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= -1.02 USER MOD Set 1.2: A 61 GLN : amide:sc= 0.244 K(o=-0.77,f=-6.7!) USER MOD Single : A 31 MET CE :methyl -161:sc= -0.136 (180deg=-0.566) USER MOD Single : A 32 LYS NZ :NH3+ 167:sc= -0.043 (180deg=-0.248) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.165 X(o=-0.17,f=-0.4) USER MOD Single : A 49 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.74) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 147:sc= 0.781 (180deg=0.139) USER MOD ----------------------------------------------------------------- ATOM 349 N ASP A 24 -7.982 -6.698 0.043 1.00 14.14 N ATOM 350 CA ASP A 24 -6.625 -6.139 0.148 1.00 44.43 C ATOM 351 C ASP A 24 -5.932 -6.570 1.450 1.00 32.50 C ATOM 352 O ASP A 24 -4.781 -7.011 1.431 1.00 10.41 O ATOM 353 CB ASP A 24 -6.661 -4.605 0.038 1.00 53.42 C ATOM 354 CG ASP A 24 -7.992 -4.020 0.476 1.00 73.14 C ATOM 355 OD1 ASP A 24 -8.246 -3.948 1.693 1.00 54.33 O ATOM 356 OD2 ASP A 24 -8.798 -3.655 -0.410 1.00 22.32 O ATOM 0 HA ASP A 24 -6.042 -6.536 -0.683 1.00 44.43 H new ATOM 0 HB2 ASP A 24 -5.864 -4.182 0.649 1.00 53.42 H new ATOM 0 HB3 ASP A 24 -6.462 -4.313 -0.993 1.00 53.42 H new ATOM 361 N GLU A 25 -6.636 -6.441 2.571 1.00 44.52 N ATOM 362 CA GLU A 25 -6.140 -6.921 3.870 1.00 40.53 C ATOM 363 C GLU A 25 -5.670 -8.389 3.791 1.00 25.03 C ATOM 364 O GLU A 25 -4.583 -8.731 4.260 1.00 54.22 O ATOM 365 CB GLU A 25 -7.241 -6.777 4.935 1.00 14.41 C ATOM 366 CG GLU A 25 -7.624 -5.331 5.246 1.00 25.41 C ATOM 367 CD GLU A 25 -8.887 -5.209 6.098 1.00 24.23 C ATOM 368 OE1 GLU A 25 -9.344 -6.232 6.655 1.00 44.42 O ATOM 369 OE2 GLU A 25 -9.444 -4.090 6.191 1.00 62.10 O ATOM 0 H GLU A 25 -7.558 -6.006 2.612 1.00 44.52 H new ATOM 0 HA GLU A 25 -5.281 -6.311 4.148 1.00 40.53 H new ATOM 0 HB2 GLU A 25 -8.129 -7.312 4.599 1.00 14.41 H new ATOM 0 HB3 GLU A 25 -6.908 -7.259 5.854 1.00 14.41 H new ATOM 0 HG2 GLU A 25 -6.796 -4.847 5.765 1.00 25.41 H new ATOM 0 HG3 GLU A 25 -7.772 -4.793 4.310 1.00 25.41 H new ATOM 376 N ARG A 26 -6.488 -9.247 3.177 1.00 72.21 N ATOM 377 CA ARG A 26 -6.151 -10.669 3.012 1.00 65.21 C ATOM 378 C ARG A 26 -4.911 -10.866 2.123 1.00 73.23 C ATOM 379 O ARG A 26 -4.114 -11.779 2.346 1.00 61.21 O ATOM 380 CB ARG A 26 -7.344 -11.423 2.411 1.00 14.50 C ATOM 381 CG ARG A 26 -8.562 -11.485 3.325 1.00 51.11 C ATOM 382 CD ARG A 26 -8.279 -12.280 4.597 1.00 41.14 C ATOM 383 NE ARG A 26 -9.457 -12.373 5.453 1.00 54.12 N ATOM 384 CZ ARG A 26 -10.269 -13.396 5.485 1.00 55.33 C ATOM 385 NH1 ARG A 26 -10.063 -14.434 4.732 1.00 25.45 N ATOM 386 NH2 ARG A 26 -11.283 -13.383 6.284 1.00 5.32 N ATOM 0 H ARG A 26 -7.392 -8.984 2.784 1.00 72.21 H new ATOM 0 HA ARG A 26 -5.920 -11.069 3.999 1.00 65.21 H new ATOM 0 HB2 ARG A 26 -7.629 -10.944 1.475 1.00 14.50 H new ATOM 0 HB3 ARG A 26 -7.033 -12.439 2.167 1.00 14.50 H new ATOM 0 HG2 ARG A 26 -8.869 -10.473 3.590 1.00 51.11 H new ATOM 0 HG3 ARG A 26 -9.395 -11.941 2.790 1.00 51.11 H new ATOM 0 HD2 ARG A 26 -7.943 -13.282 4.332 1.00 41.14 H new ATOM 0 HD3 ARG A 26 -7.466 -11.807 5.148 1.00 41.14 H new ATOM 0 HE ARG A 26 -9.660 -11.585 6.068 1.00 54.12 H new ATOM 0 HH11 ARG A 26 -9.259 -14.458 4.105 1.00 25.45 H new ATOM 0 HH12 ARG A 26 -10.705 -15.225 4.768 1.00 25.45 H new ATOM 0 HH21 ARG A 26 -11.447 -12.577 6.887 1.00 5.32 H new ATOM 0 HH22 ARG A 26 -11.920 -14.179 6.313 1.00 5.32 H new ATOM 400 N ARG A 27 -4.762 -10.013 1.110 1.00 42.44 N ATOM 401 CA ARG A 27 -3.605 -10.073 0.207 1.00 41.41 C ATOM 402 C ARG A 27 -2.326 -9.590 0.909 1.00 70.51 C ATOM 403 O ARG A 27 -1.243 -10.141 0.699 1.00 64.50 O ATOM 404 CB ARG A 27 -3.871 -9.234 -1.052 1.00 2.51 C ATOM 405 CG ARG A 27 -5.068 -9.719 -1.866 1.00 74.21 C ATOM 406 CD ARG A 27 -4.838 -11.109 -2.456 1.00 15.33 C ATOM 407 NE ARG A 27 -3.778 -11.105 -3.466 1.00 50.32 N ATOM 408 CZ ARG A 27 -3.277 -12.180 -4.013 1.00 4.43 C ATOM 409 NH1 ARG A 27 -3.676 -13.355 -3.649 1.00 74.52 N ATOM 410 NH2 ARG A 27 -2.367 -12.074 -4.927 1.00 21.40 N ATOM 0 H ARG A 27 -5.426 -9.271 0.891 1.00 42.44 H new ATOM 0 HA ARG A 27 -3.457 -11.113 -0.084 1.00 41.41 H new ATOM 0 HB2 ARG A 27 -4.037 -8.197 -0.760 1.00 2.51 H new ATOM 0 HB3 ARG A 27 -2.983 -9.249 -1.683 1.00 2.51 H new ATOM 0 HG2 ARG A 27 -5.954 -9.737 -1.231 1.00 74.21 H new ATOM 0 HG3 ARG A 27 -5.268 -9.012 -2.672 1.00 74.21 H new ATOM 0 HD2 ARG A 27 -4.576 -11.803 -1.658 1.00 15.33 H new ATOM 0 HD3 ARG A 27 -5.764 -11.471 -2.903 1.00 15.33 H new ATOM 0 HE ARG A 27 -3.406 -10.203 -3.762 1.00 50.32 H new ATOM 0 HH11 ARG A 27 -4.390 -13.450 -2.927 1.00 74.52 H new ATOM 0 HH12 ARG A 27 -3.277 -14.187 -4.084 1.00 74.52 H new ATOM 0 HH21 ARG A 27 -2.042 -11.152 -5.219 1.00 21.40 H new ATOM 0 HH22 ARG A 27 -1.974 -12.912 -5.355 1.00 21.40 H new ATOM 424 N ALA A 28 -2.469 -8.569 1.751 1.00 72.22 N ATOM 425 CA ALA A 28 -1.337 -7.993 2.488 1.00 34.33 C ATOM 426 C ALA A 28 -0.652 -9.031 3.390 1.00 50.55 C ATOM 427 O ALA A 28 0.548 -9.286 3.266 1.00 65.21 O ATOM 428 CB ALA A 28 -1.809 -6.799 3.315 1.00 62.23 C ATOM 0 H ALA A 28 -3.363 -8.118 1.944 1.00 72.22 H new ATOM 0 HA ALA A 28 -0.599 -7.660 1.758 1.00 34.33 H new ATOM 0 HB1 ALA A 28 -0.964 -6.377 3.859 1.00 62.23 H new ATOM 0 HB2 ALA A 28 -2.230 -6.042 2.653 1.00 62.23 H new ATOM 0 HB3 ALA A 28 -2.570 -7.125 4.024 1.00 62.23 H new ATOM 434 N LEU A 29 -1.422 -9.632 4.292 1.00 54.12 N ATOM 435 CA LEU A 29 -0.883 -10.636 5.215 1.00 35.34 C ATOM 436 C LEU A 29 -0.395 -11.896 4.471 1.00 64.12 C ATOM 437 O LEU A 29 0.495 -12.602 4.945 1.00 71.34 O ATOM 438 CB LEU A 29 -1.929 -10.984 6.295 1.00 20.42 C ATOM 439 CG LEU A 29 -3.330 -11.393 5.789 1.00 2.42 C ATOM 440 CD1 LEU A 29 -3.375 -12.861 5.366 1.00 74.02 C ATOM 441 CD2 LEU A 29 -4.395 -11.102 6.848 1.00 35.31 C ATOM 0 H LEU A 29 -2.418 -9.445 4.407 1.00 54.12 H new ATOM 0 HA LEU A 29 -0.010 -10.208 5.708 1.00 35.34 H new ATOM 0 HB2 LEU A 29 -1.534 -11.798 6.903 1.00 20.42 H new ATOM 0 HB3 LEU A 29 -2.042 -10.121 6.952 1.00 20.42 H new ATOM 0 HG LEU A 29 -3.546 -10.792 4.906 1.00 2.42 H new ATOM 0 HD11 LEU A 29 -4.377 -13.108 5.017 1.00 74.02 H new ATOM 0 HD12 LEU A 29 -2.659 -13.030 4.562 1.00 74.02 H new ATOM 0 HD13 LEU A 29 -3.121 -13.493 6.217 1.00 74.02 H new ATOM 0 HD21 LEU A 29 -5.374 -11.398 6.470 1.00 35.31 H new ATOM 0 HD22 LEU A 29 -4.170 -11.665 7.754 1.00 35.31 H new ATOM 0 HD23 LEU A 29 -4.401 -10.036 7.075 1.00 35.31 H new ATOM 453 N ALA A 30 -0.971 -12.164 3.298 1.00 23.31 N ATOM 454 CA ALA A 30 -0.545 -13.296 2.463 1.00 55.25 C ATOM 455 C ALA A 30 0.846 -13.054 1.852 1.00 72.25 C ATOM 456 O ALA A 30 1.697 -13.948 1.837 1.00 51.44 O ATOM 457 CB ALA A 30 -1.573 -13.550 1.364 1.00 55.32 C ATOM 0 H ALA A 30 -1.734 -11.615 2.902 1.00 23.31 H new ATOM 0 HA ALA A 30 -0.476 -14.178 3.100 1.00 55.25 H new ATOM 0 HB1 ALA A 30 -1.249 -14.390 0.750 1.00 55.32 H new ATOM 0 HB2 ALA A 30 -2.538 -13.781 1.815 1.00 55.32 H new ATOM 0 HB3 ALA A 30 -1.667 -12.661 0.741 1.00 55.32 H new ATOM 463 N MET A 31 1.072 -11.834 1.359 1.00 3.53 N ATOM 464 CA MET A 31 2.363 -11.458 0.765 1.00 1.50 C ATOM 465 C MET A 31 3.352 -10.940 1.824 1.00 72.41 C ATOM 466 O MET A 31 4.371 -10.337 1.484 1.00 64.01 O ATOM 467 CB MET A 31 2.155 -10.392 -0.315 1.00 61.25 C ATOM 468 CG MET A 31 1.378 -10.890 -1.527 1.00 44.53 C ATOM 469 SD MET A 31 2.227 -12.222 -2.408 1.00 3.13 S ATOM 470 CE MET A 31 3.756 -11.417 -2.878 1.00 1.05 C ATOM 0 H MET A 31 0.378 -11.086 1.358 1.00 3.53 H new ATOM 0 HA MET A 31 2.792 -12.355 0.318 1.00 1.50 H new ATOM 0 HB2 MET A 31 1.626 -9.544 0.121 1.00 61.25 H new ATOM 0 HB3 MET A 31 3.128 -10.026 -0.644 1.00 61.25 H new ATOM 0 HG2 MET A 31 0.398 -11.241 -1.205 1.00 44.53 H new ATOM 0 HG3 MET A 31 1.209 -10.058 -2.211 1.00 44.53 H new ATOM 0 HE1 MET A 31 4.224 -11.971 -3.691 1.00 1.05 H new ATOM 0 HE2 MET A 31 3.545 -10.399 -3.207 1.00 1.05 H new ATOM 0 HE3 MET A 31 4.431 -11.390 -2.022 1.00 1.05 H new ATOM 480 N LYS A 32 3.037 -11.177 3.100 1.00 4.13 N ATOM 481 CA LYS A 32 3.933 -10.838 4.217 1.00 55.33 C ATOM 482 C LYS A 32 4.211 -9.325 4.310 1.00 54.24 C ATOM 483 O LYS A 32 5.367 -8.891 4.318 1.00 72.34 O ATOM 484 CB LYS A 32 5.253 -11.618 4.086 1.00 45.44 C ATOM 485 CG LYS A 32 5.060 -13.129 3.965 1.00 74.11 C ATOM 486 CD LYS A 32 6.384 -13.863 3.759 1.00 14.04 C ATOM 487 CE LYS A 32 7.304 -13.733 4.967 1.00 40.33 C ATOM 488 NZ LYS A 32 6.684 -14.290 6.199 1.00 72.24 N ATOM 0 H LYS A 32 2.159 -11.607 3.391 1.00 4.13 H new ATOM 0 HA LYS A 32 3.428 -11.126 5.139 1.00 55.33 H new ATOM 0 HB2 LYS A 32 5.793 -11.258 3.210 1.00 45.44 H new ATOM 0 HB3 LYS A 32 5.877 -11.408 4.954 1.00 45.44 H new ATOM 0 HG2 LYS A 32 4.574 -13.505 4.865 1.00 74.11 H new ATOM 0 HG3 LYS A 32 4.394 -13.343 3.130 1.00 74.11 H new ATOM 0 HD2 LYS A 32 6.187 -14.917 3.565 1.00 14.04 H new ATOM 0 HD3 LYS A 32 6.886 -13.465 2.877 1.00 14.04 H new ATOM 0 HE2 LYS A 32 8.242 -14.251 4.766 1.00 40.33 H new ATOM 0 HE3 LYS A 32 7.548 -12.683 5.126 1.00 40.33 H new ATOM 0 HZ1 LYS A 32 7.408 -14.386 6.939 1.00 72.24 H new ATOM 0 HZ2 LYS A 32 5.933 -13.650 6.530 1.00 72.24 H new ATOM 0 HZ3 LYS A 32 6.276 -15.224 5.991 1.00 72.24 H new ATOM 502 N ILE A 33 3.149 -8.526 4.365 1.00 43.35 N ATOM 503 CA ILE A 33 3.278 -7.080 4.574 1.00 33.25 C ATOM 504 C ILE A 33 3.187 -6.742 6.077 1.00 72.43 C ATOM 505 O ILE A 33 2.132 -6.903 6.693 1.00 41.34 O ATOM 506 CB ILE A 33 2.188 -6.301 3.793 1.00 52.14 C ATOM 507 CG1 ILE A 33 2.224 -6.674 2.296 1.00 55.50 C ATOM 508 CG2 ILE A 33 2.363 -4.794 3.977 1.00 11.10 C ATOM 509 CD1 ILE A 33 3.537 -6.364 1.604 1.00 34.34 C ATOM 0 H ILE A 33 2.187 -8.852 4.268 1.00 43.35 H new ATOM 0 HA ILE A 33 4.255 -6.776 4.197 1.00 33.25 H new ATOM 0 HB ILE A 33 1.214 -6.581 4.194 1.00 52.14 H new ATOM 0 HG12 ILE A 33 2.017 -7.739 2.195 1.00 55.50 H new ATOM 0 HG13 ILE A 33 1.423 -6.143 1.782 1.00 55.50 H new ATOM 0 HG21 ILE A 33 1.588 -4.267 3.421 1.00 11.10 H new ATOM 0 HG22 ILE A 33 2.283 -4.545 5.035 1.00 11.10 H new ATOM 0 HG23 ILE A 33 3.343 -4.494 3.607 1.00 11.10 H new ATOM 0 HD11 ILE A 33 3.474 -6.658 0.556 1.00 34.34 H new ATOM 0 HD12 ILE A 33 3.739 -5.295 1.670 1.00 34.34 H new ATOM 0 HD13 ILE A 33 4.343 -6.916 2.088 1.00 34.34 H new ATOM 521 N PRO A 34 4.297 -6.273 6.690 1.00 75.22 N ATOM 522 CA PRO A 34 4.365 -6.030 8.146 1.00 13.44 C ATOM 523 C PRO A 34 3.662 -4.738 8.611 1.00 62.12 C ATOM 524 O PRO A 34 3.452 -4.541 9.811 1.00 64.44 O ATOM 525 CB PRO A 34 5.875 -5.939 8.395 1.00 30.42 C ATOM 526 CG PRO A 34 6.430 -5.386 7.123 1.00 11.34 C ATOM 527 CD PRO A 34 5.577 -5.957 6.017 1.00 23.14 C ATOM 0 HA PRO A 34 3.849 -6.812 8.703 1.00 13.44 H new ATOM 0 HB2 PRO A 34 6.099 -5.290 9.241 1.00 30.42 H new ATOM 0 HB3 PRO A 34 6.300 -6.917 8.622 1.00 30.42 H new ATOM 0 HG2 PRO A 34 6.393 -4.297 7.122 1.00 11.34 H new ATOM 0 HG3 PRO A 34 7.475 -5.670 6.997 1.00 11.34 H new ATOM 0 HD2 PRO A 34 5.438 -5.240 5.208 1.00 23.14 H new ATOM 0 HD3 PRO A 34 6.030 -6.847 5.580 1.00 23.14 H new ATOM 535 N PHE A 35 3.302 -3.866 7.666 1.00 1.13 N ATOM 536 CA PHE A 35 2.661 -2.583 7.996 1.00 10.31 C ATOM 537 C PHE A 35 1.206 -2.521 7.483 1.00 40.52 C ATOM 538 O PHE A 35 0.892 -3.042 6.411 1.00 41.45 O ATOM 539 CB PHE A 35 3.491 -1.408 7.442 1.00 22.50 C ATOM 540 CG PHE A 35 3.889 -1.548 5.991 1.00 61.24 C ATOM 541 CD1 PHE A 35 5.080 -2.170 5.643 1.00 72.32 C ATOM 542 CD2 PHE A 35 3.080 -1.052 4.977 1.00 2.24 C ATOM 543 CE1 PHE A 35 5.452 -2.296 4.319 1.00 71.20 C ATOM 544 CE2 PHE A 35 3.449 -1.178 3.652 1.00 41.12 C ATOM 545 CZ PHE A 35 4.636 -1.799 3.323 1.00 33.51 C ATOM 0 H PHE A 35 3.441 -4.021 6.668 1.00 1.13 H new ATOM 0 HA PHE A 35 2.623 -2.501 9.082 1.00 10.31 H new ATOM 0 HB2 PHE A 35 2.919 -0.488 7.561 1.00 22.50 H new ATOM 0 HB3 PHE A 35 4.393 -1.302 8.044 1.00 22.50 H new ATOM 0 HD1 PHE A 35 5.724 -2.560 6.417 1.00 72.32 H new ATOM 0 HD2 PHE A 35 2.151 -0.562 5.228 1.00 2.24 H new ATOM 0 HE1 PHE A 35 6.381 -2.783 4.063 1.00 71.20 H new ATOM 0 HE2 PHE A 35 2.808 -0.790 2.874 1.00 41.12 H new ATOM 0 HZ PHE A 35 4.926 -1.896 2.287 1.00 33.51 H new ATOM 555 N PRO A 36 0.302 -1.867 8.249 1.00 4.53 N ATOM 556 CA PRO A 36 -1.143 -1.829 7.936 1.00 73.52 C ATOM 557 C PRO A 36 -1.485 -1.063 6.643 1.00 24.34 C ATOM 558 O PRO A 36 -0.840 -0.071 6.292 1.00 14.42 O ATOM 559 CB PRO A 36 -1.752 -1.118 9.157 1.00 64.52 C ATOM 560 CG PRO A 36 -0.634 -0.306 9.717 1.00 3.31 C ATOM 561 CD PRO A 36 0.614 -1.114 9.481 1.00 72.21 C ATOM 0 HA PRO A 36 -1.529 -2.832 7.757 1.00 73.52 H new ATOM 0 HB2 PRO A 36 -2.594 -0.488 8.870 1.00 64.52 H new ATOM 0 HB3 PRO A 36 -2.125 -1.835 9.888 1.00 64.52 H new ATOM 0 HG2 PRO A 36 -0.571 0.665 9.225 1.00 3.31 H new ATOM 0 HG3 PRO A 36 -0.782 -0.116 10.780 1.00 3.31 H new ATOM 0 HD2 PRO A 36 1.488 -0.476 9.352 1.00 72.21 H new ATOM 0 HD3 PRO A 36 0.826 -1.780 10.317 1.00 72.21 H new ATOM 569 N THR A 37 -2.539 -1.517 5.962 1.00 33.23 N ATOM 570 CA THR A 37 -2.987 -0.911 4.699 1.00 74.31 C ATOM 571 C THR A 37 -3.466 0.536 4.890 1.00 45.40 C ATOM 572 O THR A 37 -3.303 1.375 4.001 1.00 40.32 O ATOM 573 CB THR A 37 -4.128 -1.735 4.053 1.00 73.24 C ATOM 574 OG1 THR A 37 -5.261 -1.772 4.931 1.00 5.45 O ATOM 575 CG2 THR A 37 -3.673 -3.161 3.751 1.00 14.31 C ATOM 0 H THR A 37 -3.105 -2.310 6.265 1.00 33.23 H new ATOM 0 HA THR A 37 -2.119 -0.908 4.039 1.00 74.31 H new ATOM 0 HB THR A 37 -4.404 -1.253 3.115 1.00 73.24 H new ATOM 0 HG1 THR A 37 -5.980 -2.293 4.516 1.00 5.45 H new ATOM 0 HG21 THR A 37 -4.494 -3.717 3.298 1.00 14.31 H new ATOM 0 HG22 THR A 37 -2.829 -3.135 3.062 1.00 14.31 H new ATOM 0 HG23 THR A 37 -3.371 -3.650 4.677 1.00 14.31 H new ATOM 583 N ASP A 38 -4.058 0.825 6.050 1.00 64.25 N ATOM 584 CA ASP A 38 -4.505 2.185 6.378 1.00 61.35 C ATOM 585 C ASP A 38 -3.345 3.194 6.300 1.00 32.20 C ATOM 586 O ASP A 38 -3.531 4.346 5.903 1.00 55.04 O ATOM 587 CB ASP A 38 -5.135 2.208 7.773 1.00 64.42 C ATOM 588 CG ASP A 38 -6.348 1.302 7.860 1.00 54.12 C ATOM 589 OD1 ASP A 38 -6.181 0.102 8.150 1.00 61.10 O ATOM 590 OD2 ASP A 38 -7.479 1.783 7.629 1.00 52.52 O ATOM 0 H ASP A 38 -4.240 0.137 6.780 1.00 64.25 H new ATOM 0 HA ASP A 38 -5.252 2.480 5.641 1.00 61.35 H new ATOM 0 HB2 ASP A 38 -4.395 1.897 8.511 1.00 64.42 H new ATOM 0 HB3 ASP A 38 -5.425 3.228 8.024 1.00 64.42 H new ATOM 595 N LYS A 39 -2.148 2.753 6.682 1.00 35.14 N ATOM 596 CA LYS A 39 -0.949 3.587 6.568 1.00 61.32 C ATOM 597 C LYS A 39 -0.573 3.784 5.092 1.00 74.31 C ATOM 598 O LYS A 39 -0.249 4.889 4.665 1.00 44.32 O ATOM 599 CB LYS A 39 0.216 2.954 7.349 1.00 32.03 C ATOM 600 CG LYS A 39 1.522 3.746 7.275 1.00 60.44 C ATOM 601 CD LYS A 39 2.614 3.150 8.168 1.00 51.33 C ATOM 602 CE LYS A 39 2.254 3.234 9.651 1.00 23.13 C ATOM 603 NZ LYS A 39 3.380 2.801 10.524 1.00 34.34 N ATOM 0 H LYS A 39 -1.981 1.826 7.072 1.00 35.14 H new ATOM 0 HA LYS A 39 -1.160 4.566 6.999 1.00 61.32 H new ATOM 0 HB2 LYS A 39 -0.075 2.851 8.394 1.00 32.03 H new ATOM 0 HB3 LYS A 39 0.391 1.948 6.967 1.00 32.03 H new ATOM 0 HG2 LYS A 39 1.872 3.769 6.243 1.00 60.44 H new ATOM 0 HG3 LYS A 39 1.336 4.778 7.572 1.00 60.44 H new ATOM 0 HD2 LYS A 39 2.777 2.108 7.894 1.00 51.33 H new ATOM 0 HD3 LYS A 39 3.552 3.676 7.993 1.00 51.33 H new ATOM 0 HE2 LYS A 39 1.976 4.258 9.899 1.00 23.13 H new ATOM 0 HE3 LYS A 39 1.382 2.611 9.848 1.00 23.13 H new ATOM 0 HZ1 LYS A 39 3.094 2.873 11.521 1.00 34.34 H new ATOM 0 HZ2 LYS A 39 3.629 1.815 10.306 1.00 34.34 H new ATOM 0 HZ3 LYS A 39 4.205 3.412 10.355 1.00 34.34 H new ATOM 617 N ILE A 40 -0.655 2.701 4.322 1.00 13.25 N ATOM 618 CA ILE A 40 -0.363 2.724 2.882 1.00 23.31 C ATOM 619 C ILE A 40 -1.210 3.779 2.139 1.00 53.11 C ATOM 620 O ILE A 40 -0.692 4.573 1.353 1.00 52.21 O ATOM 621 CB ILE A 40 -0.639 1.332 2.252 1.00 40.10 C ATOM 622 CG1 ILE A 40 0.216 0.253 2.933 1.00 10.33 C ATOM 623 CG2 ILE A 40 -0.390 1.348 0.745 1.00 35.33 C ATOM 624 CD1 ILE A 40 -0.029 -1.147 2.400 1.00 40.25 C ATOM 0 H ILE A 40 -0.925 1.782 4.674 1.00 13.25 H new ATOM 0 HA ILE A 40 0.690 2.984 2.776 1.00 23.31 H new ATOM 0 HB ILE A 40 -1.690 1.092 2.413 1.00 40.10 H new ATOM 0 HG12 ILE A 40 1.269 0.502 2.804 1.00 10.33 H new ATOM 0 HG13 ILE A 40 0.014 0.265 4.004 1.00 10.33 H new ATOM 0 HG21 ILE A 40 -0.592 0.359 0.332 1.00 35.33 H new ATOM 0 HG22 ILE A 40 -1.049 2.079 0.275 1.00 35.33 H new ATOM 0 HG23 ILE A 40 0.648 1.617 0.551 1.00 35.33 H new ATOM 0 HD11 ILE A 40 0.610 -1.854 2.928 1.00 40.25 H new ATOM 0 HD12 ILE A 40 -1.074 -1.417 2.553 1.00 40.25 H new ATOM 0 HD13 ILE A 40 0.201 -1.176 1.335 1.00 40.25 H new ATOM 636 N VAL A 41 -2.516 3.775 2.399 1.00 74.44 N ATOM 637 CA VAL A 41 -3.461 4.664 1.705 1.00 45.01 C ATOM 638 C VAL A 41 -3.282 6.143 2.099 1.00 22.13 C ATOM 639 O VAL A 41 -3.440 7.047 1.272 1.00 0.42 O ATOM 640 CB VAL A 41 -4.924 4.243 2.004 1.00 70.10 C ATOM 641 CG1 VAL A 41 -5.916 5.092 1.210 1.00 64.34 C ATOM 642 CG2 VAL A 41 -5.128 2.759 1.710 1.00 11.15 C ATOM 0 H VAL A 41 -2.951 3.163 3.089 1.00 74.44 H new ATOM 0 HA VAL A 41 -3.247 4.567 0.641 1.00 45.01 H new ATOM 0 HB VAL A 41 -5.112 4.413 3.064 1.00 70.10 H new ATOM 0 HG11 VAL A 41 -6.933 4.774 1.440 1.00 64.34 H new ATOM 0 HG12 VAL A 41 -5.794 6.141 1.479 1.00 64.34 H new ATOM 0 HG13 VAL A 41 -5.729 4.967 0.143 1.00 64.34 H new ATOM 0 HG21 VAL A 41 -6.160 2.484 1.926 1.00 11.15 H new ATOM 0 HG22 VAL A 41 -4.913 2.563 0.660 1.00 11.15 H new ATOM 0 HG23 VAL A 41 -4.457 2.169 2.334 1.00 11.15 H new ATOM 652 N ASN A 42 -2.952 6.386 3.364 1.00 61.41 N ATOM 653 CA ASN A 42 -2.917 7.751 3.913 1.00 41.02 C ATOM 654 C ASN A 42 -1.557 8.454 3.735 1.00 24.11 C ATOM 655 O ASN A 42 -1.410 9.626 4.097 1.00 65.15 O ATOM 656 CB ASN A 42 -3.326 7.711 5.388 1.00 34.53 C ATOM 657 CG ASN A 42 -4.815 7.451 5.546 1.00 11.43 C ATOM 658 OD1 ASN A 42 -5.635 8.032 4.842 1.00 72.31 O ATOM 659 ND2 ASN A 42 -5.178 6.546 6.430 1.00 53.14 N ATOM 0 H ASN A 42 -2.704 5.659 4.035 1.00 61.41 H new ATOM 0 HA ASN A 42 -3.628 8.349 3.342 1.00 41.02 H new ATOM 0 HB2 ASN A 42 -2.763 6.932 5.902 1.00 34.53 H new ATOM 0 HB3 ASN A 42 -3.068 8.657 5.864 1.00 34.53 H new ATOM 0 HD21 ASN A 42 -6.164 6.311 6.544 1.00 53.14 H new ATOM 0 HD22 ASN A 42 -4.473 6.080 7.001 1.00 53.14 H new ATOM 666 N LEU A 43 -0.570 7.759 3.173 1.00 42.14 N ATOM 667 CA LEU A 43 0.722 8.387 2.849 1.00 34.22 C ATOM 668 C LEU A 43 0.707 9.000 1.436 1.00 43.13 C ATOM 669 O LEU A 43 0.172 8.404 0.499 1.00 71.11 O ATOM 670 CB LEU A 43 1.868 7.369 2.967 1.00 35.31 C ATOM 671 CG LEU A 43 2.158 6.862 4.389 1.00 34.23 C ATOM 672 CD1 LEU A 43 3.311 5.864 4.378 1.00 24.45 C ATOM 673 CD2 LEU A 43 2.461 8.027 5.330 1.00 43.52 C ATOM 0 H LEU A 43 -0.632 6.770 2.932 1.00 42.14 H new ATOM 0 HA LEU A 43 0.886 9.188 3.569 1.00 34.22 H new ATOM 0 HB2 LEU A 43 1.636 6.512 2.335 1.00 35.31 H new ATOM 0 HB3 LEU A 43 2.776 7.822 2.569 1.00 35.31 H new ATOM 0 HG LEU A 43 1.267 6.353 4.757 1.00 34.23 H new ATOM 0 HD11 LEU A 43 3.501 5.517 5.393 1.00 24.45 H new ATOM 0 HD12 LEU A 43 3.051 5.014 3.747 1.00 24.45 H new ATOM 0 HD13 LEU A 43 4.206 6.347 3.986 1.00 24.45 H new ATOM 0 HD21 LEU A 43 2.663 7.644 6.330 1.00 43.52 H new ATOM 0 HD22 LEU A 43 3.333 8.571 4.967 1.00 43.52 H new ATOM 0 HD23 LEU A 43 1.603 8.699 5.365 1.00 43.52 H new ATOM 685 N PRO A 44 1.258 10.222 1.264 1.00 33.31 N ATOM 686 CA PRO A 44 1.386 10.858 -0.062 1.00 30.23 C ATOM 687 C PRO A 44 2.488 10.204 -0.914 1.00 64.52 C ATOM 688 O PRO A 44 3.267 9.400 -0.409 1.00 74.33 O ATOM 689 CB PRO A 44 1.747 12.309 0.281 1.00 71.42 C ATOM 690 CG PRO A 44 2.445 12.219 1.594 1.00 11.14 C ATOM 691 CD PRO A 44 1.790 11.085 2.342 1.00 65.42 C ATOM 0 HA PRO A 44 0.478 10.764 -0.658 1.00 30.23 H new ATOM 0 HB2 PRO A 44 2.390 12.749 -0.481 1.00 71.42 H new ATOM 0 HB3 PRO A 44 0.857 12.935 0.347 1.00 71.42 H new ATOM 0 HG2 PRO A 44 3.510 12.031 1.457 1.00 11.14 H new ATOM 0 HG3 PRO A 44 2.355 13.154 2.148 1.00 11.14 H new ATOM 0 HD2 PRO A 44 2.505 10.551 2.968 1.00 65.42 H new ATOM 0 HD3 PRO A 44 0.997 11.442 2.998 1.00 65.42 H new ATOM 699 N VAL A 45 2.564 10.569 -2.198 1.00 23.13 N ATOM 700 CA VAL A 45 3.517 9.944 -3.132 1.00 32.43 C ATOM 701 C VAL A 45 4.954 9.890 -2.565 1.00 55.02 C ATOM 702 O VAL A 45 5.605 8.847 -2.609 1.00 60.24 O ATOM 703 CB VAL A 45 3.517 10.674 -4.505 1.00 2.14 C ATOM 704 CG1 VAL A 45 3.903 12.143 -4.350 1.00 35.01 C ATOM 705 CG2 VAL A 45 4.437 9.968 -5.501 1.00 63.50 C ATOM 0 H VAL A 45 1.980 11.292 -2.617 1.00 23.13 H new ATOM 0 HA VAL A 45 3.179 8.917 -3.273 1.00 32.43 H new ATOM 0 HB VAL A 45 2.502 10.637 -4.900 1.00 2.14 H new ATOM 0 HG11 VAL A 45 3.894 12.627 -5.327 1.00 35.01 H new ATOM 0 HG12 VAL A 45 3.189 12.639 -3.693 1.00 35.01 H new ATOM 0 HG13 VAL A 45 4.902 12.213 -3.919 1.00 35.01 H new ATOM 0 HG21 VAL A 45 4.419 10.499 -6.453 1.00 63.50 H new ATOM 0 HG22 VAL A 45 5.455 9.957 -5.111 1.00 63.50 H new ATOM 0 HG23 VAL A 45 4.094 8.944 -5.650 1.00 63.50 H new ATOM 715 N ASP A 46 5.427 11.003 -2.004 1.00 3.24 N ATOM 716 CA ASP A 46 6.789 11.083 -1.460 1.00 23.32 C ATOM 717 C ASP A 46 7.007 10.101 -0.296 1.00 42.10 C ATOM 718 O ASP A 46 7.825 9.182 -0.397 1.00 72.42 O ATOM 719 CB ASP A 46 7.081 12.514 -1.006 1.00 65.33 C ATOM 720 CG ASP A 46 6.954 13.508 -2.145 1.00 65.43 C ATOM 721 OD1 ASP A 46 5.843 14.025 -2.367 1.00 2.23 O ATOM 722 OD2 ASP A 46 7.964 13.762 -2.833 1.00 61.13 O ATOM 0 H ASP A 46 4.889 11.865 -1.913 1.00 3.24 H new ATOM 0 HA ASP A 46 7.480 10.801 -2.254 1.00 23.32 H new ATOM 0 HB2 ASP A 46 6.393 12.788 -0.207 1.00 65.33 H new ATOM 0 HB3 ASP A 46 8.088 12.565 -0.591 1.00 65.33 H new ATOM 727 N ASP A 47 6.265 10.292 0.798 1.00 42.14 N ATOM 728 CA ASP A 47 6.365 9.415 1.973 1.00 12.45 C ATOM 729 C ASP A 47 6.105 7.942 1.612 1.00 4.00 C ATOM 730 O ASP A 47 6.703 7.036 2.196 1.00 61.44 O ATOM 731 CB ASP A 47 5.378 9.874 3.052 1.00 22.40 C ATOM 732 CG ASP A 47 5.723 11.247 3.604 1.00 60.35 C ATOM 733 OD1 ASP A 47 5.521 12.252 2.890 1.00 35.21 O ATOM 734 OD2 ASP A 47 6.210 11.330 4.750 1.00 33.22 O ATOM 0 H ASP A 47 5.586 11.047 0.897 1.00 42.14 H new ATOM 0 HA ASP A 47 7.384 9.486 2.355 1.00 12.45 H new ATOM 0 HB2 ASP A 47 4.371 9.895 2.635 1.00 22.40 H new ATOM 0 HB3 ASP A 47 5.370 9.149 3.866 1.00 22.40 H new ATOM 739 N PHE A 48 5.217 7.718 0.645 1.00 73.13 N ATOM 740 CA PHE A 48 4.899 6.367 0.164 1.00 0.02 C ATOM 741 C PHE A 48 6.131 5.690 -0.465 1.00 71.21 C ATOM 742 O PHE A 48 6.493 4.568 -0.100 1.00 53.52 O ATOM 743 CB PHE A 48 3.754 6.437 -0.857 1.00 52.54 C ATOM 744 CG PHE A 48 3.372 5.102 -1.446 1.00 0.01 C ATOM 745 CD1 PHE A 48 2.482 4.267 -0.788 1.00 0.45 C ATOM 746 CD2 PHE A 48 3.906 4.682 -2.657 1.00 73.21 C ATOM 747 CE1 PHE A 48 2.135 3.044 -1.324 1.00 15.55 C ATOM 748 CE2 PHE A 48 3.560 3.460 -3.197 1.00 20.11 C ATOM 749 CZ PHE A 48 2.674 2.641 -2.530 1.00 54.33 C ATOM 0 H PHE A 48 4.699 8.459 0.173 1.00 73.13 H new ATOM 0 HA PHE A 48 4.589 5.765 1.018 1.00 0.02 H new ATOM 0 HB2 PHE A 48 2.879 6.874 -0.376 1.00 52.54 H new ATOM 0 HB3 PHE A 48 4.042 7.109 -1.665 1.00 52.54 H new ATOM 0 HD1 PHE A 48 2.056 4.577 0.155 1.00 0.45 H new ATOM 0 HD2 PHE A 48 4.601 5.320 -3.183 1.00 73.21 H new ATOM 0 HE1 PHE A 48 1.442 2.402 -0.801 1.00 15.55 H new ATOM 0 HE2 PHE A 48 3.982 3.146 -4.140 1.00 20.11 H new ATOM 0 HZ PHE A 48 2.401 1.684 -2.951 1.00 54.33 H new ATOM 759 N ASN A 49 6.771 6.379 -1.409 1.00 52.33 N ATOM 760 CA ASN A 49 7.970 5.852 -2.074 1.00 64.31 C ATOM 761 C ASN A 49 9.107 5.620 -1.067 1.00 43.51 C ATOM 762 O ASN A 49 9.954 4.743 -1.253 1.00 4.34 O ATOM 763 CB ASN A 49 8.433 6.807 -3.181 1.00 24.14 C ATOM 764 CG ASN A 49 7.356 7.065 -4.222 1.00 34.42 C ATOM 765 OD1 ASN A 49 6.481 6.238 -4.459 1.00 14.32 O ATOM 766 ND2 ASN A 49 7.422 8.211 -4.865 1.00 41.32 N ATOM 0 H ASN A 49 6.483 7.302 -1.733 1.00 52.33 H new ATOM 0 HA ASN A 49 7.709 4.892 -2.520 1.00 64.31 H new ATOM 0 HB2 ASN A 49 8.735 7.754 -2.735 1.00 24.14 H new ATOM 0 HB3 ASN A 49 9.313 6.390 -3.670 1.00 24.14 H new ATOM 0 HD21 ASN A 49 6.733 8.433 -5.584 1.00 41.32 H new ATOM 0 HD22 ASN A 49 8.162 8.878 -4.645 1.00 41.32 H new ATOM 773 N GLU A 50 9.122 6.420 -0.003 1.00 72.23 N ATOM 774 CA GLU A 50 10.083 6.239 1.089 1.00 45.21 C ATOM 775 C GLU A 50 9.722 5.005 1.930 1.00 52.45 C ATOM 776 O GLU A 50 10.596 4.234 2.325 1.00 72.13 O ATOM 777 CB GLU A 50 10.125 7.489 1.979 1.00 55.11 C ATOM 778 CG GLU A 50 10.493 8.762 1.226 1.00 13.02 C ATOM 779 CD GLU A 50 10.588 9.977 2.132 1.00 10.54 C ATOM 780 OE1 GLU A 50 9.538 10.494 2.560 1.00 62.11 O ATOM 781 OE2 GLU A 50 11.722 10.420 2.425 1.00 23.43 O ATOM 0 H GLU A 50 8.480 7.201 0.129 1.00 72.23 H new ATOM 0 HA GLU A 50 11.070 6.085 0.652 1.00 45.21 H new ATOM 0 HB2 GLU A 50 9.151 7.623 2.449 1.00 55.11 H new ATOM 0 HB3 GLU A 50 10.846 7.330 2.781 1.00 55.11 H new ATOM 0 HG2 GLU A 50 11.448 8.616 0.721 1.00 13.02 H new ATOM 0 HG3 GLU A 50 9.748 8.949 0.453 1.00 13.02 H new ATOM 788 N LEU A 51 8.426 4.821 2.188 1.00 20.33 N ATOM 789 CA LEU A 51 7.932 3.655 2.936 1.00 42.43 C ATOM 790 C LEU A 51 8.448 2.346 2.317 1.00 52.04 C ATOM 791 O LEU A 51 8.962 1.471 3.016 1.00 41.25 O ATOM 792 CB LEU A 51 6.394 3.651 2.945 1.00 73.24 C ATOM 793 CG LEU A 51 5.729 2.494 3.715 1.00 0.12 C ATOM 794 CD1 LEU A 51 5.986 2.614 5.215 1.00 13.14 C ATOM 795 CD2 LEU A 51 4.228 2.442 3.429 1.00 53.24 C ATOM 0 H LEU A 51 7.694 5.466 1.890 1.00 20.33 H new ATOM 0 HA LEU A 51 8.303 3.724 3.959 1.00 42.43 H new ATOM 0 HB2 LEU A 51 6.050 4.592 3.374 1.00 73.24 H new ATOM 0 HB3 LEU A 51 6.044 3.624 1.913 1.00 73.24 H new ATOM 0 HG LEU A 51 6.176 1.562 3.369 1.00 0.12 H new ATOM 0 HD11 LEU A 51 5.505 1.785 5.734 1.00 13.14 H new ATOM 0 HD12 LEU A 51 7.059 2.587 5.404 1.00 13.14 H new ATOM 0 HD13 LEU A 51 5.577 3.556 5.580 1.00 13.14 H new ATOM 0 HD21 LEU A 51 3.780 1.617 3.984 1.00 53.24 H new ATOM 0 HD22 LEU A 51 3.766 3.380 3.738 1.00 53.24 H new ATOM 0 HD23 LEU A 51 4.066 2.292 2.362 1.00 53.24 H new ATOM 807 N LEU A 52 8.318 2.234 0.996 1.00 42.35 N ATOM 808 CA LEU A 52 8.798 1.057 0.259 1.00 24.14 C ATOM 809 C LEU A 52 10.303 0.818 0.482 1.00 51.52 C ATOM 810 O LEU A 52 10.757 -0.321 0.590 1.00 73.34 O ATOM 811 CB LEU A 52 8.520 1.234 -1.241 1.00 24.22 C ATOM 812 CG LEU A 52 7.042 1.424 -1.621 1.00 20.42 C ATOM 813 CD1 LEU A 52 6.895 1.652 -3.125 1.00 55.31 C ATOM 814 CD2 LEU A 52 6.207 0.223 -1.176 1.00 51.23 C ATOM 0 H LEU A 52 7.883 2.945 0.408 1.00 42.35 H new ATOM 0 HA LEU A 52 8.261 0.187 0.637 1.00 24.14 H new ATOM 0 HB2 LEU A 52 9.083 2.096 -1.598 1.00 24.22 H new ATOM 0 HB3 LEU A 52 8.904 0.362 -1.770 1.00 24.22 H new ATOM 0 HG LEU A 52 6.671 2.308 -1.102 1.00 20.42 H new ATOM 0 HD11 LEU A 52 5.842 1.784 -3.372 1.00 55.31 H new ATOM 0 HD12 LEU A 52 7.450 2.545 -3.414 1.00 55.31 H new ATOM 0 HD13 LEU A 52 7.289 0.790 -3.664 1.00 55.31 H new ATOM 0 HD21 LEU A 52 5.165 0.380 -1.456 1.00 51.23 H new ATOM 0 HD22 LEU A 52 6.580 -0.679 -1.660 1.00 51.23 H new ATOM 0 HD23 LEU A 52 6.279 0.110 -0.094 1.00 51.23 H new ATOM 826 N ALA A 53 11.067 1.904 0.562 1.00 35.41 N ATOM 827 CA ALA A 53 12.525 1.824 0.722 1.00 53.41 C ATOM 828 C ALA A 53 12.945 1.509 2.170 1.00 60.23 C ATOM 829 O ALA A 53 14.073 1.080 2.417 1.00 31.34 O ATOM 830 CB ALA A 53 13.171 3.126 0.257 1.00 50.00 C ATOM 0 H ALA A 53 10.703 2.856 0.519 1.00 35.41 H new ATOM 0 HA ALA A 53 12.874 0.997 0.103 1.00 53.41 H new ATOM 0 HB1 ALA A 53 14.252 3.059 0.379 1.00 50.00 H new ATOM 0 HB2 ALA A 53 12.934 3.295 -0.793 1.00 50.00 H new ATOM 0 HB3 ALA A 53 12.789 3.955 0.853 1.00 50.00 H new ATOM 836 N ARG A 54 12.037 1.721 3.124 1.00 4.21 N ATOM 837 CA ARG A 54 12.343 1.510 4.549 1.00 50.15 C ATOM 838 C ARG A 54 12.053 0.067 4.999 1.00 73.44 C ATOM 839 O ARG A 54 12.321 -0.300 6.144 1.00 53.21 O ATOM 840 CB ARG A 54 11.546 2.496 5.419 1.00 42.32 C ATOM 841 CG ARG A 54 11.875 3.961 5.140 1.00 32.13 C ATOM 842 CD ARG A 54 11.085 4.906 6.041 1.00 74.35 C ATOM 843 NE ARG A 54 11.444 4.753 7.451 1.00 12.13 N ATOM 844 CZ ARG A 54 11.255 5.668 8.364 1.00 1.41 C ATOM 845 NH1 ARG A 54 10.729 6.814 8.061 1.00 53.14 N ATOM 846 NH2 ARG A 54 11.605 5.433 9.584 1.00 24.34 N ATOM 0 H ARG A 54 11.085 2.038 2.941 1.00 4.21 H new ATOM 0 HA ARG A 54 13.411 1.689 4.677 1.00 50.15 H new ATOM 0 HB2 ARG A 54 10.481 2.334 5.255 1.00 42.32 H new ATOM 0 HB3 ARG A 54 11.743 2.282 6.469 1.00 42.32 H new ATOM 0 HG2 ARG A 54 12.942 4.127 5.287 1.00 32.13 H new ATOM 0 HG3 ARG A 54 11.658 4.189 4.096 1.00 32.13 H new ATOM 0 HD2 ARG A 54 11.265 5.936 5.732 1.00 74.35 H new ATOM 0 HD3 ARG A 54 10.019 4.717 5.917 1.00 74.35 H new ATOM 0 HE ARG A 54 11.870 3.873 7.741 1.00 12.13 H new ATOM 0 HH11 ARG A 54 10.456 7.011 7.098 1.00 53.14 H new ATOM 0 HH12 ARG A 54 10.588 7.518 8.786 1.00 53.14 H new ATOM 0 HH21 ARG A 54 12.026 4.537 9.830 1.00 24.34 H new ATOM 0 HH22 ARG A 54 11.460 6.143 10.302 1.00 24.34 H new ATOM 860 N TYR A 55 11.502 -0.746 4.100 1.00 21.23 N ATOM 861 CA TYR A 55 11.180 -2.144 4.415 1.00 31.30 C ATOM 862 C TYR A 55 11.738 -3.105 3.351 1.00 12.12 C ATOM 863 O TYR A 55 11.654 -2.831 2.153 1.00 11.02 O ATOM 864 CB TYR A 55 9.658 -2.323 4.546 1.00 4.13 C ATOM 865 CG TYR A 55 9.065 -1.632 5.764 1.00 2.33 C ATOM 866 CD1 TYR A 55 8.648 -0.306 5.704 1.00 20.05 C ATOM 867 CD2 TYR A 55 8.931 -2.308 6.976 1.00 0.33 C ATOM 868 CE1 TYR A 55 8.116 0.326 6.814 1.00 43.51 C ATOM 869 CE2 TYR A 55 8.403 -1.681 8.087 1.00 54.14 C ATOM 870 CZ TYR A 55 7.998 -0.365 8.002 1.00 14.30 C ATOM 871 OH TYR A 55 7.477 0.260 9.113 1.00 51.51 O ATOM 0 H TYR A 55 11.268 -0.465 3.148 1.00 21.23 H new ATOM 0 HA TYR A 55 11.652 -2.388 5.366 1.00 31.30 H new ATOM 0 HB2 TYR A 55 9.177 -1.935 3.648 1.00 4.13 H new ATOM 0 HB3 TYR A 55 9.429 -3.388 4.595 1.00 4.13 H new ATOM 0 HD1 TYR A 55 8.741 0.239 4.776 1.00 20.05 H new ATOM 0 HD2 TYR A 55 9.245 -3.339 7.047 1.00 0.33 H new ATOM 0 HE1 TYR A 55 7.795 1.355 6.751 1.00 43.51 H new ATOM 0 HE2 TYR A 55 8.307 -2.219 9.019 1.00 54.14 H new ATOM 0 HH TYR A 55 7.463 -0.368 9.865 1.00 51.51 H new ATOM 881 N PRO A 56 12.321 -4.247 3.775 1.00 1.43 N ATOM 882 CA PRO A 56 12.865 -5.256 2.850 1.00 22.34 C ATOM 883 C PRO A 56 11.764 -6.007 2.078 1.00 25.43 C ATOM 884 O PRO A 56 11.458 -7.169 2.365 1.00 43.41 O ATOM 885 CB PRO A 56 13.651 -6.216 3.771 1.00 12.41 C ATOM 886 CG PRO A 56 13.723 -5.536 5.099 1.00 33.25 C ATOM 887 CD PRO A 56 12.513 -4.648 5.176 1.00 33.31 C ATOM 0 HA PRO A 56 13.482 -4.801 2.075 1.00 22.34 H new ATOM 0 HB2 PRO A 56 13.148 -7.180 3.852 1.00 12.41 H new ATOM 0 HB3 PRO A 56 14.648 -6.409 3.376 1.00 12.41 H new ATOM 0 HG2 PRO A 56 13.725 -6.264 5.910 1.00 33.25 H new ATOM 0 HG3 PRO A 56 14.640 -4.954 5.190 1.00 33.25 H new ATOM 0 HD2 PRO A 56 11.645 -5.178 5.569 1.00 33.31 H new ATOM 0 HD3 PRO A 56 12.682 -3.788 5.824 1.00 33.31 H new ATOM 895 N LEU A 57 11.159 -5.326 1.108 1.00 20.05 N ATOM 896 CA LEU A 57 10.075 -5.904 0.306 1.00 24.44 C ATOM 897 C LEU A 57 10.566 -6.330 -1.088 1.00 65.32 C ATOM 898 O LEU A 57 11.493 -5.740 -1.645 1.00 44.21 O ATOM 899 CB LEU A 57 8.925 -4.891 0.163 1.00 43.32 C ATOM 900 CG LEU A 57 8.334 -4.357 1.480 1.00 42.55 C ATOM 901 CD1 LEU A 57 7.240 -3.332 1.199 1.00 53.52 C ATOM 902 CD2 LEU A 57 7.795 -5.500 2.343 1.00 15.04 C ATOM 0 H LEU A 57 11.400 -4.368 0.855 1.00 20.05 H new ATOM 0 HA LEU A 57 9.718 -6.793 0.825 1.00 24.44 H new ATOM 0 HB2 LEU A 57 9.283 -4.044 -0.422 1.00 43.32 H new ATOM 0 HB3 LEU A 57 8.124 -5.358 -0.410 1.00 43.32 H new ATOM 0 HG LEU A 57 9.133 -3.865 2.035 1.00 42.55 H new ATOM 0 HD11 LEU A 57 6.834 -2.966 2.142 1.00 53.52 H new ATOM 0 HD12 LEU A 57 7.659 -2.498 0.636 1.00 53.52 H new ATOM 0 HD13 LEU A 57 6.444 -3.799 0.618 1.00 53.52 H new ATOM 0 HD21 LEU A 57 7.383 -5.095 3.267 1.00 15.04 H new ATOM 0 HD22 LEU A 57 7.013 -6.029 1.799 1.00 15.04 H new ATOM 0 HD23 LEU A 57 8.604 -6.191 2.578 1.00 15.04 H new ATOM 914 N THR A 58 9.939 -7.361 -1.645 1.00 33.22 N ATOM 915 CA THR A 58 10.235 -7.807 -3.016 1.00 53.42 C ATOM 916 C THR A 58 9.409 -7.010 -4.030 1.00 34.21 C ATOM 917 O THR A 58 8.361 -6.464 -3.683 1.00 32.01 O ATOM 918 CB THR A 58 9.924 -9.312 -3.206 1.00 25.11 C ATOM 919 OG1 THR A 58 8.510 -9.547 -3.113 1.00 54.12 O ATOM 920 CG2 THR A 58 10.646 -10.152 -2.159 1.00 15.34 C ATOM 0 H THR A 58 9.220 -7.909 -1.173 1.00 33.22 H new ATOM 0 HA THR A 58 11.299 -7.639 -3.182 1.00 53.42 H new ATOM 0 HB THR A 58 10.275 -9.603 -4.196 1.00 25.11 H new ATOM 0 HG1 THR A 58 8.328 -10.502 -3.237 1.00 54.12 H new ATOM 0 HG21 THR A 58 10.412 -11.205 -2.313 1.00 15.34 H new ATOM 0 HG22 THR A 58 11.722 -10.002 -2.251 1.00 15.34 H new ATOM 0 HG23 THR A 58 10.321 -9.850 -1.163 1.00 15.34 H new ATOM 928 N GLU A 59 9.867 -6.956 -5.282 1.00 45.45 N ATOM 929 CA GLU A 59 9.165 -6.206 -6.343 1.00 35.12 C ATOM 930 C GLU A 59 7.664 -6.553 -6.379 1.00 32.30 C ATOM 931 O GLU A 59 6.813 -5.685 -6.606 1.00 23.14 O ATOM 932 CB GLU A 59 9.815 -6.489 -7.708 1.00 2.24 C ATOM 933 CG GLU A 59 11.279 -6.058 -7.791 1.00 10.10 C ATOM 934 CD GLU A 59 11.937 -6.435 -9.112 1.00 72.23 C ATOM 935 OE1 GLU A 59 11.768 -5.690 -10.103 1.00 64.42 O ATOM 936 OE2 GLU A 59 12.624 -7.478 -9.168 1.00 42.43 O ATOM 0 H GLU A 59 10.720 -7.420 -5.593 1.00 45.45 H new ATOM 0 HA GLU A 59 9.253 -5.143 -6.120 1.00 35.12 H new ATOM 0 HB2 GLU A 59 9.747 -7.556 -7.919 1.00 2.24 H new ATOM 0 HB3 GLU A 59 9.249 -5.974 -8.484 1.00 2.24 H new ATOM 0 HG2 GLU A 59 11.342 -4.978 -7.655 1.00 10.10 H new ATOM 0 HG3 GLU A 59 11.834 -6.515 -6.972 1.00 10.10 H new ATOM 943 N SER A 60 7.351 -7.824 -6.127 1.00 70.40 N ATOM 944 CA SER A 60 5.960 -8.289 -6.033 1.00 60.12 C ATOM 945 C SER A 60 5.225 -7.620 -4.860 1.00 72.52 C ATOM 946 O SER A 60 4.070 -7.208 -4.986 1.00 72.23 O ATOM 947 CB SER A 60 5.916 -9.814 -5.860 1.00 62.52 C ATOM 948 OG SER A 60 6.641 -10.474 -6.885 1.00 54.23 O ATOM 0 H SER A 60 8.045 -8.557 -5.983 1.00 70.40 H new ATOM 0 HA SER A 60 5.458 -8.013 -6.960 1.00 60.12 H new ATOM 0 HB2 SER A 60 6.330 -10.083 -4.888 1.00 62.52 H new ATOM 0 HB3 SER A 60 4.880 -10.153 -5.870 1.00 62.52 H new ATOM 0 HG SER A 60 6.595 -11.443 -6.746 1.00 54.23 H new ATOM 954 N GLN A 61 5.902 -7.511 -3.714 1.00 4.10 N ATOM 955 CA GLN A 61 5.321 -6.860 -2.533 1.00 22.55 C ATOM 956 C GLN A 61 5.093 -5.358 -2.780 1.00 3.51 C ATOM 957 O GLN A 61 4.027 -4.828 -2.462 1.00 60.44 O ATOM 958 CB GLN A 61 6.208 -7.066 -1.296 1.00 61.14 C ATOM 959 CG GLN A 61 6.367 -8.528 -0.887 1.00 72.54 C ATOM 960 CD GLN A 61 7.177 -8.689 0.391 1.00 54.20 C ATOM 961 OE1 GLN A 61 8.397 -8.797 0.358 1.00 64.00 O ATOM 962 NE2 GLN A 61 6.505 -8.726 1.526 1.00 34.51 N ATOM 0 H GLN A 61 6.849 -7.863 -3.577 1.00 4.10 H new ATOM 0 HA GLN A 61 4.354 -7.327 -2.346 1.00 22.55 H new ATOM 0 HB2 GLN A 61 7.194 -6.645 -1.493 1.00 61.14 H new ATOM 0 HB3 GLN A 61 5.785 -6.509 -0.460 1.00 61.14 H new ATOM 0 HG2 GLN A 61 5.382 -8.972 -0.748 1.00 72.54 H new ATOM 0 HG3 GLN A 61 6.853 -9.077 -1.693 1.00 72.54 H new ATOM 0 HE21 GLN A 61 5.489 -8.633 1.521 1.00 34.51 H new ATOM 0 HE22 GLN A 61 7.001 -8.847 2.409 1.00 34.51 H new ATOM 971 N LEU A 62 6.087 -4.672 -3.359 1.00 73.25 N ATOM 972 CA LEU A 62 5.924 -3.251 -3.719 1.00 0.44 C ATOM 973 C LEU A 62 4.741 -3.062 -4.685 1.00 45.42 C ATOM 974 O LEU A 62 4.032 -2.056 -4.628 1.00 42.42 O ATOM 975 CB LEU A 62 7.201 -2.662 -4.351 1.00 34.45 C ATOM 976 CG LEU A 62 8.387 -2.413 -3.390 1.00 51.11 C ATOM 977 CD1 LEU A 62 9.123 -3.703 -3.067 1.00 22.43 C ATOM 978 CD2 LEU A 62 9.348 -1.377 -3.976 1.00 12.31 C ATOM 0 H LEU A 62 7.000 -5.067 -3.587 1.00 73.25 H new ATOM 0 HA LEU A 62 5.725 -2.715 -2.791 1.00 0.44 H new ATOM 0 HB2 LEU A 62 7.535 -3.336 -5.140 1.00 34.45 H new ATOM 0 HB3 LEU A 62 6.942 -1.717 -4.828 1.00 34.45 H new ATOM 0 HG LEU A 62 7.980 -2.022 -2.458 1.00 51.11 H new ATOM 0 HD11 LEU A 62 9.950 -3.490 -2.390 1.00 22.43 H new ATOM 0 HD12 LEU A 62 8.437 -4.405 -2.593 1.00 22.43 H new ATOM 0 HD13 LEU A 62 9.511 -4.141 -3.987 1.00 22.43 H new ATOM 0 HD21 LEU A 62 10.175 -1.216 -3.285 1.00 12.31 H new ATOM 0 HD22 LEU A 62 9.736 -1.738 -4.928 1.00 12.31 H new ATOM 0 HD23 LEU A 62 8.818 -0.437 -4.133 1.00 12.31 H new ATOM 990 N ALA A 63 4.541 -4.029 -5.580 1.00 53.42 N ATOM 991 CA ALA A 63 3.391 -4.017 -6.489 1.00 30.40 C ATOM 992 C ALA A 63 2.068 -4.064 -5.708 1.00 31.30 C ATOM 993 O ALA A 63 1.152 -3.286 -5.974 1.00 1.15 O ATOM 994 CB ALA A 63 3.479 -5.182 -7.471 1.00 34.51 C ATOM 0 H ALA A 63 5.160 -4.832 -5.696 1.00 53.42 H new ATOM 0 HA ALA A 63 3.413 -3.084 -7.053 1.00 30.40 H new ATOM 0 HB1 ALA A 63 2.618 -5.160 -8.140 1.00 34.51 H new ATOM 0 HB2 ALA A 63 4.395 -5.097 -8.056 1.00 34.51 H new ATOM 0 HB3 ALA A 63 3.487 -6.122 -6.920 1.00 34.51 H new ATOM 1000 N LEU A 64 1.988 -4.966 -4.727 1.00 51.24 N ATOM 1001 CA LEU A 64 0.795 -5.085 -3.880 1.00 74.22 C ATOM 1002 C LEU A 64 0.523 -3.794 -3.090 1.00 11.34 C ATOM 1003 O LEU A 64 -0.606 -3.308 -3.053 1.00 21.34 O ATOM 1004 CB LEU A 64 0.943 -6.255 -2.901 1.00 4.14 C ATOM 1005 CG LEU A 64 -0.237 -6.449 -1.934 1.00 3.53 C ATOM 1006 CD1 LEU A 64 -1.514 -6.811 -2.691 1.00 14.40 C ATOM 1007 CD2 LEU A 64 0.091 -7.507 -0.889 1.00 73.25 C ATOM 0 H LEU A 64 2.733 -5.624 -4.498 1.00 51.24 H new ATOM 0 HA LEU A 64 -0.050 -5.266 -4.544 1.00 74.22 H new ATOM 0 HB2 LEU A 64 1.078 -7.173 -3.473 1.00 4.14 H new ATOM 0 HB3 LEU A 64 1.851 -6.107 -2.317 1.00 4.14 H new ATOM 0 HG LEU A 64 -0.409 -5.503 -1.420 1.00 3.53 H new ATOM 0 HD11 LEU A 64 -2.332 -6.942 -1.983 1.00 14.40 H new ATOM 0 HD12 LEU A 64 -1.763 -6.011 -3.388 1.00 14.40 H new ATOM 0 HD13 LEU A 64 -1.359 -7.738 -3.243 1.00 14.40 H new ATOM 0 HD21 LEU A 64 -0.757 -7.628 -0.215 1.00 73.25 H new ATOM 0 HD22 LEU A 64 0.299 -8.455 -1.384 1.00 73.25 H new ATOM 0 HD23 LEU A 64 0.966 -7.196 -0.318 1.00 73.25 H new ATOM 1019 N VAL A 65 1.562 -3.250 -2.451 1.00 71.13 N ATOM 1020 CA VAL A 65 1.436 -1.998 -1.687 1.00 12.01 C ATOM 1021 C VAL A 65 0.895 -0.859 -2.573 1.00 63.33 C ATOM 1022 O VAL A 65 0.028 -0.088 -2.158 1.00 53.44 O ATOM 1023 CB VAL A 65 2.796 -1.578 -1.067 1.00 21.44 C ATOM 1024 CG1 VAL A 65 2.659 -0.288 -0.258 1.00 13.34 C ATOM 1025 CG2 VAL A 65 3.366 -2.702 -0.202 1.00 41.52 C ATOM 0 H VAL A 65 2.499 -3.653 -2.445 1.00 71.13 H new ATOM 0 HA VAL A 65 0.727 -2.183 -0.880 1.00 12.01 H new ATOM 0 HB VAL A 65 3.492 -1.388 -1.884 1.00 21.44 H new ATOM 0 HG11 VAL A 65 3.627 -0.019 0.164 1.00 13.34 H new ATOM 0 HG12 VAL A 65 2.311 0.514 -0.909 1.00 13.34 H new ATOM 0 HG13 VAL A 65 1.941 -0.439 0.548 1.00 13.34 H new ATOM 0 HG21 VAL A 65 4.319 -2.387 0.223 1.00 41.52 H new ATOM 0 HG22 VAL A 65 2.668 -2.931 0.603 1.00 41.52 H new ATOM 0 HG23 VAL A 65 3.518 -3.591 -0.814 1.00 41.52 H new ATOM 1035 N ARG A 66 1.405 -0.775 -3.802 1.00 44.13 N ATOM 1036 CA ARG A 66 0.917 0.203 -4.783 1.00 31.22 C ATOM 1037 C ARG A 66 -0.527 -0.095 -5.216 1.00 13.10 C ATOM 1038 O ARG A 66 -1.316 0.823 -5.436 1.00 75.35 O ATOM 1039 CB ARG A 66 1.849 0.241 -6.005 1.00 42.43 C ATOM 1040 CG ARG A 66 3.192 0.917 -5.733 1.00 45.24 C ATOM 1041 CD ARG A 66 4.160 0.772 -6.904 1.00 15.31 C ATOM 1042 NE ARG A 66 4.619 -0.607 -7.065 1.00 62.11 N ATOM 1043 CZ ARG A 66 5.466 -0.998 -7.978 1.00 23.03 C ATOM 1044 NH1 ARG A 66 5.894 -0.172 -8.881 1.00 2.21 N ATOM 1045 NH2 ARG A 66 5.862 -2.229 -8.002 1.00 72.04 N ATOM 0 H ARG A 66 2.157 -1.372 -4.145 1.00 44.13 H new ATOM 0 HA ARG A 66 0.918 1.182 -4.304 1.00 31.22 H new ATOM 0 HB2 ARG A 66 2.028 -0.779 -6.346 1.00 42.43 H new ATOM 0 HB3 ARG A 66 1.346 0.765 -6.818 1.00 42.43 H new ATOM 0 HG2 ARG A 66 3.029 1.975 -5.528 1.00 45.24 H new ATOM 0 HG3 ARG A 66 3.640 0.484 -4.838 1.00 45.24 H new ATOM 0 HD2 ARG A 66 3.672 1.102 -7.821 1.00 15.31 H new ATOM 0 HD3 ARG A 66 5.019 1.425 -6.748 1.00 15.31 H new ATOM 0 HE ARG A 66 4.253 -1.309 -6.422 1.00 62.11 H new ATOM 0 HH11 ARG A 66 5.569 0.795 -8.883 1.00 2.21 H new ATOM 0 HH12 ARG A 66 6.556 -0.489 -9.589 1.00 2.21 H new ATOM 0 HH21 ARG A 66 5.512 -2.891 -7.309 1.00 72.04 H new ATOM 0 HH22 ARG A 66 6.524 -2.538 -8.714 1.00 72.04 H new ATOM 1059 N ASP A 67 -0.867 -1.381 -5.337 1.00 71.10 N ATOM 1060 CA ASP A 67 -2.236 -1.805 -5.668 1.00 3.41 C ATOM 1061 C ASP A 67 -3.230 -1.352 -4.585 1.00 40.54 C ATOM 1062 O ASP A 67 -4.270 -0.752 -4.879 1.00 32.11 O ATOM 1063 CB ASP A 67 -2.281 -3.332 -5.823 1.00 15.14 C ATOM 1064 CG ASP A 67 -3.682 -3.851 -6.103 1.00 14.33 C ATOM 1065 OD1 ASP A 67 -4.057 -3.951 -7.287 1.00 3.12 O ATOM 1066 OD2 ASP A 67 -4.415 -4.162 -5.139 1.00 50.33 O ATOM 0 H ASP A 67 -0.212 -2.152 -5.211 1.00 71.10 H new ATOM 0 HA ASP A 67 -2.526 -1.337 -6.609 1.00 3.41 H new ATOM 0 HB2 ASP A 67 -1.618 -3.631 -6.635 1.00 15.14 H new ATOM 0 HB3 ASP A 67 -1.900 -3.797 -4.914 1.00 15.14 H new ATOM 1071 N ILE A 68 -2.894 -1.644 -3.332 1.00 31.23 N ATOM 1072 CA ILE A 68 -3.724 -1.254 -2.188 1.00 43.43 C ATOM 1073 C ILE A 68 -3.882 0.274 -2.107 1.00 31.13 C ATOM 1074 O ILE A 68 -4.974 0.788 -1.860 1.00 74.03 O ATOM 1075 CB ILE A 68 -3.128 -1.793 -0.858 1.00 54.31 C ATOM 1076 CG1 ILE A 68 -3.010 -3.327 -0.914 1.00 62.20 C ATOM 1077 CG2 ILE A 68 -3.982 -1.360 0.336 1.00 43.42 C ATOM 1078 CD1 ILE A 68 -2.369 -3.948 0.312 1.00 4.23 C ATOM 0 H ILE A 68 -2.047 -2.153 -3.078 1.00 31.23 H new ATOM 0 HA ILE A 68 -4.709 -1.696 -2.337 1.00 43.43 H new ATOM 0 HB ILE A 68 -2.132 -1.371 -0.729 1.00 54.31 H new ATOM 0 HG12 ILE A 68 -4.005 -3.752 -1.044 1.00 62.20 H new ATOM 0 HG13 ILE A 68 -2.428 -3.603 -1.793 1.00 62.20 H new ATOM 0 HG21 ILE A 68 -3.545 -1.749 1.256 1.00 43.42 H new ATOM 0 HG22 ILE A 68 -4.017 -0.272 0.383 1.00 43.42 H new ATOM 0 HG23 ILE A 68 -4.993 -1.751 0.221 1.00 43.42 H new ATOM 0 HD11 ILE A 68 -2.325 -5.030 0.191 1.00 4.23 H new ATOM 0 HD12 ILE A 68 -1.360 -3.555 0.433 1.00 4.23 H new ATOM 0 HD13 ILE A 68 -2.961 -3.706 1.194 1.00 4.23 H new ATOM 1090 N ARG A 69 -2.782 0.990 -2.324 1.00 23.31 N ATOM 1091 CA ARG A 69 -2.801 2.456 -2.347 1.00 33.04 C ATOM 1092 C ARG A 69 -3.642 2.969 -3.530 1.00 61.14 C ATOM 1093 O ARG A 69 -4.381 3.946 -3.401 1.00 32.44 O ATOM 1094 CB ARG A 69 -1.356 2.988 -2.421 1.00 24.34 C ATOM 1095 CG ARG A 69 -1.202 4.507 -2.256 1.00 55.34 C ATOM 1096 CD ARG A 69 -1.429 5.277 -3.561 1.00 73.52 C ATOM 1097 NE ARG A 69 -1.078 6.689 -3.429 1.00 60.13 N ATOM 1098 CZ ARG A 69 0.087 7.186 -3.735 1.00 72.12 C ATOM 1099 NH1 ARG A 69 1.015 6.437 -4.246 1.00 43.41 N ATOM 1100 NH2 ARG A 69 0.311 8.445 -3.562 1.00 25.41 N ATOM 0 H ARG A 69 -1.862 0.581 -2.487 1.00 23.31 H new ATOM 0 HA ARG A 69 -3.263 2.824 -1.431 1.00 33.04 H new ATOM 0 HB2 ARG A 69 -0.766 2.494 -1.649 1.00 24.34 H new ATOM 0 HB3 ARG A 69 -0.930 2.699 -3.382 1.00 24.34 H new ATOM 0 HG2 ARG A 69 -1.909 4.859 -1.505 1.00 55.34 H new ATOM 0 HG3 ARG A 69 -0.203 4.727 -1.880 1.00 55.34 H new ATOM 0 HD2 ARG A 69 -0.834 4.828 -4.356 1.00 73.52 H new ATOM 0 HD3 ARG A 69 -2.474 5.189 -3.857 1.00 73.52 H new ATOM 0 HE ARG A 69 -1.791 7.327 -3.075 1.00 60.13 H new ATOM 0 HH11 ARG A 69 0.837 5.447 -4.413 1.00 43.41 H new ATOM 0 HH12 ARG A 69 1.923 6.839 -4.481 1.00 43.41 H new ATOM 0 HH21 ARG A 69 -0.422 9.047 -3.187 1.00 25.41 H new ATOM 0 HH22 ARG A 69 1.221 8.838 -3.800 1.00 25.41 H new ATOM 1114 N ARG A 70 -3.524 2.298 -4.676 1.00 60.11 N ATOM 1115 CA ARG A 70 -4.283 2.652 -5.881 1.00 40.02 C ATOM 1116 C ARG A 70 -5.800 2.587 -5.624 1.00 12.32 C ATOM 1117 O ARG A 70 -6.507 3.592 -5.743 1.00 21.51 O ATOM 1118 CB ARG A 70 -3.909 1.710 -7.040 1.00 74.24 C ATOM 1119 CG ARG A 70 -4.689 1.967 -8.327 1.00 43.12 C ATOM 1120 CD ARG A 70 -4.364 3.327 -8.937 1.00 40.44 C ATOM 1121 NE ARG A 70 -5.263 3.660 -10.039 1.00 21.13 N ATOM 1122 CZ ARG A 70 -4.962 4.470 -11.016 1.00 11.42 C ATOM 1123 NH1 ARG A 70 -3.766 4.956 -11.135 1.00 43.31 N ATOM 1124 NH2 ARG A 70 -5.860 4.764 -11.897 1.00 42.22 N ATOM 0 H ARG A 70 -2.904 1.498 -4.798 1.00 60.11 H new ATOM 0 HA ARG A 70 -4.026 3.676 -6.150 1.00 40.02 H new ATOM 0 HB2 ARG A 70 -2.844 1.811 -7.247 1.00 74.24 H new ATOM 0 HB3 ARG A 70 -4.076 0.680 -6.726 1.00 74.24 H new ATOM 0 HG2 ARG A 70 -4.462 1.183 -9.050 1.00 43.12 H new ATOM 0 HG3 ARG A 70 -5.758 1.910 -8.120 1.00 43.12 H new ATOM 0 HD2 ARG A 70 -4.433 4.096 -8.167 1.00 40.44 H new ATOM 0 HD3 ARG A 70 -3.335 3.327 -9.296 1.00 40.44 H new ATOM 0 HE ARG A 70 -6.188 3.230 -10.045 1.00 21.13 H new ATOM 0 HH11 ARG A 70 -3.044 4.706 -10.459 1.00 43.31 H new ATOM 0 HH12 ARG A 70 -3.547 5.588 -11.905 1.00 43.31 H new ATOM 0 HH21 ARG A 70 -6.795 4.364 -11.825 1.00 42.22 H new ATOM 0 HH22 ARG A 70 -5.634 5.397 -12.664 1.00 42.22 H new ATOM 1138 N ARG A 71 -6.294 1.401 -5.275 1.00 44.14 N ATOM 1139 CA ARG A 71 -7.724 1.212 -4.992 1.00 20.44 C ATOM 1140 C ARG A 71 -8.158 1.973 -3.726 1.00 11.22 C ATOM 1141 O ARG A 71 -9.266 2.508 -3.665 1.00 14.22 O ATOM 1142 CB ARG A 71 -8.043 -0.280 -4.844 1.00 24.10 C ATOM 1143 CG ARG A 71 -7.890 -1.078 -6.140 1.00 70.41 C ATOM 1144 CD ARG A 71 -8.132 -2.568 -5.916 1.00 12.24 C ATOM 1145 NE ARG A 71 -7.105 -3.164 -5.061 1.00 71.43 N ATOM 1146 CZ ARG A 71 -7.279 -3.505 -3.814 1.00 60.51 C ATOM 1147 NH1 ARG A 71 -8.421 -3.319 -3.220 1.00 52.30 N ATOM 1148 NH2 ARG A 71 -6.298 -4.034 -3.164 1.00 52.24 N ATOM 0 H ARG A 71 -5.731 0.556 -5.180 1.00 44.14 H new ATOM 0 HA ARG A 71 -8.284 1.618 -5.834 1.00 20.44 H new ATOM 0 HB2 ARG A 71 -7.387 -0.708 -4.086 1.00 24.10 H new ATOM 0 HB3 ARG A 71 -9.065 -0.389 -4.480 1.00 24.10 H new ATOM 0 HG2 ARG A 71 -8.593 -0.703 -6.884 1.00 70.41 H new ATOM 0 HG3 ARG A 71 -6.889 -0.928 -6.544 1.00 70.41 H new ATOM 0 HD2 ARG A 71 -9.112 -2.712 -5.461 1.00 12.24 H new ATOM 0 HD3 ARG A 71 -8.148 -3.082 -6.877 1.00 12.24 H new ATOM 0 HE ARG A 71 -6.185 -3.325 -5.470 1.00 71.43 H new ATOM 0 HH11 ARG A 71 -9.199 -2.900 -3.730 1.00 52.30 H new ATOM 0 HH12 ARG A 71 -8.539 -3.592 -2.244 1.00 52.30 H new ATOM 0 HH21 ARG A 71 -5.400 -4.181 -3.626 1.00 52.24 H new ATOM 0 HH22 ARG A 71 -6.420 -4.305 -2.188 1.00 52.24 H new ATOM 1162 N GLY A 72 -7.281 2.018 -2.723 1.00 62.30 N ATOM 1163 CA GLY A 72 -7.580 2.726 -1.482 1.00 5.12 C ATOM 1164 C GLY A 72 -7.791 4.224 -1.687 1.00 12.04 C ATOM 1165 O GLY A 72 -8.777 4.792 -1.215 1.00 61.13 O ATOM 0 H GLY A 72 -6.363 1.574 -2.747 1.00 62.30 H new ATOM 0 HA2 GLY A 72 -8.475 2.297 -1.032 1.00 5.12 H new ATOM 0 HA3 GLY A 72 -6.763 2.573 -0.777 1.00 5.12 H new ATOM 1169 N LYS A 73 -6.872 4.871 -2.399 1.00 22.34 N ATOM 1170 CA LYS A 73 -7.000 6.301 -2.696 1.00 61.15 C ATOM 1171 C LYS A 73 -8.171 6.546 -3.660 1.00 31.13 C ATOM 1172 O LYS A 73 -8.862 7.557 -3.570 1.00 1.34 O ATOM 1173 CB LYS A 73 -5.694 6.848 -3.291 1.00 12.23 C ATOM 1174 CG LYS A 73 -5.661 8.371 -3.414 1.00 44.31 C ATOM 1175 CD LYS A 73 -5.757 9.061 -2.052 1.00 41.15 C ATOM 1176 CE LYS A 73 -4.587 8.691 -1.144 1.00 71.00 C ATOM 1177 NZ LYS A 73 -4.671 9.358 0.181 1.00 50.55 N ATOM 0 H LYS A 73 -6.033 4.433 -2.781 1.00 22.34 H new ATOM 0 HA LYS A 73 -7.201 6.829 -1.764 1.00 61.15 H new ATOM 0 HB2 LYS A 73 -4.859 6.525 -2.669 1.00 12.23 H new ATOM 0 HB3 LYS A 73 -5.544 6.410 -4.278 1.00 12.23 H new ATOM 0 HG2 LYS A 73 -4.739 8.674 -3.909 1.00 44.31 H new ATOM 0 HG3 LYS A 73 -6.485 8.701 -4.046 1.00 44.31 H new ATOM 0 HD2 LYS A 73 -5.780 10.142 -2.193 1.00 41.15 H new ATOM 0 HD3 LYS A 73 -6.694 8.783 -1.569 1.00 41.15 H new ATOM 0 HE2 LYS A 73 -4.566 7.610 -1.004 1.00 71.00 H new ATOM 0 HE3 LYS A 73 -3.651 8.968 -1.629 1.00 71.00 H new ATOM 0 HZ1 LYS A 73 -4.270 8.734 0.910 1.00 50.55 H new ATOM 0 HZ2 LYS A 73 -4.136 10.249 0.155 1.00 50.55 H new ATOM 0 HZ3 LYS A 73 -5.666 9.558 0.407 1.00 50.55 H new