USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=6 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 Set 1.1: A 58 ASN : amide:sc= 0 X(o=0,f=0.024) USER MOD Set 1.2: A 61 GLN : amide:sc= 0 X(o=0,f=0.024) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.668 K(o=-0.75,f=-3) USER MOD Set 2.2: A 52 MET CE :methyl 143:sc= -0.0851 (180deg=-0.983) USER MOD Single : A 22 THR OG1 : rot -115:sc= -0.101 USER MOD Single : A 29 LYS NZ :NH3+ -160:sc= -0.0699 (180deg=-0.447) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc=-0.00607 X(o=-0.0061,f=-0.45) USER MOD Single : A 51 MET CE :methyl 174:sc= -0.0564 (180deg=-0.175) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 147:sc= 0.0115 (180deg=-1.47!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.335 -6.063 13.156 1.00 73.32 N ATOM 330 CA LEU A 21 7.414 -5.361 11.867 1.00 52.33 C ATOM 331 C LEU A 21 8.603 -5.889 11.035 1.00 11.23 C ATOM 332 O LEU A 21 9.759 -5.531 11.292 1.00 31.10 O ATOM 333 CB LEU A 21 7.557 -3.819 12.071 1.00 32.31 C ATOM 334 CG LEU A 21 6.474 -3.099 12.943 1.00 1.31 C ATOM 335 CD1 LEU A 21 6.705 -1.565 12.952 1.00 23.14 C ATOM 336 CD2 LEU A 21 5.034 -3.444 12.478 1.00 15.10 C ATOM 0 HA LEU A 21 6.486 -5.554 11.329 1.00 52.33 H new ATOM 0 HB2 LEU A 21 8.531 -3.629 12.521 1.00 32.31 H new ATOM 0 HB3 LEU A 21 7.563 -3.349 11.087 1.00 32.31 H new ATOM 0 HG LEU A 21 6.579 -3.467 13.964 1.00 1.31 H new ATOM 0 HD11 LEU A 21 5.941 -1.086 13.564 1.00 23.14 H new ATOM 0 HD12 LEU A 21 7.690 -1.348 13.365 1.00 23.14 H new ATOM 0 HD13 LEU A 21 6.647 -1.182 11.933 1.00 23.14 H new ATOM 0 HD21 LEU A 21 4.313 -2.924 13.109 1.00 15.10 H new ATOM 0 HD22 LEU A 21 4.901 -3.131 11.442 1.00 15.10 H new ATOM 0 HD23 LEU A 21 4.875 -4.519 12.555 1.00 15.10 H new ATOM 348 N THR A 22 8.308 -6.778 10.076 1.00 21.22 N ATOM 349 CA THR A 22 9.292 -7.209 9.057 1.00 31.32 C ATOM 350 C THR A 22 9.661 -6.024 8.129 1.00 33.41 C ATOM 351 O THR A 22 8.985 -4.985 8.143 1.00 41.35 O ATOM 352 CB THR A 22 8.766 -8.430 8.217 1.00 23.41 C ATOM 353 OG1 THR A 22 9.684 -8.762 7.160 1.00 52.10 O ATOM 354 CG2 THR A 22 7.369 -8.181 7.625 1.00 31.32 C ATOM 0 H THR A 22 7.393 -7.218 9.980 1.00 21.22 H new ATOM 0 HA THR A 22 10.189 -7.538 9.581 1.00 31.32 H new ATOM 0 HB THR A 22 8.690 -9.268 8.910 1.00 23.41 H new ATOM 0 HG1 THR A 22 9.257 -8.599 6.293 1.00 52.10 H new ATOM 0 HG21 THR A 22 7.054 -9.055 7.055 1.00 31.32 H new ATOM 0 HG22 THR A 22 6.659 -7.999 8.432 1.00 31.32 H new ATOM 0 HG23 THR A 22 7.402 -7.312 6.968 1.00 31.32 H new ATOM 362 N ARG A 23 10.724 -6.193 7.314 1.00 12.35 N ATOM 363 CA ARG A 23 11.234 -5.127 6.411 1.00 55.24 C ATOM 364 C ARG A 23 10.154 -4.588 5.435 1.00 41.24 C ATOM 365 O ARG A 23 10.298 -3.488 4.896 1.00 32.01 O ATOM 366 CB ARG A 23 12.491 -5.592 5.638 1.00 71.14 C ATOM 367 CG ARG A 23 13.684 -6.000 6.544 1.00 12.23 C ATOM 368 CD ARG A 23 15.019 -6.061 5.776 1.00 61.41 C ATOM 369 NE ARG A 23 15.416 -4.726 5.286 1.00 43.02 N ATOM 370 CZ ARG A 23 16.129 -4.474 4.210 1.00 65.34 C ATOM 371 NH1 ARG A 23 16.561 -5.424 3.445 1.00 51.21 N ATOM 372 NH2 ARG A 23 16.411 -3.249 3.910 1.00 72.14 N ATOM 0 H ARG A 23 11.253 -7.064 7.260 1.00 12.35 H new ATOM 0 HA ARG A 23 11.515 -4.296 7.058 1.00 55.24 H new ATOM 0 HB2 ARG A 23 12.222 -6.440 5.007 1.00 71.14 H new ATOM 0 HB3 ARG A 23 12.812 -4.790 4.974 1.00 71.14 H new ATOM 0 HG2 ARG A 23 13.773 -5.287 7.364 1.00 12.23 H new ATOM 0 HG3 ARG A 23 13.481 -6.974 6.989 1.00 12.23 H new ATOM 0 HD2 ARG A 23 15.798 -6.459 6.427 1.00 61.41 H new ATOM 0 HD3 ARG A 23 14.926 -6.747 4.934 1.00 61.41 H new ATOM 0 HE ARG A 23 15.108 -3.923 5.834 1.00 43.02 H new ATOM 0 HH11 ARG A 23 16.350 -6.396 3.671 1.00 51.21 H new ATOM 0 HH12 ARG A 23 17.112 -5.201 2.616 1.00 51.21 H new ATOM 0 HH21 ARG A 23 16.081 -2.489 4.505 1.00 72.14 H new ATOM 0 HH22 ARG A 23 16.963 -3.042 3.078 1.00 72.14 H new ATOM 386 N ASP A 24 9.095 -5.388 5.209 1.00 53.51 N ATOM 387 CA ASP A 24 7.909 -4.971 4.441 1.00 33.43 C ATOM 388 C ASP A 24 7.156 -3.803 5.150 1.00 14.43 C ATOM 389 O ASP A 24 6.901 -2.762 4.542 1.00 64.30 O ATOM 390 CB ASP A 24 6.970 -6.186 4.235 1.00 14.31 C ATOM 391 CG ASP A 24 7.696 -7.392 3.615 1.00 12.23 C ATOM 392 OD1 ASP A 24 8.261 -8.213 4.375 1.00 61.41 O ATOM 393 OD2 ASP A 24 7.759 -7.494 2.372 1.00 62.23 O ATOM 0 H ASP A 24 9.039 -6.346 5.556 1.00 53.51 H new ATOM 0 HA ASP A 24 8.236 -4.603 3.468 1.00 33.43 H new ATOM 0 HB2 ASP A 24 6.542 -6.477 5.194 1.00 14.31 H new ATOM 0 HB3 ASP A 24 6.140 -5.895 3.591 1.00 14.31 H new ATOM 398 N GLU A 25 6.791 -3.985 6.437 1.00 51.14 N ATOM 399 CA GLU A 25 6.161 -2.908 7.255 1.00 74.34 C ATOM 400 C GLU A 25 7.126 -1.719 7.500 1.00 4.22 C ATOM 401 O GLU A 25 6.675 -0.592 7.691 1.00 3.34 O ATOM 402 CB GLU A 25 5.607 -3.471 8.608 1.00 32.24 C ATOM 403 CG GLU A 25 4.152 -4.029 8.556 1.00 32.41 C ATOM 404 CD GLU A 25 3.943 -5.318 7.740 1.00 71.15 C ATOM 405 OE1 GLU A 25 4.918 -6.056 7.493 1.00 23.23 O ATOM 406 OE2 GLU A 25 2.774 -5.612 7.374 1.00 24.45 O ATOM 0 H GLU A 25 6.919 -4.864 6.938 1.00 51.14 H new ATOM 0 HA GLU A 25 5.319 -2.525 6.678 1.00 74.34 H new ATOM 0 HB2 GLU A 25 6.270 -4.265 8.950 1.00 32.24 H new ATOM 0 HB3 GLU A 25 5.647 -2.678 9.355 1.00 32.24 H new ATOM 0 HG2 GLU A 25 3.820 -4.214 9.578 1.00 32.41 H new ATOM 0 HG3 GLU A 25 3.504 -3.255 8.145 1.00 32.41 H new ATOM 413 N LEU A 26 8.449 -1.982 7.490 1.00 71.54 N ATOM 414 CA LEU A 26 9.483 -0.930 7.672 1.00 73.12 C ATOM 415 C LEU A 26 9.618 -0.012 6.428 1.00 1.32 C ATOM 416 O LEU A 26 9.775 1.208 6.574 1.00 33.55 O ATOM 417 CB LEU A 26 10.847 -1.569 8.026 1.00 3.44 C ATOM 418 CG LEU A 26 10.876 -2.421 9.335 1.00 42.23 C ATOM 419 CD1 LEU A 26 12.266 -3.049 9.569 1.00 74.30 C ATOM 420 CD2 LEU A 26 10.420 -1.591 10.565 1.00 51.21 C ATOM 0 H LEU A 26 8.833 -2.918 7.357 1.00 71.54 H new ATOM 0 HA LEU A 26 9.158 -0.300 8.500 1.00 73.12 H new ATOM 0 HB2 LEU A 26 11.157 -2.202 7.195 1.00 3.44 H new ATOM 0 HB3 LEU A 26 11.588 -0.774 8.115 1.00 3.44 H new ATOM 0 HG LEU A 26 10.164 -3.236 9.207 1.00 42.23 H new ATOM 0 HD11 LEU A 26 12.251 -3.635 10.488 1.00 74.30 H new ATOM 0 HD12 LEU A 26 12.518 -3.697 8.730 1.00 74.30 H new ATOM 0 HD13 LEU A 26 13.012 -2.259 9.655 1.00 74.30 H new ATOM 0 HD21 LEU A 26 10.453 -2.216 11.458 1.00 51.21 H new ATOM 0 HD22 LEU A 26 11.085 -0.737 10.695 1.00 51.21 H new ATOM 0 HD23 LEU A 26 9.401 -1.236 10.407 1.00 51.21 H new ATOM 432 N ARG A 27 9.554 -0.601 5.209 1.00 72.54 N ATOM 433 CA ARG A 27 9.597 0.179 3.941 1.00 20.34 C ATOM 434 C ARG A 27 8.276 0.971 3.751 1.00 43.40 C ATOM 435 O ARG A 27 8.284 2.082 3.215 1.00 60.21 O ATOM 436 CB ARG A 27 9.891 -0.742 2.713 1.00 51.22 C ATOM 437 CG ARG A 27 8.764 -1.731 2.351 1.00 4.22 C ATOM 438 CD ARG A 27 9.141 -2.747 1.258 1.00 63.42 C ATOM 439 NE ARG A 27 9.459 -2.107 -0.031 1.00 2.52 N ATOM 440 CZ ARG A 27 9.305 -2.660 -1.220 1.00 73.34 C ATOM 441 NH1 ARG A 27 8.810 -3.854 -1.359 1.00 53.14 N ATOM 442 NH2 ARG A 27 9.652 -2.004 -2.276 1.00 23.33 N ATOM 0 H ARG A 27 9.473 -1.609 5.074 1.00 72.54 H new ATOM 0 HA ARG A 27 10.417 0.894 4.008 1.00 20.34 H new ATOM 0 HB2 ARG A 27 10.093 -0.112 1.846 1.00 51.22 H new ATOM 0 HB3 ARG A 27 10.800 -1.309 2.913 1.00 51.22 H new ATOM 0 HG2 ARG A 27 8.470 -2.274 3.249 1.00 4.22 H new ATOM 0 HG3 ARG A 27 7.893 -1.166 2.021 1.00 4.22 H new ATOM 0 HD2 ARG A 27 10.000 -3.330 1.591 1.00 63.42 H new ATOM 0 HD3 ARG A 27 8.316 -3.446 1.118 1.00 63.42 H new ATOM 0 HE ARG A 27 9.829 -1.157 -0.002 1.00 2.52 H new ATOM 0 HH11 ARG A 27 8.529 -4.389 -0.537 1.00 53.14 H new ATOM 0 HH12 ARG A 27 8.702 -4.256 -2.290 1.00 53.14 H new ATOM 0 HH21 ARG A 27 10.042 -1.066 -2.188 1.00 23.33 H new ATOM 0 HH22 ARG A 27 9.536 -2.424 -3.198 1.00 23.33 H new ATOM 456 N ALA A 28 7.157 0.379 4.229 1.00 62.03 N ATOM 457 CA ALA A 28 5.838 1.045 4.263 1.00 54.13 C ATOM 458 C ALA A 28 5.860 2.278 5.203 1.00 54.31 C ATOM 459 O ALA A 28 5.458 3.380 4.822 1.00 3.23 O ATOM 460 CB ALA A 28 4.754 0.035 4.686 1.00 24.12 C ATOM 0 H ALA A 28 7.145 -0.571 4.600 1.00 62.03 H new ATOM 0 HA ALA A 28 5.601 1.408 3.263 1.00 54.13 H new ATOM 0 HB1 ALA A 28 3.784 0.531 4.709 1.00 24.12 H new ATOM 0 HB2 ALA A 28 4.724 -0.787 3.971 1.00 24.12 H new ATOM 0 HB3 ALA A 28 4.986 -0.354 5.677 1.00 24.12 H new ATOM 466 N LYS A 29 6.389 2.062 6.416 1.00 44.34 N ATOM 467 CA LYS A 29 6.564 3.105 7.457 1.00 20.33 C ATOM 468 C LYS A 29 7.551 4.231 7.012 1.00 63.54 C ATOM 469 O LYS A 29 7.430 5.383 7.461 1.00 14.34 O ATOM 470 CB LYS A 29 7.045 2.411 8.763 1.00 61.34 C ATOM 471 CG LYS A 29 7.370 3.345 9.949 1.00 51.13 C ATOM 472 CD LYS A 29 7.854 2.573 11.208 1.00 44.25 C ATOM 473 CE LYS A 29 8.488 3.500 12.258 1.00 1.52 C ATOM 474 NZ LYS A 29 9.689 4.194 11.719 1.00 24.44 N ATOM 0 H LYS A 29 6.716 1.143 6.714 1.00 44.34 H new ATOM 0 HA LYS A 29 5.609 3.602 7.627 1.00 20.33 H new ATOM 0 HB2 LYS A 29 6.275 1.708 9.081 1.00 61.34 H new ATOM 0 HB3 LYS A 29 7.936 1.826 8.533 1.00 61.34 H new ATOM 0 HG2 LYS A 29 8.139 4.055 9.646 1.00 51.13 H new ATOM 0 HG3 LYS A 29 6.483 3.925 10.203 1.00 51.13 H new ATOM 0 HD2 LYS A 29 7.010 2.047 11.654 1.00 44.25 H new ATOM 0 HD3 LYS A 29 8.580 1.817 10.910 1.00 44.25 H new ATOM 0 HE2 LYS A 29 7.755 4.238 12.583 1.00 1.52 H new ATOM 0 HE3 LYS A 29 8.766 2.919 13.137 1.00 1.52 H new ATOM 0 HZ1 LYS A 29 10.278 4.531 12.507 1.00 24.44 H new ATOM 0 HZ2 LYS A 29 10.239 3.533 11.134 1.00 24.44 H new ATOM 0 HZ3 LYS A 29 9.391 5.004 11.139 1.00 24.44 H new ATOM 488 N ALA A 30 8.491 3.897 6.102 1.00 45.53 N ATOM 489 CA ALA A 30 9.475 4.862 5.555 1.00 70.22 C ATOM 490 C ALA A 30 8.783 5.979 4.727 1.00 2.42 C ATOM 491 O ALA A 30 9.134 7.161 4.839 1.00 61.31 O ATOM 492 CB ALA A 30 10.521 4.117 4.709 1.00 4.55 C ATOM 0 H ALA A 30 8.591 2.954 5.725 1.00 45.53 H new ATOM 0 HA ALA A 30 9.977 5.349 6.391 1.00 70.22 H new ATOM 0 HB1 ALA A 30 11.241 4.831 4.310 1.00 4.55 H new ATOM 0 HB2 ALA A 30 11.040 3.388 5.331 1.00 4.55 H new ATOM 0 HB3 ALA A 30 10.024 3.604 3.886 1.00 4.55 H new ATOM 498 N LEU A 31 7.800 5.586 3.888 1.00 33.33 N ATOM 499 CA LEU A 31 6.952 6.538 3.118 1.00 2.43 C ATOM 500 C LEU A 31 5.628 6.874 3.851 1.00 64.15 C ATOM 501 O LEU A 31 4.745 7.516 3.271 1.00 23.21 O ATOM 502 CB LEU A 31 6.691 5.981 1.694 1.00 13.03 C ATOM 503 CG LEU A 31 7.943 5.957 0.754 1.00 75.40 C ATOM 504 CD1 LEU A 31 7.620 5.308 -0.599 1.00 13.50 C ATOM 505 CD2 LEU A 31 8.515 7.379 0.545 1.00 35.52 C ATOM 0 H LEU A 31 7.568 4.607 3.722 1.00 33.33 H new ATOM 0 HA LEU A 31 7.497 7.478 3.032 1.00 2.43 H new ATOM 0 HB2 LEU A 31 6.302 4.967 1.782 1.00 13.03 H new ATOM 0 HB3 LEU A 31 5.913 6.581 1.222 1.00 13.03 H new ATOM 0 HG LEU A 31 8.702 5.350 1.248 1.00 75.40 H new ATOM 0 HD11 LEU A 31 8.512 5.309 -1.225 1.00 13.50 H new ATOM 0 HD12 LEU A 31 7.289 4.282 -0.440 1.00 13.50 H new ATOM 0 HD13 LEU A 31 6.829 5.872 -1.094 1.00 13.50 H new ATOM 0 HD21 LEU A 31 9.383 7.329 -0.112 1.00 35.52 H new ATOM 0 HD22 LEU A 31 7.754 8.015 0.093 1.00 35.52 H new ATOM 0 HD23 LEU A 31 8.812 7.797 1.507 1.00 35.52 H new ATOM 517 N HIS A 32 5.528 6.450 5.135 1.00 23.13 N ATOM 518 CA HIS A 32 4.431 6.828 6.064 1.00 34.53 C ATOM 519 C HIS A 32 3.037 6.305 5.611 1.00 32.12 C ATOM 520 O HIS A 32 2.013 6.970 5.823 1.00 42.43 O ATOM 521 CB HIS A 32 4.421 8.374 6.297 1.00 74.13 C ATOM 522 CG HIS A 32 5.625 8.911 7.043 1.00 61.44 C ATOM 523 ND1 HIS A 32 5.544 9.452 8.308 1.00 73.34 N ATOM 524 CD2 HIS A 32 6.937 8.990 6.695 1.00 34.33 C ATOM 525 CE1 HIS A 32 6.736 9.851 8.698 1.00 3.21 C ATOM 526 NE2 HIS A 32 7.600 9.577 7.742 1.00 2.11 N ATOM 0 H HIS A 32 6.215 5.828 5.561 1.00 23.13 H new ATOM 0 HA HIS A 32 4.634 6.334 7.014 1.00 34.53 H new ATOM 0 HB2 HIS A 32 4.358 8.873 5.330 1.00 74.13 H new ATOM 0 HB3 HIS A 32 3.520 8.638 6.851 1.00 74.13 H new ATOM 0 HD2 HIS A 32 7.375 8.653 5.767 1.00 34.33 H new ATOM 0 HE1 HIS A 32 6.967 10.323 9.642 1.00 3.21 H new ATOM 0 HE2 HIS A 32 8.601 9.770 7.775 1.00 2.11 H new ATOM 535 N ILE A 33 3.010 5.087 5.027 1.00 1.04 N ATOM 536 CA ILE A 33 1.756 4.375 4.677 1.00 21.10 C ATOM 537 C ILE A 33 0.926 4.085 5.969 1.00 51.04 C ATOM 538 O ILE A 33 1.450 3.466 6.904 1.00 53.52 O ATOM 539 CB ILE A 33 2.064 3.022 3.913 1.00 11.02 C ATOM 540 CG1 ILE A 33 2.899 3.288 2.613 1.00 44.44 C ATOM 541 CG2 ILE A 33 0.771 2.220 3.588 1.00 51.51 C ATOM 542 CD1 ILE A 33 2.202 4.144 1.563 1.00 53.21 C ATOM 0 H ILE A 33 3.854 4.568 4.784 1.00 1.04 H new ATOM 0 HA ILE A 33 1.175 5.015 4.013 1.00 21.10 H new ATOM 0 HB ILE A 33 2.661 2.406 4.586 1.00 11.02 H new ATOM 0 HG12 ILE A 33 3.834 3.773 2.893 1.00 44.44 H new ATOM 0 HG13 ILE A 33 3.159 2.329 2.164 1.00 44.44 H new ATOM 0 HG21 ILE A 33 1.035 1.301 3.064 1.00 51.51 H new ATOM 0 HG22 ILE A 33 0.253 1.974 4.515 1.00 51.51 H new ATOM 0 HG23 ILE A 33 0.118 2.823 2.957 1.00 51.51 H new ATOM 0 HD11 ILE A 33 2.859 4.271 0.703 1.00 53.21 H new ATOM 0 HD12 ILE A 33 1.281 3.654 1.247 1.00 53.21 H new ATOM 0 HD13 ILE A 33 1.967 5.120 1.987 1.00 53.21 H new ATOM 554 N PRO A 34 -0.375 4.532 6.047 1.00 65.30 N ATOM 555 CA PRO A 34 -1.208 4.378 7.278 1.00 51.12 C ATOM 556 C PRO A 34 -1.706 2.931 7.514 1.00 10.34 C ATOM 557 O PRO A 34 -2.266 2.626 8.572 1.00 12.14 O ATOM 558 CB PRO A 34 -2.383 5.352 7.007 1.00 30.14 C ATOM 559 CG PRO A 34 -2.539 5.341 5.516 1.00 43.21 C ATOM 560 CD PRO A 34 -1.135 5.222 4.958 1.00 42.21 C ATOM 0 HA PRO A 34 -0.647 4.596 8.187 1.00 51.12 H new ATOM 0 HB2 PRO A 34 -3.295 5.023 7.505 1.00 30.14 H new ATOM 0 HB3 PRO A 34 -2.162 6.354 7.376 1.00 30.14 H new ATOM 0 HG2 PRO A 34 -3.161 4.506 5.193 1.00 43.21 H new ATOM 0 HG3 PRO A 34 -3.023 6.253 5.166 1.00 43.21 H new ATOM 0 HD2 PRO A 34 -1.120 4.646 4.033 1.00 42.21 H new ATOM 0 HD3 PRO A 34 -0.710 6.200 4.732 1.00 42.21 H new ATOM 568 N PHE A 35 -1.492 2.055 6.521 1.00 33.35 N ATOM 569 CA PHE A 35 -1.948 0.649 6.555 1.00 61.44 C ATOM 570 C PHE A 35 -0.750 -0.330 6.646 1.00 25.12 C ATOM 571 O PHE A 35 0.349 -0.011 6.174 1.00 4.44 O ATOM 572 CB PHE A 35 -2.763 0.331 5.280 1.00 62.32 C ATOM 573 CG PHE A 35 -3.946 1.265 5.041 1.00 11.14 C ATOM 574 CD1 PHE A 35 -4.962 1.380 5.990 1.00 42.32 C ATOM 575 CD2 PHE A 35 -4.032 2.031 3.882 1.00 24.32 C ATOM 576 CE1 PHE A 35 -6.030 2.231 5.782 1.00 43.51 C ATOM 577 CE2 PHE A 35 -5.097 2.879 3.676 1.00 24.43 C ATOM 578 CZ PHE A 35 -6.095 2.982 4.623 1.00 23.52 C ATOM 0 H PHE A 35 -0.995 2.299 5.664 1.00 33.35 H new ATOM 0 HA PHE A 35 -2.570 0.521 7.441 1.00 61.44 H new ATOM 0 HB2 PHE A 35 -2.098 0.377 4.417 1.00 62.32 H new ATOM 0 HB3 PHE A 35 -3.131 -0.693 5.344 1.00 62.32 H new ATOM 0 HD1 PHE A 35 -4.913 0.797 6.898 1.00 42.32 H new ATOM 0 HD2 PHE A 35 -3.255 1.959 3.136 1.00 24.32 H new ATOM 0 HE1 PHE A 35 -6.812 2.309 6.523 1.00 43.51 H new ATOM 0 HE2 PHE A 35 -5.151 3.465 2.771 1.00 24.43 H new ATOM 0 HZ PHE A 35 -6.928 3.650 4.459 1.00 23.52 H new ATOM 588 N PRO A 36 -0.942 -1.541 7.271 1.00 55.03 N ATOM 589 CA PRO A 36 0.026 -2.662 7.147 1.00 62.21 C ATOM 590 C PRO A 36 0.119 -3.190 5.689 1.00 54.31 C ATOM 591 O PRO A 36 -0.783 -2.965 4.872 1.00 43.01 O ATOM 592 CB PRO A 36 -0.542 -3.755 8.104 1.00 21.01 C ATOM 593 CG PRO A 36 -1.477 -3.012 9.015 1.00 14.14 C ATOM 594 CD PRO A 36 -2.066 -1.902 8.175 1.00 62.02 C ATOM 0 HA PRO A 36 1.041 -2.358 7.404 1.00 62.21 H new ATOM 0 HB2 PRO A 36 -1.065 -4.534 7.550 1.00 21.01 H new ATOM 0 HB3 PRO A 36 0.255 -4.243 8.666 1.00 21.01 H new ATOM 0 HG2 PRO A 36 -2.257 -3.670 9.398 1.00 14.14 H new ATOM 0 HG3 PRO A 36 -0.947 -2.611 9.879 1.00 14.14 H new ATOM 0 HD2 PRO A 36 -2.941 -2.237 7.618 1.00 62.02 H new ATOM 0 HD3 PRO A 36 -2.381 -1.056 8.786 1.00 62.02 H new ATOM 602 N VAL A 37 1.206 -3.903 5.392 1.00 22.22 N ATOM 603 CA VAL A 37 1.447 -4.521 4.066 1.00 4.22 C ATOM 604 C VAL A 37 0.369 -5.576 3.727 1.00 21.24 C ATOM 605 O VAL A 37 -0.124 -5.625 2.591 1.00 64.33 O ATOM 606 CB VAL A 37 2.897 -5.127 4.041 1.00 54.11 C ATOM 607 CG1 VAL A 37 3.178 -6.056 2.841 1.00 73.21 C ATOM 608 CG2 VAL A 37 3.919 -3.976 4.101 1.00 14.54 C ATOM 0 H VAL A 37 1.955 -4.075 6.062 1.00 22.22 H new ATOM 0 HA VAL A 37 1.373 -3.757 3.292 1.00 4.22 H new ATOM 0 HB VAL A 37 2.990 -5.770 4.916 1.00 54.11 H new ATOM 0 HG11 VAL A 37 4.200 -6.430 2.902 1.00 73.21 H new ATOM 0 HG12 VAL A 37 2.483 -6.895 2.860 1.00 73.21 H new ATOM 0 HG13 VAL A 37 3.050 -5.500 1.912 1.00 73.21 H new ATOM 0 HG21 VAL A 37 4.929 -4.385 4.084 1.00 14.54 H new ATOM 0 HG22 VAL A 37 3.779 -3.320 3.242 1.00 14.54 H new ATOM 0 HG23 VAL A 37 3.773 -3.407 5.019 1.00 14.54 H new ATOM 618 N GLU A 38 -0.020 -6.374 4.743 1.00 70.22 N ATOM 619 CA GLU A 38 -1.125 -7.357 4.628 1.00 61.14 C ATOM 620 C GLU A 38 -2.458 -6.695 4.176 1.00 2.54 C ATOM 621 O GLU A 38 -3.205 -7.288 3.414 1.00 0.14 O ATOM 622 CB GLU A 38 -1.343 -8.101 5.974 1.00 75.33 C ATOM 623 CG GLU A 38 -0.137 -8.952 6.440 1.00 44.45 C ATOM 624 CD GLU A 38 -0.438 -9.807 7.689 1.00 64.21 C ATOM 625 OE1 GLU A 38 -1.105 -10.862 7.557 1.00 20.04 O ATOM 626 OE2 GLU A 38 -0.006 -9.439 8.805 1.00 22.42 O ATOM 0 H GLU A 38 0.419 -6.358 5.664 1.00 70.22 H new ATOM 0 HA GLU A 38 -0.829 -8.072 3.861 1.00 61.14 H new ATOM 0 HB2 GLU A 38 -1.574 -7.368 6.747 1.00 75.33 H new ATOM 0 HB3 GLU A 38 -2.214 -8.749 5.879 1.00 75.33 H new ATOM 0 HG2 GLU A 38 0.172 -9.607 5.626 1.00 44.45 H new ATOM 0 HG3 GLU A 38 0.703 -8.292 6.654 1.00 44.45 H new ATOM 633 N LYS A 39 -2.711 -5.452 4.634 1.00 32.12 N ATOM 634 CA LYS A 39 -3.954 -4.702 4.312 1.00 34.24 C ATOM 635 C LYS A 39 -4.080 -4.409 2.789 1.00 61.32 C ATOM 636 O LYS A 39 -5.141 -4.629 2.201 1.00 53.14 O ATOM 637 CB LYS A 39 -3.995 -3.388 5.139 1.00 43.31 C ATOM 638 CG LYS A 39 -5.297 -2.558 5.019 1.00 33.45 C ATOM 639 CD LYS A 39 -6.550 -3.307 5.543 1.00 74.22 C ATOM 640 CE LYS A 39 -7.825 -2.441 5.470 1.00 55.34 C ATOM 641 NZ LYS A 39 -9.023 -3.149 5.998 1.00 1.41 N ATOM 0 H LYS A 39 -2.067 -4.938 5.235 1.00 32.12 H new ATOM 0 HA LYS A 39 -4.808 -5.323 4.581 1.00 34.24 H new ATOM 0 HB2 LYS A 39 -3.840 -3.636 6.189 1.00 43.31 H new ATOM 0 HB3 LYS A 39 -3.157 -2.762 4.833 1.00 43.31 H new ATOM 0 HG2 LYS A 39 -5.179 -1.627 5.574 1.00 33.45 H new ATOM 0 HG3 LYS A 39 -5.453 -2.288 3.975 1.00 33.45 H new ATOM 0 HD2 LYS A 39 -6.697 -4.216 4.960 1.00 74.22 H new ATOM 0 HD3 LYS A 39 -6.381 -3.614 6.575 1.00 74.22 H new ATOM 0 HE2 LYS A 39 -7.670 -1.523 6.036 1.00 55.34 H new ATOM 0 HE3 LYS A 39 -8.005 -2.151 4.435 1.00 55.34 H new ATOM 0 HZ1 LYS A 39 -9.853 -2.527 5.928 1.00 1.41 H new ATOM 0 HZ2 LYS A 39 -9.189 -4.012 5.442 1.00 1.41 H new ATOM 0 HZ3 LYS A 39 -8.865 -3.404 6.994 1.00 1.41 H new ATOM 655 N ILE A 40 -2.976 -3.939 2.164 1.00 41.04 N ATOM 656 CA ILE A 40 -2.917 -3.675 0.698 1.00 13.22 C ATOM 657 C ILE A 40 -3.134 -4.991 -0.105 1.00 75.30 C ATOM 658 O ILE A 40 -3.856 -5.005 -1.112 1.00 74.20 O ATOM 659 CB ILE A 40 -1.548 -2.967 0.269 1.00 25.34 C ATOM 660 CG1 ILE A 40 -1.504 -1.452 0.692 1.00 74.14 C ATOM 661 CG2 ILE A 40 -1.268 -3.082 -1.258 1.00 52.11 C ATOM 662 CD1 ILE A 40 -1.470 -1.174 2.184 1.00 13.24 C ATOM 0 H ILE A 40 -2.105 -3.732 2.652 1.00 41.04 H new ATOM 0 HA ILE A 40 -3.725 -2.983 0.460 1.00 13.22 H new ATOM 0 HB ILE A 40 -0.766 -3.506 0.805 1.00 25.34 H new ATOM 0 HG12 ILE A 40 -0.625 -0.995 0.238 1.00 74.14 H new ATOM 0 HG13 ILE A 40 -2.376 -0.953 0.270 1.00 74.14 H new ATOM 0 HG21 ILE A 40 -0.327 -2.585 -1.494 1.00 52.11 H new ATOM 0 HG22 ILE A 40 -1.203 -4.133 -1.538 1.00 52.11 H new ATOM 0 HG23 ILE A 40 -2.078 -2.608 -1.813 1.00 52.11 H new ATOM 0 HD11 ILE A 40 -1.441 -0.098 2.353 1.00 13.24 H new ATOM 0 HD12 ILE A 40 -2.362 -1.591 2.652 1.00 13.24 H new ATOM 0 HD13 ILE A 40 -0.583 -1.634 2.620 1.00 13.24 H new ATOM 674 N ILE A 41 -2.512 -6.089 0.376 1.00 61.14 N ATOM 675 CA ILE A 41 -2.642 -7.441 -0.230 1.00 63.42 C ATOM 676 C ILE A 41 -4.109 -7.969 -0.160 1.00 31.45 C ATOM 677 O ILE A 41 -4.628 -8.534 -1.136 1.00 53.23 O ATOM 678 CB ILE A 41 -1.679 -8.464 0.494 1.00 50.54 C ATOM 679 CG1 ILE A 41 -0.187 -7.989 0.396 1.00 73.31 C ATOM 680 CG2 ILE A 41 -1.836 -9.906 -0.069 1.00 42.25 C ATOM 681 CD1 ILE A 41 0.805 -8.818 1.209 1.00 32.53 C ATOM 0 H ILE A 41 -1.905 -6.068 1.195 1.00 61.14 H new ATOM 0 HA ILE A 41 -2.362 -7.353 -1.280 1.00 63.42 H new ATOM 0 HB ILE A 41 -1.966 -8.492 1.545 1.00 50.54 H new ATOM 0 HG12 ILE A 41 0.117 -8.008 -0.650 1.00 73.31 H new ATOM 0 HG13 ILE A 41 -0.128 -6.952 0.726 1.00 73.31 H new ATOM 0 HG21 ILE A 41 -1.156 -10.577 0.456 1.00 42.25 H new ATOM 0 HG22 ILE A 41 -2.862 -10.243 0.075 1.00 42.25 H new ATOM 0 HG23 ILE A 41 -1.599 -9.909 -1.133 1.00 42.25 H new ATOM 0 HD11 ILE A 41 1.809 -8.414 1.079 1.00 32.53 H new ATOM 0 HD12 ILE A 41 0.533 -8.780 2.264 1.00 32.53 H new ATOM 0 HD13 ILE A 41 0.782 -9.852 0.866 1.00 32.53 H new ATOM 693 N ASN A 42 -4.764 -7.771 1.000 1.00 72.21 N ATOM 694 CA ASN A 42 -6.133 -8.291 1.264 1.00 41.40 C ATOM 695 C ASN A 42 -7.231 -7.453 0.572 1.00 4.23 C ATOM 696 O ASN A 42 -8.349 -7.942 0.377 1.00 34.23 O ATOM 697 CB ASN A 42 -6.397 -8.365 2.792 1.00 12.31 C ATOM 698 CG ASN A 42 -5.479 -9.361 3.515 1.00 73.42 C ATOM 699 OD1 ASN A 42 -5.074 -10.381 2.959 1.00 64.10 O ATOM 700 ND2 ASN A 42 -5.133 -9.067 4.752 1.00 43.02 N ATOM 0 H ASN A 42 -4.367 -7.249 1.782 1.00 72.21 H new ATOM 0 HA ASN A 42 -6.180 -9.293 0.838 1.00 41.40 H new ATOM 0 HB2 ASN A 42 -6.262 -7.374 3.226 1.00 12.31 H new ATOM 0 HB3 ASN A 42 -7.436 -8.648 2.962 1.00 12.31 H new ATOM 0 HD21 ASN A 42 -4.516 -9.691 5.271 1.00 43.02 H new ATOM 0 HD22 ASN A 42 -5.482 -8.215 5.190 1.00 43.02 H new ATOM 707 N LEU A 43 -6.917 -6.192 0.240 1.00 75.41 N ATOM 708 CA LEU A 43 -7.807 -5.330 -0.568 1.00 71.11 C ATOM 709 C LEU A 43 -7.509 -5.527 -2.078 1.00 1.21 C ATOM 710 O LEU A 43 -6.455 -5.087 -2.543 1.00 14.23 O ATOM 711 CB LEU A 43 -7.629 -3.835 -0.178 1.00 62.02 C ATOM 712 CG LEU A 43 -8.037 -3.450 1.279 1.00 65.05 C ATOM 713 CD1 LEU A 43 -7.767 -1.948 1.561 1.00 62.11 C ATOM 714 CD2 LEU A 43 -9.516 -3.820 1.561 1.00 53.35 C ATOM 0 H LEU A 43 -6.047 -5.739 0.519 1.00 75.41 H new ATOM 0 HA LEU A 43 -8.840 -5.616 -0.368 1.00 71.11 H new ATOM 0 HB2 LEU A 43 -6.583 -3.565 -0.324 1.00 62.02 H new ATOM 0 HB3 LEU A 43 -8.214 -3.228 -0.869 1.00 62.02 H new ATOM 0 HG LEU A 43 -7.415 -4.029 1.962 1.00 65.05 H new ATOM 0 HD11 LEU A 43 -8.061 -1.711 2.583 1.00 62.11 H new ATOM 0 HD12 LEU A 43 -6.705 -1.739 1.431 1.00 62.11 H new ATOM 0 HD13 LEU A 43 -8.345 -1.338 0.867 1.00 62.11 H new ATOM 0 HD21 LEU A 43 -9.772 -3.541 2.583 1.00 53.35 H new ATOM 0 HD22 LEU A 43 -10.164 -3.286 0.865 1.00 53.35 H new ATOM 0 HD23 LEU A 43 -9.653 -4.894 1.433 1.00 53.35 H new ATOM 726 N PRO A 44 -8.421 -6.198 -2.864 1.00 4.23 N ATOM 727 CA PRO A 44 -8.267 -6.331 -4.341 1.00 14.53 C ATOM 728 C PRO A 44 -8.272 -4.952 -5.043 1.00 11.01 C ATOM 729 O PRO A 44 -8.768 -3.979 -4.474 1.00 41.12 O ATOM 730 CB PRO A 44 -9.494 -7.194 -4.763 1.00 64.13 C ATOM 731 CG PRO A 44 -9.918 -7.880 -3.496 1.00 23.31 C ATOM 732 CD PRO A 44 -9.653 -6.879 -2.395 1.00 52.51 C ATOM 0 HA PRO A 44 -7.317 -6.784 -4.624 1.00 14.53 H new ATOM 0 HB2 PRO A 44 -10.295 -6.576 -5.168 1.00 64.13 H new ATOM 0 HB3 PRO A 44 -9.227 -7.915 -5.535 1.00 64.13 H new ATOM 0 HG2 PRO A 44 -10.972 -8.156 -3.532 1.00 23.31 H new ATOM 0 HG3 PRO A 44 -9.353 -8.798 -3.337 1.00 23.31 H new ATOM 0 HD2 PRO A 44 -10.481 -6.181 -2.275 1.00 52.51 H new ATOM 0 HD3 PRO A 44 -9.505 -7.366 -1.431 1.00 52.51 H new ATOM 740 N VAL A 45 -7.736 -4.889 -6.279 1.00 0.33 N ATOM 741 CA VAL A 45 -7.575 -3.612 -7.030 1.00 0.50 C ATOM 742 C VAL A 45 -8.922 -2.848 -7.187 1.00 63.22 C ATOM 743 O VAL A 45 -8.946 -1.627 -7.083 1.00 64.31 O ATOM 744 CB VAL A 45 -6.901 -3.854 -8.439 1.00 12.04 C ATOM 745 CG1 VAL A 45 -6.701 -2.537 -9.231 1.00 24.11 C ATOM 746 CG2 VAL A 45 -5.555 -4.603 -8.283 1.00 61.40 C ATOM 0 H VAL A 45 -7.403 -5.709 -6.787 1.00 0.33 H new ATOM 0 HA VAL A 45 -6.911 -2.982 -6.438 1.00 0.50 H new ATOM 0 HB VAL A 45 -7.586 -4.476 -9.015 1.00 12.04 H new ATOM 0 HG11 VAL A 45 -6.235 -2.757 -10.191 1.00 24.11 H new ATOM 0 HG12 VAL A 45 -7.668 -2.062 -9.397 1.00 24.11 H new ATOM 0 HG13 VAL A 45 -6.059 -1.864 -8.662 1.00 24.11 H new ATOM 0 HG21 VAL A 45 -5.109 -4.759 -9.265 1.00 61.40 H new ATOM 0 HG22 VAL A 45 -4.878 -4.011 -7.667 1.00 61.40 H new ATOM 0 HG23 VAL A 45 -5.729 -5.568 -7.806 1.00 61.40 H new ATOM 756 N VAL A 46 -10.036 -3.594 -7.369 1.00 22.40 N ATOM 757 CA VAL A 46 -11.408 -3.012 -7.433 1.00 55.35 C ATOM 758 C VAL A 46 -11.744 -2.188 -6.155 1.00 63.23 C ATOM 759 O VAL A 46 -12.126 -1.009 -6.227 1.00 64.44 O ATOM 760 CB VAL A 46 -12.506 -4.139 -7.618 1.00 52.44 C ATOM 761 CG1 VAL A 46 -13.935 -3.544 -7.721 1.00 64.40 C ATOM 762 CG2 VAL A 46 -12.201 -5.027 -8.844 1.00 43.13 C ATOM 0 H VAL A 46 -10.016 -4.608 -7.475 1.00 22.40 H new ATOM 0 HA VAL A 46 -11.421 -2.349 -8.298 1.00 55.35 H new ATOM 0 HB VAL A 46 -12.469 -4.763 -6.725 1.00 52.44 H new ATOM 0 HG11 VAL A 46 -14.657 -4.351 -7.847 1.00 64.40 H new ATOM 0 HG12 VAL A 46 -14.165 -2.990 -6.811 1.00 64.40 H new ATOM 0 HG13 VAL A 46 -13.989 -2.872 -8.578 1.00 64.40 H new ATOM 0 HG21 VAL A 46 -12.973 -5.790 -8.942 1.00 43.13 H new ATOM 0 HG22 VAL A 46 -12.182 -4.412 -9.743 1.00 43.13 H new ATOM 0 HG23 VAL A 46 -11.231 -5.507 -8.713 1.00 43.13 H new ATOM 772 N ASP A 47 -11.564 -2.829 -4.988 1.00 32.21 N ATOM 773 CA ASP A 47 -11.851 -2.232 -3.663 1.00 50.15 C ATOM 774 C ASP A 47 -10.846 -1.113 -3.308 1.00 62.05 C ATOM 775 O ASP A 47 -11.227 -0.058 -2.779 1.00 23.21 O ATOM 776 CB ASP A 47 -11.830 -3.344 -2.581 1.00 3.24 C ATOM 777 CG ASP A 47 -12.809 -4.485 -2.893 1.00 52.31 C ATOM 778 OD1 ASP A 47 -12.475 -5.341 -3.742 1.00 32.13 O ATOM 779 OD2 ASP A 47 -13.917 -4.528 -2.309 1.00 21.12 O ATOM 0 H ASP A 47 -11.212 -3.785 -4.932 1.00 32.21 H new ATOM 0 HA ASP A 47 -12.840 -1.776 -3.701 1.00 50.15 H new ATOM 0 HB2 ASP A 47 -10.821 -3.748 -2.499 1.00 3.24 H new ATOM 0 HB3 ASP A 47 -12.080 -2.910 -1.613 1.00 3.24 H new ATOM 784 N PHE A 48 -9.564 -1.347 -3.627 1.00 11.24 N ATOM 785 CA PHE A 48 -8.478 -0.419 -3.289 1.00 40.23 C ATOM 786 C PHE A 48 -8.574 0.891 -4.111 1.00 3.31 C ATOM 787 O PHE A 48 -8.234 1.947 -3.599 1.00 43.30 O ATOM 788 CB PHE A 48 -7.084 -1.084 -3.461 1.00 21.30 C ATOM 789 CG PHE A 48 -5.962 -0.273 -2.790 1.00 52.20 C ATOM 790 CD1 PHE A 48 -5.761 -0.362 -1.409 1.00 11.13 C ATOM 791 CD2 PHE A 48 -5.167 0.611 -3.519 1.00 62.00 C ATOM 792 CE1 PHE A 48 -4.790 0.399 -0.783 1.00 62.21 C ATOM 793 CE2 PHE A 48 -4.204 1.378 -2.889 1.00 11.42 C ATOM 794 CZ PHE A 48 -4.015 1.270 -1.521 1.00 1.25 C ATOM 0 H PHE A 48 -9.253 -2.182 -4.124 1.00 11.24 H new ATOM 0 HA PHE A 48 -8.593 -0.160 -2.237 1.00 40.23 H new ATOM 0 HB2 PHE A 48 -7.108 -2.087 -3.036 1.00 21.30 H new ATOM 0 HB3 PHE A 48 -6.865 -1.193 -4.523 1.00 21.30 H new ATOM 0 HD1 PHE A 48 -6.372 -1.033 -0.824 1.00 11.13 H new ATOM 0 HD2 PHE A 48 -5.305 0.698 -4.587 1.00 62.00 H new ATOM 0 HE1 PHE A 48 -4.639 0.311 0.283 1.00 62.21 H new ATOM 0 HE2 PHE A 48 -3.598 2.062 -3.465 1.00 11.42 H new ATOM 0 HZ PHE A 48 -3.260 1.868 -1.032 1.00 1.25 H new ATOM 804 N ASN A 49 -9.039 0.807 -5.379 1.00 70.30 N ATOM 805 CA ASN A 49 -9.269 2.005 -6.235 1.00 12.01 C ATOM 806 C ASN A 49 -10.314 2.966 -5.611 1.00 23.01 C ATOM 807 O ASN A 49 -10.181 4.186 -5.741 1.00 22.22 O ATOM 808 CB ASN A 49 -9.703 1.606 -7.676 1.00 71.43 C ATOM 809 CG ASN A 49 -8.568 1.006 -8.516 1.00 24.34 C ATOM 810 OD1 ASN A 49 -7.397 1.324 -8.326 1.00 54.55 O ATOM 811 ND2 ASN A 49 -8.901 0.134 -9.447 1.00 41.34 N ATOM 0 H ASN A 49 -9.264 -0.076 -5.837 1.00 70.30 H new ATOM 0 HA ASN A 49 -8.316 2.531 -6.296 1.00 12.01 H new ATOM 0 HB2 ASN A 49 -10.518 0.885 -7.614 1.00 71.43 H new ATOM 0 HB3 ASN A 49 -10.094 2.487 -8.185 1.00 71.43 H new ATOM 0 HD21 ASN A 49 -8.179 -0.292 -10.028 1.00 41.34 H new ATOM 0 HD22 ASN A 49 -9.880 -0.114 -9.586 1.00 41.34 H new ATOM 818 N GLU A 50 -11.352 2.403 -4.951 1.00 23.35 N ATOM 819 CA GLU A 50 -12.350 3.207 -4.196 1.00 43.40 C ATOM 820 C GLU A 50 -11.687 3.921 -2.992 1.00 62.15 C ATOM 821 O GLU A 50 -11.841 5.134 -2.817 1.00 52.31 O ATOM 822 CB GLU A 50 -13.518 2.312 -3.689 1.00 11.34 C ATOM 823 CG GLU A 50 -14.586 3.064 -2.848 1.00 54.31 C ATOM 824 CD GLU A 50 -15.647 2.147 -2.214 1.00 22.34 C ATOM 825 OE1 GLU A 50 -15.345 1.502 -1.188 1.00 74.53 O ATOM 826 OE2 GLU A 50 -16.789 2.076 -2.727 1.00 2.23 O ATOM 0 H GLU A 50 -11.523 1.398 -4.924 1.00 23.35 H new ATOM 0 HA GLU A 50 -12.749 3.957 -4.878 1.00 43.40 H new ATOM 0 HB2 GLU A 50 -14.007 1.853 -4.548 1.00 11.34 H new ATOM 0 HB3 GLU A 50 -13.104 1.502 -3.088 1.00 11.34 H new ATOM 0 HG2 GLU A 50 -14.084 3.621 -2.057 1.00 54.31 H new ATOM 0 HG3 GLU A 50 -15.086 3.794 -3.484 1.00 54.31 H new ATOM 833 N MET A 51 -10.914 3.148 -2.203 1.00 45.43 N ATOM 834 CA MET A 51 -10.254 3.643 -0.970 1.00 63.42 C ATOM 835 C MET A 51 -9.166 4.704 -1.285 1.00 61.34 C ATOM 836 O MET A 51 -8.980 5.657 -0.541 1.00 41.45 O ATOM 837 CB MET A 51 -9.646 2.449 -0.186 1.00 30.34 C ATOM 838 CG MET A 51 -9.130 2.799 1.223 1.00 1.30 C ATOM 839 SD MET A 51 -10.438 3.475 2.280 1.00 2.04 S ATOM 840 CE MET A 51 -9.560 3.798 3.812 1.00 25.22 C ATOM 0 H MET A 51 -10.728 2.164 -2.399 1.00 45.43 H new ATOM 0 HA MET A 51 -11.009 4.131 -0.354 1.00 63.42 H new ATOM 0 HB2 MET A 51 -10.401 1.668 -0.098 1.00 30.34 H new ATOM 0 HB3 MET A 51 -8.823 2.032 -0.766 1.00 30.34 H new ATOM 0 HG2 MET A 51 -8.714 1.905 1.688 1.00 1.30 H new ATOM 0 HG3 MET A 51 -8.319 3.523 1.142 1.00 1.30 H new ATOM 0 HE1 MET A 51 -10.221 4.313 4.509 1.00 25.22 H new ATOM 0 HE2 MET A 51 -9.234 2.855 4.250 1.00 25.22 H new ATOM 0 HE3 MET A 51 -8.691 4.423 3.608 1.00 25.22 H new ATOM 850 N MET A 52 -8.472 4.507 -2.411 1.00 3.22 N ATOM 851 CA MET A 52 -7.420 5.417 -2.915 1.00 1.02 C ATOM 852 C MET A 52 -8.026 6.706 -3.529 1.00 30.04 C ATOM 853 O MET A 52 -7.397 7.769 -3.506 1.00 22.33 O ATOM 854 CB MET A 52 -6.566 4.649 -3.963 1.00 25.02 C ATOM 855 CG MET A 52 -5.396 5.426 -4.586 1.00 55.14 C ATOM 856 SD MET A 52 -4.446 4.422 -5.762 1.00 61.13 S ATOM 857 CE MET A 52 -5.668 4.033 -7.021 1.00 12.40 C ATOM 0 H MET A 52 -8.623 3.698 -3.014 1.00 3.22 H new ATOM 0 HA MET A 52 -6.790 5.734 -2.084 1.00 1.02 H new ATOM 0 HB2 MET A 52 -6.168 3.752 -3.489 1.00 25.02 H new ATOM 0 HB3 MET A 52 -7.225 4.319 -4.766 1.00 25.02 H new ATOM 0 HG2 MET A 52 -5.781 6.310 -5.095 1.00 55.14 H new ATOM 0 HG3 MET A 52 -4.734 5.777 -3.794 1.00 55.14 H new ATOM 0 HE1 MET A 52 -5.194 4.040 -8.003 1.00 12.40 H new ATOM 0 HE2 MET A 52 -6.088 3.046 -6.828 1.00 12.40 H new ATOM 0 HE3 MET A 52 -6.464 4.777 -6.997 1.00 12.40 H new ATOM 867 N SER A 53 -9.253 6.594 -4.080 1.00 4.33 N ATOM 868 CA SER A 53 -9.960 7.741 -4.702 1.00 63.11 C ATOM 869 C SER A 53 -10.468 8.742 -3.635 1.00 14.24 C ATOM 870 O SER A 53 -10.304 9.962 -3.787 1.00 55.34 O ATOM 871 CB SER A 53 -11.137 7.243 -5.569 1.00 21.42 C ATOM 872 OG SER A 53 -11.743 8.309 -6.287 1.00 23.50 O ATOM 0 H SER A 53 -9.778 5.720 -4.108 1.00 4.33 H new ATOM 0 HA SER A 53 -9.246 8.264 -5.338 1.00 63.11 H new ATOM 0 HB2 SER A 53 -10.780 6.488 -6.269 1.00 21.42 H new ATOM 0 HB3 SER A 53 -11.881 6.762 -4.933 1.00 21.42 H new ATOM 0 HG SER A 53 -12.483 7.961 -6.827 1.00 23.50 H new ATOM 878 N LYS A 54 -11.104 8.215 -2.568 1.00 34.42 N ATOM 879 CA LYS A 54 -11.569 9.039 -1.424 1.00 3.50 C ATOM 880 C LYS A 54 -10.377 9.519 -0.558 1.00 12.31 C ATOM 881 O LYS A 54 -10.296 10.700 -0.198 1.00 3.01 O ATOM 882 CB LYS A 54 -12.625 8.268 -0.565 1.00 23.30 C ATOM 883 CG LYS A 54 -12.187 6.866 -0.076 1.00 52.12 C ATOM 884 CD LYS A 54 -13.250 6.137 0.798 1.00 63.15 C ATOM 885 CE LYS A 54 -13.246 6.562 2.287 1.00 32.24 C ATOM 886 NZ LYS A 54 -13.546 8.005 2.505 1.00 15.41 N ATOM 0 H LYS A 54 -11.309 7.221 -2.472 1.00 34.42 H new ATOM 0 HA LYS A 54 -12.058 9.925 -1.829 1.00 3.50 H new ATOM 0 HB2 LYS A 54 -12.875 8.876 0.305 1.00 23.30 H new ATOM 0 HB3 LYS A 54 -13.537 8.161 -1.152 1.00 23.30 H new ATOM 0 HG2 LYS A 54 -11.958 6.246 -0.943 1.00 52.12 H new ATOM 0 HG3 LYS A 54 -11.266 6.965 0.498 1.00 52.12 H new ATOM 0 HD2 LYS A 54 -14.239 6.326 0.380 1.00 63.15 H new ATOM 0 HD3 LYS A 54 -13.079 5.062 0.738 1.00 63.15 H new ATOM 0 HE2 LYS A 54 -13.979 5.963 2.827 1.00 32.24 H new ATOM 0 HE3 LYS A 54 -12.270 6.335 2.717 1.00 32.24 H new ATOM 0 HZ1 LYS A 54 -14.061 8.121 3.401 1.00 15.41 H new ATOM 0 HZ2 LYS A 54 -12.656 8.542 2.544 1.00 15.41 H new ATOM 0 HZ3 LYS A 54 -14.131 8.360 1.722 1.00 15.41 H new ATOM 900 N GLU A 55 -9.449 8.597 -0.240 1.00 72.30 N ATOM 901 CA GLU A 55 -8.220 8.911 0.518 1.00 25.10 C ATOM 902 C GLU A 55 -7.040 9.061 -0.467 1.00 71.04 C ATOM 903 O GLU A 55 -6.297 8.107 -0.718 1.00 33.00 O ATOM 904 CB GLU A 55 -7.923 7.808 1.584 1.00 45.32 C ATOM 905 CG GLU A 55 -9.117 7.420 2.486 1.00 75.33 C ATOM 906 CD GLU A 55 -9.726 8.608 3.253 1.00 74.54 C ATOM 907 OE1 GLU A 55 -9.091 9.092 4.215 1.00 52.42 O ATOM 908 OE2 GLU A 55 -10.837 9.062 2.900 1.00 15.50 O ATOM 0 H GLU A 55 -9.529 7.614 -0.500 1.00 72.30 H new ATOM 0 HA GLU A 55 -8.360 9.850 1.054 1.00 25.10 H new ATOM 0 HB2 GLU A 55 -7.573 6.914 1.069 1.00 45.32 H new ATOM 0 HB3 GLU A 55 -7.106 8.151 2.219 1.00 45.32 H new ATOM 0 HG2 GLU A 55 -9.891 6.961 1.871 1.00 75.33 H new ATOM 0 HG3 GLU A 55 -8.790 6.666 3.202 1.00 75.33 H new ATOM 915 N GLN A 56 -6.915 10.260 -1.062 1.00 12.24 N ATOM 916 CA GLN A 56 -5.884 10.550 -2.085 1.00 32.52 C ATOM 917 C GLN A 56 -4.465 10.590 -1.448 1.00 53.31 C ATOM 918 O GLN A 56 -4.092 11.571 -0.796 1.00 53.22 O ATOM 919 CB GLN A 56 -6.210 11.897 -2.803 1.00 63.30 C ATOM 920 CG GLN A 56 -5.230 12.275 -3.942 1.00 4.41 C ATOM 921 CD GLN A 56 -5.470 13.679 -4.510 1.00 40.15 C ATOM 922 OE1 GLN A 56 -4.901 14.657 -4.035 1.00 51.04 O ATOM 923 NE2 GLN A 56 -6.309 13.793 -5.523 1.00 74.21 N ATOM 0 H GLN A 56 -7.520 11.054 -0.852 1.00 12.24 H new ATOM 0 HA GLN A 56 -5.892 9.749 -2.825 1.00 32.52 H new ATOM 0 HB2 GLN A 56 -7.218 11.840 -3.213 1.00 63.30 H new ATOM 0 HB3 GLN A 56 -6.212 12.697 -2.063 1.00 63.30 H new ATOM 0 HG2 GLN A 56 -4.208 12.212 -3.568 1.00 4.41 H new ATOM 0 HG3 GLN A 56 -5.321 11.545 -4.746 1.00 4.41 H new ATOM 0 HE21 GLN A 56 -6.769 12.964 -5.900 1.00 74.21 H new ATOM 0 HE22 GLN A 56 -6.497 14.710 -5.929 1.00 74.21 H new ATOM 932 N PHE A 57 -3.698 9.496 -1.624 1.00 62.15 N ATOM 933 CA PHE A 57 -2.301 9.396 -1.128 1.00 43.33 C ATOM 934 C PHE A 57 -1.329 10.129 -2.091 1.00 41.41 C ATOM 935 O PHE A 57 -1.702 10.482 -3.220 1.00 43.15 O ATOM 936 CB PHE A 57 -1.881 7.906 -0.979 1.00 4.45 C ATOM 937 CG PHE A 57 -2.867 7.056 -0.176 1.00 31.14 C ATOM 938 CD1 PHE A 57 -2.961 7.191 1.207 1.00 74.22 C ATOM 939 CD2 PHE A 57 -3.701 6.128 -0.808 1.00 34.13 C ATOM 940 CE1 PHE A 57 -3.860 6.432 1.933 1.00 62.50 C ATOM 941 CE2 PHE A 57 -4.598 5.370 -0.081 1.00 63.52 C ATOM 942 CZ PHE A 57 -4.674 5.520 1.290 1.00 72.50 C ATOM 0 H PHE A 57 -4.022 8.660 -2.110 1.00 62.15 H new ATOM 0 HA PHE A 57 -2.251 9.873 -0.149 1.00 43.33 H new ATOM 0 HB2 PHE A 57 -1.768 7.471 -1.972 1.00 4.45 H new ATOM 0 HB3 PHE A 57 -0.904 7.862 -0.498 1.00 4.45 H new ATOM 0 HD1 PHE A 57 -2.324 7.897 1.719 1.00 74.22 H new ATOM 0 HD2 PHE A 57 -3.643 6.002 -1.879 1.00 34.13 H new ATOM 0 HE1 PHE A 57 -3.926 6.552 3.004 1.00 62.50 H new ATOM 0 HE2 PHE A 57 -5.239 4.661 -0.584 1.00 63.52 H new ATOM 0 HZ PHE A 57 -5.371 4.923 1.860 1.00 72.50 H new ATOM 952 N ASN A 58 -0.078 10.343 -1.640 1.00 1.32 N ATOM 953 CA ASN A 58 0.968 10.993 -2.468 1.00 42.43 C ATOM 954 C ASN A 58 1.499 10.036 -3.560 1.00 61.32 C ATOM 955 O ASN A 58 1.505 8.823 -3.373 1.00 12.52 O ATOM 956 CB ASN A 58 2.136 11.483 -1.575 1.00 44.42 C ATOM 957 CG ASN A 58 1.688 12.512 -0.542 1.00 42.51 C ATOM 958 OD1 ASN A 58 1.322 12.167 0.575 1.00 50.31 O ATOM 959 ND2 ASN A 58 1.713 13.781 -0.902 1.00 13.52 N ATOM 0 H ASN A 58 0.237 10.077 -0.707 1.00 1.32 H new ATOM 0 HA ASN A 58 0.514 11.851 -2.964 1.00 42.43 H new ATOM 0 HB2 ASN A 58 2.581 10.630 -1.064 1.00 44.42 H new ATOM 0 HB3 ASN A 58 2.912 11.918 -2.204 1.00 44.42 H new ATOM 0 HD21 ASN A 58 1.423 14.504 -0.243 1.00 13.52 H new ATOM 0 HD22 ASN A 58 2.023 14.039 -1.839 1.00 13.52 H new ATOM 966 N GLU A 59 1.958 10.619 -4.677 1.00 63.10 N ATOM 967 CA GLU A 59 2.514 9.877 -5.846 1.00 55.41 C ATOM 968 C GLU A 59 3.648 8.869 -5.464 1.00 63.31 C ATOM 969 O GLU A 59 3.699 7.753 -5.997 1.00 3.42 O ATOM 970 CB GLU A 59 2.979 10.881 -6.970 1.00 72.40 C ATOM 971 CG GLU A 59 3.487 12.283 -6.509 1.00 12.41 C ATOM 972 CD GLU A 59 4.675 12.266 -5.525 1.00 10.15 C ATOM 973 OE1 GLU A 59 5.836 12.168 -5.971 1.00 41.01 O ATOM 974 OE2 GLU A 59 4.448 12.335 -4.292 1.00 62.14 O ATOM 0 H GLU A 59 1.959 11.631 -4.808 1.00 63.10 H new ATOM 0 HA GLU A 59 1.704 9.264 -6.240 1.00 55.41 H new ATOM 0 HB2 GLU A 59 3.776 10.404 -7.540 1.00 72.40 H new ATOM 0 HB3 GLU A 59 2.144 11.032 -7.654 1.00 72.40 H new ATOM 0 HG2 GLU A 59 3.776 12.854 -7.391 1.00 12.41 H new ATOM 0 HG3 GLU A 59 2.658 12.815 -6.042 1.00 12.41 H new ATOM 981 N ALA A 60 4.523 9.265 -4.518 1.00 23.44 N ATOM 982 CA ALA A 60 5.640 8.417 -4.027 1.00 21.34 C ATOM 983 C ALA A 60 5.131 7.242 -3.157 1.00 33.32 C ATOM 984 O ALA A 60 5.660 6.124 -3.234 1.00 12.10 O ATOM 985 CB ALA A 60 6.648 9.280 -3.254 1.00 42.13 C ATOM 0 H ALA A 60 4.480 10.180 -4.070 1.00 23.44 H new ATOM 0 HA ALA A 60 6.139 7.978 -4.891 1.00 21.34 H new ATOM 0 HB1 ALA A 60 7.465 8.653 -2.896 1.00 42.13 H new ATOM 0 HB2 ALA A 60 7.045 10.053 -3.912 1.00 42.13 H new ATOM 0 HB3 ALA A 60 6.150 9.747 -2.404 1.00 42.13 H new ATOM 991 N GLN A 61 4.097 7.515 -2.329 1.00 10.14 N ATOM 992 CA GLN A 61 3.398 6.484 -1.526 1.00 44.33 C ATOM 993 C GLN A 61 2.726 5.426 -2.434 1.00 64.13 C ATOM 994 O GLN A 61 2.869 4.223 -2.208 1.00 32.01 O ATOM 995 CB GLN A 61 2.325 7.140 -0.611 1.00 23.32 C ATOM 996 CG GLN A 61 2.886 8.018 0.531 1.00 31.51 C ATOM 997 CD GLN A 61 1.801 8.569 1.469 1.00 30.43 C ATOM 998 OE1 GLN A 61 0.742 7.971 1.645 1.00 62.54 O ATOM 999 NE2 GLN A 61 2.063 9.701 2.099 1.00 44.11 N ATOM 0 H GLN A 61 3.724 8.455 -2.198 1.00 10.14 H new ATOM 0 HA GLN A 61 4.145 5.987 -0.907 1.00 44.33 H new ATOM 0 HB2 GLN A 61 1.667 7.751 -1.229 1.00 23.32 H new ATOM 0 HB3 GLN A 61 1.711 6.352 -0.175 1.00 23.32 H new ATOM 0 HG2 GLN A 61 3.596 7.432 1.114 1.00 31.51 H new ATOM 0 HG3 GLN A 61 3.440 8.852 0.099 1.00 31.51 H new ATOM 0 HE21 GLN A 61 2.949 10.181 1.938 1.00 44.11 H new ATOM 0 HE22 GLN A 61 1.380 10.095 2.746 1.00 44.11 H new ATOM 1008 N LEU A 62 2.013 5.908 -3.470 1.00 73.41 N ATOM 1009 CA LEU A 62 1.293 5.057 -4.444 1.00 42.30 C ATOM 1010 C LEU A 62 2.250 4.119 -5.215 1.00 2.45 C ATOM 1011 O LEU A 62 1.914 2.963 -5.476 1.00 34.55 O ATOM 1012 CB LEU A 62 0.495 5.946 -5.429 1.00 44.14 C ATOM 1013 CG LEU A 62 -0.659 6.786 -4.790 1.00 0.35 C ATOM 1014 CD1 LEU A 62 -1.319 7.731 -5.822 1.00 54.31 C ATOM 1015 CD2 LEU A 62 -1.710 5.870 -4.121 1.00 13.42 C ATOM 0 H LEU A 62 1.918 6.906 -3.658 1.00 73.41 H new ATOM 0 HA LEU A 62 0.603 4.423 -3.887 1.00 42.30 H new ATOM 0 HB2 LEU A 62 1.189 6.628 -5.920 1.00 44.14 H new ATOM 0 HB3 LEU A 62 0.071 5.309 -6.205 1.00 44.14 H new ATOM 0 HG LEU A 62 -0.215 7.411 -4.015 1.00 0.35 H new ATOM 0 HD11 LEU A 62 -2.116 8.297 -5.340 1.00 54.31 H new ATOM 0 HD12 LEU A 62 -0.571 8.420 -6.215 1.00 54.31 H new ATOM 0 HD13 LEU A 62 -1.736 7.143 -6.640 1.00 54.31 H new ATOM 0 HD21 LEU A 62 -2.500 6.481 -3.685 1.00 13.42 H new ATOM 0 HD22 LEU A 62 -2.138 5.202 -4.868 1.00 13.42 H new ATOM 0 HD23 LEU A 62 -1.233 5.281 -3.338 1.00 13.42 H new ATOM 1027 N ALA A 63 3.447 4.638 -5.552 1.00 14.44 N ATOM 1028 CA ALA A 63 4.524 3.857 -6.205 1.00 62.53 C ATOM 1029 C ALA A 63 4.959 2.638 -5.348 1.00 71.01 C ATOM 1030 O ALA A 63 5.116 1.524 -5.865 1.00 40.34 O ATOM 1031 CB ALA A 63 5.723 4.772 -6.489 1.00 35.01 C ATOM 0 H ALA A 63 3.698 5.612 -5.380 1.00 14.44 H new ATOM 0 HA ALA A 63 4.135 3.464 -7.144 1.00 62.53 H new ATOM 0 HB1 ALA A 63 6.514 4.196 -6.969 1.00 35.01 H new ATOM 0 HB2 ALA A 63 5.414 5.583 -7.148 1.00 35.01 H new ATOM 0 HB3 ALA A 63 6.094 5.187 -5.552 1.00 35.01 H new ATOM 1037 N LEU A 64 5.129 2.871 -4.033 1.00 43.43 N ATOM 1038 CA LEU A 64 5.460 1.805 -3.059 1.00 11.30 C ATOM 1039 C LEU A 64 4.319 0.768 -2.926 1.00 21.25 C ATOM 1040 O LEU A 64 4.584 -0.429 -2.866 1.00 12.33 O ATOM 1041 CB LEU A 64 5.754 2.420 -1.674 1.00 75.41 C ATOM 1042 CG LEU A 64 6.146 1.411 -0.549 1.00 60.50 C ATOM 1043 CD1 LEU A 64 7.489 0.703 -0.846 1.00 60.33 C ATOM 1044 CD2 LEU A 64 6.170 2.105 0.822 1.00 72.14 C ATOM 0 H LEU A 64 5.042 3.797 -3.614 1.00 43.43 H new ATOM 0 HA LEU A 64 6.345 1.290 -3.433 1.00 11.30 H new ATOM 0 HB2 LEU A 64 6.561 3.144 -1.783 1.00 75.41 H new ATOM 0 HB3 LEU A 64 4.872 2.972 -1.349 1.00 75.41 H new ATOM 0 HG LEU A 64 5.380 0.636 -0.524 1.00 60.50 H new ATOM 0 HD11 LEU A 64 7.722 0.011 -0.037 1.00 60.33 H new ATOM 0 HD12 LEU A 64 7.411 0.153 -1.784 1.00 60.33 H new ATOM 0 HD13 LEU A 64 8.282 1.446 -0.927 1.00 60.33 H new ATOM 0 HD21 LEU A 64 6.446 1.383 1.591 1.00 72.14 H new ATOM 0 HD22 LEU A 64 6.899 2.915 0.807 1.00 72.14 H new ATOM 0 HD23 LEU A 64 5.182 2.510 1.042 1.00 72.14 H new ATOM 1056 N ILE A 65 3.064 1.252 -2.868 1.00 1.34 N ATOM 1057 CA ILE A 65 1.855 0.393 -2.769 1.00 31.13 C ATOM 1058 C ILE A 65 1.759 -0.603 -3.964 1.00 14.25 C ATOM 1059 O ILE A 65 1.381 -1.771 -3.787 1.00 33.43 O ATOM 1060 CB ILE A 65 0.551 1.281 -2.682 1.00 74.45 C ATOM 1061 CG1 ILE A 65 0.549 2.125 -1.359 1.00 60.21 C ATOM 1062 CG2 ILE A 65 -0.740 0.429 -2.799 1.00 35.32 C ATOM 1063 CD1 ILE A 65 -0.584 3.140 -1.234 1.00 12.32 C ATOM 0 H ILE A 65 2.853 2.250 -2.888 1.00 1.34 H new ATOM 0 HA ILE A 65 1.941 -0.195 -1.855 1.00 31.13 H new ATOM 0 HB ILE A 65 0.561 1.964 -3.531 1.00 74.45 H new ATOM 0 HG12 ILE A 65 0.497 1.441 -0.512 1.00 60.21 H new ATOM 0 HG13 ILE A 65 1.499 2.654 -1.284 1.00 60.21 H new ATOM 0 HG21 ILE A 65 -1.612 1.079 -2.734 1.00 35.32 H new ATOM 0 HG22 ILE A 65 -0.746 -0.092 -3.756 1.00 35.32 H new ATOM 0 HG23 ILE A 65 -0.770 -0.300 -1.989 1.00 35.32 H new ATOM 0 HD11 ILE A 65 -0.495 3.670 -0.286 1.00 12.32 H new ATOM 0 HD12 ILE A 65 -0.525 3.854 -2.056 1.00 12.32 H new ATOM 0 HD13 ILE A 65 -1.542 2.622 -1.271 1.00 12.32 H new ATOM 1075 N ARG A 66 2.114 -0.118 -5.173 1.00 51.22 N ATOM 1076 CA ARG A 66 2.193 -0.949 -6.401 1.00 73.33 C ATOM 1077 C ARG A 66 3.262 -2.066 -6.269 1.00 61.52 C ATOM 1078 O ARG A 66 3.065 -3.182 -6.767 1.00 1.21 O ATOM 1079 CB ARG A 66 2.490 -0.048 -7.634 1.00 74.33 C ATOM 1080 CG ARG A 66 1.382 0.992 -7.933 1.00 10.45 C ATOM 1081 CD ARG A 66 1.782 2.013 -9.017 1.00 35.42 C ATOM 1082 NE ARG A 66 0.737 3.030 -9.208 1.00 34.24 N ATOM 1083 CZ ARG A 66 0.887 4.183 -9.816 1.00 4.20 C ATOM 1084 NH1 ARG A 66 2.031 4.548 -10.308 1.00 41.50 N ATOM 1085 NH2 ARG A 66 -0.124 4.976 -9.934 1.00 14.41 N ATOM 0 H ARG A 66 2.355 0.861 -5.329 1.00 51.22 H new ATOM 0 HA ARG A 66 1.229 -1.438 -6.540 1.00 73.33 H new ATOM 0 HB2 ARG A 66 3.432 0.476 -7.470 1.00 74.33 H new ATOM 0 HB3 ARG A 66 2.626 -0.682 -8.510 1.00 74.33 H new ATOM 0 HG2 ARG A 66 0.479 0.470 -8.250 1.00 10.45 H new ATOM 0 HG3 ARG A 66 1.136 1.525 -7.015 1.00 10.45 H new ATOM 0 HD2 ARG A 66 2.717 2.498 -8.735 1.00 35.42 H new ATOM 0 HD3 ARG A 66 1.963 1.494 -9.958 1.00 35.42 H new ATOM 0 HE ARG A 66 -0.188 2.820 -8.834 1.00 34.24 H new ATOM 0 HH11 ARG A 66 2.841 3.933 -10.227 1.00 41.50 H new ATOM 0 HH12 ARG A 66 2.120 5.450 -10.776 1.00 41.50 H new ATOM 0 HH21 ARG A 66 -1.032 4.705 -9.556 1.00 14.41 H new ATOM 0 HH22 ARG A 66 -0.015 5.874 -10.405 1.00 14.41 H new ATOM 1099 N ASP A 67 4.378 -1.759 -5.574 1.00 73.24 N ATOM 1100 CA ASP A 67 5.455 -2.748 -5.326 1.00 41.41 C ATOM 1101 C ASP A 67 5.036 -3.772 -4.237 1.00 11.11 C ATOM 1102 O ASP A 67 5.356 -4.954 -4.329 1.00 62.13 O ATOM 1103 CB ASP A 67 6.782 -2.050 -4.935 1.00 73.23 C ATOM 1104 CG ASP A 67 8.010 -2.950 -5.176 1.00 55.54 C ATOM 1105 OD1 ASP A 67 8.550 -2.933 -6.304 1.00 53.14 O ATOM 1106 OD2 ASP A 67 8.410 -3.708 -4.266 1.00 51.43 O ATOM 0 H ASP A 67 4.559 -0.838 -5.175 1.00 73.24 H new ATOM 0 HA ASP A 67 5.620 -3.290 -6.257 1.00 41.41 H new ATOM 0 HB2 ASP A 67 6.890 -1.131 -5.511 1.00 73.23 H new ATOM 0 HB3 ASP A 67 6.744 -1.765 -3.884 1.00 73.23 H new ATOM 1111 N ILE A 68 4.313 -3.298 -3.217 1.00 21.54 N ATOM 1112 CA ILE A 68 3.739 -4.156 -2.154 1.00 21.22 C ATOM 1113 C ILE A 68 2.675 -5.131 -2.734 1.00 24.34 C ATOM 1114 O ILE A 68 2.544 -6.266 -2.274 1.00 24.24 O ATOM 1115 CB ILE A 68 3.134 -3.253 -1.000 1.00 34.33 C ATOM 1116 CG1 ILE A 68 4.295 -2.529 -0.225 1.00 33.30 C ATOM 1117 CG2 ILE A 68 2.216 -4.043 -0.032 1.00 40.32 C ATOM 1118 CD1 ILE A 68 3.862 -1.656 0.952 1.00 74.31 C ATOM 0 H ILE A 68 4.104 -2.307 -3.097 1.00 21.54 H new ATOM 0 HA ILE A 68 4.535 -4.768 -1.729 1.00 21.22 H new ATOM 0 HB ILE A 68 2.496 -2.505 -1.471 1.00 34.33 H new ATOM 0 HG12 ILE A 68 4.988 -3.285 0.143 1.00 33.30 H new ATOM 0 HG13 ILE A 68 4.846 -1.908 -0.931 1.00 33.30 H new ATOM 0 HG21 ILE A 68 1.833 -3.371 0.736 1.00 40.32 H new ATOM 0 HG22 ILE A 68 1.382 -4.471 -0.589 1.00 40.32 H new ATOM 0 HG23 ILE A 68 2.787 -4.843 0.439 1.00 40.32 H new ATOM 0 HD11 ILE A 68 4.741 -1.206 1.414 1.00 74.31 H new ATOM 0 HD12 ILE A 68 3.196 -0.870 0.596 1.00 74.31 H new ATOM 0 HD13 ILE A 68 3.340 -2.269 1.687 1.00 74.31 H new ATOM 1130 N ARG A 69 1.936 -4.668 -3.756 1.00 21.24 N ATOM 1131 CA ARG A 69 0.899 -5.468 -4.442 1.00 74.14 C ATOM 1132 C ARG A 69 1.502 -6.563 -5.379 1.00 31.42 C ATOM 1133 O ARG A 69 1.034 -7.711 -5.369 1.00 4.34 O ATOM 1134 CB ARG A 69 -0.067 -4.526 -5.202 1.00 41.01 C ATOM 1135 CG ARG A 69 -1.291 -5.230 -5.836 1.00 41.01 C ATOM 1136 CD ARG A 69 -2.390 -4.237 -6.275 1.00 50.41 C ATOM 1137 NE ARG A 69 -2.936 -3.459 -5.139 1.00 62.23 N ATOM 1138 CZ ARG A 69 -3.814 -3.904 -4.256 1.00 73.15 C ATOM 1139 NH1 ARG A 69 -4.295 -5.103 -4.324 1.00 23.21 N ATOM 1140 NH2 ARG A 69 -4.209 -3.135 -3.293 1.00 54.32 N ATOM 0 H ARG A 69 2.039 -3.726 -4.133 1.00 21.24 H new ATOM 0 HA ARG A 69 0.337 -6.012 -3.683 1.00 74.14 H new ATOM 0 HB2 ARG A 69 -0.422 -3.760 -4.513 1.00 41.01 H new ATOM 0 HB3 ARG A 69 0.489 -4.015 -5.988 1.00 41.01 H new ATOM 0 HG2 ARG A 69 -0.965 -5.809 -6.700 1.00 41.01 H new ATOM 0 HG3 ARG A 69 -1.710 -5.936 -5.119 1.00 41.01 H new ATOM 0 HD2 ARG A 69 -1.981 -3.552 -7.018 1.00 50.41 H new ATOM 0 HD3 ARG A 69 -3.199 -4.785 -6.758 1.00 50.41 H new ATOM 0 HE ARG A 69 -2.607 -2.500 -5.029 1.00 62.23 H new ATOM 0 HH11 ARG A 69 -3.998 -5.730 -5.072 1.00 23.21 H new ATOM 0 HH12 ARG A 69 -4.971 -5.421 -3.630 1.00 23.21 H new ATOM 0 HH21 ARG A 69 -3.843 -2.186 -3.215 1.00 54.32 H new ATOM 0 HH22 ARG A 69 -4.886 -3.478 -2.612 1.00 54.32 H new ATOM 1154 N ARG A 70 2.543 -6.210 -6.180 1.00 41.54 N ATOM 1155 CA ARG A 70 3.233 -7.187 -7.085 1.00 51.52 C ATOM 1156 C ARG A 70 4.019 -8.259 -6.278 1.00 54.14 C ATOM 1157 O ARG A 70 4.102 -9.419 -6.689 1.00 41.31 O ATOM 1158 CB ARG A 70 4.193 -6.469 -8.093 1.00 53.22 C ATOM 1159 CG ARG A 70 5.315 -5.649 -7.426 1.00 34.43 C ATOM 1160 CD ARG A 70 6.371 -5.080 -8.401 1.00 52.11 C ATOM 1161 NE ARG A 70 7.314 -6.115 -8.879 1.00 54.12 N ATOM 1162 CZ ARG A 70 8.621 -6.126 -8.662 1.00 5.45 C ATOM 1163 NH1 ARG A 70 9.200 -5.207 -7.950 1.00 23.31 N ATOM 1164 NH2 ARG A 70 9.344 -7.084 -9.145 1.00 53.05 N ATOM 0 H ARG A 70 2.925 -5.265 -6.222 1.00 41.54 H new ATOM 0 HA ARG A 70 2.450 -7.687 -7.655 1.00 51.52 H new ATOM 0 HB2 ARG A 70 4.644 -7.218 -8.743 1.00 53.22 H new ATOM 0 HB3 ARG A 70 3.604 -5.808 -8.729 1.00 53.22 H new ATOM 0 HG2 ARG A 70 4.864 -4.822 -6.878 1.00 34.43 H new ATOM 0 HG3 ARG A 70 5.820 -6.279 -6.694 1.00 34.43 H new ATOM 0 HD2 ARG A 70 5.867 -4.629 -9.256 1.00 52.11 H new ATOM 0 HD3 ARG A 70 6.929 -4.286 -7.905 1.00 52.11 H new ATOM 0 HE ARG A 70 6.925 -6.886 -9.422 1.00 54.12 H new ATOM 0 HH11 ARG A 70 8.647 -4.453 -7.543 1.00 23.31 H new ATOM 0 HH12 ARG A 70 10.208 -5.239 -7.798 1.00 23.31 H new ATOM 0 HH21 ARG A 70 8.907 -7.827 -9.691 1.00 53.05 H new ATOM 0 HH22 ARG A 70 10.351 -7.096 -8.980 1.00 53.05 H new ATOM 1178 N ARG A 71 4.599 -7.848 -5.130 1.00 3.04 N ATOM 1179 CA ARG A 71 5.323 -8.768 -4.215 1.00 61.34 C ATOM 1180 C ARG A 71 4.368 -9.360 -3.146 1.00 53.22 C ATOM 1181 O ARG A 71 4.782 -10.193 -2.335 1.00 41.05 O ATOM 1182 CB ARG A 71 6.525 -8.041 -3.543 1.00 61.30 C ATOM 1183 CG ARG A 71 7.505 -7.359 -4.534 1.00 61.20 C ATOM 1184 CD ARG A 71 8.038 -8.311 -5.626 1.00 72.04 C ATOM 1185 NE ARG A 71 8.781 -9.455 -5.066 1.00 54.34 N ATOM 1186 CZ ARG A 71 9.180 -10.512 -5.743 1.00 54.42 C ATOM 1187 NH1 ARG A 71 8.859 -10.682 -6.984 1.00 61.12 N ATOM 1188 NH2 ARG A 71 9.889 -11.414 -5.154 1.00 0.33 N ATOM 0 H ARG A 71 4.582 -6.880 -4.810 1.00 3.04 H new ATOM 0 HA ARG A 71 5.712 -9.595 -4.808 1.00 61.34 H new ATOM 0 HB2 ARG A 71 6.139 -7.287 -2.858 1.00 61.30 H new ATOM 0 HB3 ARG A 71 7.080 -8.763 -2.943 1.00 61.30 H new ATOM 0 HG2 ARG A 71 7.001 -6.518 -5.011 1.00 61.20 H new ATOM 0 HG3 ARG A 71 8.348 -6.951 -3.976 1.00 61.20 H new ATOM 0 HD2 ARG A 71 7.202 -8.681 -6.220 1.00 72.04 H new ATOM 0 HD3 ARG A 71 8.688 -7.755 -6.302 1.00 72.04 H new ATOM 0 HE ARG A 71 9.005 -9.425 -4.071 1.00 54.34 H new ATOM 0 HH11 ARG A 71 8.284 -9.988 -7.462 1.00 61.12 H new ATOM 0 HH12 ARG A 71 9.181 -11.510 -7.485 1.00 61.12 H new ATOM 0 HH21 ARG A 71 10.137 -11.306 -4.171 1.00 0.33 H new ATOM 0 HH22 ARG A 71 10.202 -12.235 -5.672 1.00 0.33 H new