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 58 THR OG1 : rot 180:sc= 0.147 USER MOD Set 1.2: A 60 SER OG : rot -55:sc= 0.12 USER MOD Set 1.3: A 61 GLN : amide:sc= 0.104 K(o=0.37,f=-6!) USER MOD Single : A 31 MET CE :methyl -160:sc= -0.104 (180deg=-0.552) USER MOD Single : A 32 LYS NZ :NH3+ -171:sc=-0.00615 (180deg=-0.117) USER MOD Single : A 37 THR OG1 : rot 160:sc= 0.767 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -2.36! K(o=-2.4!,f=-0.095) USER MOD Single : A 49 ASN : amide:sc= -0.616 X(o=-0.62,f=-0.82) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ -114:sc= 0.754 (180deg=0.272) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -8.808 -6.588 0.777 1.00 63.22 N ATOM 350 CA ASP A 24 -7.628 -5.760 0.515 1.00 52.42 C ATOM 351 C ASP A 24 -6.545 -5.971 1.584 1.00 22.11 C ATOM 352 O ASP A 24 -5.346 -5.964 1.289 1.00 63.54 O ATOM 353 CB ASP A 24 -8.052 -4.287 0.455 1.00 33.42 C ATOM 354 CG ASP A 24 -9.236 -4.070 -0.481 1.00 2.02 C ATOM 355 OD1 ASP A 24 -10.391 -4.258 -0.043 1.00 23.04 O ATOM 356 OD2 ASP A 24 -9.023 -3.717 -1.659 1.00 34.22 O ATOM 0 HA ASP A 24 -7.197 -6.055 -0.442 1.00 52.42 H new ATOM 0 HB2 ASP A 24 -8.314 -3.944 1.456 1.00 33.42 H new ATOM 0 HB3 ASP A 24 -7.210 -3.681 0.121 1.00 33.42 H new ATOM 361 N GLU A 25 -6.985 -6.167 2.822 1.00 3.22 N ATOM 362 CA GLU A 25 -6.088 -6.443 3.945 1.00 23.24 C ATOM 363 C GLU A 25 -5.459 -7.845 3.838 1.00 42.24 C ATOM 364 O GLU A 25 -4.303 -8.050 4.219 1.00 24.24 O ATOM 365 CB GLU A 25 -6.855 -6.310 5.272 1.00 53.12 C ATOM 366 CG GLU A 25 -7.204 -4.872 5.668 1.00 3.04 C ATOM 367 CD GLU A 25 -8.004 -4.106 4.614 1.00 54.42 C ATOM 368 OE1 GLU A 25 -8.993 -4.659 4.082 1.00 72.42 O ATOM 369 OE2 GLU A 25 -7.651 -2.940 4.322 1.00 33.23 O ATOM 0 H GLU A 25 -7.972 -6.140 3.078 1.00 3.22 H new ATOM 0 HA GLU A 25 -5.279 -5.713 3.915 1.00 23.24 H new ATOM 0 HB2 GLU A 25 -7.777 -6.887 5.203 1.00 53.12 H new ATOM 0 HB3 GLU A 25 -6.258 -6.757 6.067 1.00 53.12 H new ATOM 0 HG2 GLU A 25 -7.774 -4.891 6.597 1.00 3.04 H new ATOM 0 HG3 GLU A 25 -6.281 -4.329 5.872 1.00 3.04 H new ATOM 376 N ARG A 26 -6.221 -8.807 3.317 1.00 2.52 N ATOM 377 CA ARG A 26 -5.726 -10.182 3.144 1.00 21.34 C ATOM 378 C ARG A 26 -4.568 -10.256 2.136 1.00 2.40 C ATOM 379 O ARG A 26 -3.752 -11.175 2.188 1.00 63.23 O ATOM 380 CB ARG A 26 -6.864 -11.125 2.720 1.00 50.02 C ATOM 381 CG ARG A 26 -7.776 -11.545 3.872 1.00 44.41 C ATOM 382 CD ARG A 26 -8.898 -12.466 3.405 1.00 53.33 C ATOM 383 NE ARG A 26 -9.662 -13.017 4.528 1.00 41.21 N ATOM 384 CZ ARG A 26 -10.699 -13.804 4.397 1.00 63.20 C ATOM 385 NH1 ARG A 26 -11.154 -14.103 3.226 1.00 45.43 N ATOM 386 NH2 ARG A 26 -11.285 -14.281 5.447 1.00 75.40 N ATOM 0 H ARG A 26 -7.182 -8.665 3.007 1.00 2.52 H new ATOM 0 HA ARG A 26 -5.342 -10.506 4.111 1.00 21.34 H new ATOM 0 HB2 ARG A 26 -7.464 -10.634 1.954 1.00 50.02 H new ATOM 0 HB3 ARG A 26 -6.434 -12.017 2.265 1.00 50.02 H new ATOM 0 HG2 ARG A 26 -7.186 -12.051 4.636 1.00 44.41 H new ATOM 0 HG3 ARG A 26 -8.205 -10.657 4.337 1.00 44.41 H new ATOM 0 HD2 ARG A 26 -9.569 -11.914 2.747 1.00 53.33 H new ATOM 0 HD3 ARG A 26 -8.476 -13.282 2.819 1.00 53.33 H new ATOM 0 HE ARG A 26 -9.366 -12.771 5.473 1.00 41.21 H new ATOM 0 HH11 ARG A 26 -10.704 -13.725 2.392 1.00 45.43 H new ATOM 0 HH12 ARG A 26 -11.963 -14.717 3.135 1.00 45.43 H new ATOM 0 HH21 ARG A 26 -10.939 -14.044 6.377 1.00 75.40 H new ATOM 0 HH22 ARG A 26 -12.093 -14.895 5.345 1.00 75.40 H new ATOM 400 N ARG A 27 -4.503 -9.294 1.218 1.00 24.04 N ATOM 401 CA ARG A 27 -3.365 -9.197 0.291 1.00 63.23 C ATOM 402 C ARG A 27 -2.043 -9.039 1.059 1.00 1.25 C ATOM 403 O ARG A 27 -1.042 -9.689 0.747 1.00 3.22 O ATOM 404 CB ARG A 27 -3.545 -8.007 -0.661 1.00 2.11 C ATOM 405 CG ARG A 27 -4.722 -8.142 -1.621 1.00 13.23 C ATOM 406 CD ARG A 27 -4.837 -6.922 -2.529 1.00 51.21 C ATOM 407 NE ARG A 27 -5.927 -7.048 -3.494 1.00 53.52 N ATOM 408 CZ ARG A 27 -6.988 -6.289 -3.501 1.00 50.31 C ATOM 409 NH1 ARG A 27 -7.122 -5.346 -2.626 1.00 50.21 N ATOM 410 NH2 ARG A 27 -7.906 -6.470 -4.391 1.00 74.44 N ATOM 0 H ARG A 27 -5.215 -8.574 1.092 1.00 24.04 H new ATOM 0 HA ARG A 27 -3.330 -10.120 -0.288 1.00 63.23 H new ATOM 0 HB2 ARG A 27 -3.676 -7.101 -0.070 1.00 2.11 H new ATOM 0 HB3 ARG A 27 -2.631 -7.880 -1.241 1.00 2.11 H new ATOM 0 HG2 ARG A 27 -4.599 -9.039 -2.227 1.00 13.23 H new ATOM 0 HG3 ARG A 27 -5.645 -8.265 -1.054 1.00 13.23 H new ATOM 0 HD2 ARG A 27 -4.996 -6.032 -1.920 1.00 51.21 H new ATOM 0 HD3 ARG A 27 -3.897 -6.779 -3.063 1.00 51.21 H new ATOM 0 HE ARG A 27 -5.854 -7.774 -4.206 1.00 53.52 H new ATOM 0 HH11 ARG A 27 -6.396 -5.193 -1.926 1.00 50.21 H new ATOM 0 HH12 ARG A 27 -7.954 -4.755 -2.636 1.00 50.21 H new ATOM 0 HH21 ARG A 27 -7.802 -7.207 -5.089 1.00 74.44 H new ATOM 0 HH22 ARG A 27 -8.735 -5.876 -4.396 1.00 74.44 H new ATOM 424 N ALA A 28 -2.061 -8.181 2.078 1.00 63.52 N ATOM 425 CA ALA A 28 -0.868 -7.883 2.873 1.00 63.42 C ATOM 426 C ALA A 28 -0.331 -9.128 3.594 1.00 54.13 C ATOM 427 O ALA A 28 0.821 -9.515 3.409 1.00 72.55 O ATOM 428 CB ALA A 28 -1.177 -6.777 3.875 1.00 2.30 C ATOM 0 H ALA A 28 -2.896 -7.676 2.375 1.00 63.52 H new ATOM 0 HA ALA A 28 -0.088 -7.546 2.191 1.00 63.42 H new ATOM 0 HB1 ALA A 28 -0.286 -6.560 4.464 1.00 2.30 H new ATOM 0 HB2 ALA A 28 -1.487 -5.879 3.341 1.00 2.30 H new ATOM 0 HB3 ALA A 28 -1.979 -7.100 4.538 1.00 2.30 H new ATOM 434 N LEU A 29 -1.174 -9.756 4.408 1.00 31.42 N ATOM 435 CA LEU A 29 -0.770 -10.947 5.174 1.00 63.15 C ATOM 436 C LEU A 29 -0.411 -12.132 4.252 1.00 64.32 C ATOM 437 O LEU A 29 0.416 -12.975 4.605 1.00 74.44 O ATOM 438 CB LEU A 29 -1.871 -11.330 6.186 1.00 32.11 C ATOM 439 CG LEU A 29 -3.288 -11.543 5.606 1.00 75.33 C ATOM 440 CD1 LEU A 29 -3.468 -12.959 5.057 1.00 12.22 C ATOM 441 CD2 LEU A 29 -4.353 -11.226 6.654 1.00 54.15 C ATOM 0 H LEU A 29 -2.140 -9.467 4.559 1.00 31.42 H new ATOM 0 HA LEU A 29 0.135 -10.699 5.728 1.00 63.15 H new ATOM 0 HB2 LEU A 29 -1.567 -12.246 6.692 1.00 32.11 H new ATOM 0 HB3 LEU A 29 -1.925 -10.549 6.945 1.00 32.11 H new ATOM 0 HG LEU A 29 -3.409 -10.853 4.771 1.00 75.33 H new ATOM 0 HD11 LEU A 29 -4.476 -13.069 4.658 1.00 12.22 H new ATOM 0 HD12 LEU A 29 -2.743 -13.136 4.263 1.00 12.22 H new ATOM 0 HD13 LEU A 29 -3.313 -13.682 5.858 1.00 12.22 H new ATOM 0 HD21 LEU A 29 -5.343 -11.382 6.226 1.00 54.15 H new ATOM 0 HD22 LEU A 29 -4.223 -11.882 7.515 1.00 54.15 H new ATOM 0 HD23 LEU A 29 -4.254 -10.188 6.970 1.00 54.15 H new ATOM 453 N ALA A 30 -1.022 -12.182 3.065 1.00 12.42 N ATOM 454 CA ALA A 30 -0.728 -13.240 2.084 1.00 62.21 C ATOM 455 C ALA A 30 0.703 -13.117 1.530 1.00 3.20 C ATOM 456 O ALA A 30 1.451 -14.098 1.490 1.00 61.30 O ATOM 457 CB ALA A 30 -1.740 -13.200 0.943 1.00 4.32 C ATOM 0 H ALA A 30 -1.722 -11.506 2.757 1.00 12.42 H new ATOM 0 HA ALA A 30 -0.805 -14.199 2.597 1.00 62.21 H new ATOM 0 HB1 ALA A 30 -1.510 -13.988 0.225 1.00 4.32 H new ATOM 0 HB2 ALA A 30 -2.743 -13.353 1.341 1.00 4.32 H new ATOM 0 HB3 ALA A 30 -1.690 -12.231 0.446 1.00 4.32 H new ATOM 463 N MET A 31 1.076 -11.907 1.109 1.00 42.01 N ATOM 464 CA MET A 31 2.427 -11.644 0.582 1.00 21.41 C ATOM 465 C MET A 31 3.385 -11.180 1.692 1.00 70.11 C ATOM 466 O MET A 31 4.518 -10.781 1.418 1.00 11.01 O ATOM 467 CB MET A 31 2.362 -10.587 -0.530 1.00 34.33 C ATOM 468 CG MET A 31 1.620 -11.053 -1.776 1.00 70.11 C ATOM 469 SD MET A 31 2.438 -12.447 -2.584 1.00 44.52 S ATOM 470 CE MET A 31 3.990 -11.695 -3.074 1.00 73.44 C ATOM 0 H MET A 31 0.465 -11.090 1.121 1.00 42.01 H new ATOM 0 HA MET A 31 2.814 -12.578 0.173 1.00 21.41 H new ATOM 0 HB2 MET A 31 1.875 -9.693 -0.141 1.00 34.33 H new ATOM 0 HB3 MET A 31 3.377 -10.302 -0.808 1.00 34.33 H new ATOM 0 HG2 MET A 31 0.604 -11.339 -1.505 1.00 70.11 H new ATOM 0 HG3 MET A 31 1.541 -10.224 -2.480 1.00 70.11 H new ATOM 0 HE1 MET A 31 4.445 -12.285 -3.869 1.00 73.44 H new ATOM 0 HE2 MET A 31 3.806 -10.683 -3.434 1.00 73.44 H new ATOM 0 HE3 MET A 31 4.663 -11.659 -2.218 1.00 73.44 H new ATOM 480 N LYS A 32 2.913 -11.238 2.937 1.00 22.05 N ATOM 481 CA LYS A 32 3.705 -10.853 4.113 1.00 11.20 C ATOM 482 C LYS A 32 4.185 -9.389 4.047 1.00 1.52 C ATOM 483 O LYS A 32 5.365 -9.105 3.829 1.00 44.22 O ATOM 484 CB LYS A 32 4.889 -11.815 4.320 1.00 70.41 C ATOM 485 CG LYS A 32 4.454 -13.251 4.601 1.00 43.43 C ATOM 486 CD LYS A 32 5.643 -14.169 4.871 1.00 62.24 C ATOM 487 CE LYS A 32 5.207 -15.611 5.121 1.00 35.11 C ATOM 488 NZ LYS A 32 4.321 -15.738 6.314 1.00 64.40 N ATOM 0 H LYS A 32 1.970 -11.553 3.163 1.00 22.05 H new ATOM 0 HA LYS A 32 3.045 -10.929 4.977 1.00 11.20 H new ATOM 0 HB2 LYS A 32 5.520 -11.801 3.432 1.00 70.41 H new ATOM 0 HB3 LYS A 32 5.499 -11.458 5.150 1.00 70.41 H new ATOM 0 HG2 LYS A 32 3.784 -13.265 5.460 1.00 43.43 H new ATOM 0 HG3 LYS A 32 3.889 -13.631 3.750 1.00 43.43 H new ATOM 0 HD2 LYS A 32 6.325 -14.139 4.021 1.00 62.24 H new ATOM 0 HD3 LYS A 32 6.195 -13.802 5.736 1.00 62.24 H new ATOM 0 HE2 LYS A 32 4.684 -15.987 4.242 1.00 35.11 H new ATOM 0 HE3 LYS A 32 6.089 -16.236 5.259 1.00 35.11 H new ATOM 0 HZ1 LYS A 32 4.176 -16.744 6.533 1.00 64.40 H new ATOM 0 HZ2 LYS A 32 4.765 -15.267 7.128 1.00 64.40 H new ATOM 0 HZ3 LYS A 32 3.403 -15.291 6.114 1.00 64.40 H new ATOM 502 N ILE A 33 3.242 -8.466 4.224 1.00 20.51 N ATOM 503 CA ILE A 33 3.539 -7.032 4.300 1.00 65.15 C ATOM 504 C ILE A 33 3.510 -6.559 5.768 1.00 65.31 C ATOM 505 O ILE A 33 2.451 -6.521 6.395 1.00 42.03 O ATOM 506 CB ILE A 33 2.518 -6.209 3.468 1.00 41.10 C ATOM 507 CG1 ILE A 33 2.522 -6.664 1.997 1.00 11.33 C ATOM 508 CG2 ILE A 33 2.804 -4.711 3.572 1.00 53.23 C ATOM 509 CD1 ILE A 33 3.861 -6.517 1.303 1.00 5.11 C ATOM 0 H ILE A 33 2.251 -8.688 4.319 1.00 20.51 H new ATOM 0 HA ILE A 33 4.535 -6.872 3.887 1.00 65.15 H new ATOM 0 HB ILE A 33 1.525 -6.390 3.880 1.00 41.10 H new ATOM 0 HG12 ILE A 33 2.215 -7.709 1.951 1.00 11.33 H new ATOM 0 HG13 ILE A 33 1.776 -6.088 1.449 1.00 11.33 H new ATOM 0 HG21 ILE A 33 2.074 -4.159 2.980 1.00 53.23 H new ATOM 0 HG22 ILE A 33 2.736 -4.399 4.614 1.00 53.23 H new ATOM 0 HG23 ILE A 33 3.806 -4.505 3.196 1.00 53.23 H new ATOM 0 HD11 ILE A 33 3.776 -6.860 0.272 1.00 5.11 H new ATOM 0 HD12 ILE A 33 4.163 -5.470 1.314 1.00 5.11 H new ATOM 0 HD13 ILE A 33 4.608 -7.116 1.824 1.00 5.11 H new ATOM 521 N PRO A 34 4.675 -6.189 6.335 1.00 42.32 N ATOM 522 CA PRO A 34 4.801 -5.878 7.772 1.00 22.32 C ATOM 523 C PRO A 34 4.326 -4.465 8.181 1.00 3.24 C ATOM 524 O PRO A 34 4.768 -3.935 9.203 1.00 60.21 O ATOM 525 CB PRO A 34 6.309 -6.029 8.007 1.00 11.35 C ATOM 526 CG PRO A 34 6.932 -5.634 6.710 1.00 55.51 C ATOM 527 CD PRO A 34 5.968 -6.064 5.629 1.00 13.10 C ATOM 0 HA PRO A 34 4.165 -6.530 8.371 1.00 22.32 H new ATOM 0 HB2 PRO A 34 6.649 -5.390 8.822 1.00 11.35 H new ATOM 0 HB3 PRO A 34 6.568 -7.053 8.276 1.00 11.35 H new ATOM 0 HG2 PRO A 34 7.104 -4.558 6.673 1.00 55.51 H new ATOM 0 HG3 PRO A 34 7.901 -6.116 6.581 1.00 55.51 H new ATOM 0 HD2 PRO A 34 5.915 -5.329 4.826 1.00 13.10 H new ATOM 0 HD3 PRO A 34 6.270 -7.009 5.177 1.00 13.10 H new ATOM 535 N PHE A 35 3.412 -3.866 7.416 1.00 72.21 N ATOM 536 CA PHE A 35 2.857 -2.547 7.770 1.00 33.12 C ATOM 537 C PHE A 35 1.382 -2.410 7.344 1.00 73.45 C ATOM 538 O PHE A 35 0.958 -2.986 6.340 1.00 3.51 O ATOM 539 CB PHE A 35 3.718 -1.410 7.184 1.00 71.42 C ATOM 540 CG PHE A 35 4.014 -1.523 5.711 1.00 60.54 C ATOM 541 CD1 PHE A 35 3.145 -0.996 4.762 1.00 53.22 C ATOM 542 CD2 PHE A 35 5.178 -2.139 5.276 1.00 32.20 C ATOM 543 CE1 PHE A 35 3.434 -1.090 3.412 1.00 35.52 C ATOM 544 CE2 PHE A 35 5.470 -2.230 3.930 1.00 44.31 C ATOM 545 CZ PHE A 35 4.598 -1.706 2.997 1.00 60.23 C ATOM 0 H PHE A 35 3.039 -4.264 6.554 1.00 72.21 H new ATOM 0 HA PHE A 35 2.884 -2.464 8.857 1.00 33.12 H new ATOM 0 HB2 PHE A 35 3.211 -0.462 7.365 1.00 71.42 H new ATOM 0 HB3 PHE A 35 4.663 -1.375 7.726 1.00 71.42 H new ATOM 0 HD1 PHE A 35 2.236 -0.509 5.082 1.00 53.22 H new ATOM 0 HD2 PHE A 35 5.865 -2.553 6.000 1.00 32.20 H new ATOM 0 HE1 PHE A 35 2.749 -0.682 2.683 1.00 35.52 H new ATOM 0 HE2 PHE A 35 6.381 -2.711 3.607 1.00 44.31 H new ATOM 0 HZ PHE A 35 4.826 -1.778 1.944 1.00 60.23 H new ATOM 555 N PRO A 36 0.583 -1.638 8.117 1.00 33.04 N ATOM 556 CA PRO A 36 -0.880 -1.516 7.910 1.00 13.32 C ATOM 557 C PRO A 36 -1.289 -0.906 6.551 1.00 73.02 C ATOM 558 O PRO A 36 -0.693 0.063 6.077 1.00 24.04 O ATOM 559 CB PRO A 36 -1.324 -0.594 9.058 1.00 53.01 C ATOM 560 CG PRO A 36 -0.093 0.141 9.460 1.00 11.51 C ATOM 561 CD PRO A 36 1.036 -0.827 9.263 1.00 75.54 C ATOM 0 HA PRO A 36 -1.348 -2.501 7.903 1.00 13.32 H new ATOM 0 HB2 PRO A 36 -2.105 0.093 8.733 1.00 53.01 H new ATOM 0 HB3 PRO A 36 -1.731 -1.168 9.891 1.00 53.01 H new ATOM 0 HG2 PRO A 36 0.046 1.035 8.852 1.00 11.51 H new ATOM 0 HG3 PRO A 36 -0.153 0.468 10.498 1.00 11.51 H new ATOM 0 HD2 PRO A 36 1.974 -0.315 9.049 1.00 75.54 H new ATOM 0 HD3 PRO A 36 1.202 -1.439 10.150 1.00 75.54 H new ATOM 569 N THR A 37 -2.348 -1.469 5.957 1.00 21.31 N ATOM 570 CA THR A 37 -2.866 -1.029 4.648 1.00 65.33 C ATOM 571 C THR A 37 -3.436 0.400 4.687 1.00 25.44 C ATOM 572 O THR A 37 -3.241 1.185 3.760 1.00 24.10 O ATOM 573 CB THR A 37 -3.981 -1.977 4.147 1.00 21.22 C ATOM 574 OG1 THR A 37 -5.041 -2.031 5.115 1.00 43.41 O ATOM 575 CG2 THR A 37 -3.442 -3.384 3.903 1.00 24.54 C ATOM 0 H THR A 37 -2.872 -2.242 6.367 1.00 21.31 H new ATOM 0 HA THR A 37 -2.013 -1.049 3.969 1.00 65.33 H new ATOM 0 HB THR A 37 -4.360 -1.586 3.203 1.00 21.22 H new ATOM 0 HG1 THR A 37 -5.859 -2.358 4.686 1.00 43.41 H new ATOM 0 HG21 THR A 37 -4.249 -4.027 3.552 1.00 24.54 H new ATOM 0 HG22 THR A 37 -2.654 -3.346 3.151 1.00 24.54 H new ATOM 0 HG23 THR A 37 -3.037 -3.785 4.832 1.00 24.54 H new ATOM 583 N ASP A 38 -4.148 0.723 5.764 1.00 71.15 N ATOM 584 CA ASP A 38 -4.775 2.042 5.928 1.00 21.21 C ATOM 585 C ASP A 38 -3.752 3.181 5.779 1.00 5.12 C ATOM 586 O ASP A 38 -4.013 4.191 5.118 1.00 53.33 O ATOM 587 CB ASP A 38 -5.461 2.119 7.297 1.00 13.01 C ATOM 588 CG ASP A 38 -4.535 1.700 8.426 1.00 5.41 C ATOM 589 OD1 ASP A 38 -4.377 0.480 8.636 1.00 51.25 O ATOM 590 OD2 ASP A 38 -3.945 2.581 9.088 1.00 41.24 O ATOM 0 H ASP A 38 -4.309 0.087 6.545 1.00 71.15 H new ATOM 0 HA ASP A 38 -5.517 2.165 5.139 1.00 21.21 H new ATOM 0 HB2 ASP A 38 -5.807 3.138 7.472 1.00 13.01 H new ATOM 0 HB3 ASP A 38 -6.343 1.479 7.296 1.00 13.01 H new ATOM 595 N LYS A 39 -2.586 3.000 6.388 1.00 3.52 N ATOM 596 CA LYS A 39 -1.517 3.996 6.328 1.00 61.53 C ATOM 597 C LYS A 39 -0.995 4.167 4.889 1.00 73.51 C ATOM 598 O LYS A 39 -0.667 5.275 4.467 1.00 42.34 O ATOM 599 CB LYS A 39 -0.380 3.596 7.274 1.00 62.23 C ATOM 600 CG LYS A 39 0.712 4.652 7.409 1.00 54.25 C ATOM 601 CD LYS A 39 1.705 4.310 8.516 1.00 53.31 C ATOM 602 CE LYS A 39 1.025 4.232 9.883 1.00 71.41 C ATOM 603 NZ LYS A 39 2.001 4.029 10.988 1.00 42.34 N ATOM 0 H LYS A 39 -2.354 2.169 6.932 1.00 3.52 H new ATOM 0 HA LYS A 39 -1.921 4.957 6.647 1.00 61.53 H new ATOM 0 HB2 LYS A 39 -0.796 3.390 8.260 1.00 62.23 H new ATOM 0 HB3 LYS A 39 0.067 2.668 6.917 1.00 62.23 H new ATOM 0 HG2 LYS A 39 1.243 4.747 6.462 1.00 54.25 H new ATOM 0 HG3 LYS A 39 0.256 5.620 7.617 1.00 54.25 H new ATOM 0 HD2 LYS A 39 2.184 3.357 8.293 1.00 53.31 H new ATOM 0 HD3 LYS A 39 2.492 5.063 8.544 1.00 53.31 H new ATOM 0 HE2 LYS A 39 0.464 5.150 10.060 1.00 71.41 H new ATOM 0 HE3 LYS A 39 0.305 3.414 9.882 1.00 71.41 H new ATOM 0 HZ1 LYS A 39 1.494 3.982 11.895 1.00 42.34 H new ATOM 0 HZ2 LYS A 39 2.519 3.140 10.835 1.00 42.34 H new ATOM 0 HZ3 LYS A 39 2.673 4.822 11.008 1.00 42.34 H new ATOM 617 N ILE A 40 -0.947 3.062 4.139 1.00 44.22 N ATOM 618 CA ILE A 40 -0.519 3.084 2.729 1.00 61.43 C ATOM 619 C ILE A 40 -1.364 4.070 1.900 1.00 73.54 C ATOM 620 O ILE A 40 -0.847 4.795 1.047 1.00 31.45 O ATOM 621 CB ILE A 40 -0.637 1.672 2.096 1.00 13.12 C ATOM 622 CG1 ILE A 40 0.192 0.649 2.892 1.00 23.02 C ATOM 623 CG2 ILE A 40 -0.208 1.694 0.630 1.00 23.13 C ATOM 624 CD1 ILE A 40 0.042 -0.779 2.401 1.00 44.41 C ATOM 0 H ILE A 40 -1.200 2.135 4.483 1.00 44.22 H new ATOM 0 HA ILE A 40 0.522 3.408 2.717 1.00 61.43 H new ATOM 0 HB ILE A 40 -1.683 1.369 2.136 1.00 13.12 H new ATOM 0 HG12 ILE A 40 1.244 0.931 2.843 1.00 23.02 H new ATOM 0 HG13 ILE A 40 -0.102 0.695 3.941 1.00 23.02 H new ATOM 0 HG21 ILE A 40 -0.300 0.693 0.209 1.00 23.13 H new ATOM 0 HG22 ILE A 40 -0.846 2.381 0.074 1.00 23.13 H new ATOM 0 HG23 ILE A 40 0.828 2.024 0.559 1.00 23.13 H new ATOM 0 HD11 ILE A 40 0.657 -1.440 3.012 1.00 44.41 H new ATOM 0 HD12 ILE A 40 -1.002 -1.082 2.476 1.00 44.41 H new ATOM 0 HD13 ILE A 40 0.364 -0.842 1.362 1.00 44.41 H new ATOM 636 N VAL A 41 -2.668 4.081 2.162 1.00 33.43 N ATOM 637 CA VAL A 41 -3.603 4.964 1.457 1.00 24.34 C ATOM 638 C VAL A 41 -3.482 6.424 1.932 1.00 34.24 C ATOM 639 O VAL A 41 -3.605 7.361 1.138 1.00 53.14 O ATOM 640 CB VAL A 41 -5.065 4.486 1.655 1.00 23.21 C ATOM 641 CG1 VAL A 41 -6.049 5.398 0.926 1.00 24.32 C ATOM 642 CG2 VAL A 41 -5.224 3.037 1.200 1.00 73.54 C ATOM 0 H VAL A 41 -3.108 3.484 2.863 1.00 33.43 H new ATOM 0 HA VAL A 41 -3.342 4.921 0.400 1.00 24.34 H new ATOM 0 HB VAL A 41 -5.294 4.537 2.719 1.00 23.21 H new ATOM 0 HG11 VAL A 41 -7.065 5.037 1.084 1.00 24.32 H new ATOM 0 HG12 VAL A 41 -5.960 6.413 1.314 1.00 24.32 H new ATOM 0 HG13 VAL A 41 -5.825 5.396 -0.141 1.00 24.32 H new ATOM 0 HG21 VAL A 41 -6.257 2.721 1.347 1.00 73.54 H new ATOM 0 HG22 VAL A 41 -4.967 2.957 0.144 1.00 73.54 H new ATOM 0 HG23 VAL A 41 -4.562 2.398 1.784 1.00 73.54 H new ATOM 652 N ASN A 42 -3.238 6.604 3.231 1.00 34.23 N ATOM 653 CA ASN A 42 -3.164 7.942 3.837 1.00 22.32 C ATOM 654 C ASN A 42 -1.869 8.684 3.463 1.00 11.33 C ATOM 655 O ASN A 42 -1.888 9.891 3.205 1.00 14.32 O ATOM 656 CB ASN A 42 -3.278 7.837 5.362 1.00 3.53 C ATOM 657 CG ASN A 42 -4.672 7.452 5.842 1.00 55.33 C ATOM 658 OD1 ASN A 42 -5.081 7.819 6.941 1.00 21.32 O ATOM 659 ND2 ASN A 42 -5.414 6.717 5.036 1.00 24.11 N ATOM 0 H ASN A 42 -3.087 5.839 3.889 1.00 34.23 H new ATOM 0 HA ASN A 42 -3.999 8.520 3.441 1.00 22.32 H new ATOM 0 HB2 ASN A 42 -2.562 7.099 5.722 1.00 3.53 H new ATOM 0 HB3 ASN A 42 -3.001 8.793 5.806 1.00 3.53 H new ATOM 0 HD21 ASN A 42 -6.353 6.439 5.320 1.00 24.11 H new ATOM 0 HD22 ASN A 42 -5.048 6.427 4.129 1.00 24.11 H new ATOM 666 N LEU A 43 -0.746 7.965 3.439 1.00 51.20 N ATOM 667 CA LEU A 43 0.562 8.578 3.157 1.00 35.32 C ATOM 668 C LEU A 43 0.663 9.097 1.709 1.00 25.01 C ATOM 669 O LEU A 43 0.245 8.422 0.766 1.00 41.23 O ATOM 670 CB LEU A 43 1.701 7.577 3.420 1.00 3.33 C ATOM 671 CG LEU A 43 1.883 7.149 4.885 1.00 33.04 C ATOM 672 CD1 LEU A 43 3.066 6.191 5.023 1.00 62.52 C ATOM 673 CD2 LEU A 43 2.059 8.370 5.788 1.00 70.05 C ATOM 0 H LEU A 43 -0.711 6.960 3.610 1.00 51.20 H new ATOM 0 HA LEU A 43 0.659 9.430 3.830 1.00 35.32 H new ATOM 0 HB2 LEU A 43 1.523 6.685 2.819 1.00 3.33 H new ATOM 0 HB3 LEU A 43 2.635 8.016 3.070 1.00 3.33 H new ATOM 0 HG LEU A 43 0.983 6.623 5.203 1.00 33.04 H new ATOM 0 HD11 LEU A 43 3.178 5.900 6.067 1.00 62.52 H new ATOM 0 HD12 LEU A 43 2.888 5.303 4.416 1.00 62.52 H new ATOM 0 HD13 LEU A 43 3.976 6.686 4.684 1.00 62.52 H new ATOM 0 HD21 LEU A 43 2.186 8.044 6.820 1.00 70.05 H new ATOM 0 HD22 LEU A 43 2.939 8.931 5.474 1.00 70.05 H new ATOM 0 HD23 LEU A 43 1.177 9.007 5.715 1.00 70.05 H new ATOM 685 N PRO A 44 1.217 10.313 1.518 1.00 71.13 N ATOM 686 CA PRO A 44 1.458 10.877 0.177 1.00 10.44 C ATOM 687 C PRO A 44 2.607 10.166 -0.569 1.00 3.32 C ATOM 688 O PRO A 44 3.276 9.296 -0.012 1.00 4.12 O ATOM 689 CB PRO A 44 1.813 12.341 0.472 1.00 31.43 C ATOM 690 CG PRO A 44 2.367 12.326 1.857 1.00 1.45 C ATOM 691 CD PRO A 44 1.634 11.235 2.593 1.00 21.14 C ATOM 0 HA PRO A 44 0.596 10.760 -0.479 1.00 10.44 H new ATOM 0 HB2 PRO A 44 2.543 12.723 -0.242 1.00 31.43 H new ATOM 0 HB3 PRO A 44 0.935 12.983 0.404 1.00 31.43 H new ATOM 0 HG2 PRO A 44 3.440 12.134 1.845 1.00 1.45 H new ATOM 0 HG3 PRO A 44 2.221 13.290 2.345 1.00 1.45 H new ATOM 0 HD2 PRO A 44 2.277 10.739 3.320 1.00 21.14 H new ATOM 0 HD3 PRO A 44 0.777 11.626 3.141 1.00 21.14 H new ATOM 699 N VAL A 45 2.842 10.559 -1.824 1.00 31.00 N ATOM 700 CA VAL A 45 3.805 9.861 -2.694 1.00 62.22 C ATOM 701 C VAL A 45 5.221 9.762 -2.074 1.00 42.11 C ATOM 702 O VAL A 45 5.852 8.706 -2.131 1.00 54.41 O ATOM 703 CB VAL A 45 3.892 10.522 -4.099 1.00 14.42 C ATOM 704 CG1 VAL A 45 4.387 11.963 -4.004 1.00 44.32 C ATOM 705 CG2 VAL A 45 4.784 9.705 -5.031 1.00 43.42 C ATOM 0 H VAL A 45 2.381 11.356 -2.264 1.00 31.00 H new ATOM 0 HA VAL A 45 3.420 8.847 -2.800 1.00 62.22 H new ATOM 0 HB VAL A 45 2.886 10.541 -4.518 1.00 14.42 H new ATOM 0 HG11 VAL A 45 4.437 12.397 -5.003 1.00 44.32 H new ATOM 0 HG12 VAL A 45 3.699 12.544 -3.390 1.00 44.32 H new ATOM 0 HG13 VAL A 45 5.379 11.978 -3.552 1.00 44.32 H new ATOM 0 HG21 VAL A 45 4.829 10.188 -6.007 1.00 43.42 H new ATOM 0 HG22 VAL A 45 5.788 9.642 -4.611 1.00 43.42 H new ATOM 0 HG23 VAL A 45 4.373 8.702 -5.141 1.00 43.42 H new ATOM 715 N ASP A 46 5.709 10.849 -1.473 1.00 51.32 N ATOM 716 CA ASP A 46 7.057 10.866 -0.878 1.00 32.11 C ATOM 717 C ASP A 46 7.177 9.856 0.279 1.00 1.20 C ATOM 718 O ASP A 46 8.054 8.990 0.274 1.00 51.32 O ATOM 719 CB ASP A 46 7.403 12.278 -0.395 1.00 20.14 C ATOM 720 CG ASP A 46 8.800 12.371 0.196 1.00 43.13 C ATOM 721 OD1 ASP A 46 9.780 12.394 -0.578 1.00 4.32 O ATOM 722 OD2 ASP A 46 8.924 12.427 1.434 1.00 73.04 O ATOM 0 H ASP A 46 5.198 11.727 -1.383 1.00 51.32 H new ATOM 0 HA ASP A 46 7.768 10.570 -1.649 1.00 32.11 H new ATOM 0 HB2 ASP A 46 7.319 12.974 -1.230 1.00 20.14 H new ATOM 0 HB3 ASP A 46 6.675 12.590 0.354 1.00 20.14 H new ATOM 727 N ASP A 47 6.289 9.975 1.266 1.00 32.23 N ATOM 728 CA ASP A 47 6.254 9.046 2.402 1.00 24.11 C ATOM 729 C ASP A 47 6.030 7.596 1.936 1.00 1.20 C ATOM 730 O ASP A 47 6.599 6.655 2.495 1.00 24.25 O ATOM 731 CB ASP A 47 5.151 9.461 3.377 1.00 20.34 C ATOM 732 CG ASP A 47 5.376 10.857 3.931 1.00 73.45 C ATOM 733 OD1 ASP A 47 5.276 11.833 3.157 1.00 60.33 O ATOM 734 OD2 ASP A 47 5.666 10.984 5.139 1.00 72.13 O ATOM 0 H ASP A 47 5.580 10.708 1.304 1.00 32.23 H new ATOM 0 HA ASP A 47 7.220 9.089 2.905 1.00 24.11 H new ATOM 0 HB2 ASP A 47 4.187 9.423 2.871 1.00 20.34 H new ATOM 0 HB3 ASP A 47 5.107 8.747 4.200 1.00 20.34 H new ATOM 739 N PHE A 48 5.201 7.433 0.907 1.00 52.20 N ATOM 740 CA PHE A 48 4.936 6.122 0.303 1.00 75.14 C ATOM 741 C PHE A 48 6.225 5.503 -0.275 1.00 2.32 C ATOM 742 O PHE A 48 6.554 4.348 0.006 1.00 61.24 O ATOM 743 CB PHE A 48 3.868 6.274 -0.795 1.00 35.34 C ATOM 744 CG PHE A 48 3.516 4.993 -1.511 1.00 3.52 C ATOM 745 CD1 PHE A 48 2.768 4.012 -0.876 1.00 62.43 C ATOM 746 CD2 PHE A 48 3.937 4.768 -2.817 1.00 52.30 C ATOM 747 CE1 PHE A 48 2.443 2.840 -1.529 1.00 55.53 C ATOM 748 CE2 PHE A 48 3.614 3.596 -3.472 1.00 65.23 C ATOM 749 CZ PHE A 48 2.869 2.629 -2.825 1.00 2.14 C ATOM 0 H PHE A 48 4.694 8.201 0.467 1.00 52.20 H new ATOM 0 HA PHE A 48 4.568 5.447 1.076 1.00 75.14 H new ATOM 0 HB2 PHE A 48 2.963 6.686 -0.349 1.00 35.34 H new ATOM 0 HB3 PHE A 48 4.220 7.000 -1.528 1.00 35.34 H new ATOM 0 HD1 PHE A 48 2.436 4.167 0.140 1.00 62.43 H new ATOM 0 HD2 PHE A 48 4.524 5.519 -3.325 1.00 52.30 H new ATOM 0 HE1 PHE A 48 1.855 2.087 -1.025 1.00 55.53 H new ATOM 0 HE2 PHE A 48 3.943 3.436 -4.488 1.00 65.23 H new ATOM 0 HZ PHE A 48 2.620 1.709 -3.333 1.00 2.14 H new ATOM 759 N ASN A 49 6.955 6.282 -1.075 1.00 0.42 N ATOM 760 CA ASN A 49 8.225 5.824 -1.661 1.00 75.13 C ATOM 761 C ASN A 49 9.256 5.494 -0.570 1.00 71.40 C ATOM 762 O ASN A 49 9.954 4.476 -0.646 1.00 70.01 O ATOM 763 CB ASN A 49 8.786 6.881 -2.617 1.00 20.02 C ATOM 764 CG ASN A 49 7.868 7.138 -3.801 1.00 62.12 C ATOM 765 OD1 ASN A 49 7.122 6.264 -4.228 1.00 20.43 O ATOM 766 ND2 ASN A 49 7.923 8.336 -4.348 1.00 3.24 N ATOM 0 H ASN A 49 6.693 7.233 -1.334 1.00 0.42 H new ATOM 0 HA ASN A 49 8.023 4.912 -2.222 1.00 75.13 H new ATOM 0 HB2 ASN A 49 8.942 7.813 -2.073 1.00 20.02 H new ATOM 0 HB3 ASN A 49 9.761 6.557 -2.981 1.00 20.02 H new ATOM 0 HD21 ASN A 49 7.334 8.558 -5.151 1.00 3.24 H new ATOM 0 HD22 ASN A 49 8.555 9.041 -3.969 1.00 3.24 H new ATOM 773 N GLU A 50 9.347 6.360 0.441 1.00 50.02 N ATOM 774 CA GLU A 50 10.195 6.096 1.609 1.00 40.12 C ATOM 775 C GLU A 50 9.831 4.753 2.249 1.00 51.33 C ATOM 776 O GLU A 50 10.692 3.907 2.473 1.00 54.11 O ATOM 777 CB GLU A 50 10.050 7.220 2.647 1.00 74.35 C ATOM 778 CG GLU A 50 10.749 8.521 2.261 1.00 11.24 C ATOM 779 CD GLU A 50 12.260 8.369 2.183 1.00 23.21 C ATOM 780 OE1 GLU A 50 12.896 8.179 3.244 1.00 31.01 O ATOM 781 OE2 GLU A 50 12.819 8.426 1.067 1.00 74.52 O ATOM 0 H GLU A 50 8.846 7.248 0.476 1.00 50.02 H new ATOM 0 HA GLU A 50 11.230 6.057 1.271 1.00 40.12 H new ATOM 0 HB2 GLU A 50 8.990 7.422 2.802 1.00 74.35 H new ATOM 0 HB3 GLU A 50 10.451 6.874 3.600 1.00 74.35 H new ATOM 0 HG2 GLU A 50 10.371 8.861 1.297 1.00 11.24 H new ATOM 0 HG3 GLU A 50 10.502 9.293 2.990 1.00 11.24 H new ATOM 788 N LEU A 51 8.543 4.568 2.516 1.00 23.31 N ATOM 789 CA LEU A 51 8.028 3.336 3.117 1.00 70.22 C ATOM 790 C LEU A 51 8.526 2.088 2.361 1.00 5.53 C ATOM 791 O LEU A 51 9.054 1.149 2.961 1.00 43.51 O ATOM 792 CB LEU A 51 6.491 3.386 3.118 1.00 13.52 C ATOM 793 CG LEU A 51 5.779 2.282 3.918 1.00 55.51 C ATOM 794 CD1 LEU A 51 6.095 2.403 5.407 1.00 62.42 C ATOM 795 CD2 LEU A 51 4.272 2.340 3.679 1.00 14.42 C ATOM 0 H LEU A 51 7.824 5.265 2.323 1.00 23.31 H new ATOM 0 HA LEU A 51 8.397 3.263 4.140 1.00 70.22 H new ATOM 0 HB2 LEU A 51 6.179 4.352 3.514 1.00 13.52 H new ATOM 0 HB3 LEU A 51 6.145 3.339 2.085 1.00 13.52 H new ATOM 0 HG LEU A 51 6.146 1.316 3.573 1.00 55.51 H new ATOM 0 HD11 LEU A 51 5.581 1.612 5.953 1.00 62.42 H new ATOM 0 HD12 LEU A 51 7.170 2.310 5.560 1.00 62.42 H new ATOM 0 HD13 LEU A 51 5.760 3.374 5.772 1.00 62.42 H new ATOM 0 HD21 LEU A 51 3.782 1.553 4.252 1.00 14.42 H new ATOM 0 HD22 LEU A 51 3.890 3.310 3.996 1.00 14.42 H new ATOM 0 HD23 LEU A 51 4.066 2.198 2.618 1.00 14.42 H new ATOM 807 N LEU A 52 8.382 2.105 1.036 1.00 4.20 N ATOM 808 CA LEU A 52 8.823 0.986 0.189 1.00 61.02 C ATOM 809 C LEU A 52 10.352 0.808 0.202 1.00 55.22 C ATOM 810 O LEU A 52 10.855 -0.308 0.068 1.00 64.43 O ATOM 811 CB LEU A 52 8.343 1.189 -1.255 1.00 74.24 C ATOM 812 CG LEU A 52 6.816 1.209 -1.448 1.00 2.14 C ATOM 813 CD1 LEU A 52 6.461 1.390 -2.923 1.00 30.31 C ATOM 814 CD2 LEU A 52 6.182 -0.066 -0.890 1.00 52.11 C ATOM 0 H LEU A 52 7.964 2.880 0.521 1.00 4.20 H new ATOM 0 HA LEU A 52 8.380 0.081 0.604 1.00 61.02 H new ATOM 0 HB2 LEU A 52 8.751 2.129 -1.627 1.00 74.24 H new ATOM 0 HB3 LEU A 52 8.760 0.394 -1.873 1.00 74.24 H new ATOM 0 HG LEU A 52 6.414 2.057 -0.894 1.00 2.14 H new ATOM 0 HD11 LEU A 52 5.377 1.401 -3.038 1.00 30.31 H new ATOM 0 HD12 LEU A 52 6.874 2.332 -3.284 1.00 30.31 H new ATOM 0 HD13 LEU A 52 6.878 0.566 -3.501 1.00 30.31 H new ATOM 0 HD21 LEU A 52 5.103 -0.030 -1.037 1.00 52.11 H new ATOM 0 HD22 LEU A 52 6.590 -0.933 -1.409 1.00 52.11 H new ATOM 0 HD23 LEU A 52 6.400 -0.145 0.175 1.00 52.11 H new ATOM 826 N ALA A 53 11.087 1.907 0.353 1.00 61.14 N ATOM 827 CA ALA A 53 12.558 1.862 0.368 1.00 35.24 C ATOM 828 C ALA A 53 13.115 1.481 1.752 1.00 11.44 C ATOM 829 O ALA A 53 14.249 1.012 1.874 1.00 22.34 O ATOM 830 CB ALA A 53 13.122 3.208 -0.075 1.00 64.43 C ATOM 0 H ALA A 53 10.694 2.841 0.467 1.00 61.14 H new ATOM 0 HA ALA A 53 12.871 1.085 -0.330 1.00 35.24 H new ATOM 0 HB1 ALA A 53 14.211 3.168 -0.062 1.00 64.43 H new ATOM 0 HB2 ALA A 53 12.779 3.431 -1.085 1.00 64.43 H new ATOM 0 HB3 ALA A 53 12.779 3.988 0.605 1.00 64.43 H new ATOM 836 N ARG A 54 12.314 1.688 2.790 1.00 45.24 N ATOM 837 CA ARG A 54 12.740 1.420 4.169 1.00 23.41 C ATOM 838 C ARG A 54 12.417 -0.017 4.617 1.00 4.55 C ATOM 839 O ARG A 54 12.961 -0.500 5.611 1.00 50.24 O ATOM 840 CB ARG A 54 12.071 2.427 5.111 1.00 62.13 C ATOM 841 CG ARG A 54 12.499 3.872 4.858 1.00 62.02 C ATOM 842 CD ARG A 54 11.726 4.853 5.729 1.00 1.42 C ATOM 843 NE ARG A 54 12.090 6.241 5.449 1.00 22.44 N ATOM 844 CZ ARG A 54 11.959 7.214 6.303 1.00 61.33 C ATOM 845 NH1 ARG A 54 11.476 6.991 7.482 1.00 31.10 N ATOM 846 NH2 ARG A 54 12.305 8.413 5.967 1.00 61.43 N ATOM 0 H ARG A 54 11.361 2.042 2.708 1.00 45.24 H new ATOM 0 HA ARG A 54 13.824 1.529 4.208 1.00 23.41 H new ATOM 0 HB2 ARG A 54 10.989 2.352 5.002 1.00 62.13 H new ATOM 0 HB3 ARG A 54 12.307 2.161 6.142 1.00 62.13 H new ATOM 0 HG2 ARG A 54 13.566 3.974 5.055 1.00 62.02 H new ATOM 0 HG3 ARG A 54 12.343 4.118 3.808 1.00 62.02 H new ATOM 0 HD2 ARG A 54 10.657 4.719 5.565 1.00 1.42 H new ATOM 0 HD3 ARG A 54 11.917 4.633 6.779 1.00 1.42 H new ATOM 0 HE ARG A 54 12.470 6.460 4.528 1.00 22.44 H new ATOM 0 HH11 ARG A 54 11.195 6.047 7.748 1.00 31.10 H new ATOM 0 HH12 ARG A 54 11.376 7.759 8.146 1.00 31.10 H new ATOM 0 HH21 ARG A 54 12.679 8.594 5.035 1.00 61.43 H new ATOM 0 HH22 ARG A 54 12.204 9.179 6.633 1.00 61.43 H new ATOM 860 N TYR A 55 11.531 -0.694 3.895 1.00 60.44 N ATOM 861 CA TYR A 55 11.156 -2.072 4.232 1.00 23.22 C ATOM 862 C TYR A 55 11.771 -3.094 3.260 1.00 55.12 C ATOM 863 O TYR A 55 11.911 -2.830 2.064 1.00 3.13 O ATOM 864 CB TYR A 55 9.627 -2.204 4.273 1.00 75.32 C ATOM 865 CG TYR A 55 9.017 -1.606 5.528 1.00 14.41 C ATOM 866 CD1 TYR A 55 8.968 -0.231 5.719 1.00 43.41 C ATOM 867 CD2 TYR A 55 8.505 -2.422 6.531 1.00 15.00 C ATOM 868 CE1 TYR A 55 8.428 0.314 6.869 1.00 43.35 C ATOM 869 CE2 TYR A 55 7.965 -1.885 7.685 1.00 21.01 C ATOM 870 CZ TYR A 55 7.926 -0.517 7.849 1.00 14.41 C ATOM 871 OH TYR A 55 7.392 0.022 9.000 1.00 35.21 O ATOM 0 H TYR A 55 11.057 -0.317 3.074 1.00 60.44 H new ATOM 0 HA TYR A 55 11.559 -2.296 5.220 1.00 23.22 H new ATOM 0 HB2 TYR A 55 9.201 -1.713 3.398 1.00 75.32 H new ATOM 0 HB3 TYR A 55 9.356 -3.258 4.210 1.00 75.32 H new ATOM 0 HD1 TYR A 55 9.359 0.424 4.955 1.00 43.41 H new ATOM 0 HD2 TYR A 55 8.530 -3.494 6.406 1.00 15.00 H new ATOM 0 HE1 TYR A 55 8.399 1.386 7.000 1.00 43.35 H new ATOM 0 HE2 TYR A 55 7.575 -2.535 8.455 1.00 21.01 H new ATOM 0 HH TYR A 55 7.082 -0.700 9.586 1.00 35.21 H new ATOM 881 N PRO A 56 12.136 -4.289 3.771 1.00 40.24 N ATOM 882 CA PRO A 56 12.844 -5.322 2.982 1.00 55.01 C ATOM 883 C PRO A 56 11.929 -6.114 2.026 1.00 42.44 C ATOM 884 O PRO A 56 12.056 -7.334 1.902 1.00 73.22 O ATOM 885 CB PRO A 56 13.399 -6.238 4.079 1.00 74.45 C ATOM 886 CG PRO A 56 12.397 -6.151 5.178 1.00 11.24 C ATOM 887 CD PRO A 56 11.894 -4.731 5.164 1.00 23.21 C ATOM 0 HA PRO A 56 13.592 -4.887 2.319 1.00 55.01 H new ATOM 0 HB2 PRO A 56 13.510 -7.262 3.723 1.00 74.45 H new ATOM 0 HB3 PRO A 56 14.383 -5.908 4.412 1.00 74.45 H new ATOM 0 HG2 PRO A 56 11.581 -6.856 5.020 1.00 11.24 H new ATOM 0 HG3 PRO A 56 12.849 -6.396 6.139 1.00 11.24 H new ATOM 0 HD2 PRO A 56 10.837 -4.678 5.423 1.00 23.21 H new ATOM 0 HD3 PRO A 56 12.430 -4.109 5.881 1.00 23.21 H new ATOM 895 N LEU A 57 11.040 -5.416 1.327 1.00 3.35 N ATOM 896 CA LEU A 57 10.095 -6.065 0.408 1.00 40.32 C ATOM 897 C LEU A 57 10.740 -6.357 -0.958 1.00 42.22 C ATOM 898 O LEU A 57 11.574 -5.591 -1.441 1.00 64.45 O ATOM 899 CB LEU A 57 8.860 -5.174 0.208 1.00 43.31 C ATOM 900 CG LEU A 57 8.109 -4.774 1.488 1.00 74.22 C ATOM 901 CD1 LEU A 57 6.894 -3.914 1.143 1.00 35.53 C ATOM 902 CD2 LEU A 57 7.692 -6.007 2.291 1.00 12.40 C ATOM 0 H LEU A 57 10.949 -4.401 1.375 1.00 3.35 H new ATOM 0 HA LEU A 57 9.800 -7.014 0.856 1.00 40.32 H new ATOM 0 HB2 LEU A 57 9.171 -4.265 -0.307 1.00 43.31 H new ATOM 0 HB3 LEU A 57 8.164 -5.693 -0.452 1.00 43.31 H new ATOM 0 HG LEU A 57 8.784 -4.187 2.110 1.00 74.22 H new ATOM 0 HD11 LEU A 57 6.372 -3.638 2.059 1.00 35.53 H new ATOM 0 HD12 LEU A 57 7.222 -3.012 0.626 1.00 35.53 H new ATOM 0 HD13 LEU A 57 6.221 -4.478 0.497 1.00 35.53 H new ATOM 0 HD21 LEU A 57 7.163 -5.693 3.191 1.00 12.40 H new ATOM 0 HD22 LEU A 57 7.037 -6.632 1.684 1.00 12.40 H new ATOM 0 HD23 LEU A 57 8.579 -6.576 2.571 1.00 12.40 H new ATOM 914 N THR A 58 10.341 -7.466 -1.582 1.00 34.11 N ATOM 915 CA THR A 58 10.812 -7.804 -2.936 1.00 62.40 C ATOM 916 C THR A 58 9.948 -7.121 -4.004 1.00 13.22 C ATOM 917 O THR A 58 8.838 -6.668 -3.718 1.00 64.33 O ATOM 918 CB THR A 58 10.795 -9.328 -3.199 1.00 13.25 C ATOM 919 OG1 THR A 58 9.447 -9.820 -3.174 1.00 41.11 O ATOM 920 CG2 THR A 58 11.630 -10.076 -2.165 1.00 55.33 C ATOM 0 H THR A 58 9.696 -8.146 -1.178 1.00 34.11 H new ATOM 0 HA THR A 58 11.840 -7.447 -2.997 1.00 62.40 H new ATOM 0 HB THR A 58 11.228 -9.501 -4.184 1.00 13.25 H new ATOM 0 HG1 THR A 58 9.448 -10.785 -3.343 1.00 41.11 H new ATOM 0 HG21 THR A 58 11.599 -11.145 -2.376 1.00 55.33 H new ATOM 0 HG22 THR A 58 12.662 -9.727 -2.209 1.00 55.33 H new ATOM 0 HG23 THR A 58 11.227 -9.891 -1.169 1.00 55.33 H new ATOM 928 N GLU A 59 10.450 -7.077 -5.238 1.00 11.14 N ATOM 929 CA GLU A 59 9.769 -6.391 -6.352 1.00 41.41 C ATOM 930 C GLU A 59 8.274 -6.753 -6.454 1.00 0.40 C ATOM 931 O GLU A 59 7.441 -5.903 -6.784 1.00 55.11 O ATOM 932 CB GLU A 59 10.478 -6.725 -7.671 1.00 73.45 C ATOM 933 CG GLU A 59 11.881 -6.137 -7.771 1.00 15.12 C ATOM 934 CD GLU A 59 12.674 -6.688 -8.944 1.00 51.23 C ATOM 935 OE1 GLU A 59 12.358 -6.340 -10.100 1.00 1.12 O ATOM 936 OE2 GLU A 59 13.618 -7.474 -8.714 1.00 24.13 O ATOM 0 H GLU A 59 11.335 -7.511 -5.500 1.00 11.14 H new ATOM 0 HA GLU A 59 9.823 -5.321 -6.153 1.00 41.41 H new ATOM 0 HB2 GLU A 59 10.538 -7.808 -7.779 1.00 73.45 H new ATOM 0 HB3 GLU A 59 9.877 -6.355 -8.502 1.00 73.45 H new ATOM 0 HG2 GLU A 59 11.809 -5.053 -7.865 1.00 15.12 H new ATOM 0 HG3 GLU A 59 12.421 -6.341 -6.847 1.00 15.12 H new ATOM 943 N SER A 60 7.938 -8.006 -6.163 1.00 62.34 N ATOM 944 CA SER A 60 6.541 -8.465 -6.210 1.00 22.24 C ATOM 945 C SER A 60 5.698 -7.806 -5.106 1.00 23.13 C ATOM 946 O SER A 60 4.552 -7.410 -5.334 1.00 23.00 O ATOM 947 CB SER A 60 6.469 -9.992 -6.061 1.00 13.45 C ATOM 948 OG SER A 60 6.984 -10.410 -4.805 1.00 13.41 O ATOM 0 H SER A 60 8.608 -8.726 -5.892 1.00 62.34 H new ATOM 0 HA SER A 60 6.135 -8.175 -7.179 1.00 22.24 H new ATOM 0 HB2 SER A 60 5.435 -10.321 -6.161 1.00 13.45 H new ATOM 0 HB3 SER A 60 7.033 -10.466 -6.864 1.00 13.45 H new ATOM 0 HG SER A 60 7.897 -10.070 -4.696 1.00 13.41 H new ATOM 954 N GLN A 61 6.279 -7.681 -3.914 1.00 72.22 N ATOM 955 CA GLN A 61 5.581 -7.098 -2.764 1.00 12.31 C ATOM 956 C GLN A 61 5.281 -5.600 -2.976 1.00 62.32 C ATOM 957 O GLN A 61 4.176 -5.137 -2.685 1.00 23.34 O ATOM 958 CB GLN A 61 6.405 -7.305 -1.484 1.00 34.42 C ATOM 959 CG GLN A 61 6.686 -8.772 -1.158 1.00 3.40 C ATOM 960 CD GLN A 61 7.426 -8.953 0.159 1.00 64.25 C ATOM 961 OE1 GLN A 61 8.654 -8.950 0.204 1.00 34.20 O ATOM 962 NE2 GLN A 61 6.692 -9.123 1.240 1.00 54.11 N ATOM 0 H GLN A 61 7.235 -7.976 -3.717 1.00 72.22 H new ATOM 0 HA GLN A 61 4.625 -7.611 -2.660 1.00 12.31 H new ATOM 0 HB2 GLN A 61 7.353 -6.777 -1.585 1.00 34.42 H new ATOM 0 HB3 GLN A 61 5.876 -6.852 -0.646 1.00 34.42 H new ATOM 0 HG2 GLN A 61 5.743 -9.317 -1.117 1.00 3.40 H new ATOM 0 HG3 GLN A 61 7.274 -9.212 -1.963 1.00 3.40 H new ATOM 0 HE21 GLN A 61 5.674 -9.121 1.171 1.00 54.11 H new ATOM 0 HE22 GLN A 61 7.141 -9.257 2.146 1.00 54.11 H new ATOM 971 N LEU A 62 6.259 -4.847 -3.496 1.00 3.43 N ATOM 972 CA LEU A 62 6.056 -3.414 -3.781 1.00 73.51 C ATOM 973 C LEU A 62 4.919 -3.200 -4.793 1.00 31.43 C ATOM 974 O LEU A 62 4.117 -2.271 -4.660 1.00 51.41 O ATOM 975 CB LEU A 62 7.341 -2.747 -4.310 1.00 3.11 C ATOM 976 CG LEU A 62 8.475 -2.541 -3.282 1.00 71.31 C ATOM 977 CD1 LEU A 62 9.185 -3.850 -2.966 1.00 25.33 C ATOM 978 CD2 LEU A 62 9.471 -1.495 -3.780 1.00 21.33 C ATOM 0 H LEU A 62 7.189 -5.197 -3.727 1.00 3.43 H new ATOM 0 HA LEU A 62 5.785 -2.946 -2.835 1.00 73.51 H new ATOM 0 HB2 LEU A 62 7.728 -3.351 -5.130 1.00 3.11 H new ATOM 0 HB3 LEU A 62 7.076 -1.775 -4.727 1.00 3.11 H new ATOM 0 HG LEU A 62 8.023 -2.178 -2.359 1.00 71.31 H new ATOM 0 HD11 LEU A 62 9.977 -3.668 -2.239 1.00 25.33 H new ATOM 0 HD12 LEU A 62 8.470 -4.561 -2.553 1.00 25.33 H new ATOM 0 HD13 LEU A 62 9.617 -4.259 -3.879 1.00 25.33 H new ATOM 0 HD21 LEU A 62 10.262 -1.365 -3.041 1.00 21.33 H new ATOM 0 HD22 LEU A 62 9.906 -1.827 -4.723 1.00 21.33 H new ATOM 0 HD23 LEU A 62 8.957 -0.546 -3.932 1.00 21.33 H new ATOM 990 N ALA A 63 4.859 -4.063 -5.808 1.00 33.42 N ATOM 991 CA ALA A 63 3.788 -4.008 -6.807 1.00 62.43 C ATOM 992 C ALA A 63 2.407 -4.169 -6.152 1.00 61.33 C ATOM 993 O ALA A 63 1.451 -3.483 -6.515 1.00 32.34 O ATOM 994 CB ALA A 63 4.001 -5.081 -7.870 1.00 70.44 C ATOM 0 H ALA A 63 5.538 -4.808 -5.961 1.00 33.42 H new ATOM 0 HA ALA A 63 3.821 -3.028 -7.283 1.00 62.43 H new ATOM 0 HB1 ALA A 63 3.198 -5.029 -8.606 1.00 70.44 H new ATOM 0 HB2 ALA A 63 4.958 -4.918 -8.365 1.00 70.44 H new ATOM 0 HB3 ALA A 63 3.999 -6.064 -7.400 1.00 70.44 H new ATOM 1000 N LEU A 64 2.317 -5.081 -5.182 1.00 15.15 N ATOM 1001 CA LEU A 64 1.081 -5.280 -4.417 1.00 31.42 C ATOM 1002 C LEU A 64 0.689 -4.007 -3.650 1.00 34.30 C ATOM 1003 O LEU A 64 -0.436 -3.515 -3.769 1.00 3.51 O ATOM 1004 CB LEU A 64 1.249 -6.437 -3.425 1.00 44.34 C ATOM 1005 CG LEU A 64 -0.004 -6.772 -2.604 1.00 23.40 C ATOM 1006 CD1 LEU A 64 -1.077 -7.405 -3.485 1.00 51.40 C ATOM 1007 CD2 LEU A 64 0.346 -7.680 -1.430 1.00 42.43 C ATOM 0 H LEU A 64 3.084 -5.694 -4.906 1.00 15.15 H new ATOM 0 HA LEU A 64 0.289 -5.518 -5.127 1.00 31.42 H new ATOM 0 HB2 LEU A 64 1.553 -7.327 -3.976 1.00 44.34 H new ATOM 0 HB3 LEU A 64 2.060 -6.193 -2.739 1.00 44.34 H new ATOM 0 HG LEU A 64 -0.406 -5.842 -2.202 1.00 23.40 H new ATOM 0 HD11 LEU A 64 -1.955 -7.634 -2.881 1.00 51.40 H new ATOM 0 HD12 LEU A 64 -1.353 -6.710 -4.278 1.00 51.40 H new ATOM 0 HD13 LEU A 64 -0.690 -8.324 -3.926 1.00 51.40 H new ATOM 0 HD21 LEU A 64 -0.557 -7.905 -0.862 1.00 42.43 H new ATOM 0 HD22 LEU A 64 0.780 -8.608 -1.804 1.00 42.43 H new ATOM 0 HD23 LEU A 64 1.066 -7.178 -0.784 1.00 42.43 H new ATOM 1019 N VAL A 65 1.633 -3.480 -2.869 1.00 53.01 N ATOM 1020 CA VAL A 65 1.407 -2.270 -2.067 1.00 51.02 C ATOM 1021 C VAL A 65 0.887 -1.105 -2.928 1.00 5.15 C ATOM 1022 O VAL A 65 0.003 -0.355 -2.508 1.00 33.15 O ATOM 1023 CB VAL A 65 2.709 -1.835 -1.344 1.00 13.31 C ATOM 1024 CG1 VAL A 65 2.484 -0.575 -0.511 1.00 60.01 C ATOM 1025 CG2 VAL A 65 3.245 -2.967 -0.470 1.00 43.14 C ATOM 0 H VAL A 65 2.569 -3.873 -2.773 1.00 53.01 H new ATOM 0 HA VAL A 65 0.647 -2.518 -1.326 1.00 51.02 H new ATOM 0 HB VAL A 65 3.453 -1.605 -2.107 1.00 13.31 H new ATOM 0 HG11 VAL A 65 3.414 -0.295 -0.016 1.00 60.01 H new ATOM 0 HG12 VAL A 65 2.160 0.238 -1.161 1.00 60.01 H new ATOM 0 HG13 VAL A 65 1.718 -0.767 0.240 1.00 60.01 H new ATOM 0 HG21 VAL A 65 4.158 -2.641 0.028 1.00 43.14 H new ATOM 0 HG22 VAL A 65 2.499 -3.233 0.279 1.00 43.14 H new ATOM 0 HG23 VAL A 65 3.461 -3.836 -1.092 1.00 43.14 H new ATOM 1035 N ARG A 66 1.435 -0.966 -4.135 1.00 23.51 N ATOM 1036 CA ARG A 66 0.997 0.080 -5.066 1.00 65.41 C ATOM 1037 C ARG A 66 -0.483 -0.076 -5.468 1.00 12.13 C ATOM 1038 O ARG A 66 -1.191 0.919 -5.643 1.00 74.30 O ATOM 1039 CB ARG A 66 1.898 0.109 -6.312 1.00 0.04 C ATOM 1040 CG ARG A 66 3.252 0.775 -6.064 1.00 2.50 C ATOM 1041 CD ARG A 66 4.094 0.875 -7.335 1.00 63.41 C ATOM 1042 NE ARG A 66 4.817 -0.362 -7.632 1.00 34.15 N ATOM 1043 CZ ARG A 66 4.928 -0.880 -8.826 1.00 42.04 C ATOM 1044 NH1 ARG A 66 4.262 -0.391 -9.820 1.00 60.13 N ATOM 1045 NH2 ARG A 66 5.703 -1.897 -9.020 1.00 21.25 N ATOM 0 H ARG A 66 2.182 -1.562 -4.493 1.00 23.51 H new ATOM 0 HA ARG A 66 1.088 1.032 -4.543 1.00 65.41 H new ATOM 0 HB2 ARG A 66 2.061 -0.912 -6.658 1.00 0.04 H new ATOM 0 HB3 ARG A 66 1.382 0.638 -7.113 1.00 0.04 H new ATOM 0 HG2 ARG A 66 3.093 1.774 -5.657 1.00 2.50 H new ATOM 0 HG3 ARG A 66 3.800 0.208 -5.312 1.00 2.50 H new ATOM 0 HD2 ARG A 66 3.447 1.124 -8.176 1.00 63.41 H new ATOM 0 HD3 ARG A 66 4.808 1.692 -7.230 1.00 63.41 H new ATOM 0 HE ARG A 66 5.263 -0.852 -6.856 1.00 34.15 H new ATOM 0 HH11 ARG A 66 3.643 0.407 -9.676 1.00 60.13 H new ATOM 0 HH12 ARG A 66 4.356 -0.803 -10.748 1.00 60.13 H new ATOM 0 HH21 ARG A 66 6.227 -2.295 -8.241 1.00 21.25 H new ATOM 0 HH22 ARG A 66 5.790 -2.302 -9.952 1.00 21.25 H new ATOM 1059 N ASP A 67 -0.955 -1.317 -5.605 1.00 40.12 N ATOM 1060 CA ASP A 67 -2.370 -1.564 -5.915 1.00 24.23 C ATOM 1061 C ASP A 67 -3.254 -1.299 -4.685 1.00 51.11 C ATOM 1062 O ASP A 67 -4.336 -0.723 -4.800 1.00 31.41 O ATOM 1063 CB ASP A 67 -2.575 -2.994 -6.427 1.00 13.22 C ATOM 1064 CG ASP A 67 -4.004 -3.241 -6.904 1.00 52.32 C ATOM 1065 OD1 ASP A 67 -4.367 -2.745 -7.994 1.00 52.22 O ATOM 1066 OD2 ASP A 67 -4.760 -3.948 -6.205 1.00 61.51 O ATOM 0 H ASP A 67 -0.388 -2.159 -5.508 1.00 40.12 H new ATOM 0 HA ASP A 67 -2.667 -0.873 -6.704 1.00 24.23 H new ATOM 0 HB2 ASP A 67 -1.883 -3.187 -7.247 1.00 13.22 H new ATOM 0 HB3 ASP A 67 -2.333 -3.700 -5.633 1.00 13.22 H new ATOM 1071 N ILE A 68 -2.780 -1.709 -3.506 1.00 1.33 N ATOM 1072 CA ILE A 68 -3.492 -1.445 -2.247 1.00 52.11 C ATOM 1073 C ILE A 68 -3.703 0.067 -2.040 1.00 30.24 C ATOM 1074 O ILE A 68 -4.771 0.504 -1.603 1.00 52.54 O ATOM 1075 CB ILE A 68 -2.730 -2.036 -1.032 1.00 13.41 C ATOM 1076 CG1 ILE A 68 -2.574 -3.560 -1.184 1.00 33.51 C ATOM 1077 CG2 ILE A 68 -3.448 -1.695 0.278 1.00 21.05 C ATOM 1078 CD1 ILE A 68 -1.813 -4.217 -0.047 1.00 22.45 C ATOM 0 H ILE A 68 -1.907 -2.225 -3.394 1.00 1.33 H new ATOM 0 HA ILE A 68 -4.464 -1.933 -2.318 1.00 52.11 H new ATOM 0 HB ILE A 68 -1.736 -1.589 -1.001 1.00 13.41 H new ATOM 0 HG12 ILE A 68 -3.564 -4.011 -1.254 1.00 33.51 H new ATOM 0 HG13 ILE A 68 -2.060 -3.771 -2.122 1.00 33.51 H new ATOM 0 HG21 ILE A 68 -2.896 -2.119 1.117 1.00 21.05 H new ATOM 0 HG22 ILE A 68 -3.504 -0.612 0.391 1.00 21.05 H new ATOM 0 HG23 ILE A 68 -4.456 -2.110 0.259 1.00 21.05 H new ATOM 0 HD11 ILE A 68 -1.745 -5.290 -0.227 1.00 22.45 H new ATOM 0 HD12 ILE A 68 -0.810 -3.795 0.011 1.00 22.45 H new ATOM 0 HD13 ILE A 68 -2.337 -4.039 0.892 1.00 22.45 H new ATOM 1090 N ARG A 69 -2.676 0.855 -2.369 1.00 14.32 N ATOM 1091 CA ARG A 69 -2.774 2.320 -2.365 1.00 42.03 C ATOM 1092 C ARG A 69 -3.963 2.784 -3.228 1.00 45.13 C ATOM 1093 O ARG A 69 -4.805 3.571 -2.788 1.00 4.35 O ATOM 1094 CB ARG A 69 -1.467 2.930 -2.903 1.00 1.33 C ATOM 1095 CG ARG A 69 -1.446 4.457 -2.920 1.00 64.14 C ATOM 1096 CD ARG A 69 -0.210 4.999 -3.629 1.00 32.23 C ATOM 1097 NE ARG A 69 -0.176 6.462 -3.618 1.00 51.25 N ATOM 1098 CZ ARG A 69 0.042 7.211 -4.669 1.00 20.14 C ATOM 1099 NH1 ARG A 69 0.294 6.682 -5.822 1.00 1.54 N ATOM 1100 NH2 ARG A 69 0.025 8.498 -4.563 1.00 70.51 N ATOM 0 H ARG A 69 -1.760 0.501 -2.644 1.00 14.32 H new ATOM 0 HA ARG A 69 -2.936 2.657 -1.341 1.00 42.03 H new ATOM 0 HB2 ARG A 69 -0.636 2.574 -2.294 1.00 1.33 H new ATOM 0 HB3 ARG A 69 -1.299 2.565 -3.916 1.00 1.33 H new ATOM 0 HG2 ARG A 69 -2.342 4.827 -3.418 1.00 64.14 H new ATOM 0 HG3 ARG A 69 -1.472 4.832 -1.897 1.00 64.14 H new ATOM 0 HD2 ARG A 69 0.686 4.611 -3.145 1.00 32.23 H new ATOM 0 HD3 ARG A 69 -0.196 4.643 -4.659 1.00 32.23 H new ATOM 0 HE ARG A 69 -0.334 6.932 -2.727 1.00 51.25 H new ATOM 0 HH11 ARG A 69 0.325 5.667 -5.922 1.00 1.54 H new ATOM 0 HH12 ARG A 69 0.462 7.279 -6.632 1.00 1.54 H new ATOM 0 HH21 ARG A 69 -0.159 8.933 -3.659 1.00 70.51 H new ATOM 0 HH22 ARG A 69 0.195 9.080 -5.383 1.00 70.51 H new ATOM 1114 N ARG A 70 -4.021 2.269 -4.456 1.00 25.33 N ATOM 1115 CA ARG A 70 -5.120 2.557 -5.386 1.00 42.22 C ATOM 1116 C ARG A 70 -6.483 2.154 -4.800 1.00 22.54 C ATOM 1117 O ARG A 70 -7.443 2.917 -4.869 1.00 32.30 O ATOM 1118 CB ARG A 70 -4.880 1.809 -6.706 1.00 71.11 C ATOM 1119 CG ARG A 70 -6.030 1.905 -7.707 1.00 12.05 C ATOM 1120 CD ARG A 70 -5.784 1.016 -8.921 1.00 62.52 C ATOM 1121 NE ARG A 70 -4.588 1.417 -9.658 1.00 74.35 N ATOM 1122 CZ ARG A 70 -3.699 0.590 -10.137 1.00 62.10 C ATOM 1123 NH1 ARG A 70 -3.793 -0.687 -9.928 1.00 21.01 N ATOM 1124 NH2 ARG A 70 -2.695 1.058 -10.802 1.00 15.11 N ATOM 0 H ARG A 70 -3.312 1.642 -4.836 1.00 25.33 H new ATOM 0 HA ARG A 70 -5.141 3.632 -5.563 1.00 42.22 H new ATOM 0 HB2 ARG A 70 -3.976 2.201 -7.172 1.00 71.11 H new ATOM 0 HB3 ARG A 70 -4.694 0.758 -6.485 1.00 71.11 H new ATOM 0 HG2 ARG A 70 -6.962 1.613 -7.223 1.00 12.05 H new ATOM 0 HG3 ARG A 70 -6.149 2.939 -8.029 1.00 12.05 H new ATOM 0 HD2 ARG A 70 -5.680 -0.020 -8.597 1.00 62.52 H new ATOM 0 HD3 ARG A 70 -6.649 1.058 -9.583 1.00 62.52 H new ATOM 0 HE ARG A 70 -4.437 2.414 -9.809 1.00 74.35 H new ATOM 0 HH11 ARG A 70 -4.570 -1.059 -9.382 1.00 21.01 H new ATOM 0 HH12 ARG A 70 -3.090 -1.319 -10.310 1.00 21.01 H new ATOM 0 HH21 ARG A 70 -2.604 2.063 -10.948 1.00 15.11 H new ATOM 0 HH22 ARG A 70 -1.994 0.422 -11.181 1.00 15.11 H new ATOM 1138 N ARG A 71 -6.549 0.956 -4.218 1.00 32.42 N ATOM 1139 CA ARG A 71 -7.802 0.409 -3.673 1.00 22.31 C ATOM 1140 C ARG A 71 -8.510 1.391 -2.723 1.00 44.41 C ATOM 1141 O ARG A 71 -9.668 1.756 -2.939 1.00 62.44 O ATOM 1142 CB ARG A 71 -7.522 -0.913 -2.940 1.00 53.10 C ATOM 1143 CG ARG A 71 -7.007 -2.029 -3.848 1.00 33.11 C ATOM 1144 CD ARG A 71 -8.029 -2.407 -4.913 1.00 53.11 C ATOM 1145 NE ARG A 71 -9.298 -2.833 -4.319 1.00 75.15 N ATOM 1146 CZ ARG A 71 -10.465 -2.348 -4.641 1.00 51.22 C ATOM 1147 NH1 ARG A 71 -10.567 -1.411 -5.524 1.00 70.21 N ATOM 1148 NH2 ARG A 71 -11.532 -2.804 -4.071 1.00 52.41 N ATOM 0 H ARG A 71 -5.745 0.338 -4.109 1.00 32.42 H new ATOM 0 HA ARG A 71 -8.470 0.234 -4.516 1.00 22.31 H new ATOM 0 HB2 ARG A 71 -6.790 -0.732 -2.153 1.00 53.10 H new ATOM 0 HB3 ARG A 71 -8.438 -1.248 -2.453 1.00 53.10 H new ATOM 0 HG2 ARG A 71 -6.082 -1.709 -4.328 1.00 33.11 H new ATOM 0 HG3 ARG A 71 -6.767 -2.906 -3.247 1.00 33.11 H new ATOM 0 HD2 ARG A 71 -8.203 -1.554 -5.570 1.00 53.11 H new ATOM 0 HD3 ARG A 71 -7.629 -3.210 -5.532 1.00 53.11 H new ATOM 0 HE ARG A 71 -9.267 -3.560 -3.604 1.00 75.15 H new ATOM 0 HH11 ARG A 71 -9.730 -1.043 -5.977 1.00 70.21 H new ATOM 0 HH12 ARG A 71 -11.484 -1.039 -5.769 1.00 70.21 H new ATOM 0 HH21 ARG A 71 -11.460 -3.542 -3.371 1.00 52.41 H new ATOM 0 HH22 ARG A 71 -12.445 -2.426 -4.322 1.00 52.41 H new ATOM 1162 N GLY A 72 -7.808 1.815 -1.676 1.00 14.32 N ATOM 1163 CA GLY A 72 -8.401 2.714 -0.691 1.00 43.43 C ATOM 1164 C GLY A 72 -8.552 4.150 -1.188 1.00 42.25 C ATOM 1165 O GLY A 72 -9.533 4.823 -0.871 1.00 72.30 O ATOM 0 H GLY A 72 -6.840 1.555 -1.489 1.00 14.32 H new ATOM 0 HA2 GLY A 72 -9.381 2.332 -0.406 1.00 43.43 H new ATOM 0 HA3 GLY A 72 -7.785 2.712 0.208 1.00 43.43 H new ATOM 1169 N LYS A 73 -7.584 4.622 -1.973 1.00 52.34 N ATOM 1170 CA LYS A 73 -7.572 6.019 -2.430 1.00 54.25 C ATOM 1171 C LYS A 73 -8.664 6.290 -3.480 1.00 44.44 C ATOM 1172 O LYS A 73 -9.350 7.311 -3.422 1.00 63.34 O ATOM 1173 CB LYS A 73 -6.189 6.376 -2.989 1.00 72.51 C ATOM 1174 CG LYS A 73 -6.016 7.857 -3.328 1.00 55.54 C ATOM 1175 CD LYS A 73 -4.561 8.194 -3.647 1.00 11.31 C ATOM 1176 CE LYS A 73 -3.643 7.924 -2.456 1.00 25.00 C ATOM 1177 NZ LYS A 73 -3.969 8.787 -1.287 1.00 2.21 N ATOM 0 H LYS A 73 -6.799 4.063 -2.307 1.00 52.34 H new ATOM 0 HA LYS A 73 -7.787 6.652 -1.569 1.00 54.25 H new ATOM 0 HB2 LYS A 73 -5.430 6.090 -2.261 1.00 72.51 H new ATOM 0 HB3 LYS A 73 -6.008 5.785 -3.887 1.00 72.51 H new ATOM 0 HG2 LYS A 73 -6.645 8.111 -4.181 1.00 55.54 H new ATOM 0 HG3 LYS A 73 -6.356 8.465 -2.489 1.00 55.54 H new ATOM 0 HD2 LYS A 73 -4.230 7.605 -4.502 1.00 11.31 H new ATOM 0 HD3 LYS A 73 -4.485 9.243 -3.934 1.00 11.31 H new ATOM 0 HE2 LYS A 73 -3.725 6.876 -2.166 1.00 25.00 H new ATOM 0 HE3 LYS A 73 -2.608 8.092 -2.752 1.00 25.00 H new ATOM 0 HZ1 LYS A 73 -3.179 9.439 -1.106 1.00 2.21 H new ATOM 0 HZ2 LYS A 73 -4.830 9.334 -1.489 1.00 2.21 H new ATOM 0 HZ3 LYS A 73 -4.125 8.192 -0.449 1.00 2.21 H new