USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 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 USER MOD Set 1.2: A 56 TYR OH : rot -82:sc= 0.341 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0992 K(o=-0.099,f=-0.94) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0606) USER MOD Single : A 48 THR OG1 : rot -32:sc= 0.474 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.176 X(o=-0.18,f=0) USER MOD Single : A 64 THR OG1 : rot -50:sc= 1.11 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HE2:sc= -5.01! C(o=-5!,f=-9!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 52:sc= 0.119 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 180:sc= -2.35 USER MOD Single : A 83 HIS : no HE2:sc= -3.13 K(o=-3.1,f=-3.9) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc=-0.000764 X(o=-0.00076,f=0) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 7.938 -2.576 0.794 1.00 0.00 N ATOM 331 CA ALA A 26 7.580 -1.479 1.685 1.00 0.00 C ATOM 332 C ALA A 26 6.625 -1.949 2.777 1.00 0.00 C ATOM 333 O ALA A 26 6.307 -3.133 2.870 1.00 0.00 O ATOM 334 CB ALA A 26 6.960 -0.337 0.891 1.00 0.00 C ATOM 0 HA ALA A 26 8.490 -1.120 2.166 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.697 0.476 1.568 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.676 0.023 0.152 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.063 -0.692 0.384 1.00 0.00 H new ATOM 340 N GLU A 27 6.174 -1.010 3.603 1.00 0.00 N ATOM 341 CA GLU A 27 5.255 -1.328 4.691 1.00 0.00 C ATOM 342 C GLU A 27 4.172 -0.261 4.816 1.00 0.00 C ATOM 343 O GLU A 27 4.237 0.784 4.169 1.00 0.00 O ATOM 344 CB GLU A 27 6.020 -1.456 6.010 1.00 0.00 C ATOM 345 CG GLU A 27 6.344 -2.893 6.388 1.00 0.00 C ATOM 346 CD GLU A 27 6.512 -3.077 7.883 1.00 0.00 C ATOM 347 OE1 GLU A 27 7.373 -2.392 8.473 1.00 0.00 O ATOM 348 OE2 GLU A 27 5.783 -3.909 8.464 1.00 0.00 O ATOM 0 H GLU A 27 6.429 -0.024 3.540 1.00 0.00 H new ATOM 0 HA GLU A 27 4.776 -2.280 4.464 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.949 -0.890 5.938 1.00 0.00 H new ATOM 0 HB3 GLU A 27 5.431 -1.003 6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 27 5.548 -3.547 6.032 1.00 0.00 H new ATOM 0 HG3 GLU A 27 7.259 -3.201 5.882 1.00 0.00 H new ATOM 355 N VAL A 28 3.177 -0.533 5.655 1.00 0.00 N ATOM 356 CA VAL A 28 2.079 0.403 5.866 1.00 0.00 C ATOM 357 C VAL A 28 2.571 1.681 6.535 1.00 0.00 C ATOM 358 O VAL A 28 2.934 1.678 7.712 1.00 0.00 O ATOM 359 CB VAL A 28 0.967 -0.222 6.730 1.00 0.00 C ATOM 360 CG1 VAL A 28 -0.236 0.707 6.810 1.00 0.00 C ATOM 361 CG2 VAL A 28 0.562 -1.583 6.182 1.00 0.00 C ATOM 0 H VAL A 28 3.109 -1.393 6.199 1.00 0.00 H new ATOM 0 HA VAL A 28 1.672 0.643 4.884 1.00 0.00 H new ATOM 0 HB VAL A 28 1.356 -0.364 7.738 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.010 0.248 7.424 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.065 1.655 7.255 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.626 0.884 5.808 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.224 -2.007 6.806 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.194 -1.470 5.162 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.426 -2.248 6.184 1.00 0.00 H new ATOM 371 N GLY A 29 2.579 2.774 5.778 1.00 0.00 N ATOM 372 CA GLY A 29 3.029 4.046 6.315 1.00 0.00 C ATOM 373 C GLY A 29 4.318 4.523 5.675 1.00 0.00 C ATOM 374 O GLY A 29 5.112 5.218 6.309 1.00 0.00 O ATOM 0 H GLY A 29 2.282 2.802 4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.253 4.796 6.163 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.175 3.951 7.391 1.00 0.00 H new ATOM 378 N ASP A 30 4.524 4.149 4.417 1.00 0.00 N ATOM 379 CA ASP A 30 5.726 4.545 3.691 1.00 0.00 C ATOM 380 C ASP A 30 5.386 4.965 2.265 1.00 0.00 C ATOM 381 O ASP A 30 4.293 4.686 1.768 1.00 0.00 O ATOM 382 CB ASP A 30 6.736 3.396 3.671 1.00 0.00 C ATOM 383 CG ASP A 30 8.159 3.875 3.877 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.566 4.839 3.194 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.868 3.287 4.720 1.00 0.00 O ATOM 0 H ASP A 30 3.876 3.573 3.879 1.00 0.00 H new ATOM 0 HA ASP A 30 6.168 5.398 4.206 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.481 2.678 4.450 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.666 2.871 2.718 1.00 0.00 H new ATOM 390 N GLN A 31 6.327 5.637 1.610 1.00 0.00 N ATOM 391 CA GLN A 31 6.128 6.095 0.241 1.00 0.00 C ATOM 392 C GLN A 31 6.429 4.981 -0.755 1.00 0.00 C ATOM 393 O GLN A 31 7.464 4.320 -0.666 1.00 0.00 O ATOM 394 CB GLN A 31 7.013 7.309 -0.047 1.00 0.00 C ATOM 395 CG GLN A 31 6.330 8.640 0.223 1.00 0.00 C ATOM 396 CD GLN A 31 7.081 9.489 1.229 1.00 0.00 C ATOM 397 OE1 GLN A 31 6.982 9.274 2.438 1.00 0.00 O ATOM 398 NE2 GLN A 31 7.839 10.461 0.736 1.00 0.00 N ATOM 0 H GLN A 31 7.236 5.876 2.006 1.00 0.00 H new ATOM 0 HA GLN A 31 5.083 6.383 0.129 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.915 7.243 0.562 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.330 7.278 -1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.235 9.191 -0.712 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.320 8.458 0.590 1.00 0.00 H new ATOM 0 HE21 GLN A 31 7.892 10.604 -0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 31 8.368 11.064 1.366 1.00 0.00 H new ATOM 407 N VAL A 32 5.521 4.777 -1.703 1.00 0.00 N ATOM 408 CA VAL A 32 5.691 3.743 -2.716 1.00 0.00 C ATOM 409 C VAL A 32 5.237 4.235 -4.085 1.00 0.00 C ATOM 410 O VAL A 32 4.788 5.371 -4.230 1.00 0.00 O ATOM 411 CB VAL A 32 4.905 2.469 -2.354 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.545 1.763 -1.169 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.450 2.804 -2.060 1.00 0.00 C ATOM 0 H VAL A 32 4.659 5.315 -1.791 1.00 0.00 H new ATOM 0 HA VAL A 32 6.755 3.507 -2.753 1.00 0.00 H new ATOM 0 HB VAL A 32 4.934 1.793 -3.209 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.975 0.866 -0.929 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.569 1.486 -1.420 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.551 2.431 -0.307 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.911 1.891 -1.806 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.399 3.500 -1.223 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.997 3.261 -2.940 1.00 0.00 H new ATOM 423 N LEU A 33 5.358 3.371 -5.088 1.00 0.00 N ATOM 424 CA LEU A 33 4.959 3.718 -6.447 1.00 0.00 C ATOM 425 C LEU A 33 4.343 2.515 -7.155 1.00 0.00 C ATOM 426 O LEU A 33 5.055 1.621 -7.613 1.00 0.00 O ATOM 427 CB LEU A 33 6.163 4.230 -7.240 1.00 0.00 C ATOM 428 CG LEU A 33 5.825 4.903 -8.571 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.949 6.125 -8.343 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.097 5.287 -9.311 1.00 0.00 C ATOM 0 H LEU A 33 5.729 2.426 -4.985 1.00 0.00 H new ATOM 0 HA LEU A 33 4.209 4.507 -6.389 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.711 4.940 -6.621 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.833 3.393 -7.434 1.00 0.00 H new ATOM 0 HG LEU A 33 5.271 4.194 -9.186 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.718 6.591 -9.301 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.023 5.823 -7.854 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.477 6.838 -7.710 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.838 5.765 -10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.678 5.979 -8.701 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.688 4.392 -9.507 1.00 0.00 H new ATOM 442 N VAL A 34 3.017 2.501 -7.242 1.00 0.00 N ATOM 443 CA VAL A 34 2.306 1.409 -7.894 1.00 0.00 C ATOM 444 C VAL A 34 2.520 1.435 -9.402 1.00 0.00 C ATOM 445 O VAL A 34 2.248 2.440 -10.061 1.00 0.00 O ATOM 446 CB VAL A 34 0.796 1.465 -7.600 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.104 0.214 -8.118 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.547 1.642 -6.109 1.00 0.00 C ATOM 0 H VAL A 34 2.414 3.234 -6.869 1.00 0.00 H new ATOM 0 HA VAL A 34 2.713 0.483 -7.488 1.00 0.00 H new ATOM 0 HB VAL A 34 0.376 2.326 -8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.963 0.272 -7.901 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.251 0.136 -9.195 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.526 -0.664 -7.630 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.526 1.679 -5.921 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.982 0.803 -5.565 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.007 2.571 -5.771 1.00 0.00 H new ATOM 458 N ALA A 35 3.008 0.325 -9.945 1.00 0.00 N ATOM 459 CA ALA A 35 3.258 0.219 -11.378 1.00 0.00 C ATOM 460 C ALA A 35 4.239 1.288 -11.849 1.00 0.00 C ATOM 461 O ALA A 35 4.232 1.678 -13.017 1.00 0.00 O ATOM 462 CB ALA A 35 1.950 0.323 -12.149 1.00 0.00 C ATOM 0 H ALA A 35 3.239 -0.515 -9.414 1.00 0.00 H new ATOM 0 HA ALA A 35 3.707 -0.755 -11.571 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.150 0.242 -13.217 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.282 -0.482 -11.843 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.479 1.284 -11.939 1.00 0.00 H new ATOM 468 N GLY A 36 5.082 1.761 -10.936 1.00 0.00 N ATOM 469 CA GLY A 36 6.057 2.781 -11.280 1.00 0.00 C ATOM 470 C GLY A 36 5.419 4.015 -11.889 1.00 0.00 C ATOM 471 O GLY A 36 6.052 4.728 -12.667 1.00 0.00 O ATOM 0 H GLY A 36 5.107 1.456 -9.963 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.610 3.066 -10.385 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.780 2.366 -11.982 1.00 0.00 H new ATOM 475 N GLN A 37 4.163 4.266 -11.535 1.00 0.00 N ATOM 476 CA GLN A 37 3.441 5.423 -12.052 1.00 0.00 C ATOM 477 C GLN A 37 2.626 6.093 -10.951 1.00 0.00 C ATOM 478 O GLN A 37 2.892 7.237 -10.579 1.00 0.00 O ATOM 479 CB GLN A 37 2.520 5.002 -13.200 1.00 0.00 C ATOM 480 CG GLN A 37 3.257 4.371 -14.371 1.00 0.00 C ATOM 481 CD GLN A 37 2.334 3.600 -15.294 1.00 0.00 C ATOM 482 OE1 GLN A 37 1.643 2.675 -14.868 1.00 0.00 O ATOM 483 NE2 GLN A 37 2.321 3.978 -16.567 1.00 0.00 N ATOM 0 H GLN A 37 3.624 3.685 -10.893 1.00 0.00 H new ATOM 0 HA GLN A 37 4.172 6.140 -12.424 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.782 4.294 -12.822 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.972 5.875 -13.554 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.764 5.151 -14.939 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.028 3.701 -13.991 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.911 4.751 -16.876 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.721 3.496 -17.236 1.00 0.00 H new ATOM 492 N LYS A 38 1.636 5.376 -10.433 1.00 0.00 N ATOM 493 CA LYS A 38 0.783 5.902 -9.373 1.00 0.00 C ATOM 494 C LYS A 38 1.538 5.967 -8.050 1.00 0.00 C ATOM 495 O LYS A 38 1.887 4.937 -7.471 1.00 0.00 O ATOM 496 CB LYS A 38 -0.468 5.036 -9.218 1.00 0.00 C ATOM 497 CG LYS A 38 -1.367 5.042 -10.442 1.00 0.00 C ATOM 498 CD LYS A 38 -2.302 3.842 -10.452 1.00 0.00 C ATOM 499 CE LYS A 38 -3.486 4.067 -11.379 1.00 0.00 C ATOM 500 NZ LYS A 38 -4.258 2.814 -11.607 1.00 0.00 N ATOM 0 H LYS A 38 1.404 4.428 -10.730 1.00 0.00 H new ATOM 0 HA LYS A 38 0.484 6.913 -9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.166 4.011 -9.005 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.038 5.386 -8.357 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.953 5.961 -10.460 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.755 5.036 -11.344 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -1.754 2.955 -10.769 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.661 3.651 -9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.142 4.825 -10.952 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.131 4.454 -12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -5.057 3.009 -12.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.639 2.098 -12.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.619 2.458 -10.699 1.00 0.00 H new ATOM 514 N GLN A 39 1.787 7.183 -7.575 1.00 0.00 N ATOM 515 CA GLN A 39 2.501 7.382 -6.319 1.00 0.00 C ATOM 516 C GLN A 39 1.526 7.478 -5.150 1.00 0.00 C ATOM 517 O GLN A 39 0.701 8.389 -5.091 1.00 0.00 O ATOM 518 CB GLN A 39 3.357 8.648 -6.390 1.00 0.00 C ATOM 519 CG GLN A 39 4.352 8.774 -5.247 1.00 0.00 C ATOM 520 CD GLN A 39 3.978 9.865 -4.264 1.00 0.00 C ATOM 521 OE1 GLN A 39 2.800 10.170 -4.074 1.00 0.00 O ATOM 522 NE2 GLN A 39 4.982 10.461 -3.632 1.00 0.00 N ATOM 0 H GLN A 39 1.505 8.045 -8.041 1.00 0.00 H new ATOM 0 HA GLN A 39 3.151 6.522 -6.158 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.899 8.658 -7.336 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.703 9.520 -6.389 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.416 7.822 -4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.342 8.981 -5.654 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.943 10.177 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.792 11.203 -2.959 1.00 0.00 H new ATOM 531 N GLY A 40 1.627 6.532 -4.223 1.00 0.00 N ATOM 532 CA GLY A 40 0.748 6.528 -3.068 1.00 0.00 C ATOM 533 C GLY A 40 1.439 6.026 -1.816 1.00 0.00 C ATOM 534 O GLY A 40 2.664 5.917 -1.775 1.00 0.00 O ATOM 0 H GLY A 40 2.302 5.768 -4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.377 7.538 -2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.119 5.901 -3.277 1.00 0.00 H new ATOM 538 N ILE A 41 0.649 5.718 -0.791 1.00 0.00 N ATOM 539 CA ILE A 41 1.191 5.225 0.468 1.00 0.00 C ATOM 540 C ILE A 41 0.453 3.975 0.931 1.00 0.00 C ATOM 541 O ILE A 41 -0.778 3.934 0.936 1.00 0.00 O ATOM 542 CB ILE A 41 1.107 6.295 1.574 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.656 7.630 1.065 1.00 0.00 C ATOM 544 CG2 ILE A 41 1.865 5.841 2.812 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.409 8.785 2.011 1.00 0.00 C ATOM 0 H ILE A 41 -0.367 5.802 -0.809 1.00 0.00 H new ATOM 0 HA ILE A 41 2.238 4.981 0.287 1.00 0.00 H new ATOM 0 HB ILE A 41 0.060 6.433 1.845 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.728 7.532 0.896 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.201 7.857 0.101 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.795 6.608 3.583 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.432 4.913 3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.912 5.676 2.558 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.825 9.699 1.586 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.337 8.910 2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.888 8.580 2.969 1.00 0.00 H new ATOM 557 N VAL A 42 1.211 2.955 1.321 1.00 0.00 N ATOM 558 CA VAL A 42 0.627 1.703 1.787 1.00 0.00 C ATOM 559 C VAL A 42 -0.246 1.929 3.016 1.00 0.00 C ATOM 560 O VAL A 42 0.223 2.429 4.038 1.00 0.00 O ATOM 561 CB VAL A 42 1.715 0.668 2.127 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.091 -0.688 2.419 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.728 0.565 0.995 1.00 0.00 C ATOM 0 H VAL A 42 2.231 2.971 1.323 1.00 0.00 H new ATOM 0 HA VAL A 42 0.012 1.318 0.973 1.00 0.00 H new ATOM 0 HB VAL A 42 2.239 1.001 3.023 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.876 -1.406 2.657 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.410 -0.600 3.266 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.539 -1.031 1.544 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.489 -0.171 1.254 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.221 0.257 0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.200 1.535 0.840 1.00 0.00 H new ATOM 573 N ARG A 43 -1.519 1.560 2.908 1.00 0.00 N ATOM 574 CA ARG A 43 -2.458 1.724 4.011 1.00 0.00 C ATOM 575 C ARG A 43 -2.736 0.388 4.692 1.00 0.00 C ATOM 576 O ARG A 43 -2.989 0.334 5.896 1.00 0.00 O ATOM 577 CB ARG A 43 -3.766 2.336 3.508 1.00 0.00 C ATOM 578 CG ARG A 43 -3.595 3.716 2.894 1.00 0.00 C ATOM 579 CD ARG A 43 -3.116 4.731 3.921 1.00 0.00 C ATOM 580 NE ARG A 43 -4.141 5.727 4.225 1.00 0.00 N ATOM 581 CZ ARG A 43 -4.410 6.774 3.450 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.738 6.964 2.321 1.00 0.00 N ATOM 583 NH2 ARG A 43 -5.358 7.633 3.802 1.00 0.00 N ATOM 0 H ARG A 43 -1.923 1.146 2.068 1.00 0.00 H new ATOM 0 HA ARG A 43 -2.008 2.396 4.741 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -4.208 1.670 2.767 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.470 2.401 4.338 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.880 3.663 2.073 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.543 4.046 2.470 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.831 4.213 4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.223 5.232 3.547 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.682 5.613 5.082 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.011 6.305 2.043 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.949 7.769 1.731 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.880 7.490 4.667 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -5.565 8.436 3.208 1.00 0.00 H new ATOM 597 N PHE A 44 -2.688 -0.689 3.914 1.00 0.00 N ATOM 598 CA PHE A 44 -2.936 -2.025 4.443 1.00 0.00 C ATOM 599 C PHE A 44 -2.122 -3.070 3.689 1.00 0.00 C ATOM 600 O PHE A 44 -2.325 -3.287 2.494 1.00 0.00 O ATOM 601 CB PHE A 44 -4.426 -2.362 4.355 1.00 0.00 C ATOM 602 CG PHE A 44 -4.786 -3.667 5.006 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.625 -4.863 4.325 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.289 -3.698 6.296 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.956 -6.066 4.920 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.622 -4.897 6.897 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.456 -6.082 6.208 1.00 0.00 C ATOM 0 H PHE A 44 -2.480 -0.662 2.916 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.628 -2.037 5.488 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.999 -1.562 4.823 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.721 -2.395 3.306 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.236 -4.855 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.423 -2.774 6.839 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.824 -6.992 4.379 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.012 -4.907 7.904 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.717 -7.020 6.675 1.00 0.00 H new ATOM 617 N TYR A 45 -1.199 -3.717 4.394 1.00 0.00 N ATOM 618 CA TYR A 45 -0.353 -4.740 3.792 1.00 0.00 C ATOM 619 C TYR A 45 -0.637 -6.109 4.402 1.00 0.00 C ATOM 620 O TYR A 45 -0.541 -6.290 5.617 1.00 0.00 O ATOM 621 CB TYR A 45 1.123 -4.383 3.974 1.00 0.00 C ATOM 622 CG TYR A 45 2.069 -5.382 3.346 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.901 -5.794 2.030 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.129 -5.914 4.069 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.763 -6.707 1.453 1.00 0.00 C ATOM 626 CE2 TYR A 45 3.996 -6.826 3.499 1.00 0.00 C ATOM 627 CZ TYR A 45 3.808 -7.220 2.191 1.00 0.00 C ATOM 628 OH TYR A 45 4.668 -8.130 1.619 1.00 0.00 O ATOM 0 H TYR A 45 -1.018 -3.550 5.384 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.580 -4.783 2.727 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.306 -3.400 3.541 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.341 -4.308 5.039 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.083 -5.394 1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.278 -5.609 5.094 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.619 -7.017 0.429 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.817 -7.228 4.075 1.00 0.00 H new ATOM 0 HH TYR A 45 5.350 -8.392 2.273 1.00 0.00 H new ATOM 638 N GLY A 46 -0.987 -7.070 3.552 1.00 0.00 N ATOM 639 CA GLY A 46 -1.278 -8.409 4.028 1.00 0.00 C ATOM 640 C GLY A 46 -1.863 -9.294 2.945 1.00 0.00 C ATOM 641 O GLY A 46 -1.555 -9.129 1.765 1.00 0.00 O ATOM 0 H GLY A 46 -1.074 -6.945 2.543 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.363 -8.863 4.409 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.977 -8.351 4.863 1.00 0.00 H new ATOM 645 N LYS A 47 -2.710 -10.237 3.347 1.00 0.00 N ATOM 646 CA LYS A 47 -3.339 -11.152 2.403 1.00 0.00 C ATOM 647 C LYS A 47 -4.756 -10.699 2.065 1.00 0.00 C ATOM 648 O LYS A 47 -5.333 -9.861 2.758 1.00 0.00 O ATOM 649 CB LYS A 47 -3.369 -12.570 2.978 1.00 0.00 C ATOM 650 CG LYS A 47 -2.174 -13.417 2.569 1.00 0.00 C ATOM 651 CD LYS A 47 -2.579 -14.856 2.297 1.00 0.00 C ATOM 652 CE LYS A 47 -1.366 -15.742 2.061 1.00 0.00 C ATOM 653 NZ LYS A 47 -1.592 -16.708 0.951 1.00 0.00 N ATOM 0 H LYS A 47 -2.976 -10.387 4.320 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.748 -11.150 1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.407 -12.511 4.066 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.284 -13.066 2.653 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.714 -12.992 1.677 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.422 -13.392 3.358 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.152 -15.239 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.232 -14.892 1.425 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -0.501 -15.120 1.830 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -1.131 -16.288 2.975 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.686 -17.137 0.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.246 -17.453 1.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.002 -16.210 0.135 1.00 0.00 H new ATOM 667 N THR A 48 -5.310 -11.257 0.994 1.00 0.00 N ATOM 668 CA THR A 48 -6.660 -10.911 0.562 1.00 0.00 C ATOM 669 C THR A 48 -7.495 -12.167 0.334 1.00 0.00 C ATOM 670 O THR A 48 -7.038 -13.282 0.585 1.00 0.00 O ATOM 671 CB THR A 48 -6.609 -10.076 -0.719 1.00 0.00 C ATOM 672 OG1 THR A 48 -6.328 -10.895 -1.840 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.568 -8.978 -0.678 1.00 0.00 C ATOM 0 H THR A 48 -4.845 -11.951 0.409 1.00 0.00 H new ATOM 0 HA THR A 48 -7.130 -10.323 1.351 1.00 0.00 H new ATOM 0 HB THR A 48 -7.594 -9.616 -0.803 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.749 -11.637 -1.566 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.585 -8.425 -1.617 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.787 -8.300 0.147 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.581 -9.418 -0.534 1.00 0.00 H new ATOM 681 N ASP A 49 -8.722 -11.978 -0.142 1.00 0.00 N ATOM 682 CA ASP A 49 -9.621 -13.098 -0.401 1.00 0.00 C ATOM 683 C ASP A 49 -9.888 -13.250 -1.897 1.00 0.00 C ATOM 684 O ASP A 49 -10.066 -14.361 -2.395 1.00 0.00 O ATOM 685 CB ASP A 49 -10.940 -12.903 0.349 1.00 0.00 C ATOM 686 CG ASP A 49 -11.065 -13.825 1.548 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.759 -15.027 1.404 1.00 0.00 O ATOM 688 OD2 ASP A 49 -11.466 -13.343 2.627 1.00 0.00 O ATOM 0 H ASP A 49 -9.116 -11.062 -0.356 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.139 -14.008 -0.044 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -11.017 -11.868 0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.772 -13.082 -0.332 1.00 0.00 H new ATOM 693 N PHE A 50 -9.917 -12.126 -2.606 1.00 0.00 N ATOM 694 CA PHE A 50 -10.165 -12.137 -4.044 1.00 0.00 C ATOM 695 C PHE A 50 -9.011 -12.795 -4.793 1.00 0.00 C ATOM 696 O PHE A 50 -9.207 -13.399 -5.847 1.00 0.00 O ATOM 697 CB PHE A 50 -10.377 -10.712 -4.559 1.00 0.00 C ATOM 698 CG PHE A 50 -9.302 -9.754 -4.133 1.00 0.00 C ATOM 699 CD1 PHE A 50 -8.028 -9.840 -4.669 1.00 0.00 C ATOM 700 CD2 PHE A 50 -9.566 -8.766 -3.199 1.00 0.00 C ATOM 701 CE1 PHE A 50 -7.037 -8.959 -4.282 1.00 0.00 C ATOM 702 CE2 PHE A 50 -8.580 -7.881 -2.807 1.00 0.00 C ATOM 703 CZ PHE A 50 -7.313 -7.978 -3.349 1.00 0.00 C ATOM 0 H PHE A 50 -9.772 -11.197 -2.209 1.00 0.00 H new ATOM 0 HA PHE A 50 -11.069 -12.719 -4.225 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.425 -10.731 -5.648 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -11.340 -10.346 -4.204 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.807 -10.605 -5.398 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -10.555 -8.686 -2.772 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.048 -9.037 -4.708 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.799 -7.115 -2.078 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.540 -7.288 -3.044 1.00 0.00 H new ATOM 713 N ALA A 51 -7.807 -12.674 -4.244 1.00 0.00 N ATOM 714 CA ALA A 51 -6.624 -13.257 -4.865 1.00 0.00 C ATOM 715 C ALA A 51 -5.601 -13.681 -3.813 1.00 0.00 C ATOM 716 O ALA A 51 -5.468 -13.039 -2.770 1.00 0.00 O ATOM 717 CB ALA A 51 -6.001 -12.272 -5.841 1.00 0.00 C ATOM 0 H ALA A 51 -7.625 -12.178 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.934 -14.148 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -5.119 -12.721 -6.297 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.724 -12.023 -6.618 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.713 -11.365 -5.309 1.00 0.00 H new ATOM 723 N PRO A 52 -4.860 -14.773 -4.073 1.00 0.00 N ATOM 724 CA PRO A 52 -3.847 -15.279 -3.143 1.00 0.00 C ATOM 725 C PRO A 52 -2.583 -14.426 -3.142 1.00 0.00 C ATOM 726 O PRO A 52 -2.502 -13.419 -3.845 1.00 0.00 O ATOM 727 CB PRO A 52 -3.547 -16.677 -3.682 1.00 0.00 C ATOM 728 CG PRO A 52 -3.823 -16.581 -5.143 1.00 0.00 C ATOM 729 CD PRO A 52 -4.955 -15.601 -5.292 1.00 0.00 C ATOM 0 HA PRO A 52 -4.196 -15.268 -2.111 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.512 -16.962 -3.491 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.177 -17.429 -3.208 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.940 -16.241 -5.685 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.094 -17.554 -5.553 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.848 -14.999 -6.195 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.918 -16.108 -5.359 1.00 0.00 H new ATOM 737 N GLY A 53 -1.599 -14.835 -2.347 1.00 0.00 N ATOM 738 CA GLY A 53 -0.352 -14.098 -2.270 1.00 0.00 C ATOM 739 C GLY A 53 -0.473 -12.837 -1.435 1.00 0.00 C ATOM 740 O GLY A 53 -1.464 -12.642 -0.732 1.00 0.00 O ATOM 0 H GLY A 53 -1.644 -15.664 -1.755 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.420 -14.739 -1.844 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.027 -13.834 -3.276 1.00 0.00 H new ATOM 744 N TYR A 54 0.540 -11.980 -1.512 1.00 0.00 N ATOM 745 CA TYR A 54 0.545 -10.732 -0.757 1.00 0.00 C ATOM 746 C TYR A 54 0.174 -9.554 -1.652 1.00 0.00 C ATOM 747 O TYR A 54 0.449 -9.562 -2.852 1.00 0.00 O ATOM 748 CB TYR A 54 1.919 -10.497 -0.129 1.00 0.00 C ATOM 749 CG TYR A 54 2.150 -11.289 1.139 1.00 0.00 C ATOM 750 CD1 TYR A 54 1.275 -11.188 2.212 1.00 0.00 C ATOM 751 CD2 TYR A 54 3.244 -12.137 1.260 1.00 0.00 C ATOM 752 CE1 TYR A 54 1.482 -11.911 3.372 1.00 0.00 C ATOM 753 CE2 TYR A 54 3.457 -12.863 2.416 1.00 0.00 C ATOM 754 CZ TYR A 54 2.575 -12.746 3.469 1.00 0.00 C ATOM 755 OH TYR A 54 2.785 -13.466 4.622 1.00 0.00 O ATOM 0 H TYR A 54 1.368 -12.127 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.200 -10.812 0.035 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.690 -10.756 -0.855 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.032 -9.435 0.090 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.419 -10.534 2.139 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.938 -12.230 0.438 1.00 0.00 H new ATOM 0 HE1 TYR A 54 0.791 -11.822 4.198 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.311 -13.519 2.494 1.00 0.00 H new ATOM 0 HH TYR A 54 3.597 -14.006 4.527 1.00 0.00 H new ATOM 765 N TRP A 55 -0.453 -8.542 -1.060 1.00 0.00 N ATOM 766 CA TRP A 55 -0.861 -7.356 -1.803 1.00 0.00 C ATOM 767 C TRP A 55 -0.758 -6.107 -0.935 1.00 0.00 C ATOM 768 O TRP A 55 -0.797 -6.188 0.293 1.00 0.00 O ATOM 769 CB TRP A 55 -2.293 -7.519 -2.316 1.00 0.00 C ATOM 770 CG TRP A 55 -2.475 -8.718 -3.196 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.665 -10.008 -2.793 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.484 -8.738 -4.628 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.790 -10.829 -3.887 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.683 -10.074 -5.025 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.343 -7.757 -5.614 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.745 -10.452 -6.364 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.405 -8.133 -6.942 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.605 -9.470 -7.307 1.00 0.00 C ATOM 0 H TRP A 55 -0.689 -8.520 -0.068 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.188 -7.241 -2.653 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.970 -7.596 -1.465 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.577 -6.624 -2.870 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.710 -10.335 -1.765 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.938 -11.838 -3.857 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.188 -6.723 -5.342 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.898 -11.483 -6.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.297 -7.383 -7.712 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.650 -9.732 -8.354 1.00 0.00 H new ATOM 789 N TYR A 56 -0.624 -4.952 -1.579 1.00 0.00 N ATOM 790 CA TYR A 56 -0.514 -3.686 -0.865 1.00 0.00 C ATOM 791 C TYR A 56 -1.767 -2.838 -1.062 1.00 0.00 C ATOM 792 O TYR A 56 -2.166 -2.556 -2.192 1.00 0.00 O ATOM 793 CB TYR A 56 0.718 -2.913 -1.341 1.00 0.00 C ATOM 794 CG TYR A 56 2.027 -3.543 -0.924 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.451 -4.745 -1.479 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.841 -2.936 0.025 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.647 -5.325 -1.099 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.039 -3.509 0.408 1.00 0.00 C ATOM 799 CZ TYR A 56 4.437 -4.702 -0.155 1.00 0.00 C ATOM 800 OH TYR A 56 5.629 -5.275 0.225 1.00 0.00 O ATOM 0 H TYR A 56 -0.589 -4.867 -2.595 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.409 -3.906 0.197 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.691 -2.837 -2.428 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.673 -1.897 -0.949 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.836 -5.234 -2.220 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.532 -2.002 0.470 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.961 -6.260 -1.538 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.661 -3.024 1.146 1.00 0.00 H new ATOM 0 HH TYR A 56 5.459 -5.970 0.895 1.00 0.00 H new ATOM 810 N GLY A 57 -2.382 -2.433 0.044 1.00 0.00 N ATOM 811 CA GLY A 57 -3.581 -1.620 -0.029 1.00 0.00 C ATOM 812 C GLY A 57 -3.273 -0.136 -0.044 1.00 0.00 C ATOM 813 O GLY A 57 -3.700 0.603 0.844 1.00 0.00 O ATOM 0 H GLY A 57 -2.071 -2.654 0.990 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.140 -1.881 -0.928 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.223 -1.847 0.822 1.00 0.00 H new ATOM 817 N ILE A 58 -2.529 0.301 -1.054 1.00 0.00 N ATOM 818 CA ILE A 58 -2.163 1.706 -1.181 1.00 0.00 C ATOM 819 C ILE A 58 -3.357 2.546 -1.623 1.00 0.00 C ATOM 820 O ILE A 58 -4.121 2.145 -2.501 1.00 0.00 O ATOM 821 CB ILE A 58 -1.014 1.900 -2.189 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.139 0.944 -1.872 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.532 3.343 -2.175 1.00 0.00 C ATOM 824 CD1 ILE A 58 1.076 0.719 -3.039 1.00 0.00 C ATOM 0 H ILE A 58 -2.168 -0.298 -1.797 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.832 2.036 -0.196 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.386 1.673 -3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.708 1.340 -1.031 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.271 -0.015 -1.556 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.280 3.462 -2.893 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.355 4.004 -2.445 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.174 3.598 -1.177 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.868 0.032 -2.742 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.521 0.294 -3.875 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.515 1.670 -3.342 1.00 0.00 H new ATOM 836 N GLU A 59 -3.510 3.714 -1.007 1.00 0.00 N ATOM 837 CA GLU A 59 -4.611 4.612 -1.336 1.00 0.00 C ATOM 838 C GLU A 59 -4.123 5.780 -2.187 1.00 0.00 C ATOM 839 O GLU A 59 -3.107 6.403 -1.878 1.00 0.00 O ATOM 840 CB GLU A 59 -5.268 5.135 -0.057 1.00 0.00 C ATOM 841 CG GLU A 59 -6.444 6.063 -0.313 1.00 0.00 C ATOM 842 CD GLU A 59 -6.120 7.513 -0.012 1.00 0.00 C ATOM 843 OE1 GLU A 59 -5.033 7.975 -0.418 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.953 8.187 0.629 1.00 0.00 O ATOM 0 H GLU A 59 -2.886 4.060 -0.278 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.348 4.051 -1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.607 4.288 0.540 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.521 5.663 0.535 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.753 5.972 -1.354 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.290 5.749 0.299 1.00 0.00 H new ATOM 851 N LEU A 60 -4.854 6.071 -3.258 1.00 0.00 N ATOM 852 CA LEU A 60 -4.496 7.165 -4.153 1.00 0.00 C ATOM 853 C LEU A 60 -5.112 8.478 -3.681 1.00 0.00 C ATOM 854 O LEU A 60 -5.884 8.504 -2.722 1.00 0.00 O ATOM 855 CB LEU A 60 -4.956 6.855 -5.579 1.00 0.00 C ATOM 856 CG LEU A 60 -4.292 5.638 -6.222 1.00 0.00 C ATOM 857 CD1 LEU A 60 -5.061 5.205 -7.461 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.844 5.943 -6.571 1.00 0.00 C ATOM 0 H LEU A 60 -5.698 5.565 -3.527 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.411 7.270 -4.143 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.035 6.699 -5.571 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.764 7.727 -6.204 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.306 4.818 -5.504 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.574 4.337 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.082 4.945 -7.183 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.078 6.022 -8.183 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.387 5.065 -7.028 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.807 6.777 -7.271 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.299 6.205 -5.664 1.00 0.00 H new ATOM 870 N ASP A 61 -4.764 9.566 -4.361 1.00 0.00 N ATOM 871 CA ASP A 61 -5.284 10.883 -4.011 1.00 0.00 C ATOM 872 C ASP A 61 -6.422 11.286 -4.943 1.00 0.00 C ATOM 873 O ASP A 61 -7.336 12.007 -4.547 1.00 0.00 O ATOM 874 CB ASP A 61 -4.166 11.927 -4.070 1.00 0.00 C ATOM 875 CG ASP A 61 -3.541 12.181 -2.712 1.00 0.00 C ATOM 876 OD1 ASP A 61 -4.279 12.159 -1.705 1.00 0.00 O ATOM 877 OD2 ASP A 61 -2.313 12.403 -2.656 1.00 0.00 O ATOM 0 H ASP A 61 -4.125 9.562 -5.156 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.673 10.834 -2.994 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.396 11.592 -4.765 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.566 12.862 -4.464 1.00 0.00 H new ATOM 882 N GLN A 62 -6.359 10.813 -6.185 1.00 0.00 N ATOM 883 CA GLN A 62 -7.385 11.126 -7.172 1.00 0.00 C ATOM 884 C GLN A 62 -8.281 9.916 -7.430 1.00 0.00 C ATOM 885 O GLN A 62 -7.859 8.773 -7.255 1.00 0.00 O ATOM 886 CB GLN A 62 -6.742 11.586 -8.482 1.00 0.00 C ATOM 887 CG GLN A 62 -5.654 12.632 -8.290 1.00 0.00 C ATOM 888 CD GLN A 62 -6.124 14.032 -8.638 1.00 0.00 C ATOM 889 OE1 GLN A 62 -5.493 14.731 -9.430 1.00 0.00 O ATOM 890 NE2 GLN A 62 -7.238 14.446 -8.046 1.00 0.00 N ATOM 0 H GLN A 62 -5.610 10.213 -6.530 1.00 0.00 H new ATOM 0 HA GLN A 62 -8.000 11.933 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.318 10.721 -8.992 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.515 11.993 -9.134 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.316 12.613 -7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.795 12.376 -8.911 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.729 13.832 -7.396 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.603 15.378 -8.241 1.00 0.00 H new ATOM 899 N PRO A 63 -9.535 10.155 -7.850 1.00 0.00 N ATOM 900 CA PRO A 63 -10.492 9.082 -8.129 1.00 0.00 C ATOM 901 C PRO A 63 -10.205 8.379 -9.453 1.00 0.00 C ATOM 902 O PRO A 63 -11.010 8.430 -10.383 1.00 0.00 O ATOM 903 CB PRO A 63 -11.830 9.818 -8.189 1.00 0.00 C ATOM 904 CG PRO A 63 -11.481 11.191 -8.650 1.00 0.00 C ATOM 905 CD PRO A 63 -10.120 11.491 -8.081 1.00 0.00 C ATOM 0 HA PRO A 63 -10.456 8.292 -7.379 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.520 9.331 -8.878 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.316 9.838 -7.213 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.468 11.245 -9.739 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -12.217 11.917 -8.303 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.517 12.078 -8.774 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -10.190 12.063 -7.156 1.00 0.00 H new ATOM 913 N THR A 64 -9.052 7.722 -9.530 1.00 0.00 N ATOM 914 CA THR A 64 -8.659 7.008 -10.740 1.00 0.00 C ATOM 915 C THR A 64 -7.841 5.767 -10.398 1.00 0.00 C ATOM 916 O THR A 64 -6.880 5.433 -11.093 1.00 0.00 O ATOM 917 CB THR A 64 -7.854 7.927 -11.661 1.00 0.00 C ATOM 918 OG1 THR A 64 -7.445 7.235 -12.827 1.00 0.00 O ATOM 919 CG2 THR A 64 -6.614 8.496 -11.005 1.00 0.00 C ATOM 0 H THR A 64 -8.374 7.669 -8.770 1.00 0.00 H new ATOM 0 HA THR A 64 -9.566 6.692 -11.256 1.00 0.00 H new ATOM 0 HB THR A 64 -8.525 8.750 -11.906 1.00 0.00 H new ATOM 0 HG1 THR A 64 -7.016 6.391 -12.573 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.090 9.138 -11.713 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.900 9.079 -10.129 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.957 7.681 -10.700 1.00 0.00 H new ATOM 927 N GLY A 65 -8.228 5.086 -9.324 1.00 0.00 N ATOM 928 CA GLY A 65 -7.520 3.889 -8.909 1.00 0.00 C ATOM 929 C GLY A 65 -8.029 2.642 -9.604 1.00 0.00 C ATOM 930 O GLY A 65 -7.847 2.479 -10.811 1.00 0.00 O ATOM 0 H GLY A 65 -9.019 5.342 -8.734 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.457 4.009 -9.118 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.621 3.767 -7.831 1.00 0.00 H new ATOM 934 N LYS A 66 -8.668 1.760 -8.842 1.00 0.00 N ATOM 935 CA LYS A 66 -9.205 0.521 -9.393 1.00 0.00 C ATOM 936 C LYS A 66 -10.472 0.101 -8.654 1.00 0.00 C ATOM 937 O LYS A 66 -11.479 -0.240 -9.273 1.00 0.00 O ATOM 938 CB LYS A 66 -8.158 -0.593 -9.314 1.00 0.00 C ATOM 939 CG LYS A 66 -7.993 -1.365 -10.613 1.00 0.00 C ATOM 940 CD LYS A 66 -6.546 -1.772 -10.839 1.00 0.00 C ATOM 941 CE LYS A 66 -6.197 -1.792 -12.318 1.00 0.00 C ATOM 942 NZ LYS A 66 -6.491 -3.112 -12.942 1.00 0.00 N ATOM 0 H LYS A 66 -8.826 1.880 -7.842 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.459 0.697 -10.438 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.198 -0.159 -9.034 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -8.437 -1.287 -8.521 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.623 -2.254 -10.592 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.334 -0.752 -11.447 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -5.886 -1.078 -10.318 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -6.373 -2.759 -10.410 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.759 -1.014 -12.834 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -5.140 -1.558 -12.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.239 -3.083 -13.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.935 -3.852 -12.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.505 -3.324 -12.845 1.00 0.00 H new ATOM 956 N HIS A 67 -10.413 0.129 -7.327 1.00 0.00 N ATOM 957 CA HIS A 67 -11.556 -0.248 -6.503 1.00 0.00 C ATOM 958 C HIS A 67 -11.660 0.650 -5.275 1.00 0.00 C ATOM 959 O HIS A 67 -10.888 1.597 -5.118 1.00 0.00 O ATOM 960 CB HIS A 67 -11.440 -1.711 -6.071 1.00 0.00 C ATOM 961 CG HIS A 67 -10.232 -1.994 -5.233 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.258 -2.107 -3.862 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.939 -2.190 -5.600 1.00 0.00 C ATOM 964 CE1 HIS A 67 -9.011 -2.360 -3.445 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.172 -2.422 -4.462 1.00 0.00 N ATOM 0 H HIS A 67 -9.586 0.409 -6.799 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.459 -0.124 -7.100 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.333 -1.988 -5.511 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.412 -2.342 -6.959 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -11.082 -2.014 -3.268 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.566 -2.169 -6.613 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.729 -2.496 -2.411 1.00 0.00 H new ATOM 973 N ASP A 68 -12.619 0.347 -4.405 1.00 0.00 N ATOM 974 CA ASP A 68 -12.822 1.128 -3.191 1.00 0.00 C ATOM 975 C ASP A 68 -11.980 0.576 -2.043 1.00 0.00 C ATOM 976 O ASP A 68 -11.107 -0.265 -2.250 1.00 0.00 O ATOM 977 CB ASP A 68 -14.303 1.128 -2.802 1.00 0.00 C ATOM 978 CG ASP A 68 -14.798 2.508 -2.413 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.483 2.957 -1.291 1.00 0.00 O ATOM 980 OD2 ASP A 68 -15.498 3.139 -3.232 1.00 0.00 O ATOM 0 H ASP A 68 -13.267 -0.433 -4.519 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.506 2.152 -3.389 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.895 0.754 -3.637 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.457 0.441 -1.970 1.00 0.00 H new ATOM 985 N GLY A 69 -12.250 1.056 -0.833 1.00 0.00 N ATOM 986 CA GLY A 69 -11.508 0.600 0.327 1.00 0.00 C ATOM 987 C GLY A 69 -11.710 -0.877 0.600 1.00 0.00 C ATOM 988 O GLY A 69 -10.838 -1.534 1.170 1.00 0.00 O ATOM 0 H GLY A 69 -12.969 1.752 -0.636 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.447 0.797 0.176 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.817 1.174 1.201 1.00 0.00 H new ATOM 992 N SER A 70 -12.862 -1.402 0.195 1.00 0.00 N ATOM 993 CA SER A 70 -13.175 -2.811 0.401 1.00 0.00 C ATOM 994 C SER A 70 -13.342 -3.532 -0.933 1.00 0.00 C ATOM 995 O SER A 70 -13.796 -2.944 -1.915 1.00 0.00 O ATOM 996 CB SER A 70 -14.449 -2.955 1.235 1.00 0.00 C ATOM 997 OG SER A 70 -15.432 -2.018 0.831 1.00 0.00 O ATOM 0 H SER A 70 -13.594 -0.872 -0.278 1.00 0.00 H new ATOM 0 HA SER A 70 -12.344 -3.267 0.938 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.842 -3.966 1.132 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.215 -2.810 2.290 1.00 0.00 H new ATOM 0 HG SER A 70 -16.237 -2.132 1.378 1.00 0.00 H new ATOM 1003 N VAL A 71 -12.973 -4.808 -0.960 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.083 -5.610 -2.172 1.00 0.00 C ATOM 1005 C VAL A 71 -13.854 -6.900 -1.909 1.00 0.00 C ATOM 1006 O VAL A 71 -13.449 -7.719 -1.085 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.694 -5.962 -2.742 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.829 -6.663 -4.086 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.835 -4.712 -2.868 1.00 0.00 C ATOM 0 H VAL A 71 -12.595 -5.309 -0.156 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.625 -5.008 -2.902 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.201 -6.645 -2.050 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.838 -6.903 -4.472 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.403 -7.581 -3.961 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.343 -6.007 -4.789 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.859 -4.981 -3.272 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.322 -4.002 -3.537 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.709 -4.257 -1.886 1.00 0.00 H new ATOM 1019 N PHE A 72 -14.967 -7.072 -2.614 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.795 -8.261 -2.456 1.00 0.00 C ATOM 1021 C PHE A 72 -16.311 -8.378 -1.026 1.00 0.00 C ATOM 1022 O PHE A 72 -16.521 -9.480 -0.519 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.001 -9.515 -2.827 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.854 -9.714 -4.309 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -14.343 -8.706 -5.110 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -15.226 -10.911 -4.901 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -14.207 -8.886 -6.474 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -15.092 -11.097 -6.263 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.583 -10.083 -7.051 1.00 0.00 C ATOM 0 H PHE A 72 -15.316 -6.403 -3.300 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.650 -8.169 -3.126 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.010 -9.455 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.494 -10.388 -2.398 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -14.047 -7.768 -4.664 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -15.625 -11.707 -4.290 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -13.807 -8.092 -7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -15.385 -12.035 -6.712 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.479 -10.226 -8.116 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.514 -7.234 -0.380 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.004 -7.231 0.986 1.00 0.00 C ATOM 1041 C GLY A 73 -15.886 -7.143 2.010 1.00 0.00 C ATOM 1042 O GLY A 73 -16.131 -6.844 3.179 1.00 0.00 O ATOM 0 H GLY A 73 -16.348 -6.310 -0.778 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.683 -6.389 1.122 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.582 -8.138 1.162 1.00 0.00 H new ATOM 1046 N VAL A 74 -14.659 -7.406 1.572 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.505 -7.355 2.462 1.00 0.00 C ATOM 1048 C VAL A 74 -12.918 -5.948 2.523 1.00 0.00 C ATOM 1049 O VAL A 74 -12.378 -5.447 1.537 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.405 -8.337 2.014 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.285 -8.392 3.041 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -12.989 -9.723 1.776 1.00 0.00 C ATOM 0 H VAL A 74 -14.439 -7.656 0.608 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.858 -7.643 3.452 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.986 -7.978 1.074 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.518 -9.091 2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.847 -7.400 3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.686 -8.724 3.999 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.197 -10.402 1.460 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.437 -10.092 2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.751 -9.668 0.999 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.026 -5.318 3.688 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.504 -3.970 3.879 1.00 0.00 C ATOM 1064 C ARG A 75 -11.101 -4.013 4.478 1.00 0.00 C ATOM 1065 O ARG A 75 -10.914 -4.456 5.611 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.436 -3.163 4.785 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.090 -1.684 4.846 1.00 0.00 C ATOM 1068 CD ARG A 75 -14.041 -0.924 5.758 1.00 0.00 C ATOM 1069 NE ARG A 75 -15.054 -0.188 5.003 1.00 0.00 N ATOM 1070 CZ ARG A 75 -16.231 -0.697 4.643 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -16.554 -1.944 4.964 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -17.090 0.045 3.957 1.00 0.00 N ATOM 0 H ARG A 75 -13.470 -5.719 4.514 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.449 -3.485 2.905 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.461 -3.274 4.430 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.400 -3.578 5.792 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.067 -1.563 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.129 -1.259 3.843 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.531 -1.624 6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.473 -0.228 6.375 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.847 0.774 4.736 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.898 -2.521 5.491 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -17.458 -2.325 4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.849 1.004 3.706 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.992 -0.343 3.680 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.120 -3.555 3.708 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.734 -3.544 4.161 1.00 0.00 C ATOM 1088 C TYR A 76 -8.353 -2.177 4.721 1.00 0.00 C ATOM 1089 O TYR A 76 -7.575 -2.080 5.671 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.798 -3.916 3.011 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.212 -5.170 2.274 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.184 -5.127 1.284 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.629 -6.395 2.569 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.566 -6.271 0.608 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.004 -7.544 1.897 1.00 0.00 C ATOM 1096 CZ TYR A 76 -8.973 -7.476 0.919 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.349 -8.617 0.249 1.00 0.00 O ATOM 0 H TYR A 76 -10.259 -3.186 2.767 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.633 -4.282 4.957 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.756 -3.087 2.305 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.790 -4.051 3.403 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.650 -4.184 1.038 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.870 -6.452 3.336 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.325 -6.221 -0.159 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.540 -8.489 2.137 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.301 -8.460 -0.717 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.904 -1.124 4.129 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.619 0.236 4.569 1.00 0.00 C ATOM 1109 C PHE A 77 -9.666 1.213 4.041 1.00 0.00 C ATOM 1110 O PHE A 77 -10.363 0.924 3.069 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.227 0.665 4.105 1.00 0.00 C ATOM 1112 CG PHE A 77 -7.049 0.616 2.614 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.635 -0.550 1.990 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.296 1.737 1.836 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.470 -0.598 0.618 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -7.133 1.694 0.465 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.720 0.526 -0.145 1.00 0.00 C ATOM 0 H PHE A 77 -9.551 -1.186 3.343 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.652 0.250 5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.034 1.680 4.453 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.483 0.021 4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.439 -1.432 2.582 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.619 2.654 2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.146 -1.513 0.144 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.329 2.574 -0.130 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.593 0.491 -1.217 1.00 0.00 H new ATOM 1127 N THR A 78 -9.770 2.367 4.690 1.00 0.00 N ATOM 1128 CA THR A 78 -10.730 3.388 4.286 1.00 0.00 C ATOM 1129 C THR A 78 -10.133 4.308 3.227 1.00 0.00 C ATOM 1130 O THR A 78 -8.957 4.668 3.295 1.00 0.00 O ATOM 1131 CB THR A 78 -11.175 4.207 5.497 1.00 0.00 C ATOM 1132 OG1 THR A 78 -11.610 3.357 6.545 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.303 5.168 5.190 1.00 0.00 C ATOM 0 H THR A 78 -9.201 2.619 5.498 1.00 0.00 H new ATOM 0 HA THR A 78 -11.597 2.886 3.857 1.00 0.00 H new ATOM 0 HB THR A 78 -10.298 4.784 5.792 1.00 0.00 H new ATOM 0 HG1 THR A 78 -11.889 3.900 7.312 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.569 5.717 6.093 1.00 0.00 H new ATOM 0 HG22 THR A 78 -11.984 5.870 4.420 1.00 0.00 H new ATOM 0 HG23 THR A 78 -13.170 4.610 4.836 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.949 4.686 2.249 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.501 5.565 1.176 1.00 0.00 C ATOM 1143 C CYS A 79 -11.689 6.142 0.413 1.00 0.00 C ATOM 1144 O CYS A 79 -12.842 5.915 0.777 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.583 4.806 0.216 1.00 0.00 C ATOM 1146 SG CYS A 79 -10.390 3.441 -0.652 1.00 0.00 S ATOM 0 H CYS A 79 -11.925 4.397 2.178 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.945 6.389 1.624 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.186 5.506 -0.519 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.733 4.415 0.776 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.534 2.862 -1.441 1.00 0.00 H new ATOM 1152 N ALA A 80 -11.398 6.888 -0.647 1.00 0.00 N ATOM 1153 CA ALA A 80 -12.443 7.498 -1.461 1.00 0.00 C ATOM 1154 C ALA A 80 -12.756 6.642 -2.685 1.00 0.00 C ATOM 1155 O ALA A 80 -12.003 5.728 -3.022 1.00 0.00 O ATOM 1156 CB ALA A 80 -12.030 8.899 -1.887 1.00 0.00 C ATOM 0 H ALA A 80 -10.448 7.085 -0.962 1.00 0.00 H new ATOM 0 HA ALA A 80 -13.347 7.565 -0.856 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.819 9.342 -2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.864 9.514 -1.003 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -11.111 8.846 -2.470 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.876 6.928 -3.370 1.00 0.00 N ATOM 1163 CA PRO A 81 -14.286 6.180 -4.563 1.00 0.00 C ATOM 1164 C PRO A 81 -13.181 6.114 -5.613 1.00 0.00 C ATOM 1165 O PRO A 81 -12.713 7.141 -6.100 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.480 6.976 -5.094 1.00 0.00 C ATOM 1167 CG PRO A 81 -16.018 7.693 -3.905 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.830 8.003 -3.037 1.00 0.00 C ATOM 0 HA PRO A 81 -14.521 5.142 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.175 7.675 -5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.231 6.318 -5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.535 8.606 -4.201 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.741 7.076 -3.371 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.418 8.988 -3.256 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.092 7.995 -1.979 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.769 4.897 -5.955 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.719 4.696 -6.946 1.00 0.00 C ATOM 1178 C ARG A 82 -10.403 5.311 -6.479 1.00 0.00 C ATOM 1179 O ARG A 82 -9.865 6.216 -7.118 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.135 5.302 -8.290 1.00 0.00 C ATOM 1181 CG ARG A 82 -12.842 4.318 -9.208 1.00 0.00 C ATOM 1182 CD ARG A 82 -13.300 4.986 -10.494 1.00 0.00 C ATOM 1183 NE ARG A 82 -12.184 5.254 -11.399 1.00 0.00 N ATOM 1184 CZ ARG A 82 -11.623 4.331 -12.178 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -12.071 3.081 -12.166 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -10.611 4.658 -12.969 1.00 0.00 N ATOM 0 H ARG A 82 -13.147 4.036 -5.560 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.571 3.623 -7.070 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.792 6.153 -8.108 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.249 5.686 -8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.170 3.493 -9.445 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.702 3.891 -8.692 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.028 4.348 -10.995 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.807 5.921 -10.256 1.00 0.00 H new ATOM 0 HE ARG A 82 -11.813 6.203 -11.436 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.849 2.824 -11.558 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -11.638 2.378 -12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.262 5.616 -12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.181 3.951 -13.566 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.889 4.814 -5.359 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.635 5.314 -4.804 1.00 0.00 C ATOM 1202 C HIS A 83 -7.692 4.163 -4.469 1.00 0.00 C ATOM 1203 O HIS A 83 -6.529 4.163 -4.873 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.904 6.148 -3.552 1.00 0.00 C ATOM 1205 CG HIS A 83 -9.178 7.592 -3.842 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.588 8.636 -3.166 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.999 8.158 -4.763 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -9.060 9.779 -3.683 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.919 9.543 -4.657 1.00 0.00 N ATOM 0 H HIS A 83 -10.321 4.065 -4.817 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.159 5.944 -5.556 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.756 5.725 -3.020 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -8.044 6.076 -2.886 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.912 8.554 -2.407 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.616 7.619 -5.466 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.775 10.765 -3.346 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.200 3.185 -3.728 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.390 2.042 -3.352 1.00 0.00 C ATOM 1219 C GLY A 84 -6.943 1.228 -4.549 1.00 0.00 C ATOM 1220 O GLY A 84 -7.688 1.075 -5.518 1.00 0.00 O ATOM 0 H GLY A 84 -9.159 3.163 -3.381 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.513 2.387 -2.804 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.959 1.404 -2.675 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.723 0.704 -4.484 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.177 -0.099 -5.572 1.00 0.00 C ATOM 1226 C VAL A 85 -4.274 -1.205 -5.037 1.00 0.00 C ATOM 1227 O VAL A 85 -3.252 -0.935 -4.405 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.377 0.767 -6.563 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.316 1.581 -7.439 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.408 1.674 -5.819 1.00 0.00 C ATOM 0 H VAL A 85 -5.094 0.821 -3.690 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.024 -0.544 -6.093 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.797 0.107 -7.208 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.733 2.187 -8.133 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.964 0.908 -8.001 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.925 2.232 -6.812 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.852 2.278 -6.536 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.964 2.328 -5.148 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.713 1.066 -5.240 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.657 -2.451 -5.296 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.880 -3.599 -4.840 1.00 0.00 C ATOM 1242 C PHE A 86 -2.956 -4.102 -5.944 1.00 0.00 C ATOM 1243 O PHE A 86 -3.404 -4.730 -6.904 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.814 -4.724 -4.388 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.160 -4.665 -2.927 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.164 -4.708 -1.964 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.479 -4.569 -2.519 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.479 -4.654 -0.619 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.801 -4.514 -1.176 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.800 -4.558 -0.225 1.00 0.00 C ATOM 0 H PHE A 86 -5.499 -2.692 -5.818 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.268 -3.282 -3.995 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.733 -4.680 -4.973 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.345 -5.684 -4.604 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.130 -4.785 -2.268 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.266 -4.537 -3.258 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.694 -4.687 0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.834 -4.437 -0.870 1.00 0.00 H new ATOM 0 HZ PHE A 86 -6.050 -4.517 0.825 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.665 -3.825 -5.800 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.678 -4.250 -6.784 1.00 0.00 C ATOM 1262 C ALA A 87 0.449 -5.043 -6.125 1.00 0.00 C ATOM 1263 O ALA A 87 0.864 -4.732 -5.009 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.115 -3.044 -7.521 1.00 0.00 C ATOM 0 H ALA A 87 -1.278 -3.308 -5.011 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.175 -4.902 -7.502 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.621 -3.376 -8.253 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.923 -2.520 -8.031 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.361 -2.371 -6.808 1.00 0.00 H new ATOM 1270 N PRO A 88 0.961 -6.086 -6.806 1.00 0.00 N ATOM 1271 CA PRO A 88 2.045 -6.919 -6.273 1.00 0.00 C ATOM 1272 C PRO A 88 3.301 -6.110 -5.967 1.00 0.00 C ATOM 1273 O PRO A 88 3.610 -5.142 -6.659 1.00 0.00 O ATOM 1274 CB PRO A 88 2.322 -7.923 -7.398 1.00 0.00 C ATOM 1275 CG PRO A 88 1.089 -7.923 -8.232 1.00 0.00 C ATOM 1276 CD PRO A 88 0.529 -6.533 -8.142 1.00 0.00 C ATOM 0 HA PRO A 88 1.765 -7.386 -5.329 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.193 -7.629 -7.983 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.527 -8.916 -6.998 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.317 -8.186 -9.265 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.371 -8.657 -7.867 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.921 -5.889 -8.929 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.557 -6.529 -8.237 1.00 0.00 H new ATOM 1284 N ALA A 89 4.022 -6.516 -4.922 1.00 0.00 N ATOM 1285 CA ALA A 89 5.247 -5.830 -4.529 1.00 0.00 C ATOM 1286 C ALA A 89 6.141 -5.612 -5.741 1.00 0.00 C ATOM 1287 O ALA A 89 6.581 -4.496 -6.013 1.00 0.00 O ATOM 1288 CB ALA A 89 5.982 -6.628 -3.461 1.00 0.00 C ATOM 0 H ALA A 89 3.778 -7.314 -4.336 1.00 0.00 H new ATOM 0 HA ALA A 89 4.984 -4.858 -4.113 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.894 -6.103 -3.178 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.342 -6.741 -2.586 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.237 -7.613 -3.853 1.00 0.00 H new ATOM 1294 N SER A 90 6.383 -6.692 -6.480 1.00 0.00 N ATOM 1295 CA SER A 90 7.199 -6.622 -7.682 1.00 0.00 C ATOM 1296 C SER A 90 6.621 -5.587 -8.638 1.00 0.00 C ATOM 1297 O SER A 90 7.335 -5.020 -9.465 1.00 0.00 O ATOM 1298 CB SER A 90 7.268 -7.991 -8.364 1.00 0.00 C ATOM 1299 OG SER A 90 8.485 -8.651 -8.061 1.00 0.00 O ATOM 0 H SER A 90 6.025 -7.623 -6.265 1.00 0.00 H new ATOM 0 HA SER A 90 8.210 -6.325 -7.403 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.427 -8.605 -8.040 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.176 -7.868 -9.443 1.00 0.00 H new ATOM 0 HG SER A 90 8.504 -9.523 -8.507 1.00 0.00 H new ATOM 1305 N ARG A 91 5.320 -5.331 -8.501 1.00 0.00 N ATOM 1306 CA ARG A 91 4.646 -4.350 -9.336 1.00 0.00 C ATOM 1307 C ARG A 91 4.735 -2.963 -8.703 1.00 0.00 C ATOM 1308 O ARG A 91 4.480 -1.953 -9.360 1.00 0.00 O ATOM 1309 CB ARG A 91 3.180 -4.741 -9.544 1.00 0.00 C ATOM 1310 CG ARG A 91 2.921 -5.444 -10.867 1.00 0.00 C ATOM 1311 CD ARG A 91 2.148 -4.556 -11.831 1.00 0.00 C ATOM 1312 NE ARG A 91 1.392 -5.338 -12.807 1.00 0.00 N ATOM 1313 CZ ARG A 91 0.224 -5.922 -12.545 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -0.326 -5.814 -11.343 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -0.396 -6.615 -13.492 1.00 0.00 N ATOM 0 H ARG A 91 4.717 -5.791 -7.819 1.00 0.00 H new ATOM 0 HA ARG A 91 5.141 -4.325 -10.307 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.867 -5.393 -8.728 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.562 -3.845 -9.491 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.870 -5.732 -11.318 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.361 -6.362 -10.688 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.465 -3.919 -11.269 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.842 -3.897 -12.353 1.00 0.00 H new ATOM 0 HE ARG A 91 1.782 -5.443 -13.744 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.146 -5.281 -10.612 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.221 -6.264 -11.149 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.022 -6.700 -14.419 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -1.291 -7.063 -13.293 1.00 0.00 H new ATOM 1329 N ILE A 92 5.101 -2.920 -7.420 1.00 0.00 N ATOM 1330 CA ILE A 92 5.226 -1.654 -6.707 1.00 0.00 C ATOM 1331 C ILE A 92 6.690 -1.323 -6.432 1.00 0.00 C ATOM 1332 O ILE A 92 7.546 -2.207 -6.425 1.00 0.00 O ATOM 1333 CB ILE A 92 4.458 -1.682 -5.371 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.019 -2.150 -5.594 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.477 -0.308 -4.718 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.293 -2.501 -4.314 1.00 0.00 C ATOM 0 H ILE A 92 5.314 -3.745 -6.859 1.00 0.00 H new ATOM 0 HA ILE A 92 4.795 -0.885 -7.348 1.00 0.00 H new ATOM 0 HB ILE A 92 4.951 -2.387 -4.702 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.467 -1.366 -6.112 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.026 -3.021 -6.249 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.930 -0.345 -3.776 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.508 -0.010 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.006 0.417 -5.382 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.279 -2.824 -4.548 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.822 -3.306 -3.805 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.254 -1.625 -3.666 1.00 0.00 H new ATOM 1348 N GLN A 93 6.971 -0.044 -6.207 1.00 0.00 N ATOM 1349 CA GLN A 93 8.332 0.404 -5.934 1.00 0.00 C ATOM 1350 C GLN A 93 8.398 1.174 -4.618 1.00 0.00 C ATOM 1351 O GLN A 93 7.377 1.624 -4.098 1.00 0.00 O ATOM 1352 CB GLN A 93 8.842 1.281 -7.078 1.00 0.00 C ATOM 1353 CG GLN A 93 9.565 0.503 -8.166 1.00 0.00 C ATOM 1354 CD GLN A 93 9.266 1.030 -9.555 1.00 0.00 C ATOM 1355 OE1 GLN A 93 9.961 1.913 -10.059 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.228 0.490 -10.183 1.00 0.00 N ATOM 0 H GLN A 93 6.274 0.701 -6.208 1.00 0.00 H new ATOM 0 HA GLN A 93 8.968 -0.477 -5.851 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.999 1.812 -7.521 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.517 2.036 -6.673 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.639 0.549 -7.987 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.277 -0.547 -8.110 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.679 -0.239 -9.728 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.979 0.805 -11.121 1.00 0.00 H new ATOM 1365 N ARG A 94 9.607 1.322 -4.087 1.00 0.00 N ATOM 1366 CA ARG A 94 9.809 2.037 -2.832 1.00 0.00 C ATOM 1367 C ARG A 94 10.579 3.334 -3.064 1.00 0.00 C ATOM 1368 O ARG A 94 11.653 3.331 -3.667 1.00 0.00 O ATOM 1369 CB ARG A 94 10.559 1.152 -1.832 1.00 0.00 C ATOM 1370 CG ARG A 94 9.732 0.775 -0.614 1.00 0.00 C ATOM 1371 CD ARG A 94 10.005 1.705 0.557 1.00 0.00 C ATOM 1372 NE ARG A 94 10.098 0.981 1.822 1.00 0.00 N ATOM 1373 CZ ARG A 94 11.081 0.136 2.122 1.00 0.00 C ATOM 1374 NH1 ARG A 94 12.058 -0.094 1.252 1.00 0.00 N ATOM 1375 NH2 ARG A 94 11.091 -0.481 3.296 1.00 0.00 N ATOM 0 H ARG A 94 10.462 0.956 -4.506 1.00 0.00 H new ATOM 0 HA ARG A 94 8.831 2.286 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.883 0.242 -2.337 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.459 1.672 -1.503 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.673 0.810 -0.868 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.957 -0.251 -0.324 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.934 2.247 0.380 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.210 2.448 0.622 1.00 0.00 H new ATOM 0 HE ARG A 94 9.366 1.132 2.516 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.058 0.378 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.809 -0.743 1.488 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.345 -0.308 3.970 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.845 -1.129 3.525 1.00 0.00 H new ATOM 1389 N ILE A 95 10.024 4.440 -2.580 1.00 0.00 N ATOM 1390 CA ILE A 95 10.659 5.744 -2.734 1.00 0.00 C ATOM 1391 C ILE A 95 11.422 6.133 -1.473 1.00 0.00 C ATOM 1392 O ILE A 95 12.444 6.817 -1.541 1.00 0.00 O ATOM 1393 CB ILE A 95 9.625 6.840 -3.052 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.705 6.391 -4.188 1.00 0.00 C ATOM 1395 CG2 ILE A 95 10.325 8.142 -3.412 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.556 7.343 -4.448 1.00 0.00 C ATOM 0 H ILE A 95 9.136 4.460 -2.078 1.00 0.00 H new ATOM 0 HA ILE A 95 11.355 5.660 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 95 9.016 7.012 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 95 9.292 6.285 -5.100 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.303 5.406 -3.952 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.580 8.906 -3.634 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.941 8.468 -2.574 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.956 7.986 -4.287 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.945 6.961 -5.266 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.945 7.430 -3.549 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.949 8.324 -4.716 1.00 0.00 H new