USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=7 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= -0.74 K(o=-1.4,f=0.087) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.612 K(o=-1.4,f=-2!) USER MOD Set 2.1: A 52 MET CE :methyl -144:sc= -0.0961 (180deg=-2.23!) USER MOD Set 2.2: A 56 GLN : amide:sc= 0 X(o=-0.096,f=-0.28) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.169 USER MOD Single : A 29 LYS NZ :NH3+ 155:sc= -1.61! (180deg=-3.13!) USER MOD Single : A 32 HIS : no HD1:sc=-0.00298 X(o=-0.003,f=-0.3) USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= -0.0066 (180deg=-0.121) USER MOD Single : A 42 ASN : amide:sc= -0.107 X(o=-0.11,f=0) USER MOD Single : A 49 ASN : amide:sc= 1.01 K(o=1,f=-7.7!) USER MOD Single : A 51 MET CE :methyl -171:sc= -0.0155 (180deg=-0.171) USER MOD Single : A 53 SER OG : rot 64:sc= 1.12 USER MOD Single : A 54 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00376) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 6.057 -7.314 12.207 1.00 13.43 N ATOM 330 CA LEU A 21 6.787 -6.263 11.455 1.00 54.21 C ATOM 331 C LEU A 21 7.761 -6.892 10.418 1.00 61.34 C ATOM 332 O LEU A 21 8.879 -7.299 10.757 1.00 64.10 O ATOM 333 CB LEU A 21 7.547 -5.307 12.424 1.00 52.20 C ATOM 334 CG LEU A 21 6.672 -4.579 13.502 1.00 52.42 C ATOM 335 CD1 LEU A 21 7.532 -3.671 14.422 1.00 70.44 C ATOM 336 CD2 LEU A 21 5.517 -3.775 12.854 1.00 73.20 C ATOM 0 HA LEU A 21 6.051 -5.672 10.909 1.00 54.21 H new ATOM 0 HB2 LEU A 21 8.317 -5.881 12.938 1.00 52.20 H new ATOM 0 HB3 LEU A 21 8.058 -4.550 11.829 1.00 52.20 H new ATOM 0 HG LEU A 21 6.227 -5.355 14.125 1.00 52.42 H new ATOM 0 HD11 LEU A 21 6.890 -3.184 15.156 1.00 70.44 H new ATOM 0 HD12 LEU A 21 8.277 -4.277 14.938 1.00 70.44 H new ATOM 0 HD13 LEU A 21 8.034 -2.914 13.820 1.00 70.44 H new ATOM 0 HD21 LEU A 21 4.933 -3.285 13.633 1.00 73.20 H new ATOM 0 HD22 LEU A 21 5.930 -3.023 12.182 1.00 73.20 H new ATOM 0 HD23 LEU A 21 4.874 -4.451 12.290 1.00 73.20 H new ATOM 348 N THR A 22 7.295 -6.990 9.159 1.00 1.14 N ATOM 349 CA THR A 22 8.058 -7.592 8.033 1.00 13.24 C ATOM 350 C THR A 22 9.174 -6.652 7.497 1.00 31.51 C ATOM 351 O THR A 22 9.345 -5.525 7.976 1.00 21.51 O ATOM 352 CB THR A 22 7.093 -7.959 6.847 1.00 22.41 C ATOM 353 OG1 THR A 22 6.529 -6.759 6.279 1.00 40.34 O ATOM 354 CG2 THR A 22 5.951 -8.891 7.299 1.00 33.34 C ATOM 0 H THR A 22 6.372 -6.653 8.885 1.00 1.14 H new ATOM 0 HA THR A 22 8.531 -8.491 8.429 1.00 13.24 H new ATOM 0 HB THR A 22 7.686 -8.486 6.099 1.00 22.41 H new ATOM 0 HG1 THR A 22 5.931 -6.997 5.540 1.00 40.34 H new ATOM 0 HG21 THR A 22 5.309 -9.119 6.448 1.00 33.34 H new ATOM 0 HG22 THR A 22 6.371 -9.816 7.694 1.00 33.34 H new ATOM 0 HG23 THR A 22 5.365 -8.398 8.075 1.00 33.34 H new ATOM 362 N ARG A 23 9.931 -7.145 6.491 1.00 34.33 N ATOM 363 CA ARG A 23 10.886 -6.316 5.706 1.00 61.24 C ATOM 364 C ARG A 23 10.153 -5.137 5.017 1.00 34.21 C ATOM 365 O ARG A 23 10.655 -4.009 4.962 1.00 45.43 O ATOM 366 CB ARG A 23 11.597 -7.196 4.634 1.00 42.13 C ATOM 367 CG ARG A 23 12.628 -6.456 3.741 1.00 45.42 C ATOM 368 CD ARG A 23 13.830 -5.900 4.530 1.00 60.24 C ATOM 369 NE ARG A 23 14.749 -5.143 3.665 1.00 5.55 N ATOM 370 CZ ARG A 23 15.981 -4.799 3.983 1.00 11.40 C ATOM 371 NH1 ARG A 23 16.521 -5.165 5.106 1.00 71.11 N ATOM 372 NH2 ARG A 23 16.673 -4.097 3.154 1.00 54.34 N ATOM 0 H ARG A 23 9.901 -8.122 6.198 1.00 34.33 H new ATOM 0 HA ARG A 23 11.630 -5.908 6.390 1.00 61.24 H new ATOM 0 HB2 ARG A 23 12.104 -8.017 5.141 1.00 42.13 H new ATOM 0 HB3 ARG A 23 10.837 -7.640 3.991 1.00 42.13 H new ATOM 0 HG2 ARG A 23 12.991 -7.140 2.974 1.00 45.42 H new ATOM 0 HG3 ARG A 23 12.129 -5.635 3.226 1.00 45.42 H new ATOM 0 HD2 ARG A 23 13.471 -5.255 5.332 1.00 60.24 H new ATOM 0 HD3 ARG A 23 14.368 -6.723 5.000 1.00 60.24 H new ATOM 0 HE ARG A 23 14.405 -4.862 2.747 1.00 5.55 H new ATOM 0 HH11 ARG A 23 15.990 -5.732 5.766 1.00 71.11 H new ATOM 0 HH12 ARG A 23 17.476 -4.885 5.328 1.00 71.11 H new ATOM 0 HH21 ARG A 23 16.267 -3.813 2.263 1.00 54.34 H new ATOM 0 HH22 ARG A 23 17.627 -3.825 3.389 1.00 54.34 H new ATOM 386 N ASP A 24 8.949 -5.430 4.503 1.00 51.14 N ATOM 387 CA ASP A 24 8.082 -4.436 3.856 1.00 11.03 C ATOM 388 C ASP A 24 7.507 -3.412 4.865 1.00 74.34 C ATOM 389 O ASP A 24 7.241 -2.276 4.490 1.00 24.35 O ATOM 390 CB ASP A 24 6.958 -5.139 3.066 1.00 21.00 C ATOM 391 CG ASP A 24 7.514 -5.980 1.912 1.00 62.31 C ATOM 392 OD1 ASP A 24 7.666 -5.438 0.789 1.00 21.23 O ATOM 393 OD2 ASP A 24 7.851 -7.168 2.131 1.00 2.41 O ATOM 0 H ASP A 24 8.548 -6.368 4.525 1.00 51.14 H new ATOM 0 HA ASP A 24 8.696 -3.869 3.157 1.00 11.03 H new ATOM 0 HB2 ASP A 24 6.386 -5.778 3.739 1.00 21.00 H new ATOM 0 HB3 ASP A 24 6.269 -4.392 2.672 1.00 21.00 H new ATOM 398 N GLU A 25 7.303 -3.823 6.136 1.00 24.21 N ATOM 399 CA GLU A 25 6.875 -2.899 7.228 1.00 53.42 C ATOM 400 C GLU A 25 7.926 -1.795 7.500 1.00 42.10 C ATOM 401 O GLU A 25 7.578 -0.707 7.965 1.00 61.12 O ATOM 402 CB GLU A 25 6.536 -3.690 8.534 1.00 20.11 C ATOM 403 CG GLU A 25 5.067 -4.169 8.648 1.00 62.31 C ATOM 404 CD GLU A 25 4.073 -3.005 8.875 1.00 45.44 C ATOM 405 OE1 GLU A 25 3.969 -2.520 10.022 1.00 1.33 O ATOM 406 OE2 GLU A 25 3.427 -2.544 7.910 1.00 50.04 O ATOM 0 H GLU A 25 7.426 -4.789 6.439 1.00 24.21 H new ATOM 0 HA GLU A 25 5.967 -2.400 6.889 1.00 53.42 H new ATOM 0 HB2 GLU A 25 7.191 -4.559 8.595 1.00 20.11 H new ATOM 0 HB3 GLU A 25 6.764 -3.058 9.393 1.00 20.11 H new ATOM 0 HG2 GLU A 25 4.792 -4.703 7.739 1.00 62.31 H new ATOM 0 HG3 GLU A 25 4.984 -4.878 9.472 1.00 62.31 H new ATOM 413 N LEU A 26 9.206 -2.087 7.202 1.00 1.40 N ATOM 414 CA LEU A 26 10.304 -1.099 7.317 1.00 43.53 C ATOM 415 C LEU A 26 10.175 0.013 6.234 1.00 20.45 C ATOM 416 O LEU A 26 10.177 1.206 6.554 1.00 20.50 O ATOM 417 CB LEU A 26 11.672 -1.821 7.184 1.00 61.32 C ATOM 418 CG LEU A 26 11.934 -2.979 8.201 1.00 45.42 C ATOM 419 CD1 LEU A 26 13.269 -3.704 7.909 1.00 34.32 C ATOM 420 CD2 LEU A 26 11.877 -2.473 9.665 1.00 1.25 C ATOM 0 H LEU A 26 9.510 -3.005 6.877 1.00 1.40 H new ATOM 0 HA LEU A 26 10.239 -0.623 8.295 1.00 43.53 H new ATOM 0 HB2 LEU A 26 11.751 -2.225 6.175 1.00 61.32 H new ATOM 0 HB3 LEU A 26 12.464 -1.080 7.294 1.00 61.32 H new ATOM 0 HG LEU A 26 11.133 -3.707 8.073 1.00 45.42 H new ATOM 0 HD11 LEU A 26 13.416 -4.502 8.637 1.00 34.32 H new ATOM 0 HD12 LEU A 26 13.241 -4.128 6.905 1.00 34.32 H new ATOM 0 HD13 LEU A 26 14.092 -2.993 7.979 1.00 34.32 H new ATOM 0 HD21 LEU A 26 12.064 -3.304 10.345 1.00 1.25 H new ATOM 0 HD22 LEU A 26 12.636 -1.705 9.814 1.00 1.25 H new ATOM 0 HD23 LEU A 26 10.891 -2.053 9.867 1.00 1.25 H new ATOM 432 N ARG A 27 10.026 -0.410 4.957 1.00 11.14 N ATOM 433 CA ARG A 27 9.944 0.511 3.785 1.00 75.01 C ATOM 434 C ARG A 27 8.574 1.252 3.715 1.00 64.22 C ATOM 435 O ARG A 27 8.504 2.392 3.246 1.00 32.11 O ATOM 436 CB ARG A 27 10.239 -0.278 2.465 1.00 13.41 C ATOM 437 CG ARG A 27 9.245 -1.425 2.164 1.00 0.13 C ATOM 438 CD ARG A 27 9.729 -2.423 1.084 1.00 5.25 C ATOM 439 NE ARG A 27 9.770 -1.843 -0.269 1.00 50.03 N ATOM 440 CZ ARG A 27 9.154 -2.326 -1.335 1.00 34.53 C ATOM 441 NH1 ARG A 27 8.372 -3.365 -1.272 1.00 44.13 N ATOM 442 NH2 ARG A 27 9.313 -1.742 -2.475 1.00 35.44 N ATOM 0 H ARG A 27 9.959 -1.396 4.704 1.00 11.14 H new ATOM 0 HA ARG A 27 10.704 1.283 3.908 1.00 75.01 H new ATOM 0 HB2 ARG A 27 10.230 0.422 1.629 1.00 13.41 H new ATOM 0 HB3 ARG A 27 11.245 -0.693 2.522 1.00 13.41 H new ATOM 0 HG2 ARG A 27 9.051 -1.972 3.086 1.00 0.13 H new ATOM 0 HG3 ARG A 27 8.297 -0.993 1.844 1.00 0.13 H new ATOM 0 HD2 ARG A 27 10.724 -2.780 1.349 1.00 5.25 H new ATOM 0 HD3 ARG A 27 9.070 -3.291 1.080 1.00 5.25 H new ATOM 0 HE ARG A 27 10.322 -0.994 -0.395 1.00 50.03 H new ATOM 0 HH11 ARG A 27 8.218 -3.834 -0.379 1.00 44.13 H new ATOM 0 HH12 ARG A 27 7.913 -3.710 -2.115 1.00 44.13 H new ATOM 0 HH21 ARG A 27 9.909 -0.917 -2.547 1.00 35.44 H new ATOM 0 HH22 ARG A 27 8.843 -2.105 -3.304 1.00 35.44 H new ATOM 456 N ALA A 28 7.501 0.595 4.203 1.00 71.04 N ATOM 457 CA ALA A 28 6.138 1.169 4.243 1.00 1.31 C ATOM 458 C ALA A 28 6.047 2.301 5.274 1.00 65.51 C ATOM 459 O ALA A 28 5.576 3.397 4.974 1.00 31.22 O ATOM 460 CB ALA A 28 5.103 0.078 4.545 1.00 42.31 C ATOM 0 H ALA A 28 7.555 -0.351 4.581 1.00 71.04 H new ATOM 0 HA ALA A 28 5.920 1.590 3.262 1.00 1.31 H new ATOM 0 HB1 ALA A 28 4.106 0.519 4.570 1.00 42.31 H new ATOM 0 HB2 ALA A 28 5.142 -0.686 3.768 1.00 42.31 H new ATOM 0 HB3 ALA A 28 5.324 -0.376 5.511 1.00 42.31 H new ATOM 466 N LYS A 29 6.541 2.015 6.481 1.00 70.24 N ATOM 467 CA LYS A 29 6.576 2.974 7.606 1.00 53.30 C ATOM 468 C LYS A 29 7.578 4.132 7.330 1.00 14.54 C ATOM 469 O LYS A 29 7.437 5.228 7.883 1.00 12.51 O ATOM 470 CB LYS A 29 6.927 2.190 8.903 1.00 4.25 C ATOM 471 CG LYS A 29 6.556 2.879 10.237 1.00 3.14 C ATOM 472 CD LYS A 29 6.658 1.923 11.467 1.00 42.41 C ATOM 473 CE LYS A 29 5.547 0.832 11.532 1.00 32.33 C ATOM 474 NZ LYS A 29 5.622 -0.178 10.433 1.00 24.21 N ATOM 0 H LYS A 29 6.934 1.103 6.715 1.00 70.24 H new ATOM 0 HA LYS A 29 5.600 3.445 7.726 1.00 53.30 H new ATOM 0 HB2 LYS A 29 6.425 1.223 8.865 1.00 4.25 H new ATOM 0 HB3 LYS A 29 7.999 1.993 8.905 1.00 4.25 H new ATOM 0 HG2 LYS A 29 7.214 3.734 10.393 1.00 3.14 H new ATOM 0 HG3 LYS A 29 5.540 3.267 10.169 1.00 3.14 H new ATOM 0 HD2 LYS A 29 7.631 1.432 11.450 1.00 42.41 H new ATOM 0 HD3 LYS A 29 6.618 2.519 12.379 1.00 42.41 H new ATOM 0 HE2 LYS A 29 5.614 0.317 12.490 1.00 32.33 H new ATOM 0 HE3 LYS A 29 4.572 1.318 11.499 1.00 32.33 H new ATOM 0 HZ1 LYS A 29 5.173 -1.063 10.744 1.00 24.21 H new ATOM 0 HZ2 LYS A 29 5.128 0.185 9.593 1.00 24.21 H new ATOM 0 HZ3 LYS A 29 6.618 -0.360 10.196 1.00 24.21 H new ATOM 488 N ALA A 30 8.577 3.868 6.454 1.00 32.30 N ATOM 489 CA ALA A 30 9.554 4.887 5.994 1.00 71.23 C ATOM 490 C ALA A 30 8.894 5.939 5.064 1.00 12.40 C ATOM 491 O ALA A 30 9.131 7.141 5.216 1.00 50.51 O ATOM 492 CB ALA A 30 10.732 4.204 5.281 1.00 51.42 C ATOM 0 H ALA A 30 8.729 2.945 6.047 1.00 32.30 H new ATOM 0 HA ALA A 30 9.924 5.415 6.873 1.00 71.23 H new ATOM 0 HB1 ALA A 30 11.443 4.960 4.947 1.00 51.42 H new ATOM 0 HB2 ALA A 30 11.227 3.519 5.970 1.00 51.42 H new ATOM 0 HB3 ALA A 30 10.363 3.648 4.419 1.00 51.42 H new ATOM 498 N LEU A 31 8.059 5.473 4.105 1.00 11.44 N ATOM 499 CA LEU A 31 7.242 6.367 3.224 1.00 11.21 C ATOM 500 C LEU A 31 5.916 6.804 3.909 1.00 73.22 C ATOM 501 O LEU A 31 5.166 7.615 3.354 1.00 63.41 O ATOM 502 CB LEU A 31 6.971 5.670 1.852 1.00 65.11 C ATOM 503 CG LEU A 31 8.199 5.600 0.875 1.00 4.31 C ATOM 504 CD1 LEU A 31 7.872 4.794 -0.400 1.00 50.34 C ATOM 505 CD2 LEU A 31 8.690 7.017 0.498 1.00 32.03 C ATOM 0 H LEU A 31 7.927 4.480 3.915 1.00 11.44 H new ATOM 0 HA LEU A 31 7.815 7.276 3.044 1.00 11.21 H new ATOM 0 HB2 LEU A 31 6.622 4.655 2.042 1.00 65.11 H new ATOM 0 HB3 LEU A 31 6.159 6.197 1.350 1.00 65.11 H new ATOM 0 HG LEU A 31 8.998 5.081 1.404 1.00 4.31 H new ATOM 0 HD11 LEU A 31 8.747 4.769 -1.049 1.00 50.34 H new ATOM 0 HD12 LEU A 31 7.595 3.776 -0.126 1.00 50.34 H new ATOM 0 HD13 LEU A 31 7.043 5.267 -0.927 1.00 50.34 H new ATOM 0 HD21 LEU A 31 9.541 6.939 -0.179 1.00 32.03 H new ATOM 0 HD22 LEU A 31 7.884 7.563 0.007 1.00 32.03 H new ATOM 0 HD23 LEU A 31 8.992 7.549 1.400 1.00 32.03 H new ATOM 517 N HIS A 32 5.663 6.255 5.117 1.00 35.23 N ATOM 518 CA HIS A 32 4.526 6.613 5.996 1.00 72.04 C ATOM 519 C HIS A 32 3.154 6.197 5.392 1.00 23.44 C ATOM 520 O HIS A 32 2.279 7.037 5.143 1.00 23.11 O ATOM 521 CB HIS A 32 4.564 8.121 6.402 1.00 52.04 C ATOM 522 CG HIS A 32 3.641 8.479 7.543 1.00 50.15 C ATOM 523 ND1 HIS A 32 2.359 8.954 7.362 1.00 54.22 N ATOM 524 CD2 HIS A 32 3.816 8.405 8.887 1.00 50.12 C ATOM 525 CE1 HIS A 32 1.797 9.162 8.532 1.00 1.33 C ATOM 526 NE2 HIS A 32 2.656 8.835 9.469 1.00 35.43 N ATOM 0 H HIS A 32 6.259 5.532 5.519 1.00 35.23 H new ATOM 0 HA HIS A 32 4.640 6.034 6.912 1.00 72.04 H new ATOM 0 HB2 HIS A 32 5.585 8.386 6.679 1.00 52.04 H new ATOM 0 HB3 HIS A 32 4.302 8.726 5.534 1.00 52.04 H new ATOM 0 HD2 HIS A 32 4.705 8.069 9.400 1.00 50.12 H new ATOM 0 HE1 HIS A 32 0.798 9.538 8.695 1.00 1.33 H new ATOM 0 HE2 HIS A 32 2.485 8.893 10.473 1.00 35.43 H new ATOM 535 N ILE A 33 3.004 4.890 5.130 1.00 45.22 N ATOM 536 CA ILE A 33 1.712 4.281 4.751 1.00 45.52 C ATOM 537 C ILE A 33 0.751 4.280 5.986 1.00 5.40 C ATOM 538 O ILE A 33 1.123 3.763 7.044 1.00 12.23 O ATOM 539 CB ILE A 33 1.912 2.804 4.221 1.00 11.23 C ATOM 540 CG1 ILE A 33 2.852 2.767 2.971 1.00 62.02 C ATOM 541 CG2 ILE A 33 0.558 2.116 3.903 1.00 42.43 C ATOM 542 CD1 ILE A 33 2.295 3.438 1.724 1.00 63.10 C ATOM 0 H ILE A 33 3.773 4.222 5.174 1.00 45.22 H new ATOM 0 HA ILE A 33 1.274 4.872 3.947 1.00 45.52 H new ATOM 0 HB ILE A 33 2.390 2.244 5.024 1.00 11.23 H new ATOM 0 HG12 ILE A 33 3.796 3.246 3.231 1.00 62.02 H new ATOM 0 HG13 ILE A 33 3.077 1.727 2.735 1.00 62.02 H new ATOM 0 HG21 ILE A 33 0.740 1.104 3.542 1.00 42.43 H new ATOM 0 HG22 ILE A 33 -0.050 2.075 4.807 1.00 42.43 H new ATOM 0 HG23 ILE A 33 0.032 2.685 3.137 1.00 42.43 H new ATOM 0 HD11 ILE A 33 3.020 3.359 0.914 1.00 63.10 H new ATOM 0 HD12 ILE A 33 1.367 2.947 1.430 1.00 63.10 H new ATOM 0 HD13 ILE A 33 2.098 4.489 1.934 1.00 63.10 H new ATOM 554 N PRO A 34 -0.481 4.889 5.875 1.00 23.33 N ATOM 555 CA PRO A 34 -1.489 4.937 6.993 1.00 74.13 C ATOM 556 C PRO A 34 -1.964 3.542 7.508 1.00 23.13 C ATOM 557 O PRO A 34 -2.548 3.437 8.593 1.00 52.20 O ATOM 558 CB PRO A 34 -2.674 5.732 6.366 1.00 11.52 C ATOM 559 CG PRO A 34 -2.049 6.528 5.257 1.00 1.02 C ATOM 560 CD PRO A 34 -0.976 5.631 4.682 1.00 4.42 C ATOM 0 HA PRO A 34 -1.057 5.392 7.884 1.00 74.13 H new ATOM 0 HB2 PRO A 34 -3.445 5.061 5.987 1.00 11.52 H new ATOM 0 HB3 PRO A 34 -3.149 6.381 7.101 1.00 11.52 H new ATOM 0 HG2 PRO A 34 -2.786 6.795 4.500 1.00 1.02 H new ATOM 0 HG3 PRO A 34 -1.625 7.460 5.632 1.00 1.02 H new ATOM 0 HD2 PRO A 34 -1.377 4.956 3.926 1.00 4.42 H new ATOM 0 HD3 PRO A 34 -0.181 6.206 4.207 1.00 4.42 H new ATOM 568 N PHE A 35 -1.713 2.488 6.715 1.00 24.03 N ATOM 569 CA PHE A 35 -2.092 1.089 7.042 1.00 60.12 C ATOM 570 C PHE A 35 -0.834 0.184 7.226 1.00 72.14 C ATOM 571 O PHE A 35 0.280 0.580 6.854 1.00 12.33 O ATOM 572 CB PHE A 35 -2.960 0.506 5.895 1.00 71.02 C ATOM 573 CG PHE A 35 -4.241 1.277 5.590 1.00 55.41 C ATOM 574 CD1 PHE A 35 -5.412 1.037 6.310 1.00 62.11 C ATOM 575 CD2 PHE A 35 -4.281 2.232 4.570 1.00 20.44 C ATOM 576 CE1 PHE A 35 -6.573 1.729 6.028 1.00 42.14 C ATOM 577 CE2 PHE A 35 -5.443 2.920 4.291 1.00 25.10 C ATOM 578 CZ PHE A 35 -6.590 2.667 5.015 1.00 70.15 C ATOM 0 H PHE A 35 -1.236 2.576 5.817 1.00 24.03 H new ATOM 0 HA PHE A 35 -2.650 1.105 7.978 1.00 60.12 H new ATOM 0 HB2 PHE A 35 -2.356 0.465 4.989 1.00 71.02 H new ATOM 0 HB3 PHE A 35 -3.225 -0.521 6.148 1.00 71.02 H new ATOM 0 HD1 PHE A 35 -5.410 0.300 7.099 1.00 62.11 H new ATOM 0 HD2 PHE A 35 -3.390 2.434 3.993 1.00 20.44 H new ATOM 0 HE1 PHE A 35 -7.468 1.536 6.600 1.00 42.14 H new ATOM 0 HE2 PHE A 35 -5.455 3.659 3.504 1.00 25.10 H new ATOM 0 HZ PHE A 35 -7.500 3.202 4.789 1.00 70.15 H new ATOM 588 N PRO A 36 -0.984 -1.043 7.833 1.00 23.21 N ATOM 589 CA PRO A 36 0.017 -2.135 7.680 1.00 75.12 C ATOM 590 C PRO A 36 0.121 -2.626 6.212 1.00 44.23 C ATOM 591 O PRO A 36 -0.827 -2.476 5.433 1.00 4.14 O ATOM 592 CB PRO A 36 -0.522 -3.267 8.608 1.00 42.52 C ATOM 593 CG PRO A 36 -1.437 -2.561 9.567 1.00 21.22 C ATOM 594 CD PRO A 36 -2.068 -1.433 8.773 1.00 21.51 C ATOM 0 HA PRO A 36 1.023 -1.808 7.943 1.00 75.12 H new ATOM 0 HB2 PRO A 36 -1.055 -4.028 8.038 1.00 42.52 H new ATOM 0 HB3 PRO A 36 0.290 -3.771 9.132 1.00 42.52 H new ATOM 0 HG2 PRO A 36 -2.196 -3.239 9.956 1.00 21.22 H new ATOM 0 HG3 PRO A 36 -0.885 -2.176 10.424 1.00 21.22 H new ATOM 0 HD2 PRO A 36 -2.963 -1.762 8.244 1.00 21.51 H new ATOM 0 HD3 PRO A 36 -2.364 -0.603 9.415 1.00 21.51 H new ATOM 602 N VAL A 37 1.265 -3.238 5.861 1.00 44.22 N ATOM 603 CA VAL A 37 1.553 -3.752 4.492 1.00 51.34 C ATOM 604 C VAL A 37 0.480 -4.738 3.982 1.00 73.32 C ATOM 605 O VAL A 37 -0.028 -4.593 2.863 1.00 2.33 O ATOM 606 CB VAL A 37 2.965 -4.448 4.459 1.00 11.11 C ATOM 607 CG1 VAL A 37 3.266 -5.155 3.115 1.00 52.23 C ATOM 608 CG2 VAL A 37 4.061 -3.426 4.790 1.00 23.42 C ATOM 0 H VAL A 37 2.029 -3.396 6.518 1.00 44.22 H new ATOM 0 HA VAL A 37 1.543 -2.889 3.827 1.00 51.34 H new ATOM 0 HB VAL A 37 2.951 -5.230 5.218 1.00 11.11 H new ATOM 0 HG11 VAL A 37 4.254 -5.614 3.159 1.00 52.23 H new ATOM 0 HG12 VAL A 37 2.516 -5.925 2.933 1.00 52.23 H new ATOM 0 HG13 VAL A 37 3.241 -4.425 2.306 1.00 52.23 H new ATOM 0 HG21 VAL A 37 5.035 -3.916 4.765 1.00 23.42 H new ATOM 0 HG22 VAL A 37 4.041 -2.620 4.056 1.00 23.42 H new ATOM 0 HG23 VAL A 37 3.887 -3.015 5.784 1.00 23.42 H new ATOM 618 N GLU A 38 0.127 -5.733 4.820 1.00 73.34 N ATOM 619 CA GLU A 38 -0.830 -6.788 4.433 1.00 71.31 C ATOM 620 C GLU A 38 -2.275 -6.250 4.275 1.00 2.22 C ATOM 621 O GLU A 38 -3.103 -6.902 3.662 1.00 44.34 O ATOM 622 CB GLU A 38 -0.776 -7.977 5.427 1.00 70.32 C ATOM 623 CG GLU A 38 -1.467 -9.270 4.911 1.00 43.11 C ATOM 624 CD GLU A 38 -1.285 -10.496 5.822 1.00 32.30 C ATOM 625 OE1 GLU A 38 -0.216 -10.633 6.467 1.00 13.25 O ATOM 626 OE2 GLU A 38 -2.181 -11.365 5.850 1.00 20.14 O ATOM 0 H GLU A 38 0.490 -5.828 5.768 1.00 73.34 H new ATOM 0 HA GLU A 38 -0.525 -7.150 3.451 1.00 71.31 H new ATOM 0 HB2 GLU A 38 0.267 -8.201 5.652 1.00 70.32 H new ATOM 0 HB3 GLU A 38 -1.247 -7.675 6.363 1.00 70.32 H new ATOM 0 HG2 GLU A 38 -2.533 -9.075 4.793 1.00 43.11 H new ATOM 0 HG3 GLU A 38 -1.075 -9.507 3.922 1.00 43.11 H new ATOM 633 N LYS A 39 -2.565 -5.055 4.825 1.00 30.00 N ATOM 634 CA LYS A 39 -3.866 -4.367 4.621 1.00 54.30 C ATOM 635 C LYS A 39 -4.019 -3.943 3.126 1.00 1.23 C ATOM 636 O LYS A 39 -5.105 -4.031 2.548 1.00 24.15 O ATOM 637 CB LYS A 39 -3.983 -3.131 5.583 1.00 50.40 C ATOM 638 CG LYS A 39 -5.289 -3.060 6.407 1.00 3.55 C ATOM 639 CD LYS A 39 -6.562 -2.919 5.539 1.00 60.00 C ATOM 640 CE LYS A 39 -7.855 -2.929 6.374 1.00 3.41 C ATOM 641 NZ LYS A 39 -8.042 -4.208 7.112 1.00 32.14 N ATOM 0 H LYS A 39 -1.915 -4.539 5.418 1.00 30.00 H new ATOM 0 HA LYS A 39 -4.677 -5.054 4.861 1.00 54.30 H new ATOM 0 HB2 LYS A 39 -3.138 -3.145 6.272 1.00 50.40 H new ATOM 0 HB3 LYS A 39 -3.896 -2.220 4.991 1.00 50.40 H new ATOM 0 HG2 LYS A 39 -5.373 -3.959 7.017 1.00 3.55 H new ATOM 0 HG3 LYS A 39 -5.231 -2.214 7.092 1.00 3.55 H new ATOM 0 HD2 LYS A 39 -6.508 -1.990 4.971 1.00 60.00 H new ATOM 0 HD3 LYS A 39 -6.595 -3.734 4.815 1.00 60.00 H new ATOM 0 HE2 LYS A 39 -7.832 -2.102 7.084 1.00 3.41 H new ATOM 0 HE3 LYS A 39 -8.710 -2.762 5.718 1.00 3.41 H new ATOM 0 HZ1 LYS A 39 -8.992 -4.229 7.535 1.00 32.14 H new ATOM 0 HZ2 LYS A 39 -7.938 -5.007 6.454 1.00 32.14 H new ATOM 0 HZ3 LYS A 39 -7.327 -4.283 7.863 1.00 32.14 H new ATOM 655 N ILE A 40 -2.897 -3.498 2.525 1.00 53.34 N ATOM 656 CA ILE A 40 -2.807 -3.167 1.080 1.00 33.14 C ATOM 657 C ILE A 40 -2.812 -4.473 0.232 1.00 21.11 C ATOM 658 O ILE A 40 -3.493 -4.549 -0.794 1.00 25.52 O ATOM 659 CB ILE A 40 -1.511 -2.291 0.751 1.00 74.20 C ATOM 660 CG1 ILE A 40 -1.596 -0.844 1.351 1.00 24.33 C ATOM 661 CG2 ILE A 40 -1.242 -2.198 -0.767 1.00 70.34 C ATOM 662 CD1 ILE A 40 -1.505 -0.745 2.853 1.00 31.12 C ATOM 0 H ILE A 40 -2.021 -3.356 3.027 1.00 53.34 H new ATOM 0 HA ILE A 40 -3.679 -2.567 0.820 1.00 33.14 H new ATOM 0 HB ILE A 40 -0.680 -2.814 1.225 1.00 74.20 H new ATOM 0 HG12 ILE A 40 -0.795 -0.245 0.918 1.00 24.33 H new ATOM 0 HG13 ILE A 40 -2.537 -0.395 1.033 1.00 24.33 H new ATOM 0 HG21 ILE A 40 -0.352 -1.593 -0.942 1.00 70.34 H new ATOM 0 HG22 ILE A 40 -1.086 -3.198 -1.171 1.00 70.34 H new ATOM 0 HG23 ILE A 40 -2.097 -1.736 -1.260 1.00 70.34 H new ATOM 0 HD11 ILE A 40 -1.575 0.300 3.154 1.00 31.12 H new ATOM 0 HD12 ILE A 40 -2.322 -1.308 3.305 1.00 31.12 H new ATOM 0 HD13 ILE A 40 -0.552 -1.156 3.188 1.00 31.12 H new ATOM 674 N ILE A 41 -2.046 -5.492 0.693 1.00 23.24 N ATOM 675 CA ILE A 41 -1.961 -6.830 0.037 1.00 51.34 C ATOM 676 C ILE A 41 -3.339 -7.548 -0.015 1.00 53.53 C ATOM 677 O ILE A 41 -3.692 -8.150 -1.032 1.00 52.25 O ATOM 678 CB ILE A 41 -0.930 -7.773 0.785 1.00 70.41 C ATOM 679 CG1 ILE A 41 0.526 -7.231 0.665 1.00 70.51 C ATOM 680 CG2 ILE A 41 -1.007 -9.240 0.287 1.00 41.21 C ATOM 681 CD1 ILE A 41 1.591 -8.057 1.380 1.00 61.42 C ATOM 0 H ILE A 41 -1.468 -5.414 1.530 1.00 23.24 H new ATOM 0 HA ILE A 41 -1.621 -6.644 -0.982 1.00 51.34 H new ATOM 0 HB ILE A 41 -1.213 -7.769 1.838 1.00 70.41 H new ATOM 0 HG12 ILE A 41 0.787 -7.169 -0.391 1.00 70.51 H new ATOM 0 HG13 ILE A 41 0.552 -6.215 1.060 1.00 70.51 H new ATOM 0 HG21 ILE A 41 -0.282 -9.847 0.829 1.00 41.21 H new ATOM 0 HG22 ILE A 41 -2.010 -9.631 0.461 1.00 41.21 H new ATOM 0 HG23 ILE A 41 -0.784 -9.274 -0.779 1.00 41.21 H new ATOM 0 HD11 ILE A 41 2.568 -7.595 1.235 1.00 61.42 H new ATOM 0 HD12 ILE A 41 1.364 -8.099 2.445 1.00 61.42 H new ATOM 0 HD13 ILE A 41 1.603 -9.067 0.971 1.00 61.42 H new ATOM 693 N ASN A 42 -4.103 -7.468 1.088 1.00 5.13 N ATOM 694 CA ASN A 42 -5.335 -8.268 1.283 1.00 32.53 C ATOM 695 C ASN A 42 -6.480 -7.700 0.417 1.00 51.22 C ATOM 696 O ASN A 42 -7.250 -8.458 -0.186 1.00 74.01 O ATOM 697 CB ASN A 42 -5.738 -8.279 2.792 1.00 4.14 C ATOM 698 CG ASN A 42 -6.599 -9.469 3.253 1.00 3.44 C ATOM 699 OD1 ASN A 42 -6.609 -9.804 4.430 1.00 10.03 O ATOM 700 ND2 ASN A 42 -7.295 -10.145 2.357 1.00 21.44 N ATOM 0 H ASN A 42 -3.889 -6.850 1.871 1.00 5.13 H new ATOM 0 HA ASN A 42 -5.143 -9.295 0.971 1.00 32.53 H new ATOM 0 HB2 ASN A 42 -4.827 -8.262 3.391 1.00 4.14 H new ATOM 0 HB3 ASN A 42 -6.280 -7.359 3.009 1.00 4.14 H new ATOM 0 HD21 ASN A 42 -7.847 -10.953 2.644 1.00 21.44 H new ATOM 0 HD22 ASN A 42 -7.281 -9.859 1.378 1.00 21.44 H new ATOM 707 N LEU A 43 -6.559 -6.367 0.362 1.00 24.32 N ATOM 708 CA LEU A 43 -7.510 -5.645 -0.500 1.00 11.30 C ATOM 709 C LEU A 43 -7.081 -5.723 -1.995 1.00 20.10 C ATOM 710 O LEU A 43 -6.005 -5.222 -2.354 1.00 41.40 O ATOM 711 CB LEU A 43 -7.621 -4.166 -0.033 1.00 31.04 C ATOM 712 CG LEU A 43 -8.292 -3.951 1.366 1.00 62.24 C ATOM 713 CD1 LEU A 43 -8.191 -2.481 1.835 1.00 0.22 C ATOM 714 CD2 LEU A 43 -9.766 -4.431 1.351 1.00 10.24 C ATOM 0 H LEU A 43 -5.963 -5.752 0.916 1.00 24.32 H new ATOM 0 HA LEU A 43 -8.488 -6.118 -0.414 1.00 11.30 H new ATOM 0 HB2 LEU A 43 -6.620 -3.735 -0.007 1.00 31.04 H new ATOM 0 HB3 LEU A 43 -8.189 -3.609 -0.779 1.00 31.04 H new ATOM 0 HG LEU A 43 -7.742 -4.557 2.087 1.00 62.24 H new ATOM 0 HD11 LEU A 43 -8.669 -2.376 2.809 1.00 0.22 H new ATOM 0 HD12 LEU A 43 -7.142 -2.195 1.913 1.00 0.22 H new ATOM 0 HD13 LEU A 43 -8.691 -1.834 1.114 1.00 0.22 H new ATOM 0 HD21 LEU A 43 -10.211 -4.271 2.333 1.00 10.24 H new ATOM 0 HD22 LEU A 43 -10.325 -3.867 0.604 1.00 10.24 H new ATOM 0 HD23 LEU A 43 -9.801 -5.492 1.105 1.00 10.24 H new ATOM 726 N PRO A 44 -7.899 -6.386 -2.890 1.00 74.34 N ATOM 727 CA PRO A 44 -7.616 -6.452 -4.356 1.00 11.55 C ATOM 728 C PRO A 44 -7.535 -5.041 -5.000 1.00 0.55 C ATOM 729 O PRO A 44 -8.124 -4.101 -4.475 1.00 20.23 O ATOM 730 CB PRO A 44 -8.811 -7.279 -4.919 1.00 24.14 C ATOM 731 CG PRO A 44 -9.346 -8.037 -3.736 1.00 55.12 C ATOM 732 CD PRO A 44 -9.149 -7.121 -2.551 1.00 71.12 C ATOM 0 HA PRO A 44 -6.649 -6.904 -4.575 1.00 11.55 H new ATOM 0 HB2 PRO A 44 -9.573 -6.630 -5.350 1.00 24.14 H new ATOM 0 HB3 PRO A 44 -8.486 -7.956 -5.709 1.00 24.14 H new ATOM 0 HG2 PRO A 44 -10.399 -8.284 -3.871 1.00 55.12 H new ATOM 0 HG3 PRO A 44 -8.813 -8.978 -3.598 1.00 55.12 H new ATOM 0 HD2 PRO A 44 -9.992 -6.442 -2.423 1.00 71.12 H new ATOM 0 HD3 PRO A 44 -9.047 -7.682 -1.622 1.00 71.12 H new ATOM 740 N VAL A 45 -6.829 -4.914 -6.145 1.00 53.04 N ATOM 741 CA VAL A 45 -6.507 -3.595 -6.767 1.00 13.52 C ATOM 742 C VAL A 45 -7.767 -2.745 -7.070 1.00 12.25 C ATOM 743 O VAL A 45 -7.776 -1.548 -6.802 1.00 4.11 O ATOM 744 CB VAL A 45 -5.620 -3.761 -8.067 1.00 32.11 C ATOM 745 CG1 VAL A 45 -5.391 -2.413 -8.808 1.00 24.04 C ATOM 746 CG2 VAL A 45 -4.266 -4.416 -7.705 1.00 14.53 C ATOM 0 H VAL A 45 -6.465 -5.712 -6.667 1.00 53.04 H new ATOM 0 HA VAL A 45 -5.927 -3.050 -6.023 1.00 13.52 H new ATOM 0 HB VAL A 45 -6.166 -4.410 -8.752 1.00 32.11 H new ATOM 0 HG11 VAL A 45 -4.777 -2.584 -9.692 1.00 24.04 H new ATOM 0 HG12 VAL A 45 -6.352 -1.995 -9.109 1.00 24.04 H new ATOM 0 HG13 VAL A 45 -4.884 -1.714 -8.143 1.00 24.04 H new ATOM 0 HG21 VAL A 45 -3.663 -4.526 -8.606 1.00 14.53 H new ATOM 0 HG22 VAL A 45 -3.737 -3.787 -6.989 1.00 14.53 H new ATOM 0 HG23 VAL A 45 -4.443 -5.397 -7.265 1.00 14.53 H new ATOM 756 N VAL A 46 -8.827 -3.382 -7.581 1.00 63.23 N ATOM 757 CA VAL A 46 -10.113 -2.700 -7.886 1.00 62.12 C ATOM 758 C VAL A 46 -10.786 -2.152 -6.588 1.00 33.52 C ATOM 759 O VAL A 46 -11.227 -0.997 -6.542 1.00 24.51 O ATOM 760 CB VAL A 46 -11.092 -3.680 -8.639 1.00 64.42 C ATOM 761 CG1 VAL A 46 -12.455 -3.021 -8.955 1.00 54.30 C ATOM 762 CG2 VAL A 46 -10.439 -4.224 -9.934 1.00 0.35 C ATOM 0 H VAL A 46 -8.829 -4.379 -7.798 1.00 63.23 H new ATOM 0 HA VAL A 46 -9.895 -1.852 -8.536 1.00 62.12 H new ATOM 0 HB VAL A 46 -11.285 -4.514 -7.965 1.00 64.42 H new ATOM 0 HG11 VAL A 46 -13.093 -3.736 -9.474 1.00 54.30 H new ATOM 0 HG12 VAL A 46 -12.935 -2.714 -8.026 1.00 54.30 H new ATOM 0 HG13 VAL A 46 -12.299 -2.148 -9.589 1.00 54.30 H new ATOM 0 HG21 VAL A 46 -11.133 -4.898 -10.436 1.00 0.35 H new ATOM 0 HG22 VAL A 46 -10.197 -3.393 -10.596 1.00 0.35 H new ATOM 0 HG23 VAL A 46 -9.527 -4.765 -9.682 1.00 0.35 H new ATOM 772 N ASP A 47 -10.810 -2.993 -5.537 1.00 45.41 N ATOM 773 CA ASP A 47 -11.416 -2.660 -4.220 1.00 1.10 C ATOM 774 C ASP A 47 -10.608 -1.573 -3.455 1.00 62.14 C ATOM 775 O ASP A 47 -11.182 -0.690 -2.808 1.00 23.12 O ATOM 776 CB ASP A 47 -11.513 -3.951 -3.362 1.00 53.02 C ATOM 777 CG ASP A 47 -12.402 -5.031 -4.000 1.00 71.22 C ATOM 778 OD1 ASP A 47 -11.939 -5.725 -4.935 1.00 0.10 O ATOM 779 OD2 ASP A 47 -13.570 -5.192 -3.576 1.00 35.40 O ATOM 0 H ASP A 47 -10.409 -3.930 -5.571 1.00 45.41 H new ATOM 0 HA ASP A 47 -12.410 -2.250 -4.403 1.00 1.10 H new ATOM 0 HB2 ASP A 47 -10.512 -4.355 -3.210 1.00 53.02 H new ATOM 0 HB3 ASP A 47 -11.908 -3.698 -2.378 1.00 53.02 H new ATOM 784 N PHE A 48 -9.269 -1.667 -3.530 1.00 22.42 N ATOM 785 CA PHE A 48 -8.353 -0.742 -2.837 1.00 21.15 C ATOM 786 C PHE A 48 -8.306 0.638 -3.544 1.00 71.23 C ATOM 787 O PHE A 48 -8.255 1.674 -2.886 1.00 13.43 O ATOM 788 CB PHE A 48 -6.928 -1.359 -2.727 1.00 54.52 C ATOM 789 CG PHE A 48 -5.989 -0.524 -1.850 1.00 71.21 C ATOM 790 CD1 PHE A 48 -6.017 -0.651 -0.459 1.00 1.11 C ATOM 791 CD2 PHE A 48 -5.123 0.419 -2.403 1.00 12.04 C ATOM 792 CE1 PHE A 48 -5.218 0.135 0.349 1.00 3.30 C ATOM 793 CE2 PHE A 48 -4.336 1.213 -1.594 1.00 10.42 C ATOM 794 CZ PHE A 48 -4.372 1.065 -0.221 1.00 10.30 C ATOM 0 H PHE A 48 -8.791 -2.386 -4.073 1.00 22.42 H new ATOM 0 HA PHE A 48 -8.736 -0.584 -1.829 1.00 21.15 H new ATOM 0 HB2 PHE A 48 -7.003 -2.366 -2.316 1.00 54.52 H new ATOM 0 HB3 PHE A 48 -6.499 -1.453 -3.725 1.00 54.52 H new ATOM 0 HD1 PHE A 48 -6.676 -1.377 -0.007 1.00 1.11 H new ATOM 0 HD2 PHE A 48 -5.068 0.529 -3.476 1.00 12.04 H new ATOM 0 HE1 PHE A 48 -5.255 0.022 1.422 1.00 3.30 H new ATOM 0 HE2 PHE A 48 -3.688 1.955 -2.037 1.00 10.42 H new ATOM 0 HZ PHE A 48 -3.739 1.676 0.406 1.00 10.30 H new ATOM 804 N ASN A 49 -8.315 0.635 -4.894 1.00 12.43 N ATOM 805 CA ASN A 49 -8.341 1.880 -5.712 1.00 1.44 C ATOM 806 C ASN A 49 -9.696 2.612 -5.598 1.00 34.30 C ATOM 807 O ASN A 49 -9.759 3.825 -5.789 1.00 22.51 O ATOM 808 CB ASN A 49 -7.982 1.595 -7.195 1.00 44.43 C ATOM 809 CG ASN A 49 -6.488 1.309 -7.411 1.00 71.21 C ATOM 810 OD1 ASN A 49 -5.781 0.866 -6.514 1.00 52.53 O ATOM 811 ND2 ASN A 49 -5.999 1.549 -8.604 1.00 45.44 N ATOM 0 H ASN A 49 -8.305 -0.220 -5.450 1.00 12.43 H new ATOM 0 HA ASN A 49 -7.576 2.543 -5.308 1.00 1.44 H new ATOM 0 HB2 ASN A 49 -8.563 0.742 -7.545 1.00 44.43 H new ATOM 0 HB3 ASN A 49 -8.273 2.451 -7.804 1.00 44.43 H new ATOM 0 HD21 ASN A 49 -5.014 1.367 -8.798 1.00 45.44 H new ATOM 0 HD22 ASN A 49 -6.603 1.918 -9.338 1.00 45.44 H new ATOM 818 N GLU A 50 -10.774 1.852 -5.319 1.00 23.12 N ATOM 819 CA GLU A 50 -12.096 2.415 -4.950 1.00 4.54 C ATOM 820 C GLU A 50 -11.965 3.324 -3.694 1.00 23.53 C ATOM 821 O GLU A 50 -12.486 4.446 -3.662 1.00 4.02 O ATOM 822 CB GLU A 50 -13.102 1.256 -4.685 1.00 1.21 C ATOM 823 CG GLU A 50 -14.559 1.683 -4.375 1.00 4.15 C ATOM 824 CD GLU A 50 -15.326 2.219 -5.600 1.00 21.53 C ATOM 825 OE1 GLU A 50 -15.216 3.420 -5.923 1.00 3.43 O ATOM 826 OE2 GLU A 50 -16.051 1.435 -6.246 1.00 3.34 O ATOM 0 H GLU A 50 -10.757 0.832 -5.342 1.00 23.12 H new ATOM 0 HA GLU A 50 -12.468 3.025 -5.773 1.00 4.54 H new ATOM 0 HB2 GLU A 50 -13.113 0.603 -5.558 1.00 1.21 H new ATOM 0 HB3 GLU A 50 -12.732 0.663 -3.849 1.00 1.21 H new ATOM 0 HG2 GLU A 50 -15.098 0.829 -3.966 1.00 4.15 H new ATOM 0 HG3 GLU A 50 -14.546 2.451 -3.602 1.00 4.15 H new ATOM 833 N MET A 51 -11.235 2.817 -2.672 1.00 1.32 N ATOM 834 CA MET A 51 -10.887 3.588 -1.448 1.00 2.33 C ATOM 835 C MET A 51 -9.961 4.786 -1.786 1.00 72.32 C ATOM 836 O MET A 51 -10.200 5.909 -1.344 1.00 35.20 O ATOM 837 CB MET A 51 -10.192 2.662 -0.402 1.00 73.53 C ATOM 838 CG MET A 51 -9.819 3.343 0.932 1.00 51.22 C ATOM 839 SD MET A 51 -8.820 2.293 2.018 1.00 12.34 S ATOM 840 CE MET A 51 -9.905 0.890 2.303 1.00 70.31 C ATOM 0 H MET A 51 -10.870 1.864 -2.670 1.00 1.32 H new ATOM 0 HA MET A 51 -11.813 3.977 -1.024 1.00 2.33 H new ATOM 0 HB2 MET A 51 -10.852 1.821 -0.190 1.00 73.53 H new ATOM 0 HB3 MET A 51 -9.286 2.252 -0.848 1.00 73.53 H new ATOM 0 HG2 MET A 51 -9.271 4.262 0.722 1.00 51.22 H new ATOM 0 HG3 MET A 51 -10.732 3.629 1.454 1.00 51.22 H new ATOM 0 HE1 MET A 51 -9.479 0.252 3.077 1.00 70.31 H new ATOM 0 HE2 MET A 51 -10.884 1.246 2.625 1.00 70.31 H new ATOM 0 HE3 MET A 51 -10.012 0.319 1.380 1.00 70.31 H new ATOM 850 N MET A 52 -8.926 4.517 -2.605 1.00 30.12 N ATOM 851 CA MET A 52 -7.890 5.504 -3.007 1.00 12.55 C ATOM 852 C MET A 52 -8.476 6.686 -3.827 1.00 10.43 C ATOM 853 O MET A 52 -7.933 7.792 -3.794 1.00 75.31 O ATOM 854 CB MET A 52 -6.758 4.754 -3.778 1.00 13.43 C ATOM 855 CG MET A 52 -5.638 5.630 -4.386 1.00 3.12 C ATOM 856 SD MET A 52 -6.163 6.492 -5.894 1.00 43.31 S ATOM 857 CE MET A 52 -4.703 7.415 -6.369 1.00 4.51 C ATOM 0 H MET A 52 -8.779 3.595 -3.015 1.00 30.12 H new ATOM 0 HA MET A 52 -7.473 5.962 -2.110 1.00 12.55 H new ATOM 0 HB2 MET A 52 -6.299 4.038 -3.097 1.00 13.43 H new ATOM 0 HB3 MET A 52 -7.217 4.180 -4.583 1.00 13.43 H new ATOM 0 HG2 MET A 52 -5.315 6.363 -3.647 1.00 3.12 H new ATOM 0 HG3 MET A 52 -4.775 5.004 -4.612 1.00 3.12 H new ATOM 0 HE1 MET A 52 -5.001 8.375 -6.790 1.00 4.51 H new ATOM 0 HE2 MET A 52 -4.077 7.582 -5.492 1.00 4.51 H new ATOM 0 HE3 MET A 52 -4.142 6.850 -7.114 1.00 4.51 H new ATOM 867 N SER A 53 -9.597 6.450 -4.535 1.00 23.13 N ATOM 868 CA SER A 53 -10.292 7.502 -5.326 1.00 43.34 C ATOM 869 C SER A 53 -10.823 8.657 -4.437 1.00 25.44 C ATOM 870 O SER A 53 -11.022 9.780 -4.921 1.00 60.15 O ATOM 871 CB SER A 53 -11.455 6.884 -6.142 1.00 74.41 C ATOM 872 OG SER A 53 -10.983 5.958 -7.110 1.00 33.34 O ATOM 0 H SER A 53 -10.048 5.536 -4.580 1.00 23.13 H new ATOM 0 HA SER A 53 -9.555 7.927 -6.007 1.00 43.34 H new ATOM 0 HB2 SER A 53 -12.148 6.383 -5.466 1.00 74.41 H new ATOM 0 HB3 SER A 53 -12.013 7.678 -6.639 1.00 74.41 H new ATOM 0 HG SER A 53 -10.549 5.205 -6.658 1.00 33.34 H new ATOM 878 N LYS A 54 -11.064 8.370 -3.139 1.00 5.33 N ATOM 879 CA LYS A 54 -11.541 9.376 -2.158 1.00 13.25 C ATOM 880 C LYS A 54 -10.441 9.678 -1.117 1.00 11.24 C ATOM 881 O LYS A 54 -10.081 10.842 -0.890 1.00 53.23 O ATOM 882 CB LYS A 54 -12.852 8.868 -1.495 1.00 34.23 C ATOM 883 CG LYS A 54 -13.969 8.511 -2.514 1.00 40.45 C ATOM 884 CD LYS A 54 -14.413 9.722 -3.381 1.00 63.33 C ATOM 885 CE LYS A 54 -15.230 9.307 -4.623 1.00 22.04 C ATOM 886 NZ LYS A 54 -16.442 8.514 -4.288 1.00 54.41 N ATOM 0 H LYS A 54 -10.935 7.440 -2.741 1.00 5.33 H new ATOM 0 HA LYS A 54 -11.762 10.314 -2.667 1.00 13.25 H new ATOM 0 HB2 LYS A 54 -12.627 7.988 -0.893 1.00 34.23 H new ATOM 0 HB3 LYS A 54 -13.225 9.633 -0.814 1.00 34.23 H new ATOM 0 HG2 LYS A 54 -13.615 7.714 -3.168 1.00 40.45 H new ATOM 0 HG3 LYS A 54 -14.833 8.121 -1.975 1.00 40.45 H new ATOM 0 HD2 LYS A 54 -15.010 10.400 -2.770 1.00 63.33 H new ATOM 0 HD3 LYS A 54 -13.530 10.275 -3.702 1.00 63.33 H new ATOM 0 HE2 LYS A 54 -15.529 10.202 -5.169 1.00 22.04 H new ATOM 0 HE3 LYS A 54 -14.595 8.724 -5.290 1.00 22.04 H new ATOM 0 HZ1 LYS A 54 -16.965 8.295 -5.160 1.00 54.41 H new ATOM 0 HZ2 LYS A 54 -16.159 7.628 -3.822 1.00 54.41 H new ATOM 0 HZ3 LYS A 54 -17.050 9.063 -3.648 1.00 54.41 H new ATOM 900 N GLU A 55 -9.913 8.615 -0.487 1.00 62.13 N ATOM 901 CA GLU A 55 -8.728 8.691 0.398 1.00 52.14 C ATOM 902 C GLU A 55 -7.437 8.448 -0.420 1.00 34.23 C ATOM 903 O GLU A 55 -6.867 7.345 -0.418 1.00 32.45 O ATOM 904 CB GLU A 55 -8.834 7.671 1.574 1.00 13.21 C ATOM 905 CG GLU A 55 -9.904 7.988 2.648 1.00 5.23 C ATOM 906 CD GLU A 55 -11.343 8.040 2.105 1.00 52.24 C ATOM 907 OE1 GLU A 55 -11.851 6.997 1.640 1.00 33.31 O ATOM 908 OE2 GLU A 55 -11.974 9.121 2.134 1.00 34.14 O ATOM 0 H GLU A 55 -10.294 7.673 -0.575 1.00 62.13 H new ATOM 0 HA GLU A 55 -8.689 9.691 0.830 1.00 52.14 H new ATOM 0 HB2 GLU A 55 -9.045 6.686 1.158 1.00 13.21 H new ATOM 0 HB3 GLU A 55 -7.862 7.608 2.064 1.00 13.21 H new ATOM 0 HG2 GLU A 55 -9.850 7.233 3.433 1.00 5.23 H new ATOM 0 HG3 GLU A 55 -9.667 8.946 3.110 1.00 5.23 H new ATOM 915 N GLN A 56 -7.009 9.484 -1.157 1.00 73.35 N ATOM 916 CA GLN A 56 -5.805 9.425 -2.007 1.00 74.00 C ATOM 917 C GLN A 56 -4.520 9.589 -1.161 1.00 62.14 C ATOM 918 O GLN A 56 -4.437 10.462 -0.289 1.00 62.43 O ATOM 919 CB GLN A 56 -5.877 10.509 -3.116 1.00 71.42 C ATOM 920 CG GLN A 56 -4.655 10.546 -4.057 1.00 22.13 C ATOM 921 CD GLN A 56 -4.762 11.606 -5.154 1.00 35.24 C ATOM 922 OE1 GLN A 56 -5.244 11.337 -6.250 1.00 20.14 O ATOM 923 NE2 GLN A 56 -4.336 12.823 -4.864 1.00 10.31 N ATOM 0 H GLN A 56 -7.485 10.386 -1.182 1.00 73.35 H new ATOM 0 HA GLN A 56 -5.768 8.444 -2.482 1.00 74.00 H new ATOM 0 HB2 GLN A 56 -6.774 10.341 -3.713 1.00 71.42 H new ATOM 0 HB3 GLN A 56 -5.986 11.486 -2.645 1.00 71.42 H new ATOM 0 HG2 GLN A 56 -3.758 10.734 -3.467 1.00 22.13 H new ATOM 0 HG3 GLN A 56 -4.533 9.567 -4.520 1.00 22.13 H new ATOM 0 HE21 GLN A 56 -3.940 13.019 -3.945 1.00 10.31 H new ATOM 0 HE22 GLN A 56 -4.404 13.566 -5.559 1.00 10.31 H new ATOM 932 N PHE A 57 -3.523 8.739 -1.437 1.00 21.10 N ATOM 933 CA PHE A 57 -2.222 8.756 -0.739 1.00 54.21 C ATOM 934 C PHE A 57 -1.222 9.647 -1.508 1.00 61.14 C ATOM 935 O PHE A 57 -1.524 10.126 -2.612 1.00 74.31 O ATOM 936 CB PHE A 57 -1.692 7.301 -0.604 1.00 3.00 C ATOM 937 CG PHE A 57 -2.719 6.335 0.006 1.00 0.02 C ATOM 938 CD1 PHE A 57 -3.649 5.665 -0.805 1.00 75.31 C ATOM 939 CD2 PHE A 57 -2.773 6.111 1.381 1.00 35.25 C ATOM 940 CE1 PHE A 57 -4.582 4.804 -0.256 1.00 72.23 C ATOM 941 CE2 PHE A 57 -3.708 5.251 1.925 1.00 22.31 C ATOM 942 CZ PHE A 57 -4.612 4.598 1.109 1.00 42.14 C ATOM 0 H PHE A 57 -3.592 8.016 -2.153 1.00 21.10 H new ATOM 0 HA PHE A 57 -2.343 9.175 0.260 1.00 54.21 H new ATOM 0 HB2 PHE A 57 -1.399 6.935 -1.588 1.00 3.00 H new ATOM 0 HB3 PHE A 57 -0.794 7.304 0.015 1.00 3.00 H new ATOM 0 HD1 PHE A 57 -3.636 5.824 -1.873 1.00 75.31 H new ATOM 0 HD2 PHE A 57 -2.074 6.617 2.030 1.00 35.25 H new ATOM 0 HE1 PHE A 57 -5.287 4.293 -0.895 1.00 72.23 H new ATOM 0 HE2 PHE A 57 -3.732 5.089 2.992 1.00 22.31 H new ATOM 0 HZ PHE A 57 -5.341 3.927 1.538 1.00 42.14 H new ATOM 952 N ASN A 58 -0.035 9.875 -0.920 1.00 22.14 N ATOM 953 CA ASN A 58 1.043 10.655 -1.577 1.00 61.21 C ATOM 954 C ASN A 58 1.641 9.857 -2.760 1.00 43.53 C ATOM 955 O ASN A 58 1.576 8.633 -2.765 1.00 4.23 O ATOM 956 CB ASN A 58 2.135 11.014 -0.544 1.00 12.12 C ATOM 957 CG ASN A 58 1.615 11.919 0.580 1.00 50.44 C ATOM 958 OD1 ASN A 58 1.708 13.143 0.515 1.00 45.50 O ATOM 959 ND2 ASN A 58 1.045 11.331 1.615 1.00 11.24 N ATOM 0 H ASN A 58 0.208 9.532 0.010 1.00 22.14 H new ATOM 0 HA ASN A 58 0.624 11.580 -1.973 1.00 61.21 H new ATOM 0 HB2 ASN A 58 2.534 10.097 -0.111 1.00 12.12 H new ATOM 0 HB3 ASN A 58 2.960 11.512 -1.053 1.00 12.12 H new ATOM 0 HD21 ASN A 58 0.672 11.894 2.380 1.00 11.24 H new ATOM 0 HD22 ASN A 58 0.977 10.314 1.650 1.00 11.24 H new ATOM 966 N GLU A 59 2.230 10.563 -3.749 1.00 41.43 N ATOM 967 CA GLU A 59 2.691 9.944 -5.033 1.00 65.31 C ATOM 968 C GLU A 59 3.718 8.779 -4.837 1.00 1.43 C ATOM 969 O GLU A 59 3.670 7.778 -5.561 1.00 64.54 O ATOM 970 CB GLU A 59 3.225 11.034 -6.037 1.00 3.34 C ATOM 971 CG GLU A 59 3.978 12.242 -5.428 1.00 45.23 C ATOM 972 CD GLU A 59 5.225 11.872 -4.605 1.00 11.24 C ATOM 973 OE1 GLU A 59 6.272 11.548 -5.201 1.00 52.14 O ATOM 974 OE2 GLU A 59 5.164 11.896 -3.352 1.00 23.11 O ATOM 0 H GLU A 59 2.403 11.567 -3.692 1.00 41.43 H new ATOM 0 HA GLU A 59 1.809 9.481 -5.476 1.00 65.31 H new ATOM 0 HB2 GLU A 59 3.890 10.543 -6.747 1.00 3.34 H new ATOM 0 HB3 GLU A 59 2.377 11.415 -6.606 1.00 3.34 H new ATOM 0 HG2 GLU A 59 4.277 12.911 -6.235 1.00 45.23 H new ATOM 0 HG3 GLU A 59 3.290 12.798 -4.791 1.00 45.23 H new ATOM 981 N ALA A 60 4.614 8.909 -3.833 1.00 23.42 N ATOM 982 CA ALA A 60 5.603 7.859 -3.480 1.00 23.14 C ATOM 983 C ALA A 60 4.944 6.683 -2.716 1.00 53.35 C ATOM 984 O ALA A 60 5.346 5.527 -2.882 1.00 73.43 O ATOM 985 CB ALA A 60 6.757 8.464 -2.664 1.00 52.30 C ATOM 0 H ALA A 60 4.674 9.740 -3.245 1.00 23.42 H new ATOM 0 HA ALA A 60 6.006 7.455 -4.409 1.00 23.14 H new ATOM 0 HB1 ALA A 60 7.474 7.682 -2.413 1.00 52.30 H new ATOM 0 HB2 ALA A 60 7.253 9.236 -3.252 1.00 52.30 H new ATOM 0 HB3 ALA A 60 6.363 8.903 -1.748 1.00 52.30 H new ATOM 991 N GLN A 61 3.937 7.001 -1.875 1.00 5.22 N ATOM 992 CA GLN A 61 3.087 5.988 -1.197 1.00 65.04 C ATOM 993 C GLN A 61 2.287 5.147 -2.222 1.00 42.13 C ATOM 994 O GLN A 61 2.154 3.943 -2.056 1.00 41.10 O ATOM 995 CB GLN A 61 2.117 6.679 -0.193 1.00 62.25 C ATOM 996 CG GLN A 61 2.781 7.165 1.113 1.00 60.10 C ATOM 997 CD GLN A 61 1.881 8.037 1.990 1.00 0.11 C ATOM 998 OE1 GLN A 61 0.655 7.937 1.966 1.00 4.31 O ATOM 999 NE2 GLN A 61 2.482 8.898 2.787 1.00 72.21 N ATOM 0 H GLN A 61 3.688 7.963 -1.645 1.00 5.22 H new ATOM 0 HA GLN A 61 3.744 5.314 -0.648 1.00 65.04 H new ATOM 0 HB2 GLN A 61 1.651 7.532 -0.687 1.00 62.25 H new ATOM 0 HB3 GLN A 61 1.319 5.981 0.059 1.00 62.25 H new ATOM 0 HG2 GLN A 61 3.099 6.297 1.690 1.00 60.10 H new ATOM 0 HG3 GLN A 61 3.680 7.728 0.862 1.00 60.10 H new ATOM 0 HE21 GLN A 61 3.500 8.965 2.791 1.00 72.21 H new ATOM 0 HE22 GLN A 61 1.929 9.498 3.400 1.00 72.21 H new ATOM 1008 N LEU A 62 1.773 5.807 -3.276 1.00 34.13 N ATOM 1009 CA LEU A 62 1.018 5.148 -4.368 1.00 33.34 C ATOM 1010 C LEU A 62 1.915 4.184 -5.171 1.00 73.22 C ATOM 1011 O LEU A 62 1.502 3.071 -5.513 1.00 34.02 O ATOM 1012 CB LEU A 62 0.412 6.222 -5.311 1.00 11.04 C ATOM 1013 CG LEU A 62 -0.667 7.148 -4.667 1.00 35.53 C ATOM 1014 CD1 LEU A 62 -1.074 8.296 -5.617 1.00 64.40 C ATOM 1015 CD2 LEU A 62 -1.899 6.328 -4.220 1.00 21.32 C ATOM 0 H LEU A 62 1.868 6.815 -3.399 1.00 34.13 H new ATOM 0 HA LEU A 62 0.215 4.562 -3.920 1.00 33.34 H new ATOM 0 HB2 LEU A 62 1.221 6.846 -5.691 1.00 11.04 H new ATOM 0 HB3 LEU A 62 -0.032 5.718 -6.170 1.00 11.04 H new ATOM 0 HG LEU A 62 -0.224 7.604 -3.782 1.00 35.53 H new ATOM 0 HD11 LEU A 62 -1.827 8.919 -5.134 1.00 64.40 H new ATOM 0 HD12 LEU A 62 -0.199 8.901 -5.852 1.00 64.40 H new ATOM 0 HD13 LEU A 62 -1.484 7.879 -6.537 1.00 64.40 H new ATOM 0 HD21 LEU A 62 -2.637 6.994 -3.774 1.00 21.32 H new ATOM 0 HD22 LEU A 62 -2.336 5.828 -5.084 1.00 21.32 H new ATOM 0 HD23 LEU A 62 -1.593 5.583 -3.486 1.00 21.32 H new ATOM 1027 N ALA A 63 3.142 4.651 -5.475 1.00 64.11 N ATOM 1028 CA ALA A 63 4.187 3.841 -6.139 1.00 44.30 C ATOM 1029 C ALA A 63 4.526 2.576 -5.321 1.00 62.30 C ATOM 1030 O ALA A 63 4.613 1.468 -5.868 1.00 74.23 O ATOM 1031 CB ALA A 63 5.443 4.702 -6.365 1.00 15.33 C ATOM 0 H ALA A 63 3.439 5.604 -5.267 1.00 64.11 H new ATOM 0 HA ALA A 63 3.805 3.507 -7.104 1.00 44.30 H new ATOM 0 HB1 ALA A 63 6.211 4.103 -6.854 1.00 15.33 H new ATOM 0 HB2 ALA A 63 5.191 5.555 -6.996 1.00 15.33 H new ATOM 0 HB3 ALA A 63 5.817 5.059 -5.405 1.00 15.33 H new ATOM 1037 N LEU A 64 4.697 2.768 -4.001 1.00 43.33 N ATOM 1038 CA LEU A 64 4.979 1.674 -3.054 1.00 73.40 C ATOM 1039 C LEU A 64 3.796 0.678 -2.940 1.00 50.00 C ATOM 1040 O LEU A 64 4.006 -0.522 -2.960 1.00 64.23 O ATOM 1041 CB LEU A 64 5.318 2.254 -1.663 1.00 63.13 C ATOM 1042 CG LEU A 64 5.813 1.218 -0.607 1.00 71.33 C ATOM 1043 CD1 LEU A 64 7.151 0.569 -1.031 1.00 54.12 C ATOM 1044 CD2 LEU A 64 5.924 1.851 0.784 1.00 3.15 C ATOM 0 H LEU A 64 4.644 3.686 -3.560 1.00 43.33 H new ATOM 0 HA LEU A 64 5.835 1.120 -3.440 1.00 73.40 H new ATOM 0 HB2 LEU A 64 6.086 3.018 -1.784 1.00 63.13 H new ATOM 0 HB3 LEU A 64 4.432 2.752 -1.270 1.00 63.13 H new ATOM 0 HG LEU A 64 5.066 0.426 -0.555 1.00 71.33 H new ATOM 0 HD11 LEU A 64 7.465 -0.147 -0.271 1.00 54.12 H new ATOM 0 HD12 LEU A 64 7.020 0.054 -1.983 1.00 54.12 H new ATOM 0 HD13 LEU A 64 7.912 1.342 -1.138 1.00 54.12 H new ATOM 0 HD21 LEU A 64 6.271 1.103 1.497 1.00 3.15 H new ATOM 0 HD22 LEU A 64 6.633 2.679 0.752 1.00 3.15 H new ATOM 0 HD23 LEU A 64 4.947 2.222 1.094 1.00 3.15 H new ATOM 1056 N ILE A 65 2.563 1.207 -2.829 1.00 42.24 N ATOM 1057 CA ILE A 65 1.309 0.411 -2.691 1.00 54.44 C ATOM 1058 C ILE A 65 1.097 -0.576 -3.870 1.00 60.11 C ATOM 1059 O ILE A 65 0.764 -1.752 -3.663 1.00 4.11 O ATOM 1060 CB ILE A 65 0.067 1.392 -2.537 1.00 41.42 C ATOM 1061 CG1 ILE A 65 -0.046 1.888 -1.050 1.00 15.52 C ATOM 1062 CG2 ILE A 65 -1.265 0.774 -3.044 1.00 40.11 C ATOM 1063 CD1 ILE A 65 -1.077 2.978 -0.803 1.00 34.04 C ATOM 0 H ILE A 65 2.398 2.214 -2.832 1.00 42.24 H new ATOM 0 HA ILE A 65 1.400 -0.201 -1.793 1.00 54.44 H new ATOM 0 HB ILE A 65 0.250 2.253 -3.181 1.00 41.42 H new ATOM 0 HG12 ILE A 65 -0.286 1.034 -0.417 1.00 15.52 H new ATOM 0 HG13 ILE A 65 0.930 2.255 -0.732 1.00 15.52 H new ATOM 0 HG21 ILE A 65 -2.073 1.493 -2.911 1.00 40.11 H new ATOM 0 HG22 ILE A 65 -1.171 0.524 -4.101 1.00 40.11 H new ATOM 0 HG23 ILE A 65 -1.486 -0.130 -2.476 1.00 40.11 H new ATOM 0 HD11 ILE A 65 -1.075 3.248 0.253 1.00 34.04 H new ATOM 0 HD12 ILE A 65 -0.831 3.854 -1.402 1.00 34.04 H new ATOM 0 HD13 ILE A 65 -2.066 2.614 -1.082 1.00 34.04 H new ATOM 1075 N ARG A 66 1.282 -0.074 -5.098 1.00 12.33 N ATOM 1076 CA ARG A 66 1.176 -0.891 -6.324 1.00 22.42 C ATOM 1077 C ARG A 66 2.270 -1.982 -6.357 1.00 31.24 C ATOM 1078 O ARG A 66 2.000 -3.112 -6.762 1.00 51.40 O ATOM 1079 CB ARG A 66 1.224 0.040 -7.569 1.00 61.33 C ATOM 1080 CG ARG A 66 -0.045 0.926 -7.722 1.00 72.11 C ATOM 1081 CD ARG A 66 0.072 2.008 -8.820 1.00 2.01 C ATOM 1082 NE ARG A 66 1.005 3.091 -8.444 1.00 21.42 N ATOM 1083 CZ ARG A 66 0.939 4.342 -8.858 1.00 21.41 C ATOM 1084 NH1 ARG A 66 0.002 4.746 -9.661 1.00 3.41 N ATOM 1085 NH2 ARG A 66 1.821 5.194 -8.456 1.00 34.12 N ATOM 0 H ARG A 66 1.509 0.905 -5.274 1.00 12.33 H new ATOM 0 HA ARG A 66 0.221 -1.416 -6.334 1.00 22.42 H new ATOM 0 HB2 ARG A 66 2.102 0.683 -7.500 1.00 61.33 H new ATOM 0 HB3 ARG A 66 1.344 -0.569 -8.465 1.00 61.33 H new ATOM 0 HG2 ARG A 66 -0.898 0.285 -7.947 1.00 72.11 H new ATOM 0 HG3 ARG A 66 -0.254 1.412 -6.769 1.00 72.11 H new ATOM 0 HD2 ARG A 66 0.410 1.546 -9.748 1.00 2.01 H new ATOM 0 HD3 ARG A 66 -0.913 2.432 -9.016 1.00 2.01 H new ATOM 0 HE ARG A 66 1.766 2.850 -7.809 1.00 21.42 H new ATOM 0 HH11 ARG A 66 -0.707 4.090 -9.988 1.00 3.41 H new ATOM 0 HH12 ARG A 66 -0.025 5.719 -9.965 1.00 3.41 H new ATOM 0 HH21 ARG A 66 2.563 4.899 -7.822 1.00 34.12 H new ATOM 0 HH22 ARG A 66 1.776 6.163 -8.772 1.00 34.12 H new ATOM 1099 N ASP A 67 3.481 -1.642 -5.870 1.00 71.35 N ATOM 1100 CA ASP A 67 4.594 -2.613 -5.700 1.00 54.52 C ATOM 1101 C ASP A 67 4.234 -3.708 -4.650 1.00 33.23 C ATOM 1102 O ASP A 67 4.465 -4.892 -4.876 1.00 23.53 O ATOM 1103 CB ASP A 67 5.878 -1.847 -5.281 1.00 54.31 C ATOM 1104 CG ASP A 67 7.132 -2.737 -5.194 1.00 41.25 C ATOM 1105 OD1 ASP A 67 7.840 -2.882 -6.209 1.00 25.24 O ATOM 1106 OD2 ASP A 67 7.406 -3.314 -4.118 1.00 41.14 O ATOM 0 H ASP A 67 3.719 -0.693 -5.583 1.00 71.35 H new ATOM 0 HA ASP A 67 4.769 -3.121 -6.648 1.00 54.52 H new ATOM 0 HB2 ASP A 67 6.062 -1.046 -5.997 1.00 54.31 H new ATOM 0 HB3 ASP A 67 5.710 -1.377 -4.312 1.00 54.31 H new ATOM 1111 N ILE A 68 3.641 -3.278 -3.519 1.00 60.24 N ATOM 1112 CA ILE A 68 3.235 -4.163 -2.392 1.00 15.35 C ATOM 1113 C ILE A 68 2.182 -5.221 -2.845 1.00 43.53 C ATOM 1114 O ILE A 68 2.242 -6.388 -2.444 1.00 24.34 O ATOM 1115 CB ILE A 68 2.683 -3.286 -1.181 1.00 11.43 C ATOM 1116 CG1 ILE A 68 3.839 -2.479 -0.491 1.00 2.15 C ATOM 1117 CG2 ILE A 68 1.913 -4.123 -0.139 1.00 15.13 C ATOM 1118 CD1 ILE A 68 3.392 -1.538 0.631 1.00 44.30 C ATOM 0 H ILE A 68 3.425 -2.295 -3.353 1.00 60.24 H new ATOM 0 HA ILE A 68 4.115 -4.711 -2.054 1.00 15.35 H new ATOM 0 HB ILE A 68 1.973 -2.582 -1.614 1.00 11.43 H new ATOM 0 HG12 ILE A 68 4.563 -3.186 -0.085 1.00 2.15 H new ATOM 0 HG13 ILE A 68 4.357 -1.894 -1.251 1.00 2.15 H new ATOM 0 HG21 ILE A 68 1.561 -3.473 0.662 1.00 15.13 H new ATOM 0 HG22 ILE A 68 1.060 -4.604 -0.617 1.00 15.13 H new ATOM 0 HG23 ILE A 68 2.573 -4.885 0.276 1.00 15.13 H new ATOM 0 HD11 ILE A 68 4.261 -1.026 1.045 1.00 44.30 H new ATOM 0 HD12 ILE A 68 2.693 -0.802 0.232 1.00 44.30 H new ATOM 0 HD13 ILE A 68 2.903 -2.115 1.416 1.00 44.30 H new ATOM 1130 N ARG A 69 1.228 -4.792 -3.690 1.00 51.31 N ATOM 1131 CA ARG A 69 0.197 -5.687 -4.278 1.00 13.44 C ATOM 1132 C ARG A 69 0.782 -6.627 -5.372 1.00 61.15 C ATOM 1133 O ARG A 69 0.268 -7.733 -5.575 1.00 73.22 O ATOM 1134 CB ARG A 69 -0.998 -4.842 -4.805 1.00 74.44 C ATOM 1135 CG ARG A 69 -1.853 -4.231 -3.672 1.00 33.34 C ATOM 1136 CD ARG A 69 -3.045 -3.400 -4.172 1.00 11.33 C ATOM 1137 NE ARG A 69 -2.619 -2.212 -4.941 1.00 73.22 N ATOM 1138 CZ ARG A 69 -3.433 -1.293 -5.413 1.00 62.22 C ATOM 1139 NH1 ARG A 69 -4.707 -1.357 -5.203 1.00 51.33 N ATOM 1140 NH2 ARG A 69 -2.962 -0.297 -6.088 1.00 62.54 N ATOM 0 H ARG A 69 1.144 -3.820 -3.988 1.00 51.31 H new ATOM 0 HA ARG A 69 -0.170 -6.346 -3.491 1.00 13.44 H new ATOM 0 HB2 ARG A 69 -0.618 -4.040 -5.438 1.00 74.44 H new ATOM 0 HB3 ARG A 69 -1.631 -5.470 -5.432 1.00 74.44 H new ATOM 0 HG2 ARG A 69 -2.224 -5.035 -3.036 1.00 33.34 H new ATOM 0 HG3 ARG A 69 -1.218 -3.600 -3.050 1.00 33.34 H new ATOM 0 HD2 ARG A 69 -3.683 -4.024 -4.797 1.00 11.33 H new ATOM 0 HD3 ARG A 69 -3.646 -3.082 -3.320 1.00 11.33 H new ATOM 0 HE ARG A 69 -1.621 -2.096 -5.119 1.00 73.22 H new ATOM 0 HH11 ARG A 69 -5.097 -2.130 -4.663 1.00 51.33 H new ATOM 0 HH12 ARG A 69 -5.322 -0.635 -5.577 1.00 51.33 H new ATOM 0 HH21 ARG A 69 -1.958 -0.223 -6.255 1.00 62.54 H new ATOM 0 HH22 ARG A 69 -3.594 0.415 -6.454 1.00 62.54 H new ATOM 1154 N ARG A 70 1.846 -6.172 -6.073 1.00 21.25 N ATOM 1155 CA ARG A 70 2.630 -7.023 -7.016 1.00 60.45 C ATOM 1156 C ARG A 70 3.369 -8.161 -6.265 1.00 2.23 C ATOM 1157 O ARG A 70 3.532 -9.268 -6.792 1.00 41.41 O ATOM 1158 CB ARG A 70 3.659 -6.157 -7.800 1.00 44.23 C ATOM 1159 CG ARG A 70 3.041 -5.196 -8.843 1.00 21.23 C ATOM 1160 CD ARG A 70 4.068 -4.198 -9.404 1.00 61.44 C ATOM 1161 NE ARG A 70 3.484 -3.310 -10.420 1.00 53.32 N ATOM 1162 CZ ARG A 70 4.077 -2.255 -10.942 1.00 25.24 C ATOM 1163 NH1 ARG A 70 5.230 -1.843 -10.523 1.00 20.25 N ATOM 1164 NH2 ARG A 70 3.496 -1.611 -11.891 1.00 5.23 N ATOM 0 H ARG A 70 2.188 -5.213 -6.006 1.00 21.25 H new ATOM 0 HA ARG A 70 1.928 -7.473 -7.718 1.00 60.45 H new ATOM 0 HB2 ARG A 70 4.238 -5.571 -7.086 1.00 44.23 H new ATOM 0 HB3 ARG A 70 4.358 -6.821 -8.309 1.00 44.23 H new ATOM 0 HG2 ARG A 70 2.619 -5.777 -9.663 1.00 21.23 H new ATOM 0 HG3 ARG A 70 2.219 -4.647 -8.384 1.00 21.23 H new ATOM 0 HD2 ARG A 70 4.471 -3.598 -8.588 1.00 61.44 H new ATOM 0 HD3 ARG A 70 4.903 -4.746 -9.840 1.00 61.44 H new ATOM 0 HE ARG A 70 2.543 -3.528 -10.748 1.00 53.32 H new ATOM 0 HH11 ARG A 70 5.705 -2.338 -9.769 1.00 20.25 H new ATOM 0 HH12 ARG A 70 5.664 -1.023 -10.947 1.00 20.25 H new ATOM 0 HH21 ARG A 70 2.585 -1.918 -12.233 1.00 5.23 H new ATOM 0 HH22 ARG A 70 3.946 -0.793 -12.302 1.00 5.23 H new ATOM 1178 N ARG A 71 3.838 -7.852 -5.039 1.00 72.22 N ATOM 1179 CA ARG A 71 4.416 -8.852 -4.116 1.00 43.25 C ATOM 1180 C ARG A 71 3.344 -9.881 -3.690 1.00 52.52 C ATOM 1181 O ARG A 71 3.477 -11.085 -3.957 1.00 43.24 O ATOM 1182 CB ARG A 71 5.044 -8.143 -2.858 1.00 63.13 C ATOM 1183 CG ARG A 71 6.548 -7.745 -2.952 1.00 52.50 C ATOM 1184 CD ARG A 71 6.909 -6.810 -4.128 1.00 60.20 C ATOM 1185 NE ARG A 71 6.928 -7.506 -5.431 1.00 3.23 N ATOM 1186 CZ ARG A 71 7.171 -6.938 -6.590 1.00 61.30 C ATOM 1187 NH1 ARG A 71 7.387 -5.668 -6.683 1.00 43.12 N ATOM 1188 NH2 ARG A 71 7.182 -7.655 -7.669 1.00 31.21 N ATOM 0 H ARG A 71 3.827 -6.905 -4.661 1.00 72.22 H new ATOM 0 HA ARG A 71 5.210 -9.386 -4.638 1.00 43.25 H new ATOM 0 HB2 ARG A 71 4.467 -7.242 -2.653 1.00 63.13 H new ATOM 0 HB3 ARG A 71 4.921 -8.803 -1.999 1.00 63.13 H new ATOM 0 HG2 ARG A 71 6.838 -7.259 -2.020 1.00 52.50 H new ATOM 0 HG3 ARG A 71 7.143 -8.654 -3.036 1.00 52.50 H new ATOM 0 HD2 ARG A 71 6.190 -5.992 -4.169 1.00 60.20 H new ATOM 0 HD3 ARG A 71 7.887 -6.365 -3.945 1.00 60.20 H new ATOM 0 HE ARG A 71 6.737 -8.508 -5.430 1.00 3.23 H new ATOM 0 HH11 ARG A 71 7.371 -5.085 -5.846 1.00 43.12 H new ATOM 0 HH12 ARG A 71 7.574 -5.248 -7.593 1.00 43.12 H new ATOM 0 HH21 ARG A 71 7.002 -8.658 -7.617 1.00 31.21 H new ATOM 0 HH22 ARG A 71 7.370 -7.217 -8.571 1.00 31.21 H new