USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=4 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 49 ASN : amide:sc= 0.778 K(o=0.78,f=0) USER MOD Set 1.2: A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot -170:sc= -0.081 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.0071) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl 172:sc= 0 (180deg=-0.0916) USER MOD Single : A 53 SER OG : rot 87:sc= 0.885 USER MOD Single : A 54 LYS NZ :NH3+ 170:sc=-0.00981 (180deg=-0.122) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 58 ASN : amide:sc= -0.327 K(o=-0.33,f=-6.8!) USER MOD Single : A 61 GLN : amide:sc= -1.22 K(o=-1.2,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 4.747 -7.212 11.297 1.00 74.42 N ATOM 330 CA LEU A 21 5.481 -6.054 10.749 1.00 13.34 C ATOM 331 C LEU A 21 6.579 -6.558 9.784 1.00 11.42 C ATOM 332 O LEU A 21 7.746 -6.729 10.159 1.00 25.54 O ATOM 333 CB LEU A 21 6.057 -5.186 11.904 1.00 74.34 C ATOM 334 CG LEU A 21 5.045 -4.801 13.038 1.00 53.03 C ATOM 335 CD1 LEU A 21 5.703 -3.907 14.117 1.00 34.33 C ATOM 336 CD2 LEU A 21 3.767 -4.138 12.462 1.00 11.54 C ATOM 0 HA LEU A 21 4.805 -5.414 10.182 1.00 13.34 H new ATOM 0 HB2 LEU A 21 6.892 -5.722 12.355 1.00 74.34 H new ATOM 0 HB3 LEU A 21 6.461 -4.268 11.477 1.00 74.34 H new ATOM 0 HG LEU A 21 4.744 -5.729 13.524 1.00 53.03 H new ATOM 0 HD11 LEU A 21 4.969 -3.663 14.884 1.00 34.33 H new ATOM 0 HD12 LEU A 21 6.539 -4.440 14.571 1.00 34.33 H new ATOM 0 HD13 LEU A 21 6.066 -2.988 13.656 1.00 34.33 H new ATOM 0 HD21 LEU A 21 3.089 -3.885 13.277 1.00 11.54 H new ATOM 0 HD22 LEU A 21 4.039 -3.231 11.922 1.00 11.54 H new ATOM 0 HD23 LEU A 21 3.273 -4.831 11.781 1.00 11.54 H new ATOM 348 N THR A 22 6.147 -6.830 8.543 1.00 62.41 N ATOM 349 CA THR A 22 6.954 -7.500 7.500 1.00 73.34 C ATOM 350 C THR A 22 8.040 -6.579 6.906 1.00 35.34 C ATOM 351 O THR A 22 8.151 -5.408 7.259 1.00 1.14 O ATOM 352 CB THR A 22 6.018 -8.011 6.343 1.00 32.51 C ATOM 353 OG1 THR A 22 5.347 -6.900 5.716 1.00 3.43 O ATOM 354 CG2 THR A 22 4.967 -9.013 6.856 1.00 62.50 C ATOM 0 H THR A 22 5.209 -6.587 8.226 1.00 62.41 H new ATOM 0 HA THR A 22 7.459 -8.338 7.980 1.00 73.34 H new ATOM 0 HB THR A 22 6.652 -8.521 5.617 1.00 32.51 H new ATOM 0 HG1 THR A 22 4.654 -7.236 5.110 1.00 3.43 H new ATOM 0 HG21 THR A 22 4.341 -9.341 6.026 1.00 62.50 H new ATOM 0 HG22 THR A 22 5.470 -9.875 7.294 1.00 62.50 H new ATOM 0 HG23 THR A 22 4.345 -8.533 7.611 1.00 62.50 H new ATOM 362 N ARG A 23 8.840 -7.141 5.988 1.00 71.22 N ATOM 363 CA ARG A 23 9.852 -6.395 5.201 1.00 5.25 C ATOM 364 C ARG A 23 9.174 -5.300 4.333 1.00 4.13 C ATOM 365 O ARG A 23 9.743 -4.227 4.083 1.00 25.23 O ATOM 366 CB ARG A 23 10.632 -7.404 4.320 1.00 23.31 C ATOM 367 CG ARG A 23 11.918 -6.868 3.660 1.00 4.23 C ATOM 368 CD ARG A 23 12.576 -7.935 2.767 1.00 53.52 C ATOM 369 NE ARG A 23 13.878 -7.516 2.229 1.00 43.12 N ATOM 370 CZ ARG A 23 14.594 -8.208 1.370 1.00 14.44 C ATOM 371 NH1 ARG A 23 14.155 -9.324 0.870 1.00 13.51 N ATOM 372 NH2 ARG A 23 15.757 -7.787 1.014 1.00 33.43 N ATOM 0 H ARG A 23 8.808 -8.135 5.764 1.00 71.22 H new ATOM 0 HA ARG A 23 10.545 -5.889 5.873 1.00 5.25 H new ATOM 0 HB2 ARG A 23 10.894 -8.266 4.934 1.00 23.31 H new ATOM 0 HB3 ARG A 23 9.966 -7.762 3.535 1.00 23.31 H new ATOM 0 HG2 ARG A 23 11.683 -5.987 3.064 1.00 4.23 H new ATOM 0 HG3 ARG A 23 12.621 -6.553 4.431 1.00 4.23 H new ATOM 0 HD2 ARG A 23 12.706 -8.852 3.342 1.00 53.52 H new ATOM 0 HD3 ARG A 23 11.907 -8.170 1.939 1.00 53.52 H new ATOM 0 HE ARG A 23 14.254 -6.622 2.545 1.00 43.12 H new ATOM 0 HH11 ARG A 23 13.238 -9.679 1.142 1.00 13.51 H new ATOM 0 HH12 ARG A 23 14.727 -9.845 0.205 1.00 13.51 H new ATOM 0 HH21 ARG A 23 16.124 -6.916 1.398 1.00 33.43 H new ATOM 0 HH22 ARG A 23 16.312 -8.324 0.348 1.00 33.43 H new ATOM 386 N ASP A 24 7.937 -5.613 3.896 1.00 73.23 N ATOM 387 CA ASP A 24 7.036 -4.674 3.200 1.00 11.24 C ATOM 388 C ASP A 24 6.575 -3.530 4.141 1.00 13.03 C ATOM 389 O ASP A 24 6.378 -2.399 3.695 1.00 12.31 O ATOM 390 CB ASP A 24 5.812 -5.439 2.638 1.00 52.41 C ATOM 391 CG ASP A 24 6.202 -6.543 1.648 1.00 30.45 C ATOM 392 OD1 ASP A 24 6.597 -7.641 2.097 1.00 31.02 O ATOM 393 OD2 ASP A 24 6.157 -6.311 0.418 1.00 44.02 O ATOM 0 H ASP A 24 7.530 -6.540 4.019 1.00 73.23 H new ATOM 0 HA ASP A 24 7.586 -4.221 2.375 1.00 11.24 H new ATOM 0 HB2 ASP A 24 5.254 -5.879 3.464 1.00 52.41 H new ATOM 0 HB3 ASP A 24 5.145 -4.733 2.143 1.00 52.41 H new ATOM 398 N GLU A 25 6.397 -3.846 5.442 1.00 12.53 N ATOM 399 CA GLU A 25 6.030 -2.845 6.484 1.00 44.22 C ATOM 400 C GLU A 25 7.197 -1.856 6.714 1.00 5.42 C ATOM 401 O GLU A 25 6.989 -0.647 6.763 1.00 23.01 O ATOM 402 CB GLU A 25 5.626 -3.563 7.818 1.00 30.14 C ATOM 403 CG GLU A 25 4.775 -2.737 8.827 1.00 21.55 C ATOM 404 CD GLU A 25 5.549 -1.621 9.563 1.00 40.01 C ATOM 405 OE1 GLU A 25 6.613 -1.918 10.149 1.00 54.32 O ATOM 406 OE2 GLU A 25 5.097 -0.456 9.575 1.00 63.35 O ATOM 0 H GLU A 25 6.501 -4.794 5.804 1.00 12.53 H new ATOM 0 HA GLU A 25 5.168 -2.276 6.135 1.00 44.22 H new ATOM 0 HB2 GLU A 25 5.071 -4.466 7.564 1.00 30.14 H new ATOM 0 HB3 GLU A 25 6.538 -3.881 8.323 1.00 30.14 H new ATOM 0 HG2 GLU A 25 3.938 -2.288 8.293 1.00 21.55 H new ATOM 0 HG3 GLU A 25 4.353 -3.417 9.567 1.00 21.55 H new ATOM 413 N LEU A 26 8.417 -2.407 6.828 1.00 34.41 N ATOM 414 CA LEU A 26 9.661 -1.642 7.089 1.00 2.12 C ATOM 415 C LEU A 26 9.901 -0.527 6.031 1.00 24.13 C ATOM 416 O LEU A 26 10.203 0.622 6.378 1.00 64.21 O ATOM 417 CB LEU A 26 10.863 -2.623 7.136 1.00 11.24 C ATOM 418 CG LEU A 26 10.767 -3.756 8.216 1.00 45.53 C ATOM 419 CD1 LEU A 26 11.879 -4.807 8.041 1.00 52.32 C ATOM 420 CD2 LEU A 26 10.766 -3.180 9.653 1.00 64.21 C ATOM 0 H LEU A 26 8.576 -3.411 6.741 1.00 34.41 H new ATOM 0 HA LEU A 26 9.556 -1.140 8.051 1.00 2.12 H new ATOM 0 HB2 LEU A 26 10.969 -3.087 6.156 1.00 11.24 H new ATOM 0 HB3 LEU A 26 11.772 -2.049 7.317 1.00 11.24 H new ATOM 0 HG LEU A 26 9.812 -4.259 8.062 1.00 45.53 H new ATOM 0 HD11 LEU A 26 11.778 -5.575 8.808 1.00 52.32 H new ATOM 0 HD12 LEU A 26 11.795 -5.265 7.056 1.00 52.32 H new ATOM 0 HD13 LEU A 26 12.853 -4.326 8.135 1.00 52.32 H new ATOM 0 HD21 LEU A 26 10.698 -3.996 10.372 1.00 64.21 H new ATOM 0 HD22 LEU A 26 11.687 -2.623 9.822 1.00 64.21 H new ATOM 0 HD23 LEU A 26 9.912 -2.515 9.778 1.00 64.21 H new ATOM 432 N ARG A 27 9.736 -0.887 4.741 1.00 21.41 N ATOM 433 CA ARG A 27 9.902 0.063 3.603 1.00 44.20 C ATOM 434 C ARG A 27 8.719 1.079 3.519 1.00 14.40 C ATOM 435 O ARG A 27 8.917 2.246 3.169 1.00 2.32 O ATOM 436 CB ARG A 27 10.059 -0.725 2.258 1.00 72.14 C ATOM 437 CG ARG A 27 8.833 -1.580 1.859 1.00 40.42 C ATOM 438 CD ARG A 27 9.041 -2.434 0.593 1.00 61.01 C ATOM 439 NE ARG A 27 10.137 -3.407 0.760 1.00 62.13 N ATOM 440 CZ ARG A 27 10.051 -4.709 0.608 1.00 51.53 C ATOM 441 NH1 ARG A 27 8.928 -5.298 0.365 1.00 42.51 N ATOM 442 NH2 ARG A 27 11.113 -5.423 0.720 1.00 40.12 N ATOM 0 H ARG A 27 9.486 -1.833 4.453 1.00 21.41 H new ATOM 0 HA ARG A 27 10.809 0.641 3.779 1.00 44.20 H new ATOM 0 HB2 ARG A 27 10.263 -0.013 1.458 1.00 72.14 H new ATOM 0 HB3 ARG A 27 10.929 -1.377 2.335 1.00 72.14 H new ATOM 0 HG2 ARG A 27 8.578 -2.238 2.689 1.00 40.42 H new ATOM 0 HG3 ARG A 27 7.980 -0.920 1.702 1.00 40.42 H new ATOM 0 HD2 ARG A 27 8.118 -2.964 0.357 1.00 61.01 H new ATOM 0 HD3 ARG A 27 9.260 -1.782 -0.253 1.00 61.01 H new ATOM 0 HE ARG A 27 11.050 -3.033 1.018 1.00 62.13 H new ATOM 0 HH11 ARG A 27 8.071 -4.750 0.285 1.00 42.51 H new ATOM 0 HH12 ARG A 27 8.897 -6.311 0.253 1.00 42.51 H new ATOM 0 HH21 ARG A 27 12.008 -4.978 0.924 1.00 40.12 H new ATOM 0 HH22 ARG A 27 11.062 -6.435 0.605 1.00 40.12 H new ATOM 456 N ALA A 28 7.500 0.621 3.875 1.00 52.33 N ATOM 457 CA ALA A 28 6.259 1.437 3.792 1.00 70.44 C ATOM 458 C ALA A 28 6.199 2.541 4.877 1.00 5.41 C ATOM 459 O ALA A 28 5.777 3.673 4.606 1.00 1.21 O ATOM 460 CB ALA A 28 5.035 0.518 3.895 1.00 23.04 C ATOM 0 H ALA A 28 7.343 -0.323 4.228 1.00 52.33 H new ATOM 0 HA ALA A 28 6.262 1.946 2.828 1.00 70.44 H new ATOM 0 HB1 ALA A 28 4.125 1.115 3.834 1.00 23.04 H new ATOM 0 HB2 ALA A 28 5.051 -0.203 3.077 1.00 23.04 H new ATOM 0 HB3 ALA A 28 5.058 -0.013 4.847 1.00 23.04 H new ATOM 466 N LYS A 29 6.639 2.189 6.096 1.00 4.13 N ATOM 467 CA LYS A 29 6.637 3.102 7.263 1.00 43.20 C ATOM 468 C LYS A 29 7.589 4.309 7.049 1.00 15.13 C ATOM 469 O LYS A 29 7.383 5.378 7.625 1.00 40.42 O ATOM 470 CB LYS A 29 7.015 2.319 8.545 1.00 40.32 C ATOM 471 CG LYS A 29 6.844 3.116 9.864 1.00 71.12 C ATOM 472 CD LYS A 29 7.164 2.271 11.114 1.00 62.21 C ATOM 473 CE LYS A 29 6.960 3.037 12.430 1.00 53.14 C ATOM 474 NZ LYS A 29 7.245 2.189 13.617 1.00 73.40 N ATOM 0 H LYS A 29 7.008 1.262 6.306 1.00 4.13 H new ATOM 0 HA LYS A 29 5.631 3.505 7.378 1.00 43.20 H new ATOM 0 HB2 LYS A 29 6.403 1.419 8.598 1.00 40.32 H new ATOM 0 HB3 LYS A 29 8.053 1.995 8.464 1.00 40.32 H new ATOM 0 HG2 LYS A 29 7.496 3.989 9.844 1.00 71.12 H new ATOM 0 HG3 LYS A 29 5.820 3.484 9.931 1.00 71.12 H new ATOM 0 HD2 LYS A 29 6.532 1.383 11.116 1.00 62.21 H new ATOM 0 HD3 LYS A 29 8.197 1.927 11.058 1.00 62.21 H new ATOM 0 HE2 LYS A 29 7.610 3.912 12.445 1.00 53.14 H new ATOM 0 HE3 LYS A 29 5.934 3.401 12.482 1.00 53.14 H new ATOM 0 HZ1 LYS A 29 7.095 2.744 14.484 1.00 73.40 H new ATOM 0 HZ2 LYS A 29 6.608 1.367 13.618 1.00 73.40 H new ATOM 0 HZ3 LYS A 29 8.232 1.862 13.581 1.00 73.40 H new ATOM 488 N ALA A 30 8.611 4.122 6.188 1.00 73.01 N ATOM 489 CA ALA A 30 9.542 5.201 5.777 1.00 2.12 C ATOM 490 C ALA A 30 8.798 6.364 5.060 1.00 24.04 C ATOM 491 O ALA A 30 9.158 7.538 5.218 1.00 50.33 O ATOM 492 CB ALA A 30 10.646 4.620 4.877 1.00 34.35 C ATOM 0 H ALA A 30 8.816 3.221 5.757 1.00 73.01 H new ATOM 0 HA ALA A 30 9.996 5.619 6.676 1.00 2.12 H new ATOM 0 HB1 ALA A 30 11.328 5.416 4.577 1.00 34.35 H new ATOM 0 HB2 ALA A 30 11.198 3.857 5.425 1.00 34.35 H new ATOM 0 HB3 ALA A 30 10.196 4.175 3.990 1.00 34.35 H new ATOM 498 N LEU A 31 7.765 6.019 4.264 1.00 33.14 N ATOM 499 CA LEU A 31 6.878 7.008 3.582 1.00 63.53 C ATOM 500 C LEU A 31 5.636 7.375 4.441 1.00 4.31 C ATOM 501 O LEU A 31 4.863 8.263 4.057 1.00 0.43 O ATOM 502 CB LEU A 31 6.426 6.440 2.211 1.00 11.43 C ATOM 503 CG LEU A 31 7.570 6.158 1.181 1.00 50.01 C ATOM 504 CD1 LEU A 31 7.014 5.490 -0.089 1.00 3.50 C ATOM 505 CD2 LEU A 31 8.350 7.454 0.826 1.00 3.45 C ATOM 0 H LEU A 31 7.515 5.049 4.070 1.00 33.14 H new ATOM 0 HA LEU A 31 7.452 7.923 3.437 1.00 63.53 H new ATOM 0 HB2 LEU A 31 5.882 5.511 2.385 1.00 11.43 H new ATOM 0 HB3 LEU A 31 5.723 7.142 1.762 1.00 11.43 H new ATOM 0 HG LEU A 31 8.271 5.469 1.651 1.00 50.01 H new ATOM 0 HD11 LEU A 31 7.829 5.304 -0.789 1.00 3.50 H new ATOM 0 HD12 LEU A 31 6.540 4.545 0.175 1.00 3.50 H new ATOM 0 HD13 LEU A 31 6.279 6.147 -0.554 1.00 3.50 H new ATOM 0 HD21 LEU A 31 9.137 7.220 0.109 1.00 3.45 H new ATOM 0 HD22 LEU A 31 7.666 8.182 0.390 1.00 3.45 H new ATOM 0 HD23 LEU A 31 8.795 7.870 1.730 1.00 3.45 H new ATOM 517 N HIS A 32 5.481 6.684 5.593 1.00 0.53 N ATOM 518 CA HIS A 32 4.339 6.834 6.523 1.00 41.23 C ATOM 519 C HIS A 32 2.990 6.448 5.852 1.00 72.53 C ATOM 520 O HIS A 32 2.074 7.277 5.705 1.00 62.11 O ATOM 521 CB HIS A 32 4.301 8.252 7.185 1.00 52.11 C ATOM 522 CG HIS A 32 3.309 8.393 8.325 1.00 4.45 C ATOM 523 ND1 HIS A 32 2.468 9.472 8.472 1.00 33.15 N ATOM 524 CD2 HIS A 32 3.058 7.587 9.390 1.00 22.04 C ATOM 525 CE1 HIS A 32 1.744 9.326 9.561 1.00 2.12 C ATOM 526 NE2 HIS A 32 2.083 8.193 10.137 1.00 51.24 N ATOM 0 H HIS A 32 6.161 5.992 5.909 1.00 0.53 H new ATOM 0 HA HIS A 32 4.492 6.124 7.336 1.00 41.23 H new ATOM 0 HB2 HIS A 32 5.297 8.491 7.557 1.00 52.11 H new ATOM 0 HB3 HIS A 32 4.061 8.989 6.419 1.00 52.11 H new ATOM 0 HD2 HIS A 32 3.538 6.644 9.607 1.00 22.04 H new ATOM 0 HE1 HIS A 32 0.998 10.019 9.921 1.00 2.12 H new ATOM 0 HE2 HIS A 32 1.684 7.825 11.001 1.00 51.24 H new ATOM 535 N ILE A 33 2.913 5.185 5.393 1.00 63.35 N ATOM 536 CA ILE A 33 1.664 4.601 4.862 1.00 3.45 C ATOM 537 C ILE A 33 0.647 4.375 6.027 1.00 4.45 C ATOM 538 O ILE A 33 0.948 3.633 6.969 1.00 4.22 O ATOM 539 CB ILE A 33 1.936 3.238 4.110 1.00 60.30 C ATOM 540 CG1 ILE A 33 2.970 3.441 2.949 1.00 15.53 C ATOM 541 CG2 ILE A 33 0.622 2.609 3.580 1.00 51.24 C ATOM 542 CD1 ILE A 33 2.569 4.454 1.889 1.00 71.33 C ATOM 0 H ILE A 33 3.707 4.544 5.379 1.00 63.35 H new ATOM 0 HA ILE A 33 1.244 5.302 4.141 1.00 3.45 H new ATOM 0 HB ILE A 33 2.364 2.541 4.831 1.00 60.30 H new ATOM 0 HG12 ILE A 33 3.921 3.751 3.382 1.00 15.53 H new ATOM 0 HG13 ILE A 33 3.139 2.480 2.463 1.00 15.53 H new ATOM 0 HG21 ILE A 33 0.847 1.673 3.069 1.00 51.24 H new ATOM 0 HG22 ILE A 33 -0.051 2.413 4.415 1.00 51.24 H new ATOM 0 HG23 ILE A 33 0.144 3.298 2.883 1.00 51.24 H new ATOM 0 HD11 ILE A 33 3.352 4.519 1.133 1.00 71.33 H new ATOM 0 HD12 ILE A 33 1.637 4.140 1.420 1.00 71.33 H new ATOM 0 HD13 ILE A 33 2.431 5.431 2.353 1.00 71.33 H new ATOM 554 N PRO A 34 -0.580 5.002 5.970 1.00 75.05 N ATOM 555 CA PRO A 34 -1.550 5.000 7.107 1.00 4.32 C ATOM 556 C PRO A 34 -2.364 3.681 7.264 1.00 75.34 C ATOM 557 O PRO A 34 -3.273 3.610 8.098 1.00 31.12 O ATOM 558 CB PRO A 34 -2.463 6.202 6.746 1.00 44.24 C ATOM 559 CG PRO A 34 -2.502 6.191 5.249 1.00 14.30 C ATOM 560 CD PRO A 34 -1.115 5.770 4.804 1.00 53.41 C ATOM 0 HA PRO A 34 -1.050 5.077 8.073 1.00 4.32 H new ATOM 0 HB2 PRO A 34 -3.460 6.088 7.172 1.00 44.24 H new ATOM 0 HB3 PRO A 34 -2.058 7.139 7.128 1.00 44.24 H new ATOM 0 HG2 PRO A 34 -3.258 5.497 4.882 1.00 14.30 H new ATOM 0 HG3 PRO A 34 -2.757 7.176 4.857 1.00 14.30 H new ATOM 0 HD2 PRO A 34 -1.154 5.155 3.905 1.00 53.41 H new ATOM 0 HD3 PRO A 34 -0.490 6.633 4.574 1.00 53.41 H new ATOM 568 N PHE A 35 -2.031 2.646 6.468 1.00 62.22 N ATOM 569 CA PHE A 35 -2.698 1.318 6.528 1.00 50.41 C ATOM 570 C PHE A 35 -1.768 0.240 7.130 1.00 53.11 C ATOM 571 O PHE A 35 -0.535 0.396 7.107 1.00 53.43 O ATOM 572 CB PHE A 35 -3.116 0.854 5.107 1.00 4.33 C ATOM 573 CG PHE A 35 -4.088 1.792 4.398 1.00 61.21 C ATOM 574 CD1 PHE A 35 -5.334 2.087 4.960 1.00 42.54 C ATOM 575 CD2 PHE A 35 -3.761 2.372 3.175 1.00 1.43 C ATOM 576 CE1 PHE A 35 -6.217 2.937 4.320 1.00 12.24 C ATOM 577 CE2 PHE A 35 -4.642 3.215 2.539 1.00 44.13 C ATOM 578 CZ PHE A 35 -5.870 3.500 3.105 1.00 34.42 C ATOM 0 H PHE A 35 -1.294 2.701 5.765 1.00 62.22 H new ATOM 0 HA PHE A 35 -3.575 1.434 7.164 1.00 50.41 H new ATOM 0 HB2 PHE A 35 -2.221 0.748 4.495 1.00 4.33 H new ATOM 0 HB3 PHE A 35 -3.571 -0.134 5.180 1.00 4.33 H new ATOM 0 HD1 PHE A 35 -5.610 1.645 5.906 1.00 42.54 H new ATOM 0 HD2 PHE A 35 -2.805 2.157 2.721 1.00 1.43 H new ATOM 0 HE1 PHE A 35 -7.174 3.161 4.767 1.00 12.24 H new ATOM 0 HE2 PHE A 35 -4.372 3.657 1.591 1.00 44.13 H new ATOM 0 HZ PHE A 35 -6.558 4.161 2.599 1.00 34.42 H new ATOM 588 N PRO A 36 -2.343 -0.888 7.676 1.00 52.14 N ATOM 589 CA PRO A 36 -1.580 -2.139 7.862 1.00 15.44 C ATOM 590 C PRO A 36 -1.149 -2.688 6.478 1.00 13.22 C ATOM 591 O PRO A 36 -1.968 -2.791 5.559 1.00 34.42 O ATOM 592 CB PRO A 36 -2.575 -3.093 8.591 1.00 1.42 C ATOM 593 CG PRO A 36 -3.623 -2.176 9.163 1.00 24.51 C ATOM 594 CD PRO A 36 -3.736 -1.026 8.185 1.00 23.34 C ATOM 0 HA PRO A 36 -0.663 -2.015 8.439 1.00 15.44 H new ATOM 0 HB2 PRO A 36 -3.012 -3.814 7.900 1.00 1.42 H new ATOM 0 HB3 PRO A 36 -2.076 -3.664 9.374 1.00 1.42 H new ATOM 0 HG2 PRO A 36 -4.577 -2.692 9.273 1.00 24.51 H new ATOM 0 HG3 PRO A 36 -3.336 -1.822 10.153 1.00 24.51 H new ATOM 0 HD2 PRO A 36 -4.440 -1.245 7.382 1.00 23.34 H new ATOM 0 HD3 PRO A 36 -4.081 -0.114 8.671 1.00 23.34 H new ATOM 602 N VAL A 37 0.137 -2.985 6.319 1.00 5.14 N ATOM 603 CA VAL A 37 0.708 -3.358 5.009 1.00 23.34 C ATOM 604 C VAL A 37 0.233 -4.758 4.537 1.00 51.21 C ATOM 605 O VAL A 37 0.108 -5.004 3.328 1.00 71.21 O ATOM 606 CB VAL A 37 2.265 -3.250 5.057 1.00 31.14 C ATOM 607 CG1 VAL A 37 2.906 -3.611 3.705 1.00 52.45 C ATOM 608 CG2 VAL A 37 2.674 -1.826 5.510 1.00 12.23 C ATOM 0 H VAL A 37 0.815 -2.977 7.081 1.00 5.14 H new ATOM 0 HA VAL A 37 0.338 -2.653 4.264 1.00 23.34 H new ATOM 0 HB VAL A 37 2.637 -3.974 5.782 1.00 31.14 H new ATOM 0 HG11 VAL A 37 3.990 -3.523 3.781 1.00 52.45 H new ATOM 0 HG12 VAL A 37 2.643 -4.635 3.439 1.00 52.45 H new ATOM 0 HG13 VAL A 37 2.540 -2.931 2.936 1.00 52.45 H new ATOM 0 HG21 VAL A 37 3.761 -1.753 5.543 1.00 12.23 H new ATOM 0 HG22 VAL A 37 2.282 -1.093 4.805 1.00 12.23 H new ATOM 0 HG23 VAL A 37 2.267 -1.629 6.502 1.00 12.23 H new ATOM 618 N GLU A 38 -0.072 -5.653 5.496 1.00 13.43 N ATOM 619 CA GLU A 38 -0.714 -6.962 5.191 1.00 50.10 C ATOM 620 C GLU A 38 -2.140 -6.731 4.595 1.00 62.51 C ATOM 621 O GLU A 38 -2.568 -7.456 3.707 1.00 25.13 O ATOM 622 CB GLU A 38 -0.781 -7.862 6.476 1.00 2.03 C ATOM 623 CG GLU A 38 -0.571 -9.390 6.250 1.00 55.01 C ATOM 624 CD GLU A 38 -1.553 -10.050 5.253 1.00 62.35 C ATOM 625 OE1 GLU A 38 -2.696 -10.375 5.649 1.00 62.33 O ATOM 626 OE2 GLU A 38 -1.175 -10.260 4.077 1.00 63.13 O ATOM 0 H GLU A 38 0.112 -5.501 6.488 1.00 13.43 H new ATOM 0 HA GLU A 38 -0.109 -7.485 4.450 1.00 50.10 H new ATOM 0 HB2 GLU A 38 -0.027 -7.512 7.181 1.00 2.03 H new ATOM 0 HB3 GLU A 38 -1.752 -7.715 6.949 1.00 2.03 H new ATOM 0 HG2 GLU A 38 0.446 -9.552 5.894 1.00 55.01 H new ATOM 0 HG3 GLU A 38 -0.657 -9.898 7.210 1.00 55.01 H new ATOM 633 N LYS A 39 -2.841 -5.690 5.101 1.00 73.53 N ATOM 634 CA LYS A 39 -4.185 -5.282 4.610 1.00 32.54 C ATOM 635 C LYS A 39 -4.127 -4.784 3.139 1.00 51.12 C ATOM 636 O LYS A 39 -5.040 -5.039 2.366 1.00 12.44 O ATOM 637 CB LYS A 39 -4.766 -4.176 5.532 1.00 4.01 C ATOM 638 CG LYS A 39 -6.197 -3.700 5.187 1.00 71.24 C ATOM 639 CD LYS A 39 -7.264 -4.800 5.414 1.00 73.44 C ATOM 640 CE LYS A 39 -8.689 -4.320 5.076 1.00 70.30 C ATOM 641 NZ LYS A 39 -9.716 -5.367 5.340 1.00 61.43 N ATOM 0 H LYS A 39 -2.493 -5.107 5.862 1.00 73.53 H new ATOM 0 HA LYS A 39 -4.837 -6.155 4.636 1.00 32.54 H new ATOM 0 HB2 LYS A 39 -4.763 -4.545 6.558 1.00 4.01 H new ATOM 0 HB3 LYS A 39 -4.099 -3.315 5.501 1.00 4.01 H new ATOM 0 HG2 LYS A 39 -6.443 -2.830 5.796 1.00 71.24 H new ATOM 0 HG3 LYS A 39 -6.228 -3.379 4.146 1.00 71.24 H new ATOM 0 HD2 LYS A 39 -7.022 -5.668 4.801 1.00 73.44 H new ATOM 0 HD3 LYS A 39 -7.231 -5.125 6.454 1.00 73.44 H new ATOM 0 HE2 LYS A 39 -8.920 -3.432 5.664 1.00 70.30 H new ATOM 0 HE3 LYS A 39 -8.732 -4.028 4.027 1.00 70.30 H new ATOM 0 HZ1 LYS A 39 -10.658 -4.998 5.098 1.00 61.43 H new ATOM 0 HZ2 LYS A 39 -9.513 -6.206 4.760 1.00 61.43 H new ATOM 0 HZ3 LYS A 39 -9.695 -5.628 6.346 1.00 61.43 H new ATOM 655 N ILE A 40 -3.042 -4.066 2.781 1.00 32.41 N ATOM 656 CA ILE A 40 -2.752 -3.660 1.373 1.00 21.32 C ATOM 657 C ILE A 40 -2.642 -4.901 0.446 1.00 43.22 C ATOM 658 O ILE A 40 -3.263 -4.960 -0.619 1.00 42.00 O ATOM 659 CB ILE A 40 -1.421 -2.797 1.303 1.00 34.23 C ATOM 660 CG1 ILE A 40 -1.640 -1.406 1.994 1.00 63.43 C ATOM 661 CG2 ILE A 40 -0.888 -2.616 -0.152 1.00 12.52 C ATOM 662 CD1 ILE A 40 -0.421 -0.501 2.020 1.00 13.24 C ATOM 0 H ILE A 40 -2.340 -3.748 3.450 1.00 32.41 H new ATOM 0 HA ILE A 40 -3.583 -3.047 1.023 1.00 21.32 H new ATOM 0 HB ILE A 40 -0.654 -3.351 1.843 1.00 34.23 H new ATOM 0 HG12 ILE A 40 -2.449 -0.886 1.480 1.00 63.43 H new ATOM 0 HG13 ILE A 40 -1.970 -1.575 3.019 1.00 63.43 H new ATOM 0 HG21 ILE A 40 0.023 -2.018 -0.134 1.00 12.52 H new ATOM 0 HG22 ILE A 40 -0.672 -3.593 -0.585 1.00 12.52 H new ATOM 0 HG23 ILE A 40 -1.642 -2.111 -0.755 1.00 12.52 H new ATOM 0 HD11 ILE A 40 -0.673 0.435 2.518 1.00 13.24 H new ATOM 0 HD12 ILE A 40 0.386 -0.994 2.562 1.00 13.24 H new ATOM 0 HD13 ILE A 40 -0.100 -0.294 0.999 1.00 13.24 H new ATOM 674 N ILE A 41 -1.856 -5.891 0.897 1.00 43.25 N ATOM 675 CA ILE A 41 -1.662 -7.181 0.192 1.00 11.21 C ATOM 676 C ILE A 41 -2.978 -8.030 0.178 1.00 22.35 C ATOM 677 O ILE A 41 -3.193 -8.862 -0.712 1.00 3.24 O ATOM 678 CB ILE A 41 -0.488 -7.977 0.887 1.00 24.44 C ATOM 679 CG1 ILE A 41 0.820 -7.104 0.921 1.00 24.15 C ATOM 680 CG2 ILE A 41 -0.216 -9.347 0.200 1.00 72.10 C ATOM 681 CD1 ILE A 41 1.952 -7.680 1.756 1.00 12.00 C ATOM 0 H ILE A 41 -1.330 -5.824 1.768 1.00 43.25 H new ATOM 0 HA ILE A 41 -1.401 -6.979 -0.847 1.00 11.21 H new ATOM 0 HB ILE A 41 -0.801 -8.190 1.909 1.00 24.44 H new ATOM 0 HG12 ILE A 41 1.175 -6.967 -0.101 1.00 24.15 H new ATOM 0 HG13 ILE A 41 0.570 -6.116 1.307 1.00 24.15 H new ATOM 0 HG21 ILE A 41 0.599 -9.856 0.714 1.00 72.10 H new ATOM 0 HG22 ILE A 41 -1.115 -9.962 0.247 1.00 72.10 H new ATOM 0 HG23 ILE A 41 0.058 -9.183 -0.842 1.00 72.10 H new ATOM 0 HD11 ILE A 41 2.810 -7.009 1.718 1.00 12.00 H new ATOM 0 HD12 ILE A 41 1.622 -7.790 2.789 1.00 12.00 H new ATOM 0 HD13 ILE A 41 2.237 -8.655 1.360 1.00 12.00 H new ATOM 693 N ASN A 42 -3.853 -7.807 1.177 1.00 64.31 N ATOM 694 CA ASN A 42 -5.110 -8.579 1.354 1.00 64.01 C ATOM 695 C ASN A 42 -6.262 -8.027 0.466 1.00 51.15 C ATOM 696 O ASN A 42 -7.062 -8.799 -0.080 1.00 32.10 O ATOM 697 CB ASN A 42 -5.513 -8.562 2.857 1.00 43.53 C ATOM 698 CG ASN A 42 -6.421 -9.724 3.259 1.00 42.21 C ATOM 699 OD1 ASN A 42 -7.643 -9.642 3.189 1.00 12.23 O ATOM 700 ND2 ASN A 42 -5.829 -10.822 3.688 1.00 52.01 N ATOM 0 H ASN A 42 -3.714 -7.088 1.887 1.00 64.31 H new ATOM 0 HA ASN A 42 -4.932 -9.606 1.034 1.00 64.01 H new ATOM 0 HB2 ASN A 42 -4.610 -8.589 3.467 1.00 43.53 H new ATOM 0 HB3 ASN A 42 -6.019 -7.622 3.078 1.00 43.53 H new ATOM 0 HD21 ASN A 42 -6.389 -11.626 3.970 1.00 52.01 H new ATOM 0 HD22 ASN A 42 -4.811 -10.867 3.737 1.00 52.01 H new ATOM 707 N LEU A 43 -6.325 -6.691 0.335 1.00 5.45 N ATOM 708 CA LEU A 43 -7.361 -5.984 -0.453 1.00 3.03 C ATOM 709 C LEU A 43 -7.200 -6.242 -1.977 1.00 3.14 C ATOM 710 O LEU A 43 -6.145 -5.920 -2.538 1.00 22.21 O ATOM 711 CB LEU A 43 -7.314 -4.453 -0.152 1.00 22.31 C ATOM 712 CG LEU A 43 -7.936 -4.005 1.212 1.00 25.41 C ATOM 713 CD1 LEU A 43 -7.561 -2.542 1.567 1.00 70.53 C ATOM 714 CD2 LEU A 43 -9.476 -4.201 1.205 1.00 4.03 C ATOM 0 H LEU A 43 -5.654 -6.062 0.775 1.00 5.45 H new ATOM 0 HA LEU A 43 -8.333 -6.378 -0.155 1.00 3.03 H new ATOM 0 HB2 LEU A 43 -6.274 -4.129 -0.179 1.00 22.31 H new ATOM 0 HB3 LEU A 43 -7.832 -3.928 -0.955 1.00 22.31 H new ATOM 0 HG LEU A 43 -7.513 -4.642 1.989 1.00 25.41 H new ATOM 0 HD11 LEU A 43 -8.013 -2.272 2.521 1.00 70.53 H new ATOM 0 HD12 LEU A 43 -6.477 -2.452 1.641 1.00 70.53 H new ATOM 0 HD13 LEU A 43 -7.929 -1.873 0.789 1.00 70.53 H new ATOM 0 HD21 LEU A 43 -9.888 -3.883 2.163 1.00 4.03 H new ATOM 0 HD22 LEU A 43 -9.915 -3.604 0.406 1.00 4.03 H new ATOM 0 HD23 LEU A 43 -9.708 -5.253 1.042 1.00 4.03 H new ATOM 726 N PRO A 44 -8.243 -6.830 -2.671 1.00 4.23 N ATOM 727 CA PRO A 44 -8.225 -7.027 -4.149 1.00 61.45 C ATOM 728 C PRO A 44 -8.190 -5.678 -4.920 1.00 44.51 C ATOM 729 O PRO A 44 -8.480 -4.631 -4.342 1.00 1.23 O ATOM 730 CB PRO A 44 -9.532 -7.830 -4.437 1.00 53.54 C ATOM 731 CG PRO A 44 -9.944 -8.386 -3.104 1.00 44.30 C ATOM 732 CD PRO A 44 -9.505 -7.359 -2.084 1.00 14.34 C ATOM 0 HA PRO A 44 -7.331 -7.552 -4.485 1.00 61.45 H new ATOM 0 HB2 PRO A 44 -10.307 -7.187 -4.854 1.00 53.54 H new ATOM 0 HB3 PRO A 44 -9.356 -8.626 -5.160 1.00 53.54 H new ATOM 0 HG2 PRO A 44 -11.021 -8.545 -3.061 1.00 44.30 H new ATOM 0 HG3 PRO A 44 -9.471 -9.350 -2.918 1.00 44.30 H new ATOM 0 HD2 PRO A 44 -10.250 -6.574 -1.953 1.00 14.34 H new ATOM 0 HD3 PRO A 44 -9.339 -7.807 -1.104 1.00 14.34 H new ATOM 740 N VAL A 45 -7.875 -5.732 -6.229 1.00 62.40 N ATOM 741 CA VAL A 45 -7.562 -4.526 -7.046 1.00 43.41 C ATOM 742 C VAL A 45 -8.705 -3.474 -7.051 1.00 74.21 C ATOM 743 O VAL A 45 -8.463 -2.323 -6.717 1.00 22.44 O ATOM 744 CB VAL A 45 -7.158 -4.923 -8.522 1.00 24.23 C ATOM 745 CG1 VAL A 45 -6.914 -3.677 -9.425 1.00 20.14 C ATOM 746 CG2 VAL A 45 -5.914 -5.850 -8.504 1.00 14.12 C ATOM 0 H VAL A 45 -7.828 -6.605 -6.755 1.00 62.40 H new ATOM 0 HA VAL A 45 -6.707 -4.051 -6.565 1.00 43.41 H new ATOM 0 HB VAL A 45 -7.997 -5.464 -8.959 1.00 24.23 H new ATOM 0 HG11 VAL A 45 -6.639 -4.003 -10.428 1.00 20.14 H new ATOM 0 HG12 VAL A 45 -7.824 -3.079 -9.474 1.00 20.14 H new ATOM 0 HG13 VAL A 45 -6.107 -3.076 -9.005 1.00 20.14 H new ATOM 0 HG21 VAL A 45 -5.645 -6.117 -9.526 1.00 14.12 H new ATOM 0 HG22 VAL A 45 -5.080 -5.330 -8.033 1.00 14.12 H new ATOM 0 HG23 VAL A 45 -6.143 -6.755 -7.941 1.00 14.12 H new ATOM 756 N VAL A 46 -9.938 -3.883 -7.382 1.00 54.01 N ATOM 757 CA VAL A 46 -11.107 -2.955 -7.447 1.00 1.14 C ATOM 758 C VAL A 46 -11.394 -2.283 -6.072 1.00 42.43 C ATOM 759 O VAL A 46 -11.652 -1.079 -5.991 1.00 31.24 O ATOM 760 CB VAL A 46 -12.395 -3.714 -7.955 1.00 52.23 C ATOM 761 CG1 VAL A 46 -13.634 -2.783 -8.033 1.00 42.34 C ATOM 762 CG2 VAL A 46 -12.125 -4.397 -9.322 1.00 72.24 C ATOM 0 H VAL A 46 -10.165 -4.850 -7.612 1.00 54.01 H new ATOM 0 HA VAL A 46 -10.852 -2.168 -8.157 1.00 1.14 H new ATOM 0 HB VAL A 46 -12.625 -4.486 -7.221 1.00 52.23 H new ATOM 0 HG11 VAL A 46 -14.494 -3.351 -8.387 1.00 42.34 H new ATOM 0 HG12 VAL A 46 -13.848 -2.379 -7.044 1.00 42.34 H new ATOM 0 HG13 VAL A 46 -13.431 -1.964 -8.723 1.00 42.34 H new ATOM 0 HG21 VAL A 46 -13.025 -4.914 -9.654 1.00 72.24 H new ATOM 0 HG22 VAL A 46 -11.848 -3.642 -10.058 1.00 72.24 H new ATOM 0 HG23 VAL A 46 -11.312 -5.115 -9.216 1.00 72.24 H new ATOM 772 N ASP A 47 -11.296 -3.088 -5.006 1.00 14.11 N ATOM 773 CA ASP A 47 -11.568 -2.664 -3.610 1.00 20.23 C ATOM 774 C ASP A 47 -10.504 -1.671 -3.087 1.00 22.12 C ATOM 775 O ASP A 47 -10.818 -0.684 -2.409 1.00 52.44 O ATOM 776 CB ASP A 47 -11.612 -3.921 -2.703 1.00 71.24 C ATOM 777 CG ASP A 47 -12.580 -4.984 -3.244 1.00 24.34 C ATOM 778 OD1 ASP A 47 -12.190 -5.732 -4.164 1.00 1.15 O ATOM 779 OD2 ASP A 47 -13.742 -5.048 -2.792 1.00 73.23 O ATOM 0 H ASP A 47 -11.022 -4.068 -5.081 1.00 14.11 H new ATOM 0 HA ASP A 47 -12.527 -2.147 -3.590 1.00 20.23 H new ATOM 0 HB2 ASP A 47 -10.612 -4.347 -2.624 1.00 71.24 H new ATOM 0 HB3 ASP A 47 -11.915 -3.632 -1.697 1.00 71.24 H new ATOM 784 N PHE A 48 -9.243 -1.967 -3.416 1.00 32.41 N ATOM 785 CA PHE A 48 -8.079 -1.177 -2.987 1.00 51.52 C ATOM 786 C PHE A 48 -7.974 0.153 -3.778 1.00 42.42 C ATOM 787 O PHE A 48 -7.633 1.198 -3.212 1.00 52.11 O ATOM 788 CB PHE A 48 -6.797 -2.033 -3.144 1.00 74.32 C ATOM 789 CG PHE A 48 -5.566 -1.386 -2.522 1.00 32.31 C ATOM 790 CD1 PHE A 48 -5.507 -1.175 -1.142 1.00 5.33 C ATOM 791 CD2 PHE A 48 -4.498 -0.958 -3.301 1.00 74.32 C ATOM 792 CE1 PHE A 48 -4.420 -0.563 -0.560 1.00 52.11 C ATOM 793 CE2 PHE A 48 -3.416 -0.344 -2.719 1.00 23.40 C ATOM 794 CZ PHE A 48 -3.373 -0.148 -1.345 1.00 10.34 C ATOM 0 H PHE A 48 -8.996 -2.770 -3.994 1.00 32.41 H new ATOM 0 HA PHE A 48 -8.199 -0.907 -1.938 1.00 51.52 H new ATOM 0 HB2 PHE A 48 -6.960 -3.008 -2.684 1.00 74.32 H new ATOM 0 HB3 PHE A 48 -6.612 -2.208 -4.204 1.00 74.32 H new ATOM 0 HD1 PHE A 48 -6.329 -1.498 -0.521 1.00 5.33 H new ATOM 0 HD2 PHE A 48 -4.519 -1.109 -4.370 1.00 74.32 H new ATOM 0 HE1 PHE A 48 -4.391 -0.410 0.509 1.00 52.11 H new ATOM 0 HE2 PHE A 48 -2.593 -0.011 -3.334 1.00 23.40 H new ATOM 0 HZ PHE A 48 -2.516 0.331 -0.894 1.00 10.34 H new ATOM 804 N ASN A 49 -8.281 0.086 -5.090 1.00 60.11 N ATOM 805 CA ASN A 49 -8.346 1.269 -5.985 1.00 34.23 C ATOM 806 C ASN A 49 -9.484 2.228 -5.560 1.00 25.35 C ATOM 807 O ASN A 49 -9.334 3.447 -5.649 1.00 13.33 O ATOM 808 CB ASN A 49 -8.506 0.830 -7.473 1.00 40.04 C ATOM 809 CG ASN A 49 -7.161 0.551 -8.160 1.00 24.15 C ATOM 810 OD1 ASN A 49 -6.656 1.371 -8.917 1.00 72.34 O ATOM 811 ND2 ASN A 49 -6.537 -0.566 -7.862 1.00 55.24 N ATOM 0 H ASN A 49 -8.492 -0.792 -5.564 1.00 60.11 H new ATOM 0 HA ASN A 49 -7.405 1.812 -5.894 1.00 34.23 H new ATOM 0 HB2 ASN A 49 -9.124 -0.066 -7.518 1.00 40.04 H new ATOM 0 HB3 ASN A 49 -9.034 1.609 -8.022 1.00 40.04 H new ATOM 0 HD21 ASN A 49 -5.619 -0.760 -8.263 1.00 55.24 H new ATOM 0 HD22 ASN A 49 -6.970 -1.239 -7.230 1.00 55.24 H new ATOM 818 N GLU A 50 -10.603 1.649 -5.084 1.00 31.40 N ATOM 819 CA GLU A 50 -11.731 2.405 -4.490 1.00 22.25 C ATOM 820 C GLU A 50 -11.261 3.222 -3.257 1.00 13.15 C ATOM 821 O GLU A 50 -11.496 4.430 -3.172 1.00 44.51 O ATOM 822 CB GLU A 50 -12.863 1.405 -4.094 1.00 72.15 C ATOM 823 CG GLU A 50 -14.090 2.013 -3.367 1.00 1.53 C ATOM 824 CD GLU A 50 -14.799 3.128 -4.156 1.00 51.13 C ATOM 825 OE1 GLU A 50 -15.356 2.844 -5.240 1.00 21.34 O ATOM 826 OE2 GLU A 50 -14.806 4.293 -3.703 1.00 53.05 O ATOM 0 H GLU A 50 -10.754 0.640 -5.099 1.00 31.40 H new ATOM 0 HA GLU A 50 -12.115 3.113 -5.224 1.00 22.25 H new ATOM 0 HB2 GLU A 50 -13.213 0.908 -4.999 1.00 72.15 H new ATOM 0 HB3 GLU A 50 -12.432 0.636 -3.454 1.00 72.15 H new ATOM 0 HG2 GLU A 50 -14.806 1.218 -3.159 1.00 1.53 H new ATOM 0 HG3 GLU A 50 -13.768 2.412 -2.405 1.00 1.53 H new ATOM 833 N MET A 51 -10.525 2.546 -2.353 1.00 41.43 N ATOM 834 CA MET A 51 -10.022 3.142 -1.093 1.00 53.14 C ATOM 835 C MET A 51 -8.992 4.281 -1.344 1.00 71.41 C ATOM 836 O MET A 51 -9.086 5.358 -0.737 1.00 32.33 O ATOM 837 CB MET A 51 -9.400 2.031 -0.200 1.00 52.33 C ATOM 838 CG MET A 51 -8.873 2.515 1.163 1.00 14.14 C ATOM 839 SD MET A 51 -10.129 3.372 2.148 1.00 4.41 S ATOM 840 CE MET A 51 -11.326 2.069 2.456 1.00 43.23 C ATOM 0 H MET A 51 -10.260 1.568 -2.474 1.00 41.43 H new ATOM 0 HA MET A 51 -10.871 3.594 -0.579 1.00 53.14 H new ATOM 0 HB2 MET A 51 -10.151 1.259 -0.030 1.00 52.33 H new ATOM 0 HB3 MET A 51 -8.580 1.563 -0.745 1.00 52.33 H new ATOM 0 HG2 MET A 51 -8.500 1.659 1.726 1.00 14.14 H new ATOM 0 HG3 MET A 51 -8.028 3.184 1.002 1.00 14.14 H new ATOM 0 HE1 MET A 51 -12.074 2.422 3.166 1.00 43.23 H new ATOM 0 HE2 MET A 51 -11.815 1.795 1.521 1.00 43.23 H new ATOM 0 HE3 MET A 51 -10.817 1.198 2.868 1.00 43.23 H new ATOM 850 N MET A 52 -8.024 4.037 -2.255 1.00 70.11 N ATOM 851 CA MET A 52 -6.923 5.001 -2.538 1.00 20.13 C ATOM 852 C MET A 52 -7.403 6.226 -3.361 1.00 61.45 C ATOM 853 O MET A 52 -6.696 7.233 -3.445 1.00 54.31 O ATOM 854 CB MET A 52 -5.713 4.290 -3.229 1.00 34.52 C ATOM 855 CG MET A 52 -5.937 3.811 -4.675 1.00 50.04 C ATOM 856 SD MET A 52 -6.041 5.165 -5.873 1.00 52.21 S ATOM 857 CE MET A 52 -6.210 4.298 -7.429 1.00 62.44 C ATOM 0 H MET A 52 -7.978 3.182 -2.810 1.00 70.11 H new ATOM 0 HA MET A 52 -6.585 5.385 -1.575 1.00 20.13 H new ATOM 0 HB2 MET A 52 -4.865 4.975 -3.223 1.00 34.52 H new ATOM 0 HB3 MET A 52 -5.431 3.429 -2.623 1.00 34.52 H new ATOM 0 HG2 MET A 52 -5.122 3.146 -4.960 1.00 50.04 H new ATOM 0 HG3 MET A 52 -6.856 3.226 -4.718 1.00 50.04 H new ATOM 0 HE1 MET A 52 -6.283 5.020 -8.242 1.00 62.44 H new ATOM 0 HE2 MET A 52 -5.340 3.661 -7.587 1.00 62.44 H new ATOM 0 HE3 MET A 52 -7.110 3.684 -7.407 1.00 62.44 H new ATOM 867 N SER A 53 -8.596 6.112 -3.989 1.00 14.44 N ATOM 868 CA SER A 53 -9.247 7.238 -4.717 1.00 75.02 C ATOM 869 C SER A 53 -10.097 8.115 -3.766 1.00 71.23 C ATOM 870 O SER A 53 -10.361 9.286 -4.069 1.00 23.43 O ATOM 871 CB SER A 53 -10.124 6.701 -5.872 1.00 13.30 C ATOM 872 OG SER A 53 -9.350 6.015 -6.841 1.00 42.54 O ATOM 0 H SER A 53 -9.135 5.246 -4.009 1.00 14.44 H new ATOM 0 HA SER A 53 -8.456 7.862 -5.132 1.00 75.02 H new ATOM 0 HB2 SER A 53 -10.883 6.030 -5.471 1.00 13.30 H new ATOM 0 HB3 SER A 53 -10.650 7.530 -6.346 1.00 13.30 H new ATOM 0 HG SER A 53 -9.257 5.075 -6.580 1.00 42.54 H new ATOM 878 N LYS A 54 -10.535 7.533 -2.630 1.00 42.11 N ATOM 879 CA LYS A 54 -11.238 8.279 -1.558 1.00 75.41 C ATOM 880 C LYS A 54 -10.237 9.083 -0.691 1.00 4.15 C ATOM 881 O LYS A 54 -10.451 10.267 -0.404 1.00 41.13 O ATOM 882 CB LYS A 54 -12.052 7.305 -0.661 1.00 24.21 C ATOM 883 CG LYS A 54 -13.164 6.529 -1.401 1.00 55.41 C ATOM 884 CD LYS A 54 -13.994 5.615 -0.465 1.00 65.12 C ATOM 885 CE LYS A 54 -14.829 6.411 0.556 1.00 31.32 C ATOM 886 NZ LYS A 54 -15.833 7.290 -0.105 1.00 40.55 N ATOM 0 H LYS A 54 -10.414 6.541 -2.428 1.00 42.11 H new ATOM 0 HA LYS A 54 -11.923 8.981 -2.034 1.00 75.41 H new ATOM 0 HB2 LYS A 54 -11.366 6.589 -0.209 1.00 24.21 H new ATOM 0 HB3 LYS A 54 -12.503 7.872 0.153 1.00 24.21 H new ATOM 0 HG2 LYS A 54 -13.831 7.239 -1.890 1.00 55.41 H new ATOM 0 HG3 LYS A 54 -12.714 5.922 -2.186 1.00 55.41 H new ATOM 0 HD2 LYS A 54 -14.658 4.994 -1.066 1.00 65.12 H new ATOM 0 HD3 LYS A 54 -13.322 4.941 0.067 1.00 65.12 H new ATOM 0 HE2 LYS A 54 -15.339 5.718 1.225 1.00 31.32 H new ATOM 0 HE3 LYS A 54 -14.165 7.018 1.171 1.00 31.32 H new ATOM 0 HZ1 LYS A 54 -16.482 7.676 0.611 1.00 40.55 H new ATOM 0 HZ2 LYS A 54 -15.346 8.072 -0.588 1.00 40.55 H new ATOM 0 HZ3 LYS A 54 -16.374 6.737 -0.800 1.00 40.55 H new ATOM 900 N GLU A 55 -9.153 8.410 -0.272 1.00 0.23 N ATOM 901 CA GLU A 55 -8.072 9.017 0.541 1.00 34.40 C ATOM 902 C GLU A 55 -7.004 9.672 -0.365 1.00 74.35 C ATOM 903 O GLU A 55 -6.721 9.166 -1.453 1.00 1.01 O ATOM 904 CB GLU A 55 -7.413 7.930 1.431 1.00 30.02 C ATOM 905 CG GLU A 55 -8.372 7.198 2.388 1.00 52.31 C ATOM 906 CD GLU A 55 -9.087 8.141 3.375 1.00 72.43 C ATOM 907 OE1 GLU A 55 -8.427 8.643 4.314 1.00 0.13 O ATOM 908 OE2 GLU A 55 -10.308 8.376 3.228 1.00 3.10 O ATOM 0 H GLU A 55 -8.996 7.425 -0.486 1.00 0.23 H new ATOM 0 HA GLU A 55 -8.508 9.791 1.173 1.00 34.40 H new ATOM 0 HB2 GLU A 55 -6.937 7.193 0.784 1.00 30.02 H new ATOM 0 HB3 GLU A 55 -6.622 8.395 2.020 1.00 30.02 H new ATOM 0 HG2 GLU A 55 -9.119 6.662 1.803 1.00 52.31 H new ATOM 0 HG3 GLU A 55 -7.812 6.451 2.951 1.00 52.31 H new ATOM 915 N GLN A 56 -6.415 10.794 0.083 1.00 10.44 N ATOM 916 CA GLN A 56 -5.354 11.505 -0.673 1.00 61.32 C ATOM 917 C GLN A 56 -3.951 11.028 -0.233 1.00 50.23 C ATOM 918 O GLN A 56 -3.659 10.958 0.971 1.00 42.21 O ATOM 919 CB GLN A 56 -5.491 13.037 -0.475 1.00 73.43 C ATOM 920 CG GLN A 56 -4.479 13.887 -1.285 1.00 5.31 C ATOM 921 CD GLN A 56 -4.559 15.395 -1.000 1.00 72.32 C ATOM 922 OE1 GLN A 56 -5.610 15.932 -0.675 1.00 3.42 O ATOM 923 NE2 GLN A 56 -3.450 16.087 -1.131 1.00 73.52 N ATOM 0 H GLN A 56 -6.654 11.235 0.971 1.00 10.44 H new ATOM 0 HA GLN A 56 -5.474 11.275 -1.732 1.00 61.32 H new ATOM 0 HB2 GLN A 56 -6.501 13.337 -0.753 1.00 73.43 H new ATOM 0 HB3 GLN A 56 -5.371 13.265 0.584 1.00 73.43 H new ATOM 0 HG2 GLN A 56 -3.470 13.539 -1.065 1.00 5.31 H new ATOM 0 HG3 GLN A 56 -4.649 13.719 -2.349 1.00 5.31 H new ATOM 0 HE21 GLN A 56 -2.586 15.619 -1.403 1.00 73.52 H new ATOM 0 HE22 GLN A 56 -3.453 17.093 -0.961 1.00 73.52 H new ATOM 932 N PHE A 57 -3.094 10.685 -1.220 1.00 63.51 N ATOM 933 CA PHE A 57 -1.694 10.236 -0.975 1.00 2.00 C ATOM 934 C PHE A 57 -0.685 11.038 -1.820 1.00 44.45 C ATOM 935 O PHE A 57 -1.037 11.618 -2.854 1.00 74.03 O ATOM 936 CB PHE A 57 -1.525 8.728 -1.309 1.00 15.24 C ATOM 937 CG PHE A 57 -2.446 7.814 -0.508 1.00 43.32 C ATOM 938 CD1 PHE A 57 -2.114 7.423 0.786 1.00 60.35 C ATOM 939 CD2 PHE A 57 -3.653 7.371 -1.046 1.00 70.20 C ATOM 940 CE1 PHE A 57 -2.965 6.625 1.519 1.00 64.33 C ATOM 941 CE2 PHE A 57 -4.495 6.572 -0.312 1.00 2.42 C ATOM 942 CZ PHE A 57 -4.153 6.197 0.966 1.00 24.22 C ATOM 0 H PHE A 57 -3.347 10.709 -2.208 1.00 63.51 H new ATOM 0 HA PHE A 57 -1.493 10.406 0.083 1.00 2.00 H new ATOM 0 HB2 PHE A 57 -1.714 8.577 -2.372 1.00 15.24 H new ATOM 0 HB3 PHE A 57 -0.491 8.438 -1.125 1.00 15.24 H new ATOM 0 HD1 PHE A 57 -1.180 7.748 1.220 1.00 60.35 H new ATOM 0 HD2 PHE A 57 -3.929 7.659 -2.050 1.00 70.20 H new ATOM 0 HE1 PHE A 57 -2.702 6.335 2.526 1.00 64.33 H new ATOM 0 HE2 PHE A 57 -5.428 6.237 -0.740 1.00 2.42 H new ATOM 0 HZ PHE A 57 -4.817 5.566 1.538 1.00 24.22 H new ATOM 952 N ASN A 58 0.581 11.021 -1.375 1.00 22.14 N ATOM 953 CA ASN A 58 1.719 11.598 -2.125 1.00 44.42 C ATOM 954 C ASN A 58 2.147 10.611 -3.252 1.00 31.44 C ATOM 955 O ASN A 58 1.948 9.395 -3.120 1.00 24.11 O ATOM 956 CB ASN A 58 2.893 11.877 -1.136 1.00 12.05 C ATOM 957 CG ASN A 58 4.000 12.803 -1.669 1.00 33.13 C ATOM 958 OD1 ASN A 58 4.324 12.825 -2.849 1.00 4.41 O ATOM 959 ND2 ASN A 58 4.591 13.587 -0.795 1.00 55.04 N ATOM 0 H ASN A 58 0.850 10.607 -0.483 1.00 22.14 H new ATOM 0 HA ASN A 58 1.431 12.540 -2.591 1.00 44.42 H new ATOM 0 HB2 ASN A 58 2.483 12.316 -0.226 1.00 12.05 H new ATOM 0 HB3 ASN A 58 3.343 10.925 -0.856 1.00 12.05 H new ATOM 0 HD21 ASN A 58 5.329 14.223 -1.097 1.00 55.04 H new ATOM 0 HD22 ASN A 58 4.312 13.559 0.186 1.00 55.04 H new ATOM 966 N GLU A 59 2.755 11.151 -4.330 1.00 63.34 N ATOM 967 CA GLU A 59 3.244 10.364 -5.493 1.00 42.23 C ATOM 968 C GLU A 59 4.263 9.279 -5.052 1.00 11.04 C ATOM 969 O GLU A 59 4.213 8.134 -5.525 1.00 31.54 O ATOM 970 CB GLU A 59 3.896 11.313 -6.537 1.00 4.03 C ATOM 971 CG GLU A 59 4.404 10.607 -7.816 1.00 53.43 C ATOM 972 CD GLU A 59 5.245 11.527 -8.716 1.00 32.22 C ATOM 973 OE1 GLU A 59 6.481 11.592 -8.525 1.00 32.03 O ATOM 974 OE2 GLU A 59 4.683 12.199 -9.605 1.00 11.43 O ATOM 0 H GLU A 59 2.924 12.153 -4.423 1.00 63.34 H new ATOM 0 HA GLU A 59 2.390 9.860 -5.944 1.00 42.23 H new ATOM 0 HB2 GLU A 59 3.169 12.074 -6.821 1.00 4.03 H new ATOM 0 HB3 GLU A 59 4.732 11.831 -6.067 1.00 4.03 H new ATOM 0 HG2 GLU A 59 5.001 9.740 -7.533 1.00 53.43 H new ATOM 0 HG3 GLU A 59 3.550 10.235 -8.383 1.00 53.43 H new ATOM 981 N ALA A 60 5.168 9.668 -4.127 1.00 71.54 N ATOM 982 CA ALA A 60 6.164 8.758 -3.512 1.00 23.30 C ATOM 983 C ALA A 60 5.497 7.528 -2.848 1.00 3.24 C ATOM 984 O ALA A 60 5.929 6.390 -3.059 1.00 14.12 O ATOM 985 CB ALA A 60 7.017 9.530 -2.492 1.00 25.23 C ATOM 0 H ALA A 60 5.230 10.626 -3.783 1.00 71.54 H new ATOM 0 HA ALA A 60 6.807 8.380 -4.307 1.00 23.30 H new ATOM 0 HB1 ALA A 60 7.747 8.856 -2.044 1.00 25.23 H new ATOM 0 HB2 ALA A 60 7.537 10.345 -2.995 1.00 25.23 H new ATOM 0 HB3 ALA A 60 6.373 9.937 -1.713 1.00 25.23 H new ATOM 991 N GLN A 61 4.426 7.781 -2.063 1.00 64.32 N ATOM 992 CA GLN A 61 3.623 6.715 -1.417 1.00 65.34 C ATOM 993 C GLN A 61 3.019 5.747 -2.461 1.00 24.34 C ATOM 994 O GLN A 61 3.268 4.544 -2.396 1.00 74.24 O ATOM 995 CB GLN A 61 2.496 7.330 -0.536 1.00 11.43 C ATOM 996 CG GLN A 61 2.991 8.027 0.750 1.00 63.52 C ATOM 997 CD GLN A 61 1.850 8.547 1.634 1.00 21.11 C ATOM 998 OE1 GLN A 61 1.310 7.823 2.465 1.00 30.04 O ATOM 999 NE2 GLN A 61 1.495 9.812 1.484 1.00 34.35 N ATOM 0 H GLN A 61 4.094 8.724 -1.859 1.00 64.32 H new ATOM 0 HA GLN A 61 4.295 6.142 -0.778 1.00 65.34 H new ATOM 0 HB2 GLN A 61 1.940 8.052 -1.133 1.00 11.43 H new ATOM 0 HB3 GLN A 61 1.798 6.540 -0.259 1.00 11.43 H new ATOM 0 HG2 GLN A 61 3.597 7.327 1.325 1.00 63.52 H new ATOM 0 HG3 GLN A 61 3.639 8.860 0.477 1.00 63.52 H new ATOM 0 HE21 GLN A 61 1.960 10.393 0.786 1.00 34.35 H new ATOM 0 HE22 GLN A 61 0.757 10.207 2.066 1.00 34.35 H new ATOM 1008 N LEU A 62 2.285 6.310 -3.442 1.00 61.41 N ATOM 1009 CA LEU A 62 1.582 5.539 -4.501 1.00 74.45 C ATOM 1010 C LEU A 62 2.528 4.589 -5.281 1.00 31.20 C ATOM 1011 O LEU A 62 2.171 3.441 -5.557 1.00 40.14 O ATOM 1012 CB LEU A 62 0.891 6.520 -5.483 1.00 41.43 C ATOM 1013 CG LEU A 62 -0.247 7.403 -4.871 1.00 53.32 C ATOM 1014 CD1 LEU A 62 -0.717 8.496 -5.864 1.00 33.43 C ATOM 1015 CD2 LEU A 62 -1.436 6.524 -4.388 1.00 33.12 C ATOM 0 H LEU A 62 2.159 7.319 -3.527 1.00 61.41 H new ATOM 0 HA LEU A 62 0.840 4.911 -4.007 1.00 74.45 H new ATOM 0 HB2 LEU A 62 1.650 7.179 -5.904 1.00 41.43 H new ATOM 0 HB3 LEU A 62 0.474 5.945 -6.310 1.00 41.43 H new ATOM 0 HG LEU A 62 0.164 7.915 -4.001 1.00 53.32 H new ATOM 0 HD11 LEU A 62 -1.508 9.089 -5.405 1.00 33.43 H new ATOM 0 HD12 LEU A 62 0.123 9.144 -6.116 1.00 33.43 H new ATOM 0 HD13 LEU A 62 -1.097 8.025 -6.770 1.00 33.43 H new ATOM 0 HD21 LEU A 62 -2.213 7.162 -3.967 1.00 33.12 H new ATOM 0 HD22 LEU A 62 -1.842 5.966 -5.232 1.00 33.12 H new ATOM 0 HD23 LEU A 62 -1.087 5.827 -3.626 1.00 33.12 H new ATOM 1027 N ALA A 63 3.736 5.094 -5.599 1.00 61.00 N ATOM 1028 CA ALA A 63 4.768 4.349 -6.358 1.00 44.23 C ATOM 1029 C ALA A 63 5.210 3.040 -5.649 1.00 40.34 C ATOM 1030 O ALA A 63 5.281 1.972 -6.279 1.00 42.54 O ATOM 1031 CB ALA A 63 5.974 5.264 -6.624 1.00 63.31 C ATOM 0 H ALA A 63 4.028 6.035 -5.336 1.00 61.00 H new ATOM 0 HA ALA A 63 4.324 4.045 -7.306 1.00 44.23 H new ATOM 0 HB1 ALA A 63 6.732 4.714 -7.182 1.00 63.31 H new ATOM 0 HB2 ALA A 63 5.653 6.130 -7.204 1.00 63.31 H new ATOM 0 HB3 ALA A 63 6.394 5.598 -5.675 1.00 63.31 H new ATOM 1037 N LEU A 64 5.493 3.138 -4.335 1.00 64.41 N ATOM 1038 CA LEU A 64 5.899 1.969 -3.513 1.00 60.20 C ATOM 1039 C LEU A 64 4.713 1.003 -3.249 1.00 73.12 C ATOM 1040 O LEU A 64 4.892 -0.219 -3.233 1.00 20.24 O ATOM 1041 CB LEU A 64 6.513 2.434 -2.168 1.00 73.45 C ATOM 1042 CG LEU A 64 7.000 1.292 -1.210 1.00 73.43 C ATOM 1043 CD1 LEU A 64 8.083 0.392 -1.872 1.00 24.42 C ATOM 1044 CD2 LEU A 64 7.492 1.870 0.135 1.00 34.11 C ATOM 0 H LEU A 64 5.449 4.014 -3.815 1.00 64.41 H new ATOM 0 HA LEU A 64 6.652 1.424 -4.082 1.00 60.20 H new ATOM 0 HB2 LEU A 64 7.358 3.088 -2.383 1.00 73.45 H new ATOM 0 HB3 LEU A 64 5.772 3.034 -1.640 1.00 73.45 H new ATOM 0 HG LEU A 64 6.141 0.652 -1.008 1.00 73.43 H new ATOM 0 HD11 LEU A 64 8.389 -0.384 -1.171 1.00 24.42 H new ATOM 0 HD12 LEU A 64 7.672 -0.071 -2.769 1.00 24.42 H new ATOM 0 HD13 LEU A 64 8.947 1.000 -2.140 1.00 24.42 H new ATOM 0 HD21 LEU A 64 7.824 1.057 0.781 1.00 34.11 H new ATOM 0 HD22 LEU A 64 8.322 2.553 -0.044 1.00 34.11 H new ATOM 0 HD23 LEU A 64 6.677 2.408 0.619 1.00 34.11 H new ATOM 1056 N ILE A 65 3.513 1.574 -3.034 1.00 44.12 N ATOM 1057 CA ILE A 65 2.265 0.800 -2.800 1.00 63.14 C ATOM 1058 C ILE A 65 1.955 -0.177 -3.980 1.00 54.21 C ATOM 1059 O ILE A 65 1.544 -1.322 -3.749 1.00 51.00 O ATOM 1060 CB ILE A 65 1.045 1.776 -2.541 1.00 71.41 C ATOM 1061 CG1 ILE A 65 1.191 2.507 -1.160 1.00 14.14 C ATOM 1062 CG2 ILE A 65 -0.314 1.047 -2.622 1.00 74.42 C ATOM 1063 CD1 ILE A 65 0.101 3.534 -0.859 1.00 15.13 C ATOM 0 H ILE A 65 3.374 2.584 -3.016 1.00 44.12 H new ATOM 0 HA ILE A 65 2.419 0.191 -1.909 1.00 63.14 H new ATOM 0 HB ILE A 65 1.065 2.521 -3.336 1.00 71.41 H new ATOM 0 HG12 ILE A 65 1.194 1.759 -0.368 1.00 14.14 H new ATOM 0 HG13 ILE A 65 2.159 3.007 -1.130 1.00 14.14 H new ATOM 0 HG21 ILE A 65 -1.120 1.758 -2.437 1.00 74.42 H new ATOM 0 HG22 ILE A 65 -0.435 0.611 -3.614 1.00 74.42 H new ATOM 0 HG23 ILE A 65 -0.348 0.257 -1.872 1.00 74.42 H new ATOM 0 HD11 ILE A 65 0.286 3.986 0.115 1.00 15.13 H new ATOM 0 HD12 ILE A 65 0.109 4.309 -1.626 1.00 15.13 H new ATOM 0 HD13 ILE A 65 -0.871 3.041 -0.851 1.00 15.13 H new ATOM 1075 N ARG A 66 2.177 0.290 -5.229 1.00 11.32 N ATOM 1076 CA ARG A 66 2.001 -0.534 -6.460 1.00 61.25 C ATOM 1077 C ARG A 66 2.934 -1.771 -6.465 1.00 15.45 C ATOM 1078 O ARG A 66 2.565 -2.843 -6.962 1.00 55.12 O ATOM 1079 CB ARG A 66 2.258 0.341 -7.722 1.00 21.02 C ATOM 1080 CG ARG A 66 1.241 1.494 -7.915 1.00 74.40 C ATOM 1081 CD ARG A 66 1.605 2.433 -9.080 1.00 4.44 C ATOM 1082 NE ARG A 66 0.642 3.540 -9.202 1.00 23.01 N ATOM 1083 CZ ARG A 66 0.801 4.624 -9.931 1.00 31.51 C ATOM 1084 NH1 ARG A 66 1.882 4.829 -10.615 1.00 2.22 N ATOM 1085 NH2 ARG A 66 -0.136 5.511 -9.969 1.00 42.13 N ATOM 0 H ARG A 66 2.482 1.245 -5.419 1.00 11.32 H new ATOM 0 HA ARG A 66 0.975 -0.900 -6.473 1.00 61.25 H new ATOM 0 HB2 ARG A 66 3.261 0.763 -7.659 1.00 21.02 H new ATOM 0 HB3 ARG A 66 2.236 -0.299 -8.604 1.00 21.02 H new ATOM 0 HG2 ARG A 66 0.252 1.072 -8.092 1.00 74.40 H new ATOM 0 HG3 ARG A 66 1.180 2.074 -6.994 1.00 74.40 H new ATOM 0 HD2 ARG A 66 2.606 2.836 -8.925 1.00 4.44 H new ATOM 0 HD3 ARG A 66 1.630 1.867 -10.011 1.00 4.44 H new ATOM 0 HE ARG A 66 -0.227 3.459 -8.674 1.00 23.01 H new ATOM 0 HH11 ARG A 66 2.635 4.142 -10.597 1.00 2.22 H new ATOM 0 HH12 ARG A 66 1.980 5.678 -11.172 1.00 2.22 H new ATOM 0 HH21 ARG A 66 -0.994 5.370 -9.436 1.00 42.13 H new ATOM 0 HH22 ARG A 66 -0.018 6.353 -10.532 1.00 42.13 H new ATOM 1099 N ASP A 67 4.146 -1.601 -5.907 1.00 64.31 N ATOM 1100 CA ASP A 67 5.135 -2.694 -5.780 1.00 21.41 C ATOM 1101 C ASP A 67 4.692 -3.728 -4.711 1.00 41.12 C ATOM 1102 O ASP A 67 4.638 -4.927 -4.985 1.00 55.32 O ATOM 1103 CB ASP A 67 6.523 -2.097 -5.429 1.00 15.14 C ATOM 1104 CG ASP A 67 7.655 -3.140 -5.420 1.00 54.34 C ATOM 1105 OD1 ASP A 67 8.128 -3.519 -6.519 1.00 14.11 O ATOM 1106 OD2 ASP A 67 8.068 -3.592 -4.327 1.00 44.45 O ATOM 0 H ASP A 67 4.469 -0.709 -5.533 1.00 64.31 H new ATOM 0 HA ASP A 67 5.203 -3.219 -6.733 1.00 21.41 H new ATOM 0 HB2 ASP A 67 6.766 -1.315 -6.148 1.00 15.14 H new ATOM 0 HB3 ASP A 67 6.469 -1.623 -4.449 1.00 15.14 H new ATOM 1111 N ILE A 68 4.356 -3.226 -3.508 1.00 53.44 N ATOM 1112 CA ILE A 68 3.972 -4.057 -2.336 1.00 0.12 C ATOM 1113 C ILE A 68 2.683 -4.891 -2.592 1.00 10.32 C ATOM 1114 O ILE A 68 2.633 -6.076 -2.246 1.00 32.22 O ATOM 1115 CB ILE A 68 3.769 -3.153 -1.054 1.00 4.13 C ATOM 1116 CG1 ILE A 68 5.109 -2.438 -0.660 1.00 53.11 C ATOM 1117 CG2 ILE A 68 3.192 -3.957 0.149 1.00 62.33 C ATOM 1118 CD1 ILE A 68 5.013 -1.498 0.537 1.00 61.51 C ATOM 0 H ILE A 68 4.341 -2.225 -3.314 1.00 53.44 H new ATOM 0 HA ILE A 68 4.792 -4.755 -2.169 1.00 0.12 H new ATOM 0 HB ILE A 68 3.032 -2.392 -1.310 1.00 4.13 H new ATOM 0 HG12 ILE A 68 5.859 -3.199 -0.445 1.00 53.11 H new ATOM 0 HG13 ILE A 68 5.467 -1.871 -1.520 1.00 53.11 H new ATOM 0 HG21 ILE A 68 3.070 -3.294 1.005 1.00 62.33 H new ATOM 0 HG22 ILE A 68 2.224 -4.377 -0.125 1.00 62.33 H new ATOM 0 HG23 ILE A 68 3.877 -4.764 0.410 1.00 62.33 H new ATOM 0 HD11 ILE A 68 5.989 -1.053 0.730 1.00 61.51 H new ATOM 0 HD12 ILE A 68 4.291 -0.710 0.324 1.00 61.51 H new ATOM 0 HD13 ILE A 68 4.690 -2.058 1.414 1.00 61.51 H new ATOM 1130 N ARG A 69 1.659 -4.250 -3.188 1.00 70.42 N ATOM 1131 CA ARG A 69 0.333 -4.876 -3.440 1.00 11.03 C ATOM 1132 C ARG A 69 0.480 -6.103 -4.387 1.00 33.40 C ATOM 1133 O ARG A 69 0.004 -7.205 -4.074 1.00 61.34 O ATOM 1134 CB ARG A 69 -0.667 -3.807 -4.029 1.00 42.05 C ATOM 1135 CG ARG A 69 -2.147 -3.883 -3.525 1.00 13.51 C ATOM 1136 CD ARG A 69 -3.025 -5.014 -4.119 1.00 70.23 C ATOM 1137 NE ARG A 69 -2.637 -6.357 -3.652 1.00 52.03 N ATOM 1138 CZ ARG A 69 -3.335 -7.461 -3.808 1.00 34.24 C ATOM 1139 NH1 ARG A 69 -4.551 -7.436 -4.257 1.00 51.03 N ATOM 1140 NH2 ARG A 69 -2.806 -8.600 -3.475 1.00 52.14 N ATOM 0 H ARG A 69 1.721 -3.284 -3.511 1.00 70.42 H new ATOM 0 HA ARG A 69 -0.076 -5.236 -2.496 1.00 11.03 H new ATOM 0 HB2 ARG A 69 -0.279 -2.814 -3.800 1.00 42.05 H new ATOM 0 HB3 ARG A 69 -0.671 -3.905 -5.115 1.00 42.05 H new ATOM 0 HG2 ARG A 69 -2.132 -3.997 -2.441 1.00 13.51 H new ATOM 0 HG3 ARG A 69 -2.629 -2.929 -3.739 1.00 13.51 H new ATOM 0 HD2 ARG A 69 -4.067 -4.832 -3.856 1.00 70.23 H new ATOM 0 HD3 ARG A 69 -2.960 -4.982 -5.207 1.00 70.23 H new ATOM 0 HE ARG A 69 -1.746 -6.438 -3.163 1.00 52.03 H new ATOM 0 HH11 ARG A 69 -4.987 -6.546 -4.498 1.00 51.03 H new ATOM 0 HH12 ARG A 69 -5.071 -8.306 -4.369 1.00 51.03 H new ATOM 0 HH21 ARG A 69 -1.859 -8.631 -3.097 1.00 52.14 H new ATOM 0 HH22 ARG A 69 -3.338 -9.463 -3.591 1.00 52.14 H new ATOM 1154 N ARG A 70 1.170 -5.893 -5.522 1.00 72.41 N ATOM 1155 CA ARG A 70 1.369 -6.932 -6.555 1.00 62.11 C ATOM 1156 C ARG A 70 2.329 -8.052 -6.083 1.00 20.05 C ATOM 1157 O ARG A 70 2.038 -9.238 -6.260 1.00 10.53 O ATOM 1158 CB ARG A 70 1.901 -6.285 -7.862 1.00 11.33 C ATOM 1159 CG ARG A 70 0.885 -5.359 -8.570 1.00 22.40 C ATOM 1160 CD ARG A 70 1.436 -4.775 -9.886 1.00 35.35 C ATOM 1161 NE ARG A 70 1.835 -5.825 -10.840 1.00 2.11 N ATOM 1162 CZ ARG A 70 2.691 -5.673 -11.829 1.00 10.54 C ATOM 1163 NH1 ARG A 70 3.327 -4.553 -12.005 1.00 62.14 N ATOM 1164 NH2 ARG A 70 2.939 -6.665 -12.621 1.00 23.34 N ATOM 0 H ARG A 70 1.606 -5.000 -5.751 1.00 72.41 H new ATOM 0 HA ARG A 70 0.401 -7.396 -6.744 1.00 62.11 H new ATOM 0 HB2 ARG A 70 2.799 -5.711 -7.631 1.00 11.33 H new ATOM 0 HB3 ARG A 70 2.197 -7.076 -8.551 1.00 11.33 H new ATOM 0 HG2 ARG A 70 -0.027 -5.918 -8.778 1.00 22.40 H new ATOM 0 HG3 ARG A 70 0.613 -4.543 -7.900 1.00 22.40 H new ATOM 0 HD2 ARG A 70 0.678 -4.140 -10.344 1.00 35.35 H new ATOM 0 HD3 ARG A 70 2.295 -4.140 -9.668 1.00 35.35 H new ATOM 0 HE ARG A 70 1.413 -6.746 -10.725 1.00 2.11 H new ATOM 0 HH11 ARG A 70 3.167 -3.771 -11.370 1.00 62.14 H new ATOM 0 HH12 ARG A 70 3.986 -4.457 -12.778 1.00 62.14 H new ATOM 0 HH21 ARG A 70 2.472 -7.561 -12.478 1.00 23.34 H new ATOM 0 HH22 ARG A 70 3.601 -6.552 -13.388 1.00 23.34 H new ATOM 1178 N ARG A 71 3.467 -7.661 -5.474 1.00 45.31 N ATOM 1179 CA ARG A 71 4.525 -8.616 -5.057 1.00 11.25 C ATOM 1180 C ARG A 71 4.077 -9.386 -3.787 1.00 13.20 C ATOM 1181 O ARG A 71 3.932 -10.619 -3.808 1.00 15.41 O ATOM 1182 CB ARG A 71 5.883 -7.857 -4.852 1.00 12.22 C ATOM 1183 CG ARG A 71 7.185 -8.691 -5.111 1.00 41.43 C ATOM 1184 CD ARG A 71 7.887 -9.229 -3.846 1.00 22.24 C ATOM 1185 NE ARG A 71 7.081 -10.224 -3.119 1.00 33.22 N ATOM 1186 CZ ARG A 71 7.221 -11.529 -3.196 1.00 63.00 C ATOM 1187 NH1 ARG A 71 8.105 -12.076 -3.965 1.00 62.23 N ATOM 1188 NH2 ARG A 71 6.466 -12.283 -2.495 1.00 4.03 N ATOM 0 H ARG A 71 3.681 -6.688 -5.258 1.00 45.31 H new ATOM 0 HA ARG A 71 4.684 -9.356 -5.841 1.00 11.25 H new ATOM 0 HB2 ARG A 71 5.894 -6.990 -5.512 1.00 12.22 H new ATOM 0 HB3 ARG A 71 5.915 -7.480 -3.830 1.00 12.22 H new ATOM 0 HG2 ARG A 71 6.934 -9.535 -5.754 1.00 41.43 H new ATOM 0 HG3 ARG A 71 7.891 -8.070 -5.662 1.00 41.43 H new ATOM 0 HD2 ARG A 71 8.839 -9.678 -4.129 1.00 22.24 H new ATOM 0 HD3 ARG A 71 8.112 -8.396 -3.180 1.00 22.24 H new ATOM 0 HE ARG A 71 6.350 -9.870 -2.502 1.00 33.22 H new ATOM 0 HH11 ARG A 71 8.718 -11.492 -4.534 1.00 62.23 H new ATOM 0 HH12 ARG A 71 8.189 -13.092 -4.003 1.00 62.23 H new ATOM 0 HH21 ARG A 71 5.762 -11.872 -1.882 1.00 4.03 H new ATOM 0 HH22 ARG A 71 6.567 -13.297 -2.548 1.00 4.03 H new