USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 530 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 62 GLN : amide:sc= 0 X(o=-0.58,f=-0.58) USER MOD Set 1.2: A 64 THR OG1 : rot 180:sc= -0.576 USER MOD Set 2.1: A 45 TYR OH : rot 180:sc= 0.17 USER MOD Set 2.2: A 56 TYR OH : rot -73:sc= 1.28 USER MOD Single : A 31 GLN : amide:sc= -0.196 X(o=-0.2,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.222 X(o=-0.22,f=-0.053) USER MOD Single : A 38 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00503) USER MOD Single : A 39 GLN : amide:sc=-0.00013 X(o=-0.00013,f=-0.00013) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 103:sc= -0.299 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -1 K(o=-1,f=-3.7) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 71:sc= 0.773 USER MOD Single : A 78 THR OG1 : rot 49:sc= 0.16 USER MOD Single : A 79 CYS SG : rot 90:sc= -1.47 USER MOD Single : A 83 HIS : no HE2:sc= -6.05! C(o=-6.1!,f=-6.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0677 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 8.013 -2.927 0.769 1.00 0.00 N ATOM 331 CA ALA A 26 7.542 -1.816 1.587 1.00 0.00 C ATOM 332 C ALA A 26 6.694 -2.314 2.752 1.00 0.00 C ATOM 333 O ALA A 26 6.377 -3.500 2.841 1.00 0.00 O ATOM 334 CB ALA A 26 6.750 -0.835 0.736 1.00 0.00 C ATOM 0 HA ALA A 26 8.412 -1.304 1.998 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.404 -0.010 1.359 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.386 -0.447 -0.059 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.891 -1.344 0.298 1.00 0.00 H new ATOM 340 N GLU A 27 6.329 -1.399 3.645 1.00 0.00 N ATOM 341 CA GLU A 27 5.517 -1.744 4.806 1.00 0.00 C ATOM 342 C GLU A 27 4.380 -0.746 4.992 1.00 0.00 C ATOM 343 O GLU A 27 4.222 0.185 4.202 1.00 0.00 O ATOM 344 CB GLU A 27 6.384 -1.787 6.066 1.00 0.00 C ATOM 345 CG GLU A 27 7.697 -2.531 5.877 1.00 0.00 C ATOM 346 CD GLU A 27 8.776 -1.661 5.261 1.00 0.00 C ATOM 347 OE1 GLU A 27 8.878 -0.479 5.649 1.00 0.00 O ATOM 348 OE2 GLU A 27 9.519 -2.163 4.392 1.00 0.00 O ATOM 0 H GLU A 27 6.583 -0.413 3.586 1.00 0.00 H new ATOM 0 HA GLU A 27 5.086 -2.730 4.635 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.597 -0.767 6.385 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.820 -2.261 6.869 1.00 0.00 H new ATOM 0 HG2 GLU A 27 8.042 -2.903 6.842 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.530 -3.401 5.242 1.00 0.00 H new ATOM 355 N VAL A 28 3.589 -0.947 6.041 1.00 0.00 N ATOM 356 CA VAL A 28 2.465 -0.064 6.331 1.00 0.00 C ATOM 357 C VAL A 28 2.947 1.275 6.877 1.00 0.00 C ATOM 358 O VAL A 28 3.255 1.398 8.063 1.00 0.00 O ATOM 359 CB VAL A 28 1.495 -0.702 7.344 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.250 0.158 7.509 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.121 -2.113 6.914 1.00 0.00 C ATOM 0 H VAL A 28 3.706 -1.713 6.704 1.00 0.00 H new ATOM 0 HA VAL A 28 1.938 0.098 5.391 1.00 0.00 H new ATOM 0 HB VAL A 28 1.999 -0.762 8.309 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.422 -0.310 8.228 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.536 1.147 7.869 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.256 0.254 6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.436 -2.546 7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.639 -2.080 5.937 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.021 -2.726 6.854 1.00 0.00 H new ATOM 371 N GLY A 29 3.010 2.276 6.006 1.00 0.00 N ATOM 372 CA GLY A 29 3.454 3.594 6.420 1.00 0.00 C ATOM 373 C GLY A 29 4.716 4.032 5.702 1.00 0.00 C ATOM 374 O GLY A 29 5.601 4.640 6.304 1.00 0.00 O ATOM 0 H GLY A 29 2.761 2.198 5.020 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.661 4.318 6.230 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.633 3.593 7.495 1.00 0.00 H new ATOM 378 N ASP A 30 4.798 3.725 4.412 1.00 0.00 N ATOM 379 CA ASP A 30 5.960 4.090 3.611 1.00 0.00 C ATOM 380 C ASP A 30 5.553 4.410 2.176 1.00 0.00 C ATOM 381 O ASP A 30 4.730 3.714 1.584 1.00 0.00 O ATOM 382 CB ASP A 30 6.989 2.959 3.622 1.00 0.00 C ATOM 383 CG ASP A 30 8.343 3.403 3.105 1.00 0.00 C ATOM 384 OD1 ASP A 30 9.006 4.210 3.791 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.741 2.945 2.012 1.00 0.00 O ATOM 0 H ASP A 30 4.073 3.224 3.899 1.00 0.00 H new ATOM 0 HA ASP A 30 6.407 4.982 4.050 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.098 2.581 4.638 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.623 2.133 3.012 1.00 0.00 H new ATOM 390 N GLN A 31 6.136 5.469 1.625 1.00 0.00 N ATOM 391 CA GLN A 31 5.836 5.882 0.259 1.00 0.00 C ATOM 392 C GLN A 31 6.177 4.775 -0.733 1.00 0.00 C ATOM 393 O GLN A 31 7.220 4.129 -0.623 1.00 0.00 O ATOM 394 CB GLN A 31 6.609 7.155 -0.094 1.00 0.00 C ATOM 395 CG GLN A 31 6.032 8.411 0.538 1.00 0.00 C ATOM 396 CD GLN A 31 6.837 8.885 1.733 1.00 0.00 C ATOM 397 OE1 GLN A 31 7.697 9.759 1.609 1.00 0.00 O ATOM 398 NE2 GLN A 31 6.563 8.310 2.897 1.00 0.00 N ATOM 0 H GLN A 31 6.819 6.057 2.103 1.00 0.00 H new ATOM 0 HA GLN A 31 4.767 6.085 0.195 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.645 7.041 0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.620 7.275 -1.177 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.995 9.205 -0.208 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.005 8.218 0.850 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.842 7.590 2.953 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.073 8.588 3.736 1.00 0.00 H new ATOM 407 N VAL A 32 5.292 4.561 -1.702 1.00 0.00 N ATOM 408 CA VAL A 32 5.500 3.531 -2.712 1.00 0.00 C ATOM 409 C VAL A 32 5.035 4.006 -4.085 1.00 0.00 C ATOM 410 O VAL A 32 4.419 5.063 -4.211 1.00 0.00 O ATOM 411 CB VAL A 32 4.756 2.232 -2.352 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.468 1.503 -1.222 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.312 2.530 -1.979 1.00 0.00 C ATOM 0 H VAL A 32 4.425 5.087 -1.808 1.00 0.00 H new ATOM 0 HA VAL A 32 6.571 3.330 -2.743 1.00 0.00 H new ATOM 0 HB VAL A 32 4.754 1.582 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.927 0.588 -0.982 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.483 1.254 -1.532 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.505 2.144 -0.341 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.802 1.600 -1.728 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.289 3.200 -1.120 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.809 3.004 -2.822 1.00 0.00 H new ATOM 423 N LEU A 33 5.334 3.215 -5.110 1.00 0.00 N ATOM 424 CA LEU A 33 4.946 3.553 -6.475 1.00 0.00 C ATOM 425 C LEU A 33 4.399 2.330 -7.203 1.00 0.00 C ATOM 426 O LEU A 33 5.138 1.391 -7.501 1.00 0.00 O ATOM 427 CB LEU A 33 6.142 4.125 -7.239 1.00 0.00 C ATOM 428 CG LEU A 33 5.822 4.667 -8.633 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.749 5.742 -8.555 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.080 5.212 -9.292 1.00 0.00 C ATOM 0 H LEU A 33 5.844 2.336 -5.022 1.00 0.00 H new ATOM 0 HA LEU A 33 4.160 4.306 -6.428 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.582 4.927 -6.646 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.899 3.346 -7.334 1.00 0.00 H new ATOM 0 HG LEU A 33 5.441 3.848 -9.243 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.535 6.116 -9.556 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.842 5.320 -8.123 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.101 6.562 -7.929 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.835 5.594 -10.283 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.489 6.018 -8.683 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.818 4.415 -9.382 1.00 0.00 H new ATOM 442 N VAL A 34 3.101 2.347 -7.486 1.00 0.00 N ATOM 443 CA VAL A 34 2.454 1.239 -8.179 1.00 0.00 C ATOM 444 C VAL A 34 2.718 1.296 -9.679 1.00 0.00 C ATOM 445 O VAL A 34 2.458 2.309 -10.327 1.00 0.00 O ATOM 446 CB VAL A 34 0.933 1.235 -7.937 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.305 -0.031 -8.498 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.628 1.380 -6.454 1.00 0.00 C ATOM 0 H VAL A 34 2.476 3.116 -7.246 1.00 0.00 H new ATOM 0 HA VAL A 34 2.882 0.322 -7.773 1.00 0.00 H new ATOM 0 HB VAL A 34 0.499 2.088 -8.458 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.770 -0.015 -8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.492 -0.085 -9.571 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.742 -0.902 -8.009 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.451 1.375 -6.302 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.075 0.549 -5.908 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.042 2.320 -6.088 1.00 0.00 H new ATOM 458 N ALA A 35 3.236 0.200 -10.226 1.00 0.00 N ATOM 459 CA ALA A 35 3.536 0.122 -11.651 1.00 0.00 C ATOM 460 C ALA A 35 4.484 1.238 -12.081 1.00 0.00 C ATOM 461 O ALA A 35 4.499 1.637 -13.246 1.00 0.00 O ATOM 462 CB ALA A 35 2.250 0.181 -12.463 1.00 0.00 C ATOM 0 H ALA A 35 3.457 -0.647 -9.703 1.00 0.00 H new ATOM 0 HA ALA A 35 4.033 -0.830 -11.838 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.487 0.122 -13.525 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.607 -0.655 -12.188 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.733 1.119 -12.258 1.00 0.00 H new ATOM 468 N GLY A 36 5.276 1.737 -11.136 1.00 0.00 N ATOM 469 CA GLY A 36 6.216 2.800 -11.441 1.00 0.00 C ATOM 470 C GLY A 36 5.538 4.030 -12.013 1.00 0.00 C ATOM 471 O GLY A 36 6.121 4.745 -12.827 1.00 0.00 O ATOM 0 H GLY A 36 5.283 1.424 -10.165 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.755 3.075 -10.534 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.956 2.433 -12.153 1.00 0.00 H new ATOM 475 N GLN A 37 4.303 4.277 -11.587 1.00 0.00 N ATOM 476 CA GLN A 37 3.547 5.429 -12.064 1.00 0.00 C ATOM 477 C GLN A 37 2.702 6.030 -10.945 1.00 0.00 C ATOM 478 O GLN A 37 3.026 7.090 -10.410 1.00 0.00 O ATOM 479 CB GLN A 37 2.651 5.027 -13.236 1.00 0.00 C ATOM 480 CG GLN A 37 3.421 4.652 -14.491 1.00 0.00 C ATOM 481 CD GLN A 37 2.643 3.717 -15.396 1.00 0.00 C ATOM 482 OE1 GLN A 37 2.459 3.994 -16.581 1.00 0.00 O ATOM 483 NE2 GLN A 37 2.181 2.604 -14.840 1.00 0.00 N ATOM 0 H GLN A 37 3.805 3.695 -10.913 1.00 0.00 H new ATOM 0 HA GLN A 37 4.258 6.183 -12.401 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.030 4.183 -12.935 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.977 5.852 -13.467 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.674 5.558 -15.042 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.361 4.179 -14.208 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.358 2.415 -13.853 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.649 1.937 -15.399 1.00 0.00 H new ATOM 492 N LYS A 38 1.616 5.346 -10.597 1.00 0.00 N ATOM 493 CA LYS A 38 0.723 5.814 -9.543 1.00 0.00 C ATOM 494 C LYS A 38 1.442 5.854 -8.199 1.00 0.00 C ATOM 495 O LYS A 38 1.801 4.816 -7.645 1.00 0.00 O ATOM 496 CB LYS A 38 -0.507 4.910 -9.449 1.00 0.00 C ATOM 497 CG LYS A 38 -1.349 4.894 -10.713 1.00 0.00 C ATOM 498 CD LYS A 38 -2.353 3.752 -10.700 1.00 0.00 C ATOM 499 CE LYS A 38 -3.069 3.623 -12.034 1.00 0.00 C ATOM 500 NZ LYS A 38 -2.209 2.977 -13.065 1.00 0.00 N ATOM 0 H LYS A 38 1.334 4.466 -11.029 1.00 0.00 H new ATOM 0 HA LYS A 38 0.404 6.825 -9.795 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.184 3.893 -9.225 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.126 5.239 -8.614 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.877 5.843 -10.812 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.699 4.799 -11.583 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.840 2.818 -10.470 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.084 3.918 -9.908 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.980 3.038 -11.902 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.372 4.611 -12.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.750 2.861 -13.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.377 3.574 -13.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -1.899 2.045 -12.724 1.00 0.00 H new ATOM 514 N GLN A 39 1.647 7.060 -7.679 1.00 0.00 N ATOM 515 CA GLN A 39 2.322 7.236 -6.398 1.00 0.00 C ATOM 516 C GLN A 39 1.325 7.166 -5.245 1.00 0.00 C ATOM 517 O GLN A 39 0.218 7.696 -5.337 1.00 0.00 O ATOM 518 CB GLN A 39 3.067 8.572 -6.369 1.00 0.00 C ATOM 519 CG GLN A 39 4.579 8.426 -6.439 1.00 0.00 C ATOM 520 CD GLN A 39 5.304 9.711 -6.090 1.00 0.00 C ATOM 521 OE1 GLN A 39 5.893 10.360 -6.954 1.00 0.00 O ATOM 522 NE2 GLN A 39 5.268 10.085 -4.815 1.00 0.00 N ATOM 0 H GLN A 39 1.355 7.930 -8.125 1.00 0.00 H new ATOM 0 HA GLN A 39 3.043 6.427 -6.279 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.730 9.185 -7.205 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.804 9.106 -5.456 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.896 7.637 -5.757 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.864 8.113 -7.443 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.768 9.517 -4.131 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.740 10.940 -4.521 1.00 0.00 H new ATOM 531 N GLY A 40 1.725 6.509 -4.162 1.00 0.00 N ATOM 532 CA GLY A 40 0.854 6.383 -3.008 1.00 0.00 C ATOM 533 C GLY A 40 1.553 5.752 -1.819 1.00 0.00 C ATOM 534 O GLY A 40 2.677 5.266 -1.938 1.00 0.00 O ATOM 0 H GLY A 40 2.636 6.062 -4.062 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.484 7.369 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.014 5.781 -3.276 1.00 0.00 H new ATOM 538 N ILE A 41 0.884 5.761 -0.671 1.00 0.00 N ATOM 539 CA ILE A 41 1.447 5.185 0.545 1.00 0.00 C ATOM 540 C ILE A 41 0.683 3.934 0.965 1.00 0.00 C ATOM 541 O ILE A 41 -0.536 3.858 0.814 1.00 0.00 O ATOM 542 CB ILE A 41 1.430 6.196 1.706 1.00 0.00 C ATOM 543 CG1 ILE A 41 2.001 7.541 1.251 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.213 5.654 2.892 1.00 0.00 C ATOM 545 CD1 ILE A 41 0.940 8.576 0.946 1.00 0.00 C ATOM 0 H ILE A 41 -0.048 6.160 -0.557 1.00 0.00 H new ATOM 0 HA ILE A 41 2.480 4.919 0.320 1.00 0.00 H new ATOM 0 HB ILE A 41 0.397 6.350 2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.661 7.927 2.027 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.611 7.385 0.362 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.192 6.380 3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.764 4.720 3.228 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.246 5.473 2.594 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.417 9.504 0.630 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.293 8.210 0.148 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.344 8.761 1.840 1.00 0.00 H new ATOM 557 N VAL A 42 1.409 2.954 1.494 1.00 0.00 N ATOM 558 CA VAL A 42 0.800 1.706 1.936 1.00 0.00 C ATOM 559 C VAL A 42 -0.065 1.924 3.174 1.00 0.00 C ATOM 560 O VAL A 42 0.411 2.421 4.195 1.00 0.00 O ATOM 561 CB VAL A 42 1.866 0.641 2.252 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.214 -0.707 2.516 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.875 0.542 1.117 1.00 0.00 C ATOM 0 H VAL A 42 2.419 3.001 1.627 1.00 0.00 H new ATOM 0 HA VAL A 42 0.175 1.352 1.116 1.00 0.00 H new ATOM 0 HB VAL A 42 2.398 0.943 3.154 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.984 -1.446 2.737 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.536 -0.623 3.366 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.654 -1.019 1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.621 -0.216 1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.361 0.265 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.367 1.505 0.982 1.00 0.00 H new ATOM 573 N ARG A 43 -1.336 1.551 3.074 1.00 0.00 N ATOM 574 CA ARG A 43 -2.268 1.706 4.185 1.00 0.00 C ATOM 575 C ARG A 43 -2.585 0.357 4.821 1.00 0.00 C ATOM 576 O ARG A 43 -2.838 0.269 6.023 1.00 0.00 O ATOM 577 CB ARG A 43 -3.557 2.375 3.707 1.00 0.00 C ATOM 578 CG ARG A 43 -3.343 3.760 3.119 1.00 0.00 C ATOM 579 CD ARG A 43 -2.951 4.767 4.188 1.00 0.00 C ATOM 580 NE ARG A 43 -4.025 5.719 4.464 1.00 0.00 N ATOM 581 CZ ARG A 43 -4.091 6.464 5.565 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.149 6.371 6.495 1.00 0.00 N ATOM 583 NH2 ARG A 43 -5.102 7.305 5.736 1.00 0.00 N ATOM 0 H ARG A 43 -1.745 1.139 2.235 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.797 2.339 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.029 1.740 2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.250 2.448 4.545 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.565 3.716 2.357 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.256 4.091 2.624 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.690 4.239 5.105 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.061 5.308 3.867 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.768 5.818 3.772 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.369 5.726 6.368 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.205 6.944 7.337 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.828 7.381 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.153 7.876 6.580 1.00 0.00 H new ATOM 597 N PHE A 44 -2.572 -0.693 4.006 1.00 0.00 N ATOM 598 CA PHE A 44 -2.860 -2.040 4.489 1.00 0.00 C ATOM 599 C PHE A 44 -2.070 -3.080 3.702 1.00 0.00 C ATOM 600 O PHE A 44 -2.387 -3.371 2.548 1.00 0.00 O ATOM 601 CB PHE A 44 -4.357 -2.331 4.386 1.00 0.00 C ATOM 602 CG PHE A 44 -4.751 -3.659 4.969 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.442 -4.839 4.312 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.431 -3.725 6.175 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.804 -6.061 4.846 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.795 -4.944 6.714 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.481 -6.114 6.049 1.00 0.00 C ATOM 0 H PHE A 44 -2.365 -0.638 3.009 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.558 -2.098 5.535 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.909 -1.541 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.654 -2.301 3.338 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.912 -4.803 3.372 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.679 -2.814 6.699 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.558 -6.974 4.323 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.325 -4.982 7.654 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.764 -7.068 6.469 1.00 0.00 H new ATOM 617 N TYR A 45 -1.042 -3.639 4.332 1.00 0.00 N ATOM 618 CA TYR A 45 -0.208 -4.649 3.691 1.00 0.00 C ATOM 619 C TYR A 45 -0.414 -6.015 4.336 1.00 0.00 C ATOM 620 O TYR A 45 -0.245 -6.173 5.545 1.00 0.00 O ATOM 621 CB TYR A 45 1.266 -4.249 3.773 1.00 0.00 C ATOM 622 CG TYR A 45 2.201 -5.233 3.105 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.877 -5.805 1.881 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.405 -5.589 3.698 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.728 -6.704 1.267 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.262 -6.487 3.090 1.00 0.00 C ATOM 627 CZ TYR A 45 3.919 -7.042 1.876 1.00 0.00 C ATOM 628 OH TYR A 45 4.769 -7.938 1.267 1.00 0.00 O ATOM 0 H TYR A 45 -0.766 -3.409 5.287 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.501 -4.715 2.643 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.394 -3.270 3.312 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.548 -4.147 4.821 1.00 0.00 H new ATOM 0 HD1 TYR A 45 0.945 -5.543 1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.676 -5.157 4.650 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.462 -7.140 0.315 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.196 -6.752 3.564 1.00 0.00 H new ATOM 0 HH TYR A 45 5.564 -8.066 1.826 1.00 0.00 H new ATOM 638 N GLY A 46 -0.780 -6.999 3.521 1.00 0.00 N ATOM 639 CA GLY A 46 -1.003 -8.338 4.032 1.00 0.00 C ATOM 640 C GLY A 46 -1.608 -9.262 2.992 1.00 0.00 C ATOM 641 O GLY A 46 -1.269 -9.184 1.812 1.00 0.00 O ATOM 0 H GLY A 46 -0.926 -6.893 2.517 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.057 -8.754 4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.664 -8.288 4.898 1.00 0.00 H new ATOM 645 N LYS A 47 -2.505 -10.138 3.433 1.00 0.00 N ATOM 646 CA LYS A 47 -3.159 -11.081 2.532 1.00 0.00 C ATOM 647 C LYS A 47 -4.503 -10.538 2.058 1.00 0.00 C ATOM 648 O LYS A 47 -4.949 -9.481 2.506 1.00 0.00 O ATOM 649 CB LYS A 47 -3.357 -12.429 3.228 1.00 0.00 C ATOM 650 CG LYS A 47 -2.055 -13.127 3.586 1.00 0.00 C ATOM 651 CD LYS A 47 -2.238 -14.633 3.673 1.00 0.00 C ATOM 652 CE LYS A 47 -2.339 -15.263 2.294 1.00 0.00 C ATOM 653 NZ LYS A 47 -2.032 -16.720 2.324 1.00 0.00 N ATOM 0 H LYS A 47 -2.796 -10.215 4.408 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.517 -11.220 1.662 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.940 -12.277 4.137 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.942 -13.081 2.579 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.298 -12.894 2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.688 -12.748 4.540 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.399 -15.072 4.214 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.139 -14.859 4.244 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.344 -15.112 1.899 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.650 -14.761 1.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.112 -17.111 1.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.064 -16.864 2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.705 -17.204 2.952 1.00 0.00 H new ATOM 667 N THR A 48 -5.143 -11.267 1.151 1.00 0.00 N ATOM 668 CA THR A 48 -6.437 -10.858 0.616 1.00 0.00 C ATOM 669 C THR A 48 -7.373 -12.055 0.485 1.00 0.00 C ATOM 670 O THR A 48 -7.019 -13.177 0.848 1.00 0.00 O ATOM 671 CB THR A 48 -6.260 -10.183 -0.744 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.552 -11.027 -1.635 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.515 -8.868 -0.668 1.00 0.00 C ATOM 0 H THR A 48 -4.787 -12.144 0.771 1.00 0.00 H new ATOM 0 HA THR A 48 -6.881 -10.146 1.311 1.00 0.00 H new ATOM 0 HB THR A 48 -7.271 -9.989 -1.103 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.179 -11.430 -2.272 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.424 -8.443 -1.668 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.062 -8.176 -0.028 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.521 -9.036 -0.254 1.00 0.00 H new ATOM 681 N ASP A 49 -8.571 -11.808 -0.037 1.00 0.00 N ATOM 682 CA ASP A 49 -9.559 -12.866 -0.218 1.00 0.00 C ATOM 683 C ASP A 49 -10.109 -12.872 -1.642 1.00 0.00 C ATOM 684 O ASP A 49 -11.160 -13.456 -1.908 1.00 0.00 O ATOM 685 CB ASP A 49 -10.706 -12.692 0.779 1.00 0.00 C ATOM 686 CG ASP A 49 -11.397 -14.002 1.100 1.00 0.00 C ATOM 687 OD1 ASP A 49 -12.124 -14.520 0.226 1.00 0.00 O ATOM 688 OD2 ASP A 49 -11.211 -14.512 2.225 1.00 0.00 O ATOM 0 H ASP A 49 -8.881 -10.885 -0.342 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.064 -13.820 -0.039 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.320 -12.253 1.699 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.434 -11.991 0.372 1.00 0.00 H new ATOM 693 N PHE A 50 -9.395 -12.219 -2.556 1.00 0.00 N ATOM 694 CA PHE A 50 -9.817 -12.154 -3.951 1.00 0.00 C ATOM 695 C PHE A 50 -8.699 -12.614 -4.879 1.00 0.00 C ATOM 696 O PHE A 50 -8.931 -13.385 -5.811 1.00 0.00 O ATOM 697 CB PHE A 50 -10.241 -10.729 -4.311 1.00 0.00 C ATOM 698 CG PHE A 50 -9.142 -9.717 -4.152 1.00 0.00 C ATOM 699 CD1 PHE A 50 -8.901 -9.123 -2.924 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.350 -9.360 -5.232 1.00 0.00 C ATOM 701 CE1 PHE A 50 -7.892 -8.191 -2.775 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.339 -8.429 -5.090 1.00 0.00 C ATOM 703 CZ PHE A 50 -7.110 -7.845 -3.860 1.00 0.00 C ATOM 0 H PHE A 50 -8.523 -11.729 -2.355 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.669 -12.822 -4.079 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.592 -10.713 -5.343 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.084 -10.440 -3.683 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -9.509 -9.392 -2.073 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -8.525 -9.815 -6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.715 -7.734 -1.813 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -6.729 -8.159 -5.939 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.320 -7.118 -3.746 1.00 0.00 H new ATOM 713 N ALA A 51 -7.486 -12.138 -4.620 1.00 0.00 N ATOM 714 CA ALA A 51 -6.332 -12.502 -5.432 1.00 0.00 C ATOM 715 C ALA A 51 -5.226 -13.113 -4.574 1.00 0.00 C ATOM 716 O ALA A 51 -5.034 -12.719 -3.424 1.00 0.00 O ATOM 717 CB ALA A 51 -5.809 -11.285 -6.181 1.00 0.00 C ATOM 0 H ALA A 51 -7.277 -11.499 -3.853 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.651 -13.252 -6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.947 -11.571 -6.784 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.592 -10.893 -6.831 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.513 -10.517 -5.466 1.00 0.00 H new ATOM 723 N PRO A 52 -4.482 -14.089 -5.124 1.00 0.00 N ATOM 724 CA PRO A 52 -3.393 -14.754 -4.401 1.00 0.00 C ATOM 725 C PRO A 52 -2.163 -13.863 -4.259 1.00 0.00 C ATOM 726 O PRO A 52 -2.035 -12.850 -4.946 1.00 0.00 O ATOM 727 CB PRO A 52 -3.078 -15.965 -5.277 1.00 0.00 C ATOM 728 CG PRO A 52 -3.464 -15.543 -6.653 1.00 0.00 C ATOM 729 CD PRO A 52 -4.644 -14.623 -6.491 1.00 0.00 C ATOM 0 HA PRO A 52 -3.676 -15.011 -3.380 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.022 -16.228 -5.225 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.641 -16.842 -4.959 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.638 -15.034 -7.151 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.723 -16.405 -7.267 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.637 -13.827 -7.236 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.587 -15.157 -6.604 1.00 0.00 H new ATOM 737 N GLY A 53 -1.260 -14.249 -3.363 1.00 0.00 N ATOM 738 CA GLY A 53 -0.050 -13.476 -3.149 1.00 0.00 C ATOM 739 C GLY A 53 -0.264 -12.316 -2.196 1.00 0.00 C ATOM 740 O GLY A 53 -1.357 -12.141 -1.656 1.00 0.00 O ATOM 0 H GLY A 53 -1.344 -15.083 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.729 -14.128 -2.754 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.308 -13.095 -4.105 1.00 0.00 H new ATOM 744 N TYR A 54 0.781 -11.522 -1.990 1.00 0.00 N ATOM 745 CA TYR A 54 0.704 -10.373 -1.096 1.00 0.00 C ATOM 746 C TYR A 54 0.451 -9.090 -1.881 1.00 0.00 C ATOM 747 O TYR A 54 1.118 -8.820 -2.881 1.00 0.00 O ATOM 748 CB TYR A 54 1.995 -10.243 -0.286 1.00 0.00 C ATOM 749 CG TYR A 54 2.098 -11.230 0.854 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.039 -12.598 0.621 1.00 0.00 C ATOM 751 CD2 TYR A 54 2.254 -10.794 2.164 1.00 0.00 C ATOM 752 CE1 TYR A 54 2.132 -13.504 1.660 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.347 -11.693 3.209 1.00 0.00 C ATOM 754 CZ TYR A 54 2.286 -13.046 2.953 1.00 0.00 C ATOM 755 OH TYR A 54 2.379 -13.945 3.990 1.00 0.00 O ATOM 0 H TYR A 54 1.692 -11.653 -2.430 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.131 -10.531 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.847 -10.380 -0.952 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.063 -9.231 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.918 -12.960 -0.389 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.303 -9.735 2.369 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.084 -14.565 1.462 1.00 0.00 H new ATOM 0 HE2 TYR A 54 2.467 -11.337 4.222 1.00 0.00 H new ATOM 0 HH TYR A 54 2.485 -13.460 4.835 1.00 0.00 H new ATOM 765 N TRP A 55 -0.517 -8.303 -1.423 1.00 0.00 N ATOM 766 CA TRP A 55 -0.858 -7.048 -2.083 1.00 0.00 C ATOM 767 C TRP A 55 -0.755 -5.876 -1.111 1.00 0.00 C ATOM 768 O TRP A 55 -0.824 -6.057 0.104 1.00 0.00 O ATOM 769 CB TRP A 55 -2.270 -7.121 -2.664 1.00 0.00 C ATOM 770 CG TRP A 55 -2.491 -8.321 -3.534 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.614 -9.619 -3.125 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.613 -8.336 -4.962 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.805 -10.439 -4.211 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.809 -9.675 -5.350 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.577 -7.347 -5.948 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.967 -10.049 -6.681 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.734 -7.720 -7.270 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.928 -9.060 -7.626 1.00 0.00 C ATOM 0 H TRP A 55 -1.079 -8.512 -0.598 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.147 -6.888 -2.893 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.991 -7.135 -1.847 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.464 -6.219 -3.245 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.568 -9.952 -2.099 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.924 -11.451 -4.176 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.429 -6.311 -5.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.115 -11.082 -6.958 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.707 -6.965 -8.041 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.049 -9.318 -8.668 1.00 0.00 H new ATOM 789 N TYR A 56 -0.587 -4.676 -1.655 1.00 0.00 N ATOM 790 CA TYR A 56 -0.473 -3.474 -0.836 1.00 0.00 C ATOM 791 C TYR A 56 -1.711 -2.597 -0.979 1.00 0.00 C ATOM 792 O TYR A 56 -2.111 -2.246 -2.088 1.00 0.00 O ATOM 793 CB TYR A 56 0.775 -2.683 -1.230 1.00 0.00 C ATOM 794 CG TYR A 56 2.071 -3.382 -0.884 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.425 -4.575 -1.501 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.939 -2.850 0.061 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.608 -5.218 -1.188 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.124 -3.486 0.379 1.00 0.00 C ATOM 799 CZ TYR A 56 4.453 -4.669 -0.247 1.00 0.00 C ATOM 800 OH TYR A 56 5.631 -5.306 0.068 1.00 0.00 O ATOM 0 H TYR A 56 -0.527 -4.509 -2.659 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.388 -3.781 0.206 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.750 -2.493 -2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.752 -1.713 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.765 -5.008 -2.238 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.684 -1.924 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.869 -6.145 -1.678 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.789 -3.058 1.115 1.00 0.00 H new ATOM 0 HH TYR A 56 5.438 -6.106 0.600 1.00 0.00 H new ATOM 810 N GLY A 57 -2.314 -2.245 0.152 1.00 0.00 N ATOM 811 CA GLY A 57 -3.500 -1.410 0.131 1.00 0.00 C ATOM 812 C GLY A 57 -3.166 0.067 0.060 1.00 0.00 C ATOM 813 O GLY A 57 -3.499 0.830 0.967 1.00 0.00 O ATOM 0 H GLY A 57 -2.002 -2.523 1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.117 -1.682 -0.725 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.093 -1.603 1.025 1.00 0.00 H new ATOM 817 N ILE A 58 -2.507 0.470 -1.021 1.00 0.00 N ATOM 818 CA ILE A 58 -2.127 1.865 -1.208 1.00 0.00 C ATOM 819 C ILE A 58 -3.346 2.731 -1.505 1.00 0.00 C ATOM 820 O ILE A 58 -4.253 2.317 -2.228 1.00 0.00 O ATOM 821 CB ILE A 58 -1.108 2.021 -2.354 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.062 1.053 -2.163 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.607 3.457 -2.427 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.771 0.702 -3.454 1.00 0.00 C ATOM 0 H ILE A 58 -2.225 -0.150 -1.781 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.668 2.196 -0.276 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.604 1.781 -3.295 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.780 1.495 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.306 0.138 -1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.112 3.551 -3.241 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.448 4.127 -2.606 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.126 3.723 -1.486 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.589 0.013 -3.244 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.066 0.231 -4.140 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.169 1.609 -3.909 1.00 0.00 H new ATOM 836 N GLU A 59 -3.361 3.936 -0.943 1.00 0.00 N ATOM 837 CA GLU A 59 -4.469 4.861 -1.149 1.00 0.00 C ATOM 838 C GLU A 59 -4.039 6.040 -2.015 1.00 0.00 C ATOM 839 O GLU A 59 -3.101 6.762 -1.677 1.00 0.00 O ATOM 840 CB GLU A 59 -4.995 5.367 0.196 1.00 0.00 C ATOM 841 CG GLU A 59 -6.296 6.146 0.088 1.00 0.00 C ATOM 842 CD GLU A 59 -6.178 7.558 0.624 1.00 0.00 C ATOM 843 OE1 GLU A 59 -5.818 8.463 -0.158 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.447 7.760 1.827 1.00 0.00 O ATOM 0 H GLU A 59 -2.619 4.294 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.266 4.325 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.145 4.516 0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.238 6.002 0.657 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.607 6.183 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.077 5.618 0.635 1.00 0.00 H new ATOM 851 N LEU A 60 -4.729 6.227 -3.134 1.00 0.00 N ATOM 852 CA LEU A 60 -4.418 7.318 -4.051 1.00 0.00 C ATOM 853 C LEU A 60 -5.066 8.619 -3.590 1.00 0.00 C ATOM 854 O LEU A 60 -5.885 8.626 -2.671 1.00 0.00 O ATOM 855 CB LEU A 60 -4.889 6.974 -5.466 1.00 0.00 C ATOM 856 CG LEU A 60 -4.287 5.697 -6.056 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.991 5.326 -7.352 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.794 5.871 -6.287 1.00 0.00 C ATOM 0 H LEU A 60 -5.508 5.638 -3.429 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.337 7.455 -4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.975 6.876 -5.457 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.650 7.809 -6.125 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.431 4.885 -5.344 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.550 4.415 -7.758 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.050 5.160 -7.156 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.878 6.136 -8.072 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.381 4.954 -6.707 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.627 6.695 -6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.302 6.089 -5.339 1.00 0.00 H new ATOM 870 N ASP A 61 -4.691 9.720 -4.233 1.00 0.00 N ATOM 871 CA ASP A 61 -5.235 11.029 -3.889 1.00 0.00 C ATOM 872 C ASP A 61 -6.328 11.442 -4.873 1.00 0.00 C ATOM 873 O ASP A 61 -7.221 12.218 -4.532 1.00 0.00 O ATOM 874 CB ASP A 61 -4.121 12.078 -3.875 1.00 0.00 C ATOM 875 CG ASP A 61 -3.717 12.472 -2.467 1.00 0.00 C ATOM 876 OD1 ASP A 61 -4.590 12.454 -1.573 1.00 0.00 O ATOM 877 OD2 ASP A 61 -2.530 12.799 -2.259 1.00 0.00 O ATOM 0 H ASP A 61 -4.013 9.732 -4.995 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.675 10.962 -2.894 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.251 11.688 -4.404 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.453 12.964 -4.416 1.00 0.00 H new ATOM 882 N GLN A 62 -6.250 10.920 -6.093 1.00 0.00 N ATOM 883 CA GLN A 62 -7.233 11.237 -7.123 1.00 0.00 C ATOM 884 C GLN A 62 -8.108 10.025 -7.433 1.00 0.00 C ATOM 885 O GLN A 62 -7.678 8.882 -7.276 1.00 0.00 O ATOM 886 CB GLN A 62 -6.533 11.715 -8.397 1.00 0.00 C ATOM 887 CG GLN A 62 -5.352 10.851 -8.806 1.00 0.00 C ATOM 888 CD GLN A 62 -4.646 11.374 -10.041 1.00 0.00 C ATOM 889 OE1 GLN A 62 -3.625 12.055 -9.946 1.00 0.00 O ATOM 890 NE2 GLN A 62 -5.189 11.057 -11.211 1.00 0.00 N ATOM 0 H GLN A 62 -5.517 10.277 -6.392 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.871 12.036 -6.746 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -7.256 11.736 -9.212 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.189 12.739 -8.250 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.642 10.799 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.698 9.834 -8.993 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.036 10.490 -11.243 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -4.759 11.381 -12.077 1.00 0.00 H new ATOM 899 N PRO A 63 -9.354 10.260 -7.881 1.00 0.00 N ATOM 900 CA PRO A 63 -10.290 9.182 -8.214 1.00 0.00 C ATOM 901 C PRO A 63 -9.864 8.409 -9.457 1.00 0.00 C ATOM 902 O PRO A 63 -10.326 8.689 -10.564 1.00 0.00 O ATOM 903 CB PRO A 63 -11.608 9.917 -8.467 1.00 0.00 C ATOM 904 CG PRO A 63 -11.203 11.294 -8.865 1.00 0.00 C ATOM 905 CD PRO A 63 -9.946 11.593 -8.097 1.00 0.00 C ATOM 0 HA PRO A 63 -10.350 8.436 -7.421 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.187 9.432 -9.253 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.232 9.930 -7.573 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.028 11.354 -9.939 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.986 12.015 -8.629 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.277 12.244 -8.659 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.161 12.095 -7.154 1.00 0.00 H new ATOM 913 N THR A 64 -8.980 7.434 -9.268 1.00 0.00 N ATOM 914 CA THR A 64 -8.490 6.621 -10.374 1.00 0.00 C ATOM 915 C THR A 64 -7.971 5.277 -9.873 1.00 0.00 C ATOM 916 O THR A 64 -6.995 4.742 -10.399 1.00 0.00 O ATOM 917 CB THR A 64 -7.381 7.360 -11.126 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.549 8.067 -10.224 1.00 0.00 O ATOM 919 CG2 THR A 64 -7.907 8.353 -12.140 1.00 0.00 C ATOM 0 H THR A 64 -8.589 7.188 -8.359 1.00 0.00 H new ATOM 0 HA THR A 64 -9.322 6.439 -11.054 1.00 0.00 H new ATOM 0 HB THR A 64 -6.823 6.586 -11.654 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.846 8.532 -10.724 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.070 8.843 -12.638 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.514 7.831 -12.880 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.516 9.102 -11.634 1.00 0.00 H new ATOM 927 N GLY A 65 -8.630 4.736 -8.853 1.00 0.00 N ATOM 928 CA GLY A 65 -8.220 3.460 -8.298 1.00 0.00 C ATOM 929 C GLY A 65 -8.933 2.290 -8.948 1.00 0.00 C ATOM 930 O GLY A 65 -9.439 2.405 -10.064 1.00 0.00 O ATOM 0 H GLY A 65 -9.441 5.159 -8.401 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.144 3.341 -8.424 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.418 3.453 -7.226 1.00 0.00 H new ATOM 934 N LYS A 66 -8.972 1.160 -8.248 1.00 0.00 N ATOM 935 CA LYS A 66 -9.628 -0.037 -8.763 1.00 0.00 C ATOM 936 C LYS A 66 -10.850 -0.392 -7.922 1.00 0.00 C ATOM 937 O LYS A 66 -11.864 -0.851 -8.448 1.00 0.00 O ATOM 938 CB LYS A 66 -8.648 -1.211 -8.784 1.00 0.00 C ATOM 939 CG LYS A 66 -7.889 -1.348 -10.093 1.00 0.00 C ATOM 940 CD LYS A 66 -6.773 -0.320 -10.199 1.00 0.00 C ATOM 941 CE LYS A 66 -6.402 -0.044 -11.648 1.00 0.00 C ATOM 942 NZ LYS A 66 -4.974 -0.365 -11.925 1.00 0.00 N ATOM 0 H LYS A 66 -8.557 1.048 -7.323 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.959 0.169 -9.781 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.933 -1.091 -7.970 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.196 -2.134 -8.593 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.470 -2.351 -10.169 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.578 -1.227 -10.929 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -7.085 0.608 -9.720 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -5.896 -0.678 -9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.041 -0.634 -12.305 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.590 1.005 -11.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -4.760 -0.164 -12.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -4.363 0.216 -11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -4.800 -1.372 -11.730 1.00 0.00 H new ATOM 956 N HIS A 67 -10.746 -0.179 -6.615 1.00 0.00 N ATOM 957 CA HIS A 67 -11.843 -0.479 -5.702 1.00 0.00 C ATOM 958 C HIS A 67 -12.180 0.733 -4.839 1.00 0.00 C ATOM 959 O HIS A 67 -11.449 1.724 -4.831 1.00 0.00 O ATOM 960 CB HIS A 67 -11.484 -1.670 -4.812 1.00 0.00 C ATOM 961 CG HIS A 67 -10.166 -1.522 -4.116 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.030 -1.337 -2.758 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.905 -1.536 -4.620 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.721 -1.246 -2.485 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.995 -1.362 -3.580 1.00 0.00 N ATOM 0 H HIS A 67 -9.913 0.200 -6.164 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.719 -0.732 -6.299 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.267 -1.804 -4.065 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.465 -2.575 -5.420 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.649 -1.662 -5.662 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.313 -1.097 -1.496 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.978 -1.331 -3.651 1.00 0.00 H new ATOM 973 N ASP A 68 -13.289 0.645 -4.113 1.00 0.00 N ATOM 974 CA ASP A 68 -13.723 1.735 -3.245 1.00 0.00 C ATOM 975 C ASP A 68 -13.318 1.471 -1.798 1.00 0.00 C ATOM 976 O ASP A 68 -14.002 1.891 -0.866 1.00 0.00 O ATOM 977 CB ASP A 68 -15.239 1.915 -3.337 1.00 0.00 C ATOM 978 CG ASP A 68 -15.677 2.442 -4.690 1.00 0.00 C ATOM 979 OD1 ASP A 68 -15.827 1.628 -5.625 1.00 0.00 O ATOM 980 OD2 ASP A 68 -15.871 3.670 -4.815 1.00 0.00 O ATOM 0 H ASP A 68 -13.904 -0.169 -4.108 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.234 2.650 -3.580 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.728 0.960 -3.147 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.569 2.603 -2.558 1.00 0.00 H new ATOM 985 N GLY A 69 -12.202 0.772 -1.620 1.00 0.00 N ATOM 986 CA GLY A 69 -11.725 0.466 -0.283 1.00 0.00 C ATOM 987 C GLY A 69 -11.959 -0.983 0.098 1.00 0.00 C ATOM 988 O GLY A 69 -11.086 -1.627 0.680 1.00 0.00 O ATOM 0 H GLY A 69 -11.620 0.412 -2.376 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.660 0.687 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.227 1.113 0.436 1.00 0.00 H new ATOM 992 N SER A 70 -13.140 -1.496 -0.231 1.00 0.00 N ATOM 993 CA SER A 70 -13.486 -2.879 0.080 1.00 0.00 C ATOM 994 C SER A 70 -13.521 -3.729 -1.185 1.00 0.00 C ATOM 995 O SER A 70 -13.968 -3.274 -2.238 1.00 0.00 O ATOM 996 CB SER A 70 -14.840 -2.941 0.789 1.00 0.00 C ATOM 997 OG SER A 70 -15.853 -2.331 0.008 1.00 0.00 O ATOM 0 H SER A 70 -13.873 -0.976 -0.713 1.00 0.00 H new ATOM 0 HA SER A 70 -12.719 -3.279 0.743 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.104 -3.980 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.771 -2.442 1.755 1.00 0.00 H new ATOM 0 HG SER A 70 -16.709 -2.385 0.482 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.049 -4.966 -1.075 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.027 -5.880 -2.209 1.00 0.00 C ATOM 1005 C VAL A 71 -13.903 -7.100 -1.948 1.00 0.00 C ATOM 1006 O VAL A 71 -13.573 -7.948 -1.117 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.595 -6.349 -2.524 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.565 -7.139 -3.824 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.647 -5.162 -2.591 1.00 0.00 C ATOM 0 H VAL A 71 -12.676 -5.358 -0.210 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.418 -5.331 -3.066 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.262 -7.005 -1.720 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.545 -7.462 -4.030 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.211 -8.012 -3.734 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.918 -6.509 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.640 -5.513 -2.815 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.975 -4.478 -3.374 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.646 -4.643 -1.633 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.022 -7.183 -2.661 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.947 -8.300 -2.506 1.00 0.00 C ATOM 1021 C PHE A 72 -16.484 -8.369 -1.080 1.00 0.00 C ATOM 1022 O PHE A 72 -16.792 -9.448 -0.574 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.256 -9.615 -2.868 1.00 0.00 C ATOM 1024 CG PHE A 72 -15.067 -9.805 -4.346 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -16.159 -9.868 -5.195 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.795 -9.922 -4.885 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.988 -10.043 -6.555 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.618 -10.098 -6.245 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.716 -10.158 -7.082 1.00 0.00 C ATOM 0 H PHE A 72 -15.310 -6.490 -3.352 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.786 -8.141 -3.183 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.283 -9.652 -2.378 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.843 -10.445 -2.475 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.156 -9.779 -4.790 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.933 -9.875 -4.236 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.849 -10.090 -7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.622 -10.189 -6.653 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.580 -10.294 -8.145 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.594 -7.211 -0.437 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.094 -7.164 0.924 1.00 0.00 C ATOM 1041 C GLY A 73 -15.983 -7.020 1.946 1.00 0.00 C ATOM 1042 O GLY A 73 -16.182 -6.437 3.012 1.00 0.00 O ATOM 0 H GLY A 73 -16.346 -6.305 -0.834 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.786 -6.328 1.025 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.659 -8.073 1.132 1.00 0.00 H new ATOM 1046 N VAL A 74 -14.810 -7.553 1.620 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.663 -7.482 2.517 1.00 0.00 C ATOM 1048 C VAL A 74 -13.000 -6.110 2.455 1.00 0.00 C ATOM 1049 O VAL A 74 -12.505 -5.697 1.407 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.617 -8.560 2.178 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.529 -8.602 3.240 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.280 -9.920 2.031 1.00 0.00 C ATOM 0 H VAL A 74 -14.629 -8.039 0.741 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.040 -7.656 3.525 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.153 -8.302 1.226 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.799 -9.370 2.983 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.033 -7.633 3.291 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.974 -8.834 4.208 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.525 -10.669 1.791 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.773 -10.188 2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.018 -9.880 1.230 1.00 0.00 H new ATOM 1062 N ARG A 75 -12.996 -5.409 3.583 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.394 -4.083 3.656 1.00 0.00 C ATOM 1064 C ARG A 75 -10.986 -4.156 4.239 1.00 0.00 C ATOM 1065 O ARG A 75 -10.705 -4.981 5.107 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.262 -3.151 4.505 1.00 0.00 C ATOM 1067 CG ARG A 75 -12.819 -1.698 4.460 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.977 -0.754 4.737 1.00 0.00 C ATOM 1069 NE ARG A 75 -14.557 -0.222 3.506 1.00 0.00 N ATOM 1070 CZ ARG A 75 -15.325 0.863 3.457 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -15.609 1.535 4.566 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -15.812 1.279 2.296 1.00 0.00 N ATOM 0 H ARG A 75 -13.403 -5.737 4.459 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.329 -3.685 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.295 -3.218 4.163 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.246 -3.495 5.539 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.031 -1.534 5.195 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.394 -1.476 3.481 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.746 -1.280 5.302 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.631 0.070 5.361 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.361 -0.711 2.633 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.238 1.220 5.462 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.198 2.366 4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -15.598 0.767 1.440 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.401 2.111 2.259 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.105 -3.287 3.753 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.725 -3.253 4.225 1.00 0.00 C ATOM 1088 C TYR A 76 -8.391 -1.893 4.828 1.00 0.00 C ATOM 1089 O TYR A 76 -7.740 -1.806 5.869 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.764 -3.565 3.078 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.146 -4.795 2.284 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.189 -4.756 1.367 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.463 -5.993 2.452 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.542 -5.877 0.640 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -7.809 -7.119 1.729 1.00 0.00 C ATOM 1096 CZ TYR A 76 -8.848 -7.056 0.825 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.197 -8.175 0.102 1.00 0.00 O ATOM 0 H TYR A 76 -10.322 -2.598 3.033 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.613 -4.012 5.000 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.723 -2.708 2.406 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.761 -3.701 3.483 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.733 -3.835 1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.648 -6.045 3.159 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.356 -5.831 -0.069 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.268 -8.043 1.871 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.931 -8.056 -0.834 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.841 -0.831 4.166 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.590 0.527 4.637 1.00 0.00 C ATOM 1109 C PHE A 77 -9.681 1.478 4.159 1.00 0.00 C ATOM 1110 O PHE A 77 -10.383 1.196 3.189 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.224 1.013 4.150 1.00 0.00 C ATOM 1112 CG PHE A 77 -7.034 0.879 2.666 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.659 -0.334 2.110 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.228 1.965 1.828 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.483 -0.461 0.745 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -7.053 1.845 0.462 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.680 0.630 -0.080 1.00 0.00 C ATOM 0 H PHE A 77 -9.381 -0.885 3.302 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.596 0.514 5.727 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.098 2.058 4.431 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.443 0.449 4.661 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.503 -1.189 2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.519 2.917 2.247 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.192 -1.412 0.324 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.208 2.699 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.543 0.533 -1.147 1.00 0.00 H new ATOM 1127 N THR A 78 -9.819 2.606 4.848 1.00 0.00 N ATOM 1128 CA THR A 78 -10.826 3.601 4.494 1.00 0.00 C ATOM 1129 C THR A 78 -10.266 4.612 3.500 1.00 0.00 C ATOM 1130 O THR A 78 -9.563 5.549 3.881 1.00 0.00 O ATOM 1131 CB THR A 78 -11.323 4.322 5.747 1.00 0.00 C ATOM 1132 OG1 THR A 78 -10.237 4.686 6.581 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.280 3.493 6.576 1.00 0.00 C ATOM 0 H THR A 78 -9.246 2.854 5.655 1.00 0.00 H new ATOM 0 HA THR A 78 -11.663 3.083 4.025 1.00 0.00 H new ATOM 0 HB THR A 78 -11.853 5.202 5.382 1.00 0.00 H new ATOM 0 HG1 THR A 78 -9.546 5.127 6.044 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.593 4.064 7.450 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.154 3.238 5.976 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.783 2.579 6.900 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.581 4.417 2.223 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.109 5.313 1.174 1.00 0.00 C ATOM 1143 C CYS A 79 -11.281 5.991 0.471 1.00 0.00 C ATOM 1144 O CYS A 79 -12.441 5.676 0.731 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.267 4.542 0.157 1.00 0.00 C ATOM 1146 SG CYS A 79 -10.178 3.265 -0.741 1.00 0.00 S ATOM 0 H CYS A 79 -11.161 3.647 1.890 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.492 6.082 1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.849 5.247 -0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.427 4.078 0.674 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.693 3.777 -1.819 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.968 6.925 -0.421 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.994 7.649 -1.162 1.00 0.00 C ATOM 1154 C ALA A 80 -12.504 6.824 -2.342 1.00 0.00 C ATOM 1155 O ALA A 80 -11.910 5.807 -2.701 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.451 8.988 -1.642 1.00 0.00 C ATOM 0 H ALA A 80 -10.012 7.198 -0.648 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.834 7.831 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.227 9.519 -2.194 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.144 9.585 -0.783 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.593 8.820 -2.293 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.616 7.255 -2.963 1.00 0.00 N ATOM 1163 CA PRO A 81 -14.204 6.551 -4.108 1.00 0.00 C ATOM 1164 C PRO A 81 -13.184 6.287 -5.211 1.00 0.00 C ATOM 1165 O PRO A 81 -12.705 7.215 -5.862 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.287 7.513 -4.600 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.650 8.320 -3.402 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.385 8.460 -2.600 1.00 0.00 C ATOM 0 HA PRO A 81 -14.584 5.568 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.917 8.146 -5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.150 6.972 -4.989 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.039 9.296 -3.692 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.429 7.827 -2.820 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.846 9.373 -2.855 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.590 8.499 -1.530 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.857 5.015 -5.416 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.894 4.629 -6.441 1.00 0.00 C ATOM 1178 C ARG A 82 -10.535 5.274 -6.181 1.00 0.00 C ATOM 1179 O ARG A 82 -9.996 5.979 -7.034 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.407 5.027 -7.828 1.00 0.00 C ATOM 1181 CG ARG A 82 -13.239 3.947 -8.500 1.00 0.00 C ATOM 1182 CD ARG A 82 -13.733 4.394 -9.866 1.00 0.00 C ATOM 1183 NE ARG A 82 -12.824 3.989 -10.936 1.00 0.00 N ATOM 1184 CZ ARG A 82 -13.169 3.930 -12.220 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -14.401 4.248 -12.599 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -12.281 3.552 -13.130 1.00 0.00 N ATOM 0 H ARG A 82 -13.245 4.234 -4.886 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.774 3.546 -6.404 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -13.006 5.933 -7.739 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.557 5.269 -8.466 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.643 3.040 -8.606 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.091 3.696 -7.868 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.721 3.972 -10.050 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.843 5.478 -9.875 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.868 3.737 -10.684 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.089 4.539 -11.905 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.660 4.201 -13.585 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -11.333 3.306 -12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.546 3.507 -14.114 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.987 5.027 -4.996 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.692 5.581 -4.621 1.00 0.00 C ATOM 1202 C HIS A 83 -7.703 4.472 -4.279 1.00 0.00 C ATOM 1203 O HIS A 83 -6.533 4.529 -4.660 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.844 6.530 -3.430 1.00 0.00 C ATOM 1205 CG HIS A 83 -9.163 7.939 -3.825 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.649 9.048 -3.190 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.963 8.411 -4.814 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -9.143 10.135 -3.800 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.944 9.802 -4.793 1.00 0.00 N ATOM 0 H HIS A 83 -10.420 4.446 -4.278 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.304 6.138 -5.474 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.633 6.157 -2.777 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.921 6.524 -2.851 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.007 9.043 -2.397 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.525 7.803 -5.508 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.914 11.151 -3.515 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.179 3.464 -3.557 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.324 2.355 -3.175 1.00 0.00 C ATOM 1219 C GLY A 84 -6.973 1.462 -4.348 1.00 0.00 C ATOM 1220 O GLY A 84 -7.806 1.216 -5.222 1.00 0.00 O ATOM 0 H GLY A 84 -9.142 3.395 -3.229 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.407 2.743 -2.731 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.823 1.763 -2.408 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.737 0.974 -4.369 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.278 0.102 -5.443 1.00 0.00 C ATOM 1226 C VAL A 85 -4.319 -0.959 -4.916 1.00 0.00 C ATOM 1227 O VAL A 85 -3.302 -0.639 -4.299 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.578 0.903 -6.556 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.573 1.803 -7.272 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.426 1.716 -5.985 1.00 0.00 C ATOM 0 H VAL A 85 -5.036 1.168 -3.654 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.162 -0.384 -5.856 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.170 0.201 -7.283 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.060 2.361 -8.055 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.360 1.194 -7.716 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.013 2.500 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.943 2.275 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.807 2.410 -5.236 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.701 1.046 -5.523 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.648 -2.222 -5.162 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.814 -3.331 -4.713 1.00 0.00 C ATOM 1242 C PHE A 86 -2.970 -3.878 -5.859 1.00 0.00 C ATOM 1243 O PHE A 86 -3.500 -4.315 -6.881 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.685 -4.445 -4.128 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.037 -4.236 -2.683 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.116 -4.512 -1.685 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.289 -3.763 -2.323 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.438 -4.321 -0.354 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.617 -3.570 -0.994 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.689 -3.848 -0.009 1.00 0.00 C ATOM 0 H PHE A 86 -5.486 -2.504 -5.670 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.143 -2.958 -3.939 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.604 -4.520 -4.710 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.163 -5.396 -4.232 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.136 -4.880 -1.950 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.017 -3.543 -3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.712 -4.541 0.415 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.597 -3.203 -0.726 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.942 -3.696 1.030 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.653 -3.852 -5.682 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.736 -4.346 -6.702 1.00 0.00 C ATOM 1262 C ALA A 87 0.406 -5.144 -6.075 1.00 0.00 C ATOM 1263 O ALA A 87 0.849 -4.842 -4.968 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.185 -3.189 -7.521 1.00 0.00 C ATOM 0 H ALA A 87 -1.197 -3.494 -4.842 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.291 -5.013 -7.362 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.498 -3.573 -8.279 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.007 -2.663 -8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.349 -2.501 -6.866 1.00 0.00 H new ATOM 1270 N PRO A 88 0.898 -6.180 -6.778 1.00 0.00 N ATOM 1271 CA PRO A 88 1.994 -7.022 -6.280 1.00 0.00 C ATOM 1272 C PRO A 88 3.243 -6.212 -5.952 1.00 0.00 C ATOM 1273 O PRO A 88 3.611 -5.296 -6.685 1.00 0.00 O ATOM 1274 CB PRO A 88 2.271 -7.982 -7.442 1.00 0.00 C ATOM 1275 CG PRO A 88 1.013 -7.993 -8.241 1.00 0.00 C ATOM 1276 CD PRO A 88 0.429 -6.616 -8.106 1.00 0.00 C ATOM 0 HA PRO A 88 1.726 -7.526 -5.351 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.116 -7.643 -8.041 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.517 -8.980 -7.079 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.215 -8.231 -9.285 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.321 -8.749 -7.870 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.779 -5.951 -8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.659 -6.633 -8.163 1.00 0.00 H new ATOM 1284 N ALA A 89 3.892 -6.560 -4.841 1.00 0.00 N ATOM 1285 CA ALA A 89 5.104 -5.869 -4.414 1.00 0.00 C ATOM 1286 C ALA A 89 6.072 -5.735 -5.580 1.00 0.00 C ATOM 1287 O ALA A 89 6.587 -4.651 -5.857 1.00 0.00 O ATOM 1288 CB ALA A 89 5.759 -6.609 -3.258 1.00 0.00 C ATOM 0 H ALA A 89 3.598 -7.316 -4.222 1.00 0.00 H new ATOM 0 HA ALA A 89 4.833 -4.870 -4.072 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.662 -6.080 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.066 -6.659 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.020 -7.619 -3.574 1.00 0.00 H new ATOM 1294 N SER A 90 6.292 -6.846 -6.277 1.00 0.00 N ATOM 1295 CA SER A 90 7.174 -6.856 -7.433 1.00 0.00 C ATOM 1296 C SER A 90 6.715 -5.809 -8.441 1.00 0.00 C ATOM 1297 O SER A 90 7.506 -5.311 -9.241 1.00 0.00 O ATOM 1298 CB SER A 90 7.192 -8.241 -8.083 1.00 0.00 C ATOM 1299 OG SER A 90 6.916 -9.254 -7.131 1.00 0.00 O ATOM 0 H SER A 90 5.871 -7.749 -6.059 1.00 0.00 H new ATOM 0 HA SER A 90 8.185 -6.617 -7.104 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.454 -8.280 -8.884 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.166 -8.420 -8.538 1.00 0.00 H new ATOM 0 HG SER A 90 6.932 -10.129 -7.571 1.00 0.00 H new ATOM 1305 N ARG A 91 5.427 -5.471 -8.383 1.00 0.00 N ATOM 1306 CA ARG A 91 4.863 -4.471 -9.277 1.00 0.00 C ATOM 1307 C ARG A 91 4.918 -3.085 -8.637 1.00 0.00 C ATOM 1308 O ARG A 91 4.728 -2.073 -9.312 1.00 0.00 O ATOM 1309 CB ARG A 91 3.419 -4.828 -9.637 1.00 0.00 C ATOM 1310 CG ARG A 91 3.294 -5.627 -10.924 1.00 0.00 C ATOM 1311 CD ARG A 91 2.007 -5.301 -11.663 1.00 0.00 C ATOM 1312 NE ARG A 91 1.052 -6.407 -11.612 1.00 0.00 N ATOM 1313 CZ ARG A 91 0.051 -6.565 -12.476 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -0.133 -5.692 -13.458 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -0.769 -7.601 -12.357 1.00 0.00 N ATOM 0 H ARG A 91 4.759 -5.876 -7.727 1.00 0.00 H new ATOM 0 HA ARG A 91 5.458 -4.456 -10.190 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.980 -5.400 -8.820 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.839 -3.910 -9.731 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.147 -5.416 -11.568 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.323 -6.692 -10.696 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.554 -4.410 -11.227 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.235 -5.066 -12.703 1.00 0.00 H new ATOM 0 HE ARG A 91 1.159 -7.099 -10.870 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.494 -4.894 -13.555 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -0.902 -5.819 -14.116 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.632 -8.276 -11.604 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.536 -7.723 -13.018 1.00 0.00 H new ATOM 1329 N ILE A 92 5.183 -3.044 -7.331 1.00 0.00 N ATOM 1330 CA ILE A 92 5.266 -1.780 -6.609 1.00 0.00 C ATOM 1331 C ILE A 92 6.714 -1.429 -6.286 1.00 0.00 C ATOM 1332 O ILE A 92 7.569 -2.309 -6.184 1.00 0.00 O ATOM 1333 CB ILE A 92 4.454 -1.822 -5.299 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.024 -2.293 -5.573 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.447 -0.455 -4.632 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.230 -2.571 -4.317 1.00 0.00 C ATOM 0 H ILE A 92 5.343 -3.871 -6.755 1.00 0.00 H new ATOM 0 HA ILE A 92 4.844 -1.015 -7.261 1.00 0.00 H new ATOM 0 HB ILE A 92 4.928 -2.532 -4.621 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.506 -1.535 -6.160 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.058 -3.198 -6.180 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.869 -0.503 -3.709 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.470 -0.156 -4.404 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.996 0.275 -5.304 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.227 -2.901 -4.586 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.725 -3.351 -3.739 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.165 -1.662 -3.719 1.00 0.00 H new ATOM 1348 N GLN A 93 6.984 -0.137 -6.126 1.00 0.00 N ATOM 1349 CA GLN A 93 8.329 0.330 -5.815 1.00 0.00 C ATOM 1350 C GLN A 93 8.334 1.164 -4.538 1.00 0.00 C ATOM 1351 O GLN A 93 7.285 1.415 -3.944 1.00 0.00 O ATOM 1352 CB GLN A 93 8.888 1.153 -6.977 1.00 0.00 C ATOM 1353 CG GLN A 93 9.460 0.307 -8.103 1.00 0.00 C ATOM 1354 CD GLN A 93 8.701 0.476 -9.405 1.00 0.00 C ATOM 1355 OE1 GLN A 93 7.718 -0.221 -9.659 1.00 0.00 O ATOM 1356 NE2 GLN A 93 9.156 1.403 -10.239 1.00 0.00 N ATOM 0 H GLN A 93 6.288 0.605 -6.207 1.00 0.00 H new ATOM 0 HA GLN A 93 8.962 -0.543 -5.660 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.096 1.787 -7.376 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.667 1.816 -6.600 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.505 0.575 -8.259 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.441 -0.743 -7.809 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.974 1.958 -9.988 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.687 1.561 -11.131 1.00 0.00 H new ATOM 1365 N ARG A 94 9.522 1.592 -4.121 1.00 0.00 N ATOM 1366 CA ARG A 94 9.664 2.398 -2.914 1.00 0.00 C ATOM 1367 C ARG A 94 10.088 3.822 -3.259 1.00 0.00 C ATOM 1368 O ARG A 94 10.595 4.082 -4.351 1.00 0.00 O ATOM 1369 CB ARG A 94 10.685 1.761 -1.968 1.00 0.00 C ATOM 1370 CG ARG A 94 10.116 1.417 -0.601 1.00 0.00 C ATOM 1371 CD ARG A 94 11.208 0.999 0.368 1.00 0.00 C ATOM 1372 NE ARG A 94 10.894 1.376 1.744 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.798 1.451 2.718 1.00 0.00 C ATOM 1374 NH1 ARG A 94 13.074 1.177 2.472 1.00 0.00 N ATOM 1375 NH2 ARG A 94 11.428 1.803 3.941 1.00 0.00 N ATOM 0 H ARG A 94 10.400 1.394 -4.601 1.00 0.00 H new ATOM 0 HA ARG A 94 8.695 2.438 -2.416 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.077 0.854 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.526 2.443 -1.841 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.583 2.279 -0.200 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.389 0.611 -0.701 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.349 -0.080 0.311 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.151 1.460 0.072 1.00 0.00 H new ATOM 0 HE ARG A 94 9.924 1.595 1.972 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.366 0.907 1.533 1.00 0.00 H new ATOM 0 HH12 ARG A 94 13.762 1.236 3.223 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.450 2.017 4.136 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.121 1.860 4.687 1.00 0.00 H new ATOM 1389 N ILE A 95 9.876 4.741 -2.322 1.00 0.00 N ATOM 1390 CA ILE A 95 10.237 6.138 -2.527 1.00 0.00 C ATOM 1391 C ILE A 95 10.837 6.741 -1.262 1.00 0.00 C ATOM 1392 O ILE A 95 11.880 7.395 -1.308 1.00 0.00 O ATOM 1393 CB ILE A 95 9.017 6.978 -2.953 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.271 6.288 -4.097 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.454 8.376 -3.365 1.00 0.00 C ATOM 1396 CD1 ILE A 95 6.917 6.897 -4.388 1.00 0.00 C ATOM 0 H ILE A 95 9.456 4.543 -1.414 1.00 0.00 H new ATOM 0 HA ILE A 95 10.979 6.159 -3.325 1.00 0.00 H new ATOM 0 HB ILE A 95 8.340 7.066 -2.103 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.882 6.333 -4.998 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.141 5.234 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.581 8.957 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 95 9.946 8.866 -2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.148 8.308 -4.203 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.445 6.359 -5.210 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.288 6.828 -3.500 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.041 7.944 -4.664 1.00 0.00 H new