USER MOD reduce.3.24.130724 H: found=0, std=0, add=430, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 431 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 31 MET CE :methyl -159:sc= -0.136 (180deg=-0.713) USER MOD Set 1.2: A 58 THR OG1 : rot 128:sc= -0.0213! USER MOD Set 1.3: A 60 SER OG : rot 180:sc= 0.945 USER MOD Set 1.4: A 61 GLN : amide:sc= 0.229 K(o=1,f=-5.7!) USER MOD Single : A 32 LYS NZ :NH3+ -174:sc= 0.257 (180deg=0.148) USER MOD Single : A 37 THR OG1 : rot -96:sc= 0.46 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=-0.33) USER MOD Single : A 49 ASN : amide:sc= -0.176 X(o=-0.18,f=-0.65) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= 0.987 (180deg=0.269) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -8.063 -5.999 1.760 1.00 52.32 N ATOM 350 CA ASP A 24 -6.628 -5.724 1.633 1.00 70.04 C ATOM 351 C ASP A 24 -5.819 -6.341 2.788 1.00 43.44 C ATOM 352 O ASP A 24 -4.636 -6.648 2.630 1.00 2.32 O ATOM 353 CB ASP A 24 -6.392 -4.215 1.556 1.00 72.30 C ATOM 354 CG ASP A 24 -7.365 -3.538 0.608 1.00 11.24 C ATOM 355 OD1 ASP A 24 -7.240 -3.721 -0.623 1.00 53.34 O ATOM 356 OD2 ASP A 24 -8.285 -2.851 1.096 1.00 21.42 O ATOM 0 HA ASP A 24 -6.278 -6.190 0.712 1.00 70.04 H new ATOM 0 HB2 ASP A 24 -6.492 -3.781 2.551 1.00 72.30 H new ATOM 0 HB3 ASP A 24 -5.371 -4.024 1.226 1.00 72.30 H new ATOM 361 N GLU A 25 -6.466 -6.538 3.939 1.00 73.02 N ATOM 362 CA GLU A 25 -5.824 -7.187 5.091 1.00 72.15 C ATOM 363 C GLU A 25 -5.323 -8.591 4.722 1.00 14.20 C ATOM 364 O GLU A 25 -4.203 -8.974 5.059 1.00 2.35 O ATOM 365 CB GLU A 25 -6.801 -7.281 6.275 1.00 0.35 C ATOM 366 CG GLU A 25 -7.231 -5.930 6.839 1.00 41.11 C ATOM 367 CD GLU A 25 -6.079 -5.141 7.442 1.00 44.42 C ATOM 368 OE1 GLU A 25 -5.601 -5.517 8.533 1.00 0.53 O ATOM 369 OE2 GLU A 25 -5.647 -4.140 6.829 1.00 23.21 O ATOM 0 H GLU A 25 -7.434 -6.259 4.101 1.00 73.02 H new ATOM 0 HA GLU A 25 -4.970 -6.576 5.382 1.00 72.15 H new ATOM 0 HB2 GLU A 25 -7.688 -7.828 5.957 1.00 0.35 H new ATOM 0 HB3 GLU A 25 -6.336 -7.863 7.071 1.00 0.35 H new ATOM 0 HG2 GLU A 25 -7.690 -5.341 6.045 1.00 41.11 H new ATOM 0 HG3 GLU A 25 -7.994 -6.087 7.601 1.00 41.11 H new ATOM 376 N ARG A 26 -6.167 -9.360 4.028 1.00 21.43 N ATOM 377 CA ARG A 26 -5.786 -10.702 3.566 1.00 64.14 C ATOM 378 C ARG A 26 -4.679 -10.634 2.499 1.00 31.45 C ATOM 379 O ARG A 26 -3.809 -11.503 2.442 1.00 55.13 O ATOM 380 CB ARG A 26 -7.011 -11.463 3.030 1.00 11.12 C ATOM 381 CG ARG A 26 -7.825 -12.217 4.095 1.00 15.10 C ATOM 382 CD ARG A 26 -8.477 -11.299 5.136 1.00 44.35 C ATOM 383 NE ARG A 26 -7.526 -10.807 6.137 1.00 31.44 N ATOM 384 CZ ARG A 26 -7.659 -10.979 7.431 1.00 1.53 C ATOM 385 NH1 ARG A 26 -8.643 -11.671 7.914 1.00 42.30 N ATOM 386 NH2 ARG A 26 -6.790 -10.466 8.239 1.00 43.13 N ATOM 0 H ARG A 26 -7.114 -9.080 3.774 1.00 21.43 H new ATOM 0 HA ARG A 26 -5.390 -11.247 4.423 1.00 64.14 H new ATOM 0 HB2 ARG A 26 -7.668 -10.754 2.526 1.00 11.12 H new ATOM 0 HB3 ARG A 26 -6.676 -12.177 2.278 1.00 11.12 H new ATOM 0 HG2 ARG A 26 -8.602 -12.800 3.600 1.00 15.10 H new ATOM 0 HG3 ARG A 26 -7.172 -12.924 4.606 1.00 15.10 H new ATOM 0 HD2 ARG A 26 -8.935 -10.450 4.629 1.00 44.35 H new ATOM 0 HD3 ARG A 26 -9.279 -11.840 5.639 1.00 44.35 H new ATOM 0 HE ARG A 26 -6.707 -10.297 5.806 1.00 31.44 H new ATOM 0 HH11 ARG A 26 -9.328 -12.091 7.286 1.00 42.30 H new ATOM 0 HH12 ARG A 26 -8.732 -11.795 8.922 1.00 42.30 H new ATOM 0 HH21 ARG A 26 -6.005 -9.930 7.870 1.00 43.13 H new ATOM 0 HH22 ARG A 26 -6.890 -10.597 9.246 1.00 43.13 H new ATOM 400 N ARG A 27 -4.710 -9.593 1.663 1.00 40.23 N ATOM 401 CA ARG A 27 -3.632 -9.350 0.689 1.00 10.31 C ATOM 402 C ARG A 27 -2.277 -9.197 1.405 1.00 21.21 C ATOM 403 O ARG A 27 -1.283 -9.833 1.043 1.00 2.52 O ATOM 404 CB ARG A 27 -3.903 -8.073 -0.125 1.00 23.24 C ATOM 405 CG ARG A 27 -5.119 -8.133 -1.047 1.00 52.23 C ATOM 406 CD ARG A 27 -5.266 -6.830 -1.836 1.00 30.34 C ATOM 407 NE ARG A 27 -6.339 -6.875 -2.828 1.00 32.22 N ATOM 408 CZ ARG A 27 -6.419 -6.056 -3.850 1.00 13.12 C ATOM 409 NH1 ARG A 27 -5.513 -5.144 -4.031 1.00 31.24 N ATOM 410 NH2 ARG A 27 -7.395 -6.165 -4.695 1.00 51.51 N ATOM 0 H ARG A 27 -5.463 -8.906 1.637 1.00 40.23 H new ATOM 0 HA ARG A 27 -3.600 -10.209 0.018 1.00 10.31 H new ATOM 0 HB2 ARG A 27 -4.033 -7.241 0.567 1.00 23.24 H new ATOM 0 HB3 ARG A 27 -3.022 -7.852 -0.727 1.00 23.24 H new ATOM 0 HG2 ARG A 27 -5.018 -8.971 -1.736 1.00 52.23 H new ATOM 0 HG3 ARG A 27 -6.019 -8.311 -0.459 1.00 52.23 H new ATOM 0 HD2 ARG A 27 -5.456 -6.012 -1.141 1.00 30.34 H new ATOM 0 HD3 ARG A 27 -4.324 -6.609 -2.339 1.00 30.34 H new ATOM 0 HE ARG A 27 -7.066 -7.582 -2.720 1.00 32.22 H new ATOM 0 HH11 ARG A 27 -4.734 -5.062 -3.377 1.00 31.24 H new ATOM 0 HH12 ARG A 27 -5.580 -4.510 -4.827 1.00 31.24 H new ATOM 0 HH21 ARG A 27 -8.103 -6.888 -4.566 1.00 51.51 H new ATOM 0 HH22 ARG A 27 -7.456 -5.528 -5.489 1.00 51.51 H new ATOM 424 N ALA A 28 -2.260 -8.339 2.425 1.00 31.51 N ATOM 425 CA ALA A 28 -1.042 -8.031 3.179 1.00 65.20 C ATOM 426 C ALA A 28 -0.419 -9.279 3.821 1.00 30.23 C ATOM 427 O ALA A 28 0.763 -9.564 3.626 1.00 74.43 O ATOM 428 CB ALA A 28 -1.342 -6.986 4.249 1.00 33.53 C ATOM 0 H ALA A 28 -3.087 -7.839 2.752 1.00 31.51 H new ATOM 0 HA ALA A 28 -0.314 -7.636 2.471 1.00 65.20 H new ATOM 0 HB1 ALA A 28 -0.431 -6.763 4.805 1.00 33.53 H new ATOM 0 HB2 ALA A 28 -1.711 -6.076 3.776 1.00 33.53 H new ATOM 0 HB3 ALA A 28 -2.099 -7.372 4.932 1.00 33.53 H new ATOM 434 N LEU A 29 -1.215 -10.024 4.586 1.00 12.31 N ATOM 435 CA LEU A 29 -0.708 -11.200 5.309 1.00 31.04 C ATOM 436 C LEU A 29 -0.321 -12.354 4.363 1.00 22.12 C ATOM 437 O LEU A 29 0.501 -13.200 4.716 1.00 0.20 O ATOM 438 CB LEU A 29 -1.730 -11.658 6.366 1.00 54.41 C ATOM 439 CG LEU A 29 -3.160 -11.936 5.861 1.00 53.52 C ATOM 440 CD1 LEU A 29 -3.280 -13.329 5.241 1.00 21.11 C ATOM 441 CD2 LEU A 29 -4.173 -11.754 6.987 1.00 71.34 C ATOM 0 H LEU A 29 -2.209 -9.840 4.724 1.00 12.31 H new ATOM 0 HA LEU A 29 0.209 -10.902 5.816 1.00 31.04 H new ATOM 0 HB2 LEU A 29 -1.351 -12.565 6.837 1.00 54.41 H new ATOM 0 HB3 LEU A 29 -1.784 -10.895 7.142 1.00 54.41 H new ATOM 0 HG LEU A 29 -3.380 -11.211 5.077 1.00 53.52 H new ATOM 0 HD11 LEU A 29 -4.302 -13.487 4.897 1.00 21.11 H new ATOM 0 HD12 LEU A 29 -2.596 -13.411 4.396 1.00 21.11 H new ATOM 0 HD13 LEU A 29 -3.027 -14.082 5.987 1.00 21.11 H new ATOM 0 HD21 LEU A 29 -5.176 -11.955 6.610 1.00 71.34 H new ATOM 0 HD22 LEU A 29 -3.945 -12.446 7.797 1.00 71.34 H new ATOM 0 HD23 LEU A 29 -4.123 -10.731 7.359 1.00 71.34 H new ATOM 453 N ALA A 30 -0.910 -12.387 3.167 1.00 35.41 N ATOM 454 CA ALA A 30 -0.564 -13.409 2.168 1.00 1.42 C ATOM 455 C ALA A 30 0.774 -13.086 1.480 1.00 10.33 C ATOM 456 O ALA A 30 1.676 -13.929 1.405 1.00 40.13 O ATOM 457 CB ALA A 30 -1.678 -13.532 1.134 1.00 42.14 C ATOM 0 H ALA A 30 -1.624 -11.725 2.864 1.00 35.41 H new ATOM 0 HA ALA A 30 -0.453 -14.363 2.684 1.00 1.42 H new ATOM 0 HB1 ALA A 30 -1.410 -14.292 0.400 1.00 42.14 H new ATOM 0 HB2 ALA A 30 -2.605 -13.818 1.630 1.00 42.14 H new ATOM 0 HB3 ALA A 30 -1.816 -12.574 0.632 1.00 42.14 H new ATOM 463 N MET A 31 0.909 -11.849 1.002 1.00 51.24 N ATOM 464 CA MET A 31 2.154 -11.392 0.371 1.00 1.41 C ATOM 465 C MET A 31 3.179 -10.938 1.422 1.00 22.03 C ATOM 466 O MET A 31 4.276 -10.493 1.079 1.00 60.54 O ATOM 467 CB MET A 31 1.868 -10.261 -0.624 1.00 73.42 C ATOM 468 CG MET A 31 1.110 -10.722 -1.865 1.00 74.43 C ATOM 469 SD MET A 31 2.061 -11.882 -2.868 1.00 43.30 S ATOM 470 CE MET A 31 3.460 -10.859 -3.327 1.00 71.45 C ATOM 0 H MET A 31 0.174 -11.143 1.038 1.00 51.24 H new ATOM 0 HA MET A 31 2.583 -12.235 -0.171 1.00 1.41 H new ATOM 0 HB2 MET A 31 1.291 -9.484 -0.123 1.00 73.42 H new ATOM 0 HB3 MET A 31 2.812 -9.810 -0.931 1.00 73.42 H new ATOM 0 HG2 MET A 31 0.175 -11.192 -1.561 1.00 74.43 H new ATOM 0 HG3 MET A 31 0.849 -9.854 -2.470 1.00 74.43 H new ATOM 0 HE1 MET A 31 3.936 -11.271 -4.217 1.00 71.45 H new ATOM 0 HE2 MET A 31 3.117 -9.846 -3.535 1.00 71.45 H new ATOM 0 HE3 MET A 31 4.179 -10.838 -2.508 1.00 71.45 H new ATOM 480 N LYS A 32 2.801 -11.043 2.699 1.00 53.31 N ATOM 481 CA LYS A 32 3.718 -10.808 3.821 1.00 64.43 C ATOM 482 C LYS A 32 4.246 -9.360 3.852 1.00 41.34 C ATOM 483 O LYS A 32 5.448 -9.106 3.724 1.00 73.03 O ATOM 484 CB LYS A 32 4.866 -11.829 3.769 1.00 33.21 C ATOM 485 CG LYS A 32 4.402 -13.268 4.006 1.00 33.52 C ATOM 486 CD LYS A 32 5.476 -14.287 3.638 1.00 3.44 C ATOM 487 CE LYS A 32 5.702 -14.358 2.130 1.00 0.32 C ATOM 488 NZ LYS A 32 4.489 -14.825 1.399 1.00 1.24 N ATOM 0 H LYS A 32 1.854 -11.292 2.985 1.00 53.31 H new ATOM 0 HA LYS A 32 3.164 -10.945 4.749 1.00 64.43 H new ATOM 0 HB2 LYS A 32 5.355 -11.767 2.797 1.00 33.21 H new ATOM 0 HB3 LYS A 32 5.612 -11.566 4.519 1.00 33.21 H new ATOM 0 HG2 LYS A 32 4.129 -13.392 5.054 1.00 33.52 H new ATOM 0 HG3 LYS A 32 3.504 -13.460 3.418 1.00 33.52 H new ATOM 0 HD2 LYS A 32 6.411 -14.024 4.133 1.00 3.44 H new ATOM 0 HD3 LYS A 32 5.185 -15.270 4.008 1.00 3.44 H new ATOM 0 HE2 LYS A 32 5.990 -13.374 1.761 1.00 0.32 H new ATOM 0 HE3 LYS A 32 6.532 -15.032 1.920 1.00 0.32 H new ATOM 0 HZ1 LYS A 32 4.719 -14.955 0.393 1.00 1.24 H new ATOM 0 HZ2 LYS A 32 4.168 -15.729 1.801 1.00 1.24 H new ATOM 0 HZ3 LYS A 32 3.733 -14.117 1.493 1.00 1.24 H new ATOM 502 N ILE A 33 3.326 -8.416 4.031 1.00 73.35 N ATOM 503 CA ILE A 33 3.663 -6.990 4.129 1.00 70.10 C ATOM 504 C ILE A 33 3.801 -6.564 5.608 1.00 35.02 C ATOM 505 O ILE A 33 2.884 -6.771 6.403 1.00 64.05 O ATOM 506 CB ILE A 33 2.578 -6.124 3.434 1.00 42.21 C ATOM 507 CG1 ILE A 33 2.388 -6.572 1.973 1.00 33.24 C ATOM 508 CG2 ILE A 33 2.935 -4.640 3.497 1.00 43.02 C ATOM 509 CD1 ILE A 33 3.631 -6.430 1.113 1.00 63.00 C ATOM 0 H ILE A 33 2.328 -8.612 4.113 1.00 73.35 H new ATOM 0 HA ILE A 33 4.617 -6.834 3.626 1.00 70.10 H new ATOM 0 HB ILE A 33 1.638 -6.266 3.968 1.00 42.21 H new ATOM 0 HG12 ILE A 33 2.070 -7.614 1.963 1.00 33.24 H new ATOM 0 HG13 ILE A 33 1.583 -5.988 1.527 1.00 33.24 H new ATOM 0 HG21 ILE A 33 2.158 -4.057 3.003 1.00 43.02 H new ATOM 0 HG22 ILE A 33 3.015 -4.329 4.539 1.00 43.02 H new ATOM 0 HG23 ILE A 33 3.888 -4.473 2.995 1.00 43.02 H new ATOM 0 HD11 ILE A 33 3.413 -6.767 0.100 1.00 63.00 H new ATOM 0 HD12 ILE A 33 3.940 -5.385 1.090 1.00 63.00 H new ATOM 0 HD13 ILE A 33 4.434 -7.036 1.532 1.00 63.00 H new ATOM 521 N PRO A 34 4.950 -5.971 6.006 1.00 12.45 N ATOM 522 CA PRO A 34 5.219 -5.609 7.409 1.00 23.31 C ATOM 523 C PRO A 34 4.612 -4.258 7.853 1.00 13.24 C ATOM 524 O PRO A 34 5.001 -3.713 8.889 1.00 3.31 O ATOM 525 CB PRO A 34 6.762 -5.554 7.476 1.00 15.41 C ATOM 526 CG PRO A 34 7.261 -5.795 6.078 1.00 64.21 C ATOM 527 CD PRO A 34 6.087 -5.628 5.149 1.00 63.21 C ATOM 0 HA PRO A 34 4.759 -6.330 8.084 1.00 23.31 H new ATOM 0 HB2 PRO A 34 7.100 -4.586 7.847 1.00 15.41 H new ATOM 0 HB3 PRO A 34 7.147 -6.309 8.161 1.00 15.41 H new ATOM 0 HG2 PRO A 34 8.054 -5.091 5.826 1.00 64.21 H new ATOM 0 HG3 PRO A 34 7.683 -6.796 5.988 1.00 64.21 H new ATOM 0 HD2 PRO A 34 6.014 -4.610 4.767 1.00 63.21 H new ATOM 0 HD3 PRO A 34 6.157 -6.288 4.285 1.00 63.21 H new ATOM 535 N PHE A 35 3.656 -3.729 7.088 1.00 62.50 N ATOM 536 CA PHE A 35 2.986 -2.466 7.444 1.00 42.41 C ATOM 537 C PHE A 35 1.511 -2.461 6.994 1.00 4.34 C ATOM 538 O PHE A 35 1.161 -3.075 5.986 1.00 40.42 O ATOM 539 CB PHE A 35 3.746 -1.256 6.862 1.00 24.42 C ATOM 540 CG PHE A 35 4.058 -1.343 5.388 1.00 45.21 C ATOM 541 CD1 PHE A 35 5.231 -1.941 4.952 1.00 63.41 C ATOM 542 CD2 PHE A 35 3.193 -0.811 4.443 1.00 3.44 C ATOM 543 CE1 PHE A 35 5.534 -2.007 3.608 1.00 23.02 C ATOM 544 CE2 PHE A 35 3.494 -0.877 3.095 1.00 63.05 C ATOM 545 CZ PHE A 35 4.665 -1.475 2.677 1.00 52.20 C ATOM 0 H PHE A 35 3.325 -4.150 6.220 1.00 62.50 H new ATOM 0 HA PHE A 35 2.997 -2.383 8.531 1.00 42.41 H new ATOM 0 HB2 PHE A 35 3.156 -0.357 7.040 1.00 24.42 H new ATOM 0 HB3 PHE A 35 4.681 -1.137 7.409 1.00 24.42 H new ATOM 0 HD1 PHE A 35 5.916 -2.360 5.674 1.00 63.41 H new ATOM 0 HD2 PHE A 35 2.275 -0.341 4.763 1.00 3.44 H new ATOM 0 HE1 PHE A 35 6.452 -2.475 3.284 1.00 23.02 H new ATOM 0 HE2 PHE A 35 2.812 -0.460 2.369 1.00 63.05 H new ATOM 0 HZ PHE A 35 4.901 -1.527 1.624 1.00 52.20 H new ATOM 555 N PRO A 36 0.627 -1.767 7.750 1.00 44.31 N ATOM 556 CA PRO A 36 -0.835 -1.787 7.509 1.00 2.42 C ATOM 557 C PRO A 36 -1.266 -1.180 6.156 1.00 14.11 C ATOM 558 O PRO A 36 -0.680 -0.207 5.672 1.00 3.44 O ATOM 559 CB PRO A 36 -1.397 -0.956 8.675 1.00 23.35 C ATOM 560 CG PRO A 36 -0.265 -0.092 9.114 1.00 13.04 C ATOM 561 CD PRO A 36 0.978 -0.912 8.905 1.00 74.55 C ATOM 0 HA PRO A 36 -1.205 -2.811 7.461 1.00 2.42 H new ATOM 0 HB2 PRO A 36 -2.250 -0.357 8.357 1.00 23.35 H new ATOM 0 HB3 PRO A 36 -1.742 -1.597 9.486 1.00 23.35 H new ATOM 0 HG2 PRO A 36 -0.228 0.830 8.533 1.00 13.04 H new ATOM 0 HG3 PRO A 36 -0.374 0.194 10.160 1.00 13.04 H new ATOM 0 HD2 PRO A 36 1.844 -0.285 8.693 1.00 74.55 H new ATOM 0 HD3 PRO A 36 1.222 -1.505 9.786 1.00 74.55 H new ATOM 569 N THR A 37 -2.323 -1.756 5.572 1.00 11.32 N ATOM 570 CA THR A 37 -2.848 -1.324 4.265 1.00 31.05 C ATOM 571 C THR A 37 -3.400 0.108 4.298 1.00 43.53 C ATOM 572 O THR A 37 -3.224 0.870 3.347 1.00 4.54 O ATOM 573 CB THR A 37 -3.962 -2.274 3.761 1.00 3.35 C ATOM 574 OG1 THR A 37 -5.096 -2.236 4.648 1.00 31.01 O ATOM 575 CG2 THR A 37 -3.446 -3.706 3.648 1.00 30.12 C ATOM 0 H THR A 37 -2.839 -2.532 5.987 1.00 11.32 H new ATOM 0 HA THR A 37 -2.000 -1.355 3.581 1.00 31.05 H new ATOM 0 HB THR A 37 -4.270 -1.934 2.772 1.00 3.35 H new ATOM 0 HG1 THR A 37 -5.042 -2.982 5.281 1.00 31.01 H new ATOM 0 HG21 THR A 37 -4.247 -4.354 3.292 1.00 30.12 H new ATOM 0 HG22 THR A 37 -2.614 -3.738 2.945 1.00 30.12 H new ATOM 0 HG23 THR A 37 -3.109 -4.049 4.626 1.00 30.12 H new ATOM 583 N ASP A 38 -4.070 0.469 5.390 1.00 72.43 N ATOM 584 CA ASP A 38 -4.605 1.826 5.556 1.00 74.44 C ATOM 585 C ASP A 38 -3.493 2.886 5.456 1.00 65.14 C ATOM 586 O ASP A 38 -3.648 3.907 4.783 1.00 35.42 O ATOM 587 CB ASP A 38 -5.339 1.939 6.897 1.00 74.05 C ATOM 588 CG ASP A 38 -4.507 1.411 8.050 1.00 75.20 C ATOM 589 OD1 ASP A 38 -3.750 2.195 8.657 1.00 31.52 O ATOM 590 OD2 ASP A 38 -4.598 0.201 8.341 1.00 74.45 O ATOM 0 H ASP A 38 -4.257 -0.156 6.174 1.00 72.43 H new ATOM 0 HA ASP A 38 -5.311 2.014 4.747 1.00 74.44 H new ATOM 0 HB2 ASP A 38 -5.594 2.982 7.083 1.00 74.05 H new ATOM 0 HB3 ASP A 38 -6.277 1.386 6.844 1.00 74.05 H new ATOM 595 N LYS A 39 -2.366 2.624 6.120 1.00 71.42 N ATOM 596 CA LYS A 39 -1.199 3.509 6.060 1.00 12.23 C ATOM 597 C LYS A 39 -0.754 3.738 4.604 1.00 73.22 C ATOM 598 O LYS A 39 -0.427 4.858 4.208 1.00 64.12 O ATOM 599 CB LYS A 39 -0.046 2.917 6.891 1.00 21.24 C ATOM 600 CG LYS A 39 1.250 3.718 6.810 1.00 64.32 C ATOM 601 CD LYS A 39 2.338 3.169 7.731 1.00 20.10 C ATOM 602 CE LYS A 39 1.992 3.363 9.204 1.00 42.24 C ATOM 603 NZ LYS A 39 3.127 3.003 10.092 1.00 32.44 N ATOM 0 H LYS A 39 -2.236 1.802 6.709 1.00 71.42 H new ATOM 0 HA LYS A 39 -1.477 4.475 6.480 1.00 12.23 H new ATOM 0 HB2 LYS A 39 -0.358 2.854 7.934 1.00 21.24 H new ATOM 0 HB3 LYS A 39 0.146 1.899 6.554 1.00 21.24 H new ATOM 0 HG2 LYS A 39 1.612 3.713 5.782 1.00 64.32 H new ATOM 0 HG3 LYS A 39 1.048 4.757 7.071 1.00 64.32 H new ATOM 0 HD2 LYS A 39 2.482 2.108 7.529 1.00 20.10 H new ATOM 0 HD3 LYS A 39 3.283 3.666 7.512 1.00 20.10 H new ATOM 0 HE2 LYS A 39 1.711 4.402 9.377 1.00 42.24 H new ATOM 0 HE3 LYS A 39 1.125 2.752 9.457 1.00 42.24 H new ATOM 0 HZ1 LYS A 39 2.851 3.149 11.084 1.00 32.44 H new ATOM 0 HZ2 LYS A 39 3.379 2.005 9.946 1.00 32.44 H new ATOM 0 HZ3 LYS A 39 3.946 3.603 9.869 1.00 32.44 H new ATOM 617 N ILE A 40 -0.773 2.668 3.812 1.00 25.53 N ATOM 618 CA ILE A 40 -0.421 2.736 2.386 1.00 31.34 C ATOM 619 C ILE A 40 -1.305 3.747 1.627 1.00 41.32 C ATOM 620 O ILE A 40 -0.854 4.428 0.706 1.00 4.31 O ATOM 621 CB ILE A 40 -0.572 1.345 1.717 1.00 42.54 C ATOM 622 CG1 ILE A 40 0.259 0.291 2.465 1.00 73.10 C ATOM 623 CG2 ILE A 40 -0.172 1.398 0.245 1.00 61.33 C ATOM 624 CD1 ILE A 40 0.133 -1.109 1.890 1.00 23.21 C ATOM 0 H ILE A 40 -1.030 1.734 4.132 1.00 25.53 H new ATOM 0 HA ILE A 40 0.617 3.064 2.333 1.00 31.34 H new ATOM 0 HB ILE A 40 -1.622 1.058 1.771 1.00 42.54 H new ATOM 0 HG12 ILE A 40 1.307 0.588 2.447 1.00 73.10 H new ATOM 0 HG13 ILE A 40 -0.049 0.274 3.510 1.00 73.10 H new ATOM 0 HG21 ILE A 40 -0.288 0.409 -0.199 1.00 61.33 H new ATOM 0 HG22 ILE A 40 -0.810 2.109 -0.280 1.00 61.33 H new ATOM 0 HG23 ILE A 40 0.868 1.714 0.162 1.00 61.33 H new ATOM 0 HD11 ILE A 40 0.748 -1.797 2.470 1.00 23.21 H new ATOM 0 HD12 ILE A 40 -0.908 -1.428 1.933 1.00 23.21 H new ATOM 0 HD13 ILE A 40 0.469 -1.108 0.853 1.00 23.21 H new ATOM 636 N VAL A 41 -2.570 3.836 2.025 1.00 62.35 N ATOM 637 CA VAL A 41 -3.543 4.712 1.363 1.00 0.11 C ATOM 638 C VAL A 41 -3.445 6.165 1.852 1.00 41.01 C ATOM 639 O VAL A 41 -3.452 7.110 1.056 1.00 34.14 O ATOM 640 CB VAL A 41 -4.985 4.212 1.618 1.00 64.34 C ATOM 641 CG1 VAL A 41 -6.011 5.103 0.918 1.00 41.10 C ATOM 642 CG2 VAL A 41 -5.133 2.751 1.198 1.00 53.03 C ATOM 0 H VAL A 41 -2.952 3.309 2.810 1.00 62.35 H new ATOM 0 HA VAL A 41 -3.310 4.683 0.299 1.00 0.11 H new ATOM 0 HB VAL A 41 -5.180 4.272 2.689 1.00 64.34 H new ATOM 0 HG11 VAL A 41 -7.015 4.727 1.116 1.00 41.10 H new ATOM 0 HG12 VAL A 41 -5.925 6.122 1.295 1.00 41.10 H new ATOM 0 HG13 VAL A 41 -5.826 5.096 -0.156 1.00 41.10 H new ATOM 0 HG21 VAL A 41 -6.154 2.420 1.386 1.00 53.03 H new ATOM 0 HG22 VAL A 41 -4.910 2.653 0.136 1.00 53.03 H new ATOM 0 HG23 VAL A 41 -4.441 2.135 1.772 1.00 53.03 H new ATOM 652 N ASN A 42 -3.349 6.327 3.164 1.00 43.31 N ATOM 653 CA ASN A 42 -3.460 7.641 3.807 1.00 62.25 C ATOM 654 C ASN A 42 -2.166 8.476 3.717 1.00 64.34 C ATOM 655 O ASN A 42 -2.220 9.708 3.766 1.00 65.12 O ATOM 656 CB ASN A 42 -3.879 7.439 5.263 1.00 31.30 C ATOM 657 CG ASN A 42 -5.255 6.790 5.363 1.00 33.51 C ATOM 658 OD1 ASN A 42 -6.163 7.115 4.603 1.00 14.15 O ATOM 659 ND2 ASN A 42 -5.402 5.826 6.249 1.00 61.32 N ATOM 0 H ASN A 42 -3.193 5.558 3.816 1.00 43.31 H new ATOM 0 HA ASN A 42 -4.215 8.215 3.269 1.00 62.25 H new ATOM 0 HB2 ASN A 42 -3.144 6.815 5.771 1.00 31.30 H new ATOM 0 HB3 ASN A 42 -3.891 8.401 5.776 1.00 31.30 H new ATOM 0 HD21 ASN A 42 -6.289 5.327 6.317 1.00 61.32 H new ATOM 0 HD22 ASN A 42 -4.629 5.579 6.867 1.00 61.32 H new ATOM 666 N LEU A 43 -1.012 7.816 3.588 1.00 74.24 N ATOM 667 CA LEU A 43 0.269 8.530 3.459 1.00 43.23 C ATOM 668 C LEU A 43 0.413 9.213 2.085 1.00 24.42 C ATOM 669 O LEU A 43 -0.073 8.704 1.072 1.00 51.32 O ATOM 670 CB LEU A 43 1.453 7.575 3.676 1.00 44.21 C ATOM 671 CG LEU A 43 1.664 7.088 5.117 1.00 20.00 C ATOM 672 CD1 LEU A 43 2.890 6.184 5.199 1.00 1.04 C ATOM 673 CD2 LEU A 43 1.793 8.269 6.080 1.00 62.31 C ATOM 0 H LEU A 43 -0.934 6.799 3.570 1.00 74.24 H new ATOM 0 HA LEU A 43 0.276 9.301 4.229 1.00 43.23 H new ATOM 0 HB2 LEU A 43 1.315 6.704 3.035 1.00 44.21 H new ATOM 0 HB3 LEU A 43 2.363 8.074 3.344 1.00 44.21 H new ATOM 0 HG LEU A 43 0.789 6.509 5.414 1.00 20.00 H new ATOM 0 HD11 LEU A 43 3.026 5.847 6.227 1.00 1.04 H new ATOM 0 HD12 LEU A 43 2.749 5.320 4.550 1.00 1.04 H new ATOM 0 HD13 LEU A 43 3.773 6.738 4.879 1.00 1.04 H new ATOM 0 HD21 LEU A 43 1.942 7.897 7.094 1.00 62.31 H new ATOM 0 HD22 LEU A 43 2.645 8.883 5.790 1.00 62.31 H new ATOM 0 HD23 LEU A 43 0.884 8.869 6.043 1.00 62.31 H new ATOM 685 N PRO A 44 1.076 10.386 2.036 1.00 44.32 N ATOM 686 CA PRO A 44 1.369 11.085 0.771 1.00 12.53 C ATOM 687 C PRO A 44 2.494 10.401 -0.027 1.00 0.33 C ATOM 688 O PRO A 44 3.206 9.548 0.503 1.00 73.13 O ATOM 689 CB PRO A 44 1.805 12.478 1.240 1.00 4.52 C ATOM 690 CG PRO A 44 2.392 12.248 2.592 1.00 42.30 C ATOM 691 CD PRO A 44 1.585 11.132 3.208 1.00 54.01 C ATOM 0 HA PRO A 44 0.514 11.095 0.095 1.00 12.53 H new ATOM 0 HB2 PRO A 44 2.535 12.916 0.559 1.00 4.52 H new ATOM 0 HB3 PRO A 44 0.960 13.165 1.285 1.00 4.52 H new ATOM 0 HG2 PRO A 44 3.445 11.975 2.520 1.00 42.30 H new ATOM 0 HG3 PRO A 44 2.338 13.151 3.200 1.00 42.30 H new ATOM 0 HD2 PRO A 44 2.199 10.500 3.850 1.00 54.01 H new ATOM 0 HD3 PRO A 44 0.772 11.517 3.823 1.00 54.01 H new ATOM 699 N VAL A 45 2.662 10.789 -1.295 1.00 33.32 N ATOM 700 CA VAL A 45 3.663 10.159 -2.173 1.00 34.41 C ATOM 701 C VAL A 45 5.083 10.206 -1.566 1.00 24.31 C ATOM 702 O VAL A 45 5.830 9.231 -1.648 1.00 14.34 O ATOM 703 CB VAL A 45 3.669 10.809 -3.585 1.00 4.54 C ATOM 704 CG1 VAL A 45 4.055 12.285 -3.511 1.00 71.42 C ATOM 705 CG2 VAL A 45 4.595 10.046 -4.532 1.00 64.34 C ATOM 0 H VAL A 45 2.122 11.532 -1.738 1.00 33.32 H new ATOM 0 HA VAL A 45 3.372 9.113 -2.269 1.00 34.41 H new ATOM 0 HB VAL A 45 2.657 10.751 -3.985 1.00 4.54 H new ATOM 0 HG11 VAL A 45 4.051 12.713 -4.513 1.00 71.42 H new ATOM 0 HG12 VAL A 45 3.338 12.818 -2.886 1.00 71.42 H new ATOM 0 HG13 VAL A 45 5.052 12.379 -3.081 1.00 71.42 H new ATOM 0 HG21 VAL A 45 4.582 10.520 -5.514 1.00 64.34 H new ATOM 0 HG22 VAL A 45 5.611 10.058 -4.136 1.00 64.34 H new ATOM 0 HG23 VAL A 45 4.253 9.015 -4.622 1.00 64.34 H new ATOM 715 N ASP A 46 5.436 11.332 -0.940 1.00 41.34 N ATOM 716 CA ASP A 46 6.748 11.498 -0.300 1.00 62.51 C ATOM 717 C ASP A 46 7.018 10.389 0.731 1.00 22.10 C ATOM 718 O ASP A 46 7.957 9.602 0.589 1.00 51.32 O ATOM 719 CB ASP A 46 6.820 12.868 0.385 1.00 32.03 C ATOM 720 CG ASP A 46 6.577 14.009 -0.583 1.00 52.52 C ATOM 721 OD1 ASP A 46 5.404 14.249 -0.941 1.00 3.03 O ATOM 722 OD2 ASP A 46 7.556 14.668 -0.998 1.00 70.41 O ATOM 0 H ASP A 46 4.829 12.148 -0.862 1.00 41.34 H new ATOM 0 HA ASP A 46 7.511 11.430 -1.075 1.00 62.51 H new ATOM 0 HB2 ASP A 46 6.082 12.910 1.186 1.00 32.03 H new ATOM 0 HB3 ASP A 46 7.799 12.989 0.848 1.00 32.03 H new ATOM 727 N ASP A 47 6.176 10.334 1.762 1.00 24.53 N ATOM 728 CA ASP A 47 6.320 9.346 2.832 1.00 11.55 C ATOM 729 C ASP A 47 6.154 7.915 2.281 1.00 61.10 C ATOM 730 O ASP A 47 6.847 6.989 2.707 1.00 12.43 O ATOM 731 CB ASP A 47 5.286 9.627 3.936 1.00 53.00 C ATOM 732 CG ASP A 47 5.683 9.034 5.278 1.00 51.33 C ATOM 733 OD1 ASP A 47 5.610 7.802 5.438 1.00 4.31 O ATOM 734 OD2 ASP A 47 6.086 9.800 6.178 1.00 61.03 O ATOM 0 H ASP A 47 5.383 10.965 1.880 1.00 24.53 H new ATOM 0 HA ASP A 47 7.321 9.426 3.255 1.00 11.55 H new ATOM 0 HB2 ASP A 47 5.159 10.704 4.043 1.00 53.00 H new ATOM 0 HB3 ASP A 47 4.320 9.220 3.635 1.00 53.00 H new ATOM 739 N PHE A 48 5.246 7.757 1.314 1.00 1.44 N ATOM 740 CA PHE A 48 4.985 6.463 0.670 1.00 32.51 C ATOM 741 C PHE A 48 6.259 5.866 0.041 1.00 73.35 C ATOM 742 O PHE A 48 6.590 4.703 0.274 1.00 54.24 O ATOM 743 CB PHE A 48 3.889 6.632 -0.396 1.00 1.05 C ATOM 744 CG PHE A 48 3.598 5.386 -1.197 1.00 60.34 C ATOM 745 CD1 PHE A 48 2.903 4.327 -0.633 1.00 10.44 C ATOM 746 CD2 PHE A 48 4.018 5.277 -2.518 1.00 62.41 C ATOM 747 CE1 PHE A 48 2.634 3.187 -1.368 1.00 5.54 C ATOM 748 CE2 PHE A 48 3.750 4.140 -3.254 1.00 40.13 C ATOM 749 CZ PHE A 48 3.057 3.094 -2.679 1.00 70.44 C ATOM 0 H PHE A 48 4.671 8.519 0.955 1.00 1.44 H new ATOM 0 HA PHE A 48 4.648 5.765 1.436 1.00 32.51 H new ATOM 0 HB2 PHE A 48 2.971 6.957 0.093 1.00 1.05 H new ATOM 0 HB3 PHE A 48 4.184 7.428 -1.080 1.00 1.05 H new ATOM 0 HD1 PHE A 48 2.568 4.393 0.392 1.00 10.44 H new ATOM 0 HD2 PHE A 48 4.561 6.092 -2.974 1.00 62.41 H new ATOM 0 HE1 PHE A 48 2.093 2.369 -0.916 1.00 5.54 H new ATOM 0 HE2 PHE A 48 4.082 4.069 -4.279 1.00 40.13 H new ATOM 0 HZ PHE A 48 2.846 2.204 -3.254 1.00 70.44 H new ATOM 759 N ASN A 49 6.972 6.670 -0.752 1.00 24.14 N ATOM 760 CA ASN A 49 8.215 6.220 -1.394 1.00 43.32 C ATOM 761 C ASN A 49 9.227 5.707 -0.359 1.00 34.12 C ATOM 762 O ASN A 49 9.792 4.621 -0.506 1.00 21.12 O ATOM 763 CB ASN A 49 8.837 7.362 -2.207 1.00 72.20 C ATOM 764 CG ASN A 49 7.968 7.796 -3.374 1.00 64.04 C ATOM 765 OD1 ASN A 49 7.229 7.003 -3.951 1.00 31.33 O ATOM 766 ND2 ASN A 49 8.050 9.061 -3.732 1.00 75.04 N ATOM 0 H ASN A 49 6.713 7.633 -0.966 1.00 24.14 H new ATOM 0 HA ASN A 49 7.964 5.396 -2.062 1.00 43.32 H new ATOM 0 HB2 ASN A 49 9.010 8.216 -1.552 1.00 72.20 H new ATOM 0 HB3 ASN A 49 9.810 7.046 -2.583 1.00 72.20 H new ATOM 0 HD21 ASN A 49 7.489 9.408 -4.510 1.00 75.04 H new ATOM 0 HD22 ASN A 49 8.674 9.693 -3.231 1.00 75.04 H new ATOM 773 N GLU A 50 9.446 6.494 0.694 1.00 60.33 N ATOM 774 CA GLU A 50 10.354 6.095 1.775 1.00 34.23 C ATOM 775 C GLU A 50 9.842 4.841 2.502 1.00 30.11 C ATOM 776 O GLU A 50 10.624 3.960 2.855 1.00 33.53 O ATOM 777 CB GLU A 50 10.538 7.241 2.774 1.00 32.30 C ATOM 778 CG GLU A 50 11.197 8.478 2.176 1.00 21.04 C ATOM 779 CD GLU A 50 11.453 9.562 3.209 1.00 2.34 C ATOM 780 OE1 GLU A 50 12.371 9.388 4.040 1.00 62.15 O ATOM 781 OE2 GLU A 50 10.754 10.593 3.193 1.00 23.32 O ATOM 0 H GLU A 50 9.011 7.407 0.824 1.00 60.33 H new ATOM 0 HA GLU A 50 11.318 5.858 1.325 1.00 34.23 H new ATOM 0 HB2 GLU A 50 9.564 7.519 3.178 1.00 32.30 H new ATOM 0 HB3 GLU A 50 11.141 6.888 3.611 1.00 32.30 H new ATOM 0 HG2 GLU A 50 12.141 8.193 1.712 1.00 21.04 H new ATOM 0 HG3 GLU A 50 10.561 8.877 1.386 1.00 21.04 H new ATOM 788 N LEU A 51 8.525 4.762 2.703 1.00 13.32 N ATOM 789 CA LEU A 51 7.895 3.606 3.361 1.00 34.34 C ATOM 790 C LEU A 51 8.280 2.299 2.650 1.00 10.05 C ATOM 791 O LEU A 51 8.595 1.296 3.289 1.00 52.51 O ATOM 792 CB LEU A 51 6.366 3.780 3.367 1.00 20.21 C ATOM 793 CG LEU A 51 5.559 2.640 4.016 1.00 53.10 C ATOM 794 CD1 LEU A 51 5.873 2.524 5.508 1.00 20.23 C ATOM 795 CD2 LEU A 51 4.060 2.846 3.790 1.00 63.42 C ATOM 0 H LEU A 51 7.867 5.488 2.419 1.00 13.32 H new ATOM 0 HA LEU A 51 8.253 3.551 4.389 1.00 34.34 H new ATOM 0 HB2 LEU A 51 6.128 4.708 3.886 1.00 20.21 H new ATOM 0 HB3 LEU A 51 6.029 3.896 2.337 1.00 20.21 H new ATOM 0 HG LEU A 51 5.852 1.704 3.540 1.00 53.10 H new ATOM 0 HD11 LEU A 51 5.289 1.711 5.941 1.00 20.23 H new ATOM 0 HD12 LEU A 51 6.935 2.319 5.641 1.00 20.23 H new ATOM 0 HD13 LEU A 51 5.619 3.459 6.007 1.00 20.23 H new ATOM 0 HD21 LEU A 51 3.506 2.031 4.256 1.00 63.42 H new ATOM 0 HD22 LEU A 51 3.752 3.793 4.233 1.00 63.42 H new ATOM 0 HD23 LEU A 51 3.852 2.861 2.720 1.00 63.42 H new ATOM 807 N LEU A 52 8.263 2.327 1.320 1.00 74.23 N ATOM 808 CA LEU A 52 8.682 1.175 0.516 1.00 63.55 C ATOM 809 C LEU A 52 10.172 0.861 0.729 1.00 30.04 C ATOM 810 O LEU A 52 10.548 -0.254 1.090 1.00 61.41 O ATOM 811 CB LEU A 52 8.424 1.456 -0.971 1.00 31.33 C ATOM 812 CG LEU A 52 6.983 1.856 -1.330 1.00 64.24 C ATOM 813 CD1 LEU A 52 6.839 2.061 -2.837 1.00 63.35 C ATOM 814 CD2 LEU A 52 5.991 0.815 -0.822 1.00 51.34 C ATOM 0 H LEU A 52 7.964 3.134 0.773 1.00 74.23 H new ATOM 0 HA LEU A 52 8.100 0.310 0.834 1.00 63.55 H new ATOM 0 HB2 LEU A 52 9.095 2.252 -1.294 1.00 31.33 H new ATOM 0 HB3 LEU A 52 8.688 0.566 -1.542 1.00 31.33 H new ATOM 0 HG LEU A 52 6.758 2.802 -0.838 1.00 64.24 H new ATOM 0 HD11 LEU A 52 5.812 2.343 -3.069 1.00 63.35 H new ATOM 0 HD12 LEU A 52 7.515 2.851 -3.163 1.00 63.35 H new ATOM 0 HD13 LEU A 52 7.087 1.135 -3.356 1.00 63.35 H new ATOM 0 HD21 LEU A 52 4.978 1.118 -1.087 1.00 51.34 H new ATOM 0 HD22 LEU A 52 6.212 -0.150 -1.277 1.00 51.34 H new ATOM 0 HD23 LEU A 52 6.073 0.732 0.262 1.00 51.34 H new ATOM 826 N ALA A 53 11.009 1.873 0.517 1.00 54.02 N ATOM 827 CA ALA A 53 12.466 1.731 0.627 1.00 14.24 C ATOM 828 C ALA A 53 12.930 1.309 2.036 1.00 43.34 C ATOM 829 O ALA A 53 13.992 0.702 2.185 1.00 54.12 O ATOM 830 CB ALA A 53 13.142 3.038 0.223 1.00 53.41 C ATOM 0 H ALA A 53 10.703 2.813 0.265 1.00 54.02 H new ATOM 0 HA ALA A 53 12.759 0.929 -0.050 1.00 14.24 H new ATOM 0 HB1 ALA A 53 14.223 2.929 0.306 1.00 53.41 H new ATOM 0 HB2 ALA A 53 12.880 3.280 -0.807 1.00 53.41 H new ATOM 0 HB3 ALA A 53 12.807 3.840 0.881 1.00 53.41 H new ATOM 836 N ARG A 54 12.152 1.643 3.066 1.00 2.24 N ATOM 837 CA ARG A 54 12.516 1.308 4.453 1.00 45.51 C ATOM 838 C ARG A 54 12.259 -0.173 4.781 1.00 74.13 C ATOM 839 O ARG A 54 12.963 -0.769 5.602 1.00 12.54 O ATOM 840 CB ARG A 54 11.745 2.202 5.439 1.00 15.44 C ATOM 841 CG ARG A 54 12.173 3.669 5.415 1.00 25.31 C ATOM 842 CD ARG A 54 11.374 4.511 6.407 1.00 14.40 C ATOM 843 NE ARG A 54 11.538 4.052 7.788 1.00 24.44 N ATOM 844 CZ ARG A 54 10.839 4.495 8.802 1.00 73.42 C ATOM 845 NH1 ARG A 54 9.946 5.419 8.635 1.00 64.44 N ATOM 846 NH2 ARG A 54 11.052 4.026 9.988 1.00 50.33 N ATOM 0 H ARG A 54 11.268 2.143 2.972 1.00 2.24 H new ATOM 0 HA ARG A 54 13.586 1.488 4.555 1.00 45.51 H new ATOM 0 HB2 ARG A 54 10.681 2.141 5.212 1.00 15.44 H new ATOM 0 HB3 ARG A 54 11.879 1.812 6.448 1.00 15.44 H new ATOM 0 HG2 ARG A 54 13.235 3.741 5.650 1.00 25.31 H new ATOM 0 HG3 ARG A 54 12.041 4.069 4.410 1.00 25.31 H new ATOM 0 HD2 ARG A 54 11.690 5.552 6.333 1.00 14.40 H new ATOM 0 HD3 ARG A 54 10.318 4.478 6.139 1.00 14.40 H new ATOM 0 HE ARG A 54 12.244 3.339 7.972 1.00 24.44 H new ATOM 0 HH11 ARG A 54 9.782 5.808 7.706 1.00 64.44 H new ATOM 0 HH12 ARG A 54 9.407 5.757 9.432 1.00 64.44 H new ATOM 0 HH21 ARG A 54 11.765 3.311 10.133 1.00 50.33 H new ATOM 0 HH22 ARG A 54 10.507 4.371 10.778 1.00 50.33 H new ATOM 860 N TYR A 55 11.252 -0.765 4.143 1.00 54.35 N ATOM 861 CA TYR A 55 10.865 -2.156 4.425 1.00 73.03 C ATOM 862 C TYR A 55 11.398 -3.132 3.360 1.00 3.12 C ATOM 863 O TYR A 55 11.360 -2.844 2.160 1.00 31.34 O ATOM 864 CB TYR A 55 9.338 -2.269 4.538 1.00 63.12 C ATOM 865 CG TYR A 55 8.772 -1.593 5.778 1.00 11.11 C ATOM 866 CD1 TYR A 55 8.747 -0.206 5.896 1.00 11.34 C ATOM 867 CD2 TYR A 55 8.272 -2.345 6.835 1.00 22.41 C ATOM 868 CE1 TYR A 55 8.239 0.408 7.026 1.00 44.55 C ATOM 869 CE2 TYR A 55 7.762 -1.738 7.967 1.00 35.35 C ATOM 870 CZ TYR A 55 7.748 -0.359 8.058 1.00 24.13 C ATOM 871 OH TYR A 55 7.238 0.254 9.184 1.00 42.11 O ATOM 0 H TYR A 55 10.686 -0.309 3.427 1.00 54.35 H new ATOM 0 HA TYR A 55 11.318 -2.436 5.376 1.00 73.03 H new ATOM 0 HB2 TYR A 55 8.882 -1.827 3.652 1.00 63.12 H new ATOM 0 HB3 TYR A 55 9.059 -3.323 4.548 1.00 63.12 H new ATOM 0 HD1 TYR A 55 9.131 0.402 5.090 1.00 11.34 H new ATOM 0 HD2 TYR A 55 8.282 -3.423 6.770 1.00 22.41 H new ATOM 0 HE1 TYR A 55 8.228 1.485 7.099 1.00 44.55 H new ATOM 0 HE2 TYR A 55 7.376 -2.339 8.777 1.00 35.35 H new ATOM 0 HH TYR A 55 6.932 -0.428 9.817 1.00 42.11 H new ATOM 881 N PRO A 56 11.909 -4.305 3.788 1.00 41.44 N ATOM 882 CA PRO A 56 12.434 -5.324 2.862 1.00 31.23 C ATOM 883 C PRO A 56 11.335 -5.964 1.993 1.00 42.11 C ATOM 884 O PRO A 56 10.798 -7.028 2.320 1.00 5.55 O ATOM 885 CB PRO A 56 13.073 -6.361 3.797 1.00 25.32 C ATOM 886 CG PRO A 56 12.359 -6.192 5.098 1.00 10.31 C ATOM 887 CD PRO A 56 12.023 -4.729 5.201 1.00 61.53 C ATOM 0 HA PRO A 56 13.133 -4.897 2.142 1.00 31.23 H new ATOM 0 HB2 PRO A 56 12.952 -7.372 3.408 1.00 25.32 H new ATOM 0 HB3 PRO A 56 14.143 -6.188 3.908 1.00 25.32 H new ATOM 0 HG2 PRO A 56 11.457 -6.803 5.130 1.00 10.31 H new ATOM 0 HG3 PRO A 56 12.987 -6.508 5.931 1.00 10.31 H new ATOM 0 HD2 PRO A 56 11.093 -4.567 5.746 1.00 61.53 H new ATOM 0 HD3 PRO A 56 12.800 -4.174 5.726 1.00 61.53 H new ATOM 895 N LEU A 57 10.997 -5.295 0.893 1.00 41.41 N ATOM 896 CA LEU A 57 9.946 -5.763 -0.019 1.00 44.40 C ATOM 897 C LEU A 57 10.521 -6.213 -1.367 1.00 5.12 C ATOM 898 O LEU A 57 11.471 -5.615 -1.883 1.00 71.03 O ATOM 899 CB LEU A 57 8.921 -4.646 -0.256 1.00 62.30 C ATOM 900 CG LEU A 57 8.200 -4.127 0.997 1.00 14.31 C ATOM 901 CD1 LEU A 57 7.261 -2.977 0.637 1.00 21.31 C ATOM 902 CD2 LEU A 57 7.438 -5.253 1.695 1.00 34.13 C ATOM 0 H LEU A 57 11.437 -4.420 0.607 1.00 41.41 H new ATOM 0 HA LEU A 57 9.464 -6.621 0.451 1.00 44.40 H new ATOM 0 HB2 LEU A 57 9.428 -3.808 -0.734 1.00 62.30 H new ATOM 0 HB3 LEU A 57 8.172 -5.009 -0.960 1.00 62.30 H new ATOM 0 HG LEU A 57 8.952 -3.751 1.691 1.00 14.31 H new ATOM 0 HD11 LEU A 57 6.759 -2.622 1.537 1.00 21.31 H new ATOM 0 HD12 LEU A 57 7.836 -2.162 0.197 1.00 21.31 H new ATOM 0 HD13 LEU A 57 6.517 -3.325 -0.080 1.00 21.31 H new ATOM 0 HD21 LEU A 57 6.936 -4.859 2.579 1.00 34.13 H new ATOM 0 HD22 LEU A 57 6.697 -5.669 1.012 1.00 34.13 H new ATOM 0 HD23 LEU A 57 8.136 -6.035 1.992 1.00 34.13 H new ATOM 914 N THR A 58 9.938 -7.266 -1.931 1.00 51.23 N ATOM 915 CA THR A 58 10.293 -7.726 -3.280 1.00 4.15 C ATOM 916 C THR A 58 9.584 -6.882 -4.347 1.00 25.30 C ATOM 917 O THR A 58 8.721 -6.059 -4.033 1.00 1.12 O ATOM 918 CB THR A 58 9.903 -9.206 -3.508 1.00 31.22 C ATOM 919 OG1 THR A 58 8.470 -9.329 -3.519 1.00 70.24 O ATOM 920 CG2 THR A 58 10.497 -10.107 -2.426 1.00 42.50 C ATOM 0 H THR A 58 9.214 -7.823 -1.477 1.00 51.23 H new ATOM 0 HA THR A 58 11.375 -7.621 -3.366 1.00 4.15 H new ATOM 0 HB THR A 58 10.306 -9.525 -4.469 1.00 31.22 H new ATOM 0 HG1 THR A 58 8.189 -9.807 -4.327 1.00 70.24 H new ATOM 0 HG21 THR A 58 10.206 -11.141 -2.613 1.00 42.50 H new ATOM 0 HG22 THR A 58 11.584 -10.028 -2.443 1.00 42.50 H new ATOM 0 HG23 THR A 58 10.126 -9.796 -1.449 1.00 42.50 H new ATOM 928 N GLU A 59 9.934 -7.104 -5.611 1.00 14.54 N ATOM 929 CA GLU A 59 9.308 -6.382 -6.725 1.00 44.30 C ATOM 930 C GLU A 59 7.817 -6.738 -6.841 1.00 4.11 C ATOM 931 O GLU A 59 6.996 -5.908 -7.246 1.00 23.22 O ATOM 932 CB GLU A 59 10.044 -6.698 -8.033 1.00 13.13 C ATOM 933 CG GLU A 59 11.528 -6.350 -7.991 1.00 21.00 C ATOM 934 CD GLU A 59 12.268 -6.731 -9.262 1.00 3.11 C ATOM 935 OE1 GLU A 59 12.611 -7.920 -9.421 1.00 71.14 O ATOM 936 OE2 GLU A 59 12.522 -5.843 -10.098 1.00 23.24 O ATOM 0 H GLU A 59 10.647 -7.777 -5.894 1.00 14.54 H new ATOM 0 HA GLU A 59 9.381 -5.312 -6.530 1.00 44.30 H new ATOM 0 HB2 GLU A 59 9.933 -7.759 -8.257 1.00 13.13 H new ATOM 0 HB3 GLU A 59 9.573 -6.149 -8.848 1.00 13.13 H new ATOM 0 HG2 GLU A 59 11.639 -5.279 -7.821 1.00 21.00 H new ATOM 0 HG3 GLU A 59 11.990 -6.857 -7.144 1.00 21.00 H new ATOM 943 N SER A 60 7.478 -7.972 -6.464 1.00 53.11 N ATOM 944 CA SER A 60 6.082 -8.430 -6.445 1.00 35.33 C ATOM 945 C SER A 60 5.305 -7.805 -5.274 1.00 63.21 C ATOM 946 O SER A 60 4.157 -7.387 -5.433 1.00 21.40 O ATOM 947 CB SER A 60 6.025 -9.961 -6.356 1.00 15.21 C ATOM 948 OG SER A 60 6.743 -10.436 -5.229 1.00 42.42 O ATOM 0 H SER A 60 8.152 -8.677 -6.166 1.00 53.11 H new ATOM 0 HA SER A 60 5.612 -8.108 -7.374 1.00 35.33 H new ATOM 0 HB2 SER A 60 4.986 -10.286 -6.292 1.00 15.21 H new ATOM 0 HB3 SER A 60 6.440 -10.397 -7.265 1.00 15.21 H new ATOM 0 HG SER A 60 6.689 -11.414 -5.195 1.00 42.42 H new ATOM 954 N GLN A 61 5.932 -7.745 -4.096 1.00 10.41 N ATOM 955 CA GLN A 61 5.320 -7.085 -2.931 1.00 52.04 C ATOM 956 C GLN A 61 5.067 -5.598 -3.214 1.00 54.22 C ATOM 957 O GLN A 61 3.969 -5.089 -2.978 1.00 21.24 O ATOM 958 CB GLN A 61 6.203 -7.240 -1.683 1.00 33.44 C ATOM 959 CG GLN A 61 6.408 -8.687 -1.247 1.00 3.52 C ATOM 960 CD GLN A 61 7.220 -8.806 0.033 1.00 31.42 C ATOM 961 OE1 GLN A 61 8.441 -8.867 0.001 1.00 71.05 O ATOM 962 NE2 GLN A 61 6.549 -8.857 1.168 1.00 1.53 N ATOM 0 H GLN A 61 6.856 -8.141 -3.920 1.00 10.41 H new ATOM 0 HA GLN A 61 4.363 -7.572 -2.741 1.00 52.04 H new ATOM 0 HB2 GLN A 61 7.176 -6.789 -1.880 1.00 33.44 H new ATOM 0 HB3 GLN A 61 5.754 -6.683 -0.861 1.00 33.44 H new ATOM 0 HG2 GLN A 61 5.436 -9.159 -1.101 1.00 3.52 H new ATOM 0 HG3 GLN A 61 6.912 -9.234 -2.044 1.00 3.52 H new ATOM 0 HE21 GLN A 61 5.530 -8.804 1.161 1.00 1.53 H new ATOM 0 HE22 GLN A 61 7.049 -8.950 2.052 1.00 1.53 H new ATOM 971 N LEU A 62 6.089 -4.909 -3.726 1.00 13.12 N ATOM 972 CA LEU A 62 5.954 -3.503 -4.130 1.00 5.51 C ATOM 973 C LEU A 62 4.812 -3.315 -5.143 1.00 11.22 C ATOM 974 O LEU A 62 4.054 -2.349 -5.063 1.00 54.30 O ATOM 975 CB LEU A 62 7.275 -2.983 -4.722 1.00 63.30 C ATOM 976 CG LEU A 62 8.411 -2.751 -3.709 1.00 64.12 C ATOM 977 CD1 LEU A 62 9.699 -2.345 -4.419 1.00 45.11 C ATOM 978 CD2 LEU A 62 8.008 -1.697 -2.684 1.00 14.34 C ATOM 0 H LEU A 62 7.020 -5.299 -3.872 1.00 13.12 H new ATOM 0 HA LEU A 62 5.712 -2.926 -3.237 1.00 5.51 H new ATOM 0 HB2 LEU A 62 7.621 -3.694 -5.473 1.00 63.30 H new ATOM 0 HB3 LEU A 62 7.076 -2.044 -5.239 1.00 63.30 H new ATOM 0 HG LEU A 62 8.595 -3.689 -3.185 1.00 64.12 H new ATOM 0 HD11 LEU A 62 10.486 -2.187 -3.682 1.00 45.11 H new ATOM 0 HD12 LEU A 62 10.000 -3.135 -5.107 1.00 45.11 H new ATOM 0 HD13 LEU A 62 9.532 -1.423 -4.976 1.00 45.11 H new ATOM 0 HD21 LEU A 62 8.824 -1.547 -1.977 1.00 14.34 H new ATOM 0 HD22 LEU A 62 7.792 -0.758 -3.193 1.00 14.34 H new ATOM 0 HD23 LEU A 62 7.120 -2.032 -2.148 1.00 14.34 H new ATOM 990 N ALA A 63 4.692 -4.248 -6.088 1.00 20.32 N ATOM 991 CA ALA A 63 3.594 -4.226 -7.063 1.00 72.44 C ATOM 992 C ALA A 63 2.226 -4.226 -6.358 1.00 40.42 C ATOM 993 O ALA A 63 1.329 -3.459 -6.717 1.00 71.12 O ATOM 994 CB ALA A 63 3.706 -5.414 -8.014 1.00 11.41 C ATOM 0 H ALA A 63 5.339 -5.028 -6.201 1.00 20.32 H new ATOM 0 HA ALA A 63 3.673 -3.306 -7.642 1.00 72.44 H new ATOM 0 HB1 ALA A 63 2.886 -5.385 -8.731 1.00 11.41 H new ATOM 0 HB2 ALA A 63 4.656 -5.365 -8.547 1.00 11.41 H new ATOM 0 HB3 ALA A 63 3.657 -6.342 -7.444 1.00 11.41 H new ATOM 1000 N LEU A 64 2.083 -5.080 -5.343 1.00 23.53 N ATOM 1001 CA LEU A 64 0.851 -5.138 -4.548 1.00 32.25 C ATOM 1002 C LEU A 64 0.592 -3.813 -3.816 1.00 54.11 C ATOM 1003 O LEU A 64 -0.518 -3.284 -3.850 1.00 23.42 O ATOM 1004 CB LEU A 64 0.917 -6.276 -3.521 1.00 24.21 C ATOM 1005 CG LEU A 64 -0.325 -6.407 -2.618 1.00 61.25 C ATOM 1006 CD1 LEU A 64 -1.538 -6.867 -3.427 1.00 11.12 C ATOM 1007 CD2 LEU A 64 -0.057 -7.351 -1.449 1.00 21.21 C ATOM 0 H LEU A 64 2.803 -5.741 -5.051 1.00 23.53 H new ATOM 0 HA LEU A 64 0.031 -5.322 -5.242 1.00 32.25 H new ATOM 0 HB2 LEU A 64 1.063 -7.217 -4.052 1.00 24.21 H new ATOM 0 HB3 LEU A 64 1.793 -6.126 -2.890 1.00 24.21 H new ATOM 0 HG LEU A 64 -0.547 -5.423 -2.206 1.00 61.25 H new ATOM 0 HD11 LEU A 64 -2.403 -6.953 -2.769 1.00 11.12 H new ATOM 0 HD12 LEU A 64 -1.749 -6.140 -4.211 1.00 11.12 H new ATOM 0 HD13 LEU A 64 -1.328 -7.837 -3.878 1.00 11.12 H new ATOM 0 HD21 LEU A 64 -0.950 -7.425 -0.829 1.00 21.21 H new ATOM 0 HD22 LEU A 64 0.202 -8.339 -1.831 1.00 21.21 H new ATOM 0 HD23 LEU A 64 0.769 -6.965 -0.852 1.00 21.21 H new ATOM 1019 N VAL A 65 1.623 -3.290 -3.148 1.00 14.33 N ATOM 1020 CA VAL A 65 1.505 -2.029 -2.402 1.00 35.22 C ATOM 1021 C VAL A 65 1.003 -0.892 -3.310 1.00 50.02 C ATOM 1022 O VAL A 65 0.143 -0.100 -2.921 1.00 71.20 O ATOM 1023 CB VAL A 65 2.858 -1.611 -1.768 1.00 35.53 C ATOM 1024 CG1 VAL A 65 2.690 -0.357 -0.909 1.00 22.14 C ATOM 1025 CG2 VAL A 65 3.456 -2.754 -0.944 1.00 32.14 C ATOM 0 H VAL A 65 2.548 -3.717 -3.107 1.00 14.33 H new ATOM 0 HA VAL A 65 0.781 -2.203 -1.606 1.00 35.22 H new ATOM 0 HB VAL A 65 3.550 -1.381 -2.578 1.00 35.53 H new ATOM 0 HG11 VAL A 65 3.651 -0.082 -0.474 1.00 22.14 H new ATOM 0 HG12 VAL A 65 2.324 0.462 -1.528 1.00 22.14 H new ATOM 0 HG13 VAL A 65 1.975 -0.556 -0.111 1.00 22.14 H new ATOM 0 HG21 VAL A 65 4.404 -2.433 -0.511 1.00 32.14 H new ATOM 0 HG22 VAL A 65 2.766 -3.026 -0.145 1.00 32.14 H new ATOM 0 HG23 VAL A 65 3.625 -3.617 -1.588 1.00 32.14 H new ATOM 1035 N ARG A 66 1.544 -0.831 -4.529 1.00 2.42 N ATOM 1036 CA ARG A 66 1.135 0.173 -5.522 1.00 13.22 C ATOM 1037 C ARG A 66 -0.357 0.043 -5.888 1.00 32.24 C ATOM 1038 O ARG A 66 -1.034 1.044 -6.148 1.00 22.03 O ATOM 1039 CB ARG A 66 1.995 0.038 -6.788 1.00 3.03 C ATOM 1040 CG ARG A 66 3.475 0.341 -6.564 1.00 4.43 C ATOM 1041 CD ARG A 66 4.323 0.020 -7.794 1.00 0.31 C ATOM 1042 NE ARG A 66 3.908 0.776 -8.978 1.00 71.44 N ATOM 1043 CZ ARG A 66 4.731 1.233 -9.885 1.00 30.12 C ATOM 1044 NH1 ARG A 66 6.008 1.040 -9.777 1.00 73.14 N ATOM 1045 NH2 ARG A 66 4.267 1.882 -10.904 1.00 42.32 N ATOM 0 H ARG A 66 2.271 -1.468 -4.856 1.00 2.42 H new ATOM 0 HA ARG A 66 1.284 1.157 -5.078 1.00 13.22 H new ATOM 0 HB2 ARG A 66 1.896 -0.976 -7.176 1.00 3.03 H new ATOM 0 HB3 ARG A 66 1.608 0.712 -7.552 1.00 3.03 H new ATOM 0 HG2 ARG A 66 3.594 1.394 -6.308 1.00 4.43 H new ATOM 0 HG3 ARG A 66 3.838 -0.237 -5.714 1.00 4.43 H new ATOM 0 HD2 ARG A 66 5.369 0.238 -7.577 1.00 0.31 H new ATOM 0 HD3 ARG A 66 4.257 -1.047 -8.007 1.00 0.31 H new ATOM 0 HE ARG A 66 2.912 0.958 -9.103 1.00 71.44 H new ATOM 0 HH11 ARG A 66 6.380 0.527 -8.978 1.00 73.14 H new ATOM 0 HH12 ARG A 66 6.641 1.401 -10.491 1.00 73.14 H new ATOM 0 HH21 ARG A 66 3.263 2.035 -10.997 1.00 42.32 H new ATOM 0 HH22 ARG A 66 4.905 2.240 -11.614 1.00 42.32 H new ATOM 1059 N ASP A 67 -0.858 -1.190 -5.915 1.00 10.21 N ATOM 1060 CA ASP A 67 -2.270 -1.445 -6.219 1.00 4.43 C ATOM 1061 C ASP A 67 -3.169 -1.111 -5.013 1.00 21.32 C ATOM 1062 O ASP A 67 -4.146 -0.374 -5.148 1.00 22.11 O ATOM 1063 CB ASP A 67 -2.466 -2.903 -6.655 1.00 52.35 C ATOM 1064 CG ASP A 67 -3.910 -3.209 -7.018 1.00 15.03 C ATOM 1065 OD1 ASP A 67 -4.340 -2.866 -8.141 1.00 14.34 O ATOM 1066 OD2 ASP A 67 -4.632 -3.783 -6.176 1.00 63.32 O ATOM 0 H ASP A 67 -0.310 -2.030 -5.730 1.00 10.21 H new ATOM 0 HA ASP A 67 -2.563 -0.793 -7.042 1.00 4.43 H new ATOM 0 HB2 ASP A 67 -1.826 -3.112 -7.512 1.00 52.35 H new ATOM 0 HB3 ASP A 67 -2.148 -3.566 -5.850 1.00 52.35 H new ATOM 1071 N ILE A 68 -2.826 -1.642 -3.835 1.00 32.43 N ATOM 1072 CA ILE A 68 -3.590 -1.371 -2.605 1.00 41.01 C ATOM 1073 C ILE A 68 -3.724 0.142 -2.353 1.00 34.30 C ATOM 1074 O ILE A 68 -4.804 0.630 -2.005 1.00 22.53 O ATOM 1075 CB ILE A 68 -2.938 -2.042 -1.365 1.00 42.03 C ATOM 1076 CG1 ILE A 68 -2.934 -3.574 -1.522 1.00 11.12 C ATOM 1077 CG2 ILE A 68 -3.663 -1.633 -0.081 1.00 14.45 C ATOM 1078 CD1 ILE A 68 -2.339 -4.314 -0.338 1.00 23.34 C ATOM 0 H ILE A 68 -2.026 -2.261 -3.704 1.00 32.43 H new ATOM 0 HA ILE A 68 -4.582 -1.798 -2.753 1.00 41.01 H new ATOM 0 HB ILE A 68 -1.906 -1.700 -1.294 1.00 42.03 H new ATOM 0 HG12 ILE A 68 -3.958 -3.916 -1.674 1.00 11.12 H new ATOM 0 HG13 ILE A 68 -2.374 -3.836 -2.420 1.00 11.12 H new ATOM 0 HG21 ILE A 68 -3.189 -2.115 0.774 1.00 14.45 H new ATOM 0 HG22 ILE A 68 -3.611 -0.551 0.038 1.00 14.45 H new ATOM 0 HG23 ILE A 68 -4.707 -1.941 -0.139 1.00 14.45 H new ATOM 0 HD11 ILE A 68 -2.373 -5.387 -0.525 1.00 23.34 H new ATOM 0 HD12 ILE A 68 -1.304 -4.003 -0.197 1.00 23.34 H new ATOM 0 HD13 ILE A 68 -2.912 -4.084 0.560 1.00 23.34 H new ATOM 1090 N ARG A 69 -2.621 0.871 -2.543 1.00 51.30 N ATOM 1091 CA ARG A 69 -2.619 2.338 -2.452 1.00 4.03 C ATOM 1092 C ARG A 69 -3.784 2.915 -3.277 1.00 64.41 C ATOM 1093 O ARG A 69 -4.519 3.791 -2.820 1.00 42.01 O ATOM 1094 CB ARG A 69 -1.266 2.881 -2.973 1.00 25.43 C ATOM 1095 CG ARG A 69 -0.867 4.280 -2.475 1.00 14.03 C ATOM 1096 CD ARG A 69 -1.847 5.377 -2.896 1.00 44.11 C ATOM 1097 NE ARG A 69 -1.286 6.725 -2.763 1.00 70.13 N ATOM 1098 CZ ARG A 69 -1.037 7.327 -1.625 1.00 51.14 C ATOM 1099 NH1 ARG A 69 -1.157 6.707 -0.496 1.00 25.20 N ATOM 1100 NH2 ARG A 69 -0.628 8.552 -1.617 1.00 41.44 N ATOM 0 H ARG A 69 -1.710 0.468 -2.763 1.00 51.30 H new ATOM 0 HA ARG A 69 -2.748 2.641 -1.413 1.00 4.03 H new ATOM 0 HB2 ARG A 69 -0.482 2.179 -2.691 1.00 25.43 H new ATOM 0 HB3 ARG A 69 -1.300 2.900 -4.062 1.00 25.43 H new ATOM 0 HG2 ARG A 69 -0.796 4.264 -1.387 1.00 14.03 H new ATOM 0 HG3 ARG A 69 0.125 4.524 -2.855 1.00 14.03 H new ATOM 0 HD2 ARG A 69 -2.145 5.213 -3.932 1.00 44.11 H new ATOM 0 HD3 ARG A 69 -2.750 5.303 -2.290 1.00 44.11 H new ATOM 0 HE ARG A 69 -1.073 7.233 -3.621 1.00 70.13 H new ATOM 0 HH11 ARG A 69 -1.450 5.730 -0.479 1.00 25.20 H new ATOM 0 HH12 ARG A 69 -0.958 7.195 0.377 1.00 25.20 H new ATOM 0 HH21 ARG A 69 -0.498 9.052 -2.496 1.00 41.44 H new ATOM 0 HH22 ARG A 69 -0.435 9.019 -0.731 1.00 41.44 H new ATOM 1114 N ARG A 70 -3.949 2.392 -4.488 1.00 53.32 N ATOM 1115 CA ARG A 70 -4.991 2.853 -5.406 1.00 22.01 C ATOM 1116 C ARG A 70 -6.386 2.361 -4.980 1.00 62.30 C ATOM 1117 O ARG A 70 -7.367 3.097 -5.071 1.00 30.40 O ATOM 1118 CB ARG A 70 -4.671 2.364 -6.825 1.00 45.43 C ATOM 1119 CG ARG A 70 -5.589 2.932 -7.904 1.00 64.22 C ATOM 1120 CD ARG A 70 -5.250 2.382 -9.287 1.00 32.43 C ATOM 1121 NE ARG A 70 -3.832 2.539 -9.611 1.00 73.43 N ATOM 1122 CZ ARG A 70 -3.369 2.708 -10.817 1.00 52.14 C ATOM 1123 NH1 ARG A 70 -4.172 2.830 -11.823 1.00 64.14 N ATOM 1124 NH2 ARG A 70 -2.094 2.776 -11.008 1.00 71.31 N ATOM 0 H ARG A 70 -3.369 1.641 -4.861 1.00 53.32 H new ATOM 0 HA ARG A 70 -5.007 3.943 -5.383 1.00 22.01 H new ATOM 0 HB2 ARG A 70 -3.641 2.628 -7.064 1.00 45.43 H new ATOM 0 HB3 ARG A 70 -4.735 1.276 -6.845 1.00 45.43 H new ATOM 0 HG2 ARG A 70 -6.625 2.693 -7.662 1.00 64.22 H new ATOM 0 HG3 ARG A 70 -5.507 4.019 -7.915 1.00 64.22 H new ATOM 0 HD2 ARG A 70 -5.517 1.326 -9.332 1.00 32.43 H new ATOM 0 HD3 ARG A 70 -5.852 2.895 -10.038 1.00 32.43 H new ATOM 0 HE ARG A 70 -3.162 2.515 -8.842 1.00 73.43 H new ATOM 0 HH11 ARG A 70 -5.181 2.794 -11.677 1.00 64.14 H new ATOM 0 HH12 ARG A 70 -3.797 2.962 -12.762 1.00 64.14 H new ATOM 0 HH21 ARG A 70 -1.455 2.697 -10.217 1.00 71.31 H new ATOM 0 HH22 ARG A 70 -1.726 2.908 -11.950 1.00 71.31 H new ATOM 1138 N ARG A 71 -6.465 1.116 -4.507 1.00 22.01 N ATOM 1139 CA ARG A 71 -7.748 0.517 -4.102 1.00 63.24 C ATOM 1140 C ARG A 71 -8.425 1.332 -2.996 1.00 2.31 C ATOM 1141 O ARG A 71 -9.608 1.669 -3.090 1.00 12.45 O ATOM 1142 CB ARG A 71 -7.545 -0.933 -3.634 1.00 73.04 C ATOM 1143 CG ARG A 71 -6.922 -1.836 -4.693 1.00 32.44 C ATOM 1144 CD ARG A 71 -7.783 -1.941 -5.949 1.00 63.34 C ATOM 1145 NE ARG A 71 -7.071 -2.611 -7.032 1.00 52.44 N ATOM 1146 CZ ARG A 71 -7.637 -3.155 -8.071 1.00 25.14 C ATOM 1147 NH1 ARG A 71 -8.927 -3.156 -8.204 1.00 21.44 N ATOM 1148 NH2 ARG A 71 -6.901 -3.704 -8.978 1.00 30.12 N ATOM 0 H ARG A 71 -5.660 0.500 -4.393 1.00 22.01 H new ATOM 0 HA ARG A 71 -8.400 0.522 -4.975 1.00 63.24 H new ATOM 0 HB2 ARG A 71 -6.910 -0.934 -2.748 1.00 73.04 H new ATOM 0 HB3 ARG A 71 -8.508 -1.348 -3.336 1.00 73.04 H new ATOM 0 HG2 ARG A 71 -5.938 -1.451 -4.962 1.00 32.44 H new ATOM 0 HG3 ARG A 71 -6.772 -2.831 -4.275 1.00 32.44 H new ATOM 0 HD2 ARG A 71 -8.697 -2.489 -5.720 1.00 63.34 H new ATOM 0 HD3 ARG A 71 -8.081 -0.943 -6.271 1.00 63.34 H new ATOM 0 HE ARG A 71 -6.054 -2.657 -6.971 1.00 52.44 H new ATOM 0 HH11 ARG A 71 -9.514 -2.726 -7.489 1.00 21.44 H new ATOM 0 HH12 ARG A 71 -9.355 -3.586 -9.024 1.00 21.44 H new ATOM 0 HH21 ARG A 71 -5.886 -3.709 -8.877 1.00 30.12 H new ATOM 0 HH22 ARG A 71 -7.334 -4.133 -9.796 1.00 30.12 H new ATOM 1162 N GLY A 72 -7.673 1.640 -1.946 1.00 41.42 N ATOM 1163 CA GLY A 72 -8.197 2.477 -0.876 1.00 34.00 C ATOM 1164 C GLY A 72 -8.420 3.919 -1.324 1.00 22.21 C ATOM 1165 O GLY A 72 -9.424 4.542 -0.974 1.00 42.10 O ATOM 0 H GLY A 72 -6.711 1.327 -1.814 1.00 41.42 H new ATOM 0 HA2 GLY A 72 -9.139 2.060 -0.520 1.00 34.00 H new ATOM 0 HA3 GLY A 72 -7.504 2.463 -0.035 1.00 34.00 H new ATOM 1169 N LYS A 73 -7.482 4.445 -2.114 1.00 65.33 N ATOM 1170 CA LYS A 73 -7.572 5.817 -2.632 1.00 41.45 C ATOM 1171 C LYS A 73 -8.804 5.996 -3.533 1.00 73.50 C ATOM 1172 O LYS A 73 -9.388 7.075 -3.590 1.00 35.11 O ATOM 1173 CB LYS A 73 -6.300 6.171 -3.418 1.00 53.31 C ATOM 1174 CG LYS A 73 -6.188 7.646 -3.805 1.00 52.05 C ATOM 1175 CD LYS A 73 -6.022 8.545 -2.581 1.00 15.34 C ATOM 1176 CE LYS A 73 -4.777 8.186 -1.780 1.00 50.44 C ATOM 1177 NZ LYS A 73 -4.586 9.094 -0.622 1.00 13.43 N ATOM 0 H LYS A 73 -6.647 3.941 -2.412 1.00 65.33 H new ATOM 0 HA LYS A 73 -7.672 6.489 -1.779 1.00 41.45 H new ATOM 0 HB2 LYS A 73 -5.430 5.897 -2.821 1.00 53.31 H new ATOM 0 HB3 LYS A 73 -6.267 5.566 -4.324 1.00 53.31 H new ATOM 0 HG2 LYS A 73 -5.338 7.782 -4.474 1.00 52.05 H new ATOM 0 HG3 LYS A 73 -7.079 7.945 -4.357 1.00 52.05 H new ATOM 0 HD2 LYS A 73 -5.962 9.586 -2.900 1.00 15.34 H new ATOM 0 HD3 LYS A 73 -6.902 8.458 -1.944 1.00 15.34 H new ATOM 0 HE2 LYS A 73 -4.856 7.158 -1.427 1.00 50.44 H new ATOM 0 HE3 LYS A 73 -3.902 8.234 -2.428 1.00 50.44 H new ATOM 0 HZ1 LYS A 73 -4.151 8.569 0.163 1.00 13.43 H new ATOM 0 HZ2 LYS A 73 -3.966 9.882 -0.897 1.00 13.43 H new ATOM 0 HZ3 LYS A 73 -5.508 9.469 -0.319 1.00 13.43 H new