USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.207 X(o=1.4,f=0.95) USER MOD Set 1.2: A 61 GLN : amide:sc= 1.15 K(o=1.4,f=-4!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.51 X(o=-0.81,f=-1.1) USER MOD Set 2.2: A 52 MET CE :methyl 135:sc= -0.304 (180deg=-1.71) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0198 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=-0.036) USER MOD Single : A 39 LYS NZ :NH3+ -104:sc= 0.357 (180deg=-0.0812) USER MOD Single : A 42 ASN : amide:sc= -0.0344 K(o=-0.034,f=-1.6!) USER MOD Single : A 51 MET CE :methyl 164:sc= -0.0994 (180deg=-0.416) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 7.631 -6.058 13.020 1.00 72.42 N ATOM 330 CA LEU A 21 7.921 -5.130 11.901 1.00 52.04 C ATOM 331 C LEU A 21 8.949 -5.741 10.910 1.00 51.54 C ATOM 332 O LEU A 21 10.164 -5.740 11.159 1.00 32.44 O ATOM 333 CB LEU A 21 8.386 -3.741 12.422 1.00 5.21 C ATOM 334 CG LEU A 21 7.338 -2.931 13.263 1.00 62.12 C ATOM 335 CD1 LEU A 21 7.852 -1.518 13.590 1.00 31.50 C ATOM 336 CD2 LEU A 21 5.961 -2.849 12.560 1.00 1.02 C ATOM 0 HA LEU A 21 6.992 -4.977 11.352 1.00 52.04 H new ATOM 0 HB2 LEU A 21 9.278 -3.885 13.032 1.00 5.21 H new ATOM 0 HB3 LEU A 21 8.680 -3.135 11.565 1.00 5.21 H new ATOM 0 HG LEU A 21 7.203 -3.477 14.197 1.00 62.12 H new ATOM 0 HD11 LEU A 21 7.102 -0.984 14.173 1.00 31.50 H new ATOM 0 HD12 LEU A 21 8.775 -1.591 14.165 1.00 31.50 H new ATOM 0 HD13 LEU A 21 8.044 -0.977 12.663 1.00 31.50 H new ATOM 0 HD21 LEU A 21 5.269 -2.279 13.180 1.00 1.02 H new ATOM 0 HD22 LEU A 21 6.074 -2.355 11.595 1.00 1.02 H new ATOM 0 HD23 LEU A 21 5.569 -3.855 12.409 1.00 1.02 H new ATOM 348 N THR A 22 8.419 -6.289 9.797 1.00 54.22 N ATOM 349 CA THR A 22 9.214 -6.889 8.695 1.00 60.22 C ATOM 350 C THR A 22 9.910 -5.813 7.824 1.00 53.32 C ATOM 351 O THR A 22 9.741 -4.613 8.049 1.00 21.12 O ATOM 352 CB THR A 22 8.306 -7.760 7.755 1.00 42.30 C ATOM 353 OG1 THR A 22 7.426 -6.902 7.008 1.00 75.15 O ATOM 354 CG2 THR A 22 7.474 -8.796 8.545 1.00 22.34 C ATOM 0 H THR A 22 7.413 -6.330 9.632 1.00 54.22 H new ATOM 0 HA THR A 22 9.972 -7.510 9.173 1.00 60.22 H new ATOM 0 HB THR A 22 8.961 -8.311 7.079 1.00 42.30 H new ATOM 0 HG1 THR A 22 6.861 -7.445 6.420 1.00 75.15 H new ATOM 0 HG21 THR A 22 6.862 -9.375 7.853 1.00 22.34 H new ATOM 0 HG22 THR A 22 8.144 -9.466 9.084 1.00 22.34 H new ATOM 0 HG23 THR A 22 6.829 -8.279 9.255 1.00 22.34 H new ATOM 362 N ARG A 23 10.680 -6.272 6.817 1.00 40.13 N ATOM 363 CA ARG A 23 11.282 -5.403 5.775 1.00 63.43 C ATOM 364 C ARG A 23 10.225 -4.488 5.107 1.00 40.40 C ATOM 365 O ARG A 23 10.464 -3.297 4.906 1.00 11.44 O ATOM 366 CB ARG A 23 11.977 -6.297 4.711 1.00 74.33 C ATOM 367 CG ARG A 23 13.250 -7.035 5.219 1.00 0.14 C ATOM 368 CD ARG A 23 14.569 -6.280 4.938 1.00 34.41 C ATOM 369 NE ARG A 23 14.508 -4.835 5.249 1.00 35.14 N ATOM 370 CZ ARG A 23 15.082 -4.233 6.267 1.00 45.12 C ATOM 371 NH1 ARG A 23 15.637 -4.900 7.226 1.00 52.33 N ATOM 372 NH2 ARG A 23 15.050 -2.943 6.330 1.00 0.45 N ATOM 0 H ARG A 23 10.905 -7.260 6.699 1.00 40.13 H new ATOM 0 HA ARG A 23 12.015 -4.750 6.249 1.00 63.43 H new ATOM 0 HB2 ARG A 23 11.261 -7.038 4.354 1.00 74.33 H new ATOM 0 HB3 ARG A 23 12.248 -5.678 3.856 1.00 74.33 H new ATOM 0 HG2 ARG A 23 13.159 -7.198 6.293 1.00 0.14 H new ATOM 0 HG3 ARG A 23 13.299 -8.018 4.750 1.00 0.14 H new ATOM 0 HD2 ARG A 23 15.369 -6.735 5.523 1.00 34.41 H new ATOM 0 HD3 ARG A 23 14.832 -6.405 3.888 1.00 34.41 H new ATOM 0 HE ARG A 23 13.968 -4.249 4.612 1.00 35.14 H new ATOM 0 HH11 ARG A 23 15.637 -5.920 7.205 1.00 52.33 H new ATOM 0 HH12 ARG A 23 16.075 -4.406 8.004 1.00 52.33 H new ATOM 0 HH21 ARG A 23 14.584 -2.408 5.597 1.00 0.45 H new ATOM 0 HH22 ARG A 23 15.490 -2.460 7.113 1.00 0.45 H new ATOM 386 N ASP A 24 9.042 -5.066 4.815 1.00 44.43 N ATOM 387 CA ASP A 24 7.913 -4.349 4.184 1.00 11.30 C ATOM 388 C ASP A 24 7.257 -3.326 5.141 1.00 13.34 C ATOM 389 O ASP A 24 6.869 -2.238 4.712 1.00 30.34 O ATOM 390 CB ASP A 24 6.867 -5.360 3.672 1.00 53.33 C ATOM 391 CG ASP A 24 7.429 -6.286 2.590 1.00 52.34 C ATOM 392 OD1 ASP A 24 7.434 -5.891 1.399 1.00 24.43 O ATOM 393 OD2 ASP A 24 7.909 -7.394 2.929 1.00 0.13 O ATOM 0 H ASP A 24 8.841 -6.047 5.011 1.00 44.43 H new ATOM 0 HA ASP A 24 8.313 -3.784 3.342 1.00 11.30 H new ATOM 0 HB2 ASP A 24 6.506 -5.960 4.508 1.00 53.33 H new ATOM 0 HB3 ASP A 24 6.008 -4.820 3.273 1.00 53.33 H new ATOM 398 N GLU A 25 7.141 -3.688 6.432 1.00 4.51 N ATOM 399 CA GLU A 25 6.634 -2.773 7.491 1.00 31.35 C ATOM 400 C GLU A 25 7.554 -1.529 7.651 1.00 65.42 C ATOM 401 O GLU A 25 7.087 -0.431 7.958 1.00 41.51 O ATOM 402 CB GLU A 25 6.518 -3.532 8.840 1.00 11.42 C ATOM 403 CG GLU A 25 5.493 -4.690 8.870 1.00 13.33 C ATOM 404 CD GLU A 25 4.031 -4.220 8.780 1.00 64.32 C ATOM 405 OE1 GLU A 25 3.499 -3.729 9.793 1.00 15.00 O ATOM 406 OE2 GLU A 25 3.401 -4.368 7.715 1.00 1.10 O ATOM 0 H GLU A 25 7.392 -4.615 6.777 1.00 4.51 H new ATOM 0 HA GLU A 25 5.646 -2.423 7.191 1.00 31.35 H new ATOM 0 HB2 GLU A 25 7.499 -3.932 9.097 1.00 11.42 H new ATOM 0 HB3 GLU A 25 6.253 -2.816 9.618 1.00 11.42 H new ATOM 0 HG2 GLU A 25 5.699 -5.369 8.042 1.00 13.33 H new ATOM 0 HG3 GLU A 25 5.627 -5.259 9.790 1.00 13.33 H new ATOM 413 N LEU A 26 8.864 -1.730 7.429 1.00 73.03 N ATOM 414 CA LEU A 26 9.871 -0.642 7.459 1.00 53.30 C ATOM 415 C LEU A 26 9.798 0.252 6.188 1.00 4.43 C ATOM 416 O LEU A 26 10.128 1.444 6.242 1.00 42.43 O ATOM 417 CB LEU A 26 11.286 -1.242 7.629 1.00 14.12 C ATOM 418 CG LEU A 26 11.515 -2.072 8.933 1.00 20.32 C ATOM 419 CD1 LEU A 26 12.922 -2.701 8.956 1.00 54.44 C ATOM 420 CD2 LEU A 26 11.259 -1.225 10.204 1.00 32.32 C ATOM 0 H LEU A 26 9.260 -2.647 7.224 1.00 73.03 H new ATOM 0 HA LEU A 26 9.649 -0.000 8.312 1.00 53.30 H new ATOM 0 HB2 LEU A 26 11.496 -1.881 6.771 1.00 14.12 H new ATOM 0 HB3 LEU A 26 12.011 -0.429 7.605 1.00 14.12 H new ATOM 0 HG LEU A 26 10.787 -2.883 8.932 1.00 20.32 H new ATOM 0 HD11 LEU A 26 13.050 -3.272 9.876 1.00 54.44 H new ATOM 0 HD12 LEU A 26 13.038 -3.364 8.098 1.00 54.44 H new ATOM 0 HD13 LEU A 26 13.674 -1.913 8.910 1.00 54.44 H new ATOM 0 HD21 LEU A 26 11.429 -1.837 11.090 1.00 32.32 H new ATOM 0 HD22 LEU A 26 11.939 -0.373 10.216 1.00 32.32 H new ATOM 0 HD23 LEU A 26 10.229 -0.868 10.202 1.00 32.32 H new ATOM 432 N ARG A 27 9.382 -0.347 5.051 1.00 52.03 N ATOM 433 CA ARG A 27 9.088 0.396 3.797 1.00 40.45 C ATOM 434 C ARG A 27 7.846 1.310 3.987 1.00 61.13 C ATOM 435 O ARG A 27 7.847 2.484 3.590 1.00 65.30 O ATOM 436 CB ARG A 27 8.828 -0.599 2.626 1.00 32.33 C ATOM 437 CG ARG A 27 10.011 -1.536 2.275 1.00 53.44 C ATOM 438 CD ARG A 27 9.619 -2.658 1.277 1.00 20.33 C ATOM 439 NE ARG A 27 9.266 -2.135 -0.053 1.00 32.32 N ATOM 440 CZ ARG A 27 8.584 -2.778 -0.987 1.00 42.44 C ATOM 441 NH1 ARG A 27 8.059 -3.949 -0.786 1.00 45.55 N ATOM 442 NH2 ARG A 27 8.403 -2.206 -2.131 1.00 22.05 N ATOM 0 H ARG A 27 9.240 -1.354 4.972 1.00 52.03 H new ATOM 0 HA ARG A 27 9.953 1.015 3.556 1.00 40.45 H new ATOM 0 HB2 ARG A 27 7.963 -1.213 2.878 1.00 32.33 H new ATOM 0 HB3 ARG A 27 8.564 -0.026 1.737 1.00 32.33 H new ATOM 0 HG2 ARG A 27 10.822 -0.945 1.849 1.00 53.44 H new ATOM 0 HG3 ARG A 27 10.393 -1.988 3.190 1.00 53.44 H new ATOM 0 HD2 ARG A 27 10.448 -3.358 1.179 1.00 20.33 H new ATOM 0 HD3 ARG A 27 8.775 -3.218 1.679 1.00 20.33 H new ATOM 0 HE ARG A 27 9.576 -1.189 -0.275 1.00 32.32 H new ATOM 0 HH11 ARG A 27 8.165 -4.407 0.119 1.00 45.55 H new ATOM 0 HH12 ARG A 27 7.540 -4.411 -1.533 1.00 45.55 H new ATOM 0 HH21 ARG A 27 8.783 -1.275 -2.301 1.00 22.05 H new ATOM 0 HH22 ARG A 27 7.880 -2.685 -2.864 1.00 22.05 H new ATOM 456 N ALA A 28 6.793 0.732 4.604 1.00 71.54 N ATOM 457 CA ALA A 28 5.534 1.440 4.935 1.00 11.42 C ATOM 458 C ALA A 28 5.786 2.601 5.920 1.00 11.42 C ATOM 459 O ALA A 28 5.236 3.689 5.762 1.00 35.24 O ATOM 460 CB ALA A 28 4.504 0.443 5.498 1.00 44.45 C ATOM 0 H ALA A 28 6.791 -0.247 4.889 1.00 71.54 H new ATOM 0 HA ALA A 28 5.131 1.877 4.021 1.00 11.42 H new ATOM 0 HB1 ALA A 28 3.581 0.971 5.739 1.00 44.45 H new ATOM 0 HB2 ALA A 28 4.298 -0.327 4.754 1.00 44.45 H new ATOM 0 HB3 ALA A 28 4.903 -0.022 6.400 1.00 44.45 H new ATOM 466 N LYS A 29 6.643 2.341 6.922 1.00 23.32 N ATOM 467 CA LYS A 29 7.121 3.354 7.889 1.00 63.15 C ATOM 468 C LYS A 29 7.802 4.558 7.179 1.00 15.50 C ATOM 469 O LYS A 29 7.482 5.721 7.465 1.00 10.12 O ATOM 470 CB LYS A 29 8.125 2.691 8.879 1.00 33.30 C ATOM 471 CG LYS A 29 8.961 3.681 9.723 1.00 32.11 C ATOM 472 CD LYS A 29 10.055 2.997 10.565 1.00 21.42 C ATOM 473 CE LYS A 29 11.013 4.018 11.201 1.00 65.14 C ATOM 474 NZ LYS A 29 11.992 3.387 12.123 1.00 50.51 N ATOM 0 H LYS A 29 7.030 1.412 7.088 1.00 23.32 H new ATOM 0 HA LYS A 29 6.256 3.737 8.430 1.00 63.15 H new ATOM 0 HB2 LYS A 29 7.570 2.040 9.554 1.00 33.30 H new ATOM 0 HB3 LYS A 29 8.805 2.056 8.312 1.00 33.30 H new ATOM 0 HG2 LYS A 29 9.426 4.409 9.059 1.00 32.11 H new ATOM 0 HG3 LYS A 29 8.295 4.234 10.386 1.00 32.11 H new ATOM 0 HD2 LYS A 29 9.589 2.399 11.349 1.00 21.42 H new ATOM 0 HD3 LYS A 29 10.622 2.311 9.935 1.00 21.42 H new ATOM 0 HE2 LYS A 29 11.550 4.546 10.413 1.00 65.14 H new ATOM 0 HE3 LYS A 29 10.434 4.763 11.747 1.00 65.14 H new ATOM 0 HZ1 LYS A 29 12.613 4.119 12.524 1.00 50.51 H new ATOM 0 HZ2 LYS A 29 11.484 2.905 12.892 1.00 50.51 H new ATOM 0 HZ3 LYS A 29 12.566 2.695 11.600 1.00 50.51 H new ATOM 488 N ALA A 30 8.732 4.244 6.259 1.00 63.32 N ATOM 489 CA ALA A 30 9.581 5.242 5.571 1.00 21.42 C ATOM 490 C ALA A 30 8.758 6.271 4.754 1.00 33.13 C ATOM 491 O ALA A 30 9.087 7.462 4.731 1.00 5.21 O ATOM 492 CB ALA A 30 10.597 4.522 4.667 1.00 22.22 C ATOM 0 H ALA A 30 8.919 3.285 5.968 1.00 63.32 H new ATOM 0 HA ALA A 30 10.107 5.808 6.340 1.00 21.42 H new ATOM 0 HB1 ALA A 30 11.221 5.259 4.162 1.00 22.22 H new ATOM 0 HB2 ALA A 30 11.225 3.870 5.273 1.00 22.22 H new ATOM 0 HB3 ALA A 30 10.066 3.926 3.925 1.00 22.22 H new ATOM 498 N LEU A 31 7.693 5.797 4.082 1.00 52.24 N ATOM 499 CA LEU A 31 6.807 6.662 3.258 1.00 21.12 C ATOM 500 C LEU A 31 5.508 7.068 4.011 1.00 62.40 C ATOM 501 O LEU A 31 4.717 7.863 3.496 1.00 40.05 O ATOM 502 CB LEU A 31 6.491 5.948 1.920 1.00 70.23 C ATOM 503 CG LEU A 31 7.747 5.587 1.054 1.00 42.03 C ATOM 504 CD1 LEU A 31 7.355 4.837 -0.227 1.00 20.11 C ATOM 505 CD2 LEU A 31 8.585 6.844 0.712 1.00 44.02 C ATOM 0 H LEU A 31 7.418 4.815 4.089 1.00 52.24 H new ATOM 0 HA LEU A 31 7.335 7.593 3.050 1.00 21.12 H new ATOM 0 HB2 LEU A 31 5.940 5.032 2.134 1.00 70.23 H new ATOM 0 HB3 LEU A 31 5.832 6.586 1.331 1.00 70.23 H new ATOM 0 HG LEU A 31 8.366 4.923 1.658 1.00 42.03 H new ATOM 0 HD11 LEU A 31 8.252 4.604 -0.801 1.00 20.11 H new ATOM 0 HD12 LEU A 31 6.842 3.912 0.036 1.00 20.11 H new ATOM 0 HD13 LEU A 31 6.693 5.462 -0.826 1.00 20.11 H new ATOM 0 HD21 LEU A 31 9.447 6.554 0.111 1.00 44.02 H new ATOM 0 HD22 LEU A 31 7.972 7.549 0.150 1.00 44.02 H new ATOM 0 HD23 LEU A 31 8.927 7.315 1.634 1.00 44.02 H new ATOM 517 N HIS A 32 5.326 6.528 5.238 1.00 23.02 N ATOM 518 CA HIS A 32 4.198 6.865 6.148 1.00 24.02 C ATOM 519 C HIS A 32 2.813 6.424 5.576 1.00 60.02 C ATOM 520 O HIS A 32 1.929 7.252 5.310 1.00 44.51 O ATOM 521 CB HIS A 32 4.227 8.370 6.565 1.00 44.32 C ATOM 522 CG HIS A 32 3.246 8.738 7.658 1.00 41.05 C ATOM 523 ND1 HIS A 32 2.082 9.443 7.425 1.00 15.32 N ATOM 524 CD2 HIS A 32 3.258 8.490 8.992 1.00 20.44 C ATOM 525 CE1 HIS A 32 1.432 9.612 8.553 1.00 11.23 C ATOM 526 NE2 HIS A 32 2.121 9.043 9.517 1.00 45.13 N ATOM 0 H HIS A 32 5.964 5.837 5.632 1.00 23.02 H new ATOM 0 HA HIS A 32 4.339 6.283 7.058 1.00 24.02 H new ATOM 0 HB2 HIS A 32 5.234 8.622 6.898 1.00 44.32 H new ATOM 0 HB3 HIS A 32 4.019 8.981 5.687 1.00 44.32 H new ATOM 0 HD2 HIS A 32 4.022 7.956 9.538 1.00 20.44 H new ATOM 0 HE1 HIS A 32 0.492 10.130 8.669 1.00 11.23 H new ATOM 0 HE2 HIS A 32 1.851 9.018 10.500 1.00 45.13 H new ATOM 535 N ILE A 33 2.664 5.108 5.350 1.00 53.35 N ATOM 536 CA ILE A 33 1.376 4.487 4.949 1.00 21.23 C ATOM 537 C ILE A 33 0.474 4.297 6.210 1.00 52.32 C ATOM 538 O ILE A 33 0.945 3.764 7.220 1.00 24.24 O ATOM 539 CB ILE A 33 1.619 3.089 4.248 1.00 51.41 C ATOM 540 CG1 ILE A 33 2.619 3.226 3.053 1.00 5.33 C ATOM 541 CG2 ILE A 33 0.292 2.425 3.781 1.00 15.55 C ATOM 542 CD1 ILE A 33 2.160 4.131 1.917 1.00 71.14 C ATOM 0 H ILE A 33 3.429 4.439 5.438 1.00 53.35 H new ATOM 0 HA ILE A 33 0.878 5.146 4.237 1.00 21.23 H new ATOM 0 HB ILE A 33 2.062 2.433 4.997 1.00 51.41 H new ATOM 0 HG12 ILE A 33 3.567 3.605 3.436 1.00 5.33 H new ATOM 0 HG13 ILE A 33 2.813 2.233 2.648 1.00 5.33 H new ATOM 0 HG21 ILE A 33 0.511 1.469 3.306 1.00 15.55 H new ATOM 0 HG22 ILE A 33 -0.356 2.263 4.642 1.00 15.55 H new ATOM 0 HG23 ILE A 33 -0.210 3.078 3.067 1.00 15.55 H new ATOM 0 HD11 ILE A 33 2.925 4.157 1.141 1.00 71.14 H new ATOM 0 HD12 ILE A 33 1.230 3.746 1.498 1.00 71.14 H new ATOM 0 HD13 ILE A 33 1.996 5.139 2.298 1.00 71.14 H new ATOM 554 N PRO A 34 -0.826 4.758 6.192 1.00 31.11 N ATOM 555 CA PRO A 34 -1.741 4.635 7.372 1.00 24.12 C ATOM 556 C PRO A 34 -2.225 3.179 7.651 1.00 24.20 C ATOM 557 O PRO A 34 -2.830 2.912 8.699 1.00 22.31 O ATOM 558 CB PRO A 34 -2.922 5.564 6.980 1.00 14.22 C ATOM 559 CG PRO A 34 -2.948 5.514 5.482 1.00 63.00 C ATOM 560 CD PRO A 34 -1.497 5.453 5.053 1.00 14.20 C ATOM 0 HA PRO A 34 -1.244 4.909 8.303 1.00 24.12 H new ATOM 0 HB2 PRO A 34 -3.862 5.214 7.406 1.00 14.22 H new ATOM 0 HB3 PRO A 34 -2.766 6.580 7.342 1.00 14.22 H new ATOM 0 HG2 PRO A 34 -3.499 4.642 5.128 1.00 63.00 H new ATOM 0 HG3 PRO A 34 -3.443 6.393 5.069 1.00 63.00 H new ATOM 0 HD2 PRO A 34 -1.377 4.902 4.120 1.00 14.20 H new ATOM 0 HD3 PRO A 34 -1.084 6.449 4.891 1.00 14.20 H new ATOM 568 N PHE A 35 -1.963 2.257 6.706 1.00 33.30 N ATOM 569 CA PHE A 35 -2.335 0.824 6.827 1.00 13.54 C ATOM 570 C PHE A 35 -1.082 -0.057 7.061 1.00 44.01 C ATOM 571 O PHE A 35 0.031 0.335 6.675 1.00 4.45 O ATOM 572 CB PHE A 35 -3.036 0.336 5.529 1.00 22.55 C ATOM 573 CG PHE A 35 -4.210 1.194 5.066 1.00 42.40 C ATOM 574 CD1 PHE A 35 -5.400 1.241 5.795 1.00 15.23 C ATOM 575 CD2 PHE A 35 -4.125 1.952 3.898 1.00 42.25 C ATOM 576 CE1 PHE A 35 -6.460 2.019 5.369 1.00 5.22 C ATOM 577 CE2 PHE A 35 -5.182 2.727 3.476 1.00 11.31 C ATOM 578 CZ PHE A 35 -6.354 2.762 4.209 1.00 33.00 C ATOM 0 H PHE A 35 -1.486 2.480 5.832 1.00 33.30 H new ATOM 0 HA PHE A 35 -3.010 0.733 7.678 1.00 13.54 H new ATOM 0 HB2 PHE A 35 -2.297 0.296 4.729 1.00 22.55 H new ATOM 0 HB3 PHE A 35 -3.390 -0.683 5.687 1.00 22.55 H new ATOM 0 HD1 PHE A 35 -5.493 0.663 6.702 1.00 15.23 H new ATOM 0 HD2 PHE A 35 -3.216 1.931 3.316 1.00 42.25 H new ATOM 0 HE1 PHE A 35 -7.374 2.046 5.944 1.00 5.22 H new ATOM 0 HE2 PHE A 35 -5.095 3.309 2.570 1.00 11.31 H new ATOM 0 HZ PHE A 35 -7.184 3.368 3.876 1.00 33.00 H new ATOM 588 N PRO A 36 -1.236 -1.274 7.683 1.00 32.11 N ATOM 589 CA PRO A 36 -0.188 -2.322 7.622 1.00 20.50 C ATOM 590 C PRO A 36 -0.116 -2.953 6.204 1.00 2.03 C ATOM 591 O PRO A 36 -1.115 -2.981 5.473 1.00 3.20 O ATOM 592 CB PRO A 36 -0.655 -3.353 8.682 1.00 64.44 C ATOM 593 CG PRO A 36 -2.142 -3.191 8.735 1.00 74.41 C ATOM 594 CD PRO A 36 -2.397 -1.711 8.511 1.00 12.42 C ATOM 0 HA PRO A 36 0.815 -1.942 7.818 1.00 20.50 H new ATOM 0 HB2 PRO A 36 -0.376 -4.368 8.398 1.00 64.44 H new ATOM 0 HB3 PRO A 36 -0.200 -3.158 9.653 1.00 64.44 H new ATOM 0 HG2 PRO A 36 -2.630 -3.794 7.969 1.00 74.41 H new ATOM 0 HG3 PRO A 36 -2.538 -3.516 9.697 1.00 74.41 H new ATOM 0 HD2 PRO A 36 -3.343 -1.541 7.996 1.00 12.42 H new ATOM 0 HD3 PRO A 36 -2.445 -1.166 9.454 1.00 12.42 H new ATOM 602 N VAL A 37 1.065 -3.474 5.844 1.00 73.21 N ATOM 603 CA VAL A 37 1.326 -4.090 4.514 1.00 52.41 C ATOM 604 C VAL A 37 0.362 -5.272 4.195 1.00 33.25 C ATOM 605 O VAL A 37 0.035 -5.513 3.027 1.00 14.12 O ATOM 606 CB VAL A 37 2.835 -4.525 4.442 1.00 2.04 C ATOM 607 CG1 VAL A 37 3.164 -5.434 3.240 1.00 41.42 C ATOM 608 CG2 VAL A 37 3.740 -3.273 4.450 1.00 54.42 C ATOM 0 H VAL A 37 1.876 -3.485 6.462 1.00 73.21 H new ATOM 0 HA VAL A 37 1.127 -3.345 3.743 1.00 52.41 H new ATOM 0 HB VAL A 37 3.030 -5.130 5.327 1.00 2.04 H new ATOM 0 HG11 VAL A 37 4.223 -5.692 3.258 1.00 41.42 H new ATOM 0 HG12 VAL A 37 2.568 -6.344 3.298 1.00 41.42 H new ATOM 0 HG13 VAL A 37 2.934 -4.909 2.313 1.00 41.42 H new ATOM 0 HG21 VAL A 37 4.785 -3.579 4.400 1.00 54.42 H new ATOM 0 HG22 VAL A 37 3.503 -2.648 3.589 1.00 54.42 H new ATOM 0 HG23 VAL A 37 3.571 -2.708 5.367 1.00 54.42 H new ATOM 618 N GLU A 38 -0.108 -5.968 5.251 1.00 21.22 N ATOM 619 CA GLU A 38 -1.162 -7.021 5.165 1.00 11.20 C ATOM 620 C GLU A 38 -2.400 -6.541 4.361 1.00 12.42 C ATOM 621 O GLU A 38 -2.908 -7.265 3.506 1.00 73.11 O ATOM 622 CB GLU A 38 -1.563 -7.452 6.614 1.00 64.45 C ATOM 623 CG GLU A 38 -2.785 -8.419 6.771 1.00 63.03 C ATOM 624 CD GLU A 38 -4.170 -7.718 6.752 1.00 63.22 C ATOM 625 OE1 GLU A 38 -4.378 -6.775 7.547 1.00 43.23 O ATOM 626 OE2 GLU A 38 -5.039 -8.081 5.924 1.00 54.41 O ATOM 0 H GLU A 38 0.232 -5.819 6.201 1.00 21.22 H new ATOM 0 HA GLU A 38 -0.759 -7.878 4.625 1.00 11.20 H new ATOM 0 HB2 GLU A 38 -0.697 -7.927 7.075 1.00 64.45 H new ATOM 0 HB3 GLU A 38 -1.773 -6.549 7.187 1.00 64.45 H new ATOM 0 HG2 GLU A 38 -2.754 -9.156 5.968 1.00 63.03 H new ATOM 0 HG3 GLU A 38 -2.682 -8.965 7.709 1.00 63.03 H new ATOM 633 N LYS A 39 -2.874 -5.311 4.667 1.00 41.31 N ATOM 634 CA LYS A 39 -4.035 -4.691 3.978 1.00 52.32 C ATOM 635 C LYS A 39 -3.794 -4.523 2.458 1.00 33.15 C ATOM 636 O LYS A 39 -4.685 -4.790 1.659 1.00 32.13 O ATOM 637 CB LYS A 39 -4.367 -3.315 4.623 1.00 33.35 C ATOM 638 CG LYS A 39 -4.914 -3.367 6.086 1.00 25.21 C ATOM 639 CD LYS A 39 -6.471 -3.324 6.182 1.00 40.33 C ATOM 640 CE LYS A 39 -7.187 -4.553 5.585 1.00 70.01 C ATOM 641 NZ LYS A 39 -6.870 -5.802 6.320 1.00 4.53 N ATOM 0 H LYS A 39 -2.467 -4.722 5.393 1.00 41.31 H new ATOM 0 HA LYS A 39 -4.883 -5.365 4.099 1.00 52.32 H new ATOM 0 HB2 LYS A 39 -3.465 -2.703 4.613 1.00 33.35 H new ATOM 0 HB3 LYS A 39 -5.102 -2.809 3.997 1.00 33.35 H new ATOM 0 HG2 LYS A 39 -4.555 -4.278 6.565 1.00 25.21 H new ATOM 0 HG3 LYS A 39 -4.502 -2.528 6.647 1.00 25.21 H new ATOM 0 HD2 LYS A 39 -6.754 -3.229 7.230 1.00 40.33 H new ATOM 0 HD3 LYS A 39 -6.828 -2.429 5.673 1.00 40.33 H new ATOM 0 HE2 LYS A 39 -8.264 -4.387 5.603 1.00 70.01 H new ATOM 0 HE3 LYS A 39 -6.899 -4.666 4.540 1.00 70.01 H new ATOM 0 HZ1 LYS A 39 -6.195 -6.368 5.768 1.00 4.53 H new ATOM 0 HZ2 LYS A 39 -6.451 -5.565 7.242 1.00 4.53 H new ATOM 0 HZ3 LYS A 39 -7.742 -6.349 6.466 1.00 4.53 H new ATOM 655 N ILE A 40 -2.572 -4.097 2.076 1.00 2.31 N ATOM 656 CA ILE A 40 -2.211 -3.862 0.656 1.00 41.20 C ATOM 657 C ILE A 40 -2.026 -5.221 -0.097 1.00 51.43 C ATOM 658 O ILE A 40 -2.283 -5.319 -1.297 1.00 32.42 O ATOM 659 CB ILE A 40 -0.931 -2.918 0.493 1.00 44.41 C ATOM 660 CG1 ILE A 40 -1.144 -1.480 1.115 1.00 64.33 C ATOM 661 CG2 ILE A 40 -0.550 -2.756 -1.002 1.00 4.01 C ATOM 662 CD1 ILE A 40 -1.238 -1.381 2.632 1.00 74.31 C ATOM 0 H ILE A 40 -1.814 -3.907 2.731 1.00 2.31 H new ATOM 0 HA ILE A 40 -3.041 -3.326 0.197 1.00 41.20 H new ATOM 0 HB ILE A 40 -0.127 -3.412 1.039 1.00 44.41 H new ATOM 0 HG12 ILE A 40 -0.321 -0.845 0.786 1.00 64.33 H new ATOM 0 HG13 ILE A 40 -2.058 -1.062 0.693 1.00 64.33 H new ATOM 0 HG21 ILE A 40 0.324 -2.110 -1.087 1.00 4.01 H new ATOM 0 HG22 ILE A 40 -0.321 -3.733 -1.427 1.00 4.01 H new ATOM 0 HG23 ILE A 40 -1.385 -2.311 -1.544 1.00 4.01 H new ATOM 0 HD11 ILE A 40 -1.383 -0.340 2.920 1.00 74.31 H new ATOM 0 HD12 ILE A 40 -2.081 -1.976 2.984 1.00 74.31 H new ATOM 0 HD13 ILE A 40 -0.317 -1.756 3.079 1.00 74.31 H new ATOM 674 N ILE A 41 -1.598 -6.267 0.639 1.00 72.21 N ATOM 675 CA ILE A 41 -1.472 -7.649 0.103 1.00 2.33 C ATOM 676 C ILE A 41 -2.866 -8.305 -0.140 1.00 64.53 C ATOM 677 O ILE A 41 -3.115 -8.893 -1.203 1.00 72.10 O ATOM 678 CB ILE A 41 -0.609 -8.556 1.082 1.00 31.55 C ATOM 679 CG1 ILE A 41 0.877 -8.066 1.117 1.00 23.44 C ATOM 680 CG2 ILE A 41 -0.680 -10.069 0.718 1.00 50.53 C ATOM 681 CD1 ILE A 41 1.783 -8.803 2.097 1.00 52.23 C ATOM 0 H ILE A 41 -1.329 -6.184 1.619 1.00 72.21 H new ATOM 0 HA ILE A 41 -0.962 -7.576 -0.858 1.00 2.33 H new ATOM 0 HB ILE A 41 -1.043 -8.451 2.076 1.00 31.55 H new ATOM 0 HG12 ILE A 41 1.298 -8.162 0.116 1.00 23.44 H new ATOM 0 HG13 ILE A 41 0.887 -7.005 1.366 1.00 23.44 H new ATOM 0 HG21 ILE A 41 -0.072 -10.641 1.419 1.00 50.53 H new ATOM 0 HG22 ILE A 41 -1.714 -10.408 0.773 1.00 50.53 H new ATOM 0 HG23 ILE A 41 -0.303 -10.218 -0.294 1.00 50.53 H new ATOM 0 HD11 ILE A 41 2.790 -8.388 2.044 1.00 52.23 H new ATOM 0 HD12 ILE A 41 1.395 -8.687 3.109 1.00 52.23 H new ATOM 0 HD13 ILE A 41 1.813 -9.862 1.839 1.00 52.23 H new ATOM 693 N ASN A 42 -3.766 -8.182 0.856 1.00 2.13 N ATOM 694 CA ASN A 42 -5.057 -8.915 0.886 1.00 35.34 C ATOM 695 C ASN A 42 -6.147 -8.213 0.027 1.00 25.31 C ATOM 696 O ASN A 42 -6.763 -8.855 -0.832 1.00 10.45 O ATOM 697 CB ASN A 42 -5.515 -9.090 2.362 1.00 31.44 C ATOM 698 CG ASN A 42 -6.639 -10.124 2.572 1.00 1.22 C ATOM 699 OD1 ASN A 42 -7.515 -10.311 1.741 1.00 65.15 O ATOM 700 ND2 ASN A 42 -6.605 -10.819 3.686 1.00 62.25 N ATOM 0 H ASN A 42 -3.623 -7.574 1.663 1.00 2.13 H new ATOM 0 HA ASN A 42 -4.908 -9.899 0.441 1.00 35.34 H new ATOM 0 HB2 ASN A 42 -4.654 -9.383 2.962 1.00 31.44 H new ATOM 0 HB3 ASN A 42 -5.853 -8.125 2.740 1.00 31.44 H new ATOM 0 HD21 ASN A 42 -7.317 -11.527 3.867 1.00 62.25 H new ATOM 0 HD22 ASN A 42 -5.867 -10.651 4.370 1.00 62.25 H new ATOM 707 N LEU A 43 -6.381 -6.906 0.274 1.00 13.23 N ATOM 708 CA LEU A 43 -7.407 -6.111 -0.463 1.00 72.41 C ATOM 709 C LEU A 43 -7.136 -6.108 -1.995 1.00 11.33 C ATOM 710 O LEU A 43 -6.069 -5.660 -2.417 1.00 1.22 O ATOM 711 CB LEU A 43 -7.451 -4.646 0.064 1.00 22.33 C ATOM 712 CG LEU A 43 -8.048 -4.443 1.493 1.00 4.54 C ATOM 713 CD1 LEU A 43 -7.839 -2.991 1.989 1.00 64.22 C ATOM 714 CD2 LEU A 43 -9.547 -4.832 1.522 1.00 5.34 C ATOM 0 H LEU A 43 -5.875 -6.371 0.980 1.00 13.23 H new ATOM 0 HA LEU A 43 -8.372 -6.586 -0.286 1.00 72.41 H new ATOM 0 HB2 LEU A 43 -6.436 -4.249 0.058 1.00 22.33 H new ATOM 0 HB3 LEU A 43 -8.032 -4.047 -0.638 1.00 22.33 H new ATOM 0 HG LEU A 43 -7.514 -5.103 2.176 1.00 4.54 H new ATOM 0 HD11 LEU A 43 -8.266 -2.882 2.986 1.00 64.22 H new ATOM 0 HD12 LEU A 43 -6.773 -2.769 2.024 1.00 64.22 H new ATOM 0 HD13 LEU A 43 -8.332 -2.299 1.306 1.00 64.22 H new ATOM 0 HD21 LEU A 43 -9.942 -4.683 2.527 1.00 5.34 H new ATOM 0 HD22 LEU A 43 -10.099 -4.208 0.819 1.00 5.34 H new ATOM 0 HD23 LEU A 43 -9.657 -5.879 1.241 1.00 5.34 H new ATOM 726 N PRO A 44 -8.092 -6.617 -2.847 1.00 62.04 N ATOM 727 CA PRO A 44 -7.905 -6.665 -4.324 1.00 50.22 C ATOM 728 C PRO A 44 -7.886 -5.252 -4.977 1.00 10.52 C ATOM 729 O PRO A 44 -8.382 -4.278 -4.396 1.00 23.14 O ATOM 730 CB PRO A 44 -9.100 -7.528 -4.806 1.00 54.24 C ATOM 731 CG PRO A 44 -10.153 -7.333 -3.760 1.00 31.40 C ATOM 732 CD PRO A 44 -9.412 -7.186 -2.447 1.00 23.02 C ATOM 0 HA PRO A 44 -6.940 -7.084 -4.609 1.00 50.22 H new ATOM 0 HB2 PRO A 44 -9.451 -7.207 -5.787 1.00 54.24 H new ATOM 0 HB3 PRO A 44 -8.820 -8.578 -4.896 1.00 54.24 H new ATOM 0 HG2 PRO A 44 -10.754 -6.448 -3.971 1.00 31.40 H new ATOM 0 HG3 PRO A 44 -10.836 -8.182 -3.730 1.00 31.40 H new ATOM 0 HD2 PRO A 44 -9.941 -6.525 -1.760 1.00 23.02 H new ATOM 0 HD3 PRO A 44 -9.298 -8.145 -1.942 1.00 23.02 H new ATOM 740 N VAL A 45 -7.325 -5.175 -6.204 1.00 4.44 N ATOM 741 CA VAL A 45 -7.028 -3.891 -6.895 1.00 75.34 C ATOM 742 C VAL A 45 -8.300 -3.041 -7.153 1.00 63.23 C ATOM 743 O VAL A 45 -8.259 -1.824 -7.005 1.00 34.30 O ATOM 744 CB VAL A 45 -6.260 -4.128 -8.259 1.00 60.03 C ATOM 745 CG1 VAL A 45 -5.850 -2.795 -8.943 1.00 24.54 C ATOM 746 CG2 VAL A 45 -5.023 -5.025 -8.041 1.00 2.25 C ATOM 0 H VAL A 45 -7.064 -5.998 -6.747 1.00 4.44 H new ATOM 0 HA VAL A 45 -6.384 -3.331 -6.216 1.00 75.34 H new ATOM 0 HB VAL A 45 -6.952 -4.637 -8.930 1.00 60.03 H new ATOM 0 HG11 VAL A 45 -5.326 -3.010 -9.875 1.00 24.54 H new ATOM 0 HG12 VAL A 45 -6.742 -2.206 -9.156 1.00 24.54 H new ATOM 0 HG13 VAL A 45 -5.193 -2.232 -8.279 1.00 24.54 H new ATOM 0 HG21 VAL A 45 -4.510 -5.175 -8.991 1.00 2.25 H new ATOM 0 HG22 VAL A 45 -4.345 -4.545 -7.335 1.00 2.25 H new ATOM 0 HG23 VAL A 45 -5.339 -5.989 -7.643 1.00 2.25 H new ATOM 756 N VAL A 46 -9.423 -3.694 -7.510 1.00 31.31 N ATOM 757 CA VAL A 46 -10.715 -3.000 -7.791 1.00 13.24 C ATOM 758 C VAL A 46 -11.203 -2.174 -6.562 1.00 52.53 C ATOM 759 O VAL A 46 -11.538 -0.985 -6.679 1.00 64.53 O ATOM 760 CB VAL A 46 -11.839 -4.023 -8.213 1.00 54.43 C ATOM 761 CG1 VAL A 46 -13.164 -3.307 -8.564 1.00 41.52 C ATOM 762 CG2 VAL A 46 -11.376 -4.915 -9.387 1.00 74.12 C ATOM 0 H VAL A 46 -9.471 -4.708 -7.614 1.00 31.31 H new ATOM 0 HA VAL A 46 -10.527 -2.318 -8.620 1.00 13.24 H new ATOM 0 HB VAL A 46 -12.025 -4.664 -7.351 1.00 54.43 H new ATOM 0 HG11 VAL A 46 -13.912 -4.046 -8.849 1.00 41.52 H new ATOM 0 HG12 VAL A 46 -13.517 -2.749 -7.697 1.00 41.52 H new ATOM 0 HG13 VAL A 46 -12.998 -2.620 -9.394 1.00 41.52 H new ATOM 0 HG21 VAL A 46 -12.173 -5.609 -9.653 1.00 74.12 H new ATOM 0 HG22 VAL A 46 -11.137 -4.289 -10.247 1.00 74.12 H new ATOM 0 HG23 VAL A 46 -10.491 -5.477 -9.090 1.00 74.12 H new ATOM 772 N ASP A 47 -11.216 -2.829 -5.387 1.00 34.35 N ATOM 773 CA ASP A 47 -11.566 -2.191 -4.098 1.00 22.42 C ATOM 774 C ASP A 47 -10.520 -1.136 -3.683 1.00 20.30 C ATOM 775 O ASP A 47 -10.861 -0.110 -3.080 1.00 21.35 O ATOM 776 CB ASP A 47 -11.679 -3.272 -2.991 1.00 44.10 C ATOM 777 CG ASP A 47 -12.801 -4.283 -3.258 1.00 31.35 C ATOM 778 OD1 ASP A 47 -12.676 -5.087 -4.208 1.00 73.31 O ATOM 779 OD2 ASP A 47 -13.817 -4.283 -2.520 1.00 2.04 O ATOM 0 H ASP A 47 -10.984 -3.819 -5.301 1.00 34.35 H new ATOM 0 HA ASP A 47 -12.524 -1.686 -4.225 1.00 22.42 H new ATOM 0 HB2 ASP A 47 -10.730 -3.802 -2.910 1.00 44.10 H new ATOM 0 HB3 ASP A 47 -11.855 -2.786 -2.032 1.00 44.10 H new ATOM 784 N PHE A 48 -9.244 -1.409 -4.013 1.00 3.14 N ATOM 785 CA PHE A 48 -8.121 -0.553 -3.602 1.00 54.13 C ATOM 786 C PHE A 48 -8.092 0.780 -4.395 1.00 0.05 C ATOM 787 O PHE A 48 -7.711 1.807 -3.847 1.00 70.01 O ATOM 788 CB PHE A 48 -6.757 -1.306 -3.709 1.00 62.31 C ATOM 789 CG PHE A 48 -5.803 -0.944 -2.562 1.00 3.13 C ATOM 790 CD1 PHE A 48 -5.291 0.352 -2.436 1.00 14.35 C ATOM 791 CD2 PHE A 48 -5.486 -1.872 -1.572 1.00 53.42 C ATOM 792 CE1 PHE A 48 -4.502 0.706 -1.362 1.00 64.13 C ATOM 793 CE2 PHE A 48 -4.682 -1.518 -0.502 1.00 42.13 C ATOM 794 CZ PHE A 48 -4.195 -0.227 -0.394 1.00 43.13 C ATOM 0 H PHE A 48 -8.967 -2.220 -4.566 1.00 3.14 H new ATOM 0 HA PHE A 48 -8.278 -0.303 -2.553 1.00 54.13 H new ATOM 0 HB2 PHE A 48 -6.936 -2.381 -3.705 1.00 62.31 H new ATOM 0 HB3 PHE A 48 -6.285 -1.065 -4.662 1.00 62.31 H new ATOM 0 HD1 PHE A 48 -5.518 1.088 -3.193 1.00 14.35 H new ATOM 0 HD2 PHE A 48 -5.872 -2.878 -1.640 1.00 53.42 H new ATOM 0 HE1 PHE A 48 -4.124 1.714 -1.279 1.00 64.13 H new ATOM 0 HE2 PHE A 48 -4.434 -2.252 0.251 1.00 42.13 H new ATOM 0 HZ PHE A 48 -3.576 0.049 0.447 1.00 43.13 H new ATOM 804 N ASN A 49 -8.493 0.749 -5.679 1.00 64.04 N ATOM 805 CA ASN A 49 -8.594 1.966 -6.527 1.00 61.52 C ATOM 806 C ASN A 49 -9.633 2.961 -5.949 1.00 1.11 C ATOM 807 O ASN A 49 -9.408 4.178 -5.928 1.00 3.22 O ATOM 808 CB ASN A 49 -8.970 1.587 -7.988 1.00 22.11 C ATOM 809 CG ASN A 49 -7.915 0.720 -8.684 1.00 24.21 C ATOM 810 OD1 ASN A 49 -6.721 0.838 -8.425 1.00 64.43 O ATOM 811 ND2 ASN A 49 -8.344 -0.169 -9.560 1.00 1.03 N ATOM 0 H ASN A 49 -8.756 -0.110 -6.161 1.00 64.04 H new ATOM 0 HA ASN A 49 -7.618 2.452 -6.532 1.00 61.52 H new ATOM 0 HB2 ASN A 49 -9.921 1.055 -7.984 1.00 22.11 H new ATOM 0 HB3 ASN A 49 -9.118 2.500 -8.565 1.00 22.11 H new ATOM 0 HD21 ASN A 49 -7.678 -0.776 -10.038 1.00 1.03 H new ATOM 0 HD22 ASN A 49 -9.341 -0.249 -9.759 1.00 1.03 H new ATOM 818 N GLU A 50 -10.757 2.407 -5.463 1.00 74.04 N ATOM 819 CA GLU A 50 -11.836 3.178 -4.802 1.00 24.51 C ATOM 820 C GLU A 50 -11.399 3.681 -3.394 1.00 23.42 C ATOM 821 O GLU A 50 -11.760 4.788 -2.980 1.00 1.12 O ATOM 822 CB GLU A 50 -13.102 2.285 -4.712 1.00 72.22 C ATOM 823 CG GLU A 50 -14.361 2.976 -4.140 1.00 32.13 C ATOM 824 CD GLU A 50 -15.617 2.090 -4.232 1.00 72.52 C ATOM 825 OE1 GLU A 50 -15.868 1.287 -3.306 1.00 71.21 O ATOM 826 OE2 GLU A 50 -16.349 2.174 -5.244 1.00 52.05 O ATOM 0 H GLU A 50 -10.948 1.406 -5.516 1.00 74.04 H new ATOM 0 HA GLU A 50 -12.058 4.066 -5.394 1.00 24.51 H new ATOM 0 HB2 GLU A 50 -13.334 1.912 -5.709 1.00 72.22 H new ATOM 0 HB3 GLU A 50 -12.871 1.418 -4.093 1.00 72.22 H new ATOM 0 HG2 GLU A 50 -14.183 3.241 -3.098 1.00 32.13 H new ATOM 0 HG3 GLU A 50 -14.537 3.906 -4.680 1.00 32.13 H new ATOM 833 N MET A 51 -10.605 2.856 -2.679 1.00 23.13 N ATOM 834 CA MET A 51 -10.032 3.210 -1.350 1.00 5.21 C ATOM 835 C MET A 51 -9.003 4.367 -1.473 1.00 24.32 C ATOM 836 O MET A 51 -8.946 5.266 -0.632 1.00 32.21 O ATOM 837 CB MET A 51 -9.359 1.954 -0.727 1.00 62.41 C ATOM 838 CG MET A 51 -8.861 2.129 0.718 1.00 3.51 C ATOM 839 SD MET A 51 -10.205 2.499 1.878 1.00 1.22 S ATOM 840 CE MET A 51 -11.246 1.037 1.733 1.00 13.14 C ATOM 0 H MET A 51 -10.340 1.925 -3.001 1.00 23.13 H new ATOM 0 HA MET A 51 -10.839 3.551 -0.702 1.00 5.21 H new ATOM 0 HB2 MET A 51 -10.071 1.129 -0.752 1.00 62.41 H new ATOM 0 HB3 MET A 51 -8.515 1.665 -1.353 1.00 62.41 H new ATOM 0 HG2 MET A 51 -8.352 1.219 1.036 1.00 3.51 H new ATOM 0 HG3 MET A 51 -8.126 2.933 0.750 1.00 3.51 H new ATOM 0 HE1 MET A 51 -11.936 0.997 2.576 1.00 13.14 H new ATOM 0 HE2 MET A 51 -11.812 1.084 0.803 1.00 13.14 H new ATOM 0 HE3 MET A 51 -10.621 0.144 1.733 1.00 13.14 H new ATOM 850 N MET A 52 -8.213 4.311 -2.553 1.00 15.35 N ATOM 851 CA MET A 52 -7.184 5.316 -2.906 1.00 23.33 C ATOM 852 C MET A 52 -7.833 6.640 -3.387 1.00 54.11 C ATOM 853 O MET A 52 -7.266 7.724 -3.215 1.00 65.32 O ATOM 854 CB MET A 52 -6.264 4.706 -4.003 1.00 71.24 C ATOM 855 CG MET A 52 -5.149 5.613 -4.546 1.00 3.22 C ATOM 856 SD MET A 52 -4.177 4.808 -5.848 1.00 22.23 S ATOM 857 CE MET A 52 -5.421 4.447 -7.092 1.00 72.32 C ATOM 0 H MET A 52 -8.268 3.548 -3.228 1.00 15.35 H new ATOM 0 HA MET A 52 -6.592 5.562 -2.025 1.00 23.33 H new ATOM 0 HB2 MET A 52 -5.804 3.804 -3.599 1.00 71.24 H new ATOM 0 HB3 MET A 52 -6.890 4.397 -4.840 1.00 71.24 H new ATOM 0 HG2 MET A 52 -5.589 6.530 -4.939 1.00 3.22 H new ATOM 0 HG3 MET A 52 -4.488 5.901 -3.728 1.00 3.22 H new ATOM 0 HE1 MET A 52 -5.042 4.722 -8.076 1.00 72.32 H new ATOM 0 HE2 MET A 52 -5.652 3.382 -7.077 1.00 72.32 H new ATOM 0 HE3 MET A 52 -6.325 5.018 -6.879 1.00 72.32 H new ATOM 867 N SER A 53 -9.031 6.526 -3.993 1.00 65.05 N ATOM 868 CA SER A 53 -9.866 7.692 -4.387 1.00 3.14 C ATOM 869 C SER A 53 -10.327 8.512 -3.152 1.00 34.20 C ATOM 870 O SER A 53 -10.483 9.738 -3.227 1.00 21.02 O ATOM 871 CB SER A 53 -11.097 7.203 -5.190 1.00 23.51 C ATOM 872 OG SER A 53 -11.955 8.274 -5.563 1.00 31.44 O ATOM 0 H SER A 53 -9.452 5.627 -4.226 1.00 65.05 H new ATOM 0 HA SER A 53 -9.257 8.348 -5.009 1.00 3.14 H new ATOM 0 HB2 SER A 53 -10.760 6.681 -6.085 1.00 23.51 H new ATOM 0 HB3 SER A 53 -11.656 6.483 -4.592 1.00 23.51 H new ATOM 0 HG SER A 53 -12.717 7.922 -6.069 1.00 31.44 H new ATOM 878 N LYS A 54 -10.545 7.812 -2.018 1.00 43.13 N ATOM 879 CA LYS A 54 -10.945 8.441 -0.736 1.00 64.33 C ATOM 880 C LYS A 54 -9.714 8.997 0.015 1.00 54.35 C ATOM 881 O LYS A 54 -9.672 10.177 0.389 1.00 4.22 O ATOM 882 CB LYS A 54 -11.680 7.401 0.152 1.00 14.42 C ATOM 883 CG LYS A 54 -12.912 6.759 -0.519 1.00 60.42 C ATOM 884 CD LYS A 54 -13.665 5.787 0.412 1.00 43.40 C ATOM 885 CE LYS A 54 -14.870 5.129 -0.281 1.00 32.05 C ATOM 886 NZ LYS A 54 -15.674 4.299 0.653 1.00 11.10 N ATOM 0 H LYS A 54 -10.450 6.798 -1.963 1.00 43.13 H new ATOM 0 HA LYS A 54 -11.616 9.272 -0.955 1.00 64.33 H new ATOM 0 HB2 LYS A 54 -10.978 6.614 0.428 1.00 14.42 H new ATOM 0 HB3 LYS A 54 -11.994 7.886 1.076 1.00 14.42 H new ATOM 0 HG2 LYS A 54 -13.594 7.545 -0.843 1.00 60.42 H new ATOM 0 HG3 LYS A 54 -12.594 6.224 -1.414 1.00 60.42 H new ATOM 0 HD2 LYS A 54 -12.979 5.013 0.756 1.00 43.40 H new ATOM 0 HD3 LYS A 54 -14.007 6.326 1.296 1.00 43.40 H new ATOM 0 HE2 LYS A 54 -15.504 5.903 -0.714 1.00 32.05 H new ATOM 0 HE3 LYS A 54 -14.518 4.508 -1.104 1.00 32.05 H new ATOM 0 HZ1 LYS A 54 -16.474 3.876 0.141 1.00 11.10 H new ATOM 0 HZ2 LYS A 54 -15.078 3.544 1.047 1.00 11.10 H new ATOM 0 HZ3 LYS A 54 -16.033 4.895 1.426 1.00 11.10 H new ATOM 900 N GLU A 55 -8.714 8.122 0.228 1.00 32.53 N ATOM 901 CA GLU A 55 -7.444 8.485 0.882 1.00 15.11 C ATOM 902 C GLU A 55 -6.391 8.810 -0.197 1.00 54.23 C ATOM 903 O GLU A 55 -5.660 7.925 -0.655 1.00 3.01 O ATOM 904 CB GLU A 55 -6.963 7.333 1.818 1.00 4.43 C ATOM 905 CG GLU A 55 -8.004 6.862 2.862 1.00 70.42 C ATOM 906 CD GLU A 55 -8.578 8.010 3.717 1.00 41.24 C ATOM 907 OE1 GLU A 55 -7.838 8.561 4.564 1.00 4.41 O ATOM 908 OE2 GLU A 55 -9.768 8.368 3.548 1.00 63.31 O ATOM 0 H GLU A 55 -8.764 7.142 -0.049 1.00 32.53 H new ATOM 0 HA GLU A 55 -7.592 9.369 1.503 1.00 15.11 H new ATOM 0 HB2 GLU A 55 -6.676 6.480 1.202 1.00 4.43 H new ATOM 0 HB3 GLU A 55 -6.067 7.662 2.344 1.00 4.43 H new ATOM 0 HG2 GLU A 55 -8.822 6.359 2.347 1.00 70.42 H new ATOM 0 HG3 GLU A 55 -7.541 6.126 3.519 1.00 70.42 H new ATOM 915 N GLN A 56 -6.359 10.083 -0.630 1.00 42.52 N ATOM 916 CA GLN A 56 -5.489 10.547 -1.733 1.00 31.00 C ATOM 917 C GLN A 56 -3.993 10.544 -1.310 1.00 41.22 C ATOM 918 O GLN A 56 -3.514 11.482 -0.656 1.00 73.32 O ATOM 919 CB GLN A 56 -5.953 11.961 -2.192 1.00 62.01 C ATOM 920 CG GLN A 56 -7.422 12.005 -2.681 1.00 10.42 C ATOM 921 CD GLN A 56 -7.929 13.409 -3.038 1.00 33.31 C ATOM 922 OE1 GLN A 56 -7.174 14.276 -3.460 1.00 41.33 O ATOM 923 NE2 GLN A 56 -9.220 13.643 -2.875 1.00 4.14 N ATOM 0 H GLN A 56 -6.935 10.822 -0.227 1.00 42.52 H new ATOM 0 HA GLN A 56 -5.578 9.858 -2.573 1.00 31.00 H new ATOM 0 HB2 GLN A 56 -5.834 12.660 -1.364 1.00 62.01 H new ATOM 0 HB3 GLN A 56 -5.301 12.305 -2.995 1.00 62.01 H new ATOM 0 HG2 GLN A 56 -7.520 11.363 -3.556 1.00 10.42 H new ATOM 0 HG3 GLN A 56 -8.063 11.587 -1.905 1.00 10.42 H new ATOM 0 HE21 GLN A 56 -9.831 12.907 -2.522 1.00 4.14 H new ATOM 0 HE22 GLN A 56 -9.605 14.560 -3.102 1.00 4.14 H new ATOM 932 N PHE A 57 -3.285 9.448 -1.653 1.00 64.34 N ATOM 933 CA PHE A 57 -1.851 9.256 -1.313 1.00 24.44 C ATOM 934 C PHE A 57 -0.917 10.063 -2.253 1.00 41.55 C ATOM 935 O PHE A 57 -1.316 10.486 -3.345 1.00 52.34 O ATOM 936 CB PHE A 57 -1.470 7.749 -1.382 1.00 14.32 C ATOM 937 CG PHE A 57 -2.360 6.825 -0.549 1.00 23.13 C ATOM 938 CD1 PHE A 57 -2.363 6.901 0.846 1.00 21.10 C ATOM 939 CD2 PHE A 57 -3.184 5.870 -1.158 1.00 74.23 C ATOM 940 CE1 PHE A 57 -3.170 6.066 1.600 1.00 15.52 C ATOM 941 CE2 PHE A 57 -3.987 5.037 -0.400 1.00 22.35 C ATOM 942 CZ PHE A 57 -3.974 5.131 0.978 1.00 33.13 C ATOM 0 H PHE A 57 -3.687 8.668 -2.174 1.00 64.34 H new ATOM 0 HA PHE A 57 -1.715 9.625 -0.297 1.00 24.44 H new ATOM 0 HB2 PHE A 57 -1.508 7.426 -2.422 1.00 14.32 H new ATOM 0 HB3 PHE A 57 -0.438 7.634 -1.050 1.00 14.32 H new ATOM 0 HD1 PHE A 57 -1.728 7.620 1.342 1.00 21.10 H new ATOM 0 HD2 PHE A 57 -3.192 5.783 -2.234 1.00 74.23 H new ATOM 0 HE1 PHE A 57 -3.171 6.146 2.677 1.00 15.52 H new ATOM 0 HE2 PHE A 57 -4.624 4.313 -0.886 1.00 22.35 H new ATOM 0 HZ PHE A 57 -4.593 4.473 1.570 1.00 33.13 H new ATOM 952 N ASN A 58 0.338 10.250 -1.813 1.00 51.24 N ATOM 953 CA ASN A 58 1.390 10.935 -2.598 1.00 55.32 C ATOM 954 C ASN A 58 2.075 9.953 -3.581 1.00 23.01 C ATOM 955 O ASN A 58 2.026 8.748 -3.376 1.00 35.22 O ATOM 956 CB ASN A 58 2.428 11.546 -1.633 1.00 42.20 C ATOM 957 CG ASN A 58 1.802 12.535 -0.646 1.00 4.43 C ATOM 958 OD1 ASN A 58 1.706 13.728 -0.915 1.00 44.55 O ATOM 959 ND2 ASN A 58 1.369 12.051 0.508 1.00 63.11 N ATOM 0 H ASN A 58 0.658 9.930 -0.899 1.00 51.24 H new ATOM 0 HA ASN A 58 0.932 11.729 -3.188 1.00 55.32 H new ATOM 0 HB2 ASN A 58 2.918 10.746 -1.078 1.00 42.20 H new ATOM 0 HB3 ASN A 58 3.201 12.054 -2.210 1.00 42.20 H new ATOM 0 HD21 ASN A 58 0.945 12.674 1.195 1.00 63.11 H new ATOM 0 HD22 ASN A 58 1.460 11.055 0.710 1.00 63.11 H new ATOM 966 N GLU A 59 2.735 10.501 -4.623 1.00 10.55 N ATOM 967 CA GLU A 59 3.367 9.715 -5.725 1.00 52.04 C ATOM 968 C GLU A 59 4.340 8.591 -5.238 1.00 43.41 C ATOM 969 O GLU A 59 4.379 7.500 -5.818 1.00 23.32 O ATOM 970 CB GLU A 59 4.102 10.688 -6.691 1.00 51.34 C ATOM 971 CG GLU A 59 5.184 11.562 -6.016 1.00 64.32 C ATOM 972 CD GLU A 59 5.873 12.545 -6.976 1.00 51.23 C ATOM 973 OE1 GLU A 59 6.844 12.145 -7.656 1.00 15.50 O ATOM 974 OE2 GLU A 59 5.459 13.725 -7.047 1.00 11.41 O ATOM 0 H GLU A 59 2.850 11.509 -4.732 1.00 10.55 H new ATOM 0 HA GLU A 59 2.560 9.194 -6.240 1.00 52.04 H new ATOM 0 HB2 GLU A 59 4.566 10.107 -7.488 1.00 51.34 H new ATOM 0 HB3 GLU A 59 3.365 11.341 -7.160 1.00 51.34 H new ATOM 0 HG2 GLU A 59 4.728 12.124 -5.201 1.00 64.32 H new ATOM 0 HG3 GLU A 59 5.938 10.912 -5.572 1.00 64.32 H new ATOM 981 N ALA A 60 5.112 8.872 -4.169 1.00 51.44 N ATOM 982 CA ALA A 60 6.051 7.893 -3.562 1.00 75.55 C ATOM 983 C ALA A 60 5.294 6.763 -2.822 1.00 32.15 C ATOM 984 O ALA A 60 5.635 5.582 -2.962 1.00 12.12 O ATOM 985 CB ALA A 60 7.027 8.613 -2.617 1.00 31.33 C ATOM 0 H ALA A 60 5.106 9.778 -3.700 1.00 51.44 H new ATOM 0 HA ALA A 60 6.622 7.427 -4.365 1.00 75.55 H new ATOM 0 HB1 ALA A 60 7.711 7.887 -2.178 1.00 31.33 H new ATOM 0 HB2 ALA A 60 7.596 9.354 -3.178 1.00 31.33 H new ATOM 0 HB3 ALA A 60 6.467 9.109 -1.825 1.00 31.33 H new ATOM 991 N GLN A 61 4.260 7.148 -2.042 1.00 53.34 N ATOM 992 CA GLN A 61 3.340 6.196 -1.364 1.00 54.14 C ATOM 993 C GLN A 61 2.618 5.275 -2.384 1.00 43.52 C ATOM 994 O GLN A 61 2.438 4.082 -2.137 1.00 1.04 O ATOM 995 CB GLN A 61 2.285 6.974 -0.523 1.00 22.33 C ATOM 996 CG GLN A 61 2.853 7.744 0.689 1.00 5.13 C ATOM 997 CD GLN A 61 1.789 8.542 1.461 1.00 14.44 C ATOM 998 OE1 GLN A 61 0.819 9.019 0.893 1.00 62.33 O ATOM 999 NE2 GLN A 61 1.961 8.698 2.755 1.00 15.33 N ATOM 0 H GLN A 61 4.036 8.127 -1.862 1.00 53.34 H new ATOM 0 HA GLN A 61 3.942 5.569 -0.706 1.00 54.14 H new ATOM 0 HB2 GLN A 61 1.773 7.681 -1.175 1.00 22.33 H new ATOM 0 HB3 GLN A 61 1.535 6.268 -0.166 1.00 22.33 H new ATOM 0 HG2 GLN A 61 3.329 7.037 1.368 1.00 5.13 H new ATOM 0 HG3 GLN A 61 3.629 8.427 0.344 1.00 5.13 H new ATOM 0 HE21 GLN A 61 2.777 8.293 3.214 1.00 15.33 H new ATOM 0 HE22 GLN A 61 1.278 9.224 3.300 1.00 15.33 H new ATOM 1008 N LEU A 62 2.232 5.856 -3.536 1.00 24.54 N ATOM 1009 CA LEU A 62 1.544 5.133 -4.629 1.00 74.03 C ATOM 1010 C LEU A 62 2.466 4.098 -5.304 1.00 14.53 C ATOM 1011 O LEU A 62 2.009 3.034 -5.696 1.00 14.32 O ATOM 1012 CB LEU A 62 1.008 6.135 -5.685 1.00 23.30 C ATOM 1013 CG LEU A 62 -0.130 7.083 -5.195 1.00 21.11 C ATOM 1014 CD1 LEU A 62 -0.496 8.140 -6.260 1.00 14.23 C ATOM 1015 CD2 LEU A 62 -1.374 6.276 -4.762 1.00 71.12 C ATOM 0 H LEU A 62 2.388 6.844 -3.738 1.00 24.54 H new ATOM 0 HA LEU A 62 0.707 4.593 -4.186 1.00 74.03 H new ATOM 0 HB2 LEU A 62 1.840 6.746 -6.036 1.00 23.30 H new ATOM 0 HB3 LEU A 62 0.643 5.571 -6.543 1.00 23.30 H new ATOM 0 HG LEU A 62 0.247 7.620 -4.324 1.00 21.11 H new ATOM 0 HD11 LEU A 62 -1.292 8.780 -5.879 1.00 14.23 H new ATOM 0 HD12 LEU A 62 0.380 8.747 -6.486 1.00 14.23 H new ATOM 0 HD13 LEU A 62 -0.835 7.640 -7.167 1.00 14.23 H new ATOM 0 HD21 LEU A 62 -2.152 6.960 -4.425 1.00 71.12 H new ATOM 0 HD22 LEU A 62 -1.743 5.695 -5.607 1.00 71.12 H new ATOM 0 HD23 LEU A 62 -1.106 5.602 -3.948 1.00 71.12 H new ATOM 1027 N ALA A 63 3.760 4.441 -5.446 1.00 62.55 N ATOM 1028 CA ALA A 63 4.785 3.524 -6.001 1.00 60.11 C ATOM 1029 C ALA A 63 5.004 2.288 -5.090 1.00 42.30 C ATOM 1030 O ALA A 63 5.183 1.161 -5.577 1.00 4.04 O ATOM 1031 CB ALA A 63 6.099 4.287 -6.225 1.00 64.43 C ATOM 0 H ALA A 63 4.127 5.355 -5.182 1.00 62.55 H new ATOM 0 HA ALA A 63 4.426 3.150 -6.960 1.00 60.11 H new ATOM 0 HB1 ALA A 63 6.849 3.609 -6.633 1.00 64.43 H new ATOM 0 HB2 ALA A 63 5.930 5.105 -6.926 1.00 64.43 H new ATOM 0 HB3 ALA A 63 6.452 4.690 -5.276 1.00 64.43 H new ATOM 1037 N LEU A 64 4.988 2.523 -3.762 1.00 70.20 N ATOM 1038 CA LEU A 64 5.111 1.452 -2.745 1.00 55.43 C ATOM 1039 C LEU A 64 3.885 0.505 -2.751 1.00 53.11 C ATOM 1040 O LEU A 64 4.025 -0.716 -2.862 1.00 73.51 O ATOM 1041 CB LEU A 64 5.274 2.068 -1.335 1.00 72.13 C ATOM 1042 CG LEU A 64 5.550 1.050 -0.186 1.00 32.22 C ATOM 1043 CD1 LEU A 64 6.890 0.321 -0.397 1.00 71.53 C ATOM 1044 CD2 LEU A 64 5.502 1.725 1.195 1.00 13.51 C ATOM 0 H LEU A 64 4.890 3.456 -3.363 1.00 70.20 H new ATOM 0 HA LEU A 64 5.995 0.867 -2.999 1.00 55.43 H new ATOM 0 HB2 LEU A 64 6.092 2.787 -1.364 1.00 72.13 H new ATOM 0 HB3 LEU A 64 4.369 2.625 -1.094 1.00 72.13 H new ATOM 0 HG LEU A 64 4.754 0.306 -0.215 1.00 32.22 H new ATOM 0 HD11 LEU A 64 7.054 -0.382 0.420 1.00 71.53 H new ATOM 0 HD12 LEU A 64 6.864 -0.221 -1.342 1.00 71.53 H new ATOM 0 HD13 LEU A 64 7.701 1.049 -0.418 1.00 71.53 H new ATOM 0 HD21 LEU A 64 5.699 0.984 1.969 1.00 13.51 H new ATOM 0 HD22 LEU A 64 6.257 2.509 1.243 1.00 13.51 H new ATOM 0 HD23 LEU A 64 4.516 2.161 1.353 1.00 13.51 H new ATOM 1056 N ILE A 65 2.690 1.107 -2.615 1.00 14.50 N ATOM 1057 CA ILE A 65 1.397 0.386 -2.606 1.00 23.23 C ATOM 1058 C ILE A 65 1.178 -0.416 -3.917 1.00 75.02 C ATOM 1059 O ILE A 65 0.690 -1.541 -3.881 1.00 32.22 O ATOM 1060 CB ILE A 65 0.210 1.402 -2.347 1.00 62.23 C ATOM 1061 CG1 ILE A 65 0.288 1.955 -0.881 1.00 13.11 C ATOM 1062 CG2 ILE A 65 -1.184 0.785 -2.643 1.00 1.32 C ATOM 1063 CD1 ILE A 65 -0.720 3.045 -0.543 1.00 32.00 C ATOM 0 H ILE A 65 2.590 2.116 -2.507 1.00 14.50 H new ATOM 0 HA ILE A 65 1.417 -0.339 -1.792 1.00 23.23 H new ATOM 0 HB ILE A 65 0.329 2.229 -3.047 1.00 62.23 H new ATOM 0 HG12 ILE A 65 0.147 1.125 -0.189 1.00 13.11 H new ATOM 0 HG13 ILE A 65 1.291 2.345 -0.710 1.00 13.11 H new ATOM 0 HG21 ILE A 65 -1.959 1.526 -2.448 1.00 1.32 H new ATOM 0 HG22 ILE A 65 -1.231 0.477 -3.687 1.00 1.32 H new ATOM 0 HG23 ILE A 65 -1.342 -0.082 -2.002 1.00 1.32 H new ATOM 0 HD11 ILE A 65 -0.583 3.359 0.492 1.00 32.00 H new ATOM 0 HD12 ILE A 65 -0.568 3.898 -1.204 1.00 32.00 H new ATOM 0 HD13 ILE A 65 -1.731 2.659 -0.675 1.00 32.00 H new ATOM 1075 N ARG A 66 1.588 0.168 -5.058 1.00 51.50 N ATOM 1076 CA ARG A 66 1.498 -0.481 -6.392 1.00 41.15 C ATOM 1077 C ARG A 66 2.346 -1.774 -6.449 1.00 41.42 C ATOM 1078 O ARG A 66 1.907 -2.793 -6.995 1.00 24.14 O ATOM 1079 CB ARG A 66 1.978 0.520 -7.467 1.00 65.25 C ATOM 1080 CG ARG A 66 1.753 0.102 -8.934 1.00 54.45 C ATOM 1081 CD ARG A 66 2.265 1.179 -9.912 1.00 40.54 C ATOM 1082 NE ARG A 66 1.725 2.516 -9.570 1.00 64.52 N ATOM 1083 CZ ARG A 66 2.419 3.638 -9.511 1.00 63.33 C ATOM 1084 NH1 ARG A 66 3.667 3.685 -9.840 1.00 71.55 N ATOM 1085 NH2 ARG A 66 1.836 4.722 -9.126 1.00 3.33 N ATOM 0 H ARG A 66 1.992 1.104 -5.088 1.00 51.50 H new ATOM 0 HA ARG A 66 0.461 -0.762 -6.578 1.00 41.15 H new ATOM 0 HB2 ARG A 66 1.472 1.471 -7.300 1.00 65.25 H new ATOM 0 HB3 ARG A 66 3.044 0.696 -7.320 1.00 65.25 H new ATOM 0 HG2 ARG A 66 2.265 -0.840 -9.128 1.00 54.45 H new ATOM 0 HG3 ARG A 66 0.691 -0.072 -9.105 1.00 54.45 H new ATOM 0 HD2 ARG A 66 3.354 1.207 -9.888 1.00 40.54 H new ATOM 0 HD3 ARG A 66 1.975 0.917 -10.930 1.00 40.54 H new ATOM 0 HE ARG A 66 0.728 2.575 -9.362 1.00 64.52 H new ATOM 0 HH11 ARG A 66 4.143 2.840 -10.156 1.00 71.55 H new ATOM 0 HH12 ARG A 66 4.176 4.567 -9.784 1.00 71.55 H new ATOM 0 HH21 ARG A 66 0.849 4.707 -8.871 1.00 3.33 H new ATOM 0 HH22 ARG A 66 2.362 5.594 -9.077 1.00 3.33 H new ATOM 1099 N ASP A 67 3.560 -1.705 -5.866 1.00 24.42 N ATOM 1100 CA ASP A 67 4.487 -2.852 -5.779 1.00 1.41 C ATOM 1101 C ASP A 67 3.902 -3.989 -4.912 1.00 53.12 C ATOM 1102 O ASP A 67 3.785 -5.121 -5.369 1.00 1.24 O ATOM 1103 CB ASP A 67 5.851 -2.390 -5.199 1.00 12.43 C ATOM 1104 CG ASP A 67 6.856 -3.541 -4.992 1.00 61.12 C ATOM 1105 OD1 ASP A 67 7.524 -3.945 -5.966 1.00 63.22 O ATOM 1106 OD2 ASP A 67 6.961 -4.070 -3.859 1.00 1.21 O ATOM 0 H ASP A 67 3.926 -0.852 -5.442 1.00 24.42 H new ATOM 0 HA ASP A 67 4.634 -3.241 -6.787 1.00 1.41 H new ATOM 0 HB2 ASP A 67 6.290 -1.652 -5.870 1.00 12.43 H new ATOM 0 HB3 ASP A 67 5.680 -1.892 -4.245 1.00 12.43 H new ATOM 1111 N ILE A 68 3.530 -3.652 -3.664 1.00 64.15 N ATOM 1112 CA ILE A 68 3.074 -4.629 -2.647 1.00 5.30 C ATOM 1113 C ILE A 68 1.711 -5.279 -3.026 1.00 20.31 C ATOM 1114 O ILE A 68 1.489 -6.467 -2.767 1.00 24.53 O ATOM 1115 CB ILE A 68 2.999 -3.942 -1.234 1.00 0.13 C ATOM 1116 CG1 ILE A 68 4.414 -3.421 -0.798 1.00 50.33 C ATOM 1117 CG2 ILE A 68 2.401 -4.889 -0.168 1.00 1.12 C ATOM 1118 CD1 ILE A 68 4.450 -2.671 0.532 1.00 62.41 C ATOM 0 H ILE A 68 3.536 -2.690 -3.326 1.00 64.15 H new ATOM 0 HA ILE A 68 3.806 -5.436 -2.610 1.00 5.30 H new ATOM 0 HB ILE A 68 2.328 -3.087 -1.316 1.00 0.13 H new ATOM 0 HG12 ILE A 68 5.093 -4.271 -0.736 1.00 50.33 H new ATOM 0 HG13 ILE A 68 4.797 -2.763 -1.578 1.00 50.33 H new ATOM 0 HG21 ILE A 68 2.366 -4.378 0.794 1.00 1.12 H new ATOM 0 HG22 ILE A 68 1.392 -5.178 -0.463 1.00 1.12 H new ATOM 0 HG23 ILE A 68 3.023 -5.780 -0.083 1.00 1.12 H new ATOM 0 HD11 ILE A 68 5.471 -2.353 0.743 1.00 62.41 H new ATOM 0 HD12 ILE A 68 3.802 -1.796 0.474 1.00 62.41 H new ATOM 0 HD13 ILE A 68 4.102 -3.328 1.330 1.00 62.41 H new ATOM 1130 N ARG A 69 0.820 -4.490 -3.641 1.00 1.31 N ATOM 1131 CA ARG A 69 -0.476 -4.982 -4.170 1.00 62.14 C ATOM 1132 C ARG A 69 -0.249 -6.007 -5.310 1.00 34.13 C ATOM 1133 O ARG A 69 -0.856 -7.082 -5.335 1.00 62.23 O ATOM 1134 CB ARG A 69 -1.321 -3.772 -4.661 1.00 4.25 C ATOM 1135 CG ARG A 69 -2.714 -4.081 -5.271 1.00 21.31 C ATOM 1136 CD ARG A 69 -3.741 -4.674 -4.276 1.00 73.12 C ATOM 1137 NE ARG A 69 -3.423 -6.056 -3.856 1.00 34.45 N ATOM 1138 CZ ARG A 69 -3.863 -7.163 -4.420 1.00 32.34 C ATOM 1139 NH1 ARG A 69 -4.665 -7.134 -5.440 1.00 41.01 N ATOM 1140 NH2 ARG A 69 -3.485 -8.305 -3.952 1.00 75.33 N ATOM 0 H ARG A 69 0.969 -3.492 -3.790 1.00 1.31 H new ATOM 0 HA ARG A 69 -1.020 -5.494 -3.376 1.00 62.14 H new ATOM 0 HB2 ARG A 69 -1.464 -3.095 -3.818 1.00 4.25 H new ATOM 0 HB3 ARG A 69 -0.737 -3.233 -5.407 1.00 4.25 H new ATOM 0 HG2 ARG A 69 -3.124 -3.162 -5.690 1.00 21.31 H new ATOM 0 HG3 ARG A 69 -2.586 -4.779 -6.098 1.00 21.31 H new ATOM 0 HD2 ARG A 69 -3.790 -4.036 -3.393 1.00 73.12 H new ATOM 0 HD3 ARG A 69 -4.730 -4.660 -4.735 1.00 73.12 H new ATOM 0 HE ARG A 69 -2.804 -6.163 -3.053 1.00 34.45 H new ATOM 0 HH11 ARG A 69 -4.970 -6.239 -5.824 1.00 41.01 H new ATOM 0 HH12 ARG A 69 -4.991 -8.006 -5.858 1.00 41.01 H new ATOM 0 HH21 ARG A 69 -2.852 -8.345 -3.153 1.00 75.33 H new ATOM 0 HH22 ARG A 69 -3.819 -9.168 -4.381 1.00 75.33 H new ATOM 1154 N ARG A 70 0.670 -5.665 -6.222 1.00 13.11 N ATOM 1155 CA ARG A 70 1.077 -6.544 -7.337 1.00 31.34 C ATOM 1156 C ARG A 70 1.929 -7.755 -6.829 1.00 63.41 C ATOM 1157 O ARG A 70 2.025 -8.794 -7.489 1.00 63.55 O ATOM 1158 CB ARG A 70 1.862 -5.701 -8.374 1.00 13.44 C ATOM 1159 CG ARG A 70 1.973 -6.332 -9.774 1.00 40.13 C ATOM 1160 CD ARG A 70 2.851 -5.502 -10.726 1.00 61.54 C ATOM 1161 NE ARG A 70 4.262 -5.479 -10.285 1.00 22.32 N ATOM 1162 CZ ARG A 70 5.268 -6.054 -10.910 1.00 22.22 C ATOM 1163 NH1 ARG A 70 5.089 -6.707 -12.018 1.00 24.32 N ATOM 1164 NH2 ARG A 70 6.458 -5.969 -10.415 1.00 24.44 N ATOM 0 H ARG A 70 1.157 -4.769 -6.211 1.00 13.11 H new ATOM 0 HA ARG A 70 0.188 -6.963 -7.808 1.00 31.34 H new ATOM 0 HB2 ARG A 70 1.381 -4.727 -8.468 1.00 13.44 H new ATOM 0 HB3 ARG A 70 2.867 -5.524 -7.991 1.00 13.44 H new ATOM 0 HG2 ARG A 70 2.388 -7.336 -9.685 1.00 40.13 H new ATOM 0 HG3 ARG A 70 0.976 -6.436 -10.202 1.00 40.13 H new ATOM 0 HD2 ARG A 70 2.791 -5.917 -11.732 1.00 61.54 H new ATOM 0 HD3 ARG A 70 2.469 -4.482 -10.778 1.00 61.54 H new ATOM 0 HE ARG A 70 4.474 -4.975 -9.424 1.00 22.32 H new ATOM 0 HH11 ARG A 70 4.155 -6.782 -12.421 1.00 24.32 H new ATOM 0 HH12 ARG A 70 5.883 -7.145 -12.486 1.00 24.32 H new ATOM 0 HH21 ARG A 70 6.613 -5.459 -9.545 1.00 24.44 H new ATOM 0 HH22 ARG A 70 7.242 -6.412 -10.894 1.00 24.44 H new ATOM 1178 N ARG A 71 2.545 -7.590 -5.644 1.00 34.12 N ATOM 1179 CA ARG A 71 3.333 -8.647 -4.960 1.00 20.03 C ATOM 1180 C ARG A 71 2.415 -9.515 -4.048 1.00 25.22 C ATOM 1181 O ARG A 71 2.835 -10.563 -3.543 1.00 55.12 O ATOM 1182 CB ARG A 71 4.468 -7.970 -4.136 1.00 22.10 C ATOM 1183 CG ARG A 71 5.543 -8.914 -3.547 1.00 42.21 C ATOM 1184 CD ARG A 71 6.621 -8.155 -2.740 1.00 64.43 C ATOM 1185 NE ARG A 71 7.294 -7.108 -3.541 1.00 13.22 N ATOM 1186 CZ ARG A 71 8.482 -7.212 -4.114 1.00 21.20 C ATOM 1187 NH1 ARG A 71 9.155 -8.319 -4.098 1.00 72.20 N ATOM 1188 NH2 ARG A 71 8.974 -6.193 -4.730 1.00 42.23 N ATOM 0 H ARG A 71 2.513 -6.713 -5.125 1.00 34.12 H new ATOM 0 HA ARG A 71 3.775 -9.314 -5.700 1.00 20.03 H new ATOM 0 HB2 ARG A 71 4.966 -7.240 -4.775 1.00 22.10 H new ATOM 0 HB3 ARG A 71 4.012 -7.417 -3.315 1.00 22.10 H new ATOM 0 HG2 ARG A 71 5.062 -9.649 -2.902 1.00 42.21 H new ATOM 0 HG3 ARG A 71 6.021 -9.465 -4.357 1.00 42.21 H new ATOM 0 HD2 ARG A 71 6.160 -7.698 -1.864 1.00 64.43 H new ATOM 0 HD3 ARG A 71 7.365 -8.864 -2.376 1.00 64.43 H new ATOM 0 HE ARG A 71 6.797 -6.226 -3.662 1.00 13.22 H new ATOM 0 HH11 ARG A 71 8.771 -9.143 -3.634 1.00 72.20 H new ATOM 0 HH12 ARG A 71 10.069 -8.367 -4.549 1.00 72.20 H new ATOM 0 HH21 ARG A 71 8.449 -5.320 -4.772 1.00 42.23 H new ATOM 0 HH22 ARG A 71 9.889 -6.260 -5.176 1.00 42.23 H new