USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 447 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 Single : A 22 THR OG1 : rot 180:sc= 0.251 USER MOD Single : A 29 LYS NZ :NH3+ -113:sc= 1.22 (180deg=-0.0697) USER MOD Single : A 32 HIS : no HD1:sc=-0.00863 X(o=-0.0086,f=-0.18) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.445 X(o=-0.45,f=0) USER MOD Single : A 49 ASN : amide:sc= -1.13 K(o=-1.1,f=-0.036) USER MOD Single : A 51 MET CE :methyl -123:sc= 0 (180deg=-1.37!) USER MOD Single : A 52 MET CE :methyl -174:sc= -0.297 (180deg=-0.338) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.273 X(o=-0.27,f=-0.43) USER MOD Single : A 58 ASN : amide:sc= -0.131 K(o=-0.13,f=-1.1) USER MOD Single : A 61 GLN : amide:sc= 0.686 K(o=0.69,f=-5.5!) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.297 -6.045 13.052 1.00 15.24 N ATOM 330 CA LEU A 21 7.896 -4.971 12.226 1.00 42.41 C ATOM 331 C LEU A 21 8.999 -5.521 11.286 1.00 20.31 C ATOM 332 O LEU A 21 10.157 -5.661 11.681 1.00 43.20 O ATOM 333 CB LEU A 21 8.441 -3.837 13.146 1.00 11.03 C ATOM 334 CG LEU A 21 7.364 -3.094 14.007 1.00 43.32 C ATOM 335 CD1 LEU A 21 8.002 -2.022 14.921 1.00 21.04 C ATOM 336 CD2 LEU A 21 6.256 -2.476 13.113 1.00 13.03 C ATOM 0 HA LEU A 21 7.119 -4.554 11.585 1.00 42.41 H new ATOM 0 HB2 LEU A 21 9.187 -4.264 13.817 1.00 11.03 H new ATOM 0 HB3 LEU A 21 8.954 -3.103 12.524 1.00 11.03 H new ATOM 0 HG LEU A 21 6.898 -3.839 14.652 1.00 43.32 H new ATOM 0 HD11 LEU A 21 7.223 -1.529 15.502 1.00 21.04 H new ATOM 0 HD12 LEU A 21 8.713 -2.497 15.597 1.00 21.04 H new ATOM 0 HD13 LEU A 21 8.520 -1.284 14.309 1.00 21.04 H new ATOM 0 HD21 LEU A 21 5.524 -1.967 13.740 1.00 13.03 H new ATOM 0 HD22 LEU A 21 6.702 -1.760 12.423 1.00 13.03 H new ATOM 0 HD23 LEU A 21 5.762 -3.266 12.547 1.00 13.03 H new ATOM 348 N THR A 22 8.594 -5.866 10.053 1.00 41.42 N ATOM 349 CA THR A 22 9.505 -6.362 8.988 1.00 63.01 C ATOM 350 C THR A 22 10.211 -5.194 8.245 1.00 21.25 C ATOM 351 O THR A 22 9.996 -4.022 8.566 1.00 33.53 O ATOM 352 CB THR A 22 8.713 -7.222 7.940 1.00 34.20 C ATOM 353 OG1 THR A 22 7.849 -6.377 7.164 1.00 44.30 O ATOM 354 CG2 THR A 22 7.878 -8.337 8.616 1.00 4.54 C ATOM 0 H THR A 22 7.619 -5.811 9.757 1.00 41.42 H new ATOM 0 HA THR A 22 10.261 -6.975 9.478 1.00 63.01 H new ATOM 0 HB THR A 22 9.446 -7.701 7.291 1.00 34.20 H new ATOM 0 HG1 THR A 22 7.360 -6.920 6.512 1.00 44.30 H new ATOM 0 HG21 THR A 22 7.347 -8.907 7.854 1.00 4.54 H new ATOM 0 HG22 THR A 22 8.540 -9.002 9.170 1.00 4.54 H new ATOM 0 HG23 THR A 22 7.158 -7.888 9.301 1.00 4.54 H new ATOM 362 N ARG A 23 11.051 -5.523 7.238 1.00 45.41 N ATOM 363 CA ARG A 23 11.713 -4.502 6.378 1.00 34.13 C ATOM 364 C ARG A 23 10.655 -3.702 5.583 1.00 1.22 C ATOM 365 O ARG A 23 10.754 -2.479 5.454 1.00 35.54 O ATOM 366 CB ARG A 23 12.737 -5.140 5.387 1.00 50.34 C ATOM 367 CG ARG A 23 14.037 -5.708 6.012 1.00 32.10 C ATOM 368 CD ARG A 23 13.814 -6.952 6.882 1.00 11.33 C ATOM 369 NE ARG A 23 15.087 -7.519 7.366 1.00 31.43 N ATOM 370 CZ ARG A 23 15.326 -7.959 8.584 1.00 33.42 C ATOM 371 NH1 ARG A 23 14.422 -7.897 9.511 1.00 63.24 N ATOM 372 NH2 ARG A 23 16.489 -8.452 8.868 1.00 54.01 N ATOM 0 H ARG A 23 11.290 -6.485 6.997 1.00 45.41 H new ATOM 0 HA ARG A 23 12.261 -3.833 7.041 1.00 34.13 H new ATOM 0 HB2 ARG A 23 12.236 -5.945 4.849 1.00 50.34 H new ATOM 0 HB3 ARG A 23 13.013 -4.387 4.649 1.00 50.34 H new ATOM 0 HG2 ARG A 23 14.735 -5.956 5.213 1.00 32.10 H new ATOM 0 HG3 ARG A 23 14.507 -4.933 6.617 1.00 32.10 H new ATOM 0 HD2 ARG A 23 13.185 -6.692 7.734 1.00 11.33 H new ATOM 0 HD3 ARG A 23 13.276 -7.706 6.307 1.00 11.33 H new ATOM 0 HE ARG A 23 15.853 -7.575 6.695 1.00 31.43 H new ATOM 0 HH11 ARG A 23 13.505 -7.502 9.303 1.00 63.24 H new ATOM 0 HH12 ARG A 23 14.628 -8.244 10.448 1.00 63.24 H new ATOM 0 HH21 ARG A 23 17.213 -8.498 8.151 1.00 54.01 H new ATOM 0 HH22 ARG A 23 16.682 -8.795 9.809 1.00 54.01 H new ATOM 386 N ASP A 24 9.644 -4.427 5.067 1.00 54.32 N ATOM 387 CA ASP A 24 8.490 -3.839 4.358 1.00 55.21 C ATOM 388 C ASP A 24 7.664 -2.905 5.280 1.00 2.15 C ATOM 389 O ASP A 24 7.275 -1.814 4.865 1.00 41.11 O ATOM 390 CB ASP A 24 7.582 -4.957 3.792 1.00 21.14 C ATOM 391 CG ASP A 24 8.304 -5.859 2.782 1.00 55.30 C ATOM 392 OD1 ASP A 24 8.984 -6.822 3.208 1.00 32.14 O ATOM 393 OD2 ASP A 24 8.206 -5.606 1.566 1.00 21.10 O ATOM 0 H ASP A 24 9.604 -5.444 5.131 1.00 54.32 H new ATOM 0 HA ASP A 24 8.881 -3.239 3.537 1.00 55.21 H new ATOM 0 HB2 ASP A 24 7.210 -5.567 4.615 1.00 21.14 H new ATOM 0 HB3 ASP A 24 6.714 -4.505 3.312 1.00 21.14 H new ATOM 398 N GLU A 25 7.401 -3.363 6.525 1.00 40.00 N ATOM 399 CA GLU A 25 6.662 -2.582 7.546 1.00 20.14 C ATOM 400 C GLU A 25 7.335 -1.226 7.840 1.00 50.00 C ATOM 401 O GLU A 25 6.697 -0.180 7.735 1.00 32.14 O ATOM 402 CB GLU A 25 6.514 -3.405 8.868 1.00 4.24 C ATOM 403 CG GLU A 25 5.356 -4.420 8.868 1.00 23.21 C ATOM 404 CD GLU A 25 3.982 -3.731 8.797 1.00 64.43 C ATOM 405 OE1 GLU A 25 3.651 -2.977 9.734 1.00 10.41 O ATOM 406 OE2 GLU A 25 3.229 -3.937 7.817 1.00 4.31 O ATOM 0 H GLU A 25 7.694 -4.284 6.851 1.00 40.00 H new ATOM 0 HA GLU A 25 5.672 -2.378 7.137 1.00 20.14 H new ATOM 0 HB2 GLU A 25 7.446 -3.938 9.054 1.00 4.24 H new ATOM 0 HB3 GLU A 25 6.372 -2.712 9.697 1.00 4.24 H new ATOM 0 HG2 GLU A 25 5.467 -5.095 8.020 1.00 23.21 H new ATOM 0 HG3 GLU A 25 5.409 -5.030 9.770 1.00 23.21 H new ATOM 413 N LEU A 26 8.635 -1.262 8.171 1.00 63.53 N ATOM 414 CA LEU A 26 9.397 -0.055 8.569 1.00 71.42 C ATOM 415 C LEU A 26 9.419 1.035 7.459 1.00 54.13 C ATOM 416 O LEU A 26 9.248 2.225 7.756 1.00 73.12 O ATOM 417 CB LEU A 26 10.836 -0.444 8.990 1.00 30.40 C ATOM 418 CG LEU A 26 10.951 -1.372 10.243 1.00 75.43 C ATOM 419 CD1 LEU A 26 12.421 -1.730 10.546 1.00 74.34 C ATOM 420 CD2 LEU A 26 10.268 -0.737 11.483 1.00 2.31 C ATOM 0 H LEU A 26 9.189 -2.118 8.172 1.00 63.53 H new ATOM 0 HA LEU A 26 8.881 0.384 9.423 1.00 71.42 H new ATOM 0 HB2 LEU A 26 11.319 -0.940 8.148 1.00 30.40 H new ATOM 0 HB3 LEU A 26 11.397 0.470 9.186 1.00 30.40 H new ATOM 0 HG LEU A 26 10.424 -2.297 10.010 1.00 75.43 H new ATOM 0 HD11 LEU A 26 12.465 -2.376 11.423 1.00 74.34 H new ATOM 0 HD12 LEU A 26 12.853 -2.250 9.691 1.00 74.34 H new ATOM 0 HD13 LEU A 26 12.985 -0.818 10.739 1.00 74.34 H new ATOM 0 HD21 LEU A 26 10.366 -1.408 12.336 1.00 2.31 H new ATOM 0 HD22 LEU A 26 10.745 0.215 11.714 1.00 2.31 H new ATOM 0 HD23 LEU A 26 9.212 -0.571 11.272 1.00 2.31 H new ATOM 432 N ARG A 27 9.603 0.620 6.186 1.00 65.14 N ATOM 433 CA ARG A 27 9.633 1.559 5.033 1.00 0.22 C ATOM 434 C ARG A 27 8.213 2.049 4.615 1.00 33.34 C ATOM 435 O ARG A 27 8.060 3.195 4.182 1.00 1.31 O ATOM 436 CB ARG A 27 10.386 0.931 3.827 1.00 4.12 C ATOM 437 CG ARG A 27 9.727 -0.325 3.213 1.00 42.30 C ATOM 438 CD ARG A 27 10.548 -0.914 2.050 1.00 24.35 C ATOM 439 NE ARG A 27 9.945 -2.137 1.478 1.00 23.31 N ATOM 440 CZ ARG A 27 10.437 -2.818 0.457 1.00 74.13 C ATOM 441 NH1 ARG A 27 11.546 -2.464 -0.112 1.00 72.44 N ATOM 442 NH2 ARG A 27 9.826 -3.866 0.022 1.00 41.31 N ATOM 0 H ARG A 27 9.733 -0.358 5.927 1.00 65.14 H new ATOM 0 HA ARG A 27 10.180 2.442 5.362 1.00 0.22 H new ATOM 0 HB2 ARG A 27 10.483 1.687 3.048 1.00 4.12 H new ATOM 0 HB3 ARG A 27 11.395 0.671 4.146 1.00 4.12 H new ATOM 0 HG2 ARG A 27 9.605 -1.082 3.987 1.00 42.30 H new ATOM 0 HG3 ARG A 27 8.729 -0.070 2.856 1.00 42.30 H new ATOM 0 HD2 ARG A 27 10.647 -0.163 1.266 1.00 24.35 H new ATOM 0 HD3 ARG A 27 11.554 -1.142 2.402 1.00 24.35 H new ATOM 0 HE ARG A 27 9.084 -2.481 1.903 1.00 23.31 H new ATOM 0 HH11 ARG A 27 12.055 -1.648 0.227 1.00 72.44 H new ATOM 0 HH12 ARG A 27 11.910 -3.002 -0.899 1.00 72.44 H new ATOM 0 HH21 ARG A 27 8.960 -4.172 0.466 1.00 41.31 H new ATOM 0 HH22 ARG A 27 10.208 -4.389 -0.766 1.00 41.31 H new ATOM 456 N ALA A 28 7.180 1.192 4.773 1.00 75.01 N ATOM 457 CA ALA A 28 5.775 1.547 4.426 1.00 5.13 C ATOM 458 C ALA A 28 5.170 2.543 5.440 1.00 24.42 C ATOM 459 O ALA A 28 4.469 3.482 5.065 1.00 44.14 O ATOM 460 CB ALA A 28 4.907 0.285 4.333 1.00 30.20 C ATOM 0 H ALA A 28 7.288 0.246 5.139 1.00 75.01 H new ATOM 0 HA ALA A 28 5.792 2.036 3.452 1.00 5.13 H new ATOM 0 HB1 ALA A 28 3.885 0.565 4.079 1.00 30.20 H new ATOM 0 HB2 ALA A 28 5.305 -0.375 3.562 1.00 30.20 H new ATOM 0 HB3 ALA A 28 4.914 -0.233 5.292 1.00 30.20 H new ATOM 466 N LYS A 29 5.448 2.324 6.731 1.00 0.34 N ATOM 467 CA LYS A 29 5.001 3.232 7.811 1.00 3.24 C ATOM 468 C LYS A 29 5.836 4.542 7.810 1.00 72.42 C ATOM 469 O LYS A 29 5.364 5.584 8.269 1.00 62.43 O ATOM 470 CB LYS A 29 5.043 2.509 9.184 1.00 32.22 C ATOM 471 CG LYS A 29 4.221 1.187 9.224 1.00 50.52 C ATOM 472 CD LYS A 29 2.730 1.373 8.830 1.00 34.02 C ATOM 473 CE LYS A 29 1.962 0.035 8.747 1.00 21.32 C ATOM 474 NZ LYS A 29 1.987 -0.718 10.029 1.00 43.13 N ATOM 0 H LYS A 29 5.984 1.522 7.061 1.00 0.34 H new ATOM 0 HA LYS A 29 3.964 3.514 7.627 1.00 3.24 H new ATOM 0 HB2 LYS A 29 6.080 2.289 9.436 1.00 32.22 H new ATOM 0 HB3 LYS A 29 4.665 3.184 9.951 1.00 32.22 H new ATOM 0 HG2 LYS A 29 4.679 0.463 8.550 1.00 50.52 H new ATOM 0 HG3 LYS A 29 4.274 0.766 10.228 1.00 50.52 H new ATOM 0 HD2 LYS A 29 2.244 2.021 9.559 1.00 34.02 H new ATOM 0 HD3 LYS A 29 2.674 1.879 7.866 1.00 34.02 H new ATOM 0 HE2 LYS A 29 0.928 0.231 8.465 1.00 21.32 H new ATOM 0 HE3 LYS A 29 2.396 -0.581 7.959 1.00 21.32 H new ATOM 0 HZ1 LYS A 29 2.540 -1.590 9.909 1.00 43.13 H new ATOM 0 HZ2 LYS A 29 2.423 -0.131 10.768 1.00 43.13 H new ATOM 0 HZ3 LYS A 29 1.015 -0.960 10.308 1.00 43.13 H new ATOM 488 N ALA A 30 7.069 4.473 7.260 1.00 42.11 N ATOM 489 CA ALA A 30 7.888 5.672 6.936 1.00 24.01 C ATOM 490 C ALA A 30 7.282 6.473 5.745 1.00 12.43 C ATOM 491 O ALA A 30 7.453 7.692 5.656 1.00 20.05 O ATOM 492 CB ALA A 30 9.336 5.264 6.627 1.00 72.40 C ATOM 0 H ALA A 30 7.526 3.591 7.028 1.00 42.11 H new ATOM 0 HA ALA A 30 7.884 6.323 7.810 1.00 24.01 H new ATOM 0 HB1 ALA A 30 9.922 6.152 6.392 1.00 72.40 H new ATOM 0 HB2 ALA A 30 9.766 4.765 7.495 1.00 72.40 H new ATOM 0 HB3 ALA A 30 9.349 4.585 5.774 1.00 72.40 H new ATOM 498 N LEU A 31 6.586 5.765 4.823 1.00 24.23 N ATOM 499 CA LEU A 31 5.754 6.401 3.760 1.00 42.44 C ATOM 500 C LEU A 31 4.370 6.854 4.304 1.00 54.52 C ATOM 501 O LEU A 31 3.583 7.436 3.563 1.00 15.25 O ATOM 502 CB LEU A 31 5.558 5.427 2.563 1.00 71.11 C ATOM 503 CG LEU A 31 6.823 5.103 1.708 1.00 34.42 C ATOM 504 CD1 LEU A 31 6.515 4.027 0.644 1.00 22.53 C ATOM 505 CD2 LEU A 31 7.397 6.382 1.046 1.00 0.12 C ATOM 0 H LEU A 31 6.582 4.746 4.790 1.00 24.23 H new ATOM 0 HA LEU A 31 6.288 7.288 3.419 1.00 42.44 H new ATOM 0 HB2 LEU A 31 5.159 4.489 2.949 1.00 71.11 H new ATOM 0 HB3 LEU A 31 4.800 5.848 1.903 1.00 71.11 H new ATOM 0 HG LEU A 31 7.582 4.705 2.382 1.00 34.42 H new ATOM 0 HD11 LEU A 31 7.414 3.821 0.063 1.00 22.53 H new ATOM 0 HD12 LEU A 31 6.184 3.113 1.136 1.00 22.53 H new ATOM 0 HD13 LEU A 31 5.729 4.386 -0.020 1.00 22.53 H new ATOM 0 HD21 LEU A 31 8.277 6.123 0.457 1.00 0.12 H new ATOM 0 HD22 LEU A 31 6.643 6.825 0.395 1.00 0.12 H new ATOM 0 HD23 LEU A 31 7.675 7.098 1.819 1.00 0.12 H new ATOM 517 N HIS A 32 4.092 6.550 5.594 1.00 71.42 N ATOM 518 CA HIS A 32 2.859 6.966 6.313 1.00 71.11 C ATOM 519 C HIS A 32 1.585 6.326 5.680 1.00 43.10 C ATOM 520 O HIS A 32 0.507 6.935 5.667 1.00 51.34 O ATOM 521 CB HIS A 32 2.782 8.530 6.384 1.00 75.30 C ATOM 522 CG HIS A 32 1.822 9.096 7.409 1.00 32.32 C ATOM 523 ND1 HIS A 32 0.557 9.545 7.098 1.00 23.35 N ATOM 524 CD2 HIS A 32 1.967 9.310 8.741 1.00 3.01 C ATOM 525 CE1 HIS A 32 -0.026 10.015 8.180 1.00 54.35 C ATOM 526 NE2 HIS A 32 0.803 9.882 9.189 1.00 70.53 N ATOM 0 H HIS A 32 4.726 6.001 6.175 1.00 71.42 H new ATOM 0 HA HIS A 32 2.903 6.593 7.336 1.00 71.11 H new ATOM 0 HB2 HIS A 32 3.779 8.915 6.597 1.00 75.30 H new ATOM 0 HB3 HIS A 32 2.498 8.906 5.401 1.00 75.30 H new ATOM 0 HD2 HIS A 32 2.836 9.074 9.337 1.00 3.01 H new ATOM 0 HE1 HIS A 32 -1.018 10.438 8.229 1.00 54.35 H new ATOM 0 HE2 HIS A 32 0.612 10.159 10.152 1.00 70.53 H new ATOM 535 N ILE A 33 1.721 5.072 5.191 1.00 41.30 N ATOM 536 CA ILE A 33 0.591 4.306 4.609 1.00 3.14 C ATOM 537 C ILE A 33 -0.479 4.006 5.705 1.00 11.32 C ATOM 538 O ILE A 33 -0.131 3.469 6.763 1.00 44.13 O ATOM 539 CB ILE A 33 1.080 2.954 3.939 1.00 21.00 C ATOM 540 CG1 ILE A 33 2.168 3.227 2.850 1.00 3.53 C ATOM 541 CG2 ILE A 33 -0.103 2.154 3.329 1.00 72.12 C ATOM 542 CD1 ILE A 33 1.711 4.107 1.696 1.00 73.30 C ATOM 0 H ILE A 33 2.606 4.566 5.187 1.00 41.30 H new ATOM 0 HA ILE A 33 0.144 4.921 3.827 1.00 3.14 H new ATOM 0 HB ILE A 33 1.523 2.348 4.729 1.00 21.00 H new ATOM 0 HG12 ILE A 33 3.029 3.696 3.327 1.00 3.53 H new ATOM 0 HG13 ILE A 33 2.507 2.272 2.448 1.00 3.53 H new ATOM 0 HG21 ILE A 33 0.273 1.235 2.880 1.00 72.12 H new ATOM 0 HG22 ILE A 33 -0.819 1.908 4.113 1.00 72.12 H new ATOM 0 HG23 ILE A 33 -0.594 2.757 2.565 1.00 72.12 H new ATOM 0 HD11 ILE A 33 2.533 4.240 0.992 1.00 73.30 H new ATOM 0 HD12 ILE A 33 0.871 3.633 1.188 1.00 73.30 H new ATOM 0 HD13 ILE A 33 1.401 5.079 2.080 1.00 73.30 H new ATOM 554 N PRO A 34 -1.794 4.364 5.468 1.00 3.24 N ATOM 555 CA PRO A 34 -2.888 4.197 6.477 1.00 51.42 C ATOM 556 C PRO A 34 -3.131 2.732 6.931 1.00 44.43 C ATOM 557 O PRO A 34 -3.687 2.493 8.011 1.00 41.31 O ATOM 558 CB PRO A 34 -4.141 4.772 5.751 1.00 44.13 C ATOM 559 CG PRO A 34 -3.592 5.647 4.665 1.00 2.51 C ATOM 560 CD PRO A 34 -2.316 4.981 4.218 1.00 3.43 C ATOM 0 HA PRO A 34 -2.635 4.705 7.408 1.00 51.42 H new ATOM 0 HB2 PRO A 34 -4.760 3.974 5.340 1.00 44.13 H new ATOM 0 HB3 PRO A 34 -4.768 5.341 6.437 1.00 44.13 H new ATOM 0 HG2 PRO A 34 -4.298 5.737 3.839 1.00 2.51 H new ATOM 0 HG3 PRO A 34 -3.401 6.655 5.032 1.00 2.51 H new ATOM 0 HD2 PRO A 34 -2.502 4.233 3.447 1.00 3.43 H new ATOM 0 HD3 PRO A 34 -1.612 5.701 3.800 1.00 3.43 H new ATOM 568 N PHE A 35 -2.695 1.763 6.111 1.00 15.54 N ATOM 569 CA PHE A 35 -2.945 0.318 6.337 1.00 21.23 C ATOM 570 C PHE A 35 -1.636 -0.534 6.236 1.00 72.24 C ATOM 571 O PHE A 35 -0.698 -0.143 5.535 1.00 10.45 O ATOM 572 CB PHE A 35 -4.065 -0.184 5.362 1.00 70.24 C ATOM 573 CG PHE A 35 -4.092 0.474 3.977 1.00 3.05 C ATOM 574 CD1 PHE A 35 -4.838 1.634 3.756 1.00 42.03 C ATOM 575 CD2 PHE A 35 -3.383 -0.062 2.911 1.00 3.04 C ATOM 576 CE1 PHE A 35 -4.871 2.233 2.517 1.00 25.45 C ATOM 577 CE2 PHE A 35 -3.418 0.540 1.667 1.00 74.24 C ATOM 578 CZ PHE A 35 -4.159 1.687 1.470 1.00 42.10 C ATOM 0 H PHE A 35 -2.156 1.954 5.266 1.00 15.54 H new ATOM 0 HA PHE A 35 -3.299 0.185 7.359 1.00 21.23 H new ATOM 0 HB2 PHE A 35 -3.949 -1.260 5.230 1.00 70.24 H new ATOM 0 HB3 PHE A 35 -5.032 -0.024 5.838 1.00 70.24 H new ATOM 0 HD1 PHE A 35 -5.398 2.068 4.571 1.00 42.03 H new ATOM 0 HD2 PHE A 35 -2.798 -0.958 3.055 1.00 3.04 H new ATOM 0 HE1 PHE A 35 -5.454 3.129 2.365 1.00 25.45 H new ATOM 0 HE2 PHE A 35 -2.863 0.111 0.846 1.00 74.24 H new ATOM 0 HZ PHE A 35 -4.181 2.156 0.498 1.00 42.10 H new ATOM 588 N PRO A 36 -1.557 -1.708 6.972 1.00 52.32 N ATOM 589 CA PRO A 36 -0.365 -2.626 6.964 1.00 1.12 C ATOM 590 C PRO A 36 0.010 -3.183 5.569 1.00 4.13 C ATOM 591 O PRO A 36 -0.829 -3.214 4.676 1.00 11.23 O ATOM 592 CB PRO A 36 -0.804 -3.793 7.893 1.00 30.23 C ATOM 593 CG PRO A 36 -1.872 -3.209 8.760 1.00 55.43 C ATOM 594 CD PRO A 36 -2.609 -2.220 7.889 1.00 70.43 C ATOM 0 HA PRO A 36 0.528 -2.089 7.284 1.00 1.12 H new ATOM 0 HB2 PRO A 36 -1.181 -4.638 7.316 1.00 30.23 H new ATOM 0 HB3 PRO A 36 0.032 -4.161 8.488 1.00 30.23 H new ATOM 0 HG2 PRO A 36 -2.545 -3.984 9.128 1.00 55.43 H new ATOM 0 HG3 PRO A 36 -1.443 -2.718 9.633 1.00 55.43 H new ATOM 0 HD2 PRO A 36 -3.421 -2.697 7.340 1.00 70.43 H new ATOM 0 HD3 PRO A 36 -3.051 -1.418 8.480 1.00 70.43 H new ATOM 602 N VAL A 37 1.258 -3.670 5.416 1.00 3.22 N ATOM 603 CA VAL A 37 1.760 -4.237 4.133 1.00 60.35 C ATOM 604 C VAL A 37 0.923 -5.455 3.654 1.00 54.23 C ATOM 605 O VAL A 37 0.569 -5.529 2.469 1.00 34.21 O ATOM 606 CB VAL A 37 3.282 -4.625 4.228 1.00 63.24 C ATOM 607 CG1 VAL A 37 3.808 -5.317 2.940 1.00 63.11 C ATOM 608 CG2 VAL A 37 4.126 -3.379 4.565 1.00 44.41 C ATOM 0 H VAL A 37 1.947 -3.685 6.168 1.00 3.22 H new ATOM 0 HA VAL A 37 1.649 -3.448 3.389 1.00 60.35 H new ATOM 0 HB VAL A 37 3.380 -5.355 5.032 1.00 63.24 H new ATOM 0 HG11 VAL A 37 4.863 -5.562 3.063 1.00 63.11 H new ATOM 0 HG12 VAL A 37 3.242 -6.231 2.761 1.00 63.11 H new ATOM 0 HG13 VAL A 37 3.688 -4.644 2.091 1.00 63.11 H new ATOM 0 HG21 VAL A 37 5.178 -3.658 4.629 1.00 44.41 H new ATOM 0 HG22 VAL A 37 3.996 -2.629 3.784 1.00 44.41 H new ATOM 0 HG23 VAL A 37 3.802 -2.967 5.521 1.00 44.41 H new ATOM 618 N GLU A 38 0.585 -6.386 4.583 1.00 24.11 N ATOM 619 CA GLU A 38 -0.325 -7.528 4.282 1.00 51.43 C ATOM 620 C GLU A 38 -1.712 -7.049 3.804 1.00 73.22 C ATOM 621 O GLU A 38 -2.381 -7.754 3.056 1.00 1.30 O ATOM 622 CB GLU A 38 -0.508 -8.499 5.491 1.00 63.15 C ATOM 623 CG GLU A 38 0.730 -9.359 5.854 1.00 21.30 C ATOM 624 CD GLU A 38 1.749 -8.646 6.762 1.00 14.43 C ATOM 625 OE1 GLU A 38 2.529 -7.809 6.260 1.00 23.15 O ATOM 626 OE2 GLU A 38 1.759 -8.906 7.991 1.00 24.24 O ATOM 0 H GLU A 38 0.926 -6.371 5.544 1.00 24.11 H new ATOM 0 HA GLU A 38 0.165 -8.077 3.477 1.00 51.43 H new ATOM 0 HB2 GLU A 38 -0.789 -7.912 6.366 1.00 63.15 H new ATOM 0 HB3 GLU A 38 -1.341 -9.167 5.274 1.00 63.15 H new ATOM 0 HG2 GLU A 38 0.393 -10.270 6.350 1.00 21.30 H new ATOM 0 HG3 GLU A 38 1.230 -9.663 4.934 1.00 21.30 H new ATOM 633 N LYS A 39 -2.126 -5.846 4.236 1.00 35.50 N ATOM 634 CA LYS A 39 -3.396 -5.254 3.790 1.00 2.43 C ATOM 635 C LYS A 39 -3.307 -4.807 2.307 1.00 5.12 C ATOM 636 O LYS A 39 -4.216 -5.099 1.543 1.00 50.33 O ATOM 637 CB LYS A 39 -3.827 -4.085 4.718 1.00 21.01 C ATOM 638 CG LYS A 39 -5.293 -3.582 4.556 1.00 50.32 C ATOM 639 CD LYS A 39 -6.357 -4.423 5.321 1.00 31.41 C ATOM 640 CE LYS A 39 -6.610 -5.837 4.755 1.00 62.03 C ATOM 641 NZ LYS A 39 -7.568 -6.608 5.597 1.00 73.43 N ATOM 0 H LYS A 39 -1.601 -5.267 4.891 1.00 35.50 H new ATOM 0 HA LYS A 39 -4.169 -6.020 3.856 1.00 2.43 H new ATOM 0 HB2 LYS A 39 -3.685 -4.398 5.752 1.00 21.01 H new ATOM 0 HB3 LYS A 39 -3.155 -3.244 4.544 1.00 21.01 H new ATOM 0 HG2 LYS A 39 -5.349 -2.550 4.901 1.00 50.32 H new ATOM 0 HG3 LYS A 39 -5.546 -3.578 3.496 1.00 50.32 H new ATOM 0 HD2 LYS A 39 -6.044 -4.516 6.361 1.00 31.41 H new ATOM 0 HD3 LYS A 39 -7.299 -3.875 5.320 1.00 31.41 H new ATOM 0 HE2 LYS A 39 -7.000 -5.758 3.740 1.00 62.03 H new ATOM 0 HE3 LYS A 39 -5.665 -6.377 4.692 1.00 62.03 H new ATOM 0 HZ1 LYS A 39 -7.712 -7.552 5.184 1.00 73.43 H new ATOM 0 HZ2 LYS A 39 -7.184 -6.706 6.559 1.00 73.43 H new ATOM 0 HZ3 LYS A 39 -8.478 -6.105 5.637 1.00 73.43 H new ATOM 655 N ILE A 40 -2.183 -4.146 1.899 1.00 25.14 N ATOM 656 CA ILE A 40 -1.929 -3.823 0.457 1.00 20.22 C ATOM 657 C ILE A 40 -1.942 -5.127 -0.401 1.00 32.12 C ATOM 658 O ILE A 40 -2.528 -5.163 -1.490 1.00 31.35 O ATOM 659 CB ILE A 40 -0.562 -3.032 0.211 1.00 51.21 C ATOM 660 CG1 ILE A 40 -0.580 -1.583 0.823 1.00 30.12 C ATOM 661 CG2 ILE A 40 -0.199 -2.947 -1.293 1.00 35.24 C ATOM 662 CD1 ILE A 40 -0.127 -1.483 2.259 1.00 75.34 C ATOM 0 H ILE A 40 -1.450 -3.831 2.534 1.00 25.14 H new ATOM 0 HA ILE A 40 -2.737 -3.160 0.149 1.00 20.22 H new ATOM 0 HB ILE A 40 0.202 -3.613 0.728 1.00 51.21 H new ATOM 0 HG12 ILE A 40 0.056 -0.941 0.213 1.00 30.12 H new ATOM 0 HG13 ILE A 40 -1.594 -1.189 0.751 1.00 30.12 H new ATOM 0 HG21 ILE A 40 0.737 -2.401 -1.411 1.00 35.24 H new ATOM 0 HG22 ILE A 40 -0.086 -3.953 -1.697 1.00 35.24 H new ATOM 0 HG23 ILE A 40 -0.992 -2.427 -1.830 1.00 35.24 H new ATOM 0 HD11 ILE A 40 -0.177 -0.444 2.585 1.00 75.34 H new ATOM 0 HD12 ILE A 40 -0.776 -2.092 2.888 1.00 75.34 H new ATOM 0 HD13 ILE A 40 0.899 -1.841 2.343 1.00 75.34 H new ATOM 674 N ILE A 41 -1.311 -6.196 0.136 1.00 35.13 N ATOM 675 CA ILE A 41 -1.308 -7.551 -0.476 1.00 21.22 C ATOM 676 C ILE A 41 -2.754 -8.110 -0.660 1.00 63.33 C ATOM 677 O ILE A 41 -3.088 -8.691 -1.704 1.00 62.03 O ATOM 678 CB ILE A 41 -0.468 -8.569 0.410 1.00 5.13 C ATOM 679 CG1 ILE A 41 1.022 -8.118 0.519 1.00 60.44 C ATOM 680 CG2 ILE A 41 -0.555 -10.019 -0.123 1.00 20.33 C ATOM 681 CD1 ILE A 41 1.894 -8.958 1.445 1.00 32.01 C ATOM 0 H ILE A 41 -0.787 -6.146 1.009 1.00 35.13 H new ATOM 0 HA ILE A 41 -0.847 -7.450 -1.458 1.00 21.22 H new ATOM 0 HB ILE A 41 -0.911 -8.560 1.406 1.00 5.13 H new ATOM 0 HG12 ILE A 41 1.462 -8.132 -0.478 1.00 60.44 H new ATOM 0 HG13 ILE A 41 1.047 -7.084 0.864 1.00 60.44 H new ATOM 0 HG21 ILE A 41 0.035 -10.677 0.515 1.00 20.33 H new ATOM 0 HG22 ILE A 41 -1.595 -10.346 -0.119 1.00 20.33 H new ATOM 0 HG23 ILE A 41 -0.166 -10.056 -1.141 1.00 20.33 H new ATOM 0 HD11 ILE A 41 2.909 -8.561 1.449 1.00 32.01 H new ATOM 0 HD12 ILE A 41 1.488 -8.925 2.456 1.00 32.01 H new ATOM 0 HD13 ILE A 41 1.910 -9.990 1.093 1.00 32.01 H new ATOM 693 N ASN A 42 -3.607 -7.929 0.368 1.00 0.25 N ATOM 694 CA ASN A 42 -4.966 -8.527 0.412 1.00 13.43 C ATOM 695 C ASN A 42 -6.094 -7.555 -0.046 1.00 23.23 C ATOM 696 O ASN A 42 -7.277 -7.908 0.042 1.00 14.25 O ATOM 697 CB ASN A 42 -5.253 -9.068 1.846 1.00 20.35 C ATOM 698 CG ASN A 42 -4.250 -10.139 2.332 1.00 42.24 C ATOM 699 OD1 ASN A 42 -4.004 -10.275 3.526 1.00 65.11 O ATOM 700 ND2 ASN A 42 -3.668 -10.912 1.428 1.00 13.22 N ATOM 0 H ASN A 42 -3.380 -7.368 1.189 1.00 0.25 H new ATOM 0 HA ASN A 42 -4.974 -9.346 -0.307 1.00 13.43 H new ATOM 0 HB2 ASN A 42 -5.243 -8.233 2.546 1.00 20.35 H new ATOM 0 HB3 ASN A 42 -6.258 -9.490 1.868 1.00 20.35 H new ATOM 0 HD21 ASN A 42 -3.006 -11.631 1.721 1.00 13.22 H new ATOM 0 HD22 ASN A 42 -3.881 -10.789 0.438 1.00 13.22 H new ATOM 707 N LEU A 43 -5.736 -6.342 -0.523 1.00 44.33 N ATOM 708 CA LEU A 43 -6.707 -5.393 -1.139 1.00 74.54 C ATOM 709 C LEU A 43 -6.613 -5.436 -2.689 1.00 15.22 C ATOM 710 O LEU A 43 -5.606 -4.993 -3.263 1.00 71.22 O ATOM 711 CB LEU A 43 -6.488 -3.925 -0.646 1.00 5.51 C ATOM 712 CG LEU A 43 -6.844 -3.616 0.846 1.00 54.35 C ATOM 713 CD1 LEU A 43 -6.606 -2.119 1.179 1.00 50.23 C ATOM 714 CD2 LEU A 43 -8.291 -4.045 1.189 1.00 3.12 C ATOM 0 H LEU A 43 -4.779 -5.991 -0.496 1.00 44.33 H new ATOM 0 HA LEU A 43 -7.700 -5.713 -0.825 1.00 74.54 H new ATOM 0 HB2 LEU A 43 -5.441 -3.667 -0.805 1.00 5.51 H new ATOM 0 HB3 LEU A 43 -7.079 -3.263 -1.279 1.00 5.51 H new ATOM 0 HG LEU A 43 -6.175 -4.208 1.471 1.00 54.35 H new ATOM 0 HD11 LEU A 43 -6.862 -1.933 2.222 1.00 50.23 H new ATOM 0 HD12 LEU A 43 -5.558 -1.871 1.013 1.00 50.23 H new ATOM 0 HD13 LEU A 43 -7.231 -1.499 0.536 1.00 50.23 H new ATOM 0 HD21 LEU A 43 -8.501 -3.814 2.233 1.00 3.12 H new ATOM 0 HD22 LEU A 43 -8.991 -3.506 0.551 1.00 3.12 H new ATOM 0 HD23 LEU A 43 -8.401 -5.117 1.025 1.00 3.12 H new ATOM 726 N PRO A 44 -7.658 -5.995 -3.393 1.00 12.25 N ATOM 727 CA PRO A 44 -7.833 -5.804 -4.860 1.00 53.03 C ATOM 728 C PRO A 44 -8.008 -4.306 -5.240 1.00 31.45 C ATOM 729 O PRO A 44 -8.274 -3.468 -4.372 1.00 31.20 O ATOM 730 CB PRO A 44 -9.118 -6.625 -5.181 1.00 24.04 C ATOM 731 CG PRO A 44 -9.220 -7.619 -4.059 1.00 52.11 C ATOM 732 CD PRO A 44 -8.704 -6.891 -2.838 1.00 12.13 C ATOM 0 HA PRO A 44 -6.962 -6.131 -5.428 1.00 53.03 H new ATOM 0 HB2 PRO A 44 -9.998 -5.984 -5.224 1.00 24.04 H new ATOM 0 HB3 PRO A 44 -9.039 -7.124 -6.147 1.00 24.04 H new ATOM 0 HG2 PRO A 44 -10.249 -7.948 -3.916 1.00 52.11 H new ATOM 0 HG3 PRO A 44 -8.627 -8.510 -4.267 1.00 52.11 H new ATOM 0 HD2 PRO A 44 -9.494 -6.328 -2.341 1.00 12.13 H new ATOM 0 HD3 PRO A 44 -8.293 -7.581 -2.101 1.00 12.13 H new ATOM 740 N VAL A 45 -7.876 -3.993 -6.546 1.00 20.44 N ATOM 741 CA VAL A 45 -7.950 -2.602 -7.067 1.00 4.42 C ATOM 742 C VAL A 45 -9.292 -1.902 -6.700 1.00 44.01 C ATOM 743 O VAL A 45 -9.291 -0.735 -6.327 1.00 14.23 O ATOM 744 CB VAL A 45 -7.701 -2.566 -8.627 1.00 12.21 C ATOM 745 CG1 VAL A 45 -7.836 -1.134 -9.213 1.00 41.12 C ATOM 746 CG2 VAL A 45 -6.310 -3.165 -8.965 1.00 41.43 C ATOM 0 H VAL A 45 -7.715 -4.692 -7.271 1.00 20.44 H new ATOM 0 HA VAL A 45 -7.154 -2.039 -6.579 1.00 4.42 H new ATOM 0 HB VAL A 45 -8.475 -3.176 -9.093 1.00 12.21 H new ATOM 0 HG11 VAL A 45 -7.656 -1.162 -10.288 1.00 41.12 H new ATOM 0 HG12 VAL A 45 -8.841 -0.756 -9.023 1.00 41.12 H new ATOM 0 HG13 VAL A 45 -7.106 -0.477 -8.740 1.00 41.12 H new ATOM 0 HG21 VAL A 45 -6.153 -3.134 -10.043 1.00 41.43 H new ATOM 0 HG22 VAL A 45 -5.533 -2.584 -8.468 1.00 41.43 H new ATOM 0 HG23 VAL A 45 -6.266 -4.199 -8.622 1.00 41.43 H new ATOM 756 N VAL A 46 -10.414 -2.648 -6.754 1.00 44.34 N ATOM 757 CA VAL A 46 -11.759 -2.135 -6.361 1.00 53.11 C ATOM 758 C VAL A 46 -11.791 -1.674 -4.875 1.00 13.33 C ATOM 759 O VAL A 46 -12.202 -0.548 -4.562 1.00 4.51 O ATOM 760 CB VAL A 46 -12.875 -3.228 -6.595 1.00 13.01 C ATOM 761 CG1 VAL A 46 -14.277 -2.724 -6.168 1.00 11.22 C ATOM 762 CG2 VAL A 46 -12.886 -3.699 -8.067 1.00 53.42 C ATOM 0 H VAL A 46 -10.423 -3.618 -7.068 1.00 44.34 H new ATOM 0 HA VAL A 46 -11.962 -1.272 -6.995 1.00 53.11 H new ATOM 0 HB VAL A 46 -12.629 -4.081 -5.962 1.00 13.01 H new ATOM 0 HG11 VAL A 46 -15.015 -3.507 -6.346 1.00 11.22 H new ATOM 0 HG12 VAL A 46 -14.265 -2.470 -5.108 1.00 11.22 H new ATOM 0 HG13 VAL A 46 -14.539 -1.840 -6.750 1.00 11.22 H new ATOM 0 HG21 VAL A 46 -13.663 -4.451 -8.202 1.00 53.42 H new ATOM 0 HG22 VAL A 46 -13.086 -2.849 -8.719 1.00 53.42 H new ATOM 0 HG23 VAL A 46 -11.917 -4.129 -8.319 1.00 53.42 H new ATOM 772 N ASP A 47 -11.323 -2.562 -3.982 1.00 5.54 N ATOM 773 CA ASP A 47 -11.199 -2.291 -2.527 1.00 25.12 C ATOM 774 C ASP A 47 -10.217 -1.128 -2.234 1.00 21.44 C ATOM 775 O ASP A 47 -10.409 -0.350 -1.293 1.00 71.34 O ATOM 776 CB ASP A 47 -10.722 -3.576 -1.812 1.00 11.13 C ATOM 777 CG ASP A 47 -11.721 -4.738 -1.939 1.00 65.22 C ATOM 778 OD1 ASP A 47 -11.852 -5.301 -3.046 1.00 5.14 O ATOM 779 OD2 ASP A 47 -12.384 -5.090 -0.937 1.00 74.40 O ATOM 0 H ASP A 47 -11.016 -3.498 -4.245 1.00 5.54 H new ATOM 0 HA ASP A 47 -12.178 -1.991 -2.153 1.00 25.12 H new ATOM 0 HB2 ASP A 47 -9.762 -3.882 -2.228 1.00 11.13 H new ATOM 0 HB3 ASP A 47 -10.558 -3.359 -0.757 1.00 11.13 H new ATOM 784 N PHE A 48 -9.170 -1.030 -3.064 1.00 43.23 N ATOM 785 CA PHE A 48 -8.134 0.011 -2.946 1.00 30.35 C ATOM 786 C PHE A 48 -8.690 1.394 -3.389 1.00 24.02 C ATOM 787 O PHE A 48 -8.335 2.430 -2.818 1.00 62.11 O ATOM 788 CB PHE A 48 -6.892 -0.399 -3.792 1.00 1.20 C ATOM 789 CG PHE A 48 -5.603 0.280 -3.341 1.00 13.21 C ATOM 790 CD1 PHE A 48 -4.857 -0.263 -2.293 1.00 11.10 C ATOM 791 CD2 PHE A 48 -5.151 1.458 -3.933 1.00 72.21 C ATOM 792 CE1 PHE A 48 -3.709 0.357 -1.849 1.00 12.03 C ATOM 793 CE2 PHE A 48 -4.005 2.078 -3.481 1.00 35.40 C ATOM 794 CZ PHE A 48 -3.283 1.523 -2.444 1.00 21.41 C ATOM 0 H PHE A 48 -9.015 -1.673 -3.841 1.00 43.23 H new ATOM 0 HA PHE A 48 -7.831 0.103 -1.903 1.00 30.35 H new ATOM 0 HB2 PHE A 48 -6.764 -1.480 -3.736 1.00 1.20 H new ATOM 0 HB3 PHE A 48 -7.077 -0.154 -4.838 1.00 1.20 H new ATOM 0 HD1 PHE A 48 -5.184 -1.180 -1.825 1.00 11.10 H new ATOM 0 HD2 PHE A 48 -5.704 1.890 -4.754 1.00 72.21 H new ATOM 0 HE1 PHE A 48 -3.144 -0.072 -1.035 1.00 12.03 H new ATOM 0 HE2 PHE A 48 -3.673 2.998 -3.939 1.00 35.40 H new ATOM 0 HZ PHE A 48 -2.381 2.005 -2.098 1.00 21.41 H new ATOM 804 N ASN A 49 -9.582 1.378 -4.404 1.00 24.33 N ATOM 805 CA ASN A 49 -10.244 2.589 -4.952 1.00 41.41 C ATOM 806 C ASN A 49 -11.249 3.221 -3.960 1.00 72.02 C ATOM 807 O ASN A 49 -11.556 4.404 -4.083 1.00 73.00 O ATOM 808 CB ASN A 49 -10.929 2.287 -6.316 1.00 43.53 C ATOM 809 CG ASN A 49 -9.964 2.208 -7.513 1.00 11.02 C ATOM 810 OD1 ASN A 49 -10.332 2.542 -8.633 1.00 53.42 O ATOM 811 ND2 ASN A 49 -8.737 1.765 -7.308 1.00 45.22 N ATOM 0 H ASN A 49 -9.867 0.518 -4.872 1.00 24.33 H new ATOM 0 HA ASN A 49 -9.456 3.324 -5.115 1.00 41.41 H new ATOM 0 HB2 ASN A 49 -11.467 1.342 -6.236 1.00 43.53 H new ATOM 0 HB3 ASN A 49 -11.671 3.060 -6.514 1.00 43.53 H new ATOM 0 HD21 ASN A 49 -8.082 1.698 -8.087 1.00 45.22 H new ATOM 0 HD22 ASN A 49 -8.444 1.490 -6.370 1.00 45.22 H new ATOM 818 N GLU A 50 -11.801 2.412 -3.030 1.00 11.32 N ATOM 819 CA GLU A 50 -12.652 2.919 -1.922 1.00 61.43 C ATOM 820 C GLU A 50 -11.894 3.996 -1.086 1.00 50.40 C ATOM 821 O GLU A 50 -12.415 5.087 -0.836 1.00 24.02 O ATOM 822 CB GLU A 50 -13.106 1.732 -1.019 1.00 73.04 C ATOM 823 CG GLU A 50 -14.000 2.114 0.187 1.00 34.22 C ATOM 824 CD GLU A 50 -15.336 2.782 -0.206 1.00 64.14 C ATOM 825 OE1 GLU A 50 -16.242 2.072 -0.701 1.00 43.34 O ATOM 826 OE2 GLU A 50 -15.494 4.014 -0.021 1.00 32.22 O ATOM 0 H GLU A 50 -11.674 1.400 -3.022 1.00 11.32 H new ATOM 0 HA GLU A 50 -13.536 3.394 -2.348 1.00 61.43 H new ATOM 0 HB2 GLU A 50 -13.647 1.015 -1.637 1.00 73.04 H new ATOM 0 HB3 GLU A 50 -12.218 1.224 -0.644 1.00 73.04 H new ATOM 0 HG2 GLU A 50 -14.212 1.216 0.767 1.00 34.22 H new ATOM 0 HG3 GLU A 50 -13.445 2.790 0.837 1.00 34.22 H new ATOM 833 N MET A 51 -10.636 3.690 -0.708 1.00 62.42 N ATOM 834 CA MET A 51 -9.751 4.641 0.013 1.00 3.13 C ATOM 835 C MET A 51 -9.238 5.763 -0.935 1.00 45.21 C ATOM 836 O MET A 51 -9.251 6.953 -0.589 1.00 2.42 O ATOM 837 CB MET A 51 -8.554 3.874 0.639 1.00 40.11 C ATOM 838 CG MET A 51 -7.553 4.762 1.392 1.00 32.44 C ATOM 839 SD MET A 51 -8.319 5.718 2.715 1.00 34.12 S ATOM 840 CE MET A 51 -6.988 6.822 3.197 1.00 53.03 C ATOM 0 H MET A 51 -10.203 2.785 -0.890 1.00 62.42 H new ATOM 0 HA MET A 51 -10.330 5.114 0.806 1.00 3.13 H new ATOM 0 HB2 MET A 51 -8.940 3.121 1.326 1.00 40.11 H new ATOM 0 HB3 MET A 51 -8.025 3.343 -0.152 1.00 40.11 H new ATOM 0 HG2 MET A 51 -6.765 4.137 1.812 1.00 32.44 H new ATOM 0 HG3 MET A 51 -7.078 5.444 0.687 1.00 32.44 H new ATOM 0 HE1 MET A 51 -6.777 6.696 4.259 1.00 53.03 H new ATOM 0 HE2 MET A 51 -6.094 6.588 2.619 1.00 53.03 H new ATOM 0 HE3 MET A 51 -7.284 7.854 3.006 1.00 53.03 H new ATOM 850 N MET A 52 -8.828 5.351 -2.152 1.00 25.41 N ATOM 851 CA MET A 52 -8.286 6.255 -3.197 1.00 71.22 C ATOM 852 C MET A 52 -9.350 7.272 -3.728 1.00 40.13 C ATOM 853 O MET A 52 -8.997 8.308 -4.308 1.00 23.50 O ATOM 854 CB MET A 52 -7.670 5.392 -4.345 1.00 21.30 C ATOM 855 CG MET A 52 -7.175 6.174 -5.575 1.00 35.03 C ATOM 856 SD MET A 52 -6.246 5.174 -6.754 1.00 4.51 S ATOM 857 CE MET A 52 -4.715 4.885 -5.861 1.00 4.11 C ATOM 0 H MET A 52 -8.863 4.374 -2.443 1.00 25.41 H new ATOM 0 HA MET A 52 -7.503 6.870 -2.752 1.00 71.22 H new ATOM 0 HB2 MET A 52 -6.834 4.823 -3.938 1.00 21.30 H new ATOM 0 HB3 MET A 52 -8.418 4.670 -4.673 1.00 21.30 H new ATOM 0 HG2 MET A 52 -8.033 6.613 -6.083 1.00 35.03 H new ATOM 0 HG3 MET A 52 -6.547 6.999 -5.240 1.00 35.03 H new ATOM 0 HE1 MET A 52 -4.006 4.371 -6.511 1.00 4.11 H new ATOM 0 HE2 MET A 52 -4.292 5.839 -5.545 1.00 4.11 H new ATOM 0 HE3 MET A 52 -4.916 4.269 -4.984 1.00 4.11 H new ATOM 867 N SER A 53 -10.644 6.986 -3.466 1.00 21.05 N ATOM 868 CA SER A 53 -11.787 7.868 -3.829 1.00 35.43 C ATOM 869 C SER A 53 -11.638 9.304 -3.257 1.00 44.12 C ATOM 870 O SER A 53 -12.134 10.271 -3.845 1.00 51.04 O ATOM 871 CB SER A 53 -13.108 7.234 -3.325 1.00 4.12 C ATOM 872 OG SER A 53 -14.244 8.020 -3.655 1.00 13.43 O ATOM 0 H SER A 53 -10.933 6.130 -2.992 1.00 21.05 H new ATOM 0 HA SER A 53 -11.800 7.957 -4.915 1.00 35.43 H new ATOM 0 HB2 SER A 53 -13.219 6.240 -3.757 1.00 4.12 H new ATOM 0 HB3 SER A 53 -13.058 7.108 -2.243 1.00 4.12 H new ATOM 0 HG SER A 53 -15.054 7.582 -3.319 1.00 13.43 H new ATOM 878 N LYS A 54 -10.951 9.423 -2.104 1.00 72.50 N ATOM 879 CA LYS A 54 -10.676 10.724 -1.453 1.00 61.45 C ATOM 880 C LYS A 54 -9.375 11.362 -2.004 1.00 72.42 C ATOM 881 O LYS A 54 -9.378 12.518 -2.440 1.00 41.22 O ATOM 882 CB LYS A 54 -10.582 10.525 0.081 1.00 3.33 C ATOM 883 CG LYS A 54 -11.873 9.963 0.716 1.00 61.01 C ATOM 884 CD LYS A 54 -11.750 9.784 2.244 1.00 3.22 C ATOM 885 CE LYS A 54 -13.051 9.265 2.879 1.00 52.23 C ATOM 886 NZ LYS A 54 -12.921 9.073 4.346 1.00 30.34 N ATOM 0 H LYS A 54 -10.571 8.624 -1.597 1.00 72.50 H new ATOM 0 HA LYS A 54 -11.495 11.407 -1.676 1.00 61.45 H new ATOM 0 HB2 LYS A 54 -9.756 9.849 0.300 1.00 3.33 H new ATOM 0 HB3 LYS A 54 -10.344 11.481 0.548 1.00 3.33 H new ATOM 0 HG2 LYS A 54 -12.704 10.634 0.498 1.00 61.01 H new ATOM 0 HG3 LYS A 54 -12.111 9.003 0.259 1.00 61.01 H new ATOM 0 HD2 LYS A 54 -10.940 9.088 2.462 1.00 3.22 H new ATOM 0 HD3 LYS A 54 -11.482 10.738 2.699 1.00 3.22 H new ATOM 0 HE2 LYS A 54 -13.858 9.969 2.676 1.00 52.23 H new ATOM 0 HE3 LYS A 54 -13.328 8.319 2.414 1.00 52.23 H new ATOM 0 HZ1 LYS A 54 -13.821 8.723 4.731 1.00 30.34 H new ATOM 0 HZ2 LYS A 54 -12.169 8.382 4.540 1.00 30.34 H new ATOM 0 HZ3 LYS A 54 -12.682 9.980 4.795 1.00 30.34 H new ATOM 900 N GLU A 55 -8.267 10.586 -1.977 1.00 60.51 N ATOM 901 CA GLU A 55 -6.931 11.018 -2.491 1.00 42.42 C ATOM 902 C GLU A 55 -6.225 9.847 -3.209 1.00 41.24 C ATOM 903 O GLU A 55 -6.271 8.708 -2.735 1.00 4.23 O ATOM 904 CB GLU A 55 -6.032 11.539 -1.326 1.00 33.43 C ATOM 905 CG GLU A 55 -6.517 12.845 -0.663 1.00 53.44 C ATOM 906 CD GLU A 55 -5.674 13.246 0.557 1.00 70.53 C ATOM 907 OE1 GLU A 55 -4.582 13.830 0.379 1.00 54.15 O ATOM 908 OE2 GLU A 55 -6.087 12.963 1.699 1.00 31.41 O ATOM 0 H GLU A 55 -8.266 9.639 -1.599 1.00 60.51 H new ATOM 0 HA GLU A 55 -7.090 11.829 -3.202 1.00 42.42 H new ATOM 0 HB2 GLU A 55 -5.967 10.764 -0.562 1.00 33.43 H new ATOM 0 HB3 GLU A 55 -5.023 11.696 -1.708 1.00 33.43 H new ATOM 0 HG2 GLU A 55 -6.491 13.650 -1.397 1.00 53.44 H new ATOM 0 HG3 GLU A 55 -7.556 12.727 -0.357 1.00 53.44 H new ATOM 915 N GLN A 56 -5.522 10.145 -4.324 1.00 33.32 N ATOM 916 CA GLN A 56 -4.863 9.108 -5.172 1.00 25.12 C ATOM 917 C GLN A 56 -3.506 8.611 -4.587 1.00 34.52 C ATOM 918 O GLN A 56 -2.812 7.824 -5.240 1.00 23.41 O ATOM 919 CB GLN A 56 -4.667 9.626 -6.640 1.00 22.23 C ATOM 920 CG GLN A 56 -3.488 10.604 -6.886 1.00 40.30 C ATOM 921 CD GLN A 56 -3.635 11.956 -6.184 1.00 53.23 C ATOM 922 OE1 GLN A 56 -4.197 12.897 -6.734 1.00 72.03 O ATOM 923 NE2 GLN A 56 -3.108 12.076 -4.978 1.00 50.33 N ATOM 0 H GLN A 56 -5.392 11.098 -4.665 1.00 33.32 H new ATOM 0 HA GLN A 56 -5.536 8.250 -5.181 1.00 25.12 H new ATOM 0 HB2 GLN A 56 -4.532 8.761 -7.290 1.00 22.23 H new ATOM 0 HB3 GLN A 56 -5.588 10.119 -6.952 1.00 22.23 H new ATOM 0 HG2 GLN A 56 -2.564 10.132 -6.551 1.00 40.30 H new ATOM 0 HG3 GLN A 56 -3.389 10.773 -7.958 1.00 40.30 H new ATOM 0 HE21 GLN A 56 -2.646 11.278 -4.542 1.00 50.33 H new ATOM 0 HE22 GLN A 56 -3.164 12.966 -4.483 1.00 50.33 H new ATOM 932 N PHE A 57 -3.168 9.059 -3.346 1.00 4.32 N ATOM 933 CA PHE A 57 -1.863 8.799 -2.662 1.00 65.41 C ATOM 934 C PHE A 57 -0.685 9.551 -3.342 1.00 5.41 C ATOM 935 O PHE A 57 -0.817 10.086 -4.452 1.00 21.52 O ATOM 936 CB PHE A 57 -1.533 7.275 -2.536 1.00 12.55 C ATOM 937 CG PHE A 57 -2.526 6.467 -1.691 1.00 22.10 C ATOM 938 CD1 PHE A 57 -3.656 5.890 -2.270 1.00 43.21 C ATOM 939 CD2 PHE A 57 -2.322 6.289 -0.323 1.00 41.25 C ATOM 940 CE1 PHE A 57 -4.544 5.159 -1.511 1.00 14.21 C ATOM 941 CE2 PHE A 57 -3.211 5.555 0.435 1.00 33.23 C ATOM 942 CZ PHE A 57 -4.324 4.994 -0.159 1.00 12.31 C ATOM 0 H PHE A 57 -3.804 9.621 -2.781 1.00 4.32 H new ATOM 0 HA PHE A 57 -1.983 9.192 -1.652 1.00 65.41 H new ATOM 0 HB2 PHE A 57 -1.493 6.843 -3.536 1.00 12.55 H new ATOM 0 HB3 PHE A 57 -0.538 7.168 -2.103 1.00 12.55 H new ATOM 0 HD1 PHE A 57 -3.837 6.018 -3.327 1.00 43.21 H new ATOM 0 HD2 PHE A 57 -1.457 6.731 0.149 1.00 41.25 H new ATOM 0 HE1 PHE A 57 -5.413 4.715 -1.975 1.00 14.21 H new ATOM 0 HE2 PHE A 57 -3.036 5.419 1.492 1.00 33.23 H new ATOM 0 HZ PHE A 57 -5.023 4.425 0.436 1.00 12.31 H new ATOM 952 N ASN A 58 0.460 9.601 -2.641 1.00 41.44 N ATOM 953 CA ASN A 58 1.713 10.173 -3.177 1.00 31.33 C ATOM 954 C ASN A 58 2.394 9.173 -4.140 1.00 54.24 C ATOM 955 O ASN A 58 2.231 7.958 -4.004 1.00 31.31 O ATOM 956 CB ASN A 58 2.664 10.536 -2.008 1.00 63.01 C ATOM 957 CG ASN A 58 3.948 11.258 -2.437 1.00 31.41 C ATOM 958 OD1 ASN A 58 3.967 12.017 -3.400 1.00 50.13 O ATOM 959 ND2 ASN A 58 5.032 11.022 -1.730 1.00 53.25 N ATOM 0 H ASN A 58 0.546 9.247 -1.688 1.00 41.44 H new ATOM 0 HA ASN A 58 1.479 11.079 -3.737 1.00 31.33 H new ATOM 0 HB2 ASN A 58 2.126 11.167 -1.300 1.00 63.01 H new ATOM 0 HB3 ASN A 58 2.935 9.622 -1.479 1.00 63.01 H new ATOM 0 HD21 ASN A 58 5.912 11.474 -1.979 1.00 53.25 H new ATOM 0 HD22 ASN A 58 4.993 10.387 -0.933 1.00 53.25 H new ATOM 966 N GLU A 59 3.186 9.710 -5.084 1.00 72.33 N ATOM 967 CA GLU A 59 3.909 8.915 -6.110 1.00 64.54 C ATOM 968 C GLU A 59 4.890 7.911 -5.467 1.00 52.31 C ATOM 969 O GLU A 59 4.970 6.751 -5.872 1.00 13.40 O ATOM 970 CB GLU A 59 4.697 9.852 -7.058 1.00 62.22 C ATOM 971 CG GLU A 59 3.867 10.991 -7.669 1.00 30.11 C ATOM 972 CD GLU A 59 4.681 11.890 -8.617 1.00 72.25 C ATOM 973 OE1 GLU A 59 4.813 11.542 -9.812 1.00 22.30 O ATOM 974 OE2 GLU A 59 5.203 12.937 -8.164 1.00 13.11 O ATOM 0 H GLU A 59 3.348 10.714 -5.163 1.00 72.33 H new ATOM 0 HA GLU A 59 3.161 8.357 -6.673 1.00 64.54 H new ATOM 0 HB2 GLU A 59 5.533 10.284 -6.508 1.00 62.22 H new ATOM 0 HB3 GLU A 59 5.122 9.256 -7.866 1.00 62.22 H new ATOM 0 HG2 GLU A 59 3.025 10.566 -8.215 1.00 30.11 H new ATOM 0 HG3 GLU A 59 3.452 11.601 -6.867 1.00 30.11 H new ATOM 981 N ALA A 60 5.631 8.400 -4.457 1.00 34.45 N ATOM 982 CA ALA A 60 6.625 7.608 -3.700 1.00 33.14 C ATOM 983 C ALA A 60 5.983 6.414 -2.942 1.00 25.12 C ATOM 984 O ALA A 60 6.609 5.362 -2.776 1.00 12.53 O ATOM 985 CB ALA A 60 7.363 8.540 -2.734 1.00 24.13 C ATOM 0 H ALA A 60 5.558 9.366 -4.138 1.00 34.45 H new ATOM 0 HA ALA A 60 7.329 7.171 -4.408 1.00 33.14 H new ATOM 0 HB1 ALA A 60 8.100 7.969 -2.169 1.00 24.13 H new ATOM 0 HB2 ALA A 60 7.867 9.324 -3.299 1.00 24.13 H new ATOM 0 HB3 ALA A 60 6.648 8.991 -2.046 1.00 24.13 H new ATOM 991 N GLN A 61 4.728 6.605 -2.498 1.00 45.03 N ATOM 992 CA GLN A 61 3.926 5.546 -1.851 1.00 31.24 C ATOM 993 C GLN A 61 3.518 4.466 -2.879 1.00 42.22 C ATOM 994 O GLN A 61 3.773 3.280 -2.678 1.00 11.21 O ATOM 995 CB GLN A 61 2.659 6.155 -1.197 1.00 21.34 C ATOM 996 CG GLN A 61 2.943 7.258 -0.162 1.00 1.12 C ATOM 997 CD GLN A 61 1.673 7.857 0.453 1.00 1.12 C ATOM 998 OE1 GLN A 61 0.615 7.876 -0.159 1.00 61.21 O ATOM 999 NE2 GLN A 61 1.779 8.399 1.640 1.00 22.32 N ATOM 0 H GLN A 61 4.239 7.497 -2.577 1.00 45.03 H new ATOM 0 HA GLN A 61 4.537 5.080 -1.078 1.00 31.24 H new ATOM 0 HB2 GLN A 61 2.022 6.565 -1.981 1.00 21.34 H new ATOM 0 HB3 GLN A 61 2.096 5.357 -0.714 1.00 21.34 H new ATOM 0 HG2 GLN A 61 3.565 6.848 0.634 1.00 1.12 H new ATOM 0 HG3 GLN A 61 3.517 8.053 -0.637 1.00 1.12 H new ATOM 0 HE21 GLN A 61 2.671 8.373 2.135 1.00 22.32 H new ATOM 0 HE22 GLN A 61 0.970 8.847 2.070 1.00 22.32 H new ATOM 1008 N LEU A 62 2.915 4.919 -3.997 1.00 34.33 N ATOM 1009 CA LEU A 62 2.425 4.050 -5.097 1.00 50.00 C ATOM 1010 C LEU A 62 3.557 3.217 -5.747 1.00 33.21 C ATOM 1011 O LEU A 62 3.314 2.108 -6.228 1.00 75.43 O ATOM 1012 CB LEU A 62 1.725 4.922 -6.164 1.00 45.41 C ATOM 1013 CG LEU A 62 0.452 5.685 -5.675 1.00 53.40 C ATOM 1014 CD1 LEU A 62 -0.019 6.727 -6.713 1.00 33.33 C ATOM 1015 CD2 LEU A 62 -0.687 4.695 -5.315 1.00 40.45 C ATOM 0 H LEU A 62 2.750 5.911 -4.168 1.00 34.33 H new ATOM 0 HA LEU A 62 1.718 3.340 -4.668 1.00 50.00 H new ATOM 0 HB2 LEU A 62 2.442 5.651 -6.541 1.00 45.41 H new ATOM 0 HB3 LEU A 62 1.446 4.285 -7.004 1.00 45.41 H new ATOM 0 HG LEU A 62 0.722 6.228 -4.769 1.00 53.40 H new ATOM 0 HD11 LEU A 62 -0.906 7.238 -6.339 1.00 33.33 H new ATOM 0 HD12 LEU A 62 0.774 7.455 -6.883 1.00 33.33 H new ATOM 0 HD13 LEU A 62 -0.258 6.225 -7.650 1.00 33.33 H new ATOM 0 HD21 LEU A 62 -1.561 5.253 -4.978 1.00 40.45 H new ATOM 0 HD22 LEU A 62 -0.949 4.107 -6.194 1.00 40.45 H new ATOM 0 HD23 LEU A 62 -0.352 4.029 -4.520 1.00 40.45 H new ATOM 1027 N ALA A 63 4.780 3.771 -5.746 1.00 13.12 N ATOM 1028 CA ALA A 63 5.999 3.075 -6.216 1.00 52.20 C ATOM 1029 C ALA A 63 6.197 1.715 -5.497 1.00 45.33 C ATOM 1030 O ALA A 63 6.462 0.686 -6.136 1.00 63.51 O ATOM 1031 CB ALA A 63 7.219 3.987 -6.005 1.00 50.42 C ATOM 0 H ALA A 63 4.957 4.720 -5.418 1.00 13.12 H new ATOM 0 HA ALA A 63 5.886 2.859 -7.278 1.00 52.20 H new ATOM 0 HB1 ALA A 63 8.118 3.477 -6.350 1.00 50.42 H new ATOM 0 HB2 ALA A 63 7.086 4.910 -6.570 1.00 50.42 H new ATOM 0 HB3 ALA A 63 7.319 4.222 -4.945 1.00 50.42 H new ATOM 1037 N LEU A 64 6.044 1.740 -4.163 1.00 40.14 N ATOM 1038 CA LEU A 64 6.112 0.537 -3.311 1.00 20.32 C ATOM 1039 C LEU A 64 4.812 -0.312 -3.409 1.00 3.53 C ATOM 1040 O LEU A 64 4.874 -1.516 -3.643 1.00 45.45 O ATOM 1041 CB LEU A 64 6.387 0.944 -1.834 1.00 3.12 C ATOM 1042 CG LEU A 64 6.646 -0.233 -0.843 1.00 2.21 C ATOM 1043 CD1 LEU A 64 7.893 -1.051 -1.248 1.00 75.35 C ATOM 1044 CD2 LEU A 64 6.750 0.262 0.621 1.00 15.34 C ATOM 0 H LEU A 64 5.869 2.598 -3.641 1.00 40.14 H new ATOM 0 HA LEU A 64 6.934 -0.082 -3.671 1.00 20.32 H new ATOM 0 HB2 LEU A 64 7.252 1.607 -1.815 1.00 3.12 H new ATOM 0 HB3 LEU A 64 5.535 1.519 -1.471 1.00 3.12 H new ATOM 0 HG LEU A 64 5.783 -0.897 -0.901 1.00 2.21 H new ATOM 0 HD11 LEU A 64 8.043 -1.862 -0.536 1.00 75.35 H new ATOM 0 HD12 LEU A 64 7.748 -1.466 -2.245 1.00 75.35 H new ATOM 0 HD13 LEU A 64 8.769 -0.402 -1.249 1.00 75.35 H new ATOM 0 HD21 LEU A 64 6.931 -0.587 1.280 1.00 15.34 H new ATOM 0 HD22 LEU A 64 7.574 0.970 0.708 1.00 15.34 H new ATOM 0 HD23 LEU A 64 5.819 0.752 0.907 1.00 15.34 H new ATOM 1056 N ILE A 65 3.645 0.350 -3.246 1.00 71.14 N ATOM 1057 CA ILE A 65 2.300 -0.301 -3.190 1.00 31.53 C ATOM 1058 C ILE A 65 2.017 -1.239 -4.394 1.00 5.24 C ATOM 1059 O ILE A 65 1.590 -2.386 -4.210 1.00 55.00 O ATOM 1060 CB ILE A 65 1.160 0.792 -3.093 1.00 31.32 C ATOM 1061 CG1 ILE A 65 1.198 1.511 -1.700 1.00 61.00 C ATOM 1062 CG2 ILE A 65 -0.251 0.203 -3.385 1.00 2.13 C ATOM 1063 CD1 ILE A 65 0.233 2.683 -1.554 1.00 45.42 C ATOM 0 H ILE A 65 3.601 1.364 -3.148 1.00 71.14 H new ATOM 0 HA ILE A 65 2.304 -0.923 -2.295 1.00 31.53 H new ATOM 0 HB ILE A 65 1.356 1.532 -3.868 1.00 31.32 H new ATOM 0 HG12 ILE A 65 0.977 0.779 -0.924 1.00 61.00 H new ATOM 0 HG13 ILE A 65 2.212 1.870 -1.520 1.00 61.00 H new ATOM 0 HG21 ILE A 65 -0.998 0.993 -3.306 1.00 2.13 H new ATOM 0 HG22 ILE A 65 -0.270 -0.215 -4.392 1.00 2.13 H new ATOM 0 HG23 ILE A 65 -0.474 -0.582 -2.662 1.00 2.13 H new ATOM 0 HD11 ILE A 65 0.333 3.115 -0.558 1.00 45.42 H new ATOM 0 HD12 ILE A 65 0.465 3.440 -2.303 1.00 45.42 H new ATOM 0 HD13 ILE A 65 -0.789 2.333 -1.697 1.00 45.42 H new ATOM 1075 N ARG A 66 2.243 -0.725 -5.615 1.00 52.44 N ATOM 1076 CA ARG A 66 2.020 -1.490 -6.864 1.00 2.33 C ATOM 1077 C ARG A 66 2.902 -2.755 -6.899 1.00 2.43 C ATOM 1078 O ARG A 66 2.426 -3.839 -7.234 1.00 64.22 O ATOM 1079 CB ARG A 66 2.303 -0.595 -8.096 1.00 11.10 C ATOM 1080 CG ARG A 66 1.348 0.615 -8.232 1.00 75.22 C ATOM 1081 CD ARG A 66 1.746 1.567 -9.376 1.00 20.10 C ATOM 1082 NE ARG A 66 3.086 2.161 -9.174 1.00 14.35 N ATOM 1083 CZ ARG A 66 3.576 3.185 -9.844 1.00 34.14 C ATOM 1084 NH1 ARG A 66 2.867 3.830 -10.715 1.00 62.25 N ATOM 1085 NH2 ARG A 66 4.784 3.574 -9.616 1.00 35.23 N ATOM 0 H ARG A 66 2.583 0.224 -5.769 1.00 52.44 H new ATOM 0 HA ARG A 66 0.977 -1.806 -6.893 1.00 2.33 H new ATOM 0 HB2 ARG A 66 3.328 -0.230 -8.038 1.00 11.10 H new ATOM 0 HB3 ARG A 66 2.232 -1.203 -8.998 1.00 11.10 H new ATOM 0 HG2 ARG A 66 0.334 0.254 -8.403 1.00 75.22 H new ATOM 0 HG3 ARG A 66 1.335 1.169 -7.293 1.00 75.22 H new ATOM 0 HD2 ARG A 66 1.731 1.022 -10.320 1.00 20.10 H new ATOM 0 HD3 ARG A 66 1.007 2.364 -9.456 1.00 20.10 H new ATOM 0 HE ARG A 66 3.680 1.744 -8.457 1.00 14.35 H new ATOM 0 HH11 ARG A 66 1.903 3.549 -10.897 1.00 62.25 H new ATOM 0 HH12 ARG A 66 3.272 4.619 -11.219 1.00 62.25 H new ATOM 0 HH21 ARG A 66 5.353 3.090 -8.921 1.00 35.23 H new ATOM 0 HH22 ARG A 66 5.171 4.366 -10.130 1.00 35.23 H new ATOM 1099 N ASP A 67 4.173 -2.593 -6.498 1.00 33.23 N ATOM 1100 CA ASP A 67 5.143 -3.701 -6.405 1.00 42.43 C ATOM 1101 C ASP A 67 4.692 -4.777 -5.376 1.00 5.34 C ATOM 1102 O ASP A 67 4.855 -5.968 -5.621 1.00 52.01 O ATOM 1103 CB ASP A 67 6.540 -3.134 -6.039 1.00 2.22 C ATOM 1104 CG ASP A 67 7.629 -4.214 -5.914 1.00 74.43 C ATOM 1105 OD1 ASP A 67 8.182 -4.644 -6.949 1.00 25.31 O ATOM 1106 OD2 ASP A 67 7.909 -4.669 -4.784 1.00 32.34 O ATOM 0 H ASP A 67 4.560 -1.689 -6.228 1.00 33.23 H new ATOM 0 HA ASP A 67 5.197 -4.195 -7.375 1.00 42.43 H new ATOM 0 HB2 ASP A 67 6.841 -2.413 -6.799 1.00 2.22 H new ATOM 0 HB3 ASP A 67 6.467 -2.592 -5.096 1.00 2.22 H new ATOM 1111 N ILE A 68 4.125 -4.335 -4.235 1.00 15.34 N ATOM 1112 CA ILE A 68 3.621 -5.235 -3.164 1.00 72.35 C ATOM 1113 C ILE A 68 2.394 -6.075 -3.643 1.00 2.12 C ATOM 1114 O ILE A 68 2.297 -7.271 -3.346 1.00 4.11 O ATOM 1115 CB ILE A 68 3.239 -4.419 -1.866 1.00 14.51 C ATOM 1116 CG1 ILE A 68 4.476 -3.670 -1.269 1.00 70.34 C ATOM 1117 CG2 ILE A 68 2.595 -5.317 -0.783 1.00 55.33 C ATOM 1118 CD1 ILE A 68 4.163 -2.811 -0.043 1.00 73.23 C ATOM 0 H ILE A 68 4.001 -3.345 -4.025 1.00 15.34 H new ATOM 0 HA ILE A 68 4.431 -5.923 -2.922 1.00 72.35 H new ATOM 0 HB ILE A 68 2.501 -3.679 -2.177 1.00 14.51 H new ATOM 0 HG12 ILE A 68 5.235 -4.405 -0.999 1.00 70.34 H new ATOM 0 HG13 ILE A 68 4.909 -3.035 -2.042 1.00 70.34 H new ATOM 0 HG21 ILE A 68 2.349 -4.714 0.091 1.00 55.33 H new ATOM 0 HG22 ILE A 68 1.686 -5.770 -1.179 1.00 55.33 H new ATOM 0 HG23 ILE A 68 3.296 -6.101 -0.497 1.00 55.33 H new ATOM 0 HD11 ILE A 68 5.076 -2.328 0.306 1.00 73.23 H new ATOM 0 HD12 ILE A 68 3.429 -2.050 -0.309 1.00 73.23 H new ATOM 0 HD13 ILE A 68 3.760 -3.441 0.750 1.00 73.23 H new ATOM 1130 N ARG A 69 1.465 -5.434 -4.386 1.00 42.44 N ATOM 1131 CA ARG A 69 0.264 -6.114 -4.941 1.00 31.33 C ATOM 1132 C ARG A 69 0.641 -7.135 -6.047 1.00 24.34 C ATOM 1133 O ARG A 69 0.093 -8.245 -6.097 1.00 42.11 O ATOM 1134 CB ARG A 69 -0.760 -5.078 -5.489 1.00 31.11 C ATOM 1135 CG ARG A 69 -1.351 -4.133 -4.418 1.00 73.31 C ATOM 1136 CD ARG A 69 -2.478 -3.224 -4.949 1.00 3.12 C ATOM 1137 NE ARG A 69 -2.046 -2.413 -6.105 1.00 11.33 N ATOM 1138 CZ ARG A 69 -2.773 -1.498 -6.711 1.00 65.24 C ATOM 1139 NH1 ARG A 69 -3.949 -1.154 -6.267 1.00 74.40 N ATOM 1140 NH2 ARG A 69 -2.302 -0.910 -7.761 1.00 71.41 N ATOM 0 H ARG A 69 1.521 -4.442 -4.618 1.00 42.44 H new ATOM 0 HA ARG A 69 -0.200 -6.664 -4.122 1.00 31.33 H new ATOM 0 HB2 ARG A 69 -0.274 -4.477 -6.257 1.00 31.11 H new ATOM 0 HB3 ARG A 69 -1.576 -5.614 -5.973 1.00 31.11 H new ATOM 0 HG2 ARG A 69 -1.737 -4.730 -3.592 1.00 73.31 H new ATOM 0 HG3 ARG A 69 -0.553 -3.510 -4.015 1.00 73.31 H new ATOM 0 HD2 ARG A 69 -3.331 -3.838 -5.237 1.00 3.12 H new ATOM 0 HD3 ARG A 69 -2.816 -2.563 -4.150 1.00 3.12 H new ATOM 0 HE ARG A 69 -1.105 -2.575 -6.464 1.00 11.33 H new ATOM 0 HH11 ARG A 69 -4.328 -1.597 -5.430 1.00 74.40 H new ATOM 0 HH12 ARG A 69 -4.491 -0.442 -6.757 1.00 74.40 H new ATOM 0 HH21 ARG A 69 -1.376 -1.157 -8.112 1.00 71.41 H new ATOM 0 HH22 ARG A 69 -2.856 -0.199 -8.239 1.00 71.41 H new ATOM 1154 N ARG A 70 1.595 -6.752 -6.918 1.00 70.41 N ATOM 1155 CA ARG A 70 2.130 -7.640 -7.984 1.00 45.14 C ATOM 1156 C ARG A 70 3.032 -8.760 -7.393 1.00 73.51 C ATOM 1157 O ARG A 70 3.228 -9.806 -8.013 1.00 13.42 O ATOM 1158 CB ARG A 70 2.921 -6.812 -9.030 1.00 4.11 C ATOM 1159 CG ARG A 70 2.109 -5.705 -9.743 1.00 72.25 C ATOM 1160 CD ARG A 70 0.961 -6.242 -10.607 1.00 63.32 C ATOM 1161 NE ARG A 70 0.220 -5.139 -11.253 1.00 73.11 N ATOM 1162 CZ ARG A 70 0.195 -4.874 -12.545 1.00 33.20 C ATOM 1163 NH1 ARG A 70 0.893 -5.571 -13.389 1.00 71.00 N ATOM 1164 NH2 ARG A 70 -0.525 -3.888 -12.979 1.00 24.14 N ATOM 0 H ARG A 70 2.019 -5.824 -6.908 1.00 70.41 H new ATOM 0 HA ARG A 70 1.282 -8.117 -8.475 1.00 45.14 H new ATOM 0 HB2 ARG A 70 3.776 -6.352 -8.535 1.00 4.11 H new ATOM 0 HB3 ARG A 70 3.318 -7.492 -9.784 1.00 4.11 H new ATOM 0 HG2 ARG A 70 1.701 -5.026 -8.994 1.00 72.25 H new ATOM 0 HG3 ARG A 70 2.782 -5.120 -10.371 1.00 72.25 H new ATOM 0 HD2 ARG A 70 1.358 -6.913 -11.369 1.00 63.32 H new ATOM 0 HD3 ARG A 70 0.281 -6.829 -9.990 1.00 63.32 H new ATOM 0 HE ARG A 70 -0.322 -4.526 -10.644 1.00 73.11 H new ATOM 0 HH11 ARG A 70 1.475 -6.340 -13.057 1.00 71.00 H new ATOM 0 HH12 ARG A 70 0.859 -5.350 -14.384 1.00 71.00 H new ATOM 0 HH21 ARG A 70 -1.066 -3.324 -12.323 1.00 24.14 H new ATOM 0 HH22 ARG A 70 -0.551 -3.675 -13.976 1.00 24.14 H new ATOM 1178 N ARG A 71 3.595 -8.505 -6.201 1.00 20.10 N ATOM 1179 CA ARG A 71 4.365 -9.509 -5.427 1.00 54.45 C ATOM 1180 C ARG A 71 3.411 -10.519 -4.748 1.00 22.20 C ATOM 1181 O ARG A 71 3.702 -11.718 -4.670 1.00 41.23 O ATOM 1182 CB ARG A 71 5.215 -8.789 -4.346 1.00 71.04 C ATOM 1183 CG ARG A 71 6.204 -9.685 -3.566 1.00 32.34 C ATOM 1184 CD ARG A 71 6.794 -8.979 -2.326 1.00 53.55 C ATOM 1185 NE ARG A 71 7.377 -7.657 -2.643 1.00 33.33 N ATOM 1186 CZ ARG A 71 8.534 -7.206 -2.206 1.00 2.22 C ATOM 1187 NH1 ARG A 71 9.333 -7.956 -1.518 1.00 32.15 N ATOM 1188 NH2 ARG A 71 8.892 -6.002 -2.478 1.00 31.15 N ATOM 0 H ARG A 71 3.533 -7.597 -5.741 1.00 20.10 H new ATOM 0 HA ARG A 71 5.019 -10.051 -6.109 1.00 54.45 H new ATOM 0 HB2 ARG A 71 5.779 -7.989 -4.826 1.00 71.04 H new ATOM 0 HB3 ARG A 71 4.539 -8.318 -3.632 1.00 71.04 H new ATOM 0 HG2 ARG A 71 5.694 -10.596 -3.252 1.00 32.34 H new ATOM 0 HG3 ARG A 71 7.016 -9.986 -4.228 1.00 32.34 H new ATOM 0 HD2 ARG A 71 6.012 -8.856 -1.577 1.00 53.55 H new ATOM 0 HD3 ARG A 71 7.562 -9.613 -1.883 1.00 53.55 H new ATOM 0 HE ARG A 71 6.837 -7.043 -3.252 1.00 33.33 H new ATOM 0 HH11 ARG A 71 9.071 -8.918 -1.304 1.00 32.15 H new ATOM 0 HH12 ARG A 71 10.225 -7.585 -1.190 1.00 32.15 H new ATOM 0 HH21 ARG A 71 8.281 -5.401 -3.030 1.00 31.15 H new ATOM 0 HH22 ARG A 71 9.787 -5.648 -2.142 1.00 31.15 H new