USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 564 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 ASN : amide:sc= -0.38 X(o=-0.38,f=0) USER MOD Set 1.2: A 99 SER OG : rot -150:sc= 0 USER MOD Set 2.1: A 86 LYS NZ :NH3+ 151:sc= 0 (180deg=0) USER MOD Set 2.2: A 89 HIS : no HE2:sc= -3.71 K(o=-3.7,f=-8.3!) USER MOD Set 3.1: A 72 ASN : amide:sc= -0.812 K(o=-1.9,f=-3.1) USER MOD Set 3.2: A 73 ASN :FLIP amide:sc= -1.1 F(o=-2.9,f=-1.9) USER MOD Set 4.1: A 55 SER OG : rot -174:sc= -1.04 USER MOD Set 4.2: A 82 TYR OH : rot 180:sc= -0.966 USER MOD Single : A 33 HIS : no HD1:sc= -0.052 X(o=-0.052,f=-0.012) USER MOD Single : A 44 GLN : amide:sc= -3.21! C(o=-3.2!,f=-10!) USER MOD Single : A 51 LYS NZ :NH3+ -122:sc= -0.0995 (180deg=-0.642) USER MOD Single : A 54 THR OG1 : rot -106:sc= 0.689 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.0866 X(o=0.087,f=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 CYS SG : rot -132:sc= -1.9 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 GLN : amide:sc= -0.258 K(o=-0.26,f=-2.4!) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 9.070 -9.024 6.097 1.00 0.00 N ATOM 368 CA LEU A 29 9.416 -7.777 6.768 1.00 0.00 C ATOM 369 C LEU A 29 9.915 -8.041 8.185 1.00 0.00 C ATOM 370 O LEU A 29 9.719 -7.224 9.085 1.00 0.00 O ATOM 371 CB LEU A 29 8.207 -6.842 6.807 1.00 0.00 C ATOM 372 CG LEU A 29 7.707 -6.370 5.440 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.274 -5.872 5.539 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.615 -5.281 4.889 1.00 0.00 C ATOM 0 HA LEU A 29 10.217 -7.300 6.203 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.390 -7.351 7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.463 -5.967 7.405 1.00 0.00 H new ATOM 0 HG LEU A 29 7.729 -7.216 4.753 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.935 -5.540 4.557 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.632 -6.679 5.891 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.226 -5.039 6.240 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.245 -4.957 3.916 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.624 -4.434 5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.627 -5.671 4.781 1.00 0.00 H new ATOM 386 N PHE A 30 10.560 -9.187 8.376 1.00 0.00 N ATOM 387 CA PHE A 30 11.087 -9.559 9.684 1.00 0.00 C ATOM 388 C PHE A 30 12.144 -8.562 10.148 1.00 0.00 C ATOM 389 O PHE A 30 12.293 -8.312 11.344 1.00 0.00 O ATOM 390 CB PHE A 30 11.683 -10.967 9.637 1.00 0.00 C ATOM 391 CG PHE A 30 11.963 -11.545 10.994 1.00 0.00 C ATOM 392 CD1 PHE A 30 13.160 -11.284 11.640 1.00 0.00 C ATOM 393 CD2 PHE A 30 11.027 -12.350 11.625 1.00 0.00 C ATOM 394 CE1 PHE A 30 13.420 -11.815 12.889 1.00 0.00 C ATOM 395 CE2 PHE A 30 11.282 -12.884 12.873 1.00 0.00 C ATOM 396 CZ PHE A 30 12.480 -12.616 13.507 1.00 0.00 C ATOM 0 H PHE A 30 10.730 -9.874 7.642 1.00 0.00 H new ATOM 0 HA PHE A 30 10.262 -9.546 10.397 1.00 0.00 H new ATOM 0 HB2 PHE A 30 10.997 -11.626 9.105 1.00 0.00 H new ATOM 0 HB3 PHE A 30 12.610 -10.942 9.063 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.899 -10.658 11.162 1.00 0.00 H new ATOM 0 HD2 PHE A 30 10.088 -12.562 11.135 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.358 -11.604 13.381 1.00 0.00 H new ATOM 0 HE2 PHE A 30 10.545 -13.511 13.353 1.00 0.00 H new ATOM 0 HZ PHE A 30 12.681 -13.032 14.483 1.00 0.00 H new ATOM 406 N ASP A 31 12.877 -7.997 9.195 1.00 0.00 N ATOM 407 CA ASP A 31 13.920 -7.027 9.506 1.00 0.00 C ATOM 408 C ASP A 31 13.323 -5.648 9.764 1.00 0.00 C ATOM 409 O ASP A 31 13.853 -4.870 10.557 1.00 0.00 O ATOM 410 CB ASP A 31 14.933 -6.952 8.361 1.00 0.00 C ATOM 411 CG ASP A 31 16.361 -6.846 8.861 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.782 -5.727 9.222 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.059 -7.881 8.888 1.00 0.00 O ATOM 0 H ASP A 31 12.768 -8.194 8.200 1.00 0.00 H new ATOM 0 HA ASP A 31 14.429 -7.356 10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 31 14.835 -7.838 7.734 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.705 -6.090 7.733 1.00 0.00 H new ATOM 418 N PHE A 32 12.216 -5.352 9.089 1.00 0.00 N ATOM 419 CA PHE A 32 11.546 -4.066 9.246 1.00 0.00 C ATOM 420 C PHE A 32 10.854 -3.975 10.601 1.00 0.00 C ATOM 421 O PHE A 32 10.090 -4.864 10.981 1.00 0.00 O ATOM 422 CB PHE A 32 10.527 -3.859 8.125 1.00 0.00 C ATOM 423 CG PHE A 32 11.126 -3.303 6.864 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.970 -4.076 6.084 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.844 -2.008 6.460 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.522 -3.567 4.923 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.393 -1.494 5.302 1.00 0.00 C ATOM 428 CZ PHE A 32 12.234 -2.275 4.532 1.00 0.00 C ATOM 0 H PHE A 32 11.765 -5.985 8.429 1.00 0.00 H new ATOM 0 HA PHE A 32 12.301 -3.282 9.191 1.00 0.00 H new ATOM 0 HB2 PHE A 32 10.048 -4.812 7.900 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.746 -3.184 8.475 1.00 0.00 H new ATOM 0 HD1 PHE A 32 12.199 -5.087 6.386 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.187 -1.393 7.058 1.00 0.00 H new ATOM 0 HE1 PHE A 32 13.178 -4.180 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.165 -0.483 4.998 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.665 -1.875 3.626 1.00 0.00 H new ATOM 438 N HIS A 33 11.126 -2.897 11.329 1.00 0.00 N ATOM 439 CA HIS A 33 10.529 -2.689 12.643 1.00 0.00 C ATOM 440 C HIS A 33 9.485 -1.578 12.597 1.00 0.00 C ATOM 441 O HIS A 33 9.461 -0.773 11.666 1.00 0.00 O ATOM 442 CB HIS A 33 11.610 -2.347 13.669 1.00 0.00 C ATOM 443 CG HIS A 33 12.208 -3.548 14.332 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.170 -3.774 15.690 1.00 0.00 N ATOM 445 CD2 HIS A 33 12.869 -4.606 13.795 1.00 0.00 C ATOM 446 CE1 HIS A 33 12.796 -4.935 15.931 1.00 0.00 C ATOM 447 NE2 HIS A 33 13.238 -5.480 14.814 1.00 0.00 N ATOM 0 H HIS A 33 11.757 -2.153 11.031 1.00 0.00 H new ATOM 0 HA HIS A 33 10.035 -3.614 12.941 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.402 -1.783 13.176 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.182 -1.696 14.432 1.00 0.00 H new ATOM 0 HD2 HIS A 33 13.076 -4.747 12.744 1.00 0.00 H new ATOM 0 HE1 HIS A 33 12.922 -5.368 16.912 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.745 -6.360 14.717 1.00 0.00 H new ATOM 455 N ILE A 34 8.623 -1.540 13.608 1.00 0.00 N ATOM 456 CA ILE A 34 7.577 -0.528 13.683 1.00 0.00 C ATOM 457 C ILE A 34 8.146 0.820 14.113 1.00 0.00 C ATOM 458 O ILE A 34 8.899 0.906 15.083 1.00 0.00 O ATOM 459 CB ILE A 34 6.464 -0.940 14.666 1.00 0.00 C ATOM 460 CG1 ILE A 34 6.011 -2.372 14.386 1.00 0.00 C ATOM 461 CG2 ILE A 34 5.291 0.023 14.571 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.372 -2.550 13.026 1.00 0.00 C ATOM 0 H ILE A 34 8.629 -2.199 14.387 1.00 0.00 H new ATOM 0 HA ILE A 34 7.153 -0.438 12.683 1.00 0.00 H new ATOM 0 HB ILE A 34 6.861 -0.898 15.680 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.870 -3.038 14.464 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.301 -2.676 15.155 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.513 -0.281 15.271 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.627 1.031 14.817 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.891 0.011 13.557 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.075 -3.591 12.897 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.493 -1.910 12.951 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.087 -2.277 12.250 1.00 0.00 H new ATOM 474 N GLY A 35 7.781 1.869 13.385 1.00 0.00 N ATOM 475 CA GLY A 35 8.265 3.199 13.708 1.00 0.00 C ATOM 476 C GLY A 35 9.555 3.538 12.987 1.00 0.00 C ATOM 477 O GLY A 35 10.450 4.159 13.559 1.00 0.00 O ATOM 0 H GLY A 35 7.159 1.823 12.578 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.503 3.933 13.447 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.423 3.273 14.784 1.00 0.00 H new ATOM 481 N ASP A 36 9.649 3.129 11.726 1.00 0.00 N ATOM 482 CA ASP A 36 10.840 3.393 10.924 1.00 0.00 C ATOM 483 C ASP A 36 10.460 3.938 9.551 1.00 0.00 C ATOM 484 O ASP A 36 9.443 3.550 8.978 1.00 0.00 O ATOM 485 CB ASP A 36 11.669 2.117 10.769 1.00 0.00 C ATOM 486 CG ASP A 36 12.243 1.636 12.087 1.00 0.00 C ATOM 487 OD1 ASP A 36 12.967 2.417 12.739 1.00 0.00 O ATOM 488 OD2 ASP A 36 11.968 0.479 12.467 1.00 0.00 O ATOM 0 H ASP A 36 8.916 2.614 11.237 1.00 0.00 H new ATOM 0 HA ASP A 36 11.437 4.144 11.440 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.046 1.332 10.339 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.482 2.299 10.067 1.00 0.00 H new ATOM 493 N ARG A 37 11.285 4.840 9.030 1.00 0.00 N ATOM 494 CA ARG A 37 11.036 5.438 7.724 1.00 0.00 C ATOM 495 C ARG A 37 11.003 4.372 6.633 1.00 0.00 C ATOM 496 O ARG A 37 11.986 3.665 6.413 1.00 0.00 O ATOM 497 CB ARG A 37 12.111 6.479 7.403 1.00 0.00 C ATOM 498 CG ARG A 37 11.930 7.790 8.150 1.00 0.00 C ATOM 499 CD ARG A 37 12.858 8.869 7.614 1.00 0.00 C ATOM 500 NE ARG A 37 13.165 9.878 8.625 1.00 0.00 N ATOM 501 CZ ARG A 37 14.197 10.714 8.548 1.00 0.00 C ATOM 502 NH1 ARG A 37 15.024 10.667 7.509 1.00 0.00 N ATOM 503 NH2 ARG A 37 14.405 11.602 9.510 1.00 0.00 N ATOM 0 H ARG A 37 12.131 5.173 9.492 1.00 0.00 H new ATOM 0 HA ARG A 37 10.063 5.928 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.090 6.065 7.645 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.105 6.677 6.331 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.895 8.121 8.061 1.00 0.00 H new ATOM 0 HG3 ARG A 37 12.125 7.635 9.211 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.784 8.411 7.266 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.396 9.349 6.751 1.00 0.00 H new ATOM 0 HE ARG A 37 12.552 9.945 9.438 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.869 9.987 6.764 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.813 11.311 7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.774 11.645 10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.196 12.243 9.450 1.00 0.00 H new ATOM 517 N VAL A 38 9.865 4.262 5.955 1.00 0.00 N ATOM 518 CA VAL A 38 9.705 3.283 4.888 1.00 0.00 C ATOM 519 C VAL A 38 9.125 3.925 3.633 1.00 0.00 C ATOM 520 O VAL A 38 8.150 4.674 3.700 1.00 0.00 O ATOM 521 CB VAL A 38 8.790 2.122 5.324 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.448 1.311 6.429 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.436 2.649 5.772 1.00 0.00 C ATOM 0 H VAL A 38 9.041 4.839 6.126 1.00 0.00 H new ATOM 0 HA VAL A 38 10.698 2.892 4.667 1.00 0.00 H new ATOM 0 HB VAL A 38 8.632 1.466 4.468 1.00 0.00 H new ATOM 0 HG11 VAL A 38 8.788 0.496 6.724 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.391 0.901 6.067 1.00 0.00 H new ATOM 0 HG13 VAL A 38 9.638 1.954 7.289 1.00 0.00 H new ATOM 0 HG21 VAL A 38 6.803 1.815 6.076 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.570 3.328 6.614 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.962 3.182 4.948 1.00 0.00 H new ATOM 533 N LEU A 39 9.732 3.628 2.488 1.00 0.00 N ATOM 534 CA LEU A 39 9.277 4.176 1.216 1.00 0.00 C ATOM 535 C LEU A 39 8.462 3.145 0.442 1.00 0.00 C ATOM 536 O LEU A 39 8.970 2.085 0.076 1.00 0.00 O ATOM 537 CB LEU A 39 10.472 4.633 0.378 1.00 0.00 C ATOM 538 CG LEU A 39 10.184 5.787 -0.586 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.586 6.969 0.160 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.455 6.200 -1.314 1.00 0.00 C ATOM 0 H LEU A 39 10.541 3.010 2.416 1.00 0.00 H new ATOM 0 HA LEU A 39 8.639 5.035 1.425 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.275 4.934 1.051 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.840 3.783 -0.197 1.00 0.00 H new ATOM 0 HG LEU A 39 9.459 5.447 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.388 7.779 -0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.654 6.665 0.636 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.287 7.311 0.921 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.233 7.021 -1.996 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.202 6.522 -0.588 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.841 5.353 -1.880 1.00 0.00 H new ATOM 552 N ILE A 40 7.194 3.462 0.197 1.00 0.00 N ATOM 553 CA ILE A 40 6.310 2.561 -0.533 1.00 0.00 C ATOM 554 C ILE A 40 6.559 2.645 -2.034 1.00 0.00 C ATOM 555 O ILE A 40 6.239 3.648 -2.673 1.00 0.00 O ATOM 556 CB ILE A 40 4.829 2.878 -0.249 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.586 2.985 1.258 1.00 0.00 C ATOM 558 CG2 ILE A 40 3.933 1.811 -0.861 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.298 3.696 1.612 1.00 0.00 C ATOM 0 H ILE A 40 6.757 4.335 0.493 1.00 0.00 H new ATOM 0 HA ILE A 40 6.530 1.551 -0.188 1.00 0.00 H new ATOM 0 HB ILE A 40 4.584 3.837 -0.706 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.569 1.983 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.422 3.514 1.716 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.890 2.048 -0.652 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.089 1.779 -1.939 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.177 0.840 -0.430 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.190 3.736 2.696 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.320 4.710 1.212 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.454 3.155 1.183 1.00 0.00 H new ATOM 571 N GLY A 41 7.134 1.584 -2.593 1.00 0.00 N ATOM 572 CA GLY A 41 7.416 1.557 -4.016 1.00 0.00 C ATOM 573 C GLY A 41 8.437 2.600 -4.429 1.00 0.00 C ATOM 574 O GLY A 41 8.507 2.980 -5.597 1.00 0.00 O ATOM 0 H GLY A 41 7.409 0.743 -2.086 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.781 0.568 -4.291 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.491 1.721 -4.569 1.00 0.00 H new ATOM 578 N ASN A 42 9.234 3.062 -3.470 1.00 0.00 N ATOM 579 CA ASN A 42 10.256 4.068 -3.742 1.00 0.00 C ATOM 580 C ASN A 42 9.642 5.317 -4.368 1.00 0.00 C ATOM 581 O ASN A 42 10.107 5.802 -5.400 1.00 0.00 O ATOM 582 CB ASN A 42 11.330 3.492 -4.668 1.00 0.00 C ATOM 583 CG ASN A 42 12.354 2.661 -3.919 1.00 0.00 C ATOM 584 OD1 ASN A 42 13.550 2.954 -3.948 1.00 0.00 O ATOM 585 ND2 ASN A 42 11.888 1.617 -3.244 1.00 0.00 N ATOM 0 H ASN A 42 9.192 2.756 -2.498 1.00 0.00 H new ATOM 0 HA ASN A 42 10.714 4.351 -2.794 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.855 2.876 -5.432 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.836 4.308 -5.185 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.529 1.020 -2.721 1.00 0.00 H new ATOM 0 HD22 ASN A 42 10.889 1.412 -3.248 1.00 0.00 H new ATOM 592 N VAL A 43 8.594 5.834 -3.736 1.00 0.00 N ATOM 593 CA VAL A 43 7.916 7.027 -4.230 1.00 0.00 C ATOM 594 C VAL A 43 6.984 7.610 -3.171 1.00 0.00 C ATOM 595 O VAL A 43 6.929 8.824 -2.980 1.00 0.00 O ATOM 596 CB VAL A 43 7.107 6.722 -5.507 1.00 0.00 C ATOM 597 CG1 VAL A 43 6.015 5.701 -5.222 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.517 8.001 -6.086 1.00 0.00 C ATOM 0 H VAL A 43 8.196 5.446 -2.881 1.00 0.00 H new ATOM 0 HA VAL A 43 8.689 7.758 -4.466 1.00 0.00 H new ATOM 0 HB VAL A 43 7.783 6.295 -6.247 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.457 5.501 -6.136 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.466 4.776 -4.862 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.339 6.094 -4.463 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.950 7.765 -6.986 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.857 8.462 -5.352 1.00 0.00 H new ATOM 0 HG23 VAL A 43 7.322 8.693 -6.335 1.00 0.00 H new ATOM 608 N GLN A 44 6.252 6.736 -2.486 1.00 0.00 N ATOM 609 CA GLN A 44 5.322 7.165 -1.449 1.00 0.00 C ATOM 610 C GLN A 44 5.958 7.052 -0.064 1.00 0.00 C ATOM 611 O GLN A 44 6.035 5.961 0.502 1.00 0.00 O ATOM 612 CB GLN A 44 4.043 6.326 -1.507 1.00 0.00 C ATOM 613 CG GLN A 44 2.940 6.957 -2.340 1.00 0.00 C ATOM 614 CD GLN A 44 1.594 6.933 -1.642 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.420 6.261 -0.626 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.631 7.669 -2.186 1.00 0.00 N ATOM 0 H GLN A 44 6.286 5.727 -2.631 1.00 0.00 H new ATOM 0 HA GLN A 44 5.072 8.211 -1.628 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.280 5.344 -1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.676 6.168 -0.493 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.208 7.989 -2.569 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.861 6.430 -3.291 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.818 8.211 -3.029 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.296 7.692 -1.760 1.00 0.00 H new ATOM 625 N PRO A 45 6.423 8.178 0.505 1.00 0.00 N ATOM 626 CA PRO A 45 7.051 8.191 1.830 1.00 0.00 C ATOM 627 C PRO A 45 6.052 7.916 2.949 1.00 0.00 C ATOM 628 O PRO A 45 4.864 8.210 2.819 1.00 0.00 O ATOM 629 CB PRO A 45 7.608 9.612 1.949 1.00 0.00 C ATOM 630 CG PRO A 45 6.751 10.430 1.048 1.00 0.00 C ATOM 631 CD PRO A 45 6.374 9.526 -0.094 1.00 0.00 C ATOM 0 HA PRO A 45 7.808 7.413 1.927 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.559 9.972 2.977 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.654 9.654 1.646 1.00 0.00 H new ATOM 0 HG2 PRO A 45 5.865 10.789 1.571 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.287 11.309 0.690 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.381 9.758 -0.479 1.00 0.00 H new ATOM 0 HD3 PRO A 45 7.070 9.621 -0.928 1.00 0.00 H new ATOM 639 N GLY A 46 6.542 7.349 4.046 1.00 0.00 N ATOM 640 CA GLY A 46 5.679 7.043 5.172 1.00 0.00 C ATOM 641 C GLY A 46 6.399 6.274 6.262 1.00 0.00 C ATOM 642 O GLY A 46 7.573 5.934 6.119 1.00 0.00 O ATOM 0 H GLY A 46 7.522 7.096 4.176 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.285 7.971 5.586 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.826 6.461 4.824 1.00 0.00 H new ATOM 646 N ILE A 47 5.694 6.001 7.355 1.00 0.00 N ATOM 647 CA ILE A 47 6.273 5.269 8.475 1.00 0.00 C ATOM 648 C ILE A 47 5.590 3.919 8.659 1.00 0.00 C ATOM 649 O ILE A 47 4.363 3.823 8.625 1.00 0.00 O ATOM 650 CB ILE A 47 6.167 6.068 9.789 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.695 7.492 9.593 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.928 5.364 10.902 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.895 8.540 10.334 1.00 0.00 C ATOM 0 H ILE A 47 4.721 6.276 7.489 1.00 0.00 H new ATOM 0 HA ILE A 47 7.326 5.114 8.239 1.00 0.00 H new ATOM 0 HB ILE A 47 5.117 6.127 10.075 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.732 7.535 9.926 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.692 7.729 8.529 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.843 5.941 11.823 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.509 4.370 11.057 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.978 5.276 10.625 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.326 9.524 10.150 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.863 8.524 9.984 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.919 8.328 11.403 1.00 0.00 H new ATOM 665 N LEU A 48 6.391 2.877 8.852 1.00 0.00 N ATOM 666 CA LEU A 48 5.863 1.531 9.042 1.00 0.00 C ATOM 667 C LEU A 48 5.151 1.410 10.385 1.00 0.00 C ATOM 668 O LEU A 48 5.790 1.385 11.437 1.00 0.00 O ATOM 669 CB LEU A 48 6.992 0.501 8.955 1.00 0.00 C ATOM 670 CG LEU A 48 6.546 -0.958 9.055 1.00 0.00 C ATOM 671 CD1 LEU A 48 5.779 -1.368 7.807 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.748 -1.867 9.267 1.00 0.00 C ATOM 0 H LEU A 48 7.409 2.939 8.881 1.00 0.00 H new ATOM 0 HA LEU A 48 5.140 1.336 8.250 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.518 0.640 8.011 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.708 0.701 9.752 1.00 0.00 H new ATOM 0 HG LEU A 48 5.882 -1.059 9.914 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.469 -2.409 7.896 1.00 0.00 H new ATOM 0 HD12 LEU A 48 4.898 -0.736 7.697 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.419 -1.253 6.932 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.414 -2.902 9.336 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.435 -1.763 8.427 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.257 -1.588 10.189 1.00 0.00 H new ATOM 684 N ARG A 49 3.825 1.337 10.342 1.00 0.00 N ATOM 685 CA ARG A 49 3.026 1.219 11.555 1.00 0.00 C ATOM 686 C ARG A 49 2.583 -0.223 11.780 1.00 0.00 C ATOM 687 O ARG A 49 2.425 -0.665 12.918 1.00 0.00 O ATOM 688 CB ARG A 49 1.801 2.134 11.475 1.00 0.00 C ATOM 689 CG ARG A 49 2.147 3.615 11.446 1.00 0.00 C ATOM 690 CD ARG A 49 2.724 4.083 12.772 1.00 0.00 C ATOM 691 NE ARG A 49 1.684 4.321 13.771 1.00 0.00 N ATOM 692 CZ ARG A 49 1.235 3.395 14.616 1.00 0.00 C ATOM 693 NH1 ARG A 49 1.719 2.160 14.584 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.292 3.704 15.496 1.00 0.00 N ATOM 0 H ARG A 49 3.281 1.358 9.479 1.00 0.00 H new ATOM 0 HA ARG A 49 3.646 1.524 12.398 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.230 1.885 10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.155 1.937 12.330 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.866 3.805 10.649 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.253 4.193 11.214 1.00 0.00 H new ATOM 0 HD2 ARG A 49 3.422 3.335 13.147 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.293 5.000 12.616 1.00 0.00 H new ATOM 0 HE ARG A 49 1.277 5.255 13.824 1.00 0.00 H new ATOM 0 HH11 ARG A 49 2.442 1.913 13.908 1.00 0.00 H new ATOM 0 HH12 ARG A 49 1.368 1.458 15.236 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.088 4.650 15.525 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.053 2.996 16.144 1.00 0.00 H new ATOM 708 N PHE A 50 2.386 -0.953 10.687 1.00 0.00 N ATOM 709 CA PHE A 50 1.962 -2.346 10.765 1.00 0.00 C ATOM 710 C PHE A 50 2.682 -3.194 9.720 1.00 0.00 C ATOM 711 O PHE A 50 3.262 -2.665 8.772 1.00 0.00 O ATOM 712 CB PHE A 50 0.448 -2.452 10.569 1.00 0.00 C ATOM 713 CG PHE A 50 -0.094 -3.833 10.802 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.024 -4.416 12.057 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.673 -4.547 9.766 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.521 -5.687 12.275 1.00 0.00 C ATOM 717 CE2 PHE A 50 -1.172 -5.819 9.978 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.096 -6.389 11.233 1.00 0.00 C ATOM 0 H PHE A 50 2.513 -0.603 9.737 1.00 0.00 H new ATOM 0 HA PHE A 50 2.221 -2.723 11.754 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.047 -1.757 11.248 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.199 -2.139 9.555 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.424 -3.871 12.874 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.735 -4.106 8.782 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.460 -6.131 13.258 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.621 -6.366 9.162 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.485 -7.382 11.400 1.00 0.00 H new ATOM 728 N LYS A 51 2.640 -4.510 9.901 1.00 0.00 N ATOM 729 CA LYS A 51 3.289 -5.430 8.973 1.00 0.00 C ATOM 730 C LYS A 51 3.009 -6.879 9.359 1.00 0.00 C ATOM 731 O LYS A 51 3.589 -7.401 10.311 1.00 0.00 O ATOM 732 CB LYS A 51 4.797 -5.181 8.946 1.00 0.00 C ATOM 733 CG LYS A 51 5.415 -5.028 10.328 1.00 0.00 C ATOM 734 CD LYS A 51 6.343 -6.187 10.658 1.00 0.00 C ATOM 735 CE LYS A 51 6.862 -6.096 12.084 1.00 0.00 C ATOM 736 NZ LYS A 51 5.773 -6.273 13.084 1.00 0.00 N ATOM 0 H LYS A 51 2.164 -4.963 10.681 1.00 0.00 H new ATOM 0 HA LYS A 51 2.880 -5.251 7.978 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.284 -6.008 8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.998 -4.280 8.366 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.970 -4.091 10.377 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.625 -4.970 11.076 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.812 -7.129 10.522 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.183 -6.191 9.963 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.626 -6.857 12.241 1.00 0.00 H new ATOM 0 HE3 LYS A 51 7.340 -5.128 12.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.727 -5.436 13.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.865 -6.391 12.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.965 -7.116 13.661 1.00 0.00 H new ATOM 750 N GLY A 52 2.115 -7.522 8.616 1.00 0.00 N ATOM 751 CA GLY A 52 1.774 -8.905 8.895 1.00 0.00 C ATOM 752 C GLY A 52 0.522 -9.352 8.167 1.00 0.00 C ATOM 753 O GLY A 52 -0.051 -8.597 7.382 1.00 0.00 O ATOM 0 H GLY A 52 1.620 -7.110 7.825 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.607 -9.546 8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.631 -9.031 9.968 1.00 0.00 H new ATOM 757 N GLU A 53 0.097 -10.584 8.428 1.00 0.00 N ATOM 758 CA GLU A 53 -1.096 -11.132 7.792 1.00 0.00 C ATOM 759 C GLU A 53 -2.358 -10.487 8.358 1.00 0.00 C ATOM 760 O GLU A 53 -2.592 -10.515 9.566 1.00 0.00 O ATOM 761 CB GLU A 53 -1.153 -12.648 7.984 1.00 0.00 C ATOM 762 CG GLU A 53 -0.307 -13.421 6.986 1.00 0.00 C ATOM 763 CD GLU A 53 -0.542 -14.916 7.056 1.00 0.00 C ATOM 764 OE1 GLU A 53 -0.823 -15.422 8.164 1.00 0.00 O ATOM 765 OE2 GLU A 53 -0.446 -15.583 6.004 1.00 0.00 O ATOM 0 H GLU A 53 0.561 -11.222 9.075 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.043 -10.911 6.726 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.821 -12.890 8.993 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.189 -12.977 7.901 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.529 -13.069 5.978 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.747 -13.214 7.172 1.00 0.00 H new ATOM 772 N THR A 54 -3.167 -9.909 7.478 1.00 0.00 N ATOM 773 CA THR A 54 -4.405 -9.258 7.891 1.00 0.00 C ATOM 774 C THR A 54 -5.544 -10.267 7.990 1.00 0.00 C ATOM 775 O THR A 54 -5.349 -11.463 7.774 1.00 0.00 O ATOM 776 CB THR A 54 -4.775 -8.148 6.904 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.433 -8.517 5.581 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.095 -6.830 7.205 1.00 0.00 C ATOM 0 H THR A 54 -2.988 -9.878 6.474 1.00 0.00 H new ATOM 0 HA THR A 54 -4.245 -8.821 8.877 1.00 0.00 H new ATOM 0 HB THR A 54 -5.852 -8.015 7.009 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.639 -8.018 5.297 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.400 -6.087 6.469 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.381 -6.492 8.201 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.014 -6.960 7.162 1.00 0.00 H new ATOM 786 N SER A 55 -6.735 -9.776 8.318 1.00 0.00 N ATOM 787 CA SER A 55 -7.906 -10.634 8.447 1.00 0.00 C ATOM 788 C SER A 55 -8.751 -10.598 7.177 1.00 0.00 C ATOM 789 O SER A 55 -9.398 -11.582 6.821 1.00 0.00 O ATOM 790 CB SER A 55 -8.751 -10.202 9.647 1.00 0.00 C ATOM 791 OG SER A 55 -8.537 -8.836 9.956 1.00 0.00 O ATOM 0 H SER A 55 -6.914 -8.788 8.499 1.00 0.00 H new ATOM 0 HA SER A 55 -7.560 -11.656 8.603 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.806 -10.368 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 55 -8.502 -10.817 10.512 1.00 0.00 H new ATOM 0 HG SER A 55 -9.014 -8.609 10.781 1.00 0.00 H new ATOM 797 N PHE A 56 -8.739 -9.456 6.497 1.00 0.00 N ATOM 798 CA PHE A 56 -9.503 -9.292 5.266 1.00 0.00 C ATOM 799 C PHE A 56 -8.755 -9.884 4.076 1.00 0.00 C ATOM 800 O PHE A 56 -9.341 -10.574 3.243 1.00 0.00 O ATOM 801 CB PHE A 56 -9.793 -7.811 5.014 1.00 0.00 C ATOM 802 CG PHE A 56 -8.558 -6.955 4.974 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.850 -6.794 3.794 1.00 0.00 C ATOM 804 CD2 PHE A 56 -8.108 -6.314 6.117 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.714 -6.008 3.754 1.00 0.00 C ATOM 806 CE2 PHE A 56 -6.972 -5.526 6.082 1.00 0.00 C ATOM 807 CZ PHE A 56 -6.275 -5.373 4.899 1.00 0.00 C ATOM 0 H PHE A 56 -8.209 -8.631 6.778 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.446 -9.826 5.381 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.326 -7.709 4.069 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.456 -7.441 5.796 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.190 -7.288 2.896 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.650 -6.431 7.044 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.170 -5.891 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.630 -5.031 6.979 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.388 -4.758 4.870 1.00 0.00 H new ATOM 817 N ALA A 57 -7.456 -9.611 4.004 1.00 0.00 N ATOM 818 CA ALA A 57 -6.627 -10.119 2.917 1.00 0.00 C ATOM 819 C ALA A 57 -5.514 -11.015 3.447 1.00 0.00 C ATOM 820 O ALA A 57 -5.032 -10.829 4.565 1.00 0.00 O ATOM 821 CB ALA A 57 -6.042 -8.964 2.119 1.00 0.00 C ATOM 0 H ALA A 57 -6.955 -9.041 4.685 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.258 -10.719 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.425 -9.356 1.310 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.850 -8.364 1.701 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.431 -8.343 2.773 1.00 0.00 H new ATOM 827 N LYS A 58 -5.111 -11.990 2.639 1.00 0.00 N ATOM 828 CA LYS A 58 -4.054 -12.917 3.026 1.00 0.00 C ATOM 829 C LYS A 58 -2.684 -12.376 2.631 1.00 0.00 C ATOM 830 O LYS A 58 -2.564 -11.582 1.698 1.00 0.00 O ATOM 831 CB LYS A 58 -4.283 -14.283 2.376 1.00 0.00 C ATOM 832 CG LYS A 58 -3.831 -15.451 3.239 1.00 0.00 C ATOM 833 CD LYS A 58 -2.369 -15.793 2.993 1.00 0.00 C ATOM 834 CE LYS A 58 -2.225 -17.058 2.162 1.00 0.00 C ATOM 835 NZ LYS A 58 -0.814 -17.291 1.746 1.00 0.00 N ATOM 0 H LYS A 58 -5.501 -12.159 1.712 1.00 0.00 H new ATOM 0 HA LYS A 58 -4.081 -13.029 4.110 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.344 -14.396 2.152 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.751 -14.317 1.425 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -3.976 -15.205 4.291 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.450 -16.323 3.027 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.881 -14.963 2.482 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.859 -15.923 3.948 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.580 -17.913 2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.857 -16.985 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.758 -18.163 1.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.483 -16.487 1.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.214 -17.386 2.590 1.00 0.00 H new ATOM 849 N GLY A 59 -1.652 -12.813 3.345 1.00 0.00 N ATOM 850 CA GLY A 59 -0.304 -12.362 3.054 1.00 0.00 C ATOM 851 C GLY A 59 0.104 -11.169 3.896 1.00 0.00 C ATOM 852 O GLY A 59 -0.734 -10.542 4.543 1.00 0.00 O ATOM 0 H GLY A 59 -1.725 -13.472 4.120 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.395 -13.181 3.227 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.232 -12.099 1.999 1.00 0.00 H new ATOM 856 N PHE A 60 1.395 -10.856 3.890 1.00 0.00 N ATOM 857 CA PHE A 60 1.914 -9.732 4.660 1.00 0.00 C ATOM 858 C PHE A 60 1.358 -8.411 4.134 1.00 0.00 C ATOM 859 O PHE A 60 1.344 -8.169 2.927 1.00 0.00 O ATOM 860 CB PHE A 60 3.442 -9.714 4.611 1.00 0.00 C ATOM 861 CG PHE A 60 4.089 -10.290 5.838 1.00 0.00 C ATOM 862 CD1 PHE A 60 4.009 -11.647 6.106 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.776 -9.475 6.723 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.602 -12.181 7.234 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.370 -10.003 7.853 1.00 0.00 C ATOM 866 CZ PHE A 60 5.284 -11.358 8.109 1.00 0.00 C ATOM 0 H PHE A 60 2.102 -11.366 3.360 1.00 0.00 H new ATOM 0 HA PHE A 60 1.595 -9.853 5.695 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.776 -10.274 3.737 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.781 -8.686 4.480 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.477 -12.295 5.425 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.848 -8.415 6.527 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.532 -13.241 7.431 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.901 -9.357 8.536 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.749 -11.773 8.991 1.00 0.00 H new ATOM 876 N TRP A 61 0.902 -7.562 5.049 1.00 0.00 N ATOM 877 CA TRP A 61 0.347 -6.265 4.680 1.00 0.00 C ATOM 878 C TRP A 61 0.856 -5.172 5.614 1.00 0.00 C ATOM 879 O TRP A 61 0.400 -5.051 6.750 1.00 0.00 O ATOM 880 CB TRP A 61 -1.182 -6.312 4.716 1.00 0.00 C ATOM 881 CG TRP A 61 -1.777 -7.137 3.617 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.290 -8.398 3.723 1.00 0.00 C ATOM 883 CD2 TRP A 61 -1.919 -6.760 2.242 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.745 -8.827 2.499 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.527 -7.840 1.574 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.592 -5.615 1.511 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -2.815 -7.806 0.212 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -1.878 -5.583 0.159 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.485 -6.672 -0.478 1.00 0.00 C ATOM 0 H TRP A 61 0.906 -7.749 6.052 1.00 0.00 H new ATOM 0 HA TRP A 61 0.672 -6.033 3.666 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.503 -6.714 5.677 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.571 -5.296 4.649 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.332 -8.974 4.635 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.175 -9.733 2.310 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.124 -4.770 1.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.282 -8.645 -0.282 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -1.629 -4.703 -0.416 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -2.697 -6.616 -1.535 1.00 0.00 H new ATOM 900 N ALA A 62 1.806 -4.380 5.127 1.00 0.00 N ATOM 901 CA ALA A 62 2.378 -3.298 5.920 1.00 0.00 C ATOM 902 C ALA A 62 1.554 -2.023 5.787 1.00 0.00 C ATOM 903 O ALA A 62 1.345 -1.518 4.684 1.00 0.00 O ATOM 904 CB ALA A 62 3.819 -3.045 5.502 1.00 0.00 C ATOM 0 H ALA A 62 2.195 -4.467 4.188 1.00 0.00 H new ATOM 0 HA ALA A 62 2.362 -3.600 6.967 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.235 -2.235 6.101 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.407 -3.950 5.657 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.849 -2.769 4.448 1.00 0.00 H new ATOM 910 N GLY A 63 1.090 -1.504 6.919 1.00 0.00 N ATOM 911 CA GLY A 63 0.297 -0.289 6.908 1.00 0.00 C ATOM 912 C GLY A 63 1.126 0.945 7.199 1.00 0.00 C ATOM 913 O GLY A 63 1.210 1.391 8.344 1.00 0.00 O ATOM 0 H GLY A 63 1.249 -1.903 7.844 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.182 -0.180 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.499 -0.371 7.648 1.00 0.00 H new ATOM 917 N VAL A 64 1.743 1.498 6.160 1.00 0.00 N ATOM 918 CA VAL A 64 2.574 2.687 6.307 1.00 0.00 C ATOM 919 C VAL A 64 1.720 3.942 6.441 1.00 0.00 C ATOM 920 O VAL A 64 0.639 4.037 5.858 1.00 0.00 O ATOM 921 CB VAL A 64 3.530 2.856 5.112 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.519 3.981 5.374 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.258 1.552 4.821 1.00 0.00 C ATOM 0 H VAL A 64 1.683 1.141 5.206 1.00 0.00 H new ATOM 0 HA VAL A 64 3.161 2.551 7.216 1.00 0.00 H new ATOM 0 HB VAL A 64 2.941 3.119 4.234 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.186 4.085 4.518 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.977 4.914 5.527 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.104 3.751 6.265 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.929 1.691 3.973 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.836 1.255 5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.531 0.775 4.585 1.00 0.00 H new ATOM 933 N GLU A 65 2.213 4.906 7.212 1.00 0.00 N ATOM 934 CA GLU A 65 1.498 6.159 7.422 1.00 0.00 C ATOM 935 C GLU A 65 2.150 7.293 6.638 1.00 0.00 C ATOM 936 O GLU A 65 3.180 7.830 7.045 1.00 0.00 O ATOM 937 CB GLU A 65 1.463 6.507 8.912 1.00 0.00 C ATOM 938 CG GLU A 65 0.420 7.553 9.267 1.00 0.00 C ATOM 939 CD GLU A 65 0.255 7.727 10.764 1.00 0.00 C ATOM 940 OE1 GLU A 65 0.405 6.728 11.498 1.00 0.00 O ATOM 941 OE2 GLU A 65 -0.023 8.863 11.203 1.00 0.00 O ATOM 0 H GLU A 65 3.105 4.843 7.702 1.00 0.00 H new ATOM 0 HA GLU A 65 0.477 6.032 7.062 1.00 0.00 H new ATOM 0 HB2 GLU A 65 1.266 5.600 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.446 6.868 9.216 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.702 8.508 8.823 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.537 7.269 8.830 1.00 0.00 H new ATOM 948 N LEU A 66 1.545 7.650 5.510 1.00 0.00 N ATOM 949 CA LEU A 66 2.069 8.718 4.667 1.00 0.00 C ATOM 950 C LEU A 66 2.126 10.037 5.432 1.00 0.00 C ATOM 951 O LEU A 66 1.309 10.290 6.316 1.00 0.00 O ATOM 952 CB LEU A 66 1.204 8.877 3.415 1.00 0.00 C ATOM 953 CG LEU A 66 1.063 7.615 2.563 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.183 7.885 1.352 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.430 7.110 2.130 1.00 0.00 C ATOM 0 H LEU A 66 0.692 7.215 5.159 1.00 0.00 H new ATOM 0 HA LEU A 66 3.082 8.449 4.369 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.210 9.206 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.627 9.669 2.797 1.00 0.00 H new ATOM 0 HG LEU A 66 0.587 6.842 3.167 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.094 6.976 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.806 8.200 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.630 8.673 0.746 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.311 6.211 1.525 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.933 7.879 1.543 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.028 6.877 3.011 1.00 0.00 H new ATOM 967 N ASP A 67 3.100 10.873 5.085 1.00 0.00 N ATOM 968 CA ASP A 67 3.267 12.165 5.739 1.00 0.00 C ATOM 969 C ASP A 67 2.137 13.117 5.366 1.00 0.00 C ATOM 970 O ASP A 67 1.720 13.948 6.173 1.00 0.00 O ATOM 971 CB ASP A 67 4.615 12.782 5.359 1.00 0.00 C ATOM 972 CG ASP A 67 5.256 13.527 6.513 1.00 0.00 C ATOM 973 OD1 ASP A 67 5.706 12.864 7.471 1.00 0.00 O ATOM 974 OD2 ASP A 67 5.310 14.774 6.458 1.00 0.00 O ATOM 0 H ASP A 67 3.785 10.678 4.355 1.00 0.00 H new ATOM 0 HA ASP A 67 3.239 12.003 6.817 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.289 11.995 5.019 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.475 13.466 4.522 1.00 0.00 H new ATOM 979 N LYS A 68 1.643 12.993 4.138 1.00 0.00 N ATOM 980 CA LYS A 68 0.561 13.845 3.660 1.00 0.00 C ATOM 981 C LYS A 68 -0.678 13.017 3.327 1.00 0.00 C ATOM 982 O LYS A 68 -0.583 11.812 3.087 1.00 0.00 O ATOM 983 CB LYS A 68 1.009 14.632 2.427 1.00 0.00 C ATOM 984 CG LYS A 68 2.237 15.494 2.669 1.00 0.00 C ATOM 985 CD LYS A 68 2.715 16.156 1.388 1.00 0.00 C ATOM 986 CE LYS A 68 1.911 17.408 1.074 1.00 0.00 C ATOM 987 NZ LYS A 68 2.606 18.643 1.533 1.00 0.00 N ATOM 0 H LYS A 68 1.975 12.311 3.456 1.00 0.00 H new ATOM 0 HA LYS A 68 0.305 14.545 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.219 13.934 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.189 15.268 2.094 1.00 0.00 H new ATOM 0 HG2 LYS A 68 2.005 16.259 3.410 1.00 0.00 H new ATOM 0 HG3 LYS A 68 3.037 14.881 3.083 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.770 16.414 1.482 1.00 0.00 H new ATOM 0 HD3 LYS A 68 2.632 15.452 0.560 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.736 17.468 -0.000 1.00 0.00 H new ATOM 0 HE3 LYS A 68 0.934 17.342 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 2.026 19.474 1.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.750 18.598 2.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 3.528 18.720 1.057 1.00 0.00 H new ATOM 1001 N PRO A 69 -1.863 13.653 3.310 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.127 12.970 3.006 1.00 0.00 C ATOM 1003 C PRO A 69 -3.158 12.408 1.587 1.00 0.00 C ATOM 1004 O PRO A 69 -3.843 12.939 0.713 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.189 14.069 3.171 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.521 15.144 3.959 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.068 15.083 3.589 1.00 0.00 C ATOM 0 HA PRO A 69 -3.285 12.110 3.657 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.524 14.441 2.203 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.070 13.690 3.689 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -3.943 16.121 3.723 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -3.659 14.987 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -1.846 15.701 2.719 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.429 15.433 4.400 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.413 11.331 1.366 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.354 10.697 0.053 1.00 0.00 C ATOM 1017 C GLU A 70 -2.915 9.278 0.103 1.00 0.00 C ATOM 1018 O GLU A 70 -3.444 8.776 -0.888 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.913 10.670 -0.458 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.382 12.039 -0.853 1.00 0.00 C ATOM 1021 CD GLU A 70 -1.226 12.707 -1.920 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -2.318 13.212 -1.584 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -0.796 12.725 -3.093 1.00 0.00 O ATOM 0 H GLU A 70 -1.841 10.878 2.079 1.00 0.00 H new ATOM 0 HA GLU A 70 -2.966 11.284 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.270 10.249 0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.854 10.004 -1.319 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.345 12.678 0.029 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.641 11.937 -1.215 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.796 8.636 1.262 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.294 7.283 1.415 1.00 0.00 C ATOM 1032 C GLY A 71 -4.784 7.178 1.149 1.00 0.00 C ATOM 1033 O GLY A 71 -5.371 8.051 0.511 1.00 0.00 O ATOM 0 H GLY A 71 -2.363 9.030 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.759 6.623 0.732 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.083 6.934 2.426 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.394 6.103 1.637 1.00 0.00 N ATOM 1038 CA ASN A 72 -6.824 5.884 1.449 1.00 0.00 C ATOM 1039 C ASN A 72 -7.411 5.092 2.613 1.00 0.00 C ATOM 1040 O ASN A 72 -8.310 4.272 2.429 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.083 5.145 0.133 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.106 4.008 -0.098 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.259 4.072 -0.989 1.00 0.00 O ATOM 1044 ND2 ASN A 72 -6.219 2.958 0.707 1.00 0.00 N ATOM 0 H ASN A 72 -4.921 5.370 2.165 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.312 6.858 1.412 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.099 4.751 0.135 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.016 5.851 -0.695 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -5.589 2.163 0.600 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.936 2.947 1.433 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.898 5.346 3.813 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.372 4.657 5.008 1.00 0.00 C ATOM 1053 C ASN A 73 -6.985 5.426 6.267 1.00 0.00 C ATOM 1054 O ASN A 73 -6.244 6.407 6.205 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.800 3.239 5.066 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.606 2.257 4.239 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -6.943 1.588 3.302 1.00 0.00 O flip ATOM 1058 ND2 ASN A 73 -8.810 2.100 4.440 1.00 0.00 N flip ATOM 0 H ASN A 73 -6.155 6.023 3.983 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.459 4.600 4.958 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.770 3.251 4.709 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.775 2.902 6.102 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -9.279 2.635 5.171 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -9.339 1.435 3.876 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.493 4.975 7.409 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.201 5.621 8.683 1.00 0.00 C ATOM 1067 C ASN A 74 -6.733 4.602 9.717 1.00 0.00 C ATOM 1068 O ASN A 74 -6.968 4.765 10.914 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.438 6.357 9.201 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.649 5.451 9.302 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -10.468 5.384 8.385 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -9.769 4.745 10.421 1.00 0.00 N ATOM 0 H ASN A 74 -8.109 4.165 7.478 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.399 6.341 8.520 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.221 6.780 10.182 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.666 7.191 8.537 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -10.563 4.117 10.545 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -9.067 4.831 11.156 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.068 3.552 9.246 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.578 2.522 10.142 1.00 0.00 C ATOM 1081 C GLY A 75 -6.522 1.341 10.242 1.00 0.00 C ATOM 1082 O GLY A 75 -6.089 0.207 10.447 1.00 0.00 O ATOM 0 H GLY A 75 -5.860 3.396 8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.604 2.176 9.795 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.429 2.949 11.134 1.00 0.00 H new ATOM 1086 N THR A 76 -7.816 1.607 10.099 1.00 0.00 N ATOM 1087 CA THR A 76 -8.825 0.556 10.175 1.00 0.00 C ATOM 1088 C THR A 76 -9.239 0.098 8.780 1.00 0.00 C ATOM 1089 O THR A 76 -9.845 0.854 8.022 1.00 0.00 O ATOM 1090 CB THR A 76 -10.050 1.051 10.946 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.663 1.647 12.172 1.00 0.00 O ATOM 1092 CG2 THR A 76 -11.041 -0.047 11.263 1.00 0.00 C ATOM 0 H THR A 76 -8.191 2.540 9.930 1.00 0.00 H new ATOM 0 HA THR A 76 -8.391 -0.293 10.703 1.00 0.00 H new ATOM 0 HB THR A 76 -10.532 1.775 10.289 1.00 0.00 H new ATOM 0 HG1 THR A 76 -10.460 1.959 12.650 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.885 0.372 11.810 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.396 -0.495 10.335 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.556 -0.810 11.872 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.908 -1.146 8.451 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.245 -1.706 7.147 1.00 0.00 C ATOM 1102 C TYR A 77 -10.476 -2.601 7.241 1.00 0.00 C ATOM 1103 O TYR A 77 -10.415 -3.701 7.789 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.064 -2.500 6.588 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.102 -2.667 5.085 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -8.854 -3.677 4.498 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.386 -1.814 4.255 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -8.892 -3.832 3.126 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.419 -1.964 2.880 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.173 -2.973 2.322 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.208 -3.125 0.955 1.00 0.00 O ATOM 0 H TYR A 77 -8.407 -1.785 9.068 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.469 -0.880 6.472 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.137 -1.999 6.866 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.046 -3.485 7.054 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.418 -4.352 5.125 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -6.795 -1.022 4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -9.482 -4.622 2.685 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -6.856 -1.293 2.247 1.00 0.00 H new ATOM 0 HH TYR A 77 -7.649 -2.439 0.535 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.593 -2.123 6.702 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.839 -2.880 6.724 1.00 0.00 C ATOM 1123 C ASP A 78 -13.293 -3.140 8.158 1.00 0.00 C ATOM 1124 O ASP A 78 -13.929 -4.154 8.443 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.667 -4.207 5.980 1.00 0.00 C ATOM 1126 CG ASP A 78 -13.792 -4.469 4.998 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -14.826 -5.031 5.416 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -13.638 -4.113 3.811 1.00 0.00 O ATOM 0 H ASP A 78 -11.661 -1.214 6.244 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.605 -2.288 6.223 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -11.717 -4.201 5.446 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.622 -5.022 6.702 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.963 -2.216 9.054 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.345 -2.364 10.446 1.00 0.00 C ATOM 1135 C GLY A 79 -12.206 -2.862 11.314 1.00 0.00 C ATOM 1136 O GLY A 79 -12.164 -2.586 12.513 1.00 0.00 O ATOM 0 H GLY A 79 -12.438 -1.368 8.841 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.694 -1.404 10.827 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -14.182 -3.059 10.517 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.281 -3.599 10.707 1.00 0.00 N ATOM 1141 CA ILE A 80 -10.136 -4.137 11.433 1.00 0.00 C ATOM 1142 C ILE A 80 -9.084 -3.060 11.677 1.00 0.00 C ATOM 1143 O ILE A 80 -8.443 -2.582 10.742 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.488 -5.309 10.672 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.555 -6.314 10.235 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -8.437 -5.987 11.538 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -11.339 -6.903 11.387 1.00 0.00 C ATOM 0 H ILE A 80 -11.302 -3.837 9.715 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.511 -4.499 12.391 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.998 -4.917 9.781 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -11.246 -5.823 9.549 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -10.077 -7.122 9.681 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.988 -6.813 10.986 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.664 -5.266 11.804 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.904 -6.369 12.446 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -12.077 -7.607 11.003 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.659 -7.423 12.062 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.846 -6.104 11.928 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.912 -2.684 12.940 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.936 -1.664 13.307 1.00 0.00 C ATOM 1161 C ALA A 81 -6.538 -2.259 13.424 1.00 0.00 C ATOM 1162 O ALA A 81 -6.374 -3.409 13.832 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.339 -0.996 14.613 1.00 0.00 C ATOM 0 H ALA A 81 -9.435 -3.070 13.726 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.917 -0.913 12.518 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.602 -0.237 14.876 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.316 -0.528 14.496 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.387 -1.744 15.404 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.531 -1.471 13.062 1.00 0.00 N ATOM 1170 CA TYR A 82 -4.146 -1.920 13.126 1.00 0.00 C ATOM 1171 C TYR A 82 -3.250 -0.840 13.726 1.00 0.00 C ATOM 1172 O TYR A 82 -2.490 -1.099 14.660 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.644 -2.299 11.732 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.332 -3.514 11.151 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.849 -4.793 11.398 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.464 -3.381 10.356 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.475 -5.906 10.868 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -6.097 -4.489 9.824 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.598 -5.749 10.083 1.00 0.00 C ATOM 1180 OH TYR A 82 -6.224 -6.854 9.555 1.00 0.00 O ATOM 0 H TYR A 82 -5.649 -0.517 12.721 1.00 0.00 H new ATOM 0 HA TYR A 82 -4.106 -2.799 13.770 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.790 -1.453 11.060 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.571 -2.487 11.780 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.971 -4.920 12.014 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.856 -2.396 10.150 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.086 -6.894 11.068 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.977 -4.369 9.209 1.00 0.00 H new ATOM 0 HH TYR A 82 -7.000 -6.570 9.028 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.345 0.369 13.185 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.544 1.488 13.668 1.00 0.00 C ATOM 1192 C PHE A 83 -3.364 2.774 13.695 1.00 0.00 C ATOM 1193 O PHE A 83 -4.477 2.823 13.170 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.308 1.675 12.787 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.612 1.666 11.316 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -1.949 0.486 10.672 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.562 2.837 10.577 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.229 0.474 9.319 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.841 2.832 9.224 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.175 1.648 8.594 1.00 0.00 C ATOM 0 H PHE A 83 -3.969 0.600 12.412 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.225 1.261 14.685 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.828 2.619 13.045 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.592 0.883 13.007 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -1.993 -0.435 11.234 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.302 3.765 11.065 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.490 -0.452 8.829 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.798 3.752 8.659 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.393 1.641 7.536 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.808 3.812 14.309 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.488 5.098 14.404 1.00 0.00 C ATOM 1212 C GLU A 84 -2.914 6.093 13.401 1.00 0.00 C ATOM 1213 O GLU A 84 -1.703 6.154 13.194 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.366 5.659 15.822 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.097 6.977 16.021 1.00 0.00 C ATOM 1216 CD GLU A 84 -3.461 7.840 17.094 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -2.340 8.341 16.866 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -4.086 8.015 18.161 1.00 0.00 O ATOM 0 H GLU A 84 -1.888 3.788 14.749 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.541 4.942 14.171 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.757 4.926 16.528 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.311 5.799 16.059 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.111 7.526 15.079 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.134 6.776 16.289 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.794 6.872 12.779 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.376 7.866 11.797 1.00 0.00 C ATOM 1227 C CYS A 85 -4.550 8.747 11.381 1.00 0.00 C ATOM 1228 O CYS A 85 -5.646 8.638 11.930 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.778 7.180 10.568 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.946 6.138 9.663 1.00 0.00 S ATOM 0 H CYS A 85 -4.801 6.834 12.938 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.616 8.497 12.257 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.389 7.942 9.893 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.931 6.570 10.882 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.402 4.981 9.426 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.313 9.619 10.407 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.351 10.518 9.916 1.00 0.00 C ATOM 1238 C LYS A 86 -6.444 9.740 9.189 1.00 0.00 C ATOM 1239 O LYS A 86 -6.453 8.510 9.196 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.745 11.569 8.983 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.579 12.934 9.631 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.134 13.196 10.022 1.00 0.00 C ATOM 1243 CE LYS A 86 -2.760 14.658 9.828 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.291 14.839 9.670 1.00 0.00 N ATOM 0 H LYS A 86 -3.411 9.722 9.942 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.799 11.021 10.773 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.772 11.219 8.638 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.379 11.669 8.102 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.916 13.708 8.941 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.213 12.997 10.515 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -2.981 12.916 11.064 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.474 12.568 9.423 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.271 15.050 8.948 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.107 15.238 10.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.106 15.676 9.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.855 14.970 10.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.885 13.998 9.213 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.363 10.467 8.562 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.460 9.846 7.831 1.00 0.00 C ATOM 1260 C GLU A 87 -7.944 9.092 6.609 1.00 0.00 C ATOM 1261 O GLU A 87 -8.250 7.915 6.420 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.478 10.904 7.399 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.922 10.454 7.546 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.596 11.046 8.769 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -11.223 12.170 9.167 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.496 10.386 9.328 1.00 0.00 O ATOM 0 H GLU A 87 -7.369 11.487 8.546 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.947 9.133 8.496 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.325 11.806 7.991 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -9.293 11.170 6.358 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.480 10.739 6.654 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.955 9.366 7.608 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.161 9.777 5.783 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.601 9.170 4.581 1.00 0.00 C ATOM 1275 C LYS A 88 -5.087 9.352 4.531 1.00 0.00 C ATOM 1276 O LYS A 88 -4.554 9.966 3.608 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.244 9.781 3.333 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.573 9.144 2.960 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.375 10.035 2.025 1.00 0.00 C ATOM 1280 CE LYS A 88 -8.822 9.996 0.609 1.00 0.00 C ATOM 1281 NZ LYS A 88 -9.547 9.013 -0.244 1.00 0.00 N ATOM 0 H LYS A 88 -6.900 10.753 5.924 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.816 8.102 4.608 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.395 10.848 3.498 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.555 9.682 2.494 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -8.395 8.181 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.151 8.950 3.864 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -10.417 9.714 2.019 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -9.359 11.060 2.395 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -8.896 10.988 0.163 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -7.763 9.739 0.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -9.140 9.017 -1.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -9.455 8.062 0.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -10.553 9.273 -0.295 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.400 8.811 5.532 1.00 0.00 N ATOM 1296 CA HIS A 89 -2.945 8.910 5.603 1.00 0.00 C ATOM 1297 C HIS A 89 -2.305 7.528 5.545 1.00 0.00 C ATOM 1298 O HIS A 89 -1.301 7.326 4.860 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.524 9.630 6.886 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.259 11.091 6.692 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.072 11.706 7.024 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.057 12.066 6.188 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.184 13.006 6.719 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.370 13.276 6.208 1.00 0.00 N ATOM 0 H HIS A 89 -4.826 8.300 6.305 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.601 9.486 4.744 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.306 9.507 7.635 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.626 9.155 7.282 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.253 11.253 7.430 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.066 11.925 5.828 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.405 13.738 6.872 1.00 0.00 H new ATOM 1312 N GLY A 90 -2.890 6.579 6.267 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.362 5.227 6.284 1.00 0.00 C ATOM 1314 C GLY A 90 -2.791 4.424 5.072 1.00 0.00 C ATOM 1315 O GLY A 90 -3.938 4.512 4.635 1.00 0.00 O ATOM 0 H GLY A 90 -3.721 6.722 6.841 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.273 5.265 6.324 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.697 4.720 7.189 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.868 3.638 4.527 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.159 2.817 3.358 1.00 0.00 C ATOM 1321 C ILE A 91 -1.470 1.459 3.455 1.00 0.00 C ATOM 1322 O ILE A 91 -0.251 1.380 3.603 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.718 3.518 2.056 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -2.125 2.688 0.836 1.00 0.00 C ATOM 1325 CG2 ILE A 91 -0.215 3.759 2.062 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -2.290 3.508 -0.424 1.00 0.00 C ATOM 0 H ILE A 91 -0.913 3.553 4.876 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.239 2.670 3.333 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.220 4.484 1.998 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.373 1.918 0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.062 2.175 1.052 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.078 4.254 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.049 4.391 2.910 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.306 2.805 2.144 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.579 2.855 -1.248 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -3.063 4.261 -0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.347 4.000 -0.664 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.260 0.394 3.371 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.727 -0.961 3.449 1.00 0.00 C ATOM 1340 C PHE A 92 -1.084 -1.370 2.128 1.00 0.00 C ATOM 1341 O PHE A 92 -1.712 -1.294 1.071 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.836 -1.948 3.816 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.442 -1.696 5.168 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.378 -0.690 5.346 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.074 -2.467 6.260 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -4.936 -0.456 6.588 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.629 -2.237 7.505 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.561 -1.232 7.669 1.00 0.00 C ATOM 0 H PHE A 92 -3.271 0.443 3.249 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.962 -0.979 4.226 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.620 -1.898 3.061 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.433 -2.960 3.791 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.675 -0.082 4.504 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.346 -3.255 6.137 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -5.664 0.332 6.714 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.334 -2.843 8.349 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.997 -1.052 8.641 1.00 0.00 H new ATOM 1358 N ALA A 93 0.170 -1.803 2.194 1.00 0.00 N ATOM 1359 CA ALA A 93 0.896 -2.225 1.002 1.00 0.00 C ATOM 1360 C ALA A 93 1.713 -3.486 1.274 1.00 0.00 C ATOM 1361 O ALA A 93 2.255 -3.659 2.366 1.00 0.00 O ATOM 1362 CB ALA A 93 1.801 -1.103 0.512 1.00 0.00 C ATOM 0 H ALA A 93 0.705 -1.871 3.060 1.00 0.00 H new ATOM 0 HA ALA A 93 0.168 -2.456 0.225 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.337 -1.431 -0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.198 -0.228 0.270 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.517 -0.846 1.293 1.00 0.00 H new ATOM 1368 N PRO A 94 1.813 -4.388 0.282 1.00 0.00 N ATOM 1369 CA PRO A 94 2.571 -5.635 0.425 1.00 0.00 C ATOM 1370 C PRO A 94 4.005 -5.392 0.884 1.00 0.00 C ATOM 1371 O PRO A 94 4.515 -4.274 0.791 1.00 0.00 O ATOM 1372 CB PRO A 94 2.557 -6.228 -0.987 1.00 0.00 C ATOM 1373 CG PRO A 94 1.353 -5.641 -1.636 1.00 0.00 C ATOM 1374 CD PRO A 94 1.200 -4.264 -1.055 1.00 0.00 C ATOM 0 HA PRO A 94 2.136 -6.289 1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.465 -5.971 -1.533 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.500 -7.316 -0.958 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.476 -5.597 -2.718 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.469 -6.248 -1.440 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.707 -3.513 -1.661 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.153 -3.969 -0.991 1.00 0.00 H new ATOM 1382 N PRO A 95 4.681 -6.439 1.388 1.00 0.00 N ATOM 1383 CA PRO A 95 6.065 -6.333 1.862 1.00 0.00 C ATOM 1384 C PRO A 95 7.032 -5.972 0.740 1.00 0.00 C ATOM 1385 O PRO A 95 8.035 -5.296 0.965 1.00 0.00 O ATOM 1386 CB PRO A 95 6.373 -7.734 2.403 1.00 0.00 C ATOM 1387 CG PRO A 95 5.390 -8.631 1.733 1.00 0.00 C ATOM 1388 CD PRO A 95 4.151 -7.807 1.533 1.00 0.00 C ATOM 0 HA PRO A 95 6.179 -5.544 2.605 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.397 -8.029 2.174 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.266 -7.771 3.487 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.777 -8.992 0.780 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.181 -9.508 2.345 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.596 -8.121 0.649 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.471 -7.888 2.381 1.00 0.00 H new ATOM 1396 N GLN A 96 6.724 -6.428 -0.470 1.00 0.00 N ATOM 1397 CA GLN A 96 7.565 -6.152 -1.628 1.00 0.00 C ATOM 1398 C GLN A 96 7.681 -4.650 -1.871 1.00 0.00 C ATOM 1399 O GLN A 96 8.684 -4.173 -2.399 1.00 0.00 O ATOM 1400 CB GLN A 96 6.997 -6.839 -2.872 1.00 0.00 C ATOM 1401 CG GLN A 96 5.502 -6.637 -3.048 1.00 0.00 C ATOM 1402 CD GLN A 96 5.097 -6.526 -4.505 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.941 -6.555 -5.401 1.00 0.00 O ATOM 1404 NE2 GLN A 96 3.797 -6.396 -4.750 1.00 0.00 N ATOM 0 H GLN A 96 5.898 -6.990 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 96 8.560 -6.547 -1.425 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.513 -6.460 -3.754 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.207 -7.907 -2.815 1.00 0.00 H new ATOM 0 HG2 GLN A 96 4.970 -7.470 -2.589 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.196 -5.734 -2.520 1.00 0.00 H new ATOM 0 HE21 GLN A 96 3.132 -6.377 -3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 96 3.465 -6.316 -5.711 1.00 0.00 H new ATOM 1413 N LYS A 97 6.647 -3.910 -1.480 1.00 0.00 N ATOM 1414 CA LYS A 97 6.633 -2.463 -1.655 1.00 0.00 C ATOM 1415 C LYS A 97 7.043 -1.756 -0.367 1.00 0.00 C ATOM 1416 O LYS A 97 6.524 -0.687 -0.042 1.00 0.00 O ATOM 1417 CB LYS A 97 5.243 -1.995 -2.088 1.00 0.00 C ATOM 1418 CG LYS A 97 4.784 -2.591 -3.409 1.00 0.00 C ATOM 1419 CD LYS A 97 4.799 -1.556 -4.524 1.00 0.00 C ATOM 1420 CE LYS A 97 3.780 -0.455 -4.276 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.528 0.355 -5.499 1.00 0.00 N ATOM 0 H LYS A 97 5.809 -4.290 -1.040 1.00 0.00 H new ATOM 0 HA LYS A 97 7.353 -2.208 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.523 -2.255 -1.312 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.244 -0.908 -2.170 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.432 -3.425 -3.677 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.777 -2.992 -3.298 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.795 -1.120 -4.604 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.586 -2.042 -5.476 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.844 -0.897 -3.934 1.00 0.00 H new ATOM 0 HE3 LYS A 97 4.136 0.195 -3.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.828 1.094 -5.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.416 0.798 -5.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.164 -0.261 -6.254 1.00 0.00 H new ATOM 1435 N ILE A 98 7.976 -2.358 0.363 1.00 0.00 N ATOM 1436 CA ILE A 98 8.456 -1.785 1.615 1.00 0.00 C ATOM 1437 C ILE A 98 9.973 -1.635 1.605 1.00 0.00 C ATOM 1438 O ILE A 98 10.705 -2.610 1.778 1.00 0.00 O ATOM 1439 CB ILE A 98 8.045 -2.651 2.822 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.555 -2.990 2.750 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.373 -1.936 4.126 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.654 -1.777 2.840 1.00 0.00 C ATOM 0 H ILE A 98 8.415 -3.243 0.109 1.00 0.00 H new ATOM 0 HA ILE A 98 7.997 -0.801 1.709 1.00 0.00 H new ATOM 0 HB ILE A 98 8.611 -3.582 2.792 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.354 -3.513 1.815 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.307 -3.677 3.559 1.00 0.00 H new ATOM 0 HG21 ILE A 98 8.076 -2.561 4.968 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.445 -1.744 4.176 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.833 -0.990 4.168 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.612 -2.092 2.782 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.826 -1.265 3.787 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.874 -1.099 2.016 1.00 0.00 H new ATOM 1454 N SER A 99 10.440 -0.406 1.404 1.00 0.00 N ATOM 1455 CA SER A 99 11.871 -0.128 1.372 1.00 0.00 C ATOM 1456 C SER A 99 12.231 0.982 2.354 1.00 0.00 C ATOM 1457 O SER A 99 11.352 1.634 2.918 1.00 0.00 O ATOM 1458 CB SER A 99 12.303 0.265 -0.041 1.00 0.00 C ATOM 1459 OG SER A 99 12.221 -0.838 -0.926 1.00 0.00 O ATOM 0 H SER A 99 9.848 0.412 1.261 1.00 0.00 H new ATOM 0 HA SER A 99 12.399 -1.035 1.667 1.00 0.00 H new ATOM 0 HB2 SER A 99 11.671 1.075 -0.405 1.00 0.00 H new ATOM 0 HB3 SER A 99 13.325 0.643 -0.020 1.00 0.00 H new ATOM 0 HG SER A 99 12.897 -0.744 -1.629 1.00 0.00 H new ATOM 1465 N HIS A 100 13.528 1.192 2.553 1.00 0.00 N ATOM 1466 CA HIS A 100 14.005 2.224 3.466 1.00 0.00 C ATOM 1467 C HIS A 100 14.082 3.576 2.765 1.00 0.00 C ATOM 1468 O HIS A 100 14.608 3.683 1.656 1.00 0.00 O ATOM 1469 CB HIS A 100 15.378 1.846 4.024 1.00 0.00 C ATOM 1470 CG HIS A 100 15.322 0.794 5.087 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.289 -0.559 4.828 1.00 0.00 N ATOM 1472 CD2 HIS A 100 15.296 0.915 6.439 1.00 0.00 C ATOM 1473 CE1 HIS A 100 15.243 -1.202 6.002 1.00 0.00 C ATOM 1474 NE2 HIS A 100 15.246 -0.353 7.011 1.00 0.00 N ATOM 0 H HIS A 100 14.268 0.661 2.094 1.00 0.00 H new ATOM 0 HA HIS A 100 13.295 2.302 4.290 1.00 0.00 H new ATOM 0 HB2 HIS A 100 16.008 1.493 3.208 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.854 2.738 4.432 1.00 0.00 H new ATOM 0 HD2 HIS A 100 15.312 1.847 6.984 1.00 0.00 H new ATOM 0 HE1 HIS A 100 15.208 -2.276 6.108 1.00 0.00 H new ATOM 0 HE2 HIS A 100 15.218 -0.579 8.005 1.00 0.00 H new ATOM 1482 N ILE A 101 13.556 4.608 3.418 1.00 0.00 N ATOM 1483 CA ILE A 101 13.566 5.953 2.857 1.00 0.00 C ATOM 1484 C ILE A 101 14.958 6.578 2.952 1.00 0.00 C ATOM 1485 O ILE A 101 15.534 6.659 4.037 1.00 0.00 O ATOM 1486 CB ILE A 101 12.557 6.868 3.578 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.197 6.178 3.685 1.00 0.00 C ATOM 1488 CG2 ILE A 101 12.429 8.195 2.845 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.161 6.995 4.427 1.00 0.00 C ATOM 0 H ILE A 101 13.118 4.537 4.336 1.00 0.00 H new ATOM 0 HA ILE A 101 13.281 5.862 1.809 1.00 0.00 H new ATOM 0 HB ILE A 101 12.922 7.066 4.586 1.00 0.00 H new ATOM 0 HG12 ILE A 101 10.828 5.963 2.682 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.323 5.221 4.191 1.00 0.00 H new ATOM 0 HG21 ILE A 101 11.713 8.831 3.366 1.00 0.00 H new ATOM 0 HG22 ILE A 101 13.400 8.690 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.082 8.016 1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.221 6.444 4.464 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.509 7.188 5.442 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.006 7.942 3.910 1.00 0.00 H new ATOM 1501 N PRO A 102 15.521 7.030 1.816 1.00 0.00 N ATOM 1502 CA PRO A 102 16.851 7.648 1.788 1.00 0.00 C ATOM 1503 C PRO A 102 16.969 8.812 2.766 1.00 0.00 C ATOM 1504 O PRO A 102 16.075 9.045 3.580 1.00 0.00 O ATOM 1505 CB PRO A 102 16.989 8.146 0.347 1.00 0.00 C ATOM 1506 CG PRO A 102 16.060 7.289 -0.442 1.00 0.00 C ATOM 1507 CD PRO A 102 14.911 6.976 0.474 1.00 0.00 C ATOM 0 HA PRO A 102 17.630 6.945 2.084 1.00 0.00 H new ATOM 0 HB2 PRO A 102 16.721 9.199 0.265 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.015 8.049 -0.009 1.00 0.00 H new ATOM 0 HG2 PRO A 102 15.716 7.807 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.556 6.376 -0.772 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.104 7.702 0.370 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.486 5.994 0.265 1.00 0.00 H new