.103 -7.350 1.00 0.00 C ATOM 501 O LEU A 610 7.001 -5.902 -8.417 1.00 0.00 O ATOM 502 CB LEU A 610 7.011 -4.520 -5.523 1.00 0.00 C ATOM 503 CG LEU A 610 6.900 -3.106 -4.926 1.00 0.00 C ATOM 504 CD1 LEU A 610 7.761 -3.057 -3.665 1.00 0.00 C ATOM 505 CD2 LEU A 610 7.419 -2.011 -5.863 1.00 0.00 C ATOM 0 H LEU A 610 4.676 -5.173 -4.895 1.00 0.00 H new ATOM 0 HA LEU A 610 5.758 -4.060 -7.208 1.00 0.00 H new ATOM 0 HB2 LEU A 610 6.984 -5.240 -4.705 1.00 0.00 H new ATOM 0 HB3 LEU A 610 7.987 -4.615 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 610 5.843 -2.919 -4.737 1.00 0.00 H new ATOM 0 HD11 LEU A 610 7.700 -2.063 -3.221 1.00 0.00 H new ATOM 0 HD12 LEU A 610 7.401 -3.797 -2.950 1.00 0.00 H new ATOM 0 HD13 LEU A 610 8.797 -3.276 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 610 7.312 -1.039 -5.381 1.00 0.00 H new ATOM 0 HD22 LEU A 610 8.471 -2.191 -6.086 1.00 0.00 H new ATOM 0 HD23 LEU A 610 6.844 -2.022 -6.789 1.00 0.00 H new ATOM 517 N ILE A 611 6.207 -7.339 -6.882 1.00 0.00 N ATOM 518 CA ILE A 611 6.613 -8.510 -7.652 1.00 0.00 C ATOM 519 C ILE A 611 5.846 -8.522 -8.985 1.00 0.00 C ATOM 520 O ILE A 611 6.438 -8.871 -10.002 1.00 0.00 O ATOM 521 CB ILE A 611 6.487 -9.835 -6.851 1.00 0.00 C ATOM 522 CG1 ILE A 611 7.328 -9.798 -5.559 1.00 0.00 C ATOM 523 CG2 ILE A 611 7.015 -11.027 -7.668 1.00 0.00 C ATOM 524 CD1 ILE A 611 7.066 -10.919 -4.560 1.00 0.00 C ATOM 0 H ILE A 611 5.757 -7.546 -5.991 1.00 0.00 H new ATOM 0 HA ILE A 611 7.678 -8.438 -7.871 1.00 0.00 H new ATOM 0 HB ILE A 611 5.427 -9.947 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 611 8.382 -9.822 -5.834 1.00 0.00 H new ATOM 0 HG13 ILE A 611 7.151 -8.845 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 611 6.915 -11.942 -7.084 1.00 0.00 H new ATOM 0 HG22 ILE A 611 6.440 -11.120 -8.589 1.00 0.00 H new ATOM 0 HG23 ILE A 611 8.065 -10.865 -7.911 1.00 0.00 H new ATOM 0 HD11 ILE A 611 7.713 -10.791 -3.692 1.00 0.00 H new ATOM 0 HD12 ILE A 611 6.023 -10.888 -4.243 1.00 0.00 H new ATOM 0 HD13 ILE A 611 7.274 -11.881 -5.029 1.00 0.00 H new ATOM 536 N LYS A 612 4.583 -8.066 -9.043 1.00 0.00 N ATOM 537 CA LYS A 612 3.839 -8.055 -10.307 1.00 0.00 C ATOM 538 C LYS A 612 4.494 -7.027 -11.216 1.00 0.00 C ATOM 539 O LYS A 612 4.813 -7.314 -12.369 1.00 0.00 O ATOM 540 CB LYS A 612 2.360 -7.653 -10.157 1.00 0.00 C ATOM 541 CG LYS A 612 1.560 -8.274 -9.002 1.00 0.00 C ATOM 542 CD LYS A 612 0.122 -7.729 -8.910 1.00 0.00 C ATOM 543 CE LYS A 612 0.084 -6.198 -9.030 1.00 0.00 C ATOM 544 NZ LYS A 612 -1.249 -5.623 -8.779 1.00 0.00 N ATOM 0 H LYS A 612 4.065 -7.706 -8.241 1.00 0.00 H new ATOM 0 HA LYS A 612 3.863 -9.071 -10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 612 2.317 -6.569 -10.049 1.00 0.00 H new ATOM 0 HB3 LYS A 612 1.850 -7.901 -11.088 1.00 0.00 H new ATOM 0 HG2 LYS A 612 1.526 -9.356 -9.130 1.00 0.00 H new ATOM 0 HG3 LYS A 612 2.078 -8.081 -8.062 1.00 0.00 H new ATOM 0 HD2 LYS A 612 -0.485 -8.171 -9.700 1.00 0.00 H new ATOM 0 HD3 LYS A 612 -0.321 -8.030 -7.961 1.00 0.00 H new ATOM 0 HE2 LYS A 612 0.795 -5.768 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 612 0.413 -5.911 -10.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 612 -1.212 -4.592 -8.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 612 -1.935 -6.032 -9.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 612 -1.542 -5.839 -7.805 1.00 0.00 H new ATOM 558 N GLU A 613 4.688 -5.823 -10.668 1.00 0.00 N ATOM 559 CA GLU A 613 5.071 -4.645 -11.421 1.00 0.00 C ATOM 560 C GLU A 613 6.567 -4.639 -11.756 1.00 0.00 C ATOM 561 O GLU A 613 7.043 -3.703 -12.391 1.00 0.00 O ATOM 562 CB GLU A 613 4.508 -3.389 -10.739 1.00 0.00 C ATOM 563 CG GLU A 613 5.415 -2.749 -9.692 1.00 0.00 C ATOM 564 CD GLU A 613 4.615 -1.801 -8.783 1.00 0.00 C ATOM 565 OE1 GLU A 613 4.293 -0.686 -9.248 1.00 0.00 O ATOM 566 OE2 GLU A 613 4.303 -2.204 -7.638 1.00 0.00 O ATOM 0 H GLU A 613 4.579 -5.646 -9.669 1.00 0.00 H new ATOM 0 HA GLU A 613 4.613 -4.657 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 613 4.288 -2.647 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 613 3.561 -3.647 -10.265 1.00 0.00 H new ATOM 0 HG2 GLU A 613 5.887 -3.525 -9.090 1.00 0.00 H new ATOM 0 HG3 GLU A 613 6.215 -2.198 -10.186 1.00 0.00 H new ATOM 573 N TYR A 614 7.279 -5.717 -11.396 1.00 0.00 N ATOM 574 CA TYR A 614 8.657 -5.965 -11.774 1.00 0.00 C ATOM 575 C TYR A 614 8.834 -7.314 -12.465 1.00 0.00 C ATOM 576 O TYR A 614 9.797 -7.476 -13.214 1.00 0.00 O ATOM 577 CB TYR A 614 9.601 -5.771 -10.583 1.00 0.00 C ATOM 578 CG TYR A 614 10.009 -4.318 -10.444 1.00 0.00 C ATOM 579 CD1 TYR A 614 10.910 -3.776 -11.382 1.00 0.00 C ATOM 580 CD2 TYR A 614 9.420 -3.486 -9.472 1.00 0.00 C ATOM 581 CE1 TYR A 614 11.222 -2.408 -11.361 1.00 0.00 C ATOM 582 CE2 TYR A 614 9.731 -2.113 -9.444 1.00 0.00 C ATOM 583 CZ TYR A 614 10.630 -1.570 -10.390 1.00 0.00 C ATOM 584 OH TYR A 614 10.907 -0.237 -10.378 1.00 0.00 O ATOM 0 H TYR A 614 6.888 -6.458 -10.814 1.00 0.00 H new ATOM 0 HA TYR A 614 8.934 -5.219 -12.519 1.00 0.00 H new ATOM 0 HB2 TYR A 614 9.111 -6.104 -9.668 1.00 0.00 H new ATOM 0 HB3 TYR A 614 10.488 -6.391 -10.713 1.00 0.00 H new ATOM 0 HD1 TYR A 614 11.364 -4.418 -12.122 1.00 0.00 H new ATOM 0 HD2 TYR A 614 8.732 -3.900 -8.750 1.00 0.00 H new ATOM 0 HE1 TYR A 614 11.912 -1.998 -12.084 1.00 0.00 H new ATOM 0 HE2 TYR A 614 9.282 -1.474 -8.698 1.00 0.00 H new ATOM 0 HH TYR A 614 10.416 0.193 -9.647 1.00 0.00 H new ATOM 594 N GLU A 615 7.895 -8.257 -12.318 1.00 0.00 N ATOM 595 CA GLU A 615 7.794 -9.365 -13.247 1.00 0.00 C ATOM 596 C GLU A 615 7.446 -8.787 -14.613 1.00 0.00 C ATOM 597 O GLU A 615 8.229 -8.959 -15.542 1.00 0.00 O ATOM 598 CB GLU A 615 6.794 -10.445 -12.784 1.00 0.00 C ATOM 599 CG GLU A 615 7.440 -11.467 -11.824 1.00 0.00 C ATOM 600 CD GLU A 615 7.102 -12.936 -12.091 1.00 0.00 C ATOM 601 OE1 GLU A 615 7.800 -13.536 -12.944 1.00 0.00 O ATOM 602 OE2 GLU A 615 6.259 -13.497 -11.359 1.00 0.00 O ATOM 0 H GLU A 615 7.204 -8.267 -11.568 1.00 0.00 H new ATOM 0 HA GLU A 615 8.748 -9.890 -13.299 1.00 0.00 H new ATOM 0 HB2 GLU A 615 5.950 -9.967 -12.288 1.00 0.00 H new ATOM 0 HB3 GLU A 615 6.398 -10.967 -13.655 1.00 0.00 H new ATOM 0 HG2 GLU A 615 8.522 -11.348 -11.871 1.00 0.00 H new ATOM 0 HG3 GLU A 615 7.137 -11.223 -10.806 1.00 0.00 H new ATOM 609 N ASP A 616 6.340 -8.047 -14.733 1.00 0.00 N ATOM 610 CA ASP A 616 5.831 -7.559 -16.015 1.00 0.00 C ATOM 611 C ASP A 616 6.831 -6.622 -16.702 1.00 0.00 C ATOM 612 O ASP A 616 6.887 -6.558 -17.927 1.00 0.00 O ATOM 613 CB ASP A 616 4.489 -6.858 -15.776 1.00 0.00 C ATOM 614 CG ASP A 616 3.758 -6.551 -17.084 1.00 0.00 C ATOM 615 OD1 ASP A 616 3.449 -7.528 -17.803 1.00 0.00 O ATOM 616 OD2 ASP A 616 3.460 -5.358 -17.313 1.00 0.00 O ATOM 0 H ASP A 616 5.769 -7.768 -13.935 1.00 0.00 H new ATOM 0 HA ASP A 616 5.687 -8.405 -16.687 1.00 0.00 H new ATOM 0 HB2 ASP A 616 3.859 -7.488 -15.148 1.00 0.00 H new ATOM 0 HB3 ASP A 616 4.658 -5.930 -15.229 1.00 0.00 H new ATOM 621 N ASP A 617 7.686 -5.969 -15.908 1.00 0.00 N ATOM 622 CA ASP A 617 8.726 -5.056 -16.364 1.00 0.00 C ATOM 623 C ASP A 617 9.852 -5.815 -17.059 1.00 0.00 C ATOM 624 O ASP A 617 10.360 -5.402 -18.099 1.00 0.00 O ATOM 625 CB ASP A 617 9.276 -4.330 -15.138 1.00 0.00 C ATOM 626 CG ASP A 617 10.375 -3.312 -15.446 1.00 0.00 C ATOM 627 OD1 ASP A 617 10.116 -2.405 -16.266 1.00 0.00 O ATOM 628 OD2 ASP A 617 11.455 -3.439 -14.822 1.00 0.00 O ATOM 0 H ASP A 617 7.668 -6.069 -14.893 1.00 0.00 H new ATOM 0 HA ASP A 617 8.308 -4.350 -17.082 1.00 0.00 H new ATOM 0 HB2 ASP A 617 8.455 -3.819 -14.635 1.00 0.00 H new ATOM 0 HB3 ASP A 617 9.668 -5.069 -14.439 1.00 0.00 H new ATOM 633 N TYR A 618 10.218 -6.961 -16.480 1.00 0.00 N ATOM 634 CA TYR A 618 11.230 -7.860 -17.005 1.00 0.00 C ATOM 635 C TYR A 618 10.620 -8.888 -17.967 1.00 0.00 C ATOM 636 O TYR A 618 11.355 -9.658 -18.584 1.00 0.00 O ATOM 637 CB TYR A 618 11.930 -8.536 -15.819 1.00 0.00 C ATOM 638 CG TYR A 618 13.035 -7.697 -15.193 1.00 0.00 C ATOM 639 CD1 TYR A 618 12.731 -6.487 -14.542 1.00 0.00 C ATOM 640 CD2 TYR A 618 14.383 -8.095 -15.313 1.00 0.00 C ATOM 641 CE1 TYR A 618 13.752 -5.654 -14.057 1.00 0.00 C ATOM 642 CE2 TYR A 618 15.413 -7.279 -14.809 1.00 0.00 C ATOM 643 CZ TYR A 618 15.102 -6.043 -14.199 1.00 0.00 C ATOM 644 OH TYR A 618 16.103 -5.236 -13.747 1.00 0.00 O ATOM 0 H TYR A 618 9.803 -7.292 -15.609 1.00 0.00 H new ATOM 0 HA TYR A 618 11.961 -7.297 -17.586 1.00 0.00 H new ATOM 0 HB2 TYR A 618 11.187 -8.768 -15.056 1.00 0.00 H new ATOM 0 HB3 TYR A 618 12.352 -9.484 -16.152 1.00 0.00 H new ATOM 0 HD1 TYR A 618 11.699 -6.195 -14.414 1.00 0.00 H new ATOM 0 HD2 TYR A 618 14.626 -9.031 -15.794 1.00 0.00 H new ATOM 0 HE1 TYR A 618 13.506 -4.719 -13.577 1.00 0.00 H new ATOM 0 HE2 TYR A 618 16.442 -7.598 -14.889 1.00 0.00 H new ATOM 0 HH TYR A 618 16.969 -5.658 -13.925 1.00 0.00 H new ATOM 654 N GLY A 619 9.288 -8.919 -18.085 1.00 0.00 N ATOM 655 CA GLY A 619 8.570 -9.923 -18.869 1.00 0.00 C ATOM 656 C GLY A 619 8.495 -11.281 -18.160 1.00 0.00 C ATOM 657 O GLY A 619 8.273 -12.302 -18.808 1.00 0.00 O ATOM 0 H GLY A 619 8.675 -8.240 -17.634 1.00 0.00 H new ATOM 0 HA2 GLY A 619 7.560 -9.567 -19.071 1.00 0.00 H new ATOM 0 HA3 GLY A 619 9.063 -10.047 -19.833 1.00 0.00 H new ATOM 661 N GLY A 620 8.688 -11.286 -16.838 1.00 0.00 N ATOM 662 CA GLY A 620 8.579 -12.418 -15.936 1.00 0.00 C ATOM 663 C GLY A 620 9.911 -12.712 -15.256 1.00 0.00 C ATOM 664 O GLY A 620 10.447 -13.808 -15.434 1.00 0.00 O ATOM 0 H GLY A 620 8.943 -10.432 -16.342 1.00 0.00 H new ATOM 0 HA2 GLY A 620 7.820 -12.213 -15.181 1.00 0.00 H new ATOM 0 HA3 GLY A 620 8.249 -13.297 -16.490 1.00 0.00 H new ATOM 668 N ARG A 621 10.487 -11.741 -14.520 1.00 0.00 N ATOM 669 CA ARG A 621 11.739 -11.991 -13.796 1.00 0.00 C ATOM 670 C ARG A 621 12.013 -11.072 -12.589 1.00 0.00 C ATOM 671 O ARG A 621 13.172 -10.737 -12.364 1.00 0.00 O ATOM 672 CB ARG A 621 12.927 -11.967 -14.790 1.00 0.00 C ATOM 673 CG ARG A 621 14.130 -12.835 -14.400 1.00 0.00 C ATOM 674 CD ARG A 621 14.019 -14.208 -15.068 1.00 0.00 C ATOM 675 NE ARG A 621 15.155 -15.077 -14.724 1.00 0.00 N ATOM 676 CZ ARG A 621 15.262 -16.373 -15.048 1.00 0.00 C ATOM 677 NH1 ARG A 621 14.275 -16.990 -15.700 1.00 0.00 N ATOM 678 NH2 ARG A 621 16.359 -17.053 -14.713 1.00 0.00 N ATOM 0 H ARG A 621 10.112 -10.798 -14.415 1.00 0.00 H new ATOM 0 HA ARG A 621 11.623 -12.979 -13.351 1.00 0.00 H new ATOM 0 HB2 ARG A 621 12.568 -12.292 -15.767 1.00 0.00 H new ATOM 0 HB3 ARG A 621 13.265 -10.937 -14.901 1.00 0.00 H new ATOM 0 HG2 ARG A 621 15.056 -12.347 -14.704 1.00 0.00 H new ATOM 0 HG3 ARG A 621 14.171 -12.950 -13.317 1.00 0.00 H new ATOM 0 HD2 ARG A 621 13.089 -14.687 -14.761 1.00 0.00 H new ATOM 0 HD3 ARG A 621 13.972 -14.083 -16.150 1.00 0.00 H new ATOM 0 HE ARG A 621 15.922 -14.660 -14.197 1.00 0.00 H new ATOM 0 HH11 ARG A 621 13.432 -16.475 -15.955 1.00 0.00 H new ATOM 0 HH12 ARG A 621 14.363 -17.977 -15.943 1.00 0.00 H new ATOM 0 HH21 ARG A 621 17.115 -16.587 -14.211 1.00 0.00 H new ATOM 0 HH22 ARG A 621 16.442 -18.039 -14.959 1.00 0.00 H new ATOM 692 N ALA A 622 10.992 -10.670 -11.818 1.00 0.00 N ATOM 693 CA ALA A 622 11.076 -9.664 -10.748 1.00 0.00 C ATOM 694 C ALA A 622 12.316 -9.834 -9.848 1.00 0.00 C ATOM 695 O ALA A 622 12.357 -10.763 -9.033 1.00 0.00 O ATOM 696 CB ALA A 622 9.821 -9.653 -9.875 1.00 0.00 C ATOM 0 H ALA A 622 10.051 -11.050 -11.926 1.00 0.00 H new ATOM 0 HA ALA A 622 11.165 -8.709 -11.267 1.00 0.00 H new ATOM 0 HB1 ALA A 622 9.925 -8.896 -9.098 1.00 0.00 H new ATOM 0 HB2 ALA A 622 8.951 -9.424 -10.491 1.00 0.00 H new ATOM 0 HB3 ALA A 622 9.691 -10.632 -9.413 1.00 0.00 H new ATOM 702 N PRO A 623 13.339 -8.976 -9.990 1.00 0.00 N ATOM 703 CA PRO A 623 14.601 -9.147 -9.284 1.00 0.00 C ATOM 704 C PRO A 623 14.478 -8.796 -7.789 1.00 0.00 C ATOM 705 O PRO A 623 14.044 -7.698 -7.424 1.00 0.00 O ATOM 706 CB PRO A 623 15.603 -8.252 -10.017 1.00 0.00 C ATOM 707 CG PRO A 623 14.731 -7.208 -10.703 1.00 0.00 C ATOM 708 CD PRO A 623 13.434 -7.926 -10.993 1.00 0.00 C ATOM 0 HA PRO A 623 14.927 -10.187 -9.291 1.00 0.00 H new ATOM 0 HB2 PRO A 623 16.308 -7.791 -9.325 1.00 0.00 H new ATOM 0 HB3 PRO A 623 16.190 -8.819 -10.739 1.00 0.00 H new ATOM 0 HG2 PRO A 623 14.570 -6.342 -10.061 1.00 0.00 H new ATOM 0 HG3 PRO A 623 15.196 -6.843 -11.619 1.00 0.00 H new ATOM 0 HD2 PRO A 623 12.586 -7.245 -10.930 1.00 0.00 H new ATOM 0 HD3 PRO A 623 13.433 -8.344 -12.000 1.00 0.00 H new ATOM 716 N THR A 624 14.896 -9.715 -6.911 1.00 0.00 N ATOM 717 CA THR A 624 14.747 -9.661 -5.460 1.00 0.00 C ATOM 718 C THR A 624 15.493 -8.457 -4.882 1.00 0.00 C ATOM 719 O THR A 624 14.998 -7.793 -3.971 1.00 0.00 O ATOM 720 CB THR A 624 15.272 -10.976 -4.847 1.00 0.00 C ATOM 721 OG1 THR A 624 14.783 -12.089 -5.569 1.00 0.00 O ATOM 722 CG2 THR A 624 14.848 -11.144 -3.387 1.00 0.00 C ATOM 0 H THR A 624 15.374 -10.563 -7.216 1.00 0.00 H new ATOM 0 HA THR A 624 13.692 -9.545 -5.212 1.00 0.00 H new ATOM 0 HB THR A 624 16.360 -10.926 -4.900 1.00 0.00 H new ATOM 0 HG1 THR A 624 15.126 -12.915 -5.169 1.00 0.00 H new ATOM 0 HG21 THR A 624 15.241 -12.084 -3.000 1.00 0.00 H new ATOM 0 HG22 THR A 624 15.240 -10.316 -2.797 1.00 0.00 H new ATOM 0 HG23 THR A 624 13.760 -11.152 -3.323 1.00 0.00 H new ATOM 730 N ASN A 625 16.663 -8.137 -5.445 1.00 0.00 N ATOM 731 CA ASN A 625 17.437 -6.970 -5.050 1.00 0.00 C ATOM 732 C ASN A 625 16.640 -5.691 -5.232 1.00 0.00 C ATOM 733 O ASN A 625 16.677 -4.790 -4.388 1.00 0.00 O ATOM 734 CB ASN A 625 18.752 -6.821 -5.839 1.00 0.00 C ATOM 735 CG ASN A 625 18.675 -7.134 -7.334 1.00 0.00 C ATOM 736 OD1 ASN A 625 18.209 -8.197 -7.729 1.00 0.00 O ATOM 737 ND2 ASN A 625 19.144 -6.238 -8.190 1.00 0.00 N ATOM 0 H ASN A 625 17.095 -8.685 -6.189 1.00 0.00 H new ATOM 0 HA ASN A 625 17.674 -7.130 -3.998 1.00 0.00 H new ATOM 0 HB2 ASN A 625 19.110 -5.798 -5.720 1.00 0.00 H new ATOM 0 HB3 ASN A 625 19.499 -7.475 -5.389 1.00 0.00 H new ATOM 0 HD21 ASN A 625 19.120 -6.428 -9.192 1.00 0.00 H new ATOM 0 HD22 ASN A 625 19.529 -5.358 -7.847 1.00 0.00 H new ATOM 744 N ILE A 626 15.955 -5.593 -6.369 1.00 0.00 N ATOM 745 CA ILE A 626 15.202 -4.406 -6.689 1.00 0.00 C ATOM 746 C ILE A 626 13.941 -4.392 -5.832 1.00 0.00 C ATOM 747 O ILE A 626 13.619 -3.342 -5.304 1.00 0.00 O ATOM 748 CB ILE A 626 14.911 -4.326 -8.191 1.00 0.00 C ATOM 749 CG1 ILE A 626 16.166 -4.514 -9.081 1.00 0.00 C ATOM 750 CG2 ILE A 626 14.250 -2.984 -8.484 1.00 0.00 C ATOM 751 CD1 ILE A 626 17.274 -3.469 -8.886 1.00 0.00 C ATOM 0 H ILE A 626 15.912 -6.326 -7.077 1.00 0.00 H new ATOM 0 HA ILE A 626 15.782 -3.512 -6.459 1.00 0.00 H new ATOM 0 HB ILE A 626 14.248 -5.154 -8.442 1.00 0.00 H new ATOM 0 HG12 ILE A 626 16.584 -5.502 -8.887 1.00 0.00 H new ATOM 0 HG13 ILE A 626 15.855 -4.499 -10.126 1.00 0.00 H new ATOM 0 HG21 ILE A 626 14.035 -2.909 -9.550 1.00 0.00 H new ATOM 0 HG22 ILE A 626 13.320 -2.905 -7.920 1.00 0.00 H new ATOM 0 HG23 ILE A 626 14.921 -2.176 -8.192 1.00 0.00 H new ATOM 0 HD11 ILE A 626 18.106 -3.691 -9.555 1.00 0.00 H new ATOM 0 HD12 ILE A 626 16.882 -2.477 -9.111 1.00 0.00 H new ATOM 0 HD13 ILE A 626 17.622 -3.496 -7.853 1.00 0.00 H new ATOM 763 N LEU A 627 13.282 -5.534 -5.605 1.00 0.00 N ATOM 764 CA LEU A 627 12.157 -5.630 -4.673 1.00 0.00 C ATOM 765 C LEU A 627 12.496 -5.052 -3.301 1.00 0.00 C ATOM 766 O LEU A 627 11.719 -4.261 -2.767 1.00 0.00 O ATOM 767 CB LEU A 627 11.718 -7.096 -4.549 1.00 0.00 C ATOM 768 CG LEU A 627 10.680 -7.419 -5.630 1.00 0.00 C ATOM 769 CD1 LEU A 627 10.816 -8.841 -6.165 1.00 0.00 C ATOM 770 CD2 LEU A 627 9.314 -7.186 -5.009 1.00 0.00 C ATOM 0 H LEU A 627 13.515 -6.416 -6.062 1.00 0.00 H new ATOM 0 HA LEU A 627 11.336 -5.035 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 627 12.581 -7.754 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 627 11.296 -7.277 -3.560 1.00 0.00 H new ATOM 0 HG LEU A 627 10.831 -6.775 -6.496 1.00 0.00 H new ATOM 0 HD11 LEU A 627 10.057 -9.017 -6.927 1.00 0.00 H new ATOM 0 HD12 LEU A 627 11.806 -8.972 -6.601 1.00 0.00 H new ATOM 0 HD13 LEU A 627 10.682 -9.551 -5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 627 8.539 -7.404 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 627 9.190 -7.840 -4.146 1.00 0.00 H new ATOM 0 HD23 LEU A 627 9.231 -6.147 -4.691 1.00 0.00 H new ATOM 782 N ILE A 628 13.659 -5.420 -2.753 1.00 0.00 N ATOM 783 CA ILE A 628 14.164 -4.860 -1.503 1.00 0.00 C ATOM 784 C ILE A 628 14.327 -3.349 -1.686 1.00 0.00 C ATOM 785 O ILE A 628 13.692 -2.580 -0.965 1.00 0.00 O ATOM 786 CB ILE A 628 15.462 -5.584 -1.066 1.00 0.00 C ATOM 787 CG1 ILE A 628 15.146 -7.046 -0.666 1.00 0.00 C ATOM 788 CG2 ILE A 628 16.138 -4.855 0.109 1.00 0.00 C ATOM 789 CD1 ILE A 628 16.385 -7.947 -0.597 1.00 0.00 C ATOM 0 H ILE A 628 14.276 -6.118 -3.169 1.00 0.00 H new ATOM 0 HA ILE A 628 13.460 -5.020 -0.687 1.00 0.00 H new ATOM 0 HB ILE A 628 16.151 -5.580 -1.911 1.00 0.00 H new ATOM 0 HG12 ILE A 628 14.651 -7.049 0.305 1.00 0.00 H new ATOM 0 HG13 ILE A 628 14.442 -7.466 -1.384 1.00 0.00 H new ATOM 0 HG21 ILE A 628 17.046 -5.387 0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 628 16.392 -3.838 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 628 15.456 -4.823 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 628 16.086 -8.955 -0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 628 16.869 -7.975 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 628 17.082 -7.552 0.142 1.00 0.00 H new ATOM 801 N THR A 629 15.145 -2.937 -2.660 1.00 0.00 N ATOM 802 CA THR A 629 15.496 -1.545 -2.931 1.00 0.00 C ATOM 803 C THR A 629 14.235 -0.673 -3.026 1.00 0.00 C ATOM 804 O THR A 629 14.103 0.309 -2.300 1.00 0.00 O ATOM 805 CB THR A 629 16.353 -1.475 -4.211 1.00 0.00 C ATOM 806 OG1 THR A 629 17.466 -2.349 -4.129 1.00 0.00 O ATOM 807 CG2 THR A 629 16.896 -0.065 -4.457 1.00 0.00 C ATOM 0 H THR A 629 15.595 -3.589 -3.302 1.00 0.00 H new ATOM 0 HA THR A 629 16.087 -1.148 -2.105 1.00 0.00 H new ATOM 0 HB THR A 629 15.695 -1.767 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 629 17.220 -3.227 -4.489 1.00 0.00 H new ATOM 0 HG21 THR A 629 17.494 -0.059 -5.368 1.00 0.00 H new ATOM 0 HG22 THR A 629 16.064 0.632 -4.564 1.00 0.00 H new ATOM 0 HG23 THR A 629 17.517 0.238 -3.614 1.00 0.00 H new ATOM 815 N GLU A 630 13.291 -1.062 -3.883 1.00 0.00 N ATOM 816 CA GLU A 630 12.029 -0.389 -4.144 1.00 0.00 C ATOM 817 C GLU A 630 11.208 -0.282 -2.863 1.00 0.00 C ATOM 818 O GLU A 630 10.718 0.802 -2.544 1.00 0.00 O ATOM 819 CB GLU A 630 11.256 -1.173 -5.219 1.00 0.00 C ATOM 820 CG GLU A 630 11.856 -1.015 -6.622 1.00 0.00 C ATOM 821 CD GLU A 630 11.673 0.402 -7.157 1.00 0.00 C ATOM 822 OE1 GLU A 630 10.513 0.844 -7.293 1.00 0.00 O ATOM 823 OE2 GLU A 630 12.694 1.103 -7.333 1.00 0.00 O ATOM 0 H GLU A 630 13.398 -1.907 -4.445 1.00 0.00 H new ATOM 0 HA GLU A 630 12.222 0.622 -4.503 1.00 0.00 H new ATOM 0 HB2 GLU A 630 11.243 -2.230 -4.952 1.00 0.00 H new ATOM 0 HB3 GLU A 630 10.220 -0.835 -5.233 1.00 0.00 H new ATOM 0 HG2 GLU A 630 12.918 -1.259 -6.593 1.00 0.00 H new ATOM 0 HG3 GLU A 630 11.384 -1.725 -7.302 1.00 0.00 H new ATOM 830 N MET A 631 11.096 -1.372 -2.092 1.00 0.00 N ATOM 831 CA MET A 631 10.387 -1.332 -0.822 1.00 0.00 C ATOM 832 C MET A 631 11.006 -0.284 0.119 1.00 0.00 C ATOM 833 O MET A 631 10.247 0.445 0.763 1.00 0.00 O ATOM 834 CB MET A 631 10.395 -2.706 -0.140 1.00 0.00 C ATOM 835 CG MET A 631 9.352 -3.692 -0.670 1.00 0.00 C ATOM 836 SD MET A 631 7.639 -3.318 -0.197 1.00 0.00 S ATOM 837 CE MET A 631 7.535 -4.184 1.383 1.00 0.00 C ATOM 0 H MET A 631 11.487 -2.283 -2.330 1.00 0.00 H new ATOM 0 HA MET A 631 9.355 -1.053 -1.034 1.00 0.00 H new ATOM 0 HB2 MET A 631 11.384 -3.148 -0.257 1.00 0.00 H new ATOM 0 HB3 MET A 631 10.232 -2.566 0.929 1.00 0.00 H new ATOM 0 HG2 MET A 631 9.416 -3.717 -1.758 1.00 0.00 H new ATOM 0 HG3 MET A 631 9.603 -4.691 -0.313 1.00 0.00 H new ATOM 0 HE1 MET A 631 6.601 -3.922 1.880 1.00 0.00 H new ATOM 0 HE2 MET A 631 7.566 -5.260 1.211 1.00 0.00 H new ATOM 0 HE3 MET A 631 8.376 -3.893 2.013 1.00 0.00 H new ATOM 847 N MET A 632 12.346 -0.163 0.195 1.00 0.00 N ATOM 848 CA MET A 632 12.978 0.839 1.064 1.00 0.00 C ATOM 849 C MET A 632 12.847 2.260 0.504 1.00 0.00 C ATOM 850 O MET A 632 13.019 3.222 1.258 1.00 0.00 O ATOM 851 CB MET A 632 14.464 0.567 1.390 1.00 0.00 C ATOM 852 CG MET A 632 15.054 -0.760 0.919 1.00 0.00 C ATOM 853 SD MET A 632 16.801 -1.037 1.312 1.00 0.00 S ATOM 854 CE MET A 632 16.718 -0.955 3.113 1.00 0.00 C ATOM 0 H MET A 632 13.002 -0.741 -0.330 1.00 0.00 H new ATOM 0 HA MET A 632 12.420 0.753 1.997 1.00 0.00 H new ATOM 0 HB2 MET A 632 15.057 1.372 0.956 1.00 0.00 H new ATOM 0 HB3 MET A 632 14.588 0.626 2.471 1.00 0.00 H new ATOM 0 HG2 MET A 632 14.471 -1.570 1.357 1.00 0.00 H new ATOM 0 HG3 MET A 632 14.930 -0.827 -0.162 1.00 0.00 H new ATOM 0 HE1 MET A 632 17.557 -1.503 3.541 1.00 0.00 H new ATOM 0 HE2 MET A 632 16.764 0.086 3.432 1.00 0.00 H new ATOM 0 HE3 MET A 632 15.783 -1.399 3.455 1.00 0.00 H new ATOM 864 N ASP A 633 12.541 2.406 -0.788 1.00 0.00 N ATOM 865 CA ASP A 633 12.564 3.692 -1.478 1.00 0.00 C ATOM 866 C ASP A 633 11.160 4.260 -1.635 1.00 0.00 C ATOM 867 O ASP A 633 10.990 5.466 -1.799 1.00 0.00 O ATOM 868 CB ASP A 633 13.230 3.502 -2.848 1.00 0.00 C ATOM 869 CG ASP A 633 13.764 4.812 -3.447 1.00 0.00 C ATOM 870 OD1 ASP A 633 14.462 5.543 -2.715 1.00 0.00 O ATOM 871 OD2 ASP A 633 13.494 5.059 -4.650 1.00 0.00 O ATOM 0 H ASP A 633 12.268 1.626 -1.387 1.00 0.00 H new ATOM 0 HA ASP A 633 13.135 4.407 -0.886 1.00 0.00 H new ATOM 0 HB2 ASP A 633 14.052 2.793 -2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 633 12.510 3.062 -3.537 1.00 0.00 H new ATOM 876 N ARG A 634 10.144 3.389 -1.570 1.00 0.00 N ATOM 877 CA ARG A 634 8.758 3.756 -1.859 1.00 0.00 C ATOM 878 C ARG A 634 7.828 3.440 -0.701 1.00 0.00 C ATOM 879 O ARG A 634 6.790 4.088 -0.586 1.00 0.00 O ATOM 880 CB ARG A 634 8.316 3.104 -3.183 1.00 0.00 C ATOM 881 CG ARG A 634 9.268 3.598 -4.279 1.00 0.00 C ATOM 882 CD ARG A 634 8.885 3.397 -5.751 1.00 0.00 C ATOM 883 NE ARG A 634 10.094 3.388 -6.602 1.00 0.00 N ATOM 884 CZ ARG A 634 11.199 4.128 -6.411 1.00 0.00 C ATOM 885 NH1 ARG A 634 11.153 5.334 -5.854 1.00 0.00 N ATOM 886 NH2 ARG A 634 12.404 3.651 -6.684 1.00 0.00 N ATOM 0 H ARG A 634 10.264 2.409 -1.315 1.00 0.00 H new ATOM 0 HA ARG A 634 8.699 4.837 -1.983 1.00 0.00 H new ATOM 0 HB2 ARG A 634 8.351 2.017 -3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 634 7.287 3.374 -3.419 1.00 0.00 H new ATOM 0 HG2 ARG A 634 9.422 4.666 -4.123 1.00 0.00 H new ATOM 0 HG3 ARG A 634 10.230 3.111 -4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 634 8.344 2.458 -5.867 1.00 0.00 H new ATOM 0 HD3 ARG A 634 8.214 4.194 -6.071 1.00 0.00 H new ATOM 0 HE ARG A 634 10.089 2.763 -7.408 1.00 0.00 H new ATOM 0 HH11 ARG A 634 10.259 5.725 -5.557 1.00 0.00 H new ATOM 0 HH12 ARG A 634 12.012 5.869 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 634 12.507 2.703 -7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 634 13.229 4.231 -6.531 1.00 0.00 H new ATOM 900 N TYR A 635 8.223 2.528 0.196 1.00 0.00 N ATOM 901 CA TYR A 635 7.459 2.201 1.396 1.00 0.00 C ATOM 902 C TYR A 635 8.335 2.243 2.660 1.00 0.00 C ATOM 903 O TYR A 635 7.848 1.968 3.754 1.00 0.00 O ATOM 904 CB TYR A 635 6.755 0.856 1.165 1.00 0.00 C ATOM 905 CG TYR A 635 5.903 0.820 -0.100 1.00 0.00 C ATOM 906 CD1 TYR A 635 4.830 1.721 -0.262 1.00 0.00 C ATOM 907 CD2 TYR A 635 6.222 -0.066 -1.149 1.00 0.00 C ATOM 908 CE1 TYR A 635 4.091 1.742 -1.460 1.00 0.00 C ATOM 909 CE2 TYR A 635 5.476 -0.067 -2.342 1.00 0.00 C ATOM 910 CZ TYR A 635 4.405 0.842 -2.504 1.00 0.00 C ATOM 911 OH TYR A 635 3.665 0.849 -3.650 1.00 0.00 O ATOM 0 H TYR A 635 9.088 1.995 0.105 1.00 0.00 H new ATOM 0 HA TYR A 635 6.693 2.955 1.578 1.00 0.00 H new ATOM 0 HB2 TYR A 635 7.506 0.068 1.110 1.00 0.00 H new ATOM 0 HB3 TYR A 635 6.123 0.634 2.025 1.00 0.00 H new ATOM 0 HD1 TYR A 635 4.574 2.399 0.538 1.00 0.00 H new ATOM 0 HD2 TYR A 635 7.048 -0.752 -1.036 1.00 0.00 H new ATOM 0 HE1 TYR A 635 3.282 2.447 -1.582 1.00 0.00 H new ATOM 0 HE2 TYR A 635 5.721 -0.761 -3.133 1.00 0.00 H new ATOM 0 HH TYR A 635 4.011 0.171 -4.267 1.00 0.00 H new ATOM 921 N ASN A 636 9.612 2.621 2.505 1.00 0.00 N ATOM 922 CA ASN A 636 10.677 2.703 3.502 1.00 0.00 C ATOM 923 C ASN A 636 10.749 1.522 4.473 1.00 0.00 C ATOM 924 O ASN A 636 11.026 1.682 5.660 1.00 0.00 O ATOM 925 CB ASN A 636 10.711 4.092 4.155 1.00 0.00 C ATOM 926 CG ASN A 636 12.104 4.445 4.676 1.00 0.00 C ATOM 927 OD1 ASN A 636 12.266 4.839 5.824 1.00 0.00 O ATOM 928 ND2 ASN A 636 13.136 4.363 3.839 1.00 0.00 N ATOM 0 H ASN A 636 9.953 2.904 1.586 1.00 0.00 H new ATOM 0 HA ASN A 636 11.618 2.593 2.964 1.00 0.00 H new ATOM 0 HB2 ASN A 636 10.394 4.842 3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 636 9.997 4.123 4.978 1.00 0.00 H new ATOM 0 HD21 ASN A 636 14.069 4.629 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 636 12.993 4.034 2.884 1.00 0.00 H new ATOM 935 N VAL A 637 10.531 0.317 3.945 1.00 0.00 N ATOM 936 CA VAL A 637 10.650 -0.928 4.691 1.00 0.00 C ATOM 937 C VAL A 637 12.126 -1.364 4.655 1.00 0.00 C ATOM 938 O VAL A 637 12.714 -1.457 3.576 1.00 0.00 O ATOM 939 CB VAL A 637 9.688 -1.972 4.085 1.00 0.00 C ATOM 940 CG1 VAL A 637 9.659 -3.253 4.922 1.00 0.00 C ATOM 941 CG2 VAL A 637 8.243 -1.452 4.000 1.00 0.00 C ATOM 0 H VAL A 637 10.263 0.181 2.970 1.00 0.00 H new ATOM 0 HA VAL A 637 10.364 -0.810 5.736 1.00 0.00 H new ATOM 0 HB VAL A 637 10.068 -2.173 3.083 1.00 0.00 H new ATOM 0 HG11 VAL A 637 8.972 -3.968 4.469 1.00 0.00 H new ATOM 0 HG12 VAL A 637 10.659 -3.685 4.961 1.00 0.00 H new ATOM 0 HG13 VAL A 637 9.325 -3.020 5.933 1.00 0.00 H new ATOM 0 HG21 VAL A 637 7.604 -2.222 3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 637 7.886 -1.204 5.000 1.00 0.00 H new ATOM 0 HG23 VAL A 637 8.213 -0.561 3.373 1.00 0.00 H new ATOM 951 N SER A 638 12.738 -1.608 5.823 1.00 0.00 N ATOM 952 CA SER A 638 14.130 -2.010 5.967 1.00 0.00 C ATOM 953 C SER A 638 14.345 -3.396 5.368 1.00 0.00 C ATOM 954 O SER A 638 13.448 -4.233 5.415 1.00 0.00 O ATOM 955 CB SER A 638 14.499 -2.033 7.456 1.00 0.00 C ATOM 956 OG SER A 638 13.987 -0.896 8.123 1.00 0.00 O ATOM 0 H SER A 638 12.255 -1.526 6.718 1.00 0.00 H new ATOM 0 HA SER A 638 14.763 -1.296 5.439 1.00 0.00 H new ATOM 0 HB2 SER A 638 14.105 -2.938 7.918 1.00 0.00 H new ATOM 0 HB3 SER A 638 15.583 -2.066 7.565 1.00 0.00 H new ATOM 0 HG SER A 638 14.234 -0.934 9.071 1.00 0.00 H new ATOM 962 N GLU A 639 15.560 -3.670 4.889 1.00 0.00 N ATOM 963 CA GLU A 639 15.902 -4.866 4.126 1.00 0.00 C ATOM 964 C GLU A 639 15.519 -6.153 4.858 1.00 0.00 C ATOM 965 O GLU A 639 15.025 -7.079 4.228 1.00 0.00 O ATOM 966 CB GLU A 639 17.401 -4.802 3.788 1.00 0.00 C ATOM 967 CG GLU A 639 17.951 -6.100 3.186 1.00 0.00 C ATOM 968 CD GLU A 639 19.359 -5.899 2.621 1.00 0.00 C ATOM 969 OE1 GLU A 639 20.284 -5.710 3.442 1.00 0.00 O ATOM 970 OE2 GLU A 639 19.489 -5.921 1.377 1.00 0.00 O ATOM 0 H GLU A 639 16.355 -3.046 5.027 1.00 0.00 H new ATOM 0 HA GLU A 639 15.323 -4.889 3.203 1.00 0.00 H new ATOM 0 HB2 GLU A 639 17.572 -3.985 3.087 1.00 0.00 H new ATOM 0 HB3 GLU A 639 17.959 -4.567 4.694 1.00 0.00 H new ATOM 0 HG2 GLU A 639 17.971 -6.877 3.950 1.00 0.00 H new ATOM 0 HG3 GLU A 639 17.286 -6.447 2.395 1.00 0.00 H new ATOM 977 N GLU A 640 15.665 -6.189 6.184 1.00 0.00 N ATOM 978 CA GLU A 640 15.309 -7.360 6.994 1.00 0.00 C ATOM 979 C GLU A 640 13.785 -7.531 7.020 1.00 0.00 C ATOM 980 O GLU A 640 13.242 -8.616 6.809 1.00 0.00 O ATOM 981 CB GLU A 640 15.879 -7.160 8.408 1.00 0.00 C ATOM 982 CG GLU A 640 15.576 -8.331 9.353 1.00 0.00 C ATOM 983 CD GLU A 640 16.158 -8.077 10.746 1.00 0.00 C ATOM 984 OE1 GLU A 640 15.621 -7.178 11.434 1.00 0.00 O ATOM 985 OE2 GLU A 640 17.131 -8.777 11.103 1.00 0.00 O ATOM 0 H GLU A 640 16.033 -5.409 6.728 1.00 0.00 H new ATOM 0 HA GLU A 640 15.732 -8.269 6.566 1.00 0.00 H new ATOM 0 HB2 GLU A 640 16.959 -7.025 8.342 1.00 0.00 H new ATOM 0 HB3 GLU A 640 15.468 -6.244 8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 640 14.498 -8.474 9.426 1.00 0.00 H new ATOM 0 HG3 GLU A 640 15.993 -9.251 8.943 1.00 0.00 H new ATOM 992 N LYS A 641 13.104 -6.405 7.236 1.00 0.00 N ATOM 993 CA LYS A 641 11.660 -6.251 7.294 1.00 0.00 C ATOM 994 C LYS A 641 11.012 -6.456 5.923 1.00 0.00 C ATOM 995 O LYS A 641 9.793 -6.591 5.868 1.00 0.00 O ATOM 996 CB LYS A 641 11.370 -4.849 7.863 1.00 0.00 C ATOM 997 CG LYS A 641 10.446 -4.822 9.080 1.00 0.00 C ATOM 998 CD LYS A 641 8.938 -4.731 8.791 1.00 0.00 C ATOM 999 CE LYS A 641 8.240 -6.079 8.605 1.00 0.00 C ATOM 1000 NZ LYS A 641 8.311 -6.920 9.817 1.00 0.00 N ATOM 0 H LYS A 641 13.586 -5.518 7.385 1.00 0.00 H new ATOM 0 HA LYS A 641 11.225 -7.014 7.939 1.00 0.00 H new ATOM 0 HB2 LYS A 641 12.316 -4.381 8.134 1.00 0.00 H new ATOM 0 HB3 LYS A 641 10.927 -4.239 7.076 1.00 0.00 H new ATOM 0 HG2 LYS A 641 10.628 -5.722 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 641 10.726 -3.973 9.703 1.00 0.00 H new ATOM 0 HD2 LYS A 641 8.456 -4.198 9.611 1.00 0.00 H new ATOM 0 HD3 LYS A 641 8.790 -4.133 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 641 7.195 -5.911 8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 641 8.697 -6.610 7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 641 7.648 -7.717 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 641 9.278 -7.285 9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 641 8.056 -6.351 10.650 1.00 0.00 H new ATOM 1014 N VAL A 642 11.799 -6.480 4.842 1.00 0.00 N ATOM 1015 CA VAL A 642 11.407 -6.978 3.521 1.00 0.00 C ATOM 1016 C VAL A 642 11.786 -8.453 3.356 1.00 0.00 C ATOM 1017 O VAL A 642 10.934 -9.223 2.922 1.00 0.00 O ATOM 1018 CB VAL A 642 11.998 -6.136 2.363 1.00 0.00 C ATOM 1019 CG1 VAL A 642 11.380 -6.573 1.027 1.00 0.00 C ATOM 1020 CG2 VAL A 642 11.710 -4.638 2.480 1.00 0.00 C ATOM 0 H VAL A 642 12.761 -6.141 4.865 1.00 0.00 H new ATOM 0 HA VAL A 642 10.323 -6.882 3.465 1.00 0.00 H new ATOM 0 HB VAL A 642 13.074 -6.303 2.414 1.00 0.00 H new ATOM 0 HG11 VAL A 642 11.801 -5.976 0.219 1.00 0.00 H new ATOM 0 HG12 VAL A 642 11.599 -7.626 0.852 1.00 0.00 H new ATOM 0 HG13 VAL A 642 10.300 -6.428 1.061 1.00 0.00 H new ATOM 0 HG21 VAL A 642 12.155 -4.115 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 642 10.632 -4.474 2.482 1.00 0.00 H new ATOM 0 HG23 VAL A 642 12.137 -4.257 3.408 1.00 0.00 H new ATOM 1030 N GLU A 643 13.011 -8.875 3.689 1.00 0.00 N ATOM 1031 CA GLU A 643 13.465 -10.259 3.522 1.00 0.00 C ATOM 1032 C GLU A 643 12.565 -11.245 4.265 1.00 0.00 C ATOM 1033 O GLU A 643 12.347 -12.364 3.796 1.00 0.00 O ATOM 1034 CB GLU A 643 14.933 -10.416 3.958 1.00 0.00 C ATOM 1035 CG GLU A 643 15.909 -10.238 2.786 1.00 0.00 C ATOM 1036 CD GLU A 643 15.896 -11.456 1.851 1.00 0.00 C ATOM 1037 OE1 GLU A 643 16.685 -12.393 2.108 1.00 0.00 O ATOM 1038 OE2 GLU A 643 15.080 -11.451 0.902 1.00 0.00 O ATOM 0 H GLU A 643 13.721 -8.259 4.086 1.00 0.00 H new ATOM 0 HA GLU A 643 13.399 -10.495 2.460 1.00 0.00 H new ATOM 0 HB2 GLU A 643 15.160 -9.683 4.732 1.00 0.00 H new ATOM 0 HB3 GLU A 643 15.075 -11.402 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 643 15.643 -9.343 2.223 1.00 0.00 H new ATOM 0 HG3 GLU A 643 16.917 -10.085 3.171 1.00 0.00 H new ATOM 1045 N GLU A 644 11.968 -10.827 5.383 1.00 0.00 N ATOM 1046 CA GLU A 644 10.978 -11.662 6.038 1.00 0.00 C ATOM 1047 C GLU A 644 9.753 -11.867 5.137 1.00 0.00 C ATOM 1048 O GLU A 644 9.276 -12.988 5.013 1.00 0.00 O ATOM 1049 CB GLU A 644 10.618 -11.126 7.429 1.00 0.00 C ATOM 1050 CG GLU A 644 9.536 -10.049 7.381 1.00 0.00 C ATOM 1051 CD GLU A 644 9.202 -9.452 8.738 1.00 0.00 C ATOM 1052 OE1 GLU A 644 10.083 -8.810 9.355 1.00 0.00 O ATOM 1053 OE2 GLU A 644 8.003 -9.447 9.110 1.00 0.00 O ATOM 0 H GLU A 644 12.152 -9.934 5.840 1.00 0.00 H new ATOM 0 HA GLU A 644 11.415 -12.647 6.202 1.00 0.00 H new ATOM 0 HB2 GLU A 644 10.277 -11.951 8.055 1.00 0.00 H new ATOM 0 HB3 GLU A 644 11.512 -10.717 7.899 1.00 0.00 H new ATOM 0 HG2 GLU A 644 9.861 -9.251 6.714 1.00 0.00 H new ATOM 0 HG3 GLU A 644 8.631 -10.476 6.950 1.00 0.00 H new ATOM 1060 N LEU A 645 9.266 -10.805 4.479 1.00 0.00 N ATOM 1061 CA LEU A 645 8.121 -10.822 3.569 1.00 0.00 C ATOM 1062 C LEU A 645 8.454 -11.769 2.430 1.00 0.00 C ATOM 1063 O LEU A 645 7.640 -12.617 2.063 1.00 0.00 O ATOM 1064 CB LEU A 645 7.763 -9.417 3.045 1.00 0.00 C ATOM 1065 CG LEU A 645 7.735 -8.328 4.130 1.00 0.00 C ATOM 1066 CD1 LEU A 645 7.507 -6.956 3.493 1.00 0.00 C ATOM 1067 CD2 LEU A 645 6.680 -8.571 5.215 1.00 0.00 C ATOM 0 H LEU A 645 9.678 -9.877 4.573 1.00 0.00 H new ATOM 0 HA LEU A 645 7.237 -11.166 4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 645 8.484 -9.132 2.279 1.00 0.00 H new ATOM 0 HB3 LEU A 645 6.786 -9.459 2.563 1.00 0.00 H new ATOM 0 HG LEU A 645 8.707 -8.364 4.622 1.00 0.00 H new ATOM 0 HD11 LEU A 645 7.489 -6.192 4.271 1.00 0.00 H new ATOM 0 HD12 LEU A 645 8.314 -6.742 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 645 6.555 -6.955 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 645 6.718 -7.764 5.946 1.00 0.00 H new ATOM 0 HD22 LEU A 645 5.690 -8.602 4.760 1.00 0.00 H new ATOM 0 HD23 LEU A 645 6.881 -9.520 5.712 1.00 0.00 H new ATOM 1079 N ILE A 646 9.683 -11.645 1.926 1.00 0.00 N ATOM 1080 CA ILE A 646 10.223 -12.488 0.886 1.00 0.00 C ATOM 1081 C ILE A 646 10.177 -13.944 1.338 1.00 0.00 C ATOM 1082 O ILE A 646 9.737 -14.772 0.541 1.00 0.00 O ATOM 1083 CB ILE A 646 11.624 -11.988 0.459 1.00 0.00 C ATOM 1084 CG1 ILE A 646 11.455 -10.577 -0.148 1.00 0.00 C ATOM 1085 CG2 ILE A 646 12.253 -12.992 -0.521 1.00 0.00 C ATOM 1086 CD1 ILE A 646 12.730 -9.821 -0.534 1.00 0.00 C ATOM 0 H ILE A 646 10.339 -10.933 2.246 1.00 0.00 H new ATOM 0 HA ILE A 646 9.613 -12.430 -0.016 1.00 0.00 H new ATOM 0 HB ILE A 646 12.305 -11.917 1.307 1.00 0.00 H new ATOM 0 HG12 ILE A 646 10.833 -10.665 -1.038 1.00 0.00 H new ATOM 0 HG13 ILE A 646 10.904 -9.966 0.567 1.00 0.00 H new ATOM 0 HG21 ILE A 646 13.240 -12.639 -0.821 1.00 0.00 H new ATOM 0 HG22 ILE A 646 12.348 -13.963 -0.036 1.00 0.00 H new ATOM 0 HG23 ILE A 646 11.618 -13.087 -1.402 1.00 0.00 H new ATOM 0 HD11 ILE A 646 12.465 -8.847 -0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 646 13.353 -9.683 0.350 1.00 0.00 H new ATOM 0 HD13 ILE A 646 13.281 -10.393 -1.281 1.00 0.00 H new ATOM 1098 N ARG A 647 10.548 -14.286 2.586 1.00 0.00 N ATOM 1099 CA ARG A 647 10.412 -15.688 2.986 1.00 0.00 C ATOM 1100 C ARG A 647 8.946 -16.053 3.160 1.00 0.00 C ATOM 1101 O ARG A 647 8.500 -17.001 2.535 1.00 0.00 O ATOM 1102 CB ARG A 647 11.318 -16.125 4.153 1.00 0.00 C ATOM 1103 CG ARG A 647 10.962 -15.686 5.586 1.00 0.00 C ATOM 1104 CD ARG A 647 11.485 -16.654 6.660 1.00 0.00 C ATOM 1105 NE ARG A 647 10.867 -17.989 6.544 1.00 0.00 N ATOM 1106 CZ ARG A 647 11.109 -19.084 7.272 1.00 0.00 C ATOM 1107 NH1 ARG A 647 11.935 -19.012 8.316 1.00 0.00 N ATOM 1108 NH2 ARG A 647 10.533 -20.246 6.956 1.00 0.00 N ATOM 0 H ARG A 647 10.921 -13.652 3.292 1.00 0.00 H new ATOM 0 HA ARG A 647 10.802 -16.285 2.162 1.00 0.00 H new ATOM 0 HB2 ARG A 647 11.361 -17.214 4.145 1.00 0.00 H new ATOM 0 HB3 ARG A 647 12.324 -15.764 3.940 1.00 0.00 H new ATOM 0 HG2 ARG A 647 11.374 -14.693 5.768 1.00 0.00 H new ATOM 0 HG3 ARG A 647 9.879 -15.603 5.676 1.00 0.00 H new ATOM 0 HD2 ARG A 647 12.567 -16.746 6.570 1.00 0.00 H new ATOM 0 HD3 ARG A 647 11.281 -16.244 7.649 1.00 0.00 H new ATOM 0 HE ARG A 647 10.163 -18.090 5.813 1.00 0.00 H new ATOM 0 HH11 ARG A 647 12.378 -18.125 8.555 1.00 0.00 H new ATOM 0 HH12 ARG A 647 12.124 -19.844 8.875 1.00 0.00 H new ATOM 0 HH21 ARG A 647 9.904 -20.302 6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 647 10.722 -21.078 7.516 1.00 0.00 H new ATOM 1122 N ILE A 648 8.168 -15.274 3.910 1.00 0.00 N ATOM 1123 CA ILE A 648 6.783 -15.577 4.258 1.00 0.00 C ATOM 1124 C ILE A 648 5.995 -15.889 2.991 1.00 0.00 C ATOM 1125 O ILE A 648 5.362 -16.939 2.905 1.00 0.00 O ATOM 1126 CB ILE A 648 6.191 -14.396 5.044 1.00 0.00 C ATOM 1127 CG1 ILE A 648 6.866 -14.306 6.434 1.00 0.00 C ATOM 1128 CG2 ILE A 648 4.676 -14.489 5.241 1.00 0.00 C ATOM 1129 CD1 ILE A 648 6.740 -12.923 7.060 1.00 0.00 C ATOM 0 H ILE A 648 8.494 -14.391 4.302 1.00 0.00 H new ATOM 0 HA ILE A 648 6.730 -16.459 4.896 1.00 0.00 H new ATOM 0 HB ILE A 648 6.386 -13.504 4.448 1.00 0.00 H new ATOM 0 HG12 ILE A 648 6.418 -15.044 7.099 1.00 0.00 H new ATOM 0 HG13 ILE A 648 7.921 -14.562 6.338 1.00 0.00 H new ATOM 0 HG21 ILE A 648 4.328 -13.622 5.803 1.00 0.00 H new ATOM 0 HG22 ILE A 648 4.183 -14.512 4.269 1.00 0.00 H new ATOM 0 HG23 ILE A 648 4.436 -15.399 5.791 1.00 0.00 H new ATOM 0 HD11 ILE A 648 7.231 -12.918 8.033 1.00 0.00 H new ATOM 0 HD12 ILE A 648 7.213 -12.186 6.411 1.00 0.00 H new ATOM 0 HD13 ILE A 648 5.686 -12.675 7.184 1.00 0.00 H new ATOM 1141 N LEU A 649 6.027 -15.015 1.983 1.00 0.00 N ATOM 1142 CA LEU A 649 5.265 -15.287 0.781 1.00 0.00 C ATOM 1143 C LEU A 649 5.798 -16.503 -0.008 1.00 0.00 C ATOM 1144 O LEU A 649 5.034 -17.146 -0.730 1.00 0.00 O ATOM 1145 CB LEU A 649 5.165 -14.026 -0.083 1.00 0.00 C ATOM 1146 CG LEU A 649 4.148 -13.015 0.469 1.00 0.00 C ATOM 1147 CD1 LEU A 649 4.734 -12.006 1.456 1.00 0.00 C ATOM 1148 CD2 LEU A 649 3.513 -12.253 -0.694 1.00 0.00 C ATOM 0 H LEU A 649 6.556 -14.143 1.979 1.00 0.00 H new ATOM 0 HA LEU A 649 4.257 -15.567 1.088 1.00 0.00 H new ATOM 0 HB2 LEU A 649 6.145 -13.553 -0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 649 4.881 -14.306 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 649 3.413 -13.599 1.022 1.00 0.00 H new ATOM 0 HD11 LEU A 649 3.949 -11.331 1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 649 5.153 -12.535 2.312 1.00 0.00 H new ATOM 0 HD13 LEU A 649 5.519 -11.431 0.965 1.00 0.00 H new ATOM 0 HD21 LEU A 649 2.791 -11.534 -0.307 1.00 0.00 H new ATOM 0 HD22 LEU A 649 4.288 -11.725 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 649 3.007 -12.956 -1.356 1.00 0.00 H new ATOM 1160 N LYS A 650 7.084 -16.839 0.139 1.00 0.00 N ATOM 1161 CA LYS A 650 7.705 -18.031 -0.470 1.00 0.00 C ATOM 1162 C LYS A 650 7.215 -19.282 0.253 1.00 0.00 C ATOM 1163 O LYS A 650 6.848 -20.280 -0.359 1.00 0.00 O ATOM 1164 CB LYS A 650 9.258 -17.989 -0.469 1.00 0.00 C ATOM 1165 CG LYS A 650 9.888 -17.107 -1.562 1.00 0.00 C ATOM 1166 CD LYS A 650 11.396 -16.839 -1.410 1.00 0.00 C ATOM 1167 CE LYS A 650 12.262 -18.094 -1.366 1.00 0.00 C ATOM 1168 NZ LYS A 650 13.698 -17.767 -1.178 1.00 0.00 N ATOM 0 H LYS A 650 7.737 -16.285 0.692 1.00 0.00 H new ATOM 0 HA LYS A 650 7.401 -18.049 -1.517 1.00 0.00 H new ATOM 0 HB2 LYS A 650 9.596 -17.632 0.504 1.00 0.00 H new ATOM 0 HB3 LYS A 650 9.634 -19.006 -0.583 1.00 0.00 H new ATOM 0 HG2 LYS A 650 9.716 -17.579 -2.529 1.00 0.00 H new ATOM 0 HG3 LYS A 650 9.366 -16.150 -1.578 1.00 0.00 H new ATOM 0 HD2 LYS A 650 11.726 -16.214 -2.240 1.00 0.00 H new ATOM 0 HD3 LYS A 650 11.560 -16.268 -0.496 1.00 0.00 H new ATOM 0 HE2 LYS A 650 11.927 -18.739 -0.554 1.00 0.00 H new ATOM 0 HE3 LYS A 650 12.135 -18.656 -2.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 650 14.225 -18.634 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 650 14.077 -17.351 -2.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 650 13.800 -17.086 -0.399 1.00 0.00 H new ATOM 1182 N ASP A 651 7.167 -19.181 1.573 1.00 0.00 N ATOM 1183 CA ASP A 651 6.779 -20.179 2.552 1.00 0.00 C ATOM 1184 C ASP A 651 5.296 -20.516 2.356 1.00 0.00 C ATOM 1185 O ASP A 651 4.902 -21.679 2.410 1.00 0.00 O ATOM 1186 CB ASP A 651 7.008 -19.578 3.949 1.00 0.00 C ATOM 1187 CG ASP A 651 8.396 -19.768 4.561 1.00 0.00 C ATOM 1188 OD1 ASP A 651 8.728 -20.874 5.036 1.00 0.00 O ATOM 1189 OD2 ASP A 651 9.124 -18.764 4.699 1.00 0.00 O ATOM 0 H ASP A 651 7.426 -18.306 2.029 1.00 0.00 H new ATOM 0 HA ASP A 651 7.364 -21.092 2.440 1.00 0.00 H new ATOM 0 HB2 ASP A 651 6.803 -18.509 3.897 1.00 0.00 H new ATOM 0 HB3 ASP A 651 6.274 -20.010 4.629 1.00 0.00 H new ATOM 1194 N LYS A 652 4.478 -19.492 2.078 1.00 0.00 N ATOM 1195 CA LYS A 652 3.066 -19.617 1.718 1.00 0.00 C ATOM 1196 C LYS A 652 2.863 -20.280 0.353 1.00 0.00 C ATOM 1197 O LYS A 652 1.727 -20.630 0.039 1.00 0.00 O ATOM 1198 CB LYS A 652 2.426 -18.215 1.704 1.00 0.00 C ATOM 1199 CG LYS A 652 1.993 -17.711 3.095 1.00 0.00 C ATOM 1200 CD LYS A 652 2.336 -16.229 3.314 1.00 0.00 C ATOM 1201 CE LYS A 652 1.334 -15.492 4.216 1.00 0.00 C ATOM 1202 NZ LYS A 652 1.576 -14.030 4.271 1.00 0.00 N ATOM 0 H LYS A 652 4.795 -18.523 2.099 1.00 0.00 H new ATOM 0 HA LYS A 652 2.591 -20.256 2.462 1.00 0.00 H new ATOM 0 HB2 LYS A 652 3.136 -17.507 1.277 1.00 0.00 H new ATOM 0 HB3 LYS A 652 1.556 -18.230 1.047 1.00 0.00 H new ATOM 0 HG2 LYS A 652 0.919 -17.854 3.212 1.00 0.00 H new ATOM 0 HG3 LYS A 652 2.480 -18.311 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 652 3.330 -16.156 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 652 2.378 -15.728 2.347 1.00 0.00 H new ATOM 0 HE2 LYS A 652 0.323 -15.675 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 652 1.389 -15.903 5.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 652 1.933 -13.772 5.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 652 2.278 -13.767 3.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 652 0.686 -13.524 4.088 1.00 0.00 H new ATOM 1216 N GLY A 653 3.904 -20.408 -0.480 1.00 0.00 N ATOM 1217 CA GLY A 653 3.734 -20.782 -1.876 1.00 0.00 C ATOM 1218 C GLY A 653 2.943 -19.725 -2.651 1.00 0.00 C ATOM 1219 O GLY A 653 2.303 -20.060 -3.644 1.00 0.00 O ATOM 0 H GLY A 653 4.874 -20.256 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 653 4.712 -20.917 -2.339 1.00 0.00 H new ATOM 0 HA3 GLY A 653 3.218 -21.740 -1.936 1.00 0.00 H new ATOM 1223 N ALA A 654 2.960 -18.461 -2.201 1.00 0.00 N ATOM 1224 CA ALA A 654 2.436 -17.343 -2.973 1.00 0.00 C ATOM 1225 C ALA A 654 3.465 -16.912 -4.019 1.00 0.00 C ATOM 1226 O ALA A 654 3.106 -16.560 -5.145 1.00 0.00 O ATOM 1227 CB ALA A 654 2.091 -16.182 -2.036 1.00 0.00 C ATOM 0 H ALA A 654 3.338 -18.194 -1.292 1.00 0.00 H new ATOM 0 HA ALA A 654 1.526 -17.650 -3.489 1.00 0.00 H new ATOM 0 HB1 ALA A 654 1.699 -15.348 -2.619 1.00 0.00 H new ATOM 0 HB2 ALA A 654 1.339 -16.506 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 654 2.988 -15.864 -1.505 1.00 0.00 H new ATOM 1233 N ILE A 655 4.750 -16.951 -3.653 1.00 0.00 N ATOM 1234 CA ILE A 655 5.854 -16.642 -4.547 1.00 0.00 C ATOM 1235 C ILE A 655 6.888 -17.748 -4.427 1.00 0.00 C ATOM 1236 O ILE A 655 6.742 -18.686 -3.641 1.00 0.00 O ATOM 1237 CB ILE A 655 6.431 -15.235 -4.280 1.00 0.00 C ATOM 1238 CG1 ILE A 655 7.081 -15.153 -2.895 1.00 0.00 C ATOM 1239 CG2 ILE A 655 5.306 -14.215 -4.446 1.00 0.00 C ATOM 1240 CD1 ILE A 655 7.776 -13.834 -2.553 1.00 0.00 C ATOM 0 H ILE A 655 5.050 -17.203 -2.711 1.00 0.00 H new ATOM 0 HA ILE A 655 5.503 -16.607 -5.578 1.00 0.00 H new ATOM 0 HB ILE A 655 7.222 -15.016 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 655 6.313 -15.341 -2.144 1.00 0.00 H new ATOM 0 HG13 ILE A 655 7.812 -15.957 -2.811 1.00 0.00 H new ATOM 0 HG21 ILE A 655 5.693 -13.213 -4.261 1.00 0.00 H new ATOM 0 HG22 ILE A 655 4.911 -14.270 -5.461 1.00 0.00 H new ATOM 0 HG23 ILE A 655 4.509 -14.433 -3.735 1.00 0.00 H new ATOM 0 HD11 ILE A 655 8.198 -13.894 -1.550 1.00 0.00 H new ATOM 0 HD12 ILE A 655 8.574 -13.646 -3.271 1.00 0.00 H new ATOM 0 HD13 ILE A 655 7.052 -13.020 -2.594 1.00 0.00 H new ATOM 1252 N PHE A 656 7.928 -17.643 -5.237 1.00 0.00 N ATOM 1253 CA PHE A 656 8.968 -18.629 -5.330 1.00 0.00 C ATOM 1254 C PHE A 656 10.235 -17.957 -5.823 1.00 0.00 C ATOM 1255 O PHE A 656 10.177 -16.853 -6.361 1.00 0.00 O ATOM 1256 CB PHE A 656 8.497 -19.709 -6.302 1.00 0.00 C ATOM 1257 CG PHE A 656 9.215 -21.009 -6.068 1.00 0.00 C ATOM 1258 CD1 PHE A 656 8.904 -21.763 -4.924 1.00 0.00 C ATOM 1259 CD2 PHE A 656 10.236 -21.411 -6.941 1.00 0.00 C ATOM 1260 CE1 PHE A 656 9.620 -22.945 -4.661 1.00 0.00 C ATOM 1261 CE2 PHE A 656 10.956 -22.588 -6.674 1.00 0.00 C ATOM 1262 CZ PHE A 656 10.643 -23.356 -5.536 1.00 0.00 C ATOM 0 H PHE A 656 8.067 -16.847 -5.859 1.00 0.00 H new ATOM 0 HA PHE A 656 9.181 -19.085 -4.363 1.00 0.00 H new ATOM 0 HB2 PHE A 656 7.423 -19.859 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 656 8.666 -19.377 -7.326 1.00 0.00 H new ATOM 0 HD1 PHE A 656 8.123 -21.438 -4.253 1.00 0.00 H new ATOM 0 HD2 PHE A 656 10.468 -20.819 -7.814 1.00 0.00 H new ATOM 0 HE1 PHE A 656 9.385 -23.537 -3.789 1.00 0.00 H new ATOM 0 HE2 PHE A 656 11.747 -22.902 -7.339 1.00 0.00 H new ATOM 0 HZ PHE A 656 11.190 -24.265 -5.334 1.00 0.00 H new ATOM 1272 N GLU A 657 11.368 -18.644 -5.696 1.00 0.00 N ATOM 1273 CA GLU A 657 12.650 -18.150 -6.163 1.00 0.00 C ATOM 1274 C GLU A 657 13.214 -19.151 -7.185 1.00 0.00 C ATOM 1275 O GLU A 657 14.032 -19.998 -6.831 1.00 0.00 O ATOM 1276 CB GLU A 657 13.538 -17.835 -4.952 1.00 0.00 C ATOM 1277 CG GLU A 657 14.825 -17.121 -5.376 1.00 0.00 C ATOM 1278 CD GLU A 657 15.636 -16.512 -4.233 1.00 0.00 C ATOM 1279 OE1 GLU A 657 15.267 -16.747 -3.055 1.00 0.00 O ATOM 1280 OE2 GLU A 657 16.618 -15.806 -4.568 1.00 0.00 O ATOM 0 H GLU A 657 11.417 -19.566 -5.262 1.00 0.00 H new ATOM 0 HA GLU A 657 12.575 -17.204 -6.700 1.00 0.00 H new ATOM 0 HB2 GLU A 657 12.988 -17.210 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 657 13.787 -18.759 -4.431 1.00 0.00 H new ATOM 0 HG2 GLU A 657 15.456 -17.831 -5.911 1.00 0.00 H new ATOM 0 HG3 GLU A 657 14.568 -16.330 -6.080 1.00 0.00 H new ATOM 1287 N PRO A 658 12.750 -19.106 -8.452 1.00 0.00 N ATOM 1288 CA PRO A 658 13.194 -19.999 -9.528 1.00 0.00 C ATOM 1289 C PRO A 658 14.657 -19.774 -9.920 1.00 0.00 C ATOM 1290 O PRO A 658 15.293 -20.673 -10.467 1.00 0.00 O ATOM 1291 CB PRO A 658 12.315 -19.676 -10.736 1.00 0.00 C ATOM 1292 CG PRO A 658 11.916 -18.237 -10.464 1.00 0.00 C ATOM 1293 CD PRO A 658 11.712 -18.228 -8.961 1.00 0.00 C ATOM 0 HA PRO A 658 13.111 -21.033 -9.193 1.00 0.00 H new ATOM 0 HB2 PRO A 658 12.859 -19.777 -11.675 1.00 0.00 H new ATOM 0 HB3 PRO A 658 11.449 -20.335 -10.797 1.00 0.00 H new ATOM 0 HG2 PRO A 658 12.692 -17.536 -10.772 1.00 0.00 H new ATOM 0 HG3 PRO A 658 11.007 -17.961 -10.998 1.00 0.00 H new ATOM 0 HD2 PRO A 658 11.807 -17.222 -8.553 1.00 0.00 H new ATOM 0 HD3 PRO A 658 10.719 -18.589 -8.692 1.00 0.00 H new ATOM 1301 N ALA A 659 15.174 -18.568 -9.675 1.00 0.00 N ATOM 1302 CA ALA A 659 16.566 -18.213 -9.832 1.00 0.00 C ATOM 1303 C ALA A 659 16.949 -17.419 -8.606 1.00 0.00 C ATOM 1304 O ALA A 659 16.123 -16.689 -8.062 1.00 0.00 O ATOM 1305 CB ALA A 659 16.777 -17.337 -11.064 1.00 0.00 C ATOM 0 H ALA A 659 14.602 -17.788 -9.349 1.00 0.00 H new ATOM 0 HA ALA A 659 17.168 -19.113 -9.952 1.00 0.00 H new ATOM 0 HB1 ALA A 659 17.834 -17.086 -11.156 1.00 0.00 H new ATOM 0 HB2 ALA A 659 16.454 -17.877 -11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 659 16.194 -16.421 -10.963 1.00 0.00 H new ATOM 1311 N ARG A 660 18.222 -17.500 -8.238 1.00 0.00 N ATOM 1312 CA ARG A 660 18.753 -16.754 -7.117 1.00 0.00 C ATOM 1313 C ARG A 660 18.686 -15.292 -7.499 1.00 0.00 C ATOM 1314 O ARG A 660 19.365 -14.862 -8.431 1.00 0.00 O ATOM 1315 CB ARG A 660 20.171 -17.208 -6.749 1.00 0.00 C ATOM 1316 CG ARG A 660 20.081 -18.097 -5.503 1.00 0.00 C ATOM 1317 CD ARG A 660 21.426 -18.727 -5.113 1.00 0.00 C ATOM 1318 NE ARG A 660 22.462 -17.721 -4.804 1.00 0.00 N ATOM 1319 CZ ARG A 660 22.556 -16.972 -3.694 1.00 0.00 C ATOM 1320 NH1 ARG A 660 21.653 -17.074 -2.718 1.00 0.00 N ATOM 1321 NH2 ARG A 660 23.565 -16.110 -3.564 1.00 0.00 N ATOM 0 H ARG A 660 18.910 -18.086 -8.711 1.00 0.00 H new ATOM 0 HA ARG A 660 18.165 -16.932 -6.216 1.00 0.00 H new ATOM 0 HB2 ARG A 660 20.621 -17.757 -7.576 1.00 0.00 H new ATOM 0 HB3 ARG A 660 20.808 -16.345 -6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 660 19.709 -17.504 -4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 660 19.354 -18.889 -5.681 1.00 0.00 H new ATOM 0 HD2 ARG A 660 21.282 -19.372 -4.246 1.00 0.00 H new ATOM 0 HD3 ARG A 660 21.774 -19.362 -5.928 1.00 0.00 H new ATOM 0 HE ARG A 660 23.184 -17.580 -5.510 1.00 0.00 H new ATOM 0 HH11 ARG A 660 20.876 -17.729 -2.808 1.00 0.00 H new ATOM 0 HH12 ARG A 660 21.739 -16.497 -1.881 1.00 0.00 H new ATOM 0 HH21 ARG A 660 24.260 -16.023 -4.306 1.00 0.00 H new ATOM 0 HH22 ARG A 660 23.642 -15.538 -2.723 1.00 0.00 H new ATOM 1335 N GLY A 661 17.815 -14.568 -6.809 1.00 0.00 N ATOM 1336 CA GLY A 661 17.572 -13.172 -7.096 1.00 0.00 C ATOM 1337 C GLY A 661 16.437 -12.886 -8.072 1.00 0.00 C ATOM 1338 O GLY A 661 16.297 -11.725 -8.440 1.00 0.00 O ATOM 0 H GLY A 661 17.261 -14.937 -6.036 1.00 0.00 H new ATOM 0 HA2 GLY A 661 17.358 -12.659 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 661 18.488 -12.737 -7.495 1.00 0.00 H new ATOM 1342 N TYR A 662 15.612 -13.868 -8.455 1.00 0.00 N ATOM 1343 CA TYR A 662 14.352 -13.647 -9.166 1.00 0.00 C ATOM 1344 C TYR A 662 13.247 -14.204 -8.279 1.00 0.00 C ATOM 1345 O TYR A 662 13.226 -15.408 -8.034 1.00 0.00 O ATOM 1346 CB TYR A 662 14.359 -14.371 -10.525 1.00 0.00 C ATOM 1347 CG TYR A 662 13.034 -14.521 -11.279 1.00 0.00 C ATOM 1348 CD1 TYR A 662 11.894 -13.753 -10.971 1.00 0.00 C ATOM 1349 CD2 TYR A 662 12.909 -15.554 -12.228 1.00 0.00 C ATOM 1350 CE1 TYR A 662 10.641 -14.059 -11.531 1.00 0.00 C ATOM 1351 CE2 TYR A 662 11.666 -15.843 -12.825 1.00 0.00 C ATOM 1352 CZ TYR A 662 10.514 -15.109 -12.466 1.00 0.00 C ATOM 1353 OH TYR A 662 9.307 -15.404 -13.027 1.00 0.00 O ATOM 0 H TYR A 662 15.806 -14.853 -8.276 1.00 0.00 H new ATOM 0 HA TYR A 662 14.202 -12.586 -9.366 1.00 0.00 H new ATOM 0 HB2 TYR A 662 15.054 -13.844 -11.178 1.00 0.00 H new ATOM 0 HB3 TYR A 662 14.765 -15.370 -10.367 1.00 0.00 H new ATOM 0 HD1 TYR A 662 11.984 -12.916 -10.294 1.00 0.00 H new ATOM 0 HD2 TYR A 662 13.779 -16.133 -12.502 1.00 0.00 H new ATOM 0 HE1 TYR A 662 9.771 -13.487 -11.244 1.00 0.00 H new ATOM 0 HE2 TYR A 662 11.594 -16.630 -13.561 1.00 0.00 H new ATOM 0 HH TYR A 662 8.887 -14.580 -13.352 1.00 0.00 H new ATOM 1363 N LEU A 663 12.320 -13.355 -7.832 1.00 0.00 N ATOM 1364 CA LEU A 663 11.080 -13.802 -7.218 1.00 0.00 C ATOM 1365 C LEU A 663 9.980 -13.939 -8.262 1.00 0.00 C ATOM 1366 O LEU A 663 9.528 -12.949 -8.832 1.00 0.00 O ATOM 1367 CB LEU A 663 10.643 -12.810 -6.137 1.00 0.00 C ATOM 1368 CG LEU A 663 11.346 -13.076 -4.802 1.00 0.00 C ATOM 1369 CD1 LEU A 663 11.019 -11.922 -3.855 1.00 0.00 C ATOM 1370 CD2 LEU A 663 10.930 -14.434 -4.219 1.00 0.00 C ATOM 0 H LEU A 663 12.413 -12.341 -7.888 1.00 0.00 H new ATOM 0 HA LEU A 663 11.255 -14.778 -6.765 1.00 0.00 H new ATOM 0 HB2 LEU A 663 10.861 -11.794 -6.466 1.00 0.00 H new ATOM 0 HB3 LEU A 663 9.564 -12.875 -5.999 1.00 0.00 H new ATOM 0 HG LEU A 663 12.425 -13.127 -4.948 1.00 0.00 H new ATOM 0 HD11 LEU A 663 11.509 -12.089 -2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 663 11.374 -10.986 -4.286 1.00 0.00 H new ATOM 0 HD13 LEU A 663 9.940 -11.867 -3.707 1.00 0.00 H new ATOM 0 HD21 LEU A 663 11.444 -14.596 -3.272 1.00 0.00 H new ATOM 0 HD22 LEU A 663 9.853 -14.444 -4.053 1.00 0.00 H new ATOM 0 HD23 LEU A 663 11.197 -15.227 -4.917 1.00 0.00 H new ATOM 1382 N LYS A 664 9.534 -15.171 -8.494 1.00 0.00 N ATOM 1383 CA LYS A 664 8.375 -15.481 -9.316 1.00 0.00 C ATOM 1384 C LYS A 664 7.132 -15.460 -8.458 1.00 0.00 C ATOM 1385 O LYS A 664 7.134 -16.025 -7.365 1.00 0.00 O ATOM 1386 CB LYS A 664 8.593 -16.858 -9.956 1.00 0.00 C ATOM 1387 CG LYS A 664 7.359 -17.396 -10.673 1.00 0.00 C ATOM 1388 CD LYS A 664 7.577 -18.708 -11.433 1.00 0.00 C ATOM 1389 CE LYS A 664 6.443 -18.941 -12.455 1.00 0.00 C ATOM 1390 NZ LYS A 664 5.070 -18.684 -11.943 1.00 0.00 N ATOM 0 H LYS A 664 9.982 -16.000 -8.104 1.00 0.00 H new ATOM 0 HA LYS A 664 8.247 -14.741 -10.106 1.00 0.00 H new ATOM 0 HB2 LYS A 664 9.417 -16.794 -10.666 1.00 0.00 H new ATOM 0 HB3 LYS A 664 8.892 -17.566 -9.183 1.00 0.00 H new ATOM 0 HG2 LYS A 664 6.566 -17.545 -9.940 1.00 0.00 H new ATOM 0 HG3 LYS A 664 7.006 -16.640 -11.375 1.00 0.00 H new ATOM 0 HD2 LYS A 664 8.537 -18.681 -11.948 1.00 0.00 H new ATOM 0 HD3 LYS A 664 7.616 -19.540 -10.729 1.00 0.00 H new ATOM 0 HE2 LYS A 664 6.617 -18.301 -13.320 1.00 0.00 H new ATOM 0 HE3 LYS A 664 6.497 -19.972 -12.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 4.387 -18.768 -12.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 4.839 -19.379 -11.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 5.023 -17.725 -11.543 1.00 0.00 H new ATOM 1404 N ILE A 665 6.059 -14.887 -8.997 1.00 0.00 N ATOM 1405 CA ILE A 665 4.721 -15.156 -8.463 1.00 0.00 C ATOM 1406 C ILE A 665 4.327 -16.569 -8.882 1.00 0.00 C ATOM 1407 O ILE A 665 4.382 -16.849 -10.082 1.00 0.00 O ATOM 1408 CB ILE A 665 3.673 -14.129 -8.938 1.00 0.00 C ATOM 1409 CG1 ILE A 665 4.093 -12.729 -8.462 1.00 0.00 C ATOM 1410 CG2 ILE A 665 2.285 -14.511 -8.387 1.00 0.00 C ATOM 1411 CD1 ILE A 665 3.234 -11.586 -8.999 1.00 0.00 C ATOM 0 H ILE A 665 6.084 -14.244 -9.789 1.00 0.00 H new ATOM 0 HA ILE A 665 4.749 -15.068 -7.377 1.00 0.00 H new ATOM 0 HB ILE A 665 3.615 -14.126 -10.026 1.00 0.00 H new ATOM 0 HG12 ILE A 665 4.063 -12.707 -7.373 1.00 0.00 H new ATOM 0 HG13 ILE A 665 5.128 -12.556 -8.756 1.00 0.00 H new ATOM 0 HG21 ILE A 665 1.547 -13.783 -8.724 1.00 0.00 H new ATOM 0 HG22 ILE A 665 2.010 -15.502 -8.749 1.00 0.00 H new ATOM 0 HG23 ILE A 665 2.315 -14.518 -7.297 1.00 0.00 H new ATOM 0 HD11 ILE A 665 3.605 -10.638 -8.610 1.00 0.00 H new ATOM 0 HD12 ILE A 665 3.282 -11.575 -10.088 1.00 0.00 H new ATOM 0 HD13 ILE A 665 2.201 -11.728 -8.683 1.00 0.00 H new ATOM 1423 N VAL A 666 3.967 -17.444 -7.923 1.00 0.00 N ATOM 1424 CA VAL A 666 3.741 -18.867 -8.205 1.00 0.00 C ATOM 1425 C VAL A 666 2.819 -19.090 -9.404 1.00 0.00 C ATOM 1426 O VAL A 666 3.312 -19.770 -10.338 1.00 0.00 O ATOM 1427 CB VAL A 666 3.314 -19.629 -6.928 1.00 0.00 C ATOM 1428 CG1 VAL A 666 2.660 -20.996 -7.189 1.00 0.00 C ATOM 1429 CG2 VAL A 666 4.573 -19.884 -6.090 1.00 0.00 C ATOM 1430 OXT VAL A 666 1.684 -18.570 -9.388 1.00 0.00 O ATOM 0 H VAL A 666 3.827 -17.186 -6.946 1.00 0.00 H new ATOM 0 HA VAL A 666 4.693 -19.301 -8.511 1.00 0.00 H new ATOM 0 HB VAL A 666 2.570 -19.006 -6.431 1.00 0.00 H new ATOM 0 HG11 VAL A 666 2.393 -21.459 -6.239 1.00 0.00 H new ATOM 0 HG12 VAL A 666 1.762 -20.861 -7.792 1.00 0.00 H new ATOM 0 HG13 VAL A 666 3.361 -21.639 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 666 4.302 -20.421 -5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 666 5.280 -20.480 -6.667 1.00 0.00 H new ATOM 0 HG23 VAL A 666 5.033 -18.932 -5.826 1.00 0.00 H new