USER MOD reduce.3.24.130724 H: found=0, std=0, add=446, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 447 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 ASN : amide:sc= 0.501 K(o=0.2,f=-0.76) USER MOD Set 1.2: A 61 GLN : amide:sc= -0.296 K(o=0.2,f=-3.8!) USER MOD Set 2.1: A 49 ASN : amide:sc= -0.0247 K(o=-0.2,f=-2.5) USER MOD Set 2.2: A 52 MET CE :methyl -175:sc= -0.174 (180deg=-0.217) USER MOD Set 3.1: A 39 LYS NZ :NH3+ 174:sc= 0.509 (180deg=0) USER MOD Set 3.2: A 42 ASN : amide:sc= 0.471 K(o=0.98,f=-2.3) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.705 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 51 MET CE :methyl -158:sc= -0.119 (180deg=-0.619) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 139:sc= 0.684 (180deg=0.0541) USER MOD Single : A 56 GLN : amide:sc= -0.374 X(o=-0.37,f=0) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 5.891 -6.803 12.039 1.00 13.25 N ATOM 330 CA LEU A 21 6.815 -5.703 11.648 1.00 3.42 C ATOM 331 C LEU A 21 7.948 -6.157 10.678 1.00 52.45 C ATOM 332 O LEU A 21 9.124 -6.236 11.057 1.00 13.03 O ATOM 333 CB LEU A 21 7.391 -4.993 12.910 1.00 74.21 C ATOM 334 CG LEU A 21 6.349 -4.288 13.838 1.00 75.25 C ATOM 335 CD1 LEU A 21 7.035 -3.650 15.067 1.00 12.11 C ATOM 336 CD2 LEU A 21 5.516 -3.239 13.058 1.00 31.12 C ATOM 0 HA LEU A 21 6.220 -4.984 11.085 1.00 3.42 H new ATOM 0 HB2 LEU A 21 7.933 -5.731 13.501 1.00 74.21 H new ATOM 0 HB3 LEU A 21 8.118 -4.249 12.584 1.00 74.21 H new ATOM 0 HG LEU A 21 5.662 -5.053 14.199 1.00 75.25 H new ATOM 0 HD11 LEU A 21 6.284 -3.168 15.693 1.00 12.11 H new ATOM 0 HD12 LEU A 21 7.544 -4.424 15.642 1.00 12.11 H new ATOM 0 HD13 LEU A 21 7.761 -2.908 14.734 1.00 12.11 H new ATOM 0 HD21 LEU A 21 4.801 -2.767 13.732 1.00 31.12 H new ATOM 0 HD22 LEU A 21 6.181 -2.480 12.646 1.00 31.12 H new ATOM 0 HD23 LEU A 21 4.979 -3.731 12.247 1.00 31.12 H new ATOM 348 N THR A 22 7.556 -6.505 9.439 1.00 3.21 N ATOM 349 CA THR A 22 8.500 -6.907 8.360 1.00 72.45 C ATOM 350 C THR A 22 9.338 -5.707 7.851 1.00 50.21 C ATOM 351 O THR A 22 9.117 -4.560 8.256 1.00 43.54 O ATOM 352 CB THR A 22 7.744 -7.554 7.140 1.00 51.50 C ATOM 353 OG1 THR A 22 6.981 -6.553 6.438 1.00 24.14 O ATOM 354 CG2 THR A 22 6.808 -8.695 7.588 1.00 21.22 C ATOM 0 H THR A 22 6.578 -6.518 9.150 1.00 3.21 H new ATOM 0 HA THR A 22 9.169 -7.646 8.802 1.00 72.45 H new ATOM 0 HB THR A 22 8.498 -7.975 6.475 1.00 51.50 H new ATOM 0 HG1 THR A 22 6.517 -6.967 5.681 1.00 24.14 H new ATOM 0 HG21 THR A 22 6.305 -9.116 6.718 1.00 21.22 H new ATOM 0 HG22 THR A 22 7.392 -9.473 8.080 1.00 21.22 H new ATOM 0 HG23 THR A 22 6.065 -8.304 8.283 1.00 21.22 H new ATOM 362 N ARG A 23 10.295 -5.980 6.942 1.00 33.43 N ATOM 363 CA ARG A 23 11.123 -4.919 6.319 1.00 12.22 C ATOM 364 C ARG A 23 10.231 -3.987 5.459 1.00 62.22 C ATOM 365 O ARG A 23 10.463 -2.780 5.380 1.00 11.20 O ATOM 366 CB ARG A 23 12.276 -5.501 5.446 1.00 70.14 C ATOM 367 CG ARG A 23 13.225 -6.522 6.138 1.00 5.01 C ATOM 368 CD ARG A 23 12.654 -7.953 6.157 1.00 74.03 C ATOM 369 NE ARG A 23 12.322 -8.412 4.796 1.00 25.53 N ATOM 370 CZ ARG A 23 11.220 -9.029 4.422 1.00 74.13 C ATOM 371 NH1 ARG A 23 10.310 -9.395 5.275 1.00 33.43 N ATOM 372 NH2 ARG A 23 11.045 -9.299 3.174 1.00 32.21 N ATOM 0 H ARG A 23 10.516 -6.923 6.621 1.00 33.43 H new ATOM 0 HA ARG A 23 11.582 -4.351 7.128 1.00 12.22 H new ATOM 0 HB2 ARG A 23 11.834 -5.983 4.574 1.00 70.14 H new ATOM 0 HB3 ARG A 23 12.878 -4.670 5.079 1.00 70.14 H new ATOM 0 HG2 ARG A 23 14.185 -6.526 5.622 1.00 5.01 H new ATOM 0 HG3 ARG A 23 13.415 -6.198 7.161 1.00 5.01 H new ATOM 0 HD2 ARG A 23 13.380 -8.631 6.605 1.00 74.03 H new ATOM 0 HD3 ARG A 23 11.761 -7.983 6.782 1.00 74.03 H new ATOM 0 HE ARG A 23 13.016 -8.234 4.070 1.00 25.53 H new ATOM 0 HH11 ARG A 23 10.437 -9.206 6.269 1.00 33.43 H new ATOM 0 HH12 ARG A 23 9.468 -9.871 4.950 1.00 33.43 H new ATOM 0 HH21 ARG A 23 11.755 -9.035 2.491 1.00 32.21 H new ATOM 0 HH22 ARG A 23 10.197 -9.776 2.870 1.00 32.21 H new ATOM 386 N ASP A 24 9.196 -4.583 4.847 1.00 42.24 N ATOM 387 CA ASP A 24 8.184 -3.862 4.052 1.00 72.25 C ATOM 388 C ASP A 24 7.290 -2.952 4.937 1.00 53.22 C ATOM 389 O ASP A 24 6.896 -1.867 4.509 1.00 44.01 O ATOM 390 CB ASP A 24 7.331 -4.885 3.271 1.00 41.44 C ATOM 391 CG ASP A 24 8.189 -5.764 2.349 1.00 44.43 C ATOM 392 OD1 ASP A 24 8.532 -5.309 1.239 1.00 71.42 O ATOM 393 OD2 ASP A 24 8.550 -6.898 2.748 1.00 54.23 O ATOM 0 H ASP A 24 9.035 -5.589 4.889 1.00 42.24 H new ATOM 0 HA ASP A 24 8.698 -3.205 3.351 1.00 72.25 H new ATOM 0 HB2 ASP A 24 6.789 -5.518 3.974 1.00 41.44 H new ATOM 0 HB3 ASP A 24 6.585 -4.357 2.677 1.00 41.44 H new ATOM 398 N GLU A 25 6.983 -3.413 6.171 1.00 33.25 N ATOM 399 CA GLU A 25 6.253 -2.607 7.192 1.00 24.34 C ATOM 400 C GLU A 25 7.057 -1.334 7.580 1.00 10.34 C ATOM 401 O GLU A 25 6.483 -0.278 7.844 1.00 12.14 O ATOM 402 CB GLU A 25 5.973 -3.461 8.465 1.00 65.40 C ATOM 403 CG GLU A 25 5.042 -4.684 8.275 1.00 44.31 C ATOM 404 CD GLU A 25 3.564 -4.329 8.057 1.00 12.04 C ATOM 405 OE1 GLU A 25 3.015 -3.561 8.876 1.00 22.25 O ATOM 406 OE2 GLU A 25 2.931 -4.857 7.113 1.00 3.54 O ATOM 0 H GLU A 25 7.230 -4.349 6.492 1.00 33.25 H new ATOM 0 HA GLU A 25 5.304 -2.298 6.754 1.00 24.34 H new ATOM 0 HB2 GLU A 25 6.927 -3.814 8.858 1.00 65.40 H new ATOM 0 HB3 GLU A 25 5.536 -2.812 9.224 1.00 65.40 H new ATOM 0 HG2 GLU A 25 5.393 -5.264 7.421 1.00 44.31 H new ATOM 0 HG3 GLU A 25 5.123 -5.327 9.152 1.00 44.31 H new ATOM 413 N LEU A 26 8.398 -1.465 7.606 1.00 34.42 N ATOM 414 CA LEU A 26 9.329 -0.334 7.851 1.00 2.43 C ATOM 415 C LEU A 26 9.347 0.665 6.661 1.00 34.24 C ATOM 416 O LEU A 26 9.474 1.876 6.859 1.00 50.02 O ATOM 417 CB LEU A 26 10.753 -0.878 8.119 1.00 54.43 C ATOM 418 CG LEU A 26 10.891 -1.845 9.339 1.00 44.23 C ATOM 419 CD1 LEU A 26 12.320 -2.432 9.447 1.00 70.31 C ATOM 420 CD2 LEU A 26 10.473 -1.144 10.654 1.00 71.13 C ATOM 0 H LEU A 26 8.871 -2.356 7.458 1.00 34.42 H new ATOM 0 HA LEU A 26 8.976 0.210 8.727 1.00 2.43 H new ATOM 0 HB2 LEU A 26 11.097 -1.399 7.225 1.00 54.43 H new ATOM 0 HB3 LEU A 26 11.422 -0.032 8.272 1.00 54.43 H new ATOM 0 HG LEU A 26 10.211 -2.680 9.172 1.00 44.23 H new ATOM 0 HD11 LEU A 26 12.375 -3.099 10.307 1.00 70.31 H new ATOM 0 HD12 LEU A 26 12.554 -2.989 8.540 1.00 70.31 H new ATOM 0 HD13 LEU A 26 13.038 -1.621 9.570 1.00 70.31 H new ATOM 0 HD21 LEU A 26 10.579 -1.840 11.487 1.00 71.13 H new ATOM 0 HD22 LEU A 26 11.111 -0.276 10.823 1.00 71.13 H new ATOM 0 HD23 LEU A 26 9.434 -0.822 10.580 1.00 71.13 H new ATOM 432 N ARG A 27 9.234 0.123 5.434 1.00 22.14 N ATOM 433 CA ARG A 27 9.108 0.925 4.188 1.00 52.24 C ATOM 434 C ARG A 27 7.744 1.671 4.151 1.00 40.43 C ATOM 435 O ARG A 27 7.647 2.800 3.657 1.00 35.41 O ATOM 436 CB ARG A 27 9.270 -0.012 2.953 1.00 15.42 C ATOM 437 CG ARG A 27 10.634 -0.750 2.892 1.00 61.21 C ATOM 438 CD ARG A 27 10.672 -1.915 1.874 1.00 43.43 C ATOM 439 NE ARG A 27 10.559 -1.458 0.484 1.00 55.30 N ATOM 440 CZ ARG A 27 10.439 -2.235 -0.576 1.00 3.03 C ATOM 441 NH1 ARG A 27 10.290 -3.521 -0.471 1.00 65.12 N ATOM 442 NH2 ARG A 27 10.427 -1.695 -1.752 1.00 5.44 N ATOM 0 H ARG A 27 9.227 -0.884 5.271 1.00 22.14 H new ATOM 0 HA ARG A 27 9.894 1.680 4.163 1.00 52.24 H new ATOM 0 HB2 ARG A 27 8.469 -0.751 2.964 1.00 15.42 H new ATOM 0 HB3 ARG A 27 9.147 0.578 2.044 1.00 15.42 H new ATOM 0 HG2 ARG A 27 11.413 -0.032 2.637 1.00 61.21 H new ATOM 0 HG3 ARG A 27 10.870 -1.138 3.883 1.00 61.21 H new ATOM 0 HD2 ARG A 27 11.604 -2.468 1.996 1.00 43.43 H new ATOM 0 HD3 ARG A 27 9.859 -2.608 2.091 1.00 43.43 H new ATOM 0 HE ARG A 27 10.575 -0.451 0.323 1.00 55.30 H new ATOM 0 HH11 ARG A 27 10.263 -3.958 0.450 1.00 65.12 H new ATOM 0 HH12 ARG A 27 10.200 -4.094 -1.310 1.00 65.12 H new ATOM 0 HH21 ARG A 27 10.510 -0.683 -1.849 1.00 5.44 H new ATOM 0 HH22 ARG A 27 10.335 -2.281 -2.582 1.00 5.44 H new ATOM 456 N ALA A 28 6.701 1.014 4.706 1.00 1.22 N ATOM 457 CA ALA A 28 5.348 1.596 4.859 1.00 13.02 C ATOM 458 C ALA A 28 5.348 2.730 5.916 1.00 44.32 C ATOM 459 O ALA A 28 4.690 3.750 5.735 1.00 24.14 O ATOM 460 CB ALA A 28 4.332 0.492 5.220 1.00 2.25 C ATOM 0 H ALA A 28 6.774 0.061 5.062 1.00 1.22 H new ATOM 0 HA ALA A 28 5.049 2.037 3.908 1.00 13.02 H new ATOM 0 HB1 ALA A 28 3.341 0.932 5.330 1.00 2.25 H new ATOM 0 HB2 ALA A 28 4.311 -0.256 4.428 1.00 2.25 H new ATOM 0 HB3 ALA A 28 4.626 0.020 6.158 1.00 2.25 H new ATOM 466 N LYS A 29 6.112 2.526 7.010 1.00 22.14 N ATOM 467 CA LYS A 29 6.332 3.549 8.067 1.00 51.52 C ATOM 468 C LYS A 29 7.033 4.812 7.495 1.00 75.41 C ATOM 469 O LYS A 29 6.634 5.946 7.785 1.00 64.35 O ATOM 470 CB LYS A 29 7.198 2.953 9.214 1.00 2.25 C ATOM 471 CG LYS A 29 7.605 3.970 10.311 1.00 62.23 C ATOM 472 CD LYS A 29 8.698 3.427 11.261 1.00 51.34 C ATOM 473 CE LYS A 29 9.211 4.505 12.238 1.00 62.23 C ATOM 474 NZ LYS A 29 10.331 4.020 13.092 1.00 12.21 N ATOM 0 H LYS A 29 6.597 1.647 7.190 1.00 22.14 H new ATOM 0 HA LYS A 29 5.356 3.842 8.455 1.00 51.52 H new ATOM 0 HB2 LYS A 29 6.647 2.136 9.681 1.00 2.25 H new ATOM 0 HB3 LYS A 29 8.102 2.522 8.783 1.00 2.25 H new ATOM 0 HG2 LYS A 29 7.964 4.883 9.837 1.00 62.23 H new ATOM 0 HG3 LYS A 29 6.725 4.239 10.895 1.00 62.23 H new ATOM 0 HD2 LYS A 29 8.299 2.586 11.828 1.00 51.34 H new ATOM 0 HD3 LYS A 29 9.532 3.047 10.672 1.00 51.34 H new ATOM 0 HE2 LYS A 29 9.542 5.375 11.671 1.00 62.23 H new ATOM 0 HE3 LYS A 29 8.389 4.833 12.875 1.00 62.23 H new ATOM 0 HZ1 LYS A 29 10.637 4.783 13.729 1.00 12.21 H new ATOM 0 HZ2 LYS A 29 10.011 3.206 13.655 1.00 12.21 H new ATOM 0 HZ3 LYS A 29 11.128 3.732 12.489 1.00 12.21 H new ATOM 488 N ALA A 30 8.071 4.578 6.670 1.00 51.32 N ATOM 489 CA ALA A 30 8.882 5.646 6.042 1.00 41.21 C ATOM 490 C ALA A 30 8.035 6.556 5.118 1.00 22.32 C ATOM 491 O ALA A 30 8.277 7.766 5.020 1.00 24.31 O ATOM 492 CB ALA A 30 10.044 5.012 5.258 1.00 53.41 C ATOM 0 H ALA A 30 8.375 3.638 6.417 1.00 51.32 H new ATOM 0 HA ALA A 30 9.277 6.281 6.835 1.00 41.21 H new ATOM 0 HB1 ALA A 30 10.642 5.797 4.795 1.00 53.41 H new ATOM 0 HB2 ALA A 30 10.669 4.433 5.938 1.00 53.41 H new ATOM 0 HB3 ALA A 30 9.646 4.356 4.484 1.00 53.41 H new ATOM 498 N LEU A 31 7.044 5.950 4.441 1.00 31.30 N ATOM 499 CA LEU A 31 6.102 6.667 3.548 1.00 42.23 C ATOM 500 C LEU A 31 4.788 7.054 4.273 1.00 70.42 C ATOM 501 O LEU A 31 3.965 7.775 3.712 1.00 12.31 O ATOM 502 CB LEU A 31 5.818 5.784 2.311 1.00 44.52 C ATOM 503 CG LEU A 31 7.073 5.430 1.452 1.00 24.15 C ATOM 504 CD1 LEU A 31 6.720 4.462 0.314 1.00 13.52 C ATOM 505 CD2 LEU A 31 7.759 6.707 0.905 1.00 75.41 C ATOM 0 H LEU A 31 6.869 4.947 4.494 1.00 31.30 H new ATOM 0 HA LEU A 31 6.563 7.603 3.234 1.00 42.23 H new ATOM 0 HB2 LEU A 31 5.351 4.857 2.644 1.00 44.52 H new ATOM 0 HB3 LEU A 31 5.094 6.295 1.676 1.00 44.52 H new ATOM 0 HG LEU A 31 7.783 4.925 2.106 1.00 24.15 H new ATOM 0 HD11 LEU A 31 7.617 4.237 -0.264 1.00 13.52 H new ATOM 0 HD12 LEU A 31 6.317 3.540 0.733 1.00 13.52 H new ATOM 0 HD13 LEU A 31 5.975 4.921 -0.336 1.00 13.52 H new ATOM 0 HD21 LEU A 31 8.629 6.427 0.311 1.00 75.41 H new ATOM 0 HD22 LEU A 31 7.056 7.259 0.281 1.00 75.41 H new ATOM 0 HD23 LEU A 31 8.075 7.335 1.738 1.00 75.41 H new ATOM 517 N HIS A 32 4.624 6.573 5.525 1.00 54.33 N ATOM 518 CA HIS A 32 3.469 6.884 6.408 1.00 51.41 C ATOM 519 C HIS A 32 2.126 6.400 5.803 1.00 1.51 C ATOM 520 O HIS A 32 1.204 7.187 5.551 1.00 21.42 O ATOM 521 CB HIS A 32 3.455 8.392 6.788 1.00 34.40 C ATOM 522 CG HIS A 32 4.743 8.840 7.438 1.00 43.54 C ATOM 523 ND1 HIS A 32 5.850 9.228 6.713 1.00 75.44 N ATOM 524 CD2 HIS A 32 5.120 8.893 8.737 1.00 63.25 C ATOM 525 CE1 HIS A 32 6.843 9.490 7.530 1.00 0.41 C ATOM 526 NE2 HIS A 32 6.431 9.295 8.766 1.00 31.40 N ATOM 0 H HIS A 32 5.300 5.946 5.962 1.00 54.33 H new ATOM 0 HA HIS A 32 3.592 6.323 7.334 1.00 51.41 H new ATOM 0 HB2 HIS A 32 3.279 8.987 5.892 1.00 34.40 H new ATOM 0 HB3 HIS A 32 2.624 8.584 7.467 1.00 34.40 H new ATOM 0 HD2 HIS A 32 4.503 8.662 9.592 1.00 63.25 H new ATOM 0 HE1 HIS A 32 7.832 9.811 7.238 1.00 0.41 H new ATOM 0 HE2 HIS A 32 6.995 9.422 9.607 1.00 31.40 H new ATOM 535 N ILE A 33 2.051 5.084 5.546 1.00 13.43 N ATOM 536 CA ILE A 33 0.846 4.426 5.002 1.00 14.24 C ATOM 537 C ILE A 33 -0.094 4.006 6.173 1.00 22.43 C ATOM 538 O ILE A 33 0.335 3.236 7.040 1.00 31.20 O ATOM 539 CB ILE A 33 1.225 3.155 4.136 1.00 52.40 C ATOM 540 CG1 ILE A 33 2.388 3.473 3.135 1.00 54.31 C ATOM 541 CG2 ILE A 33 -0.012 2.601 3.384 1.00 54.15 C ATOM 542 CD1 ILE A 33 2.106 4.599 2.156 1.00 32.03 C ATOM 0 H ILE A 33 2.826 4.442 5.709 1.00 13.43 H new ATOM 0 HA ILE A 33 0.333 5.136 4.353 1.00 14.24 H new ATOM 0 HB ILE A 33 1.576 2.384 4.822 1.00 52.40 H new ATOM 0 HG12 ILE A 33 3.280 3.725 3.708 1.00 54.31 H new ATOM 0 HG13 ILE A 33 2.617 2.570 2.570 1.00 54.31 H new ATOM 0 HG21 ILE A 33 0.279 1.729 2.798 1.00 54.15 H new ATOM 0 HG22 ILE A 33 -0.778 2.315 4.105 1.00 54.15 H new ATOM 0 HG23 ILE A 33 -0.408 3.369 2.720 1.00 54.15 H new ATOM 0 HD11 ILE A 33 2.970 4.742 1.507 1.00 32.03 H new ATOM 0 HD12 ILE A 33 1.236 4.345 1.551 1.00 32.03 H new ATOM 0 HD13 ILE A 33 1.910 5.519 2.706 1.00 32.03 H new ATOM 554 N PRO A 34 -1.376 4.522 6.226 1.00 73.43 N ATOM 555 CA PRO A 34 -2.344 4.205 7.324 1.00 45.54 C ATOM 556 C PRO A 34 -2.582 2.683 7.541 1.00 70.53 C ATOM 557 O PRO A 34 -2.732 2.215 8.677 1.00 22.13 O ATOM 558 CB PRO A 34 -3.649 4.910 6.858 1.00 61.45 C ATOM 559 CG PRO A 34 -3.177 6.021 5.970 1.00 61.40 C ATOM 560 CD PRO A 34 -1.970 5.471 5.245 1.00 71.55 C ATOM 0 HA PRO A 34 -1.970 4.544 8.290 1.00 45.54 H new ATOM 0 HB2 PRO A 34 -4.302 4.222 6.321 1.00 61.45 H new ATOM 0 HB3 PRO A 34 -4.218 5.293 7.705 1.00 61.45 H new ATOM 0 HG2 PRO A 34 -3.955 6.320 5.267 1.00 61.40 H new ATOM 0 HG3 PRO A 34 -2.917 6.905 6.552 1.00 61.40 H new ATOM 0 HD2 PRO A 34 -2.252 4.968 4.320 1.00 71.55 H new ATOM 0 HD3 PRO A 34 -1.269 6.261 4.976 1.00 71.55 H new ATOM 568 N PHE A 35 -2.611 1.931 6.430 1.00 71.22 N ATOM 569 CA PHE A 35 -2.800 0.460 6.432 1.00 11.55 C ATOM 570 C PHE A 35 -1.446 -0.278 6.226 1.00 42.51 C ATOM 571 O PHE A 35 -0.620 0.163 5.421 1.00 60.20 O ATOM 572 CB PHE A 35 -3.854 0.030 5.359 1.00 30.05 C ATOM 573 CG PHE A 35 -3.785 0.784 4.028 1.00 33.34 C ATOM 574 CD1 PHE A 35 -4.436 2.009 3.874 1.00 51.14 C ATOM 575 CD2 PHE A 35 -3.080 0.275 2.943 1.00 10.23 C ATOM 576 CE1 PHE A 35 -4.377 2.693 2.682 1.00 25.24 C ATOM 577 CE2 PHE A 35 -3.022 0.962 1.746 1.00 14.54 C ATOM 578 CZ PHE A 35 -3.671 2.170 1.615 1.00 63.33 C ATOM 0 H PHE A 35 -2.504 2.323 5.495 1.00 71.22 H new ATOM 0 HA PHE A 35 -3.186 0.171 7.409 1.00 11.55 H new ATOM 0 HB2 PHE A 35 -3.731 -1.035 5.160 1.00 30.05 H new ATOM 0 HB3 PHE A 35 -4.850 0.162 5.780 1.00 30.05 H new ATOM 0 HD1 PHE A 35 -4.993 2.425 4.701 1.00 51.14 H new ATOM 0 HD2 PHE A 35 -2.570 -0.672 3.038 1.00 10.23 H new ATOM 0 HE1 PHE A 35 -4.884 3.641 2.580 1.00 25.24 H new ATOM 0 HE2 PHE A 35 -2.469 0.553 0.914 1.00 14.54 H new ATOM 0 HZ PHE A 35 -3.628 2.708 0.679 1.00 63.33 H new ATOM 588 N PRO A 36 -1.199 -1.414 6.966 1.00 55.54 N ATOM 589 CA PRO A 36 0.041 -2.231 6.815 1.00 25.24 C ATOM 590 C PRO A 36 0.161 -2.904 5.423 1.00 20.05 C ATOM 591 O PRO A 36 -0.831 -3.024 4.696 1.00 2.53 O ATOM 592 CB PRO A 36 -0.108 -3.303 7.933 1.00 22.14 C ATOM 593 CG PRO A 36 -1.576 -3.394 8.174 1.00 51.20 C ATOM 594 CD PRO A 36 -2.090 -1.984 8.015 1.00 5.25 C ATOM 0 HA PRO A 36 0.941 -1.621 6.898 1.00 25.24 H new ATOM 0 HB2 PRO A 36 0.302 -4.263 7.619 1.00 22.14 H new ATOM 0 HB3 PRO A 36 0.425 -3.009 8.837 1.00 22.14 H new ATOM 0 HG2 PRO A 36 -2.051 -4.069 7.462 1.00 51.20 H new ATOM 0 HG3 PRO A 36 -1.788 -3.781 9.171 1.00 51.20 H new ATOM 0 HD2 PRO A 36 -3.136 -1.969 7.707 1.00 5.25 H new ATOM 0 HD3 PRO A 36 -2.024 -1.424 8.948 1.00 5.25 H new ATOM 602 N VAL A 37 1.378 -3.376 5.091 1.00 31.21 N ATOM 603 CA VAL A 37 1.665 -4.098 3.822 1.00 31.23 C ATOM 604 C VAL A 37 0.829 -5.396 3.708 1.00 43.11 C ATOM 605 O VAL A 37 0.421 -5.793 2.608 1.00 30.54 O ATOM 606 CB VAL A 37 3.205 -4.393 3.699 1.00 25.02 C ATOM 607 CG1 VAL A 37 3.552 -5.347 2.525 1.00 41.44 C ATOM 608 CG2 VAL A 37 3.977 -3.063 3.573 1.00 71.55 C ATOM 0 H VAL A 37 2.196 -3.271 5.692 1.00 31.21 H new ATOM 0 HA VAL A 37 1.373 -3.457 2.991 1.00 31.23 H new ATOM 0 HB VAL A 37 3.510 -4.913 4.607 1.00 25.02 H new ATOM 0 HG11 VAL A 37 4.629 -5.510 2.495 1.00 41.44 H new ATOM 0 HG12 VAL A 37 3.045 -6.301 2.669 1.00 41.44 H new ATOM 0 HG13 VAL A 37 3.226 -4.901 1.585 1.00 41.44 H new ATOM 0 HG21 VAL A 37 5.044 -3.268 3.488 1.00 71.55 H new ATOM 0 HG22 VAL A 37 3.638 -2.528 2.685 1.00 71.55 H new ATOM 0 HG23 VAL A 37 3.795 -2.451 4.457 1.00 71.55 H new ATOM 618 N GLU A 38 0.558 -6.016 4.868 1.00 70.24 N ATOM 619 CA GLU A 38 -0.409 -7.128 4.999 1.00 25.11 C ATOM 620 C GLU A 38 -1.807 -6.749 4.400 1.00 61.34 C ATOM 621 O GLU A 38 -2.416 -7.552 3.698 1.00 54.53 O ATOM 622 CB GLU A 38 -0.522 -7.520 6.501 1.00 32.11 C ATOM 623 CG GLU A 38 -1.524 -8.650 6.837 1.00 33.12 C ATOM 624 CD GLU A 38 -1.245 -9.986 6.117 1.00 31.11 C ATOM 625 OE1 GLU A 38 -0.304 -10.700 6.512 1.00 40.55 O ATOM 626 OE2 GLU A 38 -1.979 -10.330 5.158 1.00 24.01 O ATOM 0 H GLU A 38 1.004 -5.761 5.749 1.00 70.24 H new ATOM 0 HA GLU A 38 -0.050 -7.984 4.428 1.00 25.11 H new ATOM 0 HB2 GLU A 38 0.465 -7.821 6.852 1.00 32.11 H new ATOM 0 HB3 GLU A 38 -0.804 -6.632 7.067 1.00 32.11 H new ATOM 0 HG2 GLU A 38 -1.511 -8.822 7.913 1.00 33.12 H new ATOM 0 HG3 GLU A 38 -2.529 -8.316 6.580 1.00 33.12 H new ATOM 633 N LYS A 39 -2.275 -5.503 4.656 1.00 54.21 N ATOM 634 CA LYS A 39 -3.553 -4.981 4.095 1.00 5.43 C ATOM 635 C LYS A 39 -3.464 -4.631 2.590 1.00 71.02 C ATOM 636 O LYS A 39 -4.465 -4.788 1.889 1.00 24.44 O ATOM 637 CB LYS A 39 -4.078 -3.754 4.904 1.00 43.40 C ATOM 638 CG LYS A 39 -4.798 -4.072 6.247 1.00 13.35 C ATOM 639 CD LYS A 39 -6.301 -4.478 6.097 1.00 23.31 C ATOM 640 CE LYS A 39 -6.531 -5.897 5.547 1.00 3.33 C ATOM 641 NZ LYS A 39 -7.978 -6.221 5.412 1.00 31.21 N ATOM 0 H LYS A 39 -1.785 -4.834 5.251 1.00 54.21 H new ATOM 0 HA LYS A 39 -4.268 -5.798 4.191 1.00 5.43 H new ATOM 0 HB2 LYS A 39 -3.234 -3.097 5.115 1.00 43.40 H new ATOM 0 HB3 LYS A 39 -4.767 -3.195 4.270 1.00 43.40 H new ATOM 0 HG2 LYS A 39 -4.265 -4.880 6.748 1.00 13.35 H new ATOM 0 HG3 LYS A 39 -4.734 -3.198 6.895 1.00 13.35 H new ATOM 0 HD2 LYS A 39 -6.784 -4.398 7.071 1.00 23.31 H new ATOM 0 HD3 LYS A 39 -6.793 -3.763 5.437 1.00 23.31 H new ATOM 0 HE2 LYS A 39 -6.047 -5.991 4.575 1.00 3.33 H new ATOM 0 HE3 LYS A 39 -6.058 -6.622 6.209 1.00 3.33 H new ATOM 0 HZ1 LYS A 39 -8.085 -7.144 4.945 1.00 31.21 H new ATOM 0 HZ2 LYS A 39 -8.415 -6.258 6.355 1.00 31.21 H new ATOM 0 HZ3 LYS A 39 -8.446 -5.488 4.842 1.00 31.21 H new ATOM 655 N ILE A 40 -2.293 -4.153 2.091 1.00 22.42 N ATOM 656 CA ILE A 40 -2.102 -3.938 0.625 1.00 10.13 C ATOM 657 C ILE A 40 -2.316 -5.272 -0.145 1.00 73.25 C ATOM 658 O ILE A 40 -2.958 -5.304 -1.200 1.00 2.44 O ATOM 659 CB ILE A 40 -0.687 -3.295 0.239 1.00 61.04 C ATOM 660 CG1 ILE A 40 -0.591 -1.771 0.650 1.00 2.10 C ATOM 661 CG2 ILE A 40 -0.369 -3.450 -1.282 1.00 0.41 C ATOM 662 CD1 ILE A 40 -0.118 -1.489 2.057 1.00 70.23 C ATOM 0 H ILE A 40 -1.483 -3.913 2.663 1.00 22.42 H new ATOM 0 HA ILE A 40 -2.854 -3.208 0.327 1.00 10.13 H new ATOM 0 HB ILE A 40 0.058 -3.852 0.808 1.00 61.04 H new ATOM 0 HG12 ILE A 40 0.083 -1.270 -0.045 1.00 2.10 H new ATOM 0 HG13 ILE A 40 -1.574 -1.319 0.522 1.00 2.10 H new ATOM 0 HG21 ILE A 40 0.600 -3.000 -1.499 1.00 0.41 H new ATOM 0 HG22 ILE A 40 -0.344 -4.508 -1.542 1.00 0.41 H new ATOM 0 HG23 ILE A 40 -1.141 -2.950 -1.868 1.00 0.41 H new ATOM 0 HD11 ILE A 40 -0.093 -0.412 2.223 1.00 70.23 H new ATOM 0 HD12 ILE A 40 -0.801 -1.950 2.770 1.00 70.23 H new ATOM 0 HD13 ILE A 40 0.882 -1.901 2.194 1.00 70.23 H new ATOM 674 N ILE A 41 -1.802 -6.368 0.441 1.00 70.23 N ATOM 675 CA ILE A 41 -1.902 -7.729 -0.133 1.00 40.21 C ATOM 676 C ILE A 41 -3.315 -8.362 0.083 1.00 43.32 C ATOM 677 O ILE A 41 -3.842 -9.043 -0.805 1.00 74.30 O ATOM 678 CB ILE A 41 -0.781 -8.654 0.488 1.00 15.21 C ATOM 679 CG1 ILE A 41 0.641 -8.054 0.203 1.00 42.53 C ATOM 680 CG2 ILE A 41 -0.878 -10.113 -0.031 1.00 71.10 C ATOM 681 CD1 ILE A 41 1.797 -8.751 0.914 1.00 73.22 C ATOM 0 H ILE A 41 -1.303 -6.338 1.330 1.00 70.23 H new ATOM 0 HA ILE A 41 -1.753 -7.646 -1.210 1.00 40.21 H new ATOM 0 HB ILE A 41 -0.940 -8.686 1.566 1.00 15.21 H new ATOM 0 HG12 ILE A 41 0.823 -8.088 -0.871 1.00 42.53 H new ATOM 0 HG13 ILE A 41 0.639 -7.003 0.493 1.00 42.53 H new ATOM 0 HG21 ILE A 41 -0.089 -10.713 0.422 1.00 71.10 H new ATOM 0 HG22 ILE A 41 -1.849 -10.530 0.235 1.00 71.10 H new ATOM 0 HG23 ILE A 41 -0.764 -10.122 -1.115 1.00 71.10 H new ATOM 0 HD11 ILE A 41 2.734 -8.261 0.651 1.00 73.22 H new ATOM 0 HD12 ILE A 41 1.648 -8.694 1.992 1.00 73.22 H new ATOM 0 HD13 ILE A 41 1.836 -9.796 0.607 1.00 73.22 H new ATOM 693 N ASN A 42 -3.926 -8.121 1.255 1.00 3.22 N ATOM 694 CA ASN A 42 -5.203 -8.776 1.660 1.00 13.30 C ATOM 695 C ASN A 42 -6.450 -8.149 0.975 1.00 33.12 C ATOM 696 O ASN A 42 -7.369 -8.875 0.573 1.00 15.05 O ATOM 697 CB ASN A 42 -5.333 -8.740 3.199 1.00 3.42 C ATOM 698 CG ASN A 42 -6.573 -9.459 3.747 1.00 63.32 C ATOM 699 OD1 ASN A 42 -7.608 -8.845 3.989 1.00 11.21 O ATOM 700 ND2 ASN A 42 -6.480 -10.763 3.940 1.00 10.14 N ATOM 0 H ASN A 42 -3.560 -7.472 1.952 1.00 3.22 H new ATOM 0 HA ASN A 42 -5.167 -9.811 1.320 1.00 13.30 H new ATOM 0 HB2 ASN A 42 -4.443 -9.191 3.637 1.00 3.42 H new ATOM 0 HB3 ASN A 42 -5.357 -7.700 3.525 1.00 3.42 H new ATOM 0 HD21 ASN A 42 -7.280 -11.284 4.298 1.00 10.14 H new ATOM 0 HD22 ASN A 42 -5.608 -11.249 3.731 1.00 10.14 H new ATOM 707 N LEU A 43 -6.475 -6.811 0.855 1.00 52.30 N ATOM 708 CA LEU A 43 -7.618 -6.072 0.252 1.00 71.43 C ATOM 709 C LEU A 43 -7.805 -6.394 -1.265 1.00 21.04 C ATOM 710 O LEU A 43 -6.818 -6.432 -2.003 1.00 55.22 O ATOM 711 CB LEU A 43 -7.434 -4.542 0.472 1.00 21.14 C ATOM 712 CG LEU A 43 -7.775 -4.023 1.906 1.00 11.20 C ATOM 713 CD1 LEU A 43 -7.311 -2.559 2.116 1.00 73.44 C ATOM 714 CD2 LEU A 43 -9.291 -4.170 2.186 1.00 23.15 C ATOM 0 H LEU A 43 -5.715 -6.207 1.168 1.00 52.30 H new ATOM 0 HA LEU A 43 -8.526 -6.404 0.755 1.00 71.43 H new ATOM 0 HB2 LEU A 43 -6.400 -4.282 0.247 1.00 21.14 H new ATOM 0 HB3 LEU A 43 -8.060 -4.011 -0.246 1.00 21.14 H new ATOM 0 HG LEU A 43 -7.227 -4.638 2.620 1.00 11.20 H new ATOM 0 HD11 LEU A 43 -7.567 -2.237 3.125 1.00 73.44 H new ATOM 0 HD12 LEU A 43 -6.232 -2.496 1.978 1.00 73.44 H new ATOM 0 HD13 LEU A 43 -7.807 -1.913 1.392 1.00 73.44 H new ATOM 0 HD21 LEU A 43 -9.513 -3.804 3.189 1.00 23.15 H new ATOM 0 HD22 LEU A 43 -9.854 -3.589 1.455 1.00 23.15 H new ATOM 0 HD23 LEU A 43 -9.575 -5.220 2.112 1.00 23.15 H new ATOM 726 N PRO A 44 -9.084 -6.634 -1.741 1.00 75.00 N ATOM 727 CA PRO A 44 -9.385 -6.913 -3.176 1.00 24.22 C ATOM 728 C PRO A 44 -9.215 -5.665 -4.087 1.00 44.23 C ATOM 729 O PRO A 44 -9.442 -4.537 -3.639 1.00 14.32 O ATOM 730 CB PRO A 44 -10.849 -7.409 -3.138 1.00 55.13 C ATOM 731 CG PRO A 44 -11.442 -6.736 -1.942 1.00 31.41 C ATOM 732 CD PRO A 44 -10.329 -6.662 -0.919 1.00 14.12 C ATOM 0 HA PRO A 44 -8.696 -7.638 -3.609 1.00 24.22 H new ATOM 0 HB2 PRO A 44 -11.383 -7.140 -4.050 1.00 55.13 H new ATOM 0 HB3 PRO A 44 -10.898 -8.494 -3.048 1.00 55.13 H new ATOM 0 HG2 PRO A 44 -11.808 -5.741 -2.194 1.00 31.41 H new ATOM 0 HG3 PRO A 44 -12.291 -7.300 -1.556 1.00 31.41 H new ATOM 0 HD2 PRO A 44 -10.417 -5.771 -0.297 1.00 14.12 H new ATOM 0 HD3 PRO A 44 -10.345 -7.521 -0.249 1.00 14.12 H new ATOM 740 N VAL A 45 -8.861 -5.908 -5.375 1.00 63.42 N ATOM 741 CA VAL A 45 -8.365 -4.865 -6.322 1.00 10.22 C ATOM 742 C VAL A 45 -9.255 -3.596 -6.389 1.00 53.14 C ATOM 743 O VAL A 45 -8.754 -2.493 -6.177 1.00 14.05 O ATOM 744 CB VAL A 45 -8.162 -5.446 -7.786 1.00 33.13 C ATOM 745 CG1 VAL A 45 -7.735 -4.355 -8.807 1.00 20.51 C ATOM 746 CG2 VAL A 45 -7.141 -6.608 -7.790 1.00 14.23 C ATOM 0 H VAL A 45 -8.910 -6.837 -5.792 1.00 63.42 H new ATOM 0 HA VAL A 45 -7.402 -4.560 -5.912 1.00 10.22 H new ATOM 0 HB VAL A 45 -9.133 -5.827 -8.102 1.00 33.13 H new ATOM 0 HG11 VAL A 45 -7.610 -4.807 -9.791 1.00 20.51 H new ATOM 0 HG12 VAL A 45 -8.503 -3.583 -8.857 1.00 20.51 H new ATOM 0 HG13 VAL A 45 -6.792 -3.909 -8.490 1.00 20.51 H new ATOM 0 HG21 VAL A 45 -7.023 -6.985 -8.806 1.00 14.23 H new ATOM 0 HG22 VAL A 45 -6.180 -6.249 -7.422 1.00 14.23 H new ATOM 0 HG23 VAL A 45 -7.500 -7.410 -7.145 1.00 14.23 H new ATOM 756 N VAL A 46 -10.567 -3.767 -6.649 1.00 13.41 N ATOM 757 CA VAL A 46 -11.495 -2.623 -6.861 1.00 40.05 C ATOM 758 C VAL A 46 -11.597 -1.723 -5.603 1.00 4.41 C ATOM 759 O VAL A 46 -11.327 -0.524 -5.674 1.00 14.24 O ATOM 760 CB VAL A 46 -12.933 -3.107 -7.298 1.00 43.33 C ATOM 761 CG1 VAL A 46 -13.910 -1.918 -7.489 1.00 72.22 C ATOM 762 CG2 VAL A 46 -12.854 -3.967 -8.582 1.00 32.42 C ATOM 0 H VAL A 46 -11.013 -4.682 -6.718 1.00 13.41 H new ATOM 0 HA VAL A 46 -11.072 -2.030 -7.672 1.00 40.05 H new ATOM 0 HB VAL A 46 -13.329 -3.724 -6.491 1.00 43.33 H new ATOM 0 HG11 VAL A 46 -14.888 -2.295 -7.789 1.00 72.22 H new ATOM 0 HG12 VAL A 46 -14.005 -1.371 -6.551 1.00 72.22 H new ATOM 0 HG13 VAL A 46 -13.525 -1.251 -8.261 1.00 72.22 H new ATOM 0 HG21 VAL A 46 -13.856 -4.290 -8.866 1.00 32.42 H new ATOM 0 HG22 VAL A 46 -12.421 -3.376 -9.389 1.00 32.42 H new ATOM 0 HG23 VAL A 46 -12.230 -4.841 -8.397 1.00 32.42 H new ATOM 772 N ASP A 47 -11.931 -2.337 -4.450 1.00 4.14 N ATOM 773 CA ASP A 47 -12.108 -1.624 -3.158 1.00 15.32 C ATOM 774 C ASP A 47 -10.792 -0.952 -2.692 1.00 5.32 C ATOM 775 O ASP A 47 -10.800 0.129 -2.085 1.00 14.12 O ATOM 776 CB ASP A 47 -12.610 -2.620 -2.084 1.00 64.40 C ATOM 777 CG ASP A 47 -13.885 -3.359 -2.520 1.00 73.21 C ATOM 778 OD1 ASP A 47 -15.003 -2.862 -2.260 1.00 63.11 O ATOM 779 OD2 ASP A 47 -13.769 -4.427 -3.158 1.00 75.31 O ATOM 0 H ASP A 47 -12.087 -3.343 -4.383 1.00 4.14 H new ATOM 0 HA ASP A 47 -12.846 -0.835 -3.301 1.00 15.32 H new ATOM 0 HB2 ASP A 47 -11.826 -3.347 -1.872 1.00 64.40 H new ATOM 0 HB3 ASP A 47 -12.805 -2.082 -1.156 1.00 64.40 H new ATOM 784 N PHE A 48 -9.669 -1.616 -3.003 1.00 52.31 N ATOM 785 CA PHE A 48 -8.319 -1.134 -2.676 1.00 43.31 C ATOM 786 C PHE A 48 -7.932 0.113 -3.521 1.00 2.40 C ATOM 787 O PHE A 48 -7.315 1.058 -3.009 1.00 14.41 O ATOM 788 CB PHE A 48 -7.305 -2.281 -2.893 1.00 4.12 C ATOM 789 CG PHE A 48 -5.892 -1.933 -2.454 1.00 21.23 C ATOM 790 CD1 PHE A 48 -5.642 -1.614 -1.122 1.00 63.34 C ATOM 791 CD2 PHE A 48 -4.833 -1.898 -3.360 1.00 41.31 C ATOM 792 CE1 PHE A 48 -4.384 -1.266 -0.709 1.00 12.33 C ATOM 793 CE2 PHE A 48 -3.573 -1.545 -2.944 1.00 12.12 C ATOM 794 CZ PHE A 48 -3.351 -1.236 -1.616 1.00 61.23 C ATOM 0 H PHE A 48 -9.672 -2.511 -3.493 1.00 52.31 H new ATOM 0 HA PHE A 48 -8.303 -0.825 -1.631 1.00 43.31 H new ATOM 0 HB2 PHE A 48 -7.641 -3.161 -2.344 1.00 4.12 H new ATOM 0 HB3 PHE A 48 -7.293 -2.549 -3.949 1.00 4.12 H new ATOM 0 HD1 PHE A 48 -6.450 -1.641 -0.406 1.00 63.34 H new ATOM 0 HD2 PHE A 48 -5.005 -2.150 -4.396 1.00 41.31 H new ATOM 0 HE1 PHE A 48 -4.204 -1.016 0.326 1.00 12.33 H new ATOM 0 HE2 PHE A 48 -2.759 -1.509 -3.652 1.00 12.12 H new ATOM 0 HZ PHE A 48 -2.358 -0.969 -1.287 1.00 61.23 H new ATOM 804 N ASN A 49 -8.307 0.098 -4.816 1.00 31.14 N ATOM 805 CA ASN A 49 -8.099 1.247 -5.728 1.00 0.21 C ATOM 806 C ASN A 49 -8.970 2.453 -5.312 1.00 34.43 C ATOM 807 O ASN A 49 -8.544 3.598 -5.449 1.00 61.45 O ATOM 808 CB ASN A 49 -8.394 0.861 -7.200 1.00 3.13 C ATOM 809 CG ASN A 49 -7.445 -0.199 -7.771 1.00 34.43 C ATOM 810 OD1 ASN A 49 -6.289 -0.320 -7.370 1.00 20.52 O ATOM 811 ND2 ASN A 49 -7.927 -0.972 -8.727 1.00 24.01 N ATOM 0 H ASN A 49 -8.759 -0.702 -5.259 1.00 31.14 H new ATOM 0 HA ASN A 49 -7.050 1.533 -5.652 1.00 0.21 H new ATOM 0 HB2 ASN A 49 -9.417 0.492 -7.270 1.00 3.13 H new ATOM 0 HB3 ASN A 49 -8.335 1.757 -7.818 1.00 3.13 H new ATOM 0 HD21 ASN A 49 -7.337 -1.689 -9.150 1.00 24.01 H new ATOM 0 HD22 ASN A 49 -8.889 -0.852 -9.043 1.00 24.01 H new ATOM 818 N GLU A 50 -10.190 2.172 -4.806 1.00 41.01 N ATOM 819 CA GLU A 50 -11.104 3.208 -4.268 1.00 31.54 C ATOM 820 C GLU A 50 -10.531 3.873 -2.996 1.00 0.30 C ATOM 821 O GLU A 50 -10.776 5.055 -2.740 1.00 55.11 O ATOM 822 CB GLU A 50 -12.507 2.606 -3.968 1.00 11.23 C ATOM 823 CG GLU A 50 -13.215 1.963 -5.184 1.00 41.32 C ATOM 824 CD GLU A 50 -13.160 2.818 -6.462 1.00 31.04 C ATOM 825 OE1 GLU A 50 -13.802 3.889 -6.500 1.00 31.21 O ATOM 826 OE2 GLU A 50 -12.463 2.431 -7.431 1.00 11.45 O ATOM 0 H GLU A 50 -10.569 1.226 -4.758 1.00 41.01 H new ATOM 0 HA GLU A 50 -11.204 3.977 -5.034 1.00 31.54 H new ATOM 0 HB2 GLU A 50 -12.403 1.853 -3.187 1.00 11.23 H new ATOM 0 HB3 GLU A 50 -13.146 3.394 -3.569 1.00 11.23 H new ATOM 0 HG2 GLU A 50 -12.759 0.994 -5.387 1.00 41.32 H new ATOM 0 HG3 GLU A 50 -14.258 1.777 -4.928 1.00 41.32 H new ATOM 833 N MET A 51 -9.769 3.094 -2.211 1.00 11.42 N ATOM 834 CA MET A 51 -9.069 3.600 -1.013 1.00 50.25 C ATOM 835 C MET A 51 -7.933 4.580 -1.409 1.00 41.32 C ATOM 836 O MET A 51 -7.802 5.644 -0.821 1.00 42.12 O ATOM 837 CB MET A 51 -8.528 2.409 -0.178 1.00 30.23 C ATOM 838 CG MET A 51 -7.837 2.791 1.143 1.00 74.01 C ATOM 839 SD MET A 51 -7.499 1.357 2.190 1.00 73.32 S ATOM 840 CE MET A 51 -9.160 0.807 2.612 1.00 35.42 C ATOM 0 H MET A 51 -9.620 2.100 -2.385 1.00 11.42 H new ATOM 0 HA MET A 51 -9.776 4.157 -0.398 1.00 50.25 H new ATOM 0 HB2 MET A 51 -9.357 1.738 0.046 1.00 30.23 H new ATOM 0 HB3 MET A 51 -7.821 1.849 -0.790 1.00 30.23 H new ATOM 0 HG2 MET A 51 -6.901 3.305 0.924 1.00 74.01 H new ATOM 0 HG3 MET A 51 -8.467 3.494 1.688 1.00 74.01 H new ATOM 0 HE1 MET A 51 -9.125 0.212 3.525 1.00 35.42 H new ATOM 0 HE2 MET A 51 -9.802 1.674 2.768 1.00 35.42 H new ATOM 0 HE3 MET A 51 -9.560 0.201 1.799 1.00 35.42 H new ATOM 850 N MET A 52 -7.143 4.212 -2.434 1.00 4.21 N ATOM 851 CA MET A 52 -6.056 5.077 -2.965 1.00 2.34 C ATOM 852 C MET A 52 -6.612 6.298 -3.753 1.00 4.20 C ATOM 853 O MET A 52 -5.972 7.350 -3.806 1.00 13.13 O ATOM 854 CB MET A 52 -5.103 4.252 -3.868 1.00 5.52 C ATOM 855 CG MET A 52 -4.371 3.101 -3.156 1.00 63.34 C ATOM 856 SD MET A 52 -3.182 2.262 -4.234 1.00 22.22 S ATOM 857 CE MET A 52 -4.239 1.527 -5.480 1.00 72.43 C ATOM 0 H MET A 52 -7.232 3.318 -2.918 1.00 4.21 H new ATOM 0 HA MET A 52 -5.502 5.462 -2.109 1.00 2.34 H new ATOM 0 HB2 MET A 52 -5.678 3.840 -4.697 1.00 5.52 H new ATOM 0 HB3 MET A 52 -4.361 4.924 -4.298 1.00 5.52 H new ATOM 0 HG2 MET A 52 -3.851 3.492 -2.281 1.00 63.34 H new ATOM 0 HG3 MET A 52 -5.102 2.378 -2.795 1.00 63.34 H new ATOM 0 HE1 MET A 52 -3.638 0.911 -6.149 1.00 72.43 H new ATOM 0 HE2 MET A 52 -4.995 0.907 -4.997 1.00 72.43 H new ATOM 0 HE3 MET A 52 -4.728 2.315 -6.053 1.00 72.43 H new ATOM 867 N SER A 53 -7.797 6.125 -4.370 1.00 14.34 N ATOM 868 CA SER A 53 -8.471 7.184 -5.164 1.00 34.11 C ATOM 869 C SER A 53 -8.994 8.314 -4.260 1.00 3.51 C ATOM 870 O SER A 53 -8.667 9.492 -4.446 1.00 13.11 O ATOM 871 CB SER A 53 -9.664 6.582 -5.953 1.00 14.01 C ATOM 872 OG SER A 53 -10.286 7.533 -6.814 1.00 14.14 O ATOM 0 H SER A 53 -8.318 5.249 -4.335 1.00 14.34 H new ATOM 0 HA SER A 53 -7.735 7.596 -5.854 1.00 34.11 H new ATOM 0 HB2 SER A 53 -9.314 5.736 -6.544 1.00 14.01 H new ATOM 0 HB3 SER A 53 -10.402 6.196 -5.250 1.00 14.01 H new ATOM 0 HG SER A 53 -11.029 7.107 -7.290 1.00 14.14 H new ATOM 878 N LYS A 54 -9.814 7.917 -3.278 1.00 44.52 N ATOM 879 CA LYS A 54 -10.496 8.838 -2.359 1.00 21.21 C ATOM 880 C LYS A 54 -9.492 9.393 -1.320 1.00 11.11 C ATOM 881 O LYS A 54 -9.405 10.611 -1.116 1.00 72.43 O ATOM 882 CB LYS A 54 -11.709 8.094 -1.712 1.00 3.42 C ATOM 883 CG LYS A 54 -12.729 8.978 -0.938 1.00 64.41 C ATOM 884 CD LYS A 54 -12.280 9.309 0.500 1.00 65.23 C ATOM 885 CE LYS A 54 -13.186 10.307 1.241 1.00 21.31 C ATOM 886 NZ LYS A 54 -12.682 10.569 2.620 1.00 51.33 N ATOM 0 H LYS A 54 -10.025 6.936 -3.097 1.00 44.52 H new ATOM 0 HA LYS A 54 -10.888 9.703 -2.893 1.00 21.21 H new ATOM 0 HB2 LYS A 54 -12.245 7.564 -2.500 1.00 3.42 H new ATOM 0 HB3 LYS A 54 -11.322 7.340 -1.027 1.00 3.42 H new ATOM 0 HG2 LYS A 54 -12.883 9.907 -1.486 1.00 64.41 H new ATOM 0 HG3 LYS A 54 -13.690 8.465 -0.902 1.00 64.41 H new ATOM 0 HD2 LYS A 54 -12.235 8.384 1.074 1.00 65.23 H new ATOM 0 HD3 LYS A 54 -11.268 9.713 0.467 1.00 65.23 H new ATOM 0 HE2 LYS A 54 -13.233 11.243 0.684 1.00 21.31 H new ATOM 0 HE3 LYS A 54 -14.201 9.914 1.290 1.00 21.31 H new ATOM 0 HZ1 LYS A 54 -12.773 11.582 2.836 1.00 51.33 H new ATOM 0 HZ2 LYS A 54 -13.239 10.018 3.304 1.00 51.33 H new ATOM 0 HZ3 LYS A 54 -11.682 10.290 2.683 1.00 51.33 H new ATOM 900 N GLU A 55 -8.747 8.495 -0.656 1.00 14.15 N ATOM 901 CA GLU A 55 -7.621 8.885 0.215 1.00 52.25 C ATOM 902 C GLU A 55 -6.343 9.000 -0.650 1.00 63.12 C ATOM 903 O GLU A 55 -5.550 8.059 -0.745 1.00 4.45 O ATOM 904 CB GLU A 55 -7.443 7.863 1.375 1.00 53.41 C ATOM 905 CG GLU A 55 -8.713 7.598 2.221 1.00 24.51 C ATOM 906 CD GLU A 55 -9.153 8.791 3.094 1.00 33.23 C ATOM 907 OE1 GLU A 55 -9.828 9.707 2.592 1.00 13.40 O ATOM 908 OE2 GLU A 55 -8.844 8.810 4.301 1.00 44.21 O ATOM 0 H GLU A 55 -8.904 7.488 -0.705 1.00 14.15 H new ATOM 0 HA GLU A 55 -7.824 9.852 0.676 1.00 52.25 H new ATOM 0 HB2 GLU A 55 -7.102 6.917 0.955 1.00 53.41 H new ATOM 0 HB3 GLU A 55 -6.654 8.222 2.036 1.00 53.41 H new ATOM 0 HG2 GLU A 55 -9.531 7.330 1.553 1.00 24.51 H new ATOM 0 HG3 GLU A 55 -8.533 6.738 2.866 1.00 24.51 H new ATOM 915 N GLN A 56 -6.194 10.154 -1.330 1.00 31.23 N ATOM 916 CA GLN A 56 -5.103 10.383 -2.304 1.00 23.24 C ATOM 917 C GLN A 56 -3.713 10.441 -1.619 1.00 13.54 C ATOM 918 O GLN A 56 -3.468 11.287 -0.749 1.00 32.44 O ATOM 919 CB GLN A 56 -5.364 11.687 -3.108 1.00 33.35 C ATOM 920 CG GLN A 56 -4.273 12.024 -4.149 1.00 74.03 C ATOM 921 CD GLN A 56 -4.534 13.299 -4.968 1.00 33.34 C ATOM 922 OE1 GLN A 56 -4.119 13.394 -6.115 1.00 70.41 O ATOM 923 NE2 GLN A 56 -5.186 14.298 -4.385 1.00 42.21 N ATOM 0 H GLN A 56 -6.822 10.951 -1.222 1.00 31.23 H new ATOM 0 HA GLN A 56 -5.093 9.535 -2.988 1.00 23.24 H new ATOM 0 HB2 GLN A 56 -6.322 11.598 -3.620 1.00 33.35 H new ATOM 0 HB3 GLN A 56 -5.452 12.519 -2.409 1.00 33.35 H new ATOM 0 HG2 GLN A 56 -3.319 12.130 -3.633 1.00 74.03 H new ATOM 0 HG3 GLN A 56 -4.173 11.183 -4.835 1.00 74.03 H new ATOM 0 HE21 GLN A 56 -5.523 14.197 -3.428 1.00 42.21 H new ATOM 0 HE22 GLN A 56 -5.350 15.166 -4.894 1.00 42.21 H new ATOM 932 N PHE A 57 -2.815 9.528 -2.023 1.00 73.45 N ATOM 933 CA PHE A 57 -1.429 9.457 -1.505 1.00 64.25 C ATOM 934 C PHE A 57 -0.436 10.144 -2.469 1.00 61.41 C ATOM 935 O PHE A 57 -0.748 10.367 -3.645 1.00 51.41 O ATOM 936 CB PHE A 57 -1.026 7.977 -1.292 1.00 61.21 C ATOM 937 CG PHE A 57 -1.960 7.214 -0.353 1.00 72.14 C ATOM 938 CD1 PHE A 57 -1.980 7.499 1.011 1.00 20.24 C ATOM 939 CD2 PHE A 57 -2.815 6.217 -0.830 1.00 34.54 C ATOM 940 CE1 PHE A 57 -2.832 6.824 1.863 1.00 53.33 C ATOM 941 CE2 PHE A 57 -3.664 5.543 0.025 1.00 43.11 C ATOM 942 CZ PHE A 57 -3.667 5.843 1.373 1.00 22.53 C ATOM 0 H PHE A 57 -3.025 8.814 -2.720 1.00 73.45 H new ATOM 0 HA PHE A 57 -1.392 9.985 -0.552 1.00 64.25 H new ATOM 0 HB2 PHE A 57 -1.006 7.473 -2.258 1.00 61.21 H new ATOM 0 HB3 PHE A 57 -0.013 7.940 -0.891 1.00 61.21 H new ATOM 0 HD1 PHE A 57 -1.321 8.257 1.407 1.00 20.24 H new ATOM 0 HD2 PHE A 57 -2.812 5.970 -1.881 1.00 34.54 H new ATOM 0 HE1 PHE A 57 -2.844 7.065 2.916 1.00 53.33 H new ATOM 0 HE2 PHE A 57 -4.326 4.781 -0.360 1.00 43.11 H new ATOM 0 HZ PHE A 57 -4.324 5.309 2.043 1.00 22.53 H new ATOM 952 N ASN A 58 0.768 10.462 -1.957 1.00 43.41 N ATOM 953 CA ASN A 58 1.875 11.013 -2.773 1.00 71.53 C ATOM 954 C ASN A 58 2.444 9.949 -3.740 1.00 64.42 C ATOM 955 O ASN A 58 2.249 8.746 -3.531 1.00 21.41 O ATOM 956 CB ASN A 58 3.004 11.535 -1.854 1.00 32.25 C ATOM 957 CG ASN A 58 2.576 12.725 -0.991 1.00 72.32 C ATOM 958 OD1 ASN A 58 2.720 13.878 -1.379 1.00 50.50 O ATOM 959 ND2 ASN A 58 2.043 12.457 0.185 1.00 5.34 N ATOM 0 H ASN A 58 1.004 10.346 -0.971 1.00 43.41 H new ATOM 0 HA ASN A 58 1.475 11.836 -3.365 1.00 71.53 H new ATOM 0 HB2 ASN A 58 3.339 10.726 -1.205 1.00 32.25 H new ATOM 0 HB3 ASN A 58 3.857 11.827 -2.467 1.00 32.25 H new ATOM 0 HD21 ASN A 58 1.740 13.218 0.793 1.00 5.34 H new ATOM 0 HD22 ASN A 58 1.933 11.489 0.486 1.00 5.34 H new ATOM 966 N GLU A 59 3.173 10.411 -4.780 1.00 63.14 N ATOM 967 CA GLU A 59 3.828 9.517 -5.775 1.00 62.35 C ATOM 968 C GLU A 59 4.826 8.533 -5.111 1.00 73.01 C ATOM 969 O GLU A 59 4.957 7.387 -5.547 1.00 22.44 O ATOM 970 CB GLU A 59 4.527 10.350 -6.890 1.00 12.54 C ATOM 971 CG GLU A 59 5.529 11.414 -6.388 1.00 25.53 C ATOM 972 CD GLU A 59 6.286 12.127 -7.527 1.00 23.23 C ATOM 973 OE1 GLU A 59 5.713 13.046 -8.157 1.00 73.13 O ATOM 974 OE2 GLU A 59 7.452 11.768 -7.805 1.00 75.41 O ATOM 0 H GLU A 59 3.326 11.404 -4.957 1.00 63.14 H new ATOM 0 HA GLU A 59 3.043 8.915 -6.232 1.00 62.35 H new ATOM 0 HB2 GLU A 59 5.052 9.666 -7.557 1.00 12.54 H new ATOM 0 HB3 GLU A 59 3.760 10.848 -7.484 1.00 12.54 H new ATOM 0 HG2 GLU A 59 4.993 12.157 -5.797 1.00 25.53 H new ATOM 0 HG3 GLU A 59 6.251 10.938 -5.724 1.00 25.53 H new ATOM 981 N ALA A 60 5.511 9.003 -4.049 1.00 54.12 N ATOM 982 CA ALA A 60 6.400 8.170 -3.209 1.00 3.11 C ATOM 983 C ALA A 60 5.625 7.017 -2.525 1.00 73.23 C ATOM 984 O ALA A 60 6.040 5.856 -2.593 1.00 22.13 O ATOM 985 CB ALA A 60 7.102 9.044 -2.155 1.00 21.22 C ATOM 0 H ALA A 60 5.464 9.976 -3.747 1.00 54.12 H new ATOM 0 HA ALA A 60 7.150 7.721 -3.859 1.00 3.11 H new ATOM 0 HB1 ALA A 60 7.754 8.422 -1.542 1.00 21.22 H new ATOM 0 HB2 ALA A 60 7.696 9.810 -2.654 1.00 21.22 H new ATOM 0 HB3 ALA A 60 6.354 9.521 -1.521 1.00 21.22 H new ATOM 991 N GLN A 61 4.491 7.360 -1.880 1.00 32.40 N ATOM 992 CA GLN A 61 3.638 6.384 -1.158 1.00 65.05 C ATOM 993 C GLN A 61 3.076 5.299 -2.115 1.00 75.41 C ATOM 994 O GLN A 61 3.217 4.095 -1.869 1.00 33.01 O ATOM 995 CB GLN A 61 2.469 7.117 -0.442 1.00 23.00 C ATOM 996 CG GLN A 61 2.891 8.171 0.598 1.00 3.23 C ATOM 997 CD GLN A 61 1.704 8.747 1.393 1.00 70.53 C ATOM 998 OE1 GLN A 61 1.093 9.732 1.000 1.00 74.52 O ATOM 999 NE2 GLN A 61 1.365 8.128 2.511 1.00 74.23 N ATOM 0 H GLN A 61 4.139 8.317 -1.843 1.00 32.40 H new ATOM 0 HA GLN A 61 4.261 5.887 -0.415 1.00 65.05 H new ATOM 0 HB2 GLN A 61 1.850 7.603 -1.197 1.00 23.00 H new ATOM 0 HB3 GLN A 61 1.844 6.373 0.052 1.00 23.00 H new ATOM 0 HG2 GLN A 61 3.602 7.723 1.292 1.00 3.23 H new ATOM 0 HG3 GLN A 61 3.410 8.985 0.091 1.00 3.23 H new ATOM 0 HE21 GLN A 61 1.889 7.309 2.819 1.00 74.23 H new ATOM 0 HE22 GLN A 61 0.580 8.470 3.065 1.00 74.23 H new ATOM 1008 N LEU A 62 2.472 5.764 -3.222 1.00 53.24 N ATOM 1009 CA LEU A 62 1.875 4.902 -4.270 1.00 62.32 C ATOM 1010 C LEU A 62 2.919 3.995 -4.976 1.00 35.43 C ATOM 1011 O LEU A 62 2.569 2.914 -5.454 1.00 34.32 O ATOM 1012 CB LEU A 62 1.141 5.785 -5.310 1.00 64.01 C ATOM 1013 CG LEU A 62 -0.131 6.529 -4.789 1.00 54.14 C ATOM 1014 CD1 LEU A 62 -0.684 7.515 -5.841 1.00 60.44 C ATOM 1015 CD2 LEU A 62 -1.223 5.519 -4.344 1.00 71.23 C ATOM 0 H LEU A 62 2.381 6.760 -3.421 1.00 53.24 H new ATOM 0 HA LEU A 62 1.168 4.235 -3.777 1.00 62.32 H new ATOM 0 HB2 LEU A 62 1.843 6.527 -5.690 1.00 64.01 H new ATOM 0 HB3 LEU A 62 0.853 5.158 -6.153 1.00 64.01 H new ATOM 0 HG LEU A 62 0.165 7.113 -3.918 1.00 54.14 H new ATOM 0 HD11 LEU A 62 -1.568 8.013 -5.443 1.00 60.44 H new ATOM 0 HD12 LEU A 62 0.077 8.259 -6.078 1.00 60.44 H new ATOM 0 HD13 LEU A 62 -0.952 6.969 -6.746 1.00 60.44 H new ATOM 0 HD21 LEU A 62 -2.097 6.063 -3.986 1.00 71.23 H new ATOM 0 HD22 LEU A 62 -1.506 4.893 -5.190 1.00 71.23 H new ATOM 0 HD23 LEU A 62 -0.833 4.891 -3.543 1.00 71.23 H new ATOM 1027 N ALA A 63 4.191 4.449 -5.032 1.00 24.02 N ATOM 1028 CA ALA A 63 5.305 3.671 -5.633 1.00 72.15 C ATOM 1029 C ALA A 63 5.527 2.315 -4.917 1.00 52.43 C ATOM 1030 O ALA A 63 5.820 1.307 -5.554 1.00 64.14 O ATOM 1031 CB ALA A 63 6.601 4.499 -5.621 1.00 34.20 C ATOM 0 H ALA A 63 4.476 5.357 -4.666 1.00 24.02 H new ATOM 0 HA ALA A 63 5.027 3.451 -6.664 1.00 72.15 H new ATOM 0 HB1 ALA A 63 7.409 3.917 -6.064 1.00 34.20 H new ATOM 0 HB2 ALA A 63 6.454 5.413 -6.197 1.00 34.20 H new ATOM 0 HB3 ALA A 63 6.860 4.755 -4.594 1.00 34.20 H new ATOM 1037 N LEU A 64 5.398 2.321 -3.583 1.00 31.31 N ATOM 1038 CA LEU A 64 5.492 1.096 -2.758 1.00 70.42 C ATOM 1039 C LEU A 64 4.201 0.260 -2.863 1.00 51.21 C ATOM 1040 O LEU A 64 4.240 -0.924 -3.192 1.00 21.32 O ATOM 1041 CB LEU A 64 5.756 1.475 -1.278 1.00 24.35 C ATOM 1042 CG LEU A 64 5.964 0.287 -0.285 1.00 2.13 C ATOM 1043 CD1 LEU A 64 7.313 -0.425 -0.521 1.00 14.41 C ATOM 1044 CD2 LEU A 64 5.820 0.743 1.183 1.00 52.34 C ATOM 0 H LEU A 64 5.226 3.168 -3.042 1.00 31.31 H new ATOM 0 HA LEU A 64 6.321 0.495 -3.131 1.00 70.42 H new ATOM 0 HB2 LEU A 64 6.640 2.111 -1.240 1.00 24.35 H new ATOM 0 HB3 LEU A 64 4.917 2.074 -0.924 1.00 24.35 H new ATOM 0 HG LEU A 64 5.174 -0.438 -0.483 1.00 2.13 H new ATOM 0 HD11 LEU A 64 7.421 -1.245 0.189 1.00 14.41 H new ATOM 0 HD12 LEU A 64 7.344 -0.818 -1.537 1.00 14.41 H new ATOM 0 HD13 LEU A 64 8.128 0.285 -0.382 1.00 14.41 H new ATOM 0 HD21 LEU A 64 5.971 -0.109 1.845 1.00 52.34 H new ATOM 0 HD22 LEU A 64 6.565 1.508 1.401 1.00 52.34 H new ATOM 0 HD23 LEU A 64 4.822 1.153 1.341 1.00 52.34 H new ATOM 1056 N ILE A 65 3.064 0.926 -2.582 1.00 3.21 N ATOM 1057 CA ILE A 65 1.718 0.304 -2.507 1.00 22.12 C ATOM 1058 C ILE A 65 1.368 -0.517 -3.787 1.00 72.51 C ATOM 1059 O ILE A 65 1.054 -1.712 -3.710 1.00 74.24 O ATOM 1060 CB ILE A 65 0.629 1.430 -2.266 1.00 73.12 C ATOM 1061 CG1 ILE A 65 0.808 2.104 -0.862 1.00 71.21 C ATOM 1062 CG2 ILE A 65 -0.809 0.897 -2.434 1.00 53.41 C ATOM 1063 CD1 ILE A 65 -0.145 3.268 -0.584 1.00 43.11 C ATOM 0 H ILE A 65 3.050 1.929 -2.397 1.00 3.21 H new ATOM 0 HA ILE A 65 1.724 -0.397 -1.672 1.00 22.12 H new ATOM 0 HB ILE A 65 0.787 2.187 -3.034 1.00 73.12 H new ATOM 0 HG12 ILE A 65 0.669 1.347 -0.090 1.00 71.21 H new ATOM 0 HG13 ILE A 65 1.833 2.463 -0.775 1.00 71.21 H new ATOM 0 HG21 ILE A 65 -1.519 1.705 -2.259 1.00 53.41 H new ATOM 0 HG22 ILE A 65 -0.939 0.513 -3.446 1.00 53.41 H new ATOM 0 HG23 ILE A 65 -0.986 0.096 -1.716 1.00 53.41 H new ATOM 0 HD11 ILE A 65 0.053 3.671 0.409 1.00 43.11 H new ATOM 0 HD12 ILE A 65 0.007 4.049 -1.329 1.00 43.11 H new ATOM 0 HD13 ILE A 65 -1.175 2.915 -0.634 1.00 43.11 H new ATOM 1075 N ARG A 66 1.465 0.140 -4.949 1.00 45.13 N ATOM 1076 CA ARG A 66 1.087 -0.435 -6.263 1.00 2.45 C ATOM 1077 C ARG A 66 2.056 -1.556 -6.733 1.00 11.22 C ATOM 1078 O ARG A 66 1.620 -2.536 -7.344 1.00 31.51 O ATOM 1079 CB ARG A 66 1.004 0.715 -7.299 1.00 74.53 C ATOM 1080 CG ARG A 66 -0.242 1.632 -7.135 1.00 41.33 C ATOM 1081 CD ARG A 66 -0.055 3.049 -7.734 1.00 13.52 C ATOM 1082 NE ARG A 66 0.626 3.051 -9.049 1.00 20.33 N ATOM 1083 CZ ARG A 66 0.444 3.930 -10.010 1.00 12.33 C ATOM 1084 NH1 ARG A 66 -0.473 4.843 -9.938 1.00 63.41 N ATOM 1085 NH2 ARG A 66 1.191 3.878 -11.064 1.00 53.45 N ATOM 0 H ARG A 66 1.811 1.097 -5.013 1.00 45.13 H new ATOM 0 HA ARG A 66 0.114 -0.917 -6.163 1.00 2.45 H new ATOM 0 HB2 ARG A 66 1.903 1.326 -7.220 1.00 74.53 H new ATOM 0 HB3 ARG A 66 0.996 0.286 -8.301 1.00 74.53 H new ATOM 0 HG2 ARG A 66 -1.098 1.155 -7.612 1.00 41.33 H new ATOM 0 HG3 ARG A 66 -0.478 1.723 -6.075 1.00 41.33 H new ATOM 0 HD2 ARG A 66 -1.031 3.522 -7.839 1.00 13.52 H new ATOM 0 HD3 ARG A 66 0.520 3.657 -7.035 1.00 13.52 H new ATOM 0 HE ARG A 66 1.297 2.303 -9.225 1.00 20.33 H new ATOM 0 HH11 ARG A 66 -1.079 4.894 -9.119 1.00 63.41 H new ATOM 0 HH12 ARG A 66 -0.589 5.511 -10.700 1.00 63.41 H new ATOM 0 HH21 ARG A 66 1.912 3.161 -11.143 1.00 53.45 H new ATOM 0 HH22 ARG A 66 1.059 4.554 -11.816 1.00 53.45 H new ATOM 1099 N ASP A 67 3.355 -1.408 -6.425 1.00 13.44 N ATOM 1100 CA ASP A 67 4.391 -2.425 -6.755 1.00 5.15 C ATOM 1101 C ASP A 67 4.272 -3.701 -5.875 1.00 24.15 C ATOM 1102 O ASP A 67 4.521 -4.819 -6.352 1.00 34.05 O ATOM 1103 CB ASP A 67 5.803 -1.785 -6.653 1.00 33.35 C ATOM 1104 CG ASP A 67 6.165 -0.968 -7.907 1.00 55.02 C ATOM 1105 OD1 ASP A 67 5.475 0.034 -8.205 1.00 20.15 O ATOM 1106 OD2 ASP A 67 7.110 -1.358 -8.635 1.00 22.02 O ATOM 0 H ASP A 67 3.724 -0.588 -5.943 1.00 13.44 H new ATOM 0 HA ASP A 67 4.227 -2.755 -7.781 1.00 5.15 H new ATOM 0 HB2 ASP A 67 5.844 -1.139 -5.776 1.00 33.35 H new ATOM 0 HB3 ASP A 67 6.545 -2.569 -6.506 1.00 33.35 H new ATOM 1111 N ILE A 68 3.876 -3.529 -4.599 1.00 63.04 N ATOM 1112 CA ILE A 68 3.546 -4.666 -3.700 1.00 43.02 C ATOM 1113 C ILE A 68 2.221 -5.336 -4.149 1.00 33.53 C ATOM 1114 O ILE A 68 2.031 -6.539 -3.977 1.00 51.42 O ATOM 1115 CB ILE A 68 3.455 -4.204 -2.188 1.00 51.30 C ATOM 1116 CG1 ILE A 68 4.853 -3.713 -1.686 1.00 44.24 C ATOM 1117 CG2 ILE A 68 2.903 -5.321 -1.257 1.00 62.00 C ATOM 1118 CD1 ILE A 68 4.897 -3.247 -0.237 1.00 54.31 C ATOM 0 H ILE A 68 3.775 -2.613 -4.161 1.00 63.04 H new ATOM 0 HA ILE A 68 4.352 -5.396 -3.771 1.00 43.02 H new ATOM 0 HB ILE A 68 2.746 -3.377 -2.146 1.00 51.30 H new ATOM 0 HG12 ILE A 68 5.571 -4.523 -1.812 1.00 44.24 H new ATOM 0 HG13 ILE A 68 5.183 -2.893 -2.324 1.00 44.24 H new ATOM 0 HG21 ILE A 68 2.861 -4.953 -0.232 1.00 62.00 H new ATOM 0 HG22 ILE A 68 1.902 -5.604 -1.582 1.00 62.00 H new ATOM 0 HG23 ILE A 68 3.559 -6.190 -1.303 1.00 62.00 H new ATOM 0 HD11 ILE A 68 5.909 -2.928 0.012 1.00 54.31 H new ATOM 0 HD12 ILE A 68 4.209 -2.412 -0.102 1.00 54.31 H new ATOM 0 HD13 ILE A 68 4.604 -4.067 0.418 1.00 54.31 H new ATOM 1130 N ARG A 69 1.326 -4.534 -4.745 1.00 41.11 N ATOM 1131 CA ARG A 69 0.044 -5.018 -5.298 1.00 25.21 C ATOM 1132 C ARG A 69 0.254 -5.840 -6.609 1.00 71.12 C ATOM 1133 O ARG A 69 -0.534 -6.745 -6.915 1.00 20.52 O ATOM 1134 CB ARG A 69 -0.906 -3.806 -5.514 1.00 53.55 C ATOM 1135 CG ARG A 69 -2.377 -4.124 -5.879 1.00 72.45 C ATOM 1136 CD ARG A 69 -3.085 -5.056 -4.865 1.00 51.45 C ATOM 1137 NE ARG A 69 -2.745 -6.482 -5.078 1.00 70.42 N ATOM 1138 CZ ARG A 69 -2.920 -7.461 -4.220 1.00 1.23 C ATOM 1139 NH1 ARG A 69 -3.465 -7.256 -3.067 1.00 11.33 N ATOM 1140 NH2 ARG A 69 -2.575 -8.663 -4.551 1.00 71.00 N ATOM 0 H ARG A 69 1.467 -3.530 -4.859 1.00 41.11 H new ATOM 0 HA ARG A 69 -0.417 -5.702 -4.586 1.00 25.21 H new ATOM 0 HB2 ARG A 69 -0.904 -3.207 -4.603 1.00 53.55 H new ATOM 0 HB3 ARG A 69 -0.487 -3.184 -6.305 1.00 53.55 H new ATOM 0 HG2 ARG A 69 -2.934 -3.190 -5.950 1.00 72.45 H new ATOM 0 HG3 ARG A 69 -2.405 -4.587 -6.865 1.00 72.45 H new ATOM 0 HD2 ARG A 69 -2.806 -4.766 -3.852 1.00 51.45 H new ATOM 0 HD3 ARG A 69 -4.164 -4.926 -4.948 1.00 51.45 H new ATOM 0 HE ARG A 69 -2.335 -6.728 -5.979 1.00 70.42 H new ATOM 0 HH11 ARG A 69 -3.770 -6.318 -2.806 1.00 11.33 H new ATOM 0 HH12 ARG A 69 -3.591 -8.032 -2.417 1.00 11.33 H new ATOM 0 HH21 ARG A 69 -2.172 -8.843 -5.470 1.00 71.00 H new ATOM 0 HH22 ARG A 69 -2.706 -9.431 -3.893 1.00 71.00 H new ATOM 1154 N ARG A 70 1.322 -5.518 -7.375 1.00 5.34 N ATOM 1155 CA ARG A 70 1.717 -6.299 -8.583 1.00 34.53 C ATOM 1156 C ARG A 70 2.137 -7.749 -8.215 1.00 62.42 C ATOM 1157 O ARG A 70 1.757 -8.706 -8.894 1.00 62.35 O ATOM 1158 CB ARG A 70 2.873 -5.600 -9.352 1.00 42.42 C ATOM 1159 CG ARG A 70 2.539 -4.209 -9.927 1.00 74.12 C ATOM 1160 CD ARG A 70 1.406 -4.236 -10.963 1.00 53.13 C ATOM 1161 NE ARG A 70 1.159 -2.903 -11.538 1.00 24.23 N ATOM 1162 CZ ARG A 70 0.269 -2.624 -12.465 1.00 65.20 C ATOM 1163 NH1 ARG A 70 -0.539 -3.528 -12.928 1.00 33.42 N ATOM 1164 NH2 ARG A 70 0.183 -1.419 -12.924 1.00 2.33 N ATOM 0 H ARG A 70 1.930 -4.722 -7.182 1.00 5.34 H new ATOM 0 HA ARG A 70 0.840 -6.346 -9.229 1.00 34.53 H new ATOM 0 HB2 ARG A 70 3.726 -5.502 -8.680 1.00 42.42 H new ATOM 0 HB3 ARG A 70 3.185 -6.248 -10.171 1.00 42.42 H new ATOM 0 HG2 ARG A 70 2.259 -3.544 -9.110 1.00 74.12 H new ATOM 0 HG3 ARG A 70 3.433 -3.790 -10.388 1.00 74.12 H new ATOM 0 HD2 ARG A 70 1.659 -4.935 -11.760 1.00 53.13 H new ATOM 0 HD3 ARG A 70 0.494 -4.604 -10.494 1.00 53.13 H new ATOM 0 HE ARG A 70 1.726 -2.131 -11.188 1.00 24.23 H new ATOM 0 HH11 ARG A 70 -0.493 -4.483 -12.573 1.00 33.42 H new ATOM 0 HH12 ARG A 70 -1.220 -3.283 -13.647 1.00 33.42 H new ATOM 0 HH21 ARG A 70 0.803 -0.692 -12.567 1.00 2.33 H new ATOM 0 HH22 ARG A 70 -0.505 -1.195 -13.643 1.00 2.33 H new ATOM 1178 N ARG A 71 2.944 -7.882 -7.145 1.00 43.51 N ATOM 1179 CA ARG A 71 3.376 -9.200 -6.614 1.00 31.24 C ATOM 1180 C ARG A 71 2.226 -9.899 -5.835 1.00 62.21 C ATOM 1181 O ARG A 71 1.756 -10.971 -6.226 1.00 30.03 O ATOM 1182 CB ARG A 71 4.635 -9.014 -5.713 1.00 20.34 C ATOM 1183 CG ARG A 71 5.107 -10.279 -4.949 1.00 63.11 C ATOM 1184 CD ARG A 71 5.497 -11.450 -5.869 1.00 34.44 C ATOM 1185 NE ARG A 71 5.836 -12.649 -5.086 1.00 63.35 N ATOM 1186 CZ ARG A 71 7.051 -13.052 -4.772 1.00 71.13 C ATOM 1187 NH1 ARG A 71 8.106 -12.455 -5.233 1.00 60.33 N ATOM 1188 NH2 ARG A 71 7.193 -14.075 -3.990 1.00 15.03 N ATOM 0 H ARG A 71 3.316 -7.088 -6.624 1.00 43.51 H new ATOM 0 HA ARG A 71 3.635 -9.847 -7.452 1.00 31.24 H new ATOM 0 HB2 ARG A 71 5.456 -8.661 -6.336 1.00 20.34 H new ATOM 0 HB3 ARG A 71 4.426 -8.229 -4.986 1.00 20.34 H new ATOM 0 HG2 ARG A 71 5.962 -10.018 -4.326 1.00 63.11 H new ATOM 0 HG3 ARG A 71 4.312 -10.605 -4.278 1.00 63.11 H new ATOM 0 HD2 ARG A 71 4.673 -11.675 -6.546 1.00 34.44 H new ATOM 0 HD3 ARG A 71 6.348 -11.163 -6.487 1.00 34.44 H new ATOM 0 HE ARG A 71 5.059 -13.221 -4.756 1.00 63.35 H new ATOM 0 HH11 ARG A 71 8.007 -11.653 -5.855 1.00 60.33 H new ATOM 0 HH12 ARG A 71 9.035 -12.788 -4.974 1.00 60.33 H new ATOM 0 HH21 ARG A 71 6.371 -14.557 -3.626 1.00 15.03 H new ATOM 0 HH22 ARG A 71 8.127 -14.399 -3.738 1.00 15.03 H new