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 45 TYR OH : rot 180:sc= 0.0611 USER MOD Set 1.2: A 56 TYR OH : rot -76:sc= 1.32 USER MOD Single : A 31 GLN : amide:sc= -0.307 K(o=-0.31,f=-1.2) USER MOD Single : A 37 GLN : amide:sc= -0.118 X(o=-0.12,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 161:sc= -0.0247 (180deg=-0.207) USER MOD Single : A 39 GLN : amide:sc= -0.248 X(o=-0.25,f=-0.02) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -134:sc= 0.216 USER MOD Single : A 54 TYR OH : rot 180:sc= -0.0998 USER MOD Single : A 62 GLN : amide:sc= -0.0208 K(o=-0.021,f=-2!) USER MOD Single : A 64 THR OG1 : rot 147:sc= -1.06 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.285 K(o=-0.29,f=-1) USER MOD Single : A 70 SER OG : rot 180:sc= 0.041 USER MOD Single : A 76 TYR OH : rot 79:sc= 1.62 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot -133:sc= -0.305 USER MOD Single : A 83 HIS : no HE2:sc= -6.59! C(o=-6.6!,f=-12!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 93 GLN : amide:sc= -1.26 K(o=-1.3,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 8.380 -2.854 0.460 1.00 0.00 N ATOM 331 CA ALA A 26 7.786 -1.771 1.234 1.00 0.00 C ATOM 332 C ALA A 26 6.957 -2.314 2.393 1.00 0.00 C ATOM 333 O ALA A 26 6.727 -3.519 2.494 1.00 0.00 O ATOM 334 CB ALA A 26 6.930 -0.890 0.337 1.00 0.00 C ATOM 0 HA ALA A 26 8.594 -1.170 1.651 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.492 -0.085 0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.549 -0.465 -0.453 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.134 -1.488 -0.108 1.00 0.00 H new ATOM 340 N GLU A 27 6.511 -1.417 3.266 1.00 0.00 N ATOM 341 CA GLU A 27 5.707 -1.805 4.418 1.00 0.00 C ATOM 342 C GLU A 27 4.576 -0.809 4.654 1.00 0.00 C ATOM 343 O GLU A 27 4.451 0.185 3.937 1.00 0.00 O ATOM 344 CB GLU A 27 6.583 -1.904 5.668 1.00 0.00 C ATOM 345 CG GLU A 27 7.812 -2.779 5.481 1.00 0.00 C ATOM 346 CD GLU A 27 8.853 -2.559 6.561 1.00 0.00 C ATOM 347 OE1 GLU A 27 8.463 -2.295 7.717 1.00 0.00 O ATOM 348 OE2 GLU A 27 10.059 -2.653 6.251 1.00 0.00 O ATOM 0 H GLU A 27 6.693 -0.416 3.197 1.00 0.00 H new ATOM 0 HA GLU A 27 5.269 -2.782 4.211 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.901 -0.903 5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.986 -2.301 6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.511 -3.827 5.479 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.255 -2.573 4.507 1.00 0.00 H new ATOM 355 N VAL A 28 3.754 -1.082 5.662 1.00 0.00 N ATOM 356 CA VAL A 28 2.633 -0.209 5.991 1.00 0.00 C ATOM 357 C VAL A 28 3.118 1.088 6.630 1.00 0.00 C ATOM 358 O VAL A 28 3.692 1.078 7.719 1.00 0.00 O ATOM 359 CB VAL A 28 1.642 -0.901 6.947 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.407 -0.037 7.155 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.259 -2.275 6.418 1.00 0.00 C ATOM 0 H VAL A 28 3.843 -1.900 6.265 1.00 0.00 H new ATOM 0 HA VAL A 28 2.123 0.018 5.055 1.00 0.00 H new ATOM 0 HB VAL A 28 2.130 -1.033 7.913 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.281 -0.543 7.833 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.701 0.921 7.584 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.085 0.131 6.197 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.559 -2.748 7.107 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.791 -2.171 5.439 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.153 -2.893 6.329 1.00 0.00 H new ATOM 371 N GLY A 29 2.883 2.203 5.945 1.00 0.00 N ATOM 372 CA GLY A 29 3.302 3.493 6.462 1.00 0.00 C ATOM 373 C GLY A 29 4.560 4.006 5.788 1.00 0.00 C ATOM 374 O GLY A 29 5.382 4.671 6.418 1.00 0.00 O ATOM 0 H GLY A 29 2.410 2.236 5.042 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.498 4.216 6.322 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.475 3.412 7.535 1.00 0.00 H new ATOM 378 N ASP A 30 4.709 3.699 4.503 1.00 0.00 N ATOM 379 CA ASP A 30 5.874 4.135 3.744 1.00 0.00 C ATOM 380 C ASP A 30 5.481 4.536 2.326 1.00 0.00 C ATOM 381 O ASP A 30 4.543 3.983 1.751 1.00 0.00 O ATOM 382 CB ASP A 30 6.925 3.024 3.700 1.00 0.00 C ATOM 383 CG ASP A 30 7.748 2.955 4.971 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.472 3.930 5.263 1.00 0.00 O ATOM 385 OD2 ASP A 30 7.668 1.926 5.675 1.00 0.00 O ATOM 0 H ASP A 30 4.037 3.150 3.967 1.00 0.00 H new ATOM 0 HA ASP A 30 6.297 5.006 4.244 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.430 2.066 3.538 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.587 3.188 2.850 1.00 0.00 H new ATOM 390 N GLN A 31 6.204 5.501 1.768 1.00 0.00 N ATOM 391 CA GLN A 31 5.932 5.977 0.416 1.00 0.00 C ATOM 392 C GLN A 31 6.368 4.949 -0.622 1.00 0.00 C ATOM 393 O GLN A 31 7.439 4.353 -0.507 1.00 0.00 O ATOM 394 CB GLN A 31 6.646 7.307 0.167 1.00 0.00 C ATOM 395 CG GLN A 31 5.901 8.510 0.720 1.00 0.00 C ATOM 396 CD GLN A 31 5.779 8.477 2.231 1.00 0.00 C ATOM 397 OE1 GLN A 31 4.713 8.182 2.773 1.00 0.00 O ATOM 398 NE2 GLN A 31 6.873 8.780 2.920 1.00 0.00 N ATOM 0 H GLN A 31 6.983 5.969 2.231 1.00 0.00 H new ATOM 0 HA GLN A 31 4.857 6.127 0.321 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.638 7.267 0.616 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.787 7.439 -0.906 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.418 9.422 0.421 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.905 8.549 0.280 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.735 9.018 2.429 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.851 8.774 3.940 1.00 0.00 H new ATOM 407 N VAL A 32 5.533 4.746 -1.635 1.00 0.00 N ATOM 408 CA VAL A 32 5.834 3.789 -2.694 1.00 0.00 C ATOM 409 C VAL A 32 5.279 4.260 -4.034 1.00 0.00 C ATOM 410 O VAL A 32 4.630 5.303 -4.116 1.00 0.00 O ATOM 411 CB VAL A 32 5.257 2.397 -2.374 1.00 0.00 C ATOM 412 CG1 VAL A 32 6.027 1.749 -1.234 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.777 2.497 -2.039 1.00 0.00 C ATOM 0 H VAL A 32 4.643 5.231 -1.745 1.00 0.00 H new ATOM 0 HA VAL A 32 6.920 3.719 -2.757 1.00 0.00 H new ATOM 0 HB VAL A 32 5.364 1.767 -3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.605 0.767 -1.022 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.074 1.641 -1.517 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.955 2.374 -0.344 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.387 1.504 -1.816 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.643 3.143 -1.171 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.239 2.916 -2.889 1.00 0.00 H new ATOM 423 N LEU A 33 5.541 3.485 -5.082 1.00 0.00 N ATOM 424 CA LEU A 33 5.067 3.824 -6.419 1.00 0.00 C ATOM 425 C LEU A 33 4.457 2.604 -7.103 1.00 0.00 C ATOM 426 O LEU A 33 5.157 1.646 -7.430 1.00 0.00 O ATOM 427 CB LEU A 33 6.217 4.375 -7.265 1.00 0.00 C ATOM 428 CG LEU A 33 5.794 5.067 -8.562 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.939 6.288 -8.261 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.016 5.458 -9.379 1.00 0.00 C ATOM 0 H LEU A 33 6.078 2.619 -5.031 1.00 0.00 H new ATOM 0 HA LEU A 33 4.297 4.589 -6.323 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.784 5.084 -6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.891 3.555 -7.512 1.00 0.00 H new ATOM 0 HG LEU A 33 5.198 4.367 -9.148 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.648 6.767 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.046 5.982 -7.716 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.510 6.992 -7.655 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.697 5.949 -10.298 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.638 6.141 -8.800 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.590 4.565 -9.625 1.00 0.00 H new ATOM 442 N VAL A 34 3.146 2.647 -7.317 1.00 0.00 N ATOM 443 CA VAL A 34 2.439 1.546 -7.961 1.00 0.00 C ATOM 444 C VAL A 34 2.688 1.538 -9.465 1.00 0.00 C ATOM 445 O VAL A 34 2.433 2.528 -10.152 1.00 0.00 O ATOM 446 CB VAL A 34 0.923 1.624 -7.703 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.226 0.374 -8.218 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.643 1.826 -6.221 1.00 0.00 C ATOM 0 H VAL A 34 2.551 3.433 -7.054 1.00 0.00 H new ATOM 0 HA VAL A 34 2.826 0.624 -7.526 1.00 0.00 H new ATOM 0 HB VAL A 34 0.526 2.482 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.844 0.449 -8.026 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.396 0.278 -9.290 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.626 -0.502 -7.707 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.433 1.879 -6.058 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.055 0.990 -5.656 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.107 2.754 -5.886 1.00 0.00 H new ATOM 458 N ALA A 35 3.187 0.415 -9.970 1.00 0.00 N ATOM 459 CA ALA A 35 3.471 0.276 -11.394 1.00 0.00 C ATOM 460 C ALA A 35 4.478 1.322 -11.861 1.00 0.00 C ATOM 461 O ALA A 35 4.506 1.688 -13.036 1.00 0.00 O ATOM 462 CB ALA A 35 2.185 0.382 -12.200 1.00 0.00 C ATOM 0 H ALA A 35 3.403 -0.413 -9.414 1.00 0.00 H new ATOM 0 HA ALA A 35 3.910 -0.708 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.411 0.277 -13.261 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.498 -0.408 -11.895 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.723 1.353 -12.022 1.00 0.00 H new ATOM 468 N GLY A 36 5.304 1.800 -10.935 1.00 0.00 N ATOM 469 CA GLY A 36 6.301 2.800 -11.274 1.00 0.00 C ATOM 470 C GLY A 36 5.695 4.036 -11.910 1.00 0.00 C ATOM 471 O GLY A 36 6.349 4.724 -12.693 1.00 0.00 O ATOM 0 H GLY A 36 5.301 1.513 -9.956 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.842 3.088 -10.373 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.029 2.364 -11.958 1.00 0.00 H new ATOM 475 N GLN A 37 4.441 4.320 -11.572 1.00 0.00 N ATOM 476 CA GLN A 37 3.747 5.481 -12.114 1.00 0.00 C ATOM 477 C GLN A 37 2.852 6.122 -11.059 1.00 0.00 C ATOM 478 O GLN A 37 3.122 7.226 -10.588 1.00 0.00 O ATOM 479 CB GLN A 37 2.914 5.080 -13.332 1.00 0.00 C ATOM 480 CG GLN A 37 3.749 4.689 -14.540 1.00 0.00 C ATOM 481 CD GLN A 37 3.072 3.644 -15.404 1.00 0.00 C ATOM 482 OE1 GLN A 37 1.948 3.836 -15.866 1.00 0.00 O ATOM 483 NE2 GLN A 37 3.755 2.526 -15.626 1.00 0.00 N ATOM 0 H GLN A 37 3.885 3.761 -10.925 1.00 0.00 H new ATOM 0 HA GLN A 37 4.496 6.211 -12.420 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.269 4.244 -13.061 1.00 0.00 H new ATOM 0 HB3 GLN A 37 2.262 5.910 -13.605 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.950 5.576 -15.140 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.713 4.307 -14.203 1.00 0.00 H new ATOM 0 HE21 GLN A 37 4.685 2.408 -15.223 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.350 1.786 -16.199 1.00 0.00 H new ATOM 492 N LYS A 38 1.784 5.421 -10.693 1.00 0.00 N ATOM 493 CA LYS A 38 0.848 5.921 -9.693 1.00 0.00 C ATOM 494 C LYS A 38 1.505 5.990 -8.318 1.00 0.00 C ATOM 495 O LYS A 38 1.951 4.976 -7.780 1.00 0.00 O ATOM 496 CB LYS A 38 -0.393 5.028 -9.632 1.00 0.00 C ATOM 497 CG LYS A 38 -1.112 4.896 -10.965 1.00 0.00 C ATOM 498 CD LYS A 38 -2.205 3.841 -10.906 1.00 0.00 C ATOM 499 CE LYS A 38 -2.271 3.035 -12.193 1.00 0.00 C ATOM 500 NZ LYS A 38 -1.085 2.151 -12.357 1.00 0.00 N ATOM 0 H LYS A 38 1.545 4.505 -11.074 1.00 0.00 H new ATOM 0 HA LYS A 38 0.549 6.928 -9.985 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.101 4.036 -9.286 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.085 5.432 -8.893 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.546 5.857 -11.242 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.394 4.635 -11.743 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.021 3.172 -10.065 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.167 4.322 -10.727 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.178 2.430 -12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.338 3.714 -13.043 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.302 1.403 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.278 2.712 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.844 1.720 -11.442 1.00 0.00 H new ATOM 514 N GLN A 39 1.562 7.192 -7.755 1.00 0.00 N ATOM 515 CA GLN A 39 2.165 7.393 -6.442 1.00 0.00 C ATOM 516 C GLN A 39 1.141 7.169 -5.333 1.00 0.00 C ATOM 517 O GLN A 39 0.021 7.677 -5.397 1.00 0.00 O ATOM 518 CB GLN A 39 2.752 8.803 -6.339 1.00 0.00 C ATOM 519 CG GLN A 39 4.254 8.822 -6.104 1.00 0.00 C ATOM 520 CD GLN A 39 4.688 9.956 -5.198 1.00 0.00 C ATOM 521 OE1 GLN A 39 5.540 10.767 -5.562 1.00 0.00 O ATOM 522 NE2 GLN A 39 4.103 10.019 -4.007 1.00 0.00 N ATOM 0 H GLN A 39 1.198 8.042 -8.187 1.00 0.00 H new ATOM 0 HA GLN A 39 2.967 6.665 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 39 2.529 9.348 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.259 9.334 -5.525 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.561 7.873 -5.665 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.767 8.911 -7.062 1.00 0.00 H new ATOM 0 HE21 GLN A 39 3.402 9.326 -3.746 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.355 10.760 -3.354 1.00 0.00 H new ATOM 531 N GLY A 40 1.532 6.405 -4.319 1.00 0.00 N ATOM 532 CA GLY A 40 0.637 6.127 -3.212 1.00 0.00 C ATOM 533 C GLY A 40 1.369 5.619 -1.986 1.00 0.00 C ATOM 534 O GLY A 40 2.558 5.303 -2.051 1.00 0.00 O ATOM 0 H GLY A 40 2.453 5.973 -4.244 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.090 7.034 -2.955 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.101 5.387 -3.523 1.00 0.00 H new ATOM 538 N ILE A 41 0.660 5.540 -0.866 1.00 0.00 N ATOM 539 CA ILE A 41 1.249 5.067 0.381 1.00 0.00 C ATOM 540 C ILE A 41 0.588 3.772 0.843 1.00 0.00 C ATOM 541 O ILE A 41 -0.608 3.566 0.636 1.00 0.00 O ATOM 542 CB ILE A 41 1.123 6.120 1.497 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.597 7.486 0.996 1.00 0.00 C ATOM 544 CG2 ILE A 41 1.921 5.693 2.721 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.150 8.638 1.869 1.00 0.00 C ATOM 0 H ILE A 41 -0.324 5.798 -0.796 1.00 0.00 H new ATOM 0 HA ILE A 41 2.305 4.884 0.183 1.00 0.00 H new ATOM 0 HB ILE A 41 0.074 6.202 1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.685 7.485 0.939 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.224 7.642 -0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.822 6.448 3.501 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.542 4.739 3.088 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.972 5.586 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.522 9.575 1.454 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.061 8.665 1.907 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.545 8.506 2.876 1.00 0.00 H new ATOM 557 N VAL A 42 1.374 2.903 1.470 1.00 0.00 N ATOM 558 CA VAL A 42 0.864 1.629 1.962 1.00 0.00 C ATOM 559 C VAL A 42 -0.081 1.836 3.141 1.00 0.00 C ATOM 560 O VAL A 42 0.280 2.463 4.136 1.00 0.00 O ATOM 561 CB VAL A 42 2.009 0.692 2.393 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.468 -0.680 2.765 1.00 0.00 C ATOM 563 CG2 VAL A 42 3.052 0.579 1.290 1.00 0.00 C ATOM 0 H VAL A 42 2.366 3.058 1.649 1.00 0.00 H new ATOM 0 HA VAL A 42 0.319 1.167 1.139 1.00 0.00 H new ATOM 0 HB VAL A 42 2.488 1.119 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.292 -1.327 3.066 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.763 -0.582 3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.960 -1.116 1.905 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.852 -0.087 1.613 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.587 0.178 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.464 1.565 1.077 1.00 0.00 H new ATOM 573 N ARG A 43 -1.294 1.304 3.021 1.00 0.00 N ATOM 574 CA ARG A 43 -2.292 1.430 4.077 1.00 0.00 C ATOM 575 C ARG A 43 -2.571 0.078 4.726 1.00 0.00 C ATOM 576 O ARG A 43 -2.668 -0.027 5.948 1.00 0.00 O ATOM 577 CB ARG A 43 -3.589 2.014 3.515 1.00 0.00 C ATOM 578 CG ARG A 43 -3.413 3.381 2.870 1.00 0.00 C ATOM 579 CD ARG A 43 -3.007 4.434 3.890 1.00 0.00 C ATOM 580 NE ARG A 43 -4.129 5.294 4.266 1.00 0.00 N ATOM 581 CZ ARG A 43 -4.955 5.040 5.279 1.00 0.00 C ATOM 582 NH1 ARG A 43 -4.795 3.955 6.026 1.00 0.00 N ATOM 583 NH2 ARG A 43 -5.947 5.878 5.547 1.00 0.00 N ATOM 0 H ARG A 43 -1.609 0.782 2.203 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.897 2.104 4.837 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.999 1.324 2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.321 2.093 4.319 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.656 3.320 2.088 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.345 3.680 2.389 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.612 3.944 4.780 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.203 5.045 3.480 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.288 6.140 3.719 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.034 3.306 5.827 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -5.433 3.770 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.076 6.715 4.978 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.581 5.686 6.322 1.00 0.00 H new ATOM 597 N PHE A 44 -2.699 -0.955 3.898 1.00 0.00 N ATOM 598 CA PHE A 44 -2.969 -2.300 4.391 1.00 0.00 C ATOM 599 C PHE A 44 -2.108 -3.328 3.664 1.00 0.00 C ATOM 600 O PHE A 44 -2.275 -3.556 2.466 1.00 0.00 O ATOM 601 CB PHE A 44 -4.449 -2.643 4.217 1.00 0.00 C ATOM 602 CG PHE A 44 -4.853 -3.924 4.887 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.769 -5.131 4.210 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.316 -3.923 6.192 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.140 -6.313 4.825 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.688 -5.101 6.812 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.601 -6.297 6.127 1.00 0.00 C ATOM 0 H PHE A 44 -2.620 -0.885 2.883 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.720 -2.328 5.452 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.052 -1.828 4.618 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.674 -2.713 3.153 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.410 -5.148 3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.387 -2.990 6.732 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.069 -7.247 4.288 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.046 -5.086 7.831 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.893 -7.219 6.609 1.00 0.00 H new ATOM 617 N TYR A 45 -1.186 -3.947 4.396 1.00 0.00 N ATOM 618 CA TYR A 45 -0.300 -4.951 3.820 1.00 0.00 C ATOM 619 C TYR A 45 -0.594 -6.332 4.399 1.00 0.00 C ATOM 620 O TYR A 45 -0.699 -6.497 5.614 1.00 0.00 O ATOM 621 CB TYR A 45 1.162 -4.578 4.076 1.00 0.00 C ATOM 622 CG TYR A 45 2.150 -5.563 3.492 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.956 -6.106 2.228 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.278 -5.950 4.205 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.856 -7.005 1.691 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.183 -6.849 3.676 1.00 0.00 C ATOM 627 CZ TYR A 45 3.968 -7.374 2.419 1.00 0.00 C ATOM 628 OH TYR A 45 4.867 -8.270 1.888 1.00 0.00 O ATOM 0 H TYR A 45 -1.034 -3.770 5.389 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.477 -4.982 2.745 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.355 -3.591 3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.327 -4.505 5.151 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.086 -5.820 1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.450 -5.541 5.190 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.690 -7.417 0.707 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.055 -7.139 4.244 1.00 0.00 H new ATOM 0 HH TYR A 45 5.594 -8.422 2.528 1.00 0.00 H new ATOM 638 N GLY A 46 -0.725 -7.320 3.520 1.00 0.00 N ATOM 639 CA GLY A 46 -1.006 -8.673 3.961 1.00 0.00 C ATOM 640 C GLY A 46 -1.673 -9.508 2.885 1.00 0.00 C ATOM 641 O GLY A 46 -1.794 -9.073 1.739 1.00 0.00 O ATOM 0 H GLY A 46 -0.641 -7.207 2.510 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.076 -9.153 4.265 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.649 -8.639 4.841 1.00 0.00 H new ATOM 645 N LYS A 47 -2.106 -10.710 3.252 1.00 0.00 N ATOM 646 CA LYS A 47 -2.764 -11.606 2.310 1.00 0.00 C ATOM 647 C LYS A 47 -4.136 -11.068 1.914 1.00 0.00 C ATOM 648 O LYS A 47 -4.747 -10.296 2.653 1.00 0.00 O ATOM 649 CB LYS A 47 -2.909 -13.003 2.917 1.00 0.00 C ATOM 650 CG LYS A 47 -1.580 -13.700 3.163 1.00 0.00 C ATOM 651 CD LYS A 47 -1.779 -15.076 3.777 1.00 0.00 C ATOM 652 CE LYS A 47 -0.467 -15.837 3.876 1.00 0.00 C ATOM 653 NZ LYS A 47 -0.636 -17.148 4.561 1.00 0.00 N ATOM 0 H LYS A 47 -2.013 -11.085 4.196 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.145 -11.668 1.415 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.450 -12.926 3.860 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.515 -13.618 2.252 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.038 -13.795 2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.965 -13.090 3.825 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.217 -14.973 4.770 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.487 -15.646 3.174 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.065 -15.999 2.876 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.262 -15.235 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.281 -17.636 4.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.996 -16.993 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.312 -17.733 4.029 1.00 0.00 H new ATOM 667 N THR A 48 -4.613 -11.482 0.745 1.00 0.00 N ATOM 668 CA THR A 48 -5.912 -11.041 0.250 1.00 0.00 C ATOM 669 C THR A 48 -6.822 -12.234 -0.025 1.00 0.00 C ATOM 670 O THR A 48 -6.380 -13.382 -0.002 1.00 0.00 O ATOM 671 CB THR A 48 -5.743 -10.210 -1.023 1.00 0.00 C ATOM 672 OG1 THR A 48 -4.791 -10.806 -1.886 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.294 -8.790 -0.756 1.00 0.00 C ATOM 0 H THR A 48 -4.120 -12.122 0.123 1.00 0.00 H new ATOM 0 HA THR A 48 -6.374 -10.423 1.019 1.00 0.00 H new ATOM 0 HB THR A 48 -6.731 -10.181 -1.483 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.179 -10.118 -2.223 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.194 -8.256 -1.701 1.00 0.00 H new ATOM 0 HG22 THR A 48 -6.032 -8.286 -0.131 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.332 -8.803 -0.243 1.00 0.00 H new ATOM 681 N ASP A 49 -8.095 -11.954 -0.284 1.00 0.00 N ATOM 682 CA ASP A 49 -9.066 -13.004 -0.564 1.00 0.00 C ATOM 683 C ASP A 49 -9.351 -13.098 -2.060 1.00 0.00 C ATOM 684 O ASP A 49 -9.640 -14.177 -2.580 1.00 0.00 O ATOM 685 CB ASP A 49 -10.366 -12.741 0.199 1.00 0.00 C ATOM 686 CG ASP A 49 -10.994 -14.017 0.727 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.404 -14.636 1.637 1.00 0.00 O ATOM 688 OD2 ASP A 49 -12.076 -14.396 0.230 1.00 0.00 O ATOM 0 H ASP A 49 -8.478 -11.009 -0.306 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.643 -13.953 -0.233 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.166 -12.066 1.031 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.074 -12.235 -0.458 1.00 0.00 H new ATOM 693 N PHE A 50 -9.267 -11.963 -2.746 1.00 0.00 N ATOM 694 CA PHE A 50 -9.515 -11.918 -4.183 1.00 0.00 C ATOM 695 C PHE A 50 -8.355 -12.536 -4.955 1.00 0.00 C ATOM 696 O PHE A 50 -8.546 -13.118 -6.022 1.00 0.00 O ATOM 697 CB PHE A 50 -9.735 -10.475 -4.637 1.00 0.00 C ATOM 698 CG PHE A 50 -8.641 -9.537 -4.212 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.417 -9.543 -4.859 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.839 -8.651 -3.164 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.407 -8.682 -4.469 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.834 -7.789 -2.771 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.617 -7.803 -3.424 1.00 0.00 C ATOM 0 H PHE A 50 -9.029 -11.062 -2.331 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.414 -12.498 -4.390 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.819 -10.454 -5.724 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.684 -10.118 -4.237 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.249 -10.228 -5.677 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.789 -8.635 -2.650 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.456 -8.697 -4.981 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.000 -7.104 -1.953 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.831 -7.128 -3.118 1.00 0.00 H new ATOM 713 N ALA A 51 -7.150 -12.405 -4.408 1.00 0.00 N ATOM 714 CA ALA A 51 -5.958 -12.949 -5.047 1.00 0.00 C ATOM 715 C ALA A 51 -5.009 -13.555 -4.015 1.00 0.00 C ATOM 716 O ALA A 51 -4.933 -13.084 -2.879 1.00 0.00 O ATOM 717 CB ALA A 51 -5.249 -11.869 -5.849 1.00 0.00 C ATOM 0 H ALA A 51 -6.974 -11.927 -3.524 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.270 -13.743 -5.725 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.361 -12.290 -6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.921 -11.486 -6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.956 -11.056 -5.185 1.00 0.00 H new ATOM 723 N PRO A 52 -4.269 -14.610 -4.397 1.00 0.00 N ATOM 724 CA PRO A 52 -3.322 -15.276 -3.499 1.00 0.00 C ATOM 725 C PRO A 52 -2.077 -14.434 -3.239 1.00 0.00 C ATOM 726 O PRO A 52 -1.919 -13.352 -3.804 1.00 0.00 O ATOM 727 CB PRO A 52 -2.956 -16.552 -4.257 1.00 0.00 C ATOM 728 CG PRO A 52 -3.149 -16.207 -5.692 1.00 0.00 C ATOM 729 CD PRO A 52 -4.296 -15.233 -5.735 1.00 0.00 C ATOM 0 HA PRO A 52 -3.752 -15.456 -2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.927 -16.851 -4.056 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.593 -17.385 -3.961 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.246 -15.764 -6.112 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.371 -17.097 -6.281 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.165 -14.493 -6.525 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.244 -15.737 -5.924 1.00 0.00 H new ATOM 737 N GLY A 53 -1.195 -14.938 -2.383 1.00 0.00 N ATOM 738 CA GLY A 53 0.024 -14.220 -2.065 1.00 0.00 C ATOM 739 C GLY A 53 -0.226 -13.006 -1.193 1.00 0.00 C ATOM 740 O GLY A 53 -1.228 -12.942 -0.479 1.00 0.00 O ATOM 0 H GLY A 53 -1.303 -15.832 -1.904 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.715 -14.892 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.508 -13.905 -2.990 1.00 0.00 H new ATOM 744 N TYR A 54 0.683 -12.039 -1.251 1.00 0.00 N ATOM 745 CA TYR A 54 0.557 -10.820 -0.460 1.00 0.00 C ATOM 746 C TYR A 54 0.393 -9.601 -1.363 1.00 0.00 C ATOM 747 O TYR A 54 1.072 -9.473 -2.381 1.00 0.00 O ATOM 748 CB TYR A 54 1.781 -10.642 0.439 1.00 0.00 C ATOM 749 CG TYR A 54 1.660 -11.340 1.774 1.00 0.00 C ATOM 750 CD1 TYR A 54 1.656 -12.728 1.856 1.00 0.00 C ATOM 751 CD2 TYR A 54 1.550 -10.613 2.953 1.00 0.00 C ATOM 752 CE1 TYR A 54 1.545 -13.370 3.075 1.00 0.00 C ATOM 753 CE2 TYR A 54 1.440 -11.249 4.176 1.00 0.00 C ATOM 754 CZ TYR A 54 1.438 -12.626 4.231 1.00 0.00 C ATOM 755 OH TYR A 54 1.329 -13.263 5.447 1.00 0.00 O ATOM 0 H TYR A 54 1.516 -12.076 -1.838 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.333 -10.911 0.163 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.661 -11.021 -0.081 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.945 -9.578 0.609 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.741 -13.314 0.953 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.550 -9.534 2.914 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.542 -14.449 3.122 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.356 -10.669 5.083 1.00 0.00 H new ATOM 0 HH TYR A 54 1.264 -12.595 6.161 1.00 0.00 H new ATOM 765 N TRP A 55 -0.514 -8.707 -0.981 1.00 0.00 N ATOM 766 CA TRP A 55 -0.769 -7.497 -1.754 1.00 0.00 C ATOM 767 C TRP A 55 -0.648 -6.256 -0.875 1.00 0.00 C ATOM 768 O TRP A 55 -0.658 -6.349 0.352 1.00 0.00 O ATOM 769 CB TRP A 55 -2.159 -7.555 -2.388 1.00 0.00 C ATOM 770 CG TRP A 55 -2.315 -8.669 -3.378 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.395 -10.003 -3.104 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.410 -8.545 -4.801 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.533 -10.718 -4.268 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.545 -9.844 -5.325 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.394 -7.462 -5.685 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.664 -10.088 -6.691 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.512 -7.704 -7.040 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.646 -9.009 -7.532 1.00 0.00 C ATOM 0 H TRP A 55 -1.085 -8.798 -0.140 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.021 -7.435 -2.544 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.905 -7.671 -1.601 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.364 -6.606 -2.884 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.355 -10.434 -2.115 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.613 -11.733 -4.336 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.291 -6.453 -5.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.767 -11.093 -7.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.501 -6.874 -7.731 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.737 -9.166 -8.597 1.00 0.00 H new ATOM 789 N TYR A 56 -0.536 -5.095 -1.511 1.00 0.00 N ATOM 790 CA TYR A 56 -0.414 -3.834 -0.787 1.00 0.00 C ATOM 791 C TYR A 56 -1.631 -2.947 -1.027 1.00 0.00 C ATOM 792 O TYR A 56 -1.935 -2.590 -2.165 1.00 0.00 O ATOM 793 CB TYR A 56 0.858 -3.099 -1.210 1.00 0.00 C ATOM 794 CG TYR A 56 2.130 -3.757 -0.724 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.548 -4.975 -1.246 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.914 -3.160 0.255 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.709 -5.579 -0.805 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.077 -3.756 0.701 1.00 0.00 C ATOM 799 CZ TYR A 56 4.470 -4.966 0.169 1.00 0.00 C ATOM 800 OH TYR A 56 5.628 -5.564 0.610 1.00 0.00 O ATOM 0 H TYR A 56 -0.527 -5.000 -2.527 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.357 -4.061 0.278 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.885 -3.035 -2.298 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.820 -2.078 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.955 -5.457 -2.009 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.609 -2.213 0.675 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.020 -6.526 -1.220 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.675 -3.277 1.462 1.00 0.00 H new ATOM 0 HH TYR A 56 5.405 -6.309 1.206 1.00 0.00 H new ATOM 810 N GLY A 57 -2.323 -2.595 0.051 1.00 0.00 N ATOM 811 CA GLY A 57 -3.498 -1.753 -0.065 1.00 0.00 C ATOM 812 C GLY A 57 -3.148 -0.279 -0.137 1.00 0.00 C ATOM 813 O GLY A 57 -3.547 0.504 0.726 1.00 0.00 O ATOM 0 H GLY A 57 -2.091 -2.878 1.003 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.057 -2.035 -0.957 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.152 -1.927 0.789 1.00 0.00 H new ATOM 817 N ILE A 58 -2.399 0.099 -1.167 1.00 0.00 N ATOM 818 CA ILE A 58 -1.993 1.487 -1.348 1.00 0.00 C ATOM 819 C ILE A 58 -3.186 2.365 -1.713 1.00 0.00 C ATOM 820 O ILE A 58 -4.099 1.929 -2.414 1.00 0.00 O ATOM 821 CB ILE A 58 -0.916 1.622 -2.443 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.234 0.648 -2.183 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.401 3.053 -2.509 1.00 0.00 C ATOM 824 CD1 ILE A 58 1.288 0.654 -3.269 1.00 0.00 C ATOM 0 H ILE A 58 -2.061 -0.537 -1.889 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.576 1.820 -0.398 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.366 1.374 -3.404 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.703 0.898 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.169 -0.360 -2.085 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.358 3.131 -3.287 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.227 3.727 -2.739 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.034 3.328 -1.548 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.073 -0.060 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.833 0.375 -4.219 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.719 1.652 -3.352 1.00 0.00 H new ATOM 836 N GLU A 59 -3.172 3.604 -1.232 1.00 0.00 N ATOM 837 CA GLU A 59 -4.252 4.544 -1.506 1.00 0.00 C ATOM 838 C GLU A 59 -3.762 5.691 -2.386 1.00 0.00 C ATOM 839 O GLU A 59 -2.712 6.279 -2.128 1.00 0.00 O ATOM 840 CB GLU A 59 -4.819 5.096 -0.198 1.00 0.00 C ATOM 841 CG GLU A 59 -6.039 5.982 -0.388 1.00 0.00 C ATOM 842 CD GLU A 59 -5.735 7.452 -0.172 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.806 7.757 0.606 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.424 8.297 -0.779 1.00 0.00 O ATOM 0 H GLU A 59 -2.424 3.980 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.040 4.011 -2.038 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.084 4.263 0.453 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.043 5.666 0.313 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.432 5.841 -1.395 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.820 5.671 0.306 1.00 0.00 H new ATOM 851 N LEU A 60 -4.530 6.003 -3.425 1.00 0.00 N ATOM 852 CA LEU A 60 -4.173 7.080 -4.343 1.00 0.00 C ATOM 853 C LEU A 60 -4.820 8.394 -3.919 1.00 0.00 C ATOM 854 O LEU A 60 -5.813 8.402 -3.191 1.00 0.00 O ATOM 855 CB LEU A 60 -4.600 6.725 -5.768 1.00 0.00 C ATOM 856 CG LEU A 60 -3.758 5.643 -6.446 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.229 5.417 -7.875 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.285 6.021 -6.422 1.00 0.00 C ATOM 0 H LEU A 60 -5.403 5.526 -3.653 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.090 7.204 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.639 6.396 -5.748 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.563 7.628 -6.378 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.883 4.712 -5.893 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.618 4.644 -8.341 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.272 5.101 -7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.134 6.344 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.701 5.240 -6.909 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.143 6.963 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.954 6.131 -5.389 1.00 0.00 H new ATOM 870 N ASP A 61 -4.252 9.503 -4.380 1.00 0.00 N ATOM 871 CA ASP A 61 -4.774 10.824 -4.050 1.00 0.00 C ATOM 872 C ASP A 61 -5.614 11.379 -5.195 1.00 0.00 C ATOM 873 O ASP A 61 -5.672 12.591 -5.406 1.00 0.00 O ATOM 874 CB ASP A 61 -3.626 11.785 -3.734 1.00 0.00 C ATOM 875 CG ASP A 61 -4.105 13.059 -3.067 1.00 0.00 C ATOM 876 OD1 ASP A 61 -5.129 13.007 -2.354 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.456 14.109 -3.258 1.00 0.00 O ATOM 0 H ASP A 61 -3.430 9.513 -4.984 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.410 10.726 -3.170 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.907 11.286 -3.084 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.102 12.036 -4.656 1.00 0.00 H new ATOM 882 N GLN A 62 -6.265 10.484 -5.932 1.00 0.00 N ATOM 883 CA GLN A 62 -7.104 10.885 -7.057 1.00 0.00 C ATOM 884 C GLN A 62 -8.139 9.808 -7.374 1.00 0.00 C ATOM 885 O GLN A 62 -7.891 8.619 -7.172 1.00 0.00 O ATOM 886 CB GLN A 62 -6.243 11.160 -8.291 1.00 0.00 C ATOM 887 CG GLN A 62 -5.158 10.120 -8.522 1.00 0.00 C ATOM 888 CD GLN A 62 -3.760 10.701 -8.424 1.00 0.00 C ATOM 889 OE1 GLN A 62 -3.477 11.524 -7.552 1.00 0.00 O ATOM 890 NE2 GLN A 62 -2.877 10.274 -9.318 1.00 0.00 N ATOM 0 H GLN A 62 -6.228 9.477 -5.771 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.629 11.799 -6.779 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.886 11.203 -9.170 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.778 12.141 -8.188 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.266 9.319 -7.791 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -5.293 9.673 -9.507 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -3.155 9.591 -10.023 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.921 10.629 -9.300 1.00 0.00 H new ATOM 899 N PRO A 63 -9.318 10.212 -7.877 1.00 0.00 N ATOM 900 CA PRO A 63 -10.393 9.276 -8.222 1.00 0.00 C ATOM 901 C PRO A 63 -10.056 8.435 -9.449 1.00 0.00 C ATOM 902 O PRO A 63 -10.723 8.525 -10.480 1.00 0.00 O ATOM 903 CB PRO A 63 -11.584 10.192 -8.508 1.00 0.00 C ATOM 904 CG PRO A 63 -10.975 11.484 -8.929 1.00 0.00 C ATOM 905 CD PRO A 63 -9.696 11.613 -8.149 1.00 0.00 C ATOM 0 HA PRO A 63 -10.577 8.554 -7.426 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.221 9.781 -9.291 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.208 10.318 -7.623 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.780 11.493 -10.001 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.645 12.318 -8.720 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.927 12.133 -8.721 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.843 12.176 -7.227 1.00 0.00 H new ATOM 913 N THR A 64 -9.016 7.616 -9.330 1.00 0.00 N ATOM 914 CA THR A 64 -8.590 6.756 -10.428 1.00 0.00 C ATOM 915 C THR A 64 -8.059 5.426 -9.905 1.00 0.00 C ATOM 916 O THR A 64 -7.178 4.816 -10.511 1.00 0.00 O ATOM 917 CB THR A 64 -7.514 7.455 -11.263 1.00 0.00 C ATOM 918 OG1 THR A 64 -6.586 8.122 -10.427 1.00 0.00 O ATOM 919 CG2 THR A 64 -8.076 8.473 -12.231 1.00 0.00 C ATOM 0 H THR A 64 -8.453 7.530 -8.484 1.00 0.00 H new ATOM 0 HA THR A 64 -9.458 6.557 -11.057 1.00 0.00 H new ATOM 0 HB THR A 64 -7.031 6.663 -11.835 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.698 8.099 -10.841 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.261 8.931 -12.791 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.759 7.979 -12.922 1.00 0.00 H new ATOM 0 HG23 THR A 64 -8.614 9.243 -11.678 1.00 0.00 H new ATOM 927 N GLY A 65 -8.602 4.982 -8.775 1.00 0.00 N ATOM 928 CA GLY A 65 -8.171 3.727 -8.189 1.00 0.00 C ATOM 929 C GLY A 65 -8.792 2.524 -8.873 1.00 0.00 C ATOM 930 O GLY A 65 -9.246 2.616 -10.013 1.00 0.00 O ATOM 0 H GLY A 65 -9.332 5.469 -8.256 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.085 3.655 -8.250 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.433 3.715 -7.131 1.00 0.00 H new ATOM 934 N LYS A 66 -8.811 1.393 -8.175 1.00 0.00 N ATOM 935 CA LYS A 66 -9.381 0.167 -8.721 1.00 0.00 C ATOM 936 C LYS A 66 -10.660 -0.215 -7.983 1.00 0.00 C ATOM 937 O LYS A 66 -11.590 -0.762 -8.575 1.00 0.00 O ATOM 938 CB LYS A 66 -8.367 -0.975 -8.632 1.00 0.00 C ATOM 939 CG LYS A 66 -7.306 -0.933 -9.719 1.00 0.00 C ATOM 940 CD LYS A 66 -6.339 -2.100 -9.601 1.00 0.00 C ATOM 941 CE LYS A 66 -6.603 -3.154 -10.665 1.00 0.00 C ATOM 942 NZ LYS A 66 -7.873 -3.889 -10.416 1.00 0.00 N ATOM 0 H LYS A 66 -8.438 1.300 -7.230 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.627 0.345 -9.768 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.879 -0.941 -7.658 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.897 -1.926 -8.690 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.786 -0.954 -10.698 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.755 0.005 -9.655 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.316 -1.736 -9.694 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.429 -2.550 -8.612 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.645 -2.678 -11.645 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.773 -3.861 -10.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -8.016 -4.598 -11.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.824 -4.365 -9.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.668 -3.219 -10.418 1.00 0.00 H new ATOM 956 N HIS A 67 -10.700 0.079 -6.687 1.00 0.00 N ATOM 957 CA HIS A 67 -11.865 -0.232 -5.869 1.00 0.00 C ATOM 958 C HIS A 67 -12.172 0.908 -4.903 1.00 0.00 C ATOM 959 O HIS A 67 -11.416 1.874 -4.808 1.00 0.00 O ATOM 960 CB HIS A 67 -11.635 -1.528 -5.088 1.00 0.00 C ATOM 961 CG HIS A 67 -10.278 -1.617 -4.459 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.039 -1.408 -3.118 1.00 0.00 N ATOM 963 CD2 HIS A 67 -9.073 -1.899 -5.015 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.726 -1.565 -2.907 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.095 -1.865 -4.025 1.00 0.00 N ATOM 0 H HIS A 67 -9.939 0.532 -6.182 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.719 -0.362 -6.533 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.393 -1.613 -4.310 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.771 -2.376 -5.759 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.900 -2.115 -6.059 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.246 -1.460 -1.945 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.096 -2.037 -4.141 1.00 0.00 H new ATOM 973 N ASP A 68 -13.288 0.788 -4.190 1.00 0.00 N ATOM 974 CA ASP A 68 -13.695 1.808 -3.231 1.00 0.00 C ATOM 975 C ASP A 68 -13.286 1.419 -1.815 1.00 0.00 C ATOM 976 O ASP A 68 -14.013 1.675 -0.855 1.00 0.00 O ATOM 977 CB ASP A 68 -15.209 2.023 -3.297 1.00 0.00 C ATOM 978 CG ASP A 68 -15.596 3.475 -3.096 1.00 0.00 C ATOM 979 OD1 ASP A 68 -15.515 3.957 -1.946 1.00 0.00 O ATOM 980 OD2 ASP A 68 -15.979 4.130 -4.088 1.00 0.00 O ATOM 0 H ASP A 68 -13.926 -0.005 -4.259 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.190 2.738 -3.492 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.580 1.681 -4.263 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.694 1.412 -2.535 1.00 0.00 H new ATOM 985 N GLY A 69 -12.117 0.799 -1.692 1.00 0.00 N ATOM 986 CA GLY A 69 -11.632 0.384 -0.389 1.00 0.00 C ATOM 987 C GLY A 69 -11.970 -1.060 -0.077 1.00 0.00 C ATOM 988 O GLY A 69 -11.079 -1.900 0.049 1.00 0.00 O ATOM 0 H GLY A 69 -11.497 0.577 -2.471 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.551 0.518 -0.348 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -12.063 1.028 0.378 1.00 0.00 H new ATOM 992 N SER A 70 -13.261 -1.349 0.049 1.00 0.00 N ATOM 993 CA SER A 70 -13.715 -2.702 0.350 1.00 0.00 C ATOM 994 C SER A 70 -13.946 -3.495 -0.933 1.00 0.00 C ATOM 995 O SER A 70 -14.572 -3.005 -1.873 1.00 0.00 O ATOM 996 CB SER A 70 -15.002 -2.659 1.175 1.00 0.00 C ATOM 997 OG SER A 70 -15.867 -1.633 0.720 1.00 0.00 O ATOM 0 H SER A 70 -14.011 -0.665 -0.053 1.00 0.00 H new ATOM 0 HA SER A 70 -12.937 -3.200 0.929 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.510 -3.621 1.112 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.759 -2.495 2.225 1.00 0.00 H new ATOM 0 HG SER A 70 -16.683 -1.628 1.263 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.437 -4.722 -0.964 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.588 -5.582 -2.132 1.00 0.00 C ATOM 1005 C VAL A 71 -14.451 -6.798 -1.811 1.00 0.00 C ATOM 1006 O VAL A 71 -14.071 -7.646 -1.004 1.00 0.00 O ATOM 1007 CB VAL A 71 -12.222 -6.061 -2.657 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -12.383 -6.788 -3.983 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -11.263 -4.890 -2.797 1.00 0.00 C ATOM 0 H VAL A 71 -12.917 -5.143 -0.194 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.076 -4.986 -2.903 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.802 -6.761 -1.934 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.407 -7.119 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -13.032 -7.653 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.826 -6.114 -4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.303 -5.248 -3.169 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.675 -4.164 -3.497 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.122 -4.417 -1.825 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.615 -6.876 -2.449 1.00 0.00 N ATOM 1020 CA PHE A 72 -16.532 -7.989 -2.231 1.00 0.00 C ATOM 1021 C PHE A 72 -16.975 -8.053 -0.773 1.00 0.00 C ATOM 1022 O PHE A 72 -17.242 -9.131 -0.242 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.871 -9.308 -2.634 1.00 0.00 C ATOM 1024 CG PHE A 72 -15.210 -9.261 -3.982 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -15.900 -8.799 -5.091 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.898 -9.680 -4.139 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.293 -8.754 -6.332 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.287 -9.638 -5.377 1.00 0.00 C ATOM 1029 CZ PHE A 72 -13.986 -9.174 -6.476 1.00 0.00 C ATOM 0 H PHE A 72 -15.945 -6.182 -3.120 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.413 -7.827 -2.852 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.128 -9.577 -1.883 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.623 -10.097 -2.635 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.923 -8.470 -4.985 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.347 -10.043 -3.284 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.841 -8.390 -7.189 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.264 -9.967 -5.486 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.510 -9.140 -7.445 1.00 0.00 H new ATOM 1039 N GLY A 73 -17.049 -6.892 -0.130 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.459 -6.839 1.261 1.00 0.00 C ATOM 1041 C GLY A 73 -16.281 -6.739 2.209 1.00 0.00 C ATOM 1042 O GLY A 73 -16.396 -6.171 3.295 1.00 0.00 O ATOM 0 H GLY A 73 -16.832 -5.987 -0.548 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.116 -5.982 1.411 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.039 -7.730 1.500 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.146 -7.295 1.800 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.941 -7.267 2.622 1.00 0.00 C ATOM 1048 C VAL A 74 -13.272 -5.897 2.569 1.00 0.00 C ATOM 1049 O VAL A 74 -12.937 -5.400 1.493 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.928 -8.337 2.172 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.773 -8.427 3.157 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.613 -9.686 2.016 1.00 0.00 C ATOM 0 H VAL A 74 -15.035 -7.771 0.905 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.251 -7.479 3.645 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.525 -8.046 1.202 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.068 -9.188 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.267 -7.463 3.213 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.155 -8.694 4.142 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.883 -10.430 1.698 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.045 -9.987 2.970 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.402 -9.609 1.268 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.082 -5.291 3.736 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.453 -3.978 3.823 1.00 0.00 C ATOM 1064 C ARG A 75 -10.991 -4.102 4.240 1.00 0.00 C ATOM 1065 O ARG A 75 -10.662 -4.835 5.173 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.207 -3.094 4.818 1.00 0.00 C ATOM 1067 CG ARG A 75 -12.703 -1.661 4.860 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.556 -0.795 5.774 1.00 0.00 C ATOM 1069 NE ARG A 75 -14.439 0.092 5.019 1.00 0.00 N ATOM 1070 CZ ARG A 75 -15.509 0.688 5.538 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -15.834 0.495 6.810 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -16.259 1.480 4.782 1.00 0.00 N ATOM 0 H ARG A 75 -13.355 -5.688 4.635 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.492 -3.517 2.836 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.266 -3.091 4.559 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.124 -3.529 5.814 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.669 -1.648 5.206 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.708 -1.243 3.853 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.153 -1.433 6.425 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.909 -0.200 6.418 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.222 0.264 4.037 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.262 -0.113 7.396 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.656 0.955 7.202 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.015 1.632 3.803 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.080 1.937 5.180 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.120 -3.381 3.543 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.693 -3.409 3.842 1.00 0.00 C ATOM 1088 C TYR A 76 -8.237 -2.089 4.454 1.00 0.00 C ATOM 1089 O TYR A 76 -7.313 -2.055 5.265 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.890 -3.698 2.571 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.334 -4.951 1.847 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.386 -4.916 0.942 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.698 -6.166 2.069 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.794 -6.058 0.278 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.100 -7.312 1.409 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.149 -7.252 0.515 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.551 -8.391 -0.143 1.00 0.00 O ATOM 0 H TYR A 76 -10.377 -2.770 2.767 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.516 -4.204 4.566 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.977 -2.847 1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.836 -3.793 2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.894 -3.982 0.754 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.876 -6.216 2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.614 -6.014 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.596 -8.249 1.592 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.192 -8.386 -1.055 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.893 -1.002 4.058 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.554 0.321 4.569 1.00 0.00 C ATOM 1109 C PHE A 77 -9.563 1.364 4.095 1.00 0.00 C ATOM 1110 O PHE A 77 -10.228 1.180 3.077 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.146 0.718 4.121 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.924 0.575 2.643 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.565 -0.649 2.098 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.075 1.662 1.797 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.361 -0.784 0.739 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.871 1.532 0.437 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.514 0.308 -0.094 1.00 0.00 C ATOM 0 H PHE A 77 -9.661 -1.012 3.386 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.585 0.281 5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.960 1.752 4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.418 0.103 4.651 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.444 -1.506 2.744 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.355 2.622 2.206 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.082 -1.743 0.327 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.991 2.388 -0.211 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.355 0.205 -1.157 1.00 0.00 H new ATOM 1127 N THR A 78 -9.668 2.458 4.841 1.00 0.00 N ATOM 1128 CA THR A 78 -10.594 3.532 4.499 1.00 0.00 C ATOM 1129 C THR A 78 -9.956 4.503 3.511 1.00 0.00 C ATOM 1130 O THR A 78 -9.026 5.234 3.856 1.00 0.00 O ATOM 1131 CB THR A 78 -11.029 4.279 5.760 1.00 0.00 C ATOM 1132 OG1 THR A 78 -11.413 3.369 6.775 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.190 5.222 5.526 1.00 0.00 C ATOM 0 H THR A 78 -9.123 2.625 5.687 1.00 0.00 H new ATOM 0 HA THR A 78 -11.472 3.088 4.029 1.00 0.00 H new ATOM 0 HB THR A 78 -10.161 4.865 6.063 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.686 3.866 7.574 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.448 5.720 6.461 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.909 5.968 4.783 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.050 4.658 5.166 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.460 4.508 2.281 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.937 5.389 1.244 1.00 0.00 C ATOM 1143 C CYS A 79 -11.070 6.063 0.477 1.00 0.00 C ATOM 1144 O CYS A 79 -12.224 5.636 0.552 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.049 4.605 0.278 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.895 3.249 -0.568 1.00 0.00 S ATOM 0 H CYS A 79 -11.230 3.912 1.978 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.341 6.162 1.729 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.648 5.291 -0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.199 4.202 0.829 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.165 2.175 -0.505 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.734 7.115 -0.261 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.721 7.848 -1.045 1.00 0.00 C ATOM 1154 C ALA A 80 -12.325 6.960 -2.130 1.00 0.00 C ATOM 1155 O ALA A 80 -11.797 5.889 -2.432 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.088 9.087 -1.660 1.00 0.00 C ATOM 0 H ALA A 80 -9.784 7.480 -0.333 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.526 8.159 -0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.835 9.626 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.710 9.734 -0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.265 8.790 -2.310 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.443 7.395 -2.738 1.00 0.00 N ATOM 1163 CA PRO A 81 -14.114 6.633 -3.796 1.00 0.00 C ATOM 1164 C PRO A 81 -13.214 6.417 -5.008 1.00 0.00 C ATOM 1165 O PRO A 81 -12.835 7.368 -5.690 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.319 7.505 -4.172 1.00 0.00 C ATOM 1167 CG PRO A 81 -14.986 8.868 -3.668 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.139 8.659 -2.446 1.00 0.00 C ATOM 0 HA PRO A 81 -14.391 5.634 -3.460 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.479 7.512 -5.250 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.235 7.129 -3.716 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.449 9.443 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.890 9.427 -3.426 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.438 9.480 -2.295 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.745 8.587 -1.543 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.875 5.157 -5.269 1.00 0.00 N ATOM 1177 CA ARG A 82 -12.018 4.813 -6.399 1.00 0.00 C ATOM 1178 C ARG A 82 -10.623 5.406 -6.220 1.00 0.00 C ATOM 1179 O ARG A 82 -10.154 6.182 -7.054 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.637 5.308 -7.708 1.00 0.00 C ATOM 1181 CG ARG A 82 -14.058 4.820 -7.931 1.00 0.00 C ATOM 1182 CD ARG A 82 -14.425 4.824 -9.406 1.00 0.00 C ATOM 1183 NE ARG A 82 -15.870 4.761 -9.611 1.00 0.00 N ATOM 1184 CZ ARG A 82 -16.441 4.422 -10.765 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -15.694 4.117 -11.819 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -17.762 4.388 -10.865 1.00 0.00 N ATOM 0 H ARG A 82 -13.181 4.358 -4.713 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.929 3.727 -6.440 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.631 6.398 -7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -12.015 4.981 -8.541 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -14.164 3.811 -7.532 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -14.752 5.455 -7.381 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.031 5.726 -9.875 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.952 3.975 -9.900 1.00 0.00 H new ATOM 0 HE ARG A 82 -16.477 4.990 -8.824 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.677 4.142 -11.747 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.137 3.858 -12.700 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.341 4.621 -10.058 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.200 4.128 -11.749 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.964 5.035 -5.127 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.622 5.528 -4.838 1.00 0.00 C ATOM 1202 C HIS A 83 -7.685 4.379 -4.485 1.00 0.00 C ATOM 1203 O HIS A 83 -6.579 4.281 -5.017 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.664 6.537 -3.688 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.969 7.936 -4.127 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.277 9.044 -3.694 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.918 8.397 -4.982 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.814 10.121 -4.284 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.814 9.782 -5.075 1.00 0.00 N ATOM 0 H HIS A 83 -10.338 4.394 -4.427 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.243 6.021 -5.733 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.416 6.220 -2.965 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.703 6.528 -3.173 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.494 9.045 -3.040 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.638 7.787 -5.506 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.473 11.134 -4.132 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.134 3.511 -3.584 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.322 2.379 -3.175 1.00 0.00 C ATOM 1219 C GLY A 84 -6.985 1.458 -4.331 1.00 0.00 C ATOM 1220 O GLY A 84 -7.825 1.199 -5.193 1.00 0.00 O ATOM 0 H GLY A 84 -9.045 3.571 -3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.399 2.743 -2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.852 1.815 -2.408 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.752 0.961 -4.347 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.304 0.062 -5.404 1.00 0.00 C ATOM 1226 C VAL A 85 -4.386 -1.022 -4.850 1.00 0.00 C ATOM 1227 O VAL A 85 -3.437 -0.733 -4.121 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.562 0.828 -6.515 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.539 1.645 -7.346 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.481 1.717 -5.921 1.00 0.00 C ATOM 0 H VAL A 85 -5.046 1.166 -3.640 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.196 -0.401 -5.825 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.082 0.103 -7.172 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.996 2.179 -8.126 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.271 0.980 -7.804 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.051 2.362 -6.705 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.968 2.250 -6.721 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.935 2.436 -5.239 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.764 1.103 -5.376 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.676 -2.271 -5.199 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.877 -3.399 -4.736 1.00 0.00 C ATOM 1242 C PHE A 86 -2.963 -3.910 -5.844 1.00 0.00 C ATOM 1243 O PHE A 86 -3.430 -4.429 -6.858 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.786 -4.529 -4.248 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.105 -4.453 -2.782 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.123 -4.688 -1.833 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.386 -4.146 -2.354 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.413 -4.619 -0.483 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.682 -4.075 -1.005 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.695 -4.312 -0.069 1.00 0.00 C ATOM 0 H PHE A 86 -5.459 -2.527 -5.801 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.257 -3.056 -3.907 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.716 -4.506 -4.815 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.307 -5.486 -4.458 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.119 -4.928 -2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.162 -3.960 -3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.639 -4.805 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.685 -3.834 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.925 -4.258 0.985 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.656 -3.760 -5.645 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.678 -4.206 -6.629 1.00 0.00 C ATOM 1262 C ALA A 87 0.464 -4.970 -5.961 1.00 0.00 C ATOM 1263 O ALA A 87 0.861 -4.650 -4.841 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.136 -3.019 -7.409 1.00 0.00 C ATOM 0 H ALA A 87 -1.252 -3.333 -4.812 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.178 -4.884 -7.321 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.593 -3.367 -8.140 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.955 -2.517 -7.924 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.343 -2.321 -6.723 1.00 0.00 H new ATOM 1270 N PRO A 88 1.010 -5.993 -6.642 1.00 0.00 N ATOM 1271 CA PRO A 88 2.112 -6.801 -6.104 1.00 0.00 C ATOM 1272 C PRO A 88 3.330 -5.953 -5.749 1.00 0.00 C ATOM 1273 O PRO A 88 3.679 -5.018 -6.469 1.00 0.00 O ATOM 1274 CB PRO A 88 2.450 -7.764 -7.246 1.00 0.00 C ATOM 1275 CG PRO A 88 1.223 -7.809 -8.089 1.00 0.00 C ATOM 1276 CD PRO A 88 0.600 -6.447 -7.982 1.00 0.00 C ATOM 0 HA PRO A 88 1.829 -7.303 -5.179 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.309 -7.412 -7.818 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.704 -8.753 -6.866 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.469 -8.046 -9.124 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.537 -8.581 -7.740 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.961 -5.777 -8.762 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.485 -6.492 -8.077 1.00 0.00 H new ATOM 1284 N ALA A 89 3.974 -6.289 -4.632 1.00 0.00 N ATOM 1285 CA ALA A 89 5.157 -5.560 -4.183 1.00 0.00 C ATOM 1286 C ALA A 89 6.137 -5.387 -5.333 1.00 0.00 C ATOM 1287 O ALA A 89 6.596 -4.280 -5.616 1.00 0.00 O ATOM 1288 CB ALA A 89 5.819 -6.286 -3.020 1.00 0.00 C ATOM 0 H ALA A 89 3.697 -7.059 -4.024 1.00 0.00 H new ATOM 0 HA ALA A 89 4.849 -4.572 -3.840 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.699 -5.730 -2.697 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.115 -6.364 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.118 -7.285 -3.337 1.00 0.00 H new ATOM 1294 N SER A 90 6.435 -6.494 -6.009 1.00 0.00 N ATOM 1295 CA SER A 90 7.338 -6.468 -7.149 1.00 0.00 C ATOM 1296 C SER A 90 6.833 -5.472 -8.184 1.00 0.00 C ATOM 1297 O SER A 90 7.606 -4.935 -8.977 1.00 0.00 O ATOM 1298 CB SER A 90 7.456 -7.861 -7.771 1.00 0.00 C ATOM 1299 OG SER A 90 7.546 -8.861 -6.772 1.00 0.00 O ATOM 0 H SER A 90 6.063 -7.417 -5.785 1.00 0.00 H new ATOM 0 HA SER A 90 8.326 -6.159 -6.808 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.591 -8.054 -8.405 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.337 -7.903 -8.412 1.00 0.00 H new ATOM 0 HG SER A 90 7.619 -9.741 -7.196 1.00 0.00 H new ATOM 1305 N ARG A 91 5.525 -5.216 -8.155 1.00 0.00 N ATOM 1306 CA ARG A 91 4.914 -4.269 -9.076 1.00 0.00 C ATOM 1307 C ARG A 91 4.951 -2.858 -8.491 1.00 0.00 C ATOM 1308 O ARG A 91 4.732 -1.877 -9.202 1.00 0.00 O ATOM 1309 CB ARG A 91 3.470 -4.676 -9.380 1.00 0.00 C ATOM 1310 CG ARG A 91 3.308 -5.376 -10.721 1.00 0.00 C ATOM 1311 CD ARG A 91 1.994 -5.002 -11.389 1.00 0.00 C ATOM 1312 NE ARG A 91 1.027 -6.097 -11.346 1.00 0.00 N ATOM 1313 CZ ARG A 91 -0.036 -6.179 -12.144 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -0.273 -5.234 -13.046 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -0.865 -7.209 -12.039 1.00 0.00 N ATOM 0 H ARG A 91 4.873 -5.652 -7.503 1.00 0.00 H new ATOM 0 HA ARG A 91 5.482 -4.277 -10.006 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.112 -5.335 -8.589 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.839 -3.787 -9.364 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.139 -5.109 -11.375 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.350 -6.456 -10.577 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.573 -4.126 -10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.181 -4.724 -12.426 1.00 0.00 H new ATOM 0 HE ARG A 91 1.175 -6.842 -10.665 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.361 -4.439 -13.131 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.089 -5.303 -13.654 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.688 -7.938 -11.347 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.679 -7.273 -12.650 1.00 0.00 H new ATOM 1329 N ILE A 92 5.234 -2.761 -7.191 1.00 0.00 N ATOM 1330 CA ILE A 92 5.302 -1.468 -6.521 1.00 0.00 C ATOM 1331 C ILE A 92 6.743 -1.102 -6.181 1.00 0.00 C ATOM 1332 O ILE A 92 7.529 -1.955 -5.766 1.00 0.00 O ATOM 1333 CB ILE A 92 4.465 -1.457 -5.228 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.064 -2.011 -5.495 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.382 -0.048 -4.659 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.325 -2.418 -4.239 1.00 0.00 C ATOM 0 H ILE A 92 5.419 -3.561 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 92 4.894 -0.732 -7.214 1.00 0.00 H new ATOM 0 HB ILE A 92 4.955 -2.096 -4.493 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.479 -1.258 -6.023 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.143 -2.874 -6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.787 -0.059 -3.746 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.385 0.313 -4.434 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.914 0.612 -5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.340 -2.801 -4.505 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.888 -3.194 -3.721 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.214 -1.553 -3.586 1.00 0.00 H new ATOM 1348 N GLN A 93 7.084 0.169 -6.361 1.00 0.00 N ATOM 1349 CA GLN A 93 8.431 0.647 -6.073 1.00 0.00 C ATOM 1350 C GLN A 93 8.450 1.485 -4.798 1.00 0.00 C ATOM 1351 O GLN A 93 7.402 1.810 -4.241 1.00 0.00 O ATOM 1352 CB GLN A 93 8.965 1.470 -7.247 1.00 0.00 C ATOM 1353 CG GLN A 93 9.730 0.645 -8.270 1.00 0.00 C ATOM 1354 CD GLN A 93 9.831 1.334 -9.617 1.00 0.00 C ATOM 1355 OE1 GLN A 93 10.877 1.875 -9.973 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.739 1.317 -10.372 1.00 0.00 N ATOM 0 H GLN A 93 6.446 0.887 -6.705 1.00 0.00 H new ATOM 0 HA GLN A 93 9.074 -0.221 -5.925 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.130 1.965 -7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.618 2.254 -6.863 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.733 0.444 -7.893 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.237 -0.319 -8.395 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.894 0.856 -10.036 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.746 1.765 -11.288 1.00 0.00 H new ATOM 1365 N ARG A 94 9.650 1.832 -4.343 1.00 0.00 N ATOM 1366 CA ARG A 94 9.806 2.634 -3.134 1.00 0.00 C ATOM 1367 C ARG A 94 10.346 4.021 -3.467 1.00 0.00 C ATOM 1368 O ARG A 94 11.019 4.209 -4.480 1.00 0.00 O ATOM 1369 CB ARG A 94 10.743 1.930 -2.149 1.00 0.00 C ATOM 1370 CG ARG A 94 10.252 1.968 -0.711 1.00 0.00 C ATOM 1371 CD ARG A 94 11.289 1.404 0.246 1.00 0.00 C ATOM 1372 NE ARG A 94 11.113 1.910 1.606 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.493 3.122 2.000 1.00 0.00 C ATOM 1374 NH1 ARG A 94 12.071 3.956 1.144 1.00 0.00 N ATOM 1375 NH2 ARG A 94 11.294 3.503 3.255 1.00 0.00 N ATOM 0 H ARG A 94 10.528 1.571 -4.792 1.00 0.00 H new ATOM 0 HA ARG A 94 8.825 2.748 -2.673 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.865 0.891 -2.455 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.727 2.395 -2.201 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.019 2.996 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.328 1.397 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.222 0.316 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.287 1.660 -0.109 1.00 0.00 H new ATOM 0 HE ARG A 94 10.673 1.298 2.293 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.226 3.669 0.178 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.360 4.884 1.453 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.850 2.867 3.917 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.585 4.432 3.558 1.00 0.00 H new ATOM 1389 N ILE A 95 10.046 4.989 -2.608 1.00 0.00 N ATOM 1390 CA ILE A 95 10.501 6.360 -2.810 1.00 0.00 C ATOM 1391 C ILE A 95 11.324 6.847 -1.623 1.00 0.00 C ATOM 1392 O ILE A 95 12.517 7.120 -1.752 1.00 0.00 O ATOM 1393 CB ILE A 95 9.316 7.320 -3.026 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.357 6.756 -4.076 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.817 8.695 -3.442 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.061 7.526 -4.186 1.00 0.00 C ATOM 0 H ILE A 95 9.489 4.850 -1.765 1.00 0.00 H new ATOM 0 HA ILE A 95 11.124 6.357 -3.704 1.00 0.00 H new ATOM 0 HB ILE A 95 8.775 7.421 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.853 6.755 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.134 5.718 -3.832 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.968 9.362 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.463 9.098 -2.662 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.380 8.611 -4.372 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.430 7.070 -4.949 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.543 7.505 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.274 8.559 -4.461 1.00 0.00 H new