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 74 ASN : amide:sc= -0.0503 X(o=-0.048,f=-0.025) USER MOD Set 1.2: A 76 THR OG1 : rot 88:sc= 0.00274 USER MOD Set 2.1: A 42 ASN : amide:sc= -0.0016 X(o=1.2,f=0.9) USER MOD Set 2.2: A 99 SER OG : rot 28:sc= 1.16 USER MOD Single : A 33 HIS : no HD1:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 44 GLN : amide:sc= -2.65! C(o=-2.6!,f=-8!) USER MOD Single : A 51 LYS NZ :NH3+ 170:sc= 1.26 (180deg=1.08) USER MOD Single : A 54 THR OG1 : rot -113:sc= 1.24 USER MOD Single : A 55 SER OG : rot 180:sc= 0 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 72 ASN :FLIP amide:sc= -0.631 F(o=-1.6,f=-0.63) USER MOD Single : A 73 ASN : amide:sc= -0.956 X(o=-0.96,f=-0.88) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot -178:sc= -1.99! USER MOD Single : A 85 CYS SG : rot -130:sc= -1.29 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -108:sc= -0.658 (180deg=-2.82!) USER MOD Single : A 89 HIS : no HE2:sc= -3.62 K(o=-3.6,f=-6!) USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HD1:sc= -0.0908 X(o=-0.091,f=0.011) USER MOD ----------------------------------------------------------------- ATOM 367 N LEU A 29 8.767 -9.371 6.482 1.00 0.00 N ATOM 368 CA LEU A 29 9.201 -8.118 7.087 1.00 0.00 C ATOM 369 C LEU A 29 9.651 -8.338 8.529 1.00 0.00 C ATOM 370 O LEU A 29 9.021 -7.852 9.468 1.00 0.00 O ATOM 371 CB LEU A 29 8.070 -7.088 7.041 1.00 0.00 C ATOM 372 CG LEU A 29 7.667 -6.633 5.637 1.00 0.00 C ATOM 373 CD1 LEU A 29 6.175 -6.345 5.577 1.00 0.00 C ATOM 374 CD2 LEU A 29 8.466 -5.405 5.226 1.00 0.00 C ATOM 0 HA LEU A 29 10.049 -7.740 6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 29 7.195 -7.509 7.535 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.372 -6.213 7.618 1.00 0.00 H new ATOM 0 HG LEU A 29 7.889 -7.438 4.937 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.907 -6.023 4.571 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.620 -7.248 5.829 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.928 -5.557 6.288 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.167 -5.095 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.275 -4.595 5.929 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.529 -5.645 5.229 1.00 0.00 H new ATOM 386 N PHE A 30 10.746 -9.072 8.695 1.00 0.00 N ATOM 387 CA PHE A 30 11.281 -9.356 10.022 1.00 0.00 C ATOM 388 C PHE A 30 12.258 -8.268 10.458 1.00 0.00 C ATOM 389 O PHE A 30 12.387 -7.977 11.647 1.00 0.00 O ATOM 390 CB PHE A 30 11.979 -10.717 10.032 1.00 0.00 C ATOM 391 CG PHE A 30 13.086 -10.831 9.023 1.00 0.00 C ATOM 392 CD1 PHE A 30 14.376 -10.438 9.342 1.00 0.00 C ATOM 393 CD2 PHE A 30 12.837 -11.332 7.754 1.00 0.00 C ATOM 394 CE1 PHE A 30 15.397 -10.541 8.417 1.00 0.00 C ATOM 395 CE2 PHE A 30 13.853 -11.436 6.824 1.00 0.00 C ATOM 396 CZ PHE A 30 15.135 -11.041 7.155 1.00 0.00 C ATOM 0 H PHE A 30 11.280 -9.481 7.928 1.00 0.00 H new ATOM 0 HA PHE A 30 10.449 -9.376 10.726 1.00 0.00 H new ATOM 0 HB2 PHE A 30 12.385 -10.901 11.027 1.00 0.00 H new ATOM 0 HB3 PHE A 30 11.241 -11.496 9.840 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.586 -10.046 10.326 1.00 0.00 H new ATOM 0 HD2 PHE A 30 11.837 -11.644 7.490 1.00 0.00 H new ATOM 0 HE1 PHE A 30 16.398 -10.232 8.679 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.645 -11.826 5.838 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.931 -11.123 6.429 1.00 0.00 H new ATOM 406 N ASP A 31 12.943 -7.673 9.488 1.00 0.00 N ATOM 407 CA ASP A 31 13.909 -6.618 9.771 1.00 0.00 C ATOM 408 C ASP A 31 13.291 -5.240 9.555 1.00 0.00 C ATOM 409 O ASP A 31 13.959 -4.314 9.095 1.00 0.00 O ATOM 410 CB ASP A 31 15.147 -6.779 8.886 1.00 0.00 C ATOM 411 CG ASP A 31 16.375 -6.123 9.485 1.00 0.00 C ATOM 412 OD1 ASP A 31 16.599 -4.925 9.214 1.00 0.00 O ATOM 413 OD2 ASP A 31 17.113 -6.807 10.224 1.00 0.00 O ATOM 0 H ASP A 31 12.847 -7.903 8.499 1.00 0.00 H new ATOM 0 HA ASP A 31 14.205 -6.703 10.817 1.00 0.00 H new ATOM 0 HB2 ASP A 31 15.344 -7.840 8.731 1.00 0.00 H new ATOM 0 HB3 ASP A 31 14.948 -6.345 7.906 1.00 0.00 H new ATOM 418 N PHE A 32 12.011 -5.112 9.889 1.00 0.00 N ATOM 419 CA PHE A 32 11.303 -3.847 9.731 1.00 0.00 C ATOM 420 C PHE A 32 10.551 -3.482 11.007 1.00 0.00 C ATOM 421 O PHE A 32 9.383 -3.833 11.174 1.00 0.00 O ATOM 422 CB PHE A 32 10.327 -3.928 8.556 1.00 0.00 C ATOM 423 CG PHE A 32 10.933 -3.521 7.243 1.00 0.00 C ATOM 424 CD1 PHE A 32 11.610 -4.444 6.462 1.00 0.00 C ATOM 425 CD2 PHE A 32 10.827 -2.216 6.790 1.00 0.00 C ATOM 426 CE1 PHE A 32 12.168 -4.073 5.254 1.00 0.00 C ATOM 427 CE2 PHE A 32 11.383 -1.839 5.583 1.00 0.00 C ATOM 428 CZ PHE A 32 12.055 -2.769 4.814 1.00 0.00 C ATOM 0 H PHE A 32 11.443 -5.869 10.271 1.00 0.00 H new ATOM 0 HA PHE A 32 12.040 -3.069 9.529 1.00 0.00 H new ATOM 0 HB2 PHE A 32 9.954 -4.949 8.474 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.468 -3.290 8.763 1.00 0.00 H new ATOM 0 HD1 PHE A 32 11.702 -5.465 6.802 1.00 0.00 H new ATOM 0 HD2 PHE A 32 10.303 -1.485 7.388 1.00 0.00 H new ATOM 0 HE1 PHE A 32 12.692 -4.802 4.654 1.00 0.00 H new ATOM 0 HE2 PHE A 32 11.292 -0.819 5.241 1.00 0.00 H new ATOM 0 HZ PHE A 32 12.491 -2.477 3.870 1.00 0.00 H new ATOM 438 N HIS A 33 11.229 -2.776 11.906 1.00 0.00 N ATOM 439 CA HIS A 33 10.626 -2.364 13.167 1.00 0.00 C ATOM 440 C HIS A 33 9.531 -1.328 12.935 1.00 0.00 C ATOM 441 O HIS A 33 9.611 -0.523 12.006 1.00 0.00 O ATOM 442 CB HIS A 33 11.693 -1.795 14.105 1.00 0.00 C ATOM 443 CG HIS A 33 12.313 -2.823 14.999 1.00 0.00 C ATOM 444 ND1 HIS A 33 12.728 -2.569 16.288 1.00 0.00 N ATOM 445 CD2 HIS A 33 12.588 -4.132 14.768 1.00 0.00 C ATOM 446 CE1 HIS A 33 13.230 -3.706 16.788 1.00 0.00 C ATOM 447 NE2 HIS A 33 13.168 -4.685 15.906 1.00 0.00 N ATOM 0 H HIS A 33 12.197 -2.477 11.784 1.00 0.00 H new ATOM 0 HA HIS A 33 10.177 -3.243 13.630 1.00 0.00 H new ATOM 0 HB2 HIS A 33 12.475 -1.324 13.509 1.00 0.00 H new ATOM 0 HB3 HIS A 33 11.246 -1.013 14.719 1.00 0.00 H new ATOM 0 HD2 HIS A 33 12.388 -4.660 13.847 1.00 0.00 H new ATOM 0 HE1 HIS A 33 13.633 -3.808 17.785 1.00 0.00 H new ATOM 0 HE2 HIS A 33 13.480 -5.648 16.032 1.00 0.00 H new ATOM 455 N ILE A 34 8.510 -1.353 13.785 1.00 0.00 N ATOM 456 CA ILE A 34 7.399 -0.416 13.673 1.00 0.00 C ATOM 457 C ILE A 34 7.794 0.967 14.182 1.00 0.00 C ATOM 458 O ILE A 34 8.180 1.126 15.340 1.00 0.00 O ATOM 459 CB ILE A 34 6.168 -0.906 14.458 1.00 0.00 C ATOM 460 CG1 ILE A 34 5.866 -2.366 14.117 1.00 0.00 C ATOM 461 CG2 ILE A 34 4.963 -0.026 14.161 1.00 0.00 C ATOM 462 CD1 ILE A 34 5.465 -2.579 12.673 1.00 0.00 C ATOM 0 H ILE A 34 8.429 -2.012 14.559 1.00 0.00 H new ATOM 0 HA ILE A 34 7.144 -0.353 12.615 1.00 0.00 H new ATOM 0 HB ILE A 34 6.386 -0.839 15.524 1.00 0.00 H new ATOM 0 HG12 ILE A 34 6.746 -2.971 14.334 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.066 -2.724 14.765 1.00 0.00 H new ATOM 0 HG21 ILE A 34 4.102 -0.386 14.724 1.00 0.00 H new ATOM 0 HG22 ILE A 34 5.182 1.001 14.451 1.00 0.00 H new ATOM 0 HG23 ILE A 34 4.740 -0.062 13.095 1.00 0.00 H new ATOM 0 HD11 ILE A 34 5.266 -3.637 12.503 1.00 0.00 H new ATOM 0 HD12 ILE A 34 4.567 -2.001 12.456 1.00 0.00 H new ATOM 0 HD13 ILE A 34 6.273 -2.252 12.019 1.00 0.00 H new ATOM 474 N GLY A 35 7.693 1.964 13.310 1.00 0.00 N ATOM 475 CA GLY A 35 8.044 3.320 13.690 1.00 0.00 C ATOM 476 C GLY A 35 9.328 3.792 13.038 1.00 0.00 C ATOM 477 O GLY A 35 10.039 4.632 13.588 1.00 0.00 O ATOM 0 H GLY A 35 7.374 1.858 12.347 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.232 3.993 13.414 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.149 3.374 14.774 1.00 0.00 H new ATOM 481 N ASP A 36 9.627 3.250 11.862 1.00 0.00 N ATOM 482 CA ASP A 36 10.835 3.620 11.134 1.00 0.00 C ATOM 483 C ASP A 36 10.494 4.127 9.736 1.00 0.00 C ATOM 484 O ASP A 36 9.498 3.715 9.141 1.00 0.00 O ATOM 485 CB ASP A 36 11.783 2.424 11.037 1.00 0.00 C ATOM 486 CG ASP A 36 12.404 2.067 12.373 1.00 0.00 C ATOM 487 OD1 ASP A 36 12.941 2.978 13.040 1.00 0.00 O ATOM 488 OD2 ASP A 36 12.352 0.879 12.755 1.00 0.00 O ATOM 0 H ASP A 36 9.049 2.553 11.393 1.00 0.00 H new ATOM 0 HA ASP A 36 11.328 4.423 11.682 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.238 1.562 10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.573 2.648 10.321 1.00 0.00 H new ATOM 493 N ARG A 37 11.327 5.023 9.218 1.00 0.00 N ATOM 494 CA ARG A 37 11.114 5.588 7.889 1.00 0.00 C ATOM 495 C ARG A 37 11.121 4.493 6.828 1.00 0.00 C ATOM 496 O ARG A 37 12.063 3.705 6.741 1.00 0.00 O ATOM 497 CB ARG A 37 12.191 6.628 7.575 1.00 0.00 C ATOM 498 CG ARG A 37 11.954 7.971 8.248 1.00 0.00 C ATOM 499 CD ARG A 37 13.265 8.660 8.592 1.00 0.00 C ATOM 500 NE ARG A 37 13.212 9.314 9.898 1.00 0.00 N ATOM 501 CZ ARG A 37 14.289 9.708 10.573 1.00 0.00 C ATOM 502 NH1 ARG A 37 15.503 9.519 10.071 1.00 0.00 N ATOM 503 NH2 ARG A 37 14.152 10.296 11.753 1.00 0.00 N ATOM 0 H ARG A 37 12.156 5.374 9.697 1.00 0.00 H new ATOM 0 HA ARG A 37 10.138 6.074 7.878 1.00 0.00 H new ATOM 0 HB2 ARG A 37 13.161 6.240 7.887 1.00 0.00 H new ATOM 0 HB3 ARG A 37 12.239 6.775 6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 37 11.367 8.611 7.589 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.369 7.826 9.156 1.00 0.00 H new ATOM 0 HD2 ARG A 37 14.072 7.928 8.585 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.499 9.399 7.825 1.00 0.00 H new ATOM 0 HE ARG A 37 12.296 9.478 10.316 1.00 0.00 H new ATOM 0 HH11 ARG A 37 15.615 9.069 9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 37 16.324 9.824 10.594 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.222 10.446 12.143 1.00 0.00 H new ATOM 0 HH22 ARG A 37 14.977 10.598 12.271 1.00 0.00 H new ATOM 517 N VAL A 38 10.067 4.452 6.020 1.00 0.00 N ATOM 518 CA VAL A 38 9.954 3.454 4.964 1.00 0.00 C ATOM 519 C VAL A 38 9.321 4.048 3.710 1.00 0.00 C ATOM 520 O VAL A 38 8.367 4.823 3.792 1.00 0.00 O ATOM 521 CB VAL A 38 9.119 2.243 5.421 1.00 0.00 C ATOM 522 CG1 VAL A 38 9.871 1.443 6.474 1.00 0.00 C ATOM 523 CG2 VAL A 38 7.767 2.697 5.950 1.00 0.00 C ATOM 0 H VAL A 38 9.280 5.098 6.076 1.00 0.00 H new ATOM 0 HA VAL A 38 10.967 3.122 4.735 1.00 0.00 H new ATOM 0 HB VAL A 38 8.948 1.596 4.561 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.266 0.591 6.785 1.00 0.00 H new ATOM 0 HG12 VAL A 38 10.812 1.086 6.056 1.00 0.00 H new ATOM 0 HG13 VAL A 38 10.075 2.078 7.336 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.191 1.828 6.268 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.914 3.366 6.798 1.00 0.00 H new ATOM 0 HG23 VAL A 38 7.226 3.223 5.163 1.00 0.00 H new ATOM 533 N LEU A 39 9.858 3.680 2.552 1.00 0.00 N ATOM 534 CA LEU A 39 9.346 4.176 1.279 1.00 0.00 C ATOM 535 C LEU A 39 8.533 3.100 0.566 1.00 0.00 C ATOM 536 O LEU A 39 8.998 1.974 0.386 1.00 0.00 O ATOM 537 CB LEU A 39 10.499 4.636 0.386 1.00 0.00 C ATOM 538 CG LEU A 39 10.138 5.713 -0.638 1.00 0.00 C ATOM 539 CD1 LEU A 39 9.483 6.903 0.046 1.00 0.00 C ATOM 540 CD2 LEU A 39 11.376 6.152 -1.406 1.00 0.00 C ATOM 0 H LEU A 39 10.648 3.040 2.468 1.00 0.00 H new ATOM 0 HA LEU A 39 8.694 5.025 1.483 1.00 0.00 H new ATOM 0 HB2 LEU A 39 11.301 5.014 1.020 1.00 0.00 H new ATOM 0 HB3 LEU A 39 10.894 3.770 -0.145 1.00 0.00 H new ATOM 0 HG LEU A 39 9.425 5.291 -1.346 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.233 7.659 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 39 8.574 6.577 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.172 7.327 0.777 1.00 0.00 H new ATOM 0 HD21 LEU A 39 11.102 6.919 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 39 12.111 6.557 -0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 39 11.803 5.296 -1.928 1.00 0.00 H new ATOM 552 N ILE A 40 7.316 3.452 0.164 1.00 0.00 N ATOM 553 CA ILE A 40 6.440 2.515 -0.529 1.00 0.00 C ATOM 554 C ILE A 40 6.634 2.593 -2.040 1.00 0.00 C ATOM 555 O ILE A 40 6.337 3.612 -2.662 1.00 0.00 O ATOM 556 CB ILE A 40 4.958 2.782 -0.199 1.00 0.00 C ATOM 557 CG1 ILE A 40 4.765 2.906 1.314 1.00 0.00 C ATOM 558 CG2 ILE A 40 4.082 1.673 -0.762 1.00 0.00 C ATOM 559 CD1 ILE A 40 3.351 3.264 1.715 1.00 0.00 C ATOM 0 H ILE A 40 6.914 4.379 0.306 1.00 0.00 H new ATOM 0 HA ILE A 40 6.709 1.517 -0.182 1.00 0.00 H new ATOM 0 HB ILE A 40 4.661 3.723 -0.662 1.00 0.00 H new ATOM 0 HG12 ILE A 40 5.040 1.963 1.786 1.00 0.00 H new ATOM 0 HG13 ILE A 40 5.446 3.665 1.698 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.039 1.876 -0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.202 1.628 -1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.377 0.719 -0.325 1.00 0.00 H new ATOM 0 HD11 ILE A 40 3.288 3.335 2.801 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.079 4.222 1.272 1.00 0.00 H new ATOM 0 HD13 ILE A 40 2.666 2.493 1.361 1.00 0.00 H new ATOM 571 N GLY A 41 7.133 1.508 -2.622 1.00 0.00 N ATOM 572 CA GLY A 41 7.358 1.471 -4.056 1.00 0.00 C ATOM 573 C GLY A 41 8.296 2.566 -4.527 1.00 0.00 C ATOM 574 O GLY A 41 8.288 2.935 -5.702 1.00 0.00 O ATOM 0 H GLY A 41 7.386 0.653 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 41 7.771 0.500 -4.330 1.00 0.00 H new ATOM 0 HA3 GLY A 41 6.403 1.568 -4.573 1.00 0.00 H new ATOM 578 N ASN A 42 9.108 3.087 -3.612 1.00 0.00 N ATOM 579 CA ASN A 42 10.056 4.147 -3.943 1.00 0.00 C ATOM 580 C ASN A 42 9.340 5.349 -4.553 1.00 0.00 C ATOM 581 O ASN A 42 9.692 5.811 -5.639 1.00 0.00 O ATOM 582 CB ASN A 42 11.119 3.622 -4.911 1.00 0.00 C ATOM 583 CG ASN A 42 11.836 2.400 -4.374 1.00 0.00 C ATOM 584 OD1 ASN A 42 11.783 1.323 -4.969 1.00 0.00 O ATOM 585 ND2 ASN A 42 12.513 2.559 -3.243 1.00 0.00 N ATOM 0 H ASN A 42 9.129 2.793 -2.636 1.00 0.00 H new ATOM 0 HA ASN A 42 10.541 4.469 -3.021 1.00 0.00 H new ATOM 0 HB2 ASN A 42 10.649 3.375 -5.863 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.847 4.409 -5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 42 13.016 1.771 -2.834 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.531 3.469 -2.783 1.00 0.00 H new ATOM 592 N VAL A 43 8.333 5.853 -3.847 1.00 0.00 N ATOM 593 CA VAL A 43 7.569 7.001 -4.319 1.00 0.00 C ATOM 594 C VAL A 43 6.683 7.566 -3.213 1.00 0.00 C ATOM 595 O VAL A 43 6.586 8.781 -3.042 1.00 0.00 O ATOM 596 CB VAL A 43 6.691 6.629 -5.532 1.00 0.00 C ATOM 597 CG1 VAL A 43 5.669 5.568 -5.152 1.00 0.00 C ATOM 598 CG2 VAL A 43 6.005 7.866 -6.097 1.00 0.00 C ATOM 0 H VAL A 43 8.028 5.484 -2.946 1.00 0.00 H new ATOM 0 HA VAL A 43 8.290 7.760 -4.622 1.00 0.00 H new ATOM 0 HB VAL A 43 7.336 6.214 -6.307 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.061 5.321 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 43 6.185 4.673 -4.804 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.028 5.949 -4.357 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.391 7.583 -6.952 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.374 8.315 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 43 6.758 8.587 -6.415 1.00 0.00 H new ATOM 608 N GLN A 44 6.037 6.676 -2.465 1.00 0.00 N ATOM 609 CA GLN A 44 5.158 7.088 -1.376 1.00 0.00 C ATOM 610 C GLN A 44 5.858 6.946 -0.025 1.00 0.00 C ATOM 611 O GLN A 44 5.936 5.849 0.528 1.00 0.00 O ATOM 612 CB GLN A 44 3.877 6.253 -1.387 1.00 0.00 C ATOM 613 CG GLN A 44 2.768 6.853 -2.236 1.00 0.00 C ATOM 614 CD GLN A 44 1.420 6.822 -1.543 1.00 0.00 C ATOM 615 OE1 GLN A 44 1.221 6.082 -0.580 1.00 0.00 O ATOM 616 NE2 GLN A 44 0.484 7.628 -2.031 1.00 0.00 N ATOM 0 H GLN A 44 6.106 5.666 -2.593 1.00 0.00 H new ATOM 0 HA GLN A 44 4.904 8.138 -1.525 1.00 0.00 H new ATOM 0 HB2 GLN A 44 4.107 5.254 -1.758 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.519 6.139 -0.364 1.00 0.00 H new ATOM 0 HG2 GLN A 44 3.022 7.884 -2.482 1.00 0.00 H new ATOM 0 HG3 GLN A 44 2.701 6.308 -3.177 1.00 0.00 H new ATOM 0 HE21 GLN A 44 0.692 8.225 -2.831 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -0.443 7.650 -1.605 1.00 0.00 H new ATOM 625 N PRO A 45 6.376 8.058 0.528 1.00 0.00 N ATOM 626 CA PRO A 45 7.069 8.044 1.820 1.00 0.00 C ATOM 627 C PRO A 45 6.104 7.888 2.992 1.00 0.00 C ATOM 628 O PRO A 45 4.944 8.291 2.910 1.00 0.00 O ATOM 629 CB PRO A 45 7.750 9.410 1.868 1.00 0.00 C ATOM 630 CG PRO A 45 6.886 10.289 1.031 1.00 0.00 C ATOM 631 CD PRO A 45 6.331 9.411 -0.059 1.00 0.00 C ATOM 0 HA PRO A 45 7.759 7.205 1.906 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.822 9.782 2.890 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.765 9.361 1.475 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.084 10.727 1.625 1.00 0.00 H new ATOM 0 HG3 PRO A 45 7.460 11.115 0.612 1.00 0.00 H new ATOM 0 HD2 PRO A 45 5.314 9.698 -0.326 1.00 0.00 H new ATOM 0 HD3 PRO A 45 6.929 9.474 -0.968 1.00 0.00 H new ATOM 639 N GLY A 46 6.591 7.301 4.079 1.00 0.00 N ATOM 640 CA GLY A 46 5.758 7.104 5.251 1.00 0.00 C ATOM 641 C GLY A 46 6.473 6.343 6.350 1.00 0.00 C ATOM 642 O GLY A 46 7.675 6.096 6.264 1.00 0.00 O ATOM 0 H GLY A 46 7.547 6.958 4.170 1.00 0.00 H new ATOM 0 HA2 GLY A 46 5.439 8.074 5.633 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.857 6.562 4.965 1.00 0.00 H new ATOM 646 N ILE A 47 5.730 5.970 7.388 1.00 0.00 N ATOM 647 CA ILE A 47 6.298 5.232 8.509 1.00 0.00 C ATOM 648 C ILE A 47 5.595 3.892 8.697 1.00 0.00 C ATOM 649 O ILE A 47 4.367 3.819 8.696 1.00 0.00 O ATOM 650 CB ILE A 47 6.199 6.037 9.821 1.00 0.00 C ATOM 651 CG1 ILE A 47 6.739 7.456 9.620 1.00 0.00 C ATOM 652 CG2 ILE A 47 6.956 5.329 10.936 1.00 0.00 C ATOM 653 CD1 ILE A 47 5.846 8.529 10.203 1.00 0.00 C ATOM 0 H ILE A 47 4.733 6.167 7.475 1.00 0.00 H new ATOM 0 HA ILE A 47 7.348 5.060 8.274 1.00 0.00 H new ATOM 0 HB ILE A 47 5.150 6.106 10.107 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.726 7.529 10.076 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.866 7.640 8.553 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.877 5.909 11.855 1.00 0.00 H new ATOM 0 HG22 ILE A 47 6.529 4.339 11.094 1.00 0.00 H new ATOM 0 HG23 ILE A 47 8.005 5.231 10.658 1.00 0.00 H new ATOM 0 HD11 ILE A 47 6.290 9.508 10.024 1.00 0.00 H new ATOM 0 HD12 ILE A 47 4.865 8.483 9.730 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.739 8.370 11.276 1.00 0.00 H new ATOM 665 N LEU A 48 6.383 2.834 8.857 1.00 0.00 N ATOM 666 CA LEU A 48 5.835 1.496 9.048 1.00 0.00 C ATOM 667 C LEU A 48 5.115 1.390 10.387 1.00 0.00 C ATOM 668 O LEU A 48 5.749 1.344 11.442 1.00 0.00 O ATOM 669 CB LEU A 48 6.949 0.451 8.969 1.00 0.00 C ATOM 670 CG LEU A 48 6.482 -1.002 9.077 1.00 0.00 C ATOM 671 CD1 LEU A 48 6.000 -1.509 7.727 1.00 0.00 C ATOM 672 CD2 LEU A 48 7.603 -1.881 9.611 1.00 0.00 C ATOM 0 H LEU A 48 7.402 2.877 8.858 1.00 0.00 H new ATOM 0 HA LEU A 48 5.113 1.308 8.253 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.479 0.577 8.025 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.667 0.646 9.766 1.00 0.00 H new ATOM 0 HG LEU A 48 5.647 -1.046 9.776 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.672 -2.544 7.823 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.168 -0.895 7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.815 -1.452 7.005 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.255 -2.911 9.682 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.457 -1.832 8.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 7.901 -1.530 10.599 1.00 0.00 H new ATOM 684 N ARG A 49 3.788 1.353 10.339 1.00 0.00 N ATOM 685 CA ARG A 49 2.980 1.254 11.550 1.00 0.00 C ATOM 686 C ARG A 49 2.537 -0.185 11.793 1.00 0.00 C ATOM 687 O ARG A 49 2.400 -0.618 12.938 1.00 0.00 O ATOM 688 CB ARG A 49 1.758 2.167 11.448 1.00 0.00 C ATOM 689 CG ARG A 49 2.099 3.648 11.509 1.00 0.00 C ATOM 690 CD ARG A 49 2.401 4.094 12.931 1.00 0.00 C ATOM 691 NE ARG A 49 1.313 4.891 13.496 1.00 0.00 N ATOM 692 CZ ARG A 49 1.408 5.570 14.636 1.00 0.00 C ATOM 693 NH1 ARG A 49 2.535 5.552 15.337 1.00 0.00 N ATOM 694 NH2 ARG A 49 0.371 6.270 15.079 1.00 0.00 N ATOM 0 H ARG A 49 3.248 1.390 9.474 1.00 0.00 H new ATOM 0 HA ARG A 49 3.593 1.572 12.393 1.00 0.00 H new ATOM 0 HB2 ARG A 49 1.237 1.961 10.513 1.00 0.00 H new ATOM 0 HB3 ARG A 49 1.067 1.928 12.257 1.00 0.00 H new ATOM 0 HG2 ARG A 49 2.961 3.850 10.873 1.00 0.00 H new ATOM 0 HG3 ARG A 49 1.267 4.230 11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 49 2.573 3.218 13.557 1.00 0.00 H new ATOM 0 HD3 ARG A 49 3.321 4.678 12.940 1.00 0.00 H new ATOM 0 HE ARG A 49 0.430 4.928 12.987 1.00 0.00 H new ATOM 0 HH11 ARG A 49 3.335 5.015 15.002 1.00 0.00 H new ATOM 0 HH12 ARG A 49 2.601 6.075 16.210 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -0.498 6.287 14.545 1.00 0.00 H new ATOM 0 HH22 ARG A 49 0.443 6.791 15.953 1.00 0.00 H new ATOM 708 N PHE A 50 2.313 -0.920 10.710 1.00 0.00 N ATOM 709 CA PHE A 50 1.884 -2.311 10.803 1.00 0.00 C ATOM 710 C PHE A 50 2.550 -3.157 9.723 1.00 0.00 C ATOM 711 O PHE A 50 3.073 -2.628 8.742 1.00 0.00 O ATOM 712 CB PHE A 50 0.363 -2.405 10.678 1.00 0.00 C ATOM 713 CG PHE A 50 -0.169 -3.802 10.830 1.00 0.00 C ATOM 714 CD1 PHE A 50 -0.336 -4.362 12.086 1.00 0.00 C ATOM 715 CD2 PHE A 50 -0.501 -4.556 9.715 1.00 0.00 C ATOM 716 CE1 PHE A 50 -0.825 -5.646 12.229 1.00 0.00 C ATOM 717 CE2 PHE A 50 -0.991 -5.841 9.851 1.00 0.00 C ATOM 718 CZ PHE A 50 -1.153 -6.387 11.109 1.00 0.00 C ATOM 0 H PHE A 50 2.421 -0.576 9.756 1.00 0.00 H new ATOM 0 HA PHE A 50 2.185 -2.696 11.777 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -0.095 -1.767 11.434 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.062 -2.015 9.706 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.081 -3.788 12.964 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -0.375 -4.134 8.729 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.951 -6.070 13.214 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -1.247 -6.418 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 50 -1.535 -7.391 11.218 1.00 0.00 H new ATOM 728 N LYS A 51 2.527 -4.473 9.909 1.00 0.00 N ATOM 729 CA LYS A 51 3.128 -5.390 8.949 1.00 0.00 C ATOM 730 C LYS A 51 2.849 -6.839 9.332 1.00 0.00 C ATOM 731 O LYS A 51 3.456 -7.375 10.260 1.00 0.00 O ATOM 732 CB LYS A 51 4.638 -5.155 8.861 1.00 0.00 C ATOM 733 CG LYS A 51 5.328 -5.121 10.218 1.00 0.00 C ATOM 734 CD LYS A 51 6.346 -6.241 10.357 1.00 0.00 C ATOM 735 CE LYS A 51 7.090 -6.157 11.680 1.00 0.00 C ATOM 736 NZ LYS A 51 7.865 -7.396 11.962 1.00 0.00 N ATOM 0 H LYS A 51 2.099 -4.927 10.716 1.00 0.00 H new ATOM 0 HA LYS A 51 2.681 -5.198 7.974 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.085 -5.942 8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 51 4.821 -4.212 8.345 1.00 0.00 H new ATOM 0 HG2 LYS A 51 5.824 -4.159 10.351 1.00 0.00 H new ATOM 0 HG3 LYS A 51 4.582 -5.207 11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 51 5.841 -7.204 10.283 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.059 -6.191 9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 51 7.766 -5.302 11.662 1.00 0.00 H new ATOM 0 HE3 LYS A 51 6.378 -5.983 12.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 8.488 -7.237 12.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 7.209 -8.175 12.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 8.441 -7.642 11.131 1.00 0.00 H new ATOM 750 N GLY A 52 1.926 -7.468 8.612 1.00 0.00 N ATOM 751 CA GLY A 52 1.581 -8.850 8.892 1.00 0.00 C ATOM 752 C GLY A 52 0.338 -9.298 8.150 1.00 0.00 C ATOM 753 O GLY A 52 -0.182 -8.574 7.301 1.00 0.00 O ATOM 0 H GLY A 52 1.411 -7.046 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.417 -9.493 8.616 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.425 -8.972 9.964 1.00 0.00 H new ATOM 757 N GLU A 53 -0.141 -10.495 8.471 1.00 0.00 N ATOM 758 CA GLU A 53 -1.331 -11.039 7.829 1.00 0.00 C ATOM 759 C GLU A 53 -2.581 -10.283 8.268 1.00 0.00 C ATOM 760 O GLU A 53 -2.720 -9.917 9.435 1.00 0.00 O ATOM 761 CB GLU A 53 -1.480 -12.526 8.159 1.00 0.00 C ATOM 762 CG GLU A 53 -0.274 -13.361 7.756 1.00 0.00 C ATOM 763 CD GLU A 53 0.180 -14.298 8.858 1.00 0.00 C ATOM 764 OE1 GLU A 53 0.842 -13.824 9.805 1.00 0.00 O ATOM 765 OE2 GLU A 53 -0.125 -15.507 8.774 1.00 0.00 O ATOM 0 H GLU A 53 0.277 -11.107 9.172 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.216 -10.922 6.751 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.647 -12.637 9.230 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.365 -12.915 7.656 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.520 -13.943 6.868 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.548 -12.698 7.486 1.00 0.00 H new ATOM 772 N THR A 54 -3.488 -10.052 7.325 1.00 0.00 N ATOM 773 CA THR A 54 -4.727 -9.340 7.614 1.00 0.00 C ATOM 774 C THR A 54 -5.904 -10.308 7.695 1.00 0.00 C ATOM 775 O THR A 54 -5.757 -11.501 7.431 1.00 0.00 O ATOM 776 CB THR A 54 -4.995 -8.283 6.540 1.00 0.00 C ATOM 777 OG1 THR A 54 -4.619 -8.760 5.261 1.00 0.00 O ATOM 778 CG2 THR A 54 -4.256 -6.985 6.782 1.00 0.00 C ATOM 0 H THR A 54 -3.388 -10.348 6.354 1.00 0.00 H new ATOM 0 HA THR A 54 -4.617 -8.847 8.580 1.00 0.00 H new ATOM 0 HB THR A 54 -6.066 -8.087 6.588 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.858 -8.240 4.928 1.00 0.00 H new ATOM 0 HG21 THR A 54 -4.490 -6.279 5.985 1.00 0.00 H new ATOM 0 HG22 THR A 54 -4.563 -6.565 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 54 -3.183 -7.174 6.796 1.00 0.00 H new ATOM 786 N SER A 55 -7.069 -9.785 8.061 1.00 0.00 N ATOM 787 CA SER A 55 -8.270 -10.604 8.176 1.00 0.00 C ATOM 788 C SER A 55 -9.028 -10.648 6.853 1.00 0.00 C ATOM 789 O SER A 55 -9.672 -11.644 6.528 1.00 0.00 O ATOM 790 CB SER A 55 -9.181 -10.060 9.280 1.00 0.00 C ATOM 791 OG SER A 55 -9.848 -11.113 9.956 1.00 0.00 O ATOM 0 H SER A 55 -7.207 -8.799 8.283 1.00 0.00 H new ATOM 0 HA SER A 55 -7.964 -11.618 8.433 1.00 0.00 H new ATOM 0 HB2 SER A 55 -8.590 -9.483 9.992 1.00 0.00 H new ATOM 0 HB3 SER A 55 -9.914 -9.379 8.848 1.00 0.00 H new ATOM 0 HG SER A 55 -10.422 -10.740 10.657 1.00 0.00 H new ATOM 797 N PHE A 56 -8.946 -9.560 6.094 1.00 0.00 N ATOM 798 CA PHE A 56 -9.624 -9.474 4.806 1.00 0.00 C ATOM 799 C PHE A 56 -8.772 -10.089 3.701 1.00 0.00 C ATOM 800 O PHE A 56 -9.296 -10.638 2.732 1.00 0.00 O ATOM 801 CB PHE A 56 -9.940 -8.016 4.469 1.00 0.00 C ATOM 802 CG PHE A 56 -8.730 -7.125 4.460 1.00 0.00 C ATOM 803 CD1 PHE A 56 -7.968 -6.983 3.311 1.00 0.00 C ATOM 804 CD2 PHE A 56 -8.355 -6.432 5.599 1.00 0.00 C ATOM 805 CE1 PHE A 56 -6.854 -6.166 3.299 1.00 0.00 C ATOM 806 CE2 PHE A 56 -7.242 -5.614 5.593 1.00 0.00 C ATOM 807 CZ PHE A 56 -6.491 -5.480 4.441 1.00 0.00 C ATOM 0 H PHE A 56 -8.417 -8.726 6.349 1.00 0.00 H new ATOM 0 HA PHE A 56 -10.556 -10.034 4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 56 -10.419 -7.974 3.491 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -10.658 -7.632 5.193 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -8.248 -7.517 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 56 -8.939 -6.532 6.502 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -6.268 -6.064 2.398 1.00 0.00 H new ATOM 0 HE2 PHE A 56 -6.959 -5.080 6.488 1.00 0.00 H new ATOM 0 HZ PHE A 56 -5.621 -4.840 4.434 1.00 0.00 H new ATOM 817 N ALA A 57 -7.454 -9.994 3.853 1.00 0.00 N ATOM 818 CA ALA A 57 -6.529 -10.542 2.868 1.00 0.00 C ATOM 819 C ALA A 57 -5.527 -11.487 3.522 1.00 0.00 C ATOM 820 O ALA A 57 -5.441 -11.565 4.748 1.00 0.00 O ATOM 821 CB ALA A 57 -5.804 -9.417 2.146 1.00 0.00 C ATOM 0 H ALA A 57 -7.003 -9.543 4.649 1.00 0.00 H new ATOM 0 HA ALA A 57 -7.106 -11.114 2.141 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -5.116 -9.839 1.413 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -6.531 -8.783 1.639 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -5.245 -8.822 2.868 1.00 0.00 H new ATOM 827 N LYS A 58 -4.770 -12.201 2.695 1.00 0.00 N ATOM 828 CA LYS A 58 -3.772 -13.142 3.192 1.00 0.00 C ATOM 829 C LYS A 58 -2.366 -12.698 2.804 1.00 0.00 C ATOM 830 O LYS A 58 -2.185 -11.932 1.857 1.00 0.00 O ATOM 831 CB LYS A 58 -4.050 -14.546 2.647 1.00 0.00 C ATOM 832 CG LYS A 58 -4.351 -15.570 3.730 1.00 0.00 C ATOM 833 CD LYS A 58 -3.074 -16.151 4.316 1.00 0.00 C ATOM 834 CE LYS A 58 -3.345 -17.447 5.063 1.00 0.00 C ATOM 835 NZ LYS A 58 -2.126 -18.298 5.158 1.00 0.00 N ATOM 0 H LYS A 58 -4.828 -12.146 1.678 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.837 -13.164 4.280 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -4.894 -14.499 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.187 -14.881 2.072 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.936 -15.103 4.522 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -4.960 -16.373 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.356 -16.333 3.517 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.621 -15.427 4.993 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.708 -17.219 6.065 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.135 -18.000 4.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.352 -19.172 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.794 -18.537 4.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.380 -17.780 5.665 1.00 0.00 H new ATOM 849 N GLY A 59 -1.372 -13.182 3.543 1.00 0.00 N ATOM 850 CA GLY A 59 0.005 -12.824 3.259 1.00 0.00 C ATOM 851 C GLY A 59 0.533 -11.762 4.204 1.00 0.00 C ATOM 852 O GLY A 59 0.329 -11.841 5.415 1.00 0.00 O ATOM 0 H GLY A 59 -1.496 -13.815 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.631 -13.714 3.330 1.00 0.00 H new ATOM 0 HA3 GLY A 59 0.080 -12.463 2.233 1.00 0.00 H new ATOM 856 N PHE A 60 1.213 -10.765 3.648 1.00 0.00 N ATOM 857 CA PHE A 60 1.773 -9.681 4.447 1.00 0.00 C ATOM 858 C PHE A 60 1.261 -8.329 3.961 1.00 0.00 C ATOM 859 O PHE A 60 1.262 -8.049 2.762 1.00 0.00 O ATOM 860 CB PHE A 60 3.301 -9.714 4.393 1.00 0.00 C ATOM 861 CG PHE A 60 3.929 -10.383 5.584 1.00 0.00 C ATOM 862 CD1 PHE A 60 3.966 -11.764 5.678 1.00 0.00 C ATOM 863 CD2 PHE A 60 4.481 -9.629 6.606 1.00 0.00 C ATOM 864 CE1 PHE A 60 4.543 -12.382 6.772 1.00 0.00 C ATOM 865 CE2 PHE A 60 5.058 -10.241 7.703 1.00 0.00 C ATOM 866 CZ PHE A 60 5.089 -11.619 7.785 1.00 0.00 C ATOM 0 H PHE A 60 1.390 -10.685 2.647 1.00 0.00 H new ATOM 0 HA PHE A 60 1.453 -9.820 5.480 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.613 -10.234 3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 60 3.676 -8.693 4.320 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.540 -12.365 4.888 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.460 -8.551 6.545 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.567 -13.460 6.834 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.484 -9.642 8.495 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.540 -12.100 8.641 1.00 0.00 H new ATOM 876 N TRP A 61 0.825 -7.496 4.898 1.00 0.00 N ATOM 877 CA TRP A 61 0.309 -6.173 4.566 1.00 0.00 C ATOM 878 C TRP A 61 0.858 -5.121 5.524 1.00 0.00 C ATOM 879 O TRP A 61 0.493 -5.087 6.699 1.00 0.00 O ATOM 880 CB TRP A 61 -1.220 -6.172 4.611 1.00 0.00 C ATOM 881 CG TRP A 61 -1.845 -6.962 3.501 1.00 0.00 C ATOM 882 CD1 TRP A 61 -2.306 -8.245 3.567 1.00 0.00 C ATOM 883 CD2 TRP A 61 -2.076 -6.519 2.159 1.00 0.00 C ATOM 884 NE1 TRP A 61 -2.811 -8.628 2.347 1.00 0.00 N ATOM 885 CE2 TRP A 61 -2.681 -7.585 1.466 1.00 0.00 C ATOM 886 CE3 TRP A 61 -1.832 -5.325 1.476 1.00 0.00 C ATOM 887 CZ2 TRP A 61 -3.044 -7.492 0.125 1.00 0.00 C ATOM 888 CZ3 TRP A 61 -2.193 -5.232 0.145 1.00 0.00 C ATOM 889 CH2 TRP A 61 -2.793 -6.310 -0.518 1.00 0.00 C ATOM 0 H TRP A 61 0.818 -7.713 5.895 1.00 0.00 H new ATOM 0 HA TRP A 61 0.635 -5.926 3.556 1.00 0.00 H new ATOM 0 HB2 TRP A 61 -1.549 -6.579 5.567 1.00 0.00 H new ATOM 0 HB3 TRP A 61 -1.578 -5.143 4.562 1.00 0.00 H new ATOM 0 HD1 TRP A 61 -2.278 -8.868 4.449 1.00 0.00 H new ATOM 0 HE1 TRP A 61 -3.216 -9.539 2.132 1.00 0.00 H new ATOM 0 HE3 TRP A 61 -1.369 -4.489 1.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 61 -3.506 -8.322 -0.389 1.00 0.00 H new ATOM 0 HZ3 TRP A 61 -2.009 -4.313 -0.392 1.00 0.00 H new ATOM 0 HH2 TRP A 61 -3.063 -6.206 -1.558 1.00 0.00 H new ATOM 900 N ALA A 62 1.739 -4.267 5.015 1.00 0.00 N ATOM 901 CA ALA A 62 2.340 -3.216 5.827 1.00 0.00 C ATOM 902 C ALA A 62 1.527 -1.928 5.750 1.00 0.00 C ATOM 903 O ALA A 62 1.359 -1.351 4.676 1.00 0.00 O ATOM 904 CB ALA A 62 3.774 -2.963 5.385 1.00 0.00 C ATOM 0 H ALA A 62 2.053 -4.282 4.045 1.00 0.00 H new ATOM 0 HA ALA A 62 2.343 -3.551 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.211 -2.176 6.000 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.356 -3.877 5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.783 -2.654 4.340 1.00 0.00 H new ATOM 910 N GLY A 63 1.026 -1.482 6.898 1.00 0.00 N ATOM 911 CA GLY A 63 0.237 -0.265 6.938 1.00 0.00 C ATOM 912 C GLY A 63 1.086 0.964 7.197 1.00 0.00 C ATOM 913 O GLY A 63 1.219 1.407 8.337 1.00 0.00 O ATOM 0 H GLY A 63 1.152 -1.941 7.800 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.291 -0.146 5.992 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.520 -0.351 7.717 1.00 0.00 H new ATOM 917 N VAL A 64 1.662 1.515 6.135 1.00 0.00 N ATOM 918 CA VAL A 64 2.504 2.699 6.250 1.00 0.00 C ATOM 919 C VAL A 64 1.660 3.962 6.380 1.00 0.00 C ATOM 920 O VAL A 64 0.635 4.109 5.713 1.00 0.00 O ATOM 921 CB VAL A 64 3.440 2.845 5.036 1.00 0.00 C ATOM 922 CG1 VAL A 64 4.458 3.950 5.274 1.00 0.00 C ATOM 923 CG2 VAL A 64 4.135 1.525 4.736 1.00 0.00 C ATOM 0 H VAL A 64 1.561 1.160 5.184 1.00 0.00 H new ATOM 0 HA VAL A 64 3.106 2.572 7.150 1.00 0.00 H new ATOM 0 HB VAL A 64 2.839 3.119 4.169 1.00 0.00 H new ATOM 0 HG11 VAL A 64 5.110 4.037 4.405 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.939 4.895 5.435 1.00 0.00 H new ATOM 0 HG13 VAL A 64 5.056 3.711 6.153 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.792 1.647 3.875 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.723 1.219 5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.388 0.762 4.517 1.00 0.00 H new ATOM 933 N GLU A 65 2.099 4.874 7.241 1.00 0.00 N ATOM 934 CA GLU A 65 1.385 6.126 7.459 1.00 0.00 C ATOM 935 C GLU A 65 2.051 7.271 6.702 1.00 0.00 C ATOM 936 O GLU A 65 3.055 7.823 7.151 1.00 0.00 O ATOM 937 CB GLU A 65 1.326 6.452 8.953 1.00 0.00 C ATOM 938 CG GLU A 65 0.448 7.648 9.279 1.00 0.00 C ATOM 939 CD GLU A 65 0.819 8.303 10.596 1.00 0.00 C ATOM 940 OE1 GLU A 65 2.030 8.437 10.871 1.00 0.00 O ATOM 941 OE2 GLU A 65 -0.100 8.680 11.352 1.00 0.00 O ATOM 0 H GLU A 65 2.946 4.769 7.799 1.00 0.00 H new ATOM 0 HA GLU A 65 0.370 6.006 7.081 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.954 5.581 9.492 1.00 0.00 H new ATOM 0 HB3 GLU A 65 2.336 6.644 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.528 8.382 8.477 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -0.594 7.330 9.317 1.00 0.00 H new ATOM 948 N LEU A 66 1.486 7.620 5.552 1.00 0.00 N ATOM 949 CA LEU A 66 2.025 8.698 4.731 1.00 0.00 C ATOM 950 C LEU A 66 2.029 10.016 5.498 1.00 0.00 C ATOM 951 O LEU A 66 1.318 10.170 6.492 1.00 0.00 O ATOM 952 CB LEU A 66 1.210 8.844 3.445 1.00 0.00 C ATOM 953 CG LEU A 66 1.019 7.551 2.650 1.00 0.00 C ATOM 954 CD1 LEU A 66 0.114 7.791 1.452 1.00 0.00 C ATOM 955 CD2 LEU A 66 2.362 6.997 2.203 1.00 0.00 C ATOM 0 H LEU A 66 0.655 7.172 5.167 1.00 0.00 H new ATOM 0 HA LEU A 66 3.054 8.446 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.229 9.245 3.698 1.00 0.00 H new ATOM 0 HB3 LEU A 66 1.699 9.578 2.804 1.00 0.00 H new ATOM 0 HG LEU A 66 0.543 6.815 3.298 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.011 6.861 0.898 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.859 8.142 1.796 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.562 8.543 0.802 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.207 6.077 1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.866 7.729 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.978 6.787 3.077 1.00 0.00 H new ATOM 967 N ASP A 67 2.836 10.964 5.032 1.00 0.00 N ATOM 968 CA ASP A 67 2.934 12.270 5.675 1.00 0.00 C ATOM 969 C ASP A 67 2.075 13.300 4.950 1.00 0.00 C ATOM 970 O ASP A 67 2.407 14.486 4.915 1.00 0.00 O ATOM 971 CB ASP A 67 4.391 12.736 5.709 1.00 0.00 C ATOM 972 CG ASP A 67 5.204 12.013 6.764 1.00 0.00 C ATOM 973 OD1 ASP A 67 4.974 12.264 7.966 1.00 0.00 O ATOM 974 OD2 ASP A 67 6.072 11.196 6.389 1.00 0.00 O ATOM 0 H ASP A 67 3.432 10.852 4.211 1.00 0.00 H new ATOM 0 HA ASP A 67 2.566 12.173 6.697 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.844 12.574 4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.422 13.808 5.902 1.00 0.00 H new ATOM 979 N LYS A 68 0.970 12.842 4.372 1.00 0.00 N ATOM 980 CA LYS A 68 0.063 13.725 3.648 1.00 0.00 C ATOM 981 C LYS A 68 -1.165 12.959 3.156 1.00 0.00 C ATOM 982 O LYS A 68 -1.115 11.743 2.978 1.00 0.00 O ATOM 983 CB LYS A 68 0.785 14.373 2.465 1.00 0.00 C ATOM 984 CG LYS A 68 1.205 15.811 2.722 1.00 0.00 C ATOM 985 CD LYS A 68 1.176 16.637 1.446 1.00 0.00 C ATOM 986 CE LYS A 68 1.489 18.098 1.722 1.00 0.00 C ATOM 987 NZ LYS A 68 0.686 19.011 0.862 1.00 0.00 N ATOM 0 H LYS A 68 0.681 11.864 4.391 1.00 0.00 H new ATOM 0 HA LYS A 68 -0.269 14.506 4.332 1.00 0.00 H new ATOM 0 HB2 LYS A 68 1.669 13.783 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 68 0.133 14.344 1.592 1.00 0.00 H new ATOM 0 HG2 LYS A 68 0.541 16.258 3.461 1.00 0.00 H new ATOM 0 HG3 LYS A 68 2.210 15.828 3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 68 1.899 16.237 0.736 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.194 16.556 0.981 1.00 0.00 H new ATOM 0 HE2 LYS A 68 1.291 18.320 2.771 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.550 18.280 1.553 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 0.929 19.998 1.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.894 18.817 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -0.327 18.856 1.042 1.00 0.00 H new ATOM 1001 N PRO A 69 -2.287 13.665 2.931 1.00 0.00 N ATOM 1002 CA PRO A 69 -3.532 13.046 2.457 1.00 0.00 C ATOM 1003 C PRO A 69 -3.373 12.411 1.078 1.00 0.00 C ATOM 1004 O PRO A 69 -3.838 12.954 0.075 1.00 0.00 O ATOM 1005 CB PRO A 69 -4.526 14.215 2.398 1.00 0.00 C ATOM 1006 CG PRO A 69 -3.922 15.287 3.239 1.00 0.00 C ATOM 1007 CD PRO A 69 -2.436 15.117 3.120 1.00 0.00 C ATOM 0 HA PRO A 69 -3.854 12.236 3.111 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -4.673 14.555 1.373 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -5.504 13.920 2.779 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -4.231 16.274 2.894 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -4.243 15.197 4.277 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -2.031 15.678 2.278 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -1.917 15.464 4.013 1.00 0.00 H new ATOM 1015 N GLU A 70 -2.712 11.260 1.035 1.00 0.00 N ATOM 1016 CA GLU A 70 -2.491 10.553 -0.223 1.00 0.00 C ATOM 1017 C GLU A 70 -3.063 9.140 -0.163 1.00 0.00 C ATOM 1018 O GLU A 70 -3.613 8.641 -1.146 1.00 0.00 O ATOM 1019 CB GLU A 70 -0.995 10.497 -0.542 1.00 0.00 C ATOM 1020 CG GLU A 70 -0.412 11.837 -0.956 1.00 0.00 C ATOM 1021 CD GLU A 70 -1.109 12.429 -2.166 1.00 0.00 C ATOM 1022 OE1 GLU A 70 -0.674 12.141 -3.301 1.00 0.00 O ATOM 1023 OE2 GLU A 70 -2.089 13.179 -1.979 1.00 0.00 O ATOM 0 H GLU A 70 -2.320 10.796 1.855 1.00 0.00 H new ATOM 0 HA GLU A 70 -3.006 11.099 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.459 10.132 0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.829 9.775 -1.342 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -0.486 12.534 -0.122 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.649 11.715 -1.176 1.00 0.00 H new ATOM 1030 N GLY A 71 -2.931 8.499 0.994 1.00 0.00 N ATOM 1031 CA GLY A 71 -3.441 7.149 1.157 1.00 0.00 C ATOM 1032 C GLY A 71 -4.947 7.074 0.994 1.00 0.00 C ATOM 1033 O GLY A 71 -5.577 8.028 0.538 1.00 0.00 O ATOM 0 H GLY A 71 -2.480 8.890 1.821 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -2.967 6.494 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.167 6.777 2.144 1.00 0.00 H new ATOM 1037 N ASN A 72 -5.525 5.937 1.366 1.00 0.00 N ATOM 1038 CA ASN A 72 -6.965 5.741 1.257 1.00 0.00 C ATOM 1039 C ASN A 72 -7.497 4.936 2.438 1.00 0.00 C ATOM 1040 O ASN A 72 -8.463 4.183 2.305 1.00 0.00 O ATOM 1041 CB ASN A 72 -7.308 5.031 -0.054 1.00 0.00 C ATOM 1042 CG ASN A 72 -6.647 5.683 -1.253 1.00 0.00 C ATOM 1043 OD1 ASN A 72 -5.358 5.422 -1.432 1.00 0.00 O flip ATOM 1044 ND2 ASN A 72 -7.288 6.411 -2.010 1.00 0.00 N flip ATOM 0 H ASN A 72 -5.018 5.137 1.746 1.00 0.00 H new ATOM 0 HA ASN A 72 -7.440 6.722 1.266 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.996 3.989 0.008 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.389 5.032 -0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -8.278 6.584 -1.834 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -6.830 6.841 -2.813 1.00 0.00 H new ATOM 1051 N ASN A 73 -6.863 5.097 3.595 1.00 0.00 N ATOM 1052 CA ASN A 73 -7.273 4.385 4.798 1.00 0.00 C ATOM 1053 C ASN A 73 -6.823 5.127 6.052 1.00 0.00 C ATOM 1054 O ASN A 73 -5.892 5.930 6.008 1.00 0.00 O ATOM 1055 CB ASN A 73 -6.701 2.966 4.797 1.00 0.00 C ATOM 1056 CG ASN A 73 -7.461 2.036 3.873 1.00 0.00 C ATOM 1057 OD1 ASN A 73 -8.529 1.532 4.221 1.00 0.00 O ATOM 1058 ND2 ASN A 73 -6.913 1.803 2.686 1.00 0.00 N ATOM 0 H ASN A 73 -6.062 5.715 3.724 1.00 0.00 H new ATOM 0 HA ASN A 73 -8.362 4.330 4.803 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.655 2.999 4.494 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -6.726 2.567 5.811 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.379 1.185 2.022 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -6.026 2.242 2.439 1.00 0.00 H new ATOM 1065 N ASN A 74 -7.490 4.854 7.169 1.00 0.00 N ATOM 1066 CA ASN A 74 -7.159 5.497 8.435 1.00 0.00 C ATOM 1067 C ASN A 74 -6.630 4.480 9.443 1.00 0.00 C ATOM 1068 O ASN A 74 -6.767 4.663 10.652 1.00 0.00 O ATOM 1069 CB ASN A 74 -8.387 6.206 9.008 1.00 0.00 C ATOM 1070 CG ASN A 74 -9.559 5.265 9.205 1.00 0.00 C ATOM 1071 OD1 ASN A 74 -9.588 4.483 10.156 1.00 0.00 O ATOM 1072 ND2 ASN A 74 -10.533 5.334 8.304 1.00 0.00 N ATOM 0 H ASN A 74 -8.263 4.191 7.223 1.00 0.00 H new ATOM 0 HA ASN A 74 -6.378 6.233 8.244 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -8.127 6.662 9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.682 7.014 8.338 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -11.346 4.724 8.385 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -10.467 5.997 7.532 1.00 0.00 H new ATOM 1079 N GLY A 75 -6.026 3.409 8.937 1.00 0.00 N ATOM 1080 CA GLY A 75 -5.486 2.382 9.810 1.00 0.00 C ATOM 1081 C GLY A 75 -6.448 1.229 10.016 1.00 0.00 C ATOM 1082 O GLY A 75 -6.028 0.080 10.160 1.00 0.00 O ATOM 0 H GLY A 75 -5.901 3.234 7.940 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -4.555 2.003 9.387 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -5.241 2.823 10.776 1.00 0.00 H new ATOM 1086 N THR A 76 -7.741 1.533 10.031 1.00 0.00 N ATOM 1087 CA THR A 76 -8.765 0.511 10.223 1.00 0.00 C ATOM 1088 C THR A 76 -9.318 0.035 8.884 1.00 0.00 C ATOM 1089 O THR A 76 -10.083 0.742 8.229 1.00 0.00 O ATOM 1090 CB THR A 76 -9.900 1.053 11.093 1.00 0.00 C ATOM 1091 OG1 THR A 76 -9.390 1.876 12.127 1.00 0.00 O ATOM 1092 CG2 THR A 76 -10.731 -0.035 11.738 1.00 0.00 C ATOM 0 H THR A 76 -8.106 2.478 9.913 1.00 0.00 H new ATOM 0 HA THR A 76 -8.304 -0.338 10.727 1.00 0.00 H new ATOM 0 HB THR A 76 -10.538 1.621 10.416 1.00 0.00 H new ATOM 0 HG1 THR A 76 -9.312 2.798 11.803 1.00 0.00 H new ATOM 0 HG21 THR A 76 -11.518 0.418 12.341 1.00 0.00 H new ATOM 0 HG22 THR A 76 -11.180 -0.658 10.964 1.00 0.00 H new ATOM 0 HG23 THR A 76 -10.095 -0.650 12.374 1.00 0.00 H new ATOM 1100 N TYR A 77 -8.926 -1.170 8.483 1.00 0.00 N ATOM 1101 CA TYR A 77 -9.384 -1.743 7.222 1.00 0.00 C ATOM 1102 C TYR A 77 -10.575 -2.667 7.446 1.00 0.00 C ATOM 1103 O TYR A 77 -10.431 -3.762 7.990 1.00 0.00 O ATOM 1104 CB TYR A 77 -8.247 -2.511 6.544 1.00 0.00 C ATOM 1105 CG TYR A 77 -8.445 -2.695 5.056 1.00 0.00 C ATOM 1106 CD1 TYR A 77 -9.303 -3.672 4.565 1.00 0.00 C ATOM 1107 CD2 TYR A 77 -7.772 -1.893 4.142 1.00 0.00 C ATOM 1108 CE1 TYR A 77 -9.485 -3.843 3.206 1.00 0.00 C ATOM 1109 CE2 TYR A 77 -7.949 -2.058 2.782 1.00 0.00 C ATOM 1110 CZ TYR A 77 -8.806 -3.034 2.318 1.00 0.00 C ATOM 1111 OH TYR A 77 -8.985 -3.201 0.965 1.00 0.00 O ATOM 0 H TYR A 77 -8.292 -1.769 9.013 1.00 0.00 H new ATOM 0 HA TYR A 77 -9.699 -0.926 6.573 1.00 0.00 H new ATOM 0 HB2 TYR A 77 -7.310 -1.982 6.715 1.00 0.00 H new ATOM 0 HB3 TYR A 77 -8.150 -3.490 7.013 1.00 0.00 H new ATOM 0 HD1 TYR A 77 -9.836 -4.308 5.257 1.00 0.00 H new ATOM 0 HD2 TYR A 77 -7.099 -1.128 4.501 1.00 0.00 H new ATOM 0 HE1 TYR A 77 -10.156 -4.606 2.840 1.00 0.00 H new ATOM 0 HE2 TYR A 77 -7.419 -1.426 2.085 1.00 0.00 H new ATOM 0 HH TYR A 77 -8.435 -2.551 0.480 1.00 0.00 H new ATOM 1121 N ASP A 78 -11.753 -2.220 7.024 1.00 0.00 N ATOM 1122 CA ASP A 78 -12.972 -3.006 7.180 1.00 0.00 C ATOM 1123 C ASP A 78 -13.272 -3.262 8.652 1.00 0.00 C ATOM 1124 O ASP A 78 -13.848 -4.290 9.009 1.00 0.00 O ATOM 1125 CB ASP A 78 -12.845 -4.336 6.434 1.00 0.00 C ATOM 1126 CG ASP A 78 -14.151 -4.772 5.801 1.00 0.00 C ATOM 1127 OD1 ASP A 78 -15.217 -4.305 6.257 1.00 0.00 O ATOM 1128 OD2 ASP A 78 -14.110 -5.579 4.849 1.00 0.00 O ATOM 0 H ASP A 78 -11.890 -1.317 6.571 1.00 0.00 H new ATOM 0 HA ASP A 78 -13.798 -2.436 6.755 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.083 -4.244 5.660 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.505 -5.106 7.126 1.00 0.00 H new ATOM 1133 N GLY A 79 -12.878 -2.320 9.504 1.00 0.00 N ATOM 1134 CA GLY A 79 -13.115 -2.463 10.929 1.00 0.00 C ATOM 1135 C GLY A 79 -11.879 -2.914 11.682 1.00 0.00 C ATOM 1136 O GLY A 79 -11.719 -2.612 12.864 1.00 0.00 O ATOM 0 H GLY A 79 -12.399 -1.461 9.233 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -13.456 -1.510 11.334 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -13.917 -3.183 11.090 1.00 0.00 H new ATOM 1140 N ILE A 80 -11.002 -3.640 10.996 1.00 0.00 N ATOM 1141 CA ILE A 80 -9.774 -4.134 11.608 1.00 0.00 C ATOM 1142 C ILE A 80 -8.770 -3.006 11.816 1.00 0.00 C ATOM 1143 O ILE A 80 -8.130 -2.549 10.869 1.00 0.00 O ATOM 1144 CB ILE A 80 -9.122 -5.235 10.748 1.00 0.00 C ATOM 1145 CG1 ILE A 80 -10.160 -6.288 10.357 1.00 0.00 C ATOM 1146 CG2 ILE A 80 -7.964 -5.876 11.498 1.00 0.00 C ATOM 1147 CD1 ILE A 80 -10.791 -6.984 11.543 1.00 0.00 C ATOM 0 H ILE A 80 -11.119 -3.899 10.016 1.00 0.00 H new ATOM 0 HA ILE A 80 -10.049 -4.553 12.576 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.732 -4.782 9.837 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.943 -5.813 9.766 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.687 -7.034 9.718 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -7.514 -6.651 10.878 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -7.217 -5.117 11.730 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -8.331 -6.319 12.424 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -11.517 -7.717 11.191 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -10.018 -7.488 12.123 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -11.294 -6.249 12.171 1.00 0.00 H new ATOM 1159 N ALA A 81 -8.637 -2.561 13.061 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.710 -1.486 13.394 1.00 0.00 C ATOM 1161 C ALA A 81 -6.289 -2.015 13.552 1.00 0.00 C ATOM 1162 O ALA A 81 -6.023 -2.862 14.406 1.00 0.00 O ATOM 1163 CB ALA A 81 -8.156 -0.779 14.665 1.00 0.00 C ATOM 0 H ALA A 81 -9.160 -2.928 13.856 1.00 0.00 H new ATOM 0 HA ALA A 81 -7.714 -0.770 12.572 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -7.455 0.021 14.902 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -9.150 -0.358 14.517 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -8.183 -1.493 15.488 1.00 0.00 H new ATOM 1169 N TYR A 82 -5.381 -1.512 12.723 1.00 0.00 N ATOM 1170 CA TYR A 82 -3.986 -1.934 12.770 1.00 0.00 C ATOM 1171 C TYR A 82 -3.104 -0.835 13.355 1.00 0.00 C ATOM 1172 O TYR A 82 -2.185 -1.108 14.127 1.00 0.00 O ATOM 1173 CB TYR A 82 -3.497 -2.305 11.369 1.00 0.00 C ATOM 1174 CG TYR A 82 -4.142 -3.555 10.814 1.00 0.00 C ATOM 1175 CD1 TYR A 82 -3.878 -4.800 11.371 1.00 0.00 C ATOM 1176 CD2 TYR A 82 -5.013 -3.490 9.735 1.00 0.00 C ATOM 1177 CE1 TYR A 82 -4.465 -5.945 10.868 1.00 0.00 C ATOM 1178 CE2 TYR A 82 -5.606 -4.631 9.228 1.00 0.00 C ATOM 1179 CZ TYR A 82 -5.329 -5.856 9.797 1.00 0.00 C ATOM 1180 OH TYR A 82 -5.916 -6.994 9.294 1.00 0.00 O ATOM 0 H TYR A 82 -5.586 -0.812 12.010 1.00 0.00 H new ATOM 0 HA TYR A 82 -3.919 -2.810 13.415 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -3.694 -1.473 10.692 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -2.416 -2.445 11.396 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -3.203 -4.874 12.211 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -5.231 -2.533 9.285 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.248 -6.906 11.312 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -6.283 -4.563 8.390 1.00 0.00 H new ATOM 0 HH TYR A 82 -6.472 -6.761 8.522 1.00 0.00 H new ATOM 1190 N PHE A 83 -3.391 0.407 12.981 1.00 0.00 N ATOM 1191 CA PHE A 83 -2.624 1.548 13.469 1.00 0.00 C ATOM 1192 C PHE A 83 -3.479 2.811 13.484 1.00 0.00 C ATOM 1193 O PHE A 83 -4.584 2.832 12.941 1.00 0.00 O ATOM 1194 CB PHE A 83 -1.387 1.769 12.597 1.00 0.00 C ATOM 1195 CG PHE A 83 -1.696 1.869 11.131 1.00 0.00 C ATOM 1196 CD1 PHE A 83 -2.076 0.748 10.411 1.00 0.00 C ATOM 1197 CD2 PHE A 83 -1.607 3.086 10.473 1.00 0.00 C ATOM 1198 CE1 PHE A 83 -2.363 0.839 9.062 1.00 0.00 C ATOM 1199 CE2 PHE A 83 -1.892 3.182 9.124 1.00 0.00 C ATOM 1200 CZ PHE A 83 -2.270 2.057 8.418 1.00 0.00 C ATOM 0 H PHE A 83 -4.148 0.650 12.342 1.00 0.00 H new ATOM 0 HA PHE A 83 -2.308 1.331 14.489 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -0.885 2.682 12.917 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -0.688 0.948 12.757 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.149 -0.207 10.909 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -1.312 3.969 11.021 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.660 -0.042 8.512 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.819 4.136 8.623 1.00 0.00 H new ATOM 0 HZ PHE A 83 -2.493 2.130 7.364 1.00 0.00 H new ATOM 1210 N GLU A 84 -2.961 3.862 14.110 1.00 0.00 N ATOM 1211 CA GLU A 84 -3.676 5.130 14.196 1.00 0.00 C ATOM 1212 C GLU A 84 -3.088 6.154 13.231 1.00 0.00 C ATOM 1213 O GLU A 84 -1.869 6.286 13.116 1.00 0.00 O ATOM 1214 CB GLU A 84 -3.624 5.672 15.626 1.00 0.00 C ATOM 1215 CG GLU A 84 -4.617 6.792 15.889 1.00 0.00 C ATOM 1216 CD GLU A 84 -4.549 7.306 17.314 1.00 0.00 C ATOM 1217 OE1 GLU A 84 -5.160 6.676 18.202 1.00 0.00 O ATOM 1218 OE2 GLU A 84 -3.888 8.341 17.540 1.00 0.00 O ATOM 0 H GLU A 84 -2.048 3.861 14.565 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.715 4.952 13.919 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -3.817 4.856 16.322 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -2.617 6.035 15.832 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -4.423 7.614 15.200 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.626 6.435 15.683 1.00 0.00 H new ATOM 1225 N CYS A 85 -3.962 6.876 12.538 1.00 0.00 N ATOM 1226 CA CYS A 85 -3.530 7.889 11.582 1.00 0.00 C ATOM 1227 C CYS A 85 -4.711 8.728 11.107 1.00 0.00 C ATOM 1228 O CYS A 85 -5.832 8.573 11.593 1.00 0.00 O ATOM 1229 CB CYS A 85 -2.843 7.229 10.385 1.00 0.00 C ATOM 1230 SG CYS A 85 -3.924 6.154 9.413 1.00 0.00 S ATOM 0 H CYS A 85 -4.974 6.778 12.620 1.00 0.00 H new ATOM 0 HA CYS A 85 -2.820 8.547 12.083 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -2.443 8.007 9.735 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -1.995 6.645 10.743 1.00 0.00 H new ATOM 0 HG CYS A 85 -3.342 5.006 9.228 1.00 0.00 H new ATOM 1236 N LYS A 86 -4.453 9.618 10.154 1.00 0.00 N ATOM 1237 CA LYS A 86 -5.496 10.481 9.611 1.00 0.00 C ATOM 1238 C LYS A 86 -6.607 9.656 8.970 1.00 0.00 C ATOM 1239 O LYS A 86 -6.628 8.430 9.084 1.00 0.00 O ATOM 1240 CB LYS A 86 -4.901 11.450 8.585 1.00 0.00 C ATOM 1241 CG LYS A 86 -4.792 12.879 9.091 1.00 0.00 C ATOM 1242 CD LYS A 86 -3.415 13.160 9.671 1.00 0.00 C ATOM 1243 CE LYS A 86 -3.098 14.646 9.660 1.00 0.00 C ATOM 1244 NZ LYS A 86 -1.640 14.904 9.820 1.00 0.00 N ATOM 0 H LYS A 86 -3.531 9.760 9.742 1.00 0.00 H new ATOM 0 HA LYS A 86 -5.926 11.053 10.433 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.910 11.098 8.297 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -5.517 11.438 7.686 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -4.992 13.572 8.274 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -5.552 13.056 9.852 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.366 12.784 10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.661 12.622 9.097 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -3.444 15.084 8.724 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -3.644 15.140 10.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.465 15.929 9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -1.315 14.509 10.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.120 14.455 9.039 1.00 0.00 H new ATOM 1258 N GLU A 87 -7.527 10.336 8.293 1.00 0.00 N ATOM 1259 CA GLU A 87 -8.640 9.664 7.632 1.00 0.00 C ATOM 1260 C GLU A 87 -8.167 8.924 6.386 1.00 0.00 C ATOM 1261 O GLU A 87 -8.592 7.799 6.121 1.00 0.00 O ATOM 1262 CB GLU A 87 -9.725 10.679 7.259 1.00 0.00 C ATOM 1263 CG GLU A 87 -10.953 10.612 8.153 1.00 0.00 C ATOM 1264 CD GLU A 87 -11.135 11.862 8.993 1.00 0.00 C ATOM 1265 OE1 GLU A 87 -10.404 12.016 9.993 1.00 0.00 O ATOM 1266 OE2 GLU A 87 -12.007 12.687 8.648 1.00 0.00 O ATOM 0 H GLU A 87 -7.524 11.351 8.188 1.00 0.00 H new ATOM 0 HA GLU A 87 -9.057 8.935 8.327 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -9.304 11.683 7.308 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -10.028 10.511 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -11.839 10.462 7.536 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -10.872 9.746 8.810 1.00 0.00 H new ATOM 1273 N LYS A 88 -7.283 9.561 5.624 1.00 0.00 N ATOM 1274 CA LYS A 88 -6.752 8.962 4.406 1.00 0.00 C ATOM 1275 C LYS A 88 -5.240 9.149 4.320 1.00 0.00 C ATOM 1276 O LYS A 88 -4.729 9.741 3.367 1.00 0.00 O ATOM 1277 CB LYS A 88 -7.428 9.573 3.176 1.00 0.00 C ATOM 1278 CG LYS A 88 -8.901 9.218 3.052 1.00 0.00 C ATOM 1279 CD LYS A 88 -9.474 9.679 1.722 1.00 0.00 C ATOM 1280 CE LYS A 88 -9.658 11.188 1.687 1.00 0.00 C ATOM 1281 NZ LYS A 88 -8.389 11.898 1.364 1.00 0.00 N ATOM 0 H LYS A 88 -6.920 10.492 5.829 1.00 0.00 H new ATOM 0 HA LYS A 88 -6.964 7.893 4.434 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -7.326 10.657 3.217 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -6.905 9.238 2.280 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -9.026 8.140 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -9.457 9.678 3.868 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -8.810 9.374 0.913 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -10.433 9.190 1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -10.415 11.444 0.946 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -10.029 11.530 2.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -8.032 12.375 2.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -7.683 11.212 1.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -8.565 12.603 0.620 1.00 0.00 H new ATOM 1295 N HIS A 89 -4.529 8.641 5.321 1.00 0.00 N ATOM 1296 CA HIS A 89 -3.075 8.751 5.359 1.00 0.00 C ATOM 1297 C HIS A 89 -2.424 7.373 5.306 1.00 0.00 C ATOM 1298 O HIS A 89 -1.412 7.178 4.634 1.00 0.00 O ATOM 1299 CB HIS A 89 -2.631 9.492 6.622 1.00 0.00 C ATOM 1300 CG HIS A 89 -2.346 10.944 6.395 1.00 0.00 C ATOM 1301 ND1 HIS A 89 -1.208 11.582 6.836 1.00 0.00 N ATOM 1302 CD2 HIS A 89 -3.081 11.890 5.756 1.00 0.00 C ATOM 1303 CE1 HIS A 89 -1.285 12.866 6.462 1.00 0.00 C ATOM 1304 NE2 HIS A 89 -2.401 13.105 5.802 1.00 0.00 N ATOM 0 H HIS A 89 -4.936 8.149 6.117 1.00 0.00 H new ATOM 0 HA HIS A 89 -2.755 9.317 4.484 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -3.407 9.397 7.381 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -1.736 9.012 7.019 1.00 0.00 H new ATOM 0 HD1 HIS A 89 -0.442 11.153 7.355 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -4.040 11.727 5.287 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -0.531 13.609 6.674 1.00 0.00 H new ATOM 1312 N GLY A 90 -3.015 6.418 6.019 1.00 0.00 N ATOM 1313 CA GLY A 90 -2.481 5.070 6.039 1.00 0.00 C ATOM 1314 C GLY A 90 -2.809 4.297 4.776 1.00 0.00 C ATOM 1315 O GLY A 90 -3.917 4.397 4.250 1.00 0.00 O ATOM 0 H GLY A 90 -3.854 6.555 6.583 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -1.399 5.113 6.164 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.881 4.537 6.902 1.00 0.00 H new ATOM 1319 N ILE A 91 -1.843 3.526 4.288 1.00 0.00 N ATOM 1320 CA ILE A 91 -2.036 2.734 3.078 1.00 0.00 C ATOM 1321 C ILE A 91 -1.394 1.357 3.215 1.00 0.00 C ATOM 1322 O ILE A 91 -0.191 1.242 3.448 1.00 0.00 O ATOM 1323 CB ILE A 91 -1.451 3.449 1.841 1.00 0.00 C ATOM 1324 CG1 ILE A 91 -1.760 2.655 0.570 1.00 0.00 C ATOM 1325 CG2 ILE A 91 0.049 3.646 1.999 1.00 0.00 C ATOM 1326 CD1 ILE A 91 -1.792 3.507 -0.680 1.00 0.00 C ATOM 0 H ILE A 91 -0.920 3.433 4.711 1.00 0.00 H new ATOM 0 HA ILE A 91 -3.111 2.615 2.942 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.918 4.430 1.755 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.011 1.873 0.448 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -2.723 2.158 0.686 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.444 4.151 1.118 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.245 4.252 2.884 1.00 0.00 H new ATOM 0 HG23 ILE A 91 0.534 2.676 2.109 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.016 2.879 -1.542 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.561 4.273 -0.579 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -0.822 3.983 -0.821 1.00 0.00 H new ATOM 1338 N PHE A 92 -2.207 0.316 3.068 1.00 0.00 N ATOM 1339 CA PHE A 92 -1.718 -1.055 3.174 1.00 0.00 C ATOM 1340 C PHE A 92 -1.079 -1.508 1.866 1.00 0.00 C ATOM 1341 O PHE A 92 -1.719 -1.499 0.814 1.00 0.00 O ATOM 1342 CB PHE A 92 -2.862 -1.999 3.548 1.00 0.00 C ATOM 1343 CG PHE A 92 -3.519 -1.661 4.857 1.00 0.00 C ATOM 1344 CD1 PHE A 92 -4.578 -0.770 4.905 1.00 0.00 C ATOM 1345 CD2 PHE A 92 -3.075 -2.235 6.037 1.00 0.00 C ATOM 1346 CE1 PHE A 92 -5.184 -0.457 6.107 1.00 0.00 C ATOM 1347 CE2 PHE A 92 -3.676 -1.926 7.242 1.00 0.00 C ATOM 1348 CZ PHE A 92 -4.733 -1.036 7.278 1.00 0.00 C ATOM 0 H PHE A 92 -3.206 0.395 2.875 1.00 0.00 H new ATOM 0 HA PHE A 92 -0.960 -1.084 3.957 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -3.613 -1.977 2.758 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -2.479 -3.019 3.596 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -4.934 -0.315 3.993 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -2.250 -2.932 6.015 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -6.009 0.239 6.131 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -3.320 -2.380 8.155 1.00 0.00 H new ATOM 0 HZ PHE A 92 -5.205 -0.794 8.219 1.00 0.00 H new ATOM 1358 N ALA A 93 0.187 -1.905 1.937 1.00 0.00 N ATOM 1359 CA ALA A 93 0.912 -2.362 0.759 1.00 0.00 C ATOM 1360 C ALA A 93 1.715 -3.624 1.065 1.00 0.00 C ATOM 1361 O ALA A 93 2.207 -3.801 2.180 1.00 0.00 O ATOM 1362 CB ALA A 93 1.830 -1.264 0.246 1.00 0.00 C ATOM 0 H ALA A 93 0.732 -1.919 2.799 1.00 0.00 H new ATOM 0 HA ALA A 93 0.184 -2.603 -0.015 1.00 0.00 H new ATOM 0 HB1 ALA A 93 2.366 -1.619 -0.634 1.00 0.00 H new ATOM 0 HB2 ALA A 93 1.237 -0.388 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 93 2.546 -0.996 1.023 1.00 0.00 H new ATOM 1368 N PRO A 94 1.860 -4.524 0.076 1.00 0.00 N ATOM 1369 CA PRO A 94 2.609 -5.773 0.249 1.00 0.00 C ATOM 1370 C PRO A 94 4.022 -5.531 0.771 1.00 0.00 C ATOM 1371 O PRO A 94 4.541 -4.418 0.690 1.00 0.00 O ATOM 1372 CB PRO A 94 2.655 -6.362 -1.163 1.00 0.00 C ATOM 1373 CG PRO A 94 1.480 -5.772 -1.861 1.00 0.00 C ATOM 1374 CD PRO A 94 1.307 -4.394 -1.286 1.00 0.00 C ATOM 0 HA PRO A 94 2.141 -6.430 0.982 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.586 -6.104 -1.669 1.00 0.00 H new ATOM 0 HB3 PRO A 94 2.596 -7.450 -1.140 1.00 0.00 H new ATOM 0 HG2 PRO A 94 1.647 -5.728 -2.937 1.00 0.00 H new ATOM 0 HG3 PRO A 94 0.587 -6.377 -1.702 1.00 0.00 H new ATOM 0 HD2 PRO A 94 1.843 -3.645 -1.868 1.00 0.00 H new ATOM 0 HD3 PRO A 94 0.259 -4.094 -1.268 1.00 0.00 H new ATOM 1382 N PRO A 95 4.669 -6.577 1.316 1.00 0.00 N ATOM 1383 CA PRO A 95 6.031 -6.473 1.851 1.00 0.00 C ATOM 1384 C PRO A 95 7.049 -6.120 0.772 1.00 0.00 C ATOM 1385 O PRO A 95 8.056 -5.469 1.044 1.00 0.00 O ATOM 1386 CB PRO A 95 6.310 -7.872 2.412 1.00 0.00 C ATOM 1387 CG PRO A 95 5.351 -8.768 1.707 1.00 0.00 C ATOM 1388 CD PRO A 95 4.126 -7.940 1.452 1.00 0.00 C ATOM 0 HA PRO A 95 6.114 -5.681 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 95 7.341 -8.173 2.227 1.00 0.00 H new ATOM 0 HB3 PRO A 95 6.158 -7.902 3.491 1.00 0.00 H new ATOM 0 HG2 PRO A 95 5.775 -9.136 0.773 1.00 0.00 H new ATOM 0 HG3 PRO A 95 5.113 -9.641 2.315 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.604 -8.258 0.549 1.00 0.00 H new ATOM 0 HD3 PRO A 95 3.413 -8.010 2.274 1.00 0.00 H new ATOM 1396 N GLN A 96 6.777 -6.555 -0.454 1.00 0.00 N ATOM 1397 CA GLN A 96 7.668 -6.283 -1.577 1.00 0.00 C ATOM 1398 C GLN A 96 7.771 -4.785 -1.842 1.00 0.00 C ATOM 1399 O GLN A 96 8.781 -4.304 -2.355 1.00 0.00 O ATOM 1400 CB GLN A 96 7.174 -7.003 -2.833 1.00 0.00 C ATOM 1401 CG GLN A 96 5.711 -6.738 -3.151 1.00 0.00 C ATOM 1402 CD GLN A 96 5.308 -7.257 -4.517 1.00 0.00 C ATOM 1403 OE1 GLN A 96 5.408 -6.548 -5.517 1.00 0.00 O ATOM 1404 NE2 GLN A 96 4.849 -8.502 -4.565 1.00 0.00 N ATOM 0 H GLN A 96 5.947 -7.097 -0.695 1.00 0.00 H new ATOM 0 HA GLN A 96 8.659 -6.655 -1.319 1.00 0.00 H new ATOM 0 HB2 GLN A 96 7.783 -6.694 -3.682 1.00 0.00 H new ATOM 0 HB3 GLN A 96 7.322 -8.076 -2.708 1.00 0.00 H new ATOM 0 HG2 GLN A 96 5.087 -7.206 -2.390 1.00 0.00 H new ATOM 0 HG3 GLN A 96 5.521 -5.666 -3.103 1.00 0.00 H new ATOM 0 HE21 GLN A 96 4.783 -9.055 -3.710 1.00 0.00 H new ATOM 0 HE22 GLN A 96 4.562 -8.906 -5.457 1.00 0.00 H new ATOM 1413 N LYS A 97 6.719 -4.050 -1.490 1.00 0.00 N ATOM 1414 CA LYS A 97 6.693 -2.606 -1.690 1.00 0.00 C ATOM 1415 C LYS A 97 7.072 -1.869 -0.408 1.00 0.00 C ATOM 1416 O LYS A 97 6.618 -0.751 -0.168 1.00 0.00 O ATOM 1417 CB LYS A 97 5.305 -2.160 -2.156 1.00 0.00 C ATOM 1418 CG LYS A 97 4.847 -2.837 -3.438 1.00 0.00 C ATOM 1419 CD LYS A 97 4.469 -1.821 -4.505 1.00 0.00 C ATOM 1420 CE LYS A 97 3.282 -0.976 -4.074 1.00 0.00 C ATOM 1421 NZ LYS A 97 3.416 0.439 -4.519 1.00 0.00 N ATOM 0 H LYS A 97 5.874 -4.432 -1.065 1.00 0.00 H new ATOM 0 HA LYS A 97 7.425 -2.359 -2.459 1.00 0.00 H new ATOM 0 HB2 LYS A 97 4.582 -2.367 -1.367 1.00 0.00 H new ATOM 0 HB3 LYS A 97 5.311 -1.081 -2.307 1.00 0.00 H new ATOM 0 HG2 LYS A 97 5.642 -3.481 -3.814 1.00 0.00 H new ATOM 0 HG3 LYS A 97 3.991 -3.478 -3.226 1.00 0.00 H new ATOM 0 HD2 LYS A 97 5.322 -1.174 -4.711 1.00 0.00 H new ATOM 0 HD3 LYS A 97 4.230 -2.339 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 97 2.366 -1.400 -4.485 1.00 0.00 H new ATOM 0 HE3 LYS A 97 3.189 -1.008 -2.988 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 2.586 0.982 -4.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 4.276 0.853 -4.107 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 3.479 0.472 -5.557 1.00 0.00 H new ATOM 1435 N ILE A 98 7.907 -2.503 0.410 1.00 0.00 N ATOM 1436 CA ILE A 98 8.347 -1.906 1.665 1.00 0.00 C ATOM 1437 C ILE A 98 9.861 -1.725 1.686 1.00 0.00 C ATOM 1438 O ILE A 98 10.608 -2.683 1.890 1.00 0.00 O ATOM 1439 CB ILE A 98 7.928 -2.764 2.874 1.00 0.00 C ATOM 1440 CG1 ILE A 98 6.452 -3.152 2.766 1.00 0.00 C ATOM 1441 CG2 ILE A 98 8.191 -2.014 4.171 1.00 0.00 C ATOM 1442 CD1 ILE A 98 5.520 -1.963 2.677 1.00 0.00 C ATOM 0 H ILE A 98 8.292 -3.429 0.226 1.00 0.00 H new ATOM 0 HA ILE A 98 7.865 -0.931 1.737 1.00 0.00 H new ATOM 0 HB ILE A 98 8.524 -3.677 2.877 1.00 0.00 H new ATOM 0 HG12 ILE A 98 6.313 -3.779 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.178 -3.754 3.633 1.00 0.00 H new ATOM 0 HG21 ILE A 98 7.890 -2.633 5.016 1.00 0.00 H new ATOM 0 HG22 ILE A 98 9.254 -1.784 4.249 1.00 0.00 H new ATOM 0 HG23 ILE A 98 7.618 -1.087 4.178 1.00 0.00 H new ATOM 0 HD11 ILE A 98 4.490 -2.313 2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 98 5.631 -1.347 3.569 1.00 0.00 H new ATOM 0 HD13 ILE A 98 5.767 -1.372 1.795 1.00 0.00 H new ATOM 1454 N SER A 99 10.306 -0.491 1.475 1.00 0.00 N ATOM 1455 CA SER A 99 11.732 -0.184 1.471 1.00 0.00 C ATOM 1456 C SER A 99 12.055 0.913 2.480 1.00 0.00 C ATOM 1457 O SER A 99 11.156 1.501 3.080 1.00 0.00 O ATOM 1458 CB SER A 99 12.177 0.246 0.072 1.00 0.00 C ATOM 1459 OG SER A 99 11.203 1.072 -0.542 1.00 0.00 O ATOM 0 H SER A 99 9.701 0.312 1.305 1.00 0.00 H new ATOM 0 HA SER A 99 12.274 -1.086 1.757 1.00 0.00 H new ATOM 0 HB2 SER A 99 13.124 0.782 0.137 1.00 0.00 H new ATOM 0 HB3 SER A 99 12.351 -0.636 -0.545 1.00 0.00 H new ATOM 0 HG SER A 99 10.702 1.556 0.148 1.00 0.00 H new ATOM 1465 N HIS A 100 13.343 1.182 2.662 1.00 0.00 N ATOM 1466 CA HIS A 100 13.784 2.208 3.598 1.00 0.00 C ATOM 1467 C HIS A 100 14.072 3.518 2.872 1.00 0.00 C ATOM 1468 O HIS A 100 14.709 3.528 1.819 1.00 0.00 O ATOM 1469 CB HIS A 100 15.034 1.742 4.347 1.00 0.00 C ATOM 1470 CG HIS A 100 14.734 0.887 5.539 1.00 0.00 C ATOM 1471 ND1 HIS A 100 15.047 -0.451 5.622 1.00 0.00 N ATOM 1472 CD2 HIS A 100 14.138 1.206 6.716 1.00 0.00 C ATOM 1473 CE1 HIS A 100 14.639 -0.896 6.819 1.00 0.00 C ATOM 1474 NE2 HIS A 100 14.080 0.073 7.521 1.00 0.00 N ATOM 0 H HIS A 100 14.100 0.703 2.173 1.00 0.00 H new ATOM 0 HA HIS A 100 12.982 2.379 4.316 1.00 0.00 H new ATOM 0 HB2 HIS A 100 15.672 1.184 3.661 1.00 0.00 H new ATOM 0 HB3 HIS A 100 15.601 2.615 4.670 1.00 0.00 H new ATOM 0 HD2 HIS A 100 13.768 2.184 6.985 1.00 0.00 H new ATOM 0 HE1 HIS A 100 14.753 -1.913 7.164 1.00 0.00 H new ATOM 0 HE2 HIS A 100 13.687 0.005 8.460 1.00 0.00 H new ATOM 1482 N ILE A 101 13.598 4.622 3.441 1.00 0.00 N ATOM 1483 CA ILE A 101 13.806 5.936 2.845 1.00 0.00 C ATOM 1484 C ILE A 101 15.283 6.326 2.880 1.00 0.00 C ATOM 1485 O ILE A 101 15.895 6.362 3.948 1.00 0.00 O ATOM 1486 CB ILE A 101 12.982 7.019 3.570 1.00 0.00 C ATOM 1487 CG1 ILE A 101 11.516 6.593 3.672 1.00 0.00 C ATOM 1488 CG2 ILE A 101 13.102 8.352 2.845 1.00 0.00 C ATOM 1489 CD1 ILE A 101 10.647 7.587 4.411 1.00 0.00 C ATOM 0 H ILE A 101 13.068 4.632 4.313 1.00 0.00 H new ATOM 0 HA ILE A 101 13.473 5.871 1.809 1.00 0.00 H new ATOM 0 HB ILE A 101 13.377 7.139 4.579 1.00 0.00 H new ATOM 0 HG12 ILE A 101 11.117 6.450 2.668 1.00 0.00 H new ATOM 0 HG13 ILE A 101 11.461 5.629 4.177 1.00 0.00 H new ATOM 0 HG21 ILE A 101 12.515 9.106 3.369 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.147 8.660 2.820 1.00 0.00 H new ATOM 0 HG23 ILE A 101 12.730 8.247 1.826 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.621 7.219 4.444 1.00 0.00 H new ATOM 0 HD12 ILE A 101 11.021 7.712 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 101 10.672 8.547 3.894 1.00 0.00 H new ATOM 1501 N PRO A 102 15.880 6.622 1.711 1.00 0.00 N ATOM 1502 CA PRO A 102 17.293 7.006 1.624 1.00 0.00 C ATOM 1503 C PRO A 102 17.637 8.160 2.559 1.00 0.00 C ATOM 1504 O PRO A 102 16.766 8.939 2.947 1.00 0.00 O ATOM 1505 CB PRO A 102 17.460 7.434 0.164 1.00 0.00 C ATOM 1506 CG PRO A 102 16.387 6.708 -0.569 1.00 0.00 C ATOM 1507 CD PRO A 102 15.231 6.604 0.385 1.00 0.00 C ATOM 0 HA PRO A 102 17.954 6.191 1.920 1.00 0.00 H new ATOM 0 HB2 PRO A 102 17.354 8.513 0.053 1.00 0.00 H new ATOM 0 HB3 PRO A 102 18.447 7.170 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 102 16.100 7.245 -1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 102 16.727 5.720 -0.880 1.00 0.00 H new ATOM 0 HD2 PRO A 102 14.536 7.435 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.662 5.688 0.228 1.00 0.00 H new