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 Single : A 22 THR OG1 : rot 180:sc= -0.0145 USER MOD Single : A 29 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.584) USER MOD Single : A 32 HIS : no HE2:sc= 0.0781 K(o=0.078,f=-1.6) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 49 ASN : amide:sc= -0.122 K(o=-0.12,f=-4.6!) USER MOD Single : A 51 MET CE :methyl 174:sc= 0 (180deg=-0.0423) USER MOD Single : A 52 MET CE :methyl 174:sc= -0.0151 (180deg=-0.0628) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.161 K(o=-0.16,f=-2.6!) USER MOD Single : A 61 GLN : amide:sc= -0.64 K(o=-0.64,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 329 N LEU A 21 8.625 -6.817 11.519 1.00 11.34 N ATOM 330 CA LEU A 21 9.295 -5.869 10.606 1.00 4.41 C ATOM 331 C LEU A 21 10.108 -6.555 9.479 1.00 32.32 C ATOM 332 O LEU A 21 11.275 -6.907 9.657 1.00 63.14 O ATOM 333 CB LEU A 21 10.187 -4.889 11.415 1.00 14.21 C ATOM 334 CG LEU A 21 9.438 -4.003 12.463 1.00 12.32 C ATOM 335 CD1 LEU A 21 10.407 -3.033 13.177 1.00 31.15 C ATOM 336 CD2 LEU A 21 8.258 -3.244 11.807 1.00 55.22 C ATOM 0 HA LEU A 21 8.504 -5.314 10.101 1.00 4.41 H new ATOM 0 HB2 LEU A 21 10.952 -5.466 11.934 1.00 14.21 H new ATOM 0 HB3 LEU A 21 10.704 -4.233 10.714 1.00 14.21 H new ATOM 0 HG LEU A 21 9.024 -4.666 13.223 1.00 12.32 H new ATOM 0 HD11 LEU A 21 9.854 -2.432 13.899 1.00 31.15 H new ATOM 0 HD12 LEU A 21 11.177 -3.604 13.695 1.00 31.15 H new ATOM 0 HD13 LEU A 21 10.874 -2.378 12.441 1.00 31.15 H new ATOM 0 HD21 LEU A 21 7.754 -2.635 12.558 1.00 55.22 H new ATOM 0 HD22 LEU A 21 8.636 -2.601 11.013 1.00 55.22 H new ATOM 0 HD23 LEU A 21 7.552 -3.961 11.388 1.00 55.22 H new ATOM 348 N THR A 22 9.446 -6.770 8.331 1.00 43.42 N ATOM 349 CA THR A 22 10.120 -7.077 7.048 1.00 73.02 C ATOM 350 C THR A 22 10.642 -5.768 6.412 1.00 1.50 C ATOM 351 O THR A 22 10.409 -4.674 6.944 1.00 43.21 O ATOM 352 CB THR A 22 9.144 -7.781 6.039 1.00 71.32 C ATOM 353 OG1 THR A 22 8.076 -6.883 5.680 1.00 0.40 O ATOM 354 CG2 THR A 22 8.549 -9.077 6.617 1.00 64.30 C ATOM 0 H THR A 22 8.429 -6.737 8.260 1.00 43.42 H new ATOM 0 HA THR A 22 10.947 -7.755 7.258 1.00 73.02 H new ATOM 0 HB THR A 22 9.726 -8.044 5.156 1.00 71.32 H new ATOM 0 HG1 THR A 22 7.472 -7.328 5.049 1.00 0.40 H new ATOM 0 HG21 THR A 22 7.880 -9.529 5.884 1.00 64.30 H new ATOM 0 HG22 THR A 22 9.354 -9.774 6.852 1.00 64.30 H new ATOM 0 HG23 THR A 22 7.991 -8.848 7.525 1.00 64.30 H new ATOM 362 N ARG A 23 11.327 -5.867 5.264 1.00 23.32 N ATOM 363 CA ARG A 23 11.811 -4.673 4.529 1.00 42.30 C ATOM 364 C ARG A 23 10.619 -3.841 3.980 1.00 11.24 C ATOM 365 O ARG A 23 10.718 -2.617 3.875 1.00 31.43 O ATOM 366 CB ARG A 23 12.785 -5.077 3.383 1.00 1.32 C ATOM 367 CG ARG A 23 14.205 -5.526 3.825 1.00 61.14 C ATOM 368 CD ARG A 23 14.215 -6.780 4.723 1.00 13.44 C ATOM 369 NE ARG A 23 13.570 -7.942 4.075 1.00 25.54 N ATOM 370 CZ ARG A 23 13.132 -9.027 4.690 1.00 75.50 C ATOM 371 NH1 ARG A 23 13.228 -9.173 5.975 1.00 33.02 N ATOM 372 NH2 ARG A 23 12.594 -9.976 3.998 1.00 62.13 N ATOM 0 H ARG A 23 11.561 -6.755 4.820 1.00 23.32 H new ATOM 0 HA ARG A 23 12.364 -4.048 5.230 1.00 42.30 H new ATOM 0 HB2 ARG A 23 12.329 -5.888 2.814 1.00 1.32 H new ATOM 0 HB3 ARG A 23 12.888 -4.230 2.704 1.00 1.32 H new ATOM 0 HG2 ARG A 23 14.806 -5.723 2.937 1.00 61.14 H new ATOM 0 HG3 ARG A 23 14.685 -4.706 4.359 1.00 61.14 H new ATOM 0 HD2 ARG A 23 15.244 -7.034 4.977 1.00 13.44 H new ATOM 0 HD3 ARG A 23 13.702 -6.558 5.659 1.00 13.44 H new ATOM 0 HE ARG A 23 13.452 -7.903 3.063 1.00 25.54 H new ATOM 0 HH11 ARG A 23 13.651 -8.438 6.542 1.00 33.02 H new ATOM 0 HH12 ARG A 23 12.880 -10.023 6.419 1.00 33.02 H new ATOM 0 HH21 ARG A 23 12.510 -9.884 2.986 1.00 62.13 H new ATOM 0 HH22 ARG A 23 12.253 -10.817 4.464 1.00 62.13 H new ATOM 386 N ASP A 24 9.497 -4.526 3.657 1.00 61.52 N ATOM 387 CA ASP A 24 8.229 -3.868 3.255 1.00 10.30 C ATOM 388 C ASP A 24 7.593 -3.074 4.425 1.00 43.54 C ATOM 389 O ASP A 24 7.057 -1.990 4.214 1.00 12.04 O ATOM 390 CB ASP A 24 7.222 -4.903 2.697 1.00 51.42 C ATOM 391 CG ASP A 24 7.678 -5.486 1.355 1.00 42.53 C ATOM 392 OD1 ASP A 24 7.459 -4.829 0.314 1.00 32.21 O ATOM 393 OD2 ASP A 24 8.294 -6.575 1.338 1.00 61.12 O ATOM 0 H ASP A 24 9.444 -5.545 3.667 1.00 61.52 H new ATOM 0 HA ASP A 24 8.474 -3.157 2.466 1.00 10.30 H new ATOM 0 HB2 ASP A 24 7.096 -5.710 3.418 1.00 51.42 H new ATOM 0 HB3 ASP A 24 6.248 -4.430 2.574 1.00 51.42 H new ATOM 398 N GLU A 25 7.663 -3.630 5.651 1.00 43.02 N ATOM 399 CA GLU A 25 7.178 -2.951 6.882 1.00 32.01 C ATOM 400 C GLU A 25 7.987 -1.665 7.185 1.00 73.40 C ATOM 401 O GLU A 25 7.415 -0.628 7.538 1.00 74.12 O ATOM 402 CB GLU A 25 7.257 -3.918 8.095 1.00 33.40 C ATOM 403 CG GLU A 25 6.347 -5.168 8.011 1.00 34.11 C ATOM 404 CD GLU A 25 4.860 -4.960 8.378 1.00 1.30 C ATOM 405 OE1 GLU A 25 4.439 -3.822 8.680 1.00 54.10 O ATOM 406 OE2 GLU A 25 4.115 -5.967 8.417 1.00 62.10 O ATOM 0 H GLU A 25 8.054 -4.557 5.822 1.00 43.02 H new ATOM 0 HA GLU A 25 6.141 -2.664 6.710 1.00 32.01 H new ATOM 0 HB2 GLU A 25 8.290 -4.249 8.207 1.00 33.40 H new ATOM 0 HB3 GLU A 25 7.000 -3.363 8.997 1.00 33.40 H new ATOM 0 HG2 GLU A 25 6.397 -5.559 6.995 1.00 34.11 H new ATOM 0 HG3 GLU A 25 6.757 -5.934 8.668 1.00 34.11 H new ATOM 413 N LEU A 26 9.321 -1.755 7.031 1.00 62.41 N ATOM 414 CA LEU A 26 10.246 -0.623 7.287 1.00 62.25 C ATOM 415 C LEU A 26 9.973 0.565 6.335 1.00 1.31 C ATOM 416 O LEU A 26 9.795 1.706 6.781 1.00 53.32 O ATOM 417 CB LEU A 26 11.720 -1.084 7.138 1.00 21.20 C ATOM 418 CG LEU A 26 12.188 -2.205 8.117 1.00 13.33 C ATOM 419 CD1 LEU A 26 13.661 -2.604 7.867 1.00 40.33 C ATOM 420 CD2 LEU A 26 11.954 -1.798 9.592 1.00 52.52 C ATOM 0 H LEU A 26 9.791 -2.608 6.727 1.00 62.41 H new ATOM 0 HA LEU A 26 10.072 -0.286 8.309 1.00 62.25 H new ATOM 0 HB2 LEU A 26 11.869 -1.435 6.117 1.00 21.20 H new ATOM 0 HB3 LEU A 26 12.367 -0.217 7.274 1.00 21.20 H new ATOM 0 HG LEU A 26 11.578 -3.086 7.918 1.00 13.33 H new ATOM 0 HD11 LEU A 26 13.950 -3.387 8.568 1.00 40.33 H new ATOM 0 HD12 LEU A 26 13.770 -2.972 6.847 1.00 40.33 H new ATOM 0 HD13 LEU A 26 14.303 -1.735 8.010 1.00 40.33 H new ATOM 0 HD21 LEU A 26 12.290 -2.600 10.249 1.00 52.52 H new ATOM 0 HD22 LEU A 26 12.515 -0.890 9.812 1.00 52.52 H new ATOM 0 HD23 LEU A 26 10.892 -1.617 9.755 1.00 52.52 H new ATOM 432 N ARG A 27 9.919 0.269 5.023 1.00 44.42 N ATOM 433 CA ARG A 27 9.663 1.282 3.975 1.00 64.15 C ATOM 434 C ARG A 27 8.204 1.820 4.039 1.00 41.22 C ATOM 435 O ARG A 27 7.960 2.977 3.702 1.00 22.12 O ATOM 436 CB ARG A 27 10.002 0.712 2.566 1.00 23.42 C ATOM 437 CG ARG A 27 9.116 -0.461 2.116 1.00 13.21 C ATOM 438 CD ARG A 27 9.545 -1.090 0.777 1.00 73.30 C ATOM 439 NE ARG A 27 10.844 -1.784 0.846 1.00 32.35 N ATOM 440 CZ ARG A 27 11.082 -3.000 0.393 1.00 25.43 C ATOM 441 NH1 ARG A 27 10.127 -3.756 -0.046 1.00 4.11 N ATOM 442 NH2 ARG A 27 12.286 -3.461 0.406 1.00 52.05 N ATOM 0 H ARG A 27 10.051 -0.674 4.658 1.00 44.42 H new ATOM 0 HA ARG A 27 10.321 2.130 4.162 1.00 64.15 H new ATOM 0 HB2 ARG A 27 9.917 1.515 1.834 1.00 23.42 H new ATOM 0 HB3 ARG A 27 11.042 0.386 2.562 1.00 23.42 H new ATOM 0 HG2 ARG A 27 9.129 -1.230 2.888 1.00 13.21 H new ATOM 0 HG3 ARG A 27 8.087 -0.113 2.030 1.00 13.21 H new ATOM 0 HD2 ARG A 27 8.780 -1.797 0.455 1.00 73.30 H new ATOM 0 HD3 ARG A 27 9.598 -0.310 0.018 1.00 73.30 H new ATOM 0 HE ARG A 27 11.621 -1.284 1.279 1.00 32.35 H new ATOM 0 HH11 ARG A 27 9.166 -3.415 -0.047 1.00 4.11 H new ATOM 0 HH12 ARG A 27 10.336 -4.693 -0.391 1.00 4.11 H new ATOM 0 HH21 ARG A 27 13.048 -2.886 0.765 1.00 52.05 H new ATOM 0 HH22 ARG A 27 12.476 -4.400 0.057 1.00 52.05 H new ATOM 456 N ALA A 28 7.250 0.971 4.492 1.00 61.52 N ATOM 457 CA ALA A 28 5.831 1.375 4.681 1.00 5.10 C ATOM 458 C ALA A 28 5.699 2.514 5.713 1.00 52.54 C ATOM 459 O ALA A 28 5.113 3.560 5.427 1.00 63.43 O ATOM 460 CB ALA A 28 4.971 0.170 5.097 1.00 23.45 C ATOM 0 H ALA A 28 7.436 -0.002 4.735 1.00 61.52 H new ATOM 0 HA ALA A 28 5.467 1.748 3.724 1.00 5.10 H new ATOM 0 HB1 ALA A 28 3.937 0.489 5.230 1.00 23.45 H new ATOM 0 HB2 ALA A 28 5.018 -0.595 4.322 1.00 23.45 H new ATOM 0 HB3 ALA A 28 5.347 -0.239 6.035 1.00 23.45 H new ATOM 466 N LYS A 29 6.290 2.303 6.902 1.00 23.42 N ATOM 467 CA LYS A 29 6.287 3.299 7.998 1.00 73.11 C ATOM 468 C LYS A 29 7.149 4.542 7.649 1.00 74.20 C ATOM 469 O LYS A 29 6.840 5.655 8.077 1.00 31.31 O ATOM 470 CB LYS A 29 6.803 2.652 9.301 1.00 20.53 C ATOM 471 CG LYS A 29 6.019 1.394 9.749 1.00 72.44 C ATOM 472 CD LYS A 29 6.543 0.817 11.087 1.00 72.51 C ATOM 473 CE LYS A 29 8.041 0.456 11.045 1.00 2.30 C ATOM 474 NZ LYS A 29 8.553 0.062 12.388 1.00 73.24 N ATOM 0 H LYS A 29 6.783 1.441 7.134 1.00 23.42 H new ATOM 0 HA LYS A 29 5.259 3.634 8.137 1.00 73.11 H new ATOM 0 HB2 LYS A 29 7.851 2.383 9.168 1.00 20.53 H new ATOM 0 HB3 LYS A 29 6.763 3.393 10.100 1.00 20.53 H new ATOM 0 HG2 LYS A 29 4.963 1.645 9.853 1.00 72.44 H new ATOM 0 HG3 LYS A 29 6.090 0.630 8.975 1.00 72.44 H new ATOM 0 HD2 LYS A 29 6.373 1.544 11.881 1.00 72.51 H new ATOM 0 HD3 LYS A 29 5.968 -0.073 11.342 1.00 72.51 H new ATOM 0 HE2 LYS A 29 8.198 -0.362 10.342 1.00 2.30 H new ATOM 0 HE3 LYS A 29 8.610 1.309 10.675 1.00 2.30 H new ATOM 0 HZ1 LYS A 29 9.422 -0.499 12.277 1.00 73.24 H new ATOM 0 HZ2 LYS A 29 8.760 0.916 12.945 1.00 73.24 H new ATOM 0 HZ3 LYS A 29 7.835 -0.506 12.880 1.00 73.24 H new ATOM 488 N ALA A 30 8.220 4.325 6.861 1.00 35.00 N ATOM 489 CA ALA A 30 9.117 5.404 6.376 1.00 30.02 C ATOM 490 C ALA A 30 8.383 6.382 5.421 1.00 62.11 C ATOM 491 O ALA A 30 8.705 7.574 5.367 1.00 23.34 O ATOM 492 CB ALA A 30 10.347 4.792 5.682 1.00 20.14 C ATOM 0 H ALA A 30 8.492 3.396 6.540 1.00 35.00 H new ATOM 0 HA ALA A 30 9.442 5.982 7.241 1.00 30.02 H new ATOM 0 HB1 ALA A 30 11.000 5.590 5.329 1.00 20.14 H new ATOM 0 HB2 ALA A 30 10.890 4.165 6.390 1.00 20.14 H new ATOM 0 HB3 ALA A 30 10.023 4.187 4.835 1.00 20.14 H new ATOM 498 N LEU A 31 7.405 5.853 4.661 1.00 51.33 N ATOM 499 CA LEU A 31 6.567 6.655 3.728 1.00 53.04 C ATOM 500 C LEU A 31 5.210 7.057 4.362 1.00 3.31 C ATOM 501 O LEU A 31 4.526 7.943 3.837 1.00 55.02 O ATOM 502 CB LEU A 31 6.333 5.849 2.420 1.00 41.23 C ATOM 503 CG LEU A 31 7.629 5.415 1.657 1.00 12.34 C ATOM 504 CD1 LEU A 31 7.299 4.576 0.409 1.00 53.22 C ATOM 505 CD2 LEU A 31 8.503 6.630 1.285 1.00 42.31 C ATOM 0 H LEU A 31 7.168 4.861 4.671 1.00 51.33 H new ATOM 0 HA LEU A 31 7.102 7.578 3.504 1.00 53.04 H new ATOM 0 HB2 LEU A 31 5.758 4.955 2.662 1.00 41.23 H new ATOM 0 HB3 LEU A 31 5.720 6.450 1.748 1.00 41.23 H new ATOM 0 HG LEU A 31 8.203 4.787 2.338 1.00 12.34 H new ATOM 0 HD11 LEU A 31 8.224 4.293 -0.094 1.00 53.22 H new ATOM 0 HD12 LEU A 31 6.759 3.677 0.707 1.00 53.22 H new ATOM 0 HD13 LEU A 31 6.681 5.162 -0.271 1.00 53.22 H new ATOM 0 HD21 LEU A 31 9.394 6.289 0.757 1.00 42.31 H new ATOM 0 HD22 LEU A 31 7.935 7.303 0.643 1.00 42.31 H new ATOM 0 HD23 LEU A 31 8.799 7.157 2.192 1.00 42.31 H new ATOM 517 N HIS A 32 4.857 6.409 5.500 1.00 24.25 N ATOM 518 CA HIS A 32 3.564 6.597 6.209 1.00 33.51 C ATOM 519 C HIS A 32 2.361 6.068 5.384 1.00 21.43 C ATOM 520 O HIS A 32 1.445 6.819 5.035 1.00 52.21 O ATOM 521 CB HIS A 32 3.346 8.076 6.684 1.00 60.12 C ATOM 522 CG HIS A 32 4.170 8.491 7.883 1.00 54.33 C ATOM 523 ND1 HIS A 32 5.468 8.087 8.085 1.00 12.30 N ATOM 524 CD2 HIS A 32 3.858 9.265 8.956 1.00 4.33 C ATOM 525 CE1 HIS A 32 5.916 8.583 9.217 1.00 41.42 C ATOM 526 NE2 HIS A 32 4.963 9.301 9.766 1.00 64.15 N ATOM 0 H HIS A 32 5.469 5.733 5.957 1.00 24.25 H new ATOM 0 HA HIS A 32 3.621 5.989 7.112 1.00 33.51 H new ATOM 0 HB2 HIS A 32 3.576 8.745 5.855 1.00 60.12 H new ATOM 0 HB3 HIS A 32 2.291 8.213 6.922 1.00 60.12 H new ATOM 0 HD1 HIS A 32 6.003 7.492 7.452 1.00 12.30 H new ATOM 0 HD2 HIS A 32 2.915 9.759 9.137 1.00 4.33 H new ATOM 0 HE1 HIS A 32 6.903 8.426 9.627 1.00 41.42 H new ATOM 535 N ILE A 33 2.395 4.762 5.046 1.00 22.23 N ATOM 536 CA ILE A 33 1.212 4.039 4.520 1.00 15.33 C ATOM 537 C ILE A 33 0.163 3.906 5.665 1.00 72.21 C ATOM 538 O ILE A 33 0.496 3.348 6.720 1.00 62.34 O ATOM 539 CB ILE A 33 1.587 2.596 3.986 1.00 32.02 C ATOM 540 CG1 ILE A 33 2.708 2.663 2.897 1.00 61.10 C ATOM 541 CG2 ILE A 33 0.337 1.840 3.449 1.00 64.32 C ATOM 542 CD1 ILE A 33 2.301 3.323 1.591 1.00 72.52 C ATOM 0 H ILE A 33 3.231 4.183 5.127 1.00 22.23 H new ATOM 0 HA ILE A 33 0.809 4.607 3.681 1.00 15.33 H new ATOM 0 HB ILE A 33 1.976 2.032 4.834 1.00 32.02 H new ATOM 0 HG12 ILE A 33 3.561 3.203 3.309 1.00 61.10 H new ATOM 0 HG13 ILE A 33 3.046 1.649 2.683 1.00 61.10 H new ATOM 0 HG21 ILE A 33 0.634 0.854 3.091 1.00 64.32 H new ATOM 0 HG22 ILE A 33 -0.394 1.730 4.250 1.00 64.32 H new ATOM 0 HG23 ILE A 33 -0.106 2.405 2.629 1.00 64.32 H new ATOM 0 HD11 ILE A 33 3.146 3.320 0.903 1.00 72.52 H new ATOM 0 HD12 ILE A 33 1.471 2.773 1.148 1.00 72.52 H new ATOM 0 HD13 ILE A 33 1.993 4.351 1.783 1.00 72.52 H new ATOM 554 N PRO A 34 -1.099 4.435 5.507 1.00 54.40 N ATOM 555 CA PRO A 34 -2.125 4.397 6.594 1.00 71.40 C ATOM 556 C PRO A 34 -2.545 2.959 6.999 1.00 52.22 C ATOM 557 O PRO A 34 -2.947 2.724 8.134 1.00 53.33 O ATOM 558 CB PRO A 34 -3.315 5.195 5.987 1.00 33.52 C ATOM 559 CG PRO A 34 -3.115 5.095 4.505 1.00 32.13 C ATOM 560 CD PRO A 34 -1.621 5.121 4.290 1.00 43.44 C ATOM 0 HA PRO A 34 -1.745 4.819 7.525 1.00 71.40 H new ATOM 0 HB2 PRO A 34 -4.273 4.770 6.288 1.00 33.52 H new ATOM 0 HB3 PRO A 34 -3.308 6.233 6.320 1.00 33.52 H new ATOM 0 HG2 PRO A 34 -3.551 4.176 4.113 1.00 32.13 H new ATOM 0 HG3 PRO A 34 -3.599 5.924 3.988 1.00 32.13 H new ATOM 0 HD2 PRO A 34 -1.335 4.598 3.377 1.00 43.44 H new ATOM 0 HD3 PRO A 34 -1.242 6.140 4.206 1.00 43.44 H new ATOM 568 N PHE A 35 -2.434 2.006 6.060 1.00 24.11 N ATOM 569 CA PHE A 35 -2.821 0.588 6.284 1.00 40.13 C ATOM 570 C PHE A 35 -1.580 -0.283 6.633 1.00 72.05 C ATOM 571 O PHE A 35 -0.464 0.047 6.209 1.00 51.05 O ATOM 572 CB PHE A 35 -3.502 0.021 5.010 1.00 45.51 C ATOM 573 CG PHE A 35 -4.577 0.928 4.420 1.00 62.41 C ATOM 574 CD1 PHE A 35 -5.804 1.099 5.063 1.00 32.35 C ATOM 575 CD2 PHE A 35 -4.351 1.625 3.236 1.00 64.52 C ATOM 576 CE1 PHE A 35 -6.770 1.935 4.535 1.00 62.41 C ATOM 577 CE2 PHE A 35 -5.313 2.459 2.711 1.00 10.12 C ATOM 578 CZ PHE A 35 -6.522 2.615 3.358 1.00 5.44 C ATOM 0 H PHE A 35 -2.075 2.188 5.123 1.00 24.11 H new ATOM 0 HA PHE A 35 -3.516 0.556 7.123 1.00 40.13 H new ATOM 0 HB2 PHE A 35 -2.739 -0.159 4.253 1.00 45.51 H new ATOM 0 HB3 PHE A 35 -3.948 -0.944 5.249 1.00 45.51 H new ATOM 0 HD1 PHE A 35 -6.001 0.572 5.985 1.00 32.35 H new ATOM 0 HD2 PHE A 35 -3.408 1.510 2.722 1.00 64.52 H new ATOM 0 HE1 PHE A 35 -7.716 2.056 5.041 1.00 62.41 H new ATOM 0 HE2 PHE A 35 -5.121 2.992 1.791 1.00 10.12 H new ATOM 0 HZ PHE A 35 -7.275 3.269 2.944 1.00 5.44 H new ATOM 588 N PRO A 36 -1.745 -1.403 7.420 1.00 45.00 N ATOM 589 CA PRO A 36 -0.701 -2.462 7.524 1.00 22.21 C ATOM 590 C PRO A 36 -0.358 -3.090 6.140 1.00 43.42 C ATOM 591 O PRO A 36 -1.208 -3.111 5.236 1.00 14.31 O ATOM 592 CB PRO A 36 -1.349 -3.519 8.469 1.00 22.55 C ATOM 593 CG PRO A 36 -2.369 -2.746 9.255 1.00 72.44 C ATOM 594 CD PRO A 36 -2.907 -1.695 8.302 1.00 43.21 C ATOM 0 HA PRO A 36 0.246 -2.070 7.896 1.00 22.21 H new ATOM 0 HB2 PRO A 36 -1.813 -4.326 7.902 1.00 22.55 H new ATOM 0 HB3 PRO A 36 -0.606 -3.975 9.123 1.00 22.55 H new ATOM 0 HG2 PRO A 36 -3.167 -3.398 9.610 1.00 72.44 H new ATOM 0 HG3 PRO A 36 -1.919 -2.285 10.134 1.00 72.44 H new ATOM 0 HD2 PRO A 36 -3.760 -2.067 7.734 1.00 43.21 H new ATOM 0 HD3 PRO A 36 -3.242 -0.804 8.833 1.00 43.21 H new ATOM 602 N VAL A 37 0.879 -3.621 5.994 1.00 12.23 N ATOM 603 CA VAL A 37 1.344 -4.307 4.751 1.00 3.14 C ATOM 604 C VAL A 37 0.402 -5.490 4.361 1.00 23.54 C ATOM 605 O VAL A 37 0.228 -5.794 3.173 1.00 30.43 O ATOM 606 CB VAL A 37 2.846 -4.785 4.914 1.00 4.35 C ATOM 607 CG1 VAL A 37 3.356 -5.603 3.701 1.00 22.32 C ATOM 608 CG2 VAL A 37 3.774 -3.570 5.174 1.00 21.11 C ATOM 0 H VAL A 37 1.586 -3.589 6.729 1.00 12.23 H new ATOM 0 HA VAL A 37 1.304 -3.589 3.932 1.00 3.14 H new ATOM 0 HB VAL A 37 2.870 -5.453 5.775 1.00 4.35 H new ATOM 0 HG11 VAL A 37 4.390 -5.902 3.872 1.00 22.32 H new ATOM 0 HG12 VAL A 37 2.738 -6.492 3.576 1.00 22.32 H new ATOM 0 HG13 VAL A 37 3.299 -4.992 2.800 1.00 22.32 H new ATOM 0 HG21 VAL A 37 4.802 -3.914 5.284 1.00 21.11 H new ATOM 0 HG22 VAL A 37 3.711 -2.878 4.334 1.00 21.11 H new ATOM 0 HG23 VAL A 37 3.462 -3.063 6.087 1.00 21.11 H new ATOM 618 N GLU A 38 -0.235 -6.098 5.387 1.00 14.12 N ATOM 619 CA GLU A 38 -1.323 -7.093 5.224 1.00 61.55 C ATOM 620 C GLU A 38 -2.431 -6.607 4.246 1.00 23.24 C ATOM 621 O GLU A 38 -2.785 -7.302 3.304 1.00 61.20 O ATOM 622 CB GLU A 38 -1.995 -7.372 6.599 1.00 0.52 C ATOM 623 CG GLU A 38 -1.078 -7.971 7.685 1.00 34.32 C ATOM 624 CD GLU A 38 -1.782 -8.117 9.052 1.00 71.31 C ATOM 625 OE1 GLU A 38 -2.673 -8.988 9.177 1.00 22.30 O ATOM 626 OE2 GLU A 38 -1.457 -7.354 9.996 1.00 52.55 O ATOM 0 H GLU A 38 -0.007 -5.910 6.363 1.00 14.12 H new ATOM 0 HA GLU A 38 -0.863 -7.993 4.815 1.00 61.55 H new ATOM 0 HB2 GLU A 38 -2.410 -6.437 6.976 1.00 0.52 H new ATOM 0 HB3 GLU A 38 -2.832 -8.052 6.442 1.00 0.52 H new ATOM 0 HG2 GLU A 38 -0.726 -8.949 7.357 1.00 34.32 H new ATOM 0 HG3 GLU A 38 -0.198 -7.338 7.801 1.00 34.32 H new ATOM 633 N LYS A 39 -2.946 -5.389 4.494 1.00 4.00 N ATOM 634 CA LYS A 39 -4.104 -4.826 3.760 1.00 71.23 C ATOM 635 C LYS A 39 -3.822 -4.562 2.259 1.00 70.14 C ATOM 636 O LYS A 39 -4.718 -4.706 1.439 1.00 25.55 O ATOM 637 CB LYS A 39 -4.591 -3.532 4.460 1.00 1.30 C ATOM 638 CG LYS A 39 -5.240 -3.756 5.847 1.00 2.13 C ATOM 639 CD LYS A 39 -6.525 -4.612 5.754 1.00 13.45 C ATOM 640 CE LYS A 39 -7.215 -4.825 7.111 1.00 75.22 C ATOM 641 NZ LYS A 39 -8.479 -5.601 6.965 1.00 52.34 N ATOM 0 H LYS A 39 -2.574 -4.764 5.209 1.00 4.00 H new ATOM 0 HA LYS A 39 -4.889 -5.582 3.786 1.00 71.23 H new ATOM 0 HB2 LYS A 39 -3.744 -2.856 4.575 1.00 1.30 H new ATOM 0 HB3 LYS A 39 -5.312 -3.033 3.812 1.00 1.30 H new ATOM 0 HG2 LYS A 39 -4.525 -4.247 6.507 1.00 2.13 H new ATOM 0 HG3 LYS A 39 -5.478 -2.792 6.296 1.00 2.13 H new ATOM 0 HD2 LYS A 39 -7.225 -4.131 5.070 1.00 13.45 H new ATOM 0 HD3 LYS A 39 -6.276 -5.583 5.325 1.00 13.45 H new ATOM 0 HE2 LYS A 39 -6.539 -5.351 7.785 1.00 75.22 H new ATOM 0 HE3 LYS A 39 -7.431 -3.858 7.566 1.00 75.22 H new ATOM 0 HZ1 LYS A 39 -8.919 -5.727 7.899 1.00 52.34 H new ATOM 0 HZ2 LYS A 39 -9.132 -5.086 6.341 1.00 52.34 H new ATOM 0 HZ3 LYS A 39 -8.269 -6.533 6.553 1.00 52.34 H new ATOM 655 N ILE A 40 -2.583 -4.192 1.905 1.00 71.02 N ATOM 656 CA ILE A 40 -2.196 -3.984 0.486 1.00 21.12 C ATOM 657 C ILE A 40 -2.098 -5.366 -0.245 1.00 3.10 C ATOM 658 O ILE A 40 -2.361 -5.480 -1.450 1.00 53.20 O ATOM 659 CB ILE A 40 -0.841 -3.154 0.341 1.00 2.23 C ATOM 660 CG1 ILE A 40 -0.969 -1.681 0.887 1.00 41.34 C ATOM 661 CG2 ILE A 40 -0.368 -3.097 -1.138 1.00 51.42 C ATOM 662 CD1 ILE A 40 -1.193 -1.515 2.382 1.00 11.35 C ATOM 0 H ILE A 40 -1.829 -4.029 2.572 1.00 71.02 H new ATOM 0 HA ILE A 40 -2.973 -3.385 0.011 1.00 21.12 H new ATOM 0 HB ILE A 40 -0.105 -3.684 0.946 1.00 2.23 H new ATOM 0 HG12 ILE A 40 -0.061 -1.140 0.619 1.00 41.34 H new ATOM 0 HG13 ILE A 40 -1.795 -1.197 0.365 1.00 41.34 H new ATOM 0 HG21 ILE A 40 0.557 -2.525 -1.202 1.00 51.42 H new ATOM 0 HG22 ILE A 40 -0.195 -4.109 -1.504 1.00 51.42 H new ATOM 0 HG23 ILE A 40 -1.134 -2.617 -1.747 1.00 51.42 H new ATOM 0 HD11 ILE A 40 -1.263 -0.454 2.624 1.00 11.35 H new ATOM 0 HD12 ILE A 40 -2.118 -2.015 2.669 1.00 11.35 H new ATOM 0 HD13 ILE A 40 -0.358 -1.957 2.926 1.00 11.35 H new ATOM 674 N ILE A 41 -1.747 -6.411 0.528 1.00 42.35 N ATOM 675 CA ILE A 41 -1.656 -7.816 0.048 1.00 54.33 C ATOM 676 C ILE A 41 -3.058 -8.510 -0.048 1.00 72.42 C ATOM 677 O ILE A 41 -3.313 -9.301 -0.972 1.00 43.21 O ATOM 678 CB ILE A 41 -0.688 -8.635 1.010 1.00 14.21 C ATOM 679 CG1 ILE A 41 0.792 -8.145 0.831 1.00 43.14 C ATOM 680 CG2 ILE A 41 -0.795 -10.174 0.820 1.00 41.01 C ATOM 681 CD1 ILE A 41 1.814 -8.793 1.760 1.00 41.21 C ATOM 0 H ILE A 41 -1.515 -6.309 1.516 1.00 42.35 H new ATOM 0 HA ILE A 41 -1.250 -7.801 -0.963 1.00 54.33 H new ATOM 0 HB ILE A 41 -1.011 -8.437 2.032 1.00 14.21 H new ATOM 0 HG12 ILE A 41 1.095 -8.329 -0.200 1.00 43.14 H new ATOM 0 HG13 ILE A 41 0.820 -7.066 0.984 1.00 43.14 H new ATOM 0 HG21 ILE A 41 -0.110 -10.674 1.505 1.00 41.01 H new ATOM 0 HG22 ILE A 41 -1.815 -10.496 1.028 1.00 41.01 H new ATOM 0 HG23 ILE A 41 -0.535 -10.433 -0.206 1.00 41.01 H new ATOM 0 HD11 ILE A 41 2.803 -8.385 1.554 1.00 41.21 H new ATOM 0 HD12 ILE A 41 1.545 -8.588 2.796 1.00 41.21 H new ATOM 0 HD13 ILE A 41 1.825 -9.870 1.594 1.00 41.21 H new ATOM 693 N ASN A 42 -3.961 -8.201 0.905 1.00 55.23 N ATOM 694 CA ASN A 42 -5.239 -8.954 1.103 1.00 63.33 C ATOM 695 C ASN A 42 -6.475 -8.261 0.472 1.00 71.23 C ATOM 696 O ASN A 42 -7.412 -8.950 0.035 1.00 12.30 O ATOM 697 CB ASN A 42 -5.475 -9.200 2.622 1.00 74.33 C ATOM 698 CG ASN A 42 -4.380 -10.063 3.274 1.00 1.43 C ATOM 699 OD1 ASN A 42 -3.793 -10.940 2.646 1.00 41.02 O ATOM 700 ND2 ASN A 42 -4.099 -9.826 4.544 1.00 51.43 N ATOM 0 H ASN A 42 -3.836 -7.429 1.560 1.00 55.23 H new ATOM 0 HA ASN A 42 -5.126 -9.903 0.580 1.00 63.33 H new ATOM 0 HB2 ASN A 42 -5.525 -8.240 3.135 1.00 74.33 H new ATOM 0 HB3 ASN A 42 -6.441 -9.686 2.759 1.00 74.33 H new ATOM 0 HD21 ASN A 42 -3.384 -10.376 5.019 1.00 51.43 H new ATOM 0 HD22 ASN A 42 -4.598 -9.093 5.048 1.00 51.43 H new ATOM 707 N LEU A 43 -6.507 -6.913 0.462 1.00 73.54 N ATOM 708 CA LEU A 43 -7.619 -6.147 -0.161 1.00 72.14 C ATOM 709 C LEU A 43 -7.526 -6.198 -1.710 1.00 3.22 C ATOM 710 O LEU A 43 -6.464 -5.890 -2.267 1.00 31.25 O ATOM 711 CB LEU A 43 -7.620 -4.664 0.314 1.00 4.11 C ATOM 712 CG LEU A 43 -8.061 -4.412 1.791 1.00 14.50 C ATOM 713 CD1 LEU A 43 -7.856 -2.927 2.195 1.00 63.22 C ATOM 714 CD2 LEU A 43 -9.533 -4.847 2.009 1.00 70.22 C ATOM 0 H LEU A 43 -5.780 -6.329 0.876 1.00 73.54 H new ATOM 0 HA LEU A 43 -8.552 -6.614 0.155 1.00 72.14 H new ATOM 0 HB2 LEU A 43 -6.615 -4.262 0.183 1.00 4.11 H new ATOM 0 HB3 LEU A 43 -8.279 -4.095 -0.342 1.00 4.11 H new ATOM 0 HG LEU A 43 -7.428 -5.021 2.436 1.00 14.50 H new ATOM 0 HD11 LEU A 43 -8.172 -2.784 3.228 1.00 63.22 H new ATOM 0 HD12 LEU A 43 -6.802 -2.666 2.099 1.00 63.22 H new ATOM 0 HD13 LEU A 43 -8.450 -2.287 1.542 1.00 63.22 H new ATOM 0 HD21 LEU A 43 -9.817 -4.662 3.045 1.00 70.22 H new ATOM 0 HD22 LEU A 43 -10.183 -4.276 1.347 1.00 70.22 H new ATOM 0 HD23 LEU A 43 -9.635 -5.910 1.789 1.00 70.22 H new ATOM 726 N PRO A 44 -8.633 -6.591 -2.428 1.00 31.32 N ATOM 727 CA PRO A 44 -8.663 -6.582 -3.911 1.00 21.42 C ATOM 728 C PRO A 44 -8.464 -5.158 -4.502 1.00 21.13 C ATOM 729 O PRO A 44 -8.965 -4.165 -3.953 1.00 22.03 O ATOM 730 CB PRO A 44 -10.057 -7.176 -4.257 1.00 12.13 C ATOM 731 CG PRO A 44 -10.878 -6.989 -3.017 1.00 40.30 C ATOM 732 CD PRO A 44 -9.914 -7.088 -1.857 1.00 23.42 C ATOM 0 HA PRO A 44 -7.846 -7.158 -4.344 1.00 21.42 H new ATOM 0 HB2 PRO A 44 -10.505 -6.662 -5.108 1.00 12.13 H new ATOM 0 HB3 PRO A 44 -9.981 -8.230 -4.525 1.00 12.13 H new ATOM 0 HG2 PRO A 44 -11.381 -6.022 -3.025 1.00 40.30 H new ATOM 0 HG3 PRO A 44 -11.654 -7.751 -2.945 1.00 40.30 H new ATOM 0 HD2 PRO A 44 -10.239 -6.481 -1.012 1.00 23.42 H new ATOM 0 HD3 PRO A 44 -9.822 -8.113 -1.497 1.00 23.42 H new ATOM 740 N VAL A 45 -7.736 -5.100 -5.633 1.00 54.14 N ATOM 741 CA VAL A 45 -7.271 -3.847 -6.280 1.00 70.34 C ATOM 742 C VAL A 45 -8.423 -2.855 -6.617 1.00 74.14 C ATOM 743 O VAL A 45 -8.225 -1.640 -6.558 1.00 31.24 O ATOM 744 CB VAL A 45 -6.410 -4.203 -7.563 1.00 52.41 C ATOM 745 CG1 VAL A 45 -6.031 -2.967 -8.417 1.00 11.23 C ATOM 746 CG2 VAL A 45 -5.137 -4.980 -7.141 1.00 74.55 C ATOM 0 H VAL A 45 -7.446 -5.938 -6.137 1.00 54.14 H new ATOM 0 HA VAL A 45 -6.647 -3.319 -5.558 1.00 70.34 H new ATOM 0 HB VAL A 45 -7.037 -4.828 -8.199 1.00 52.41 H new ATOM 0 HG11 VAL A 45 -5.443 -3.286 -9.278 1.00 11.23 H new ATOM 0 HG12 VAL A 45 -6.938 -2.471 -8.761 1.00 11.23 H new ATOM 0 HG13 VAL A 45 -5.445 -2.274 -7.814 1.00 11.23 H new ATOM 0 HG21 VAL A 45 -4.549 -5.222 -8.026 1.00 74.55 H new ATOM 0 HG22 VAL A 45 -4.542 -4.364 -6.467 1.00 74.55 H new ATOM 0 HG23 VAL A 45 -5.424 -5.901 -6.633 1.00 74.55 H new ATOM 756 N VAL A 46 -9.627 -3.376 -6.926 1.00 73.40 N ATOM 757 CA VAL A 46 -10.824 -2.528 -7.191 1.00 11.33 C ATOM 758 C VAL A 46 -11.237 -1.719 -5.925 1.00 21.34 C ATOM 759 O VAL A 46 -11.415 -0.491 -5.983 1.00 2.41 O ATOM 760 CB VAL A 46 -12.050 -3.387 -7.694 1.00 63.05 C ATOM 761 CG1 VAL A 46 -13.274 -2.494 -8.020 1.00 62.10 C ATOM 762 CG2 VAL A 46 -11.659 -4.256 -8.914 1.00 34.40 C ATOM 0 H VAL A 46 -9.804 -4.378 -7.000 1.00 73.40 H new ATOM 0 HA VAL A 46 -10.544 -1.830 -7.980 1.00 11.33 H new ATOM 0 HB VAL A 46 -12.336 -4.055 -6.881 1.00 63.05 H new ATOM 0 HG11 VAL A 46 -14.099 -3.118 -8.363 1.00 62.10 H new ATOM 0 HG12 VAL A 46 -13.578 -1.952 -7.125 1.00 62.10 H new ATOM 0 HG13 VAL A 46 -13.008 -1.783 -8.802 1.00 62.10 H new ATOM 0 HG21 VAL A 46 -12.522 -4.837 -9.239 1.00 34.40 H new ATOM 0 HG22 VAL A 46 -11.328 -3.612 -9.728 1.00 34.40 H new ATOM 0 HG23 VAL A 46 -10.851 -4.932 -8.635 1.00 34.40 H new ATOM 772 N ASP A 47 -11.346 -2.428 -4.784 1.00 20.04 N ATOM 773 CA ASP A 47 -11.705 -1.835 -3.473 1.00 11.44 C ATOM 774 C ASP A 47 -10.620 -0.855 -2.963 1.00 45.51 C ATOM 775 O ASP A 47 -10.935 0.177 -2.352 1.00 32.02 O ATOM 776 CB ASP A 47 -11.911 -2.967 -2.431 1.00 42.00 C ATOM 777 CG ASP A 47 -13.121 -3.865 -2.730 1.00 12.11 C ATOM 778 OD1 ASP A 47 -13.104 -4.577 -3.761 1.00 40.24 O ATOM 779 OD2 ASP A 47 -14.099 -3.855 -1.946 1.00 62.22 O ATOM 0 H ASP A 47 -11.187 -3.435 -4.742 1.00 20.04 H new ATOM 0 HA ASP A 47 -12.628 -1.270 -3.606 1.00 11.44 H new ATOM 0 HB2 ASP A 47 -11.012 -3.583 -2.394 1.00 42.00 H new ATOM 0 HB3 ASP A 47 -12.034 -2.522 -1.443 1.00 42.00 H new ATOM 784 N PHE A 48 -9.346 -1.210 -3.200 1.00 35.32 N ATOM 785 CA PHE A 48 -8.195 -0.429 -2.706 1.00 31.30 C ATOM 786 C PHE A 48 -8.021 0.896 -3.508 1.00 21.05 C ATOM 787 O PHE A 48 -7.790 1.965 -2.919 1.00 62.33 O ATOM 788 CB PHE A 48 -6.898 -1.291 -2.753 1.00 63.50 C ATOM 789 CG PHE A 48 -5.801 -0.760 -1.825 1.00 71.44 C ATOM 790 CD1 PHE A 48 -4.939 0.253 -2.234 1.00 2.22 C ATOM 791 CD2 PHE A 48 -5.677 -1.247 -0.522 1.00 24.23 C ATOM 792 CE1 PHE A 48 -3.997 0.770 -1.370 1.00 41.24 C ATOM 793 CE2 PHE A 48 -4.722 -0.737 0.338 1.00 24.13 C ATOM 794 CZ PHE A 48 -3.882 0.274 -0.090 1.00 24.42 C ATOM 0 H PHE A 48 -9.084 -2.039 -3.734 1.00 35.32 H new ATOM 0 HA PHE A 48 -8.389 -0.155 -1.669 1.00 31.30 H new ATOM 0 HB2 PHE A 48 -7.138 -2.317 -2.475 1.00 63.50 H new ATOM 0 HB3 PHE A 48 -6.522 -1.318 -3.776 1.00 63.50 H new ATOM 0 HD1 PHE A 48 -5.009 0.639 -3.240 1.00 2.22 H new ATOM 0 HD2 PHE A 48 -6.336 -2.032 -0.182 1.00 24.23 H new ATOM 0 HE1 PHE A 48 -3.347 1.567 -1.698 1.00 41.24 H new ATOM 0 HE2 PHE A 48 -4.633 -1.127 1.341 1.00 24.13 H new ATOM 0 HZ PHE A 48 -3.135 0.675 0.579 1.00 24.42 H new ATOM 804 N ASN A 49 -8.137 0.813 -4.852 1.00 1.53 N ATOM 805 CA ASN A 49 -8.070 1.998 -5.749 1.00 52.11 C ATOM 806 C ASN A 49 -9.264 2.956 -5.526 1.00 73.31 C ATOM 807 O ASN A 49 -9.149 4.144 -5.813 1.00 11.02 O ATOM 808 CB ASN A 49 -7.997 1.600 -7.248 1.00 24.33 C ATOM 809 CG ASN A 49 -6.700 0.889 -7.652 1.00 55.11 C ATOM 810 OD1 ASN A 49 -5.646 1.050 -7.036 1.00 11.23 O ATOM 811 ND2 ASN A 49 -6.766 0.116 -8.720 1.00 75.33 N ATOM 0 H ASN A 49 -8.279 -0.068 -5.347 1.00 1.53 H new ATOM 0 HA ASN A 49 -7.148 2.517 -5.487 1.00 52.11 H new ATOM 0 HB2 ASN A 49 -8.841 0.950 -7.480 1.00 24.33 H new ATOM 0 HB3 ASN A 49 -8.109 2.498 -7.856 1.00 24.33 H new ATOM 0 HD21 ASN A 49 -5.931 -0.365 -9.054 1.00 75.33 H new ATOM 0 HD22 ASN A 49 -7.652 0.000 -9.212 1.00 75.33 H new ATOM 818 N GLU A 50 -10.412 2.413 -5.067 1.00 63.45 N ATOM 819 CA GLU A 50 -11.596 3.220 -4.671 1.00 73.52 C ATOM 820 C GLU A 50 -11.269 4.181 -3.499 1.00 32.40 C ATOM 821 O GLU A 50 -11.624 5.364 -3.537 1.00 52.44 O ATOM 822 CB GLU A 50 -12.772 2.286 -4.283 1.00 12.11 C ATOM 823 CG GLU A 50 -14.012 3.006 -3.702 1.00 42.11 C ATOM 824 CD GLU A 50 -15.185 2.062 -3.413 1.00 62.21 C ATOM 825 OE1 GLU A 50 -15.164 1.374 -2.367 1.00 42.54 O ATOM 826 OE2 GLU A 50 -16.127 1.994 -4.233 1.00 40.14 O ATOM 0 H GLU A 50 -10.548 1.408 -4.959 1.00 63.45 H new ATOM 0 HA GLU A 50 -11.885 3.829 -5.528 1.00 73.52 H new ATOM 0 HB2 GLU A 50 -13.077 1.724 -5.166 1.00 12.11 H new ATOM 0 HB3 GLU A 50 -12.415 1.561 -3.551 1.00 12.11 H new ATOM 0 HG2 GLU A 50 -13.729 3.514 -2.780 1.00 42.11 H new ATOM 0 HG3 GLU A 50 -14.338 3.775 -4.403 1.00 42.11 H new ATOM 833 N MET A 51 -10.588 3.646 -2.465 1.00 63.15 N ATOM 834 CA MET A 51 -10.091 4.443 -1.314 1.00 63.34 C ATOM 835 C MET A 51 -9.177 5.609 -1.785 1.00 73.12 C ATOM 836 O MET A 51 -9.318 6.753 -1.339 1.00 31.11 O ATOM 837 CB MET A 51 -9.324 3.507 -0.343 1.00 20.24 C ATOM 838 CG MET A 51 -8.665 4.204 0.855 1.00 53.30 C ATOM 839 SD MET A 51 -9.844 5.079 1.905 1.00 73.51 S ATOM 840 CE MET A 51 -8.749 5.802 3.133 1.00 21.01 C ATOM 0 H MET A 51 -10.365 2.653 -2.400 1.00 63.15 H new ATOM 0 HA MET A 51 -10.943 4.887 -0.799 1.00 63.34 H new ATOM 0 HB2 MET A 51 -10.016 2.753 0.032 1.00 20.24 H new ATOM 0 HB3 MET A 51 -8.553 2.980 -0.905 1.00 20.24 H new ATOM 0 HG2 MET A 51 -8.136 3.462 1.453 1.00 53.30 H new ATOM 0 HG3 MET A 51 -7.919 4.910 0.491 1.00 53.30 H new ATOM 0 HE1 MET A 51 -9.321 6.460 3.788 1.00 21.01 H new ATOM 0 HE2 MET A 51 -8.291 5.009 3.724 1.00 21.01 H new ATOM 0 HE3 MET A 51 -7.970 6.377 2.632 1.00 21.01 H new ATOM 850 N MET A 52 -8.262 5.284 -2.719 1.00 70.03 N ATOM 851 CA MET A 52 -7.388 6.272 -3.391 1.00 2.14 C ATOM 852 C MET A 52 -8.207 7.268 -4.266 1.00 42.31 C ATOM 853 O MET A 52 -7.898 8.452 -4.311 1.00 10.15 O ATOM 854 CB MET A 52 -6.330 5.531 -4.259 1.00 71.00 C ATOM 855 CG MET A 52 -5.425 6.448 -5.102 1.00 21.44 C ATOM 856 SD MET A 52 -4.342 5.526 -6.210 1.00 31.04 S ATOM 857 CE MET A 52 -3.684 6.838 -7.248 1.00 1.13 C ATOM 0 H MET A 52 -8.106 4.326 -3.031 1.00 70.03 H new ATOM 0 HA MET A 52 -6.883 6.856 -2.621 1.00 2.14 H new ATOM 0 HB2 MET A 52 -5.702 4.928 -3.604 1.00 71.00 H new ATOM 0 HB3 MET A 52 -6.847 4.842 -4.927 1.00 71.00 H new ATOM 0 HG2 MET A 52 -6.046 7.126 -5.688 1.00 21.44 H new ATOM 0 HG3 MET A 52 -4.819 7.064 -4.438 1.00 21.44 H new ATOM 0 HE1 MET A 52 -2.920 6.430 -7.909 1.00 1.13 H new ATOM 0 HE2 MET A 52 -4.488 7.268 -7.845 1.00 1.13 H new ATOM 0 HE3 MET A 52 -3.244 7.613 -6.620 1.00 1.13 H new ATOM 867 N SER A 53 -9.267 6.777 -4.938 1.00 23.11 N ATOM 868 CA SER A 53 -10.114 7.607 -5.845 1.00 2.53 C ATOM 869 C SER A 53 -10.911 8.677 -5.063 1.00 32.52 C ATOM 870 O SER A 53 -11.337 9.690 -5.632 1.00 31.23 O ATOM 871 CB SER A 53 -11.075 6.713 -6.668 1.00 42.23 C ATOM 872 OG SER A 53 -11.910 7.474 -7.538 1.00 70.01 O ATOM 0 H SER A 53 -9.566 5.804 -4.875 1.00 23.11 H new ATOM 0 HA SER A 53 -9.445 8.127 -6.530 1.00 2.53 H new ATOM 0 HB2 SER A 53 -10.493 6.003 -7.256 1.00 42.23 H new ATOM 0 HB3 SER A 53 -11.697 6.130 -5.989 1.00 42.23 H new ATOM 0 HG SER A 53 -12.498 6.870 -8.038 1.00 70.01 H new ATOM 878 N LYS A 54 -11.114 8.428 -3.757 1.00 33.42 N ATOM 879 CA LYS A 54 -11.682 9.416 -2.814 1.00 3.31 C ATOM 880 C LYS A 54 -10.577 10.391 -2.332 1.00 12.01 C ATOM 881 O LYS A 54 -10.720 11.617 -2.430 1.00 24.43 O ATOM 882 CB LYS A 54 -12.315 8.680 -1.602 1.00 43.24 C ATOM 883 CG LYS A 54 -13.459 7.705 -1.974 1.00 62.20 C ATOM 884 CD LYS A 54 -14.015 6.938 -0.747 1.00 60.14 C ATOM 885 CE LYS A 54 -14.582 7.877 0.334 1.00 40.43 C ATOM 886 NZ LYS A 54 -15.095 7.139 1.519 1.00 44.11 N ATOM 0 H LYS A 54 -10.889 7.534 -3.322 1.00 33.42 H new ATOM 0 HA LYS A 54 -12.455 9.992 -3.323 1.00 3.31 H new ATOM 0 HB2 LYS A 54 -11.535 8.124 -1.082 1.00 43.24 H new ATOM 0 HB3 LYS A 54 -12.699 9.422 -0.902 1.00 43.24 H new ATOM 0 HG2 LYS A 54 -14.268 8.263 -2.445 1.00 62.20 H new ATOM 0 HG3 LYS A 54 -13.095 6.989 -2.711 1.00 62.20 H new ATOM 0 HD2 LYS A 54 -14.798 6.254 -1.075 1.00 60.14 H new ATOM 0 HD3 LYS A 54 -13.221 6.329 -0.314 1.00 60.14 H new ATOM 0 HE2 LYS A 54 -13.804 8.571 0.652 1.00 40.43 H new ATOM 0 HE3 LYS A 54 -15.387 8.474 -0.094 1.00 40.43 H new ATOM 0 HZ1 LYS A 54 -15.465 7.816 2.216 1.00 44.11 H new ATOM 0 HZ2 LYS A 54 -15.856 6.495 1.224 1.00 44.11 H new ATOM 0 HZ3 LYS A 54 -14.323 6.589 1.947 1.00 44.11 H new ATOM 900 N GLU A 55 -9.461 9.814 -1.839 1.00 34.14 N ATOM 901 CA GLU A 55 -8.306 10.575 -1.300 1.00 1.03 C ATOM 902 C GLU A 55 -6.958 9.928 -1.744 1.00 52.24 C ATOM 903 O GLU A 55 -6.537 8.882 -1.227 1.00 42.00 O ATOM 904 CB GLU A 55 -8.406 10.693 0.253 1.00 40.33 C ATOM 905 CG GLU A 55 -8.699 9.366 0.992 1.00 31.30 C ATOM 906 CD GLU A 55 -8.618 9.488 2.522 1.00 63.42 C ATOM 907 OE1 GLU A 55 -9.591 9.965 3.149 1.00 14.54 O ATOM 908 OE2 GLU A 55 -7.576 9.114 3.107 1.00 61.51 O ATOM 0 H GLU A 55 -9.332 8.803 -1.802 1.00 34.14 H new ATOM 0 HA GLU A 55 -8.332 11.584 -1.711 1.00 1.03 H new ATOM 0 HB2 GLU A 55 -7.470 11.104 0.632 1.00 40.33 H new ATOM 0 HB3 GLU A 55 -9.191 11.409 0.498 1.00 40.33 H new ATOM 0 HG2 GLU A 55 -9.694 9.017 0.715 1.00 31.30 H new ATOM 0 HG3 GLU A 55 -7.990 8.608 0.657 1.00 31.30 H new ATOM 915 N GLN A 56 -6.311 10.550 -2.751 1.00 2.40 N ATOM 916 CA GLN A 56 -5.020 10.083 -3.306 1.00 10.55 C ATOM 917 C GLN A 56 -3.850 10.387 -2.338 1.00 23.25 C ATOM 918 O GLN A 56 -3.690 11.522 -1.877 1.00 71.42 O ATOM 919 CB GLN A 56 -4.781 10.735 -4.697 1.00 73.34 C ATOM 920 CG GLN A 56 -5.839 10.338 -5.749 1.00 60.22 C ATOM 921 CD GLN A 56 -5.730 11.105 -7.069 1.00 21.23 C ATOM 922 OE1 GLN A 56 -5.038 10.690 -7.996 1.00 43.40 O ATOM 923 NE2 GLN A 56 -6.423 12.224 -7.164 1.00 44.31 N ATOM 0 H GLN A 56 -6.668 11.391 -3.204 1.00 2.40 H new ATOM 0 HA GLN A 56 -5.063 9.001 -3.428 1.00 10.55 H new ATOM 0 HB2 GLN A 56 -4.778 11.819 -4.586 1.00 73.34 H new ATOM 0 HB3 GLN A 56 -3.794 10.449 -5.059 1.00 73.34 H new ATOM 0 HG2 GLN A 56 -5.749 9.271 -5.953 1.00 60.22 H new ATOM 0 HG3 GLN A 56 -6.832 10.500 -5.329 1.00 60.22 H new ATOM 0 HE21 GLN A 56 -6.988 12.542 -6.377 1.00 44.31 H new ATOM 0 HE22 GLN A 56 -6.393 12.771 -8.025 1.00 44.31 H new ATOM 932 N PHE A 57 -3.040 9.354 -2.056 1.00 51.32 N ATOM 933 CA PHE A 57 -1.910 9.432 -1.100 1.00 44.02 C ATOM 934 C PHE A 57 -0.684 10.159 -1.732 1.00 62.52 C ATOM 935 O PHE A 57 -0.763 10.659 -2.860 1.00 45.30 O ATOM 936 CB PHE A 57 -1.542 7.993 -0.637 1.00 32.11 C ATOM 937 CG PHE A 57 -2.747 7.176 -0.137 1.00 15.12 C ATOM 938 CD1 PHE A 57 -3.338 7.450 1.095 1.00 14.14 C ATOM 939 CD2 PHE A 57 -3.296 6.146 -0.911 1.00 0.43 C ATOM 940 CE1 PHE A 57 -4.430 6.724 1.540 1.00 0.34 C ATOM 941 CE2 PHE A 57 -4.388 5.420 -0.463 1.00 61.14 C ATOM 942 CZ PHE A 57 -4.956 5.711 0.762 1.00 64.15 C ATOM 0 H PHE A 57 -3.146 8.434 -2.484 1.00 51.32 H new ATOM 0 HA PHE A 57 -2.210 10.021 -0.233 1.00 44.02 H new ATOM 0 HB2 PHE A 57 -1.074 7.463 -1.466 1.00 32.11 H new ATOM 0 HB3 PHE A 57 -0.801 8.056 0.160 1.00 32.11 H new ATOM 0 HD1 PHE A 57 -2.938 8.241 1.712 1.00 14.14 H new ATOM 0 HD2 PHE A 57 -2.861 5.914 -1.872 1.00 0.43 H new ATOM 0 HE1 PHE A 57 -4.872 6.951 2.499 1.00 0.34 H new ATOM 0 HE2 PHE A 57 -4.795 4.626 -1.072 1.00 61.14 H new ATOM 0 HZ PHE A 57 -5.809 5.148 1.111 1.00 64.15 H new ATOM 952 N ASN A 58 0.444 10.218 -0.997 1.00 32.41 N ATOM 953 CA ASN A 58 1.695 10.854 -1.495 1.00 41.22 C ATOM 954 C ASN A 58 2.340 10.010 -2.628 1.00 41.21 C ATOM 955 O ASN A 58 2.092 8.806 -2.712 1.00 14.35 O ATOM 956 CB ASN A 58 2.701 11.051 -0.330 1.00 34.41 C ATOM 957 CG ASN A 58 2.189 11.984 0.776 1.00 75.15 C ATOM 958 OD1 ASN A 58 0.995 12.047 1.062 1.00 2.42 O ATOM 959 ND2 ASN A 58 3.088 12.713 1.413 1.00 14.10 N ATOM 0 H ASN A 58 0.521 9.835 -0.055 1.00 32.41 H new ATOM 0 HA ASN A 58 1.436 11.830 -1.906 1.00 41.22 H new ATOM 0 HB2 ASN A 58 2.934 10.079 0.105 1.00 34.41 H new ATOM 0 HB3 ASN A 58 3.632 11.453 -0.730 1.00 34.41 H new ATOM 0 HD21 ASN A 58 2.797 13.344 2.159 1.00 14.10 H new ATOM 0 HD22 ASN A 58 4.073 12.644 1.159 1.00 14.10 H new ATOM 966 N GLU A 59 3.179 10.649 -3.478 1.00 73.34 N ATOM 967 CA GLU A 59 3.777 10.002 -4.686 1.00 13.30 C ATOM 968 C GLU A 59 4.582 8.716 -4.353 1.00 2.31 C ATOM 969 O GLU A 59 4.531 7.727 -5.095 1.00 32.41 O ATOM 970 CB GLU A 59 4.671 11.017 -5.466 1.00 21.23 C ATOM 971 CG GLU A 59 5.917 11.530 -4.701 1.00 34.12 C ATOM 972 CD GLU A 59 6.752 12.541 -5.506 1.00 12.02 C ATOM 973 OE1 GLU A 59 6.415 13.746 -5.502 1.00 3.12 O ATOM 974 OE2 GLU A 59 7.744 12.133 -6.158 1.00 55.11 O ATOM 0 H GLU A 59 3.463 11.621 -3.353 1.00 73.34 H new ATOM 0 HA GLU A 59 2.943 9.694 -5.317 1.00 13.30 H new ATOM 0 HB2 GLU A 59 5.002 10.547 -6.392 1.00 21.23 H new ATOM 0 HB3 GLU A 59 4.059 11.874 -5.745 1.00 21.23 H new ATOM 0 HG2 GLU A 59 5.596 11.995 -3.769 1.00 34.12 H new ATOM 0 HG3 GLU A 59 6.546 10.681 -4.434 1.00 34.12 H new ATOM 981 N ALA A 60 5.299 8.743 -3.218 1.00 14.53 N ATOM 982 CA ALA A 60 6.102 7.603 -2.738 1.00 41.02 C ATOM 983 C ALA A 60 5.214 6.472 -2.172 1.00 44.33 C ATOM 984 O ALA A 60 5.502 5.286 -2.377 1.00 62.02 O ATOM 985 CB ALA A 60 7.106 8.088 -1.685 1.00 11.20 C ATOM 0 H ALA A 60 5.339 9.557 -2.605 1.00 14.53 H new ATOM 0 HA ALA A 60 6.644 7.186 -3.587 1.00 41.02 H new ATOM 0 HB1 ALA A 60 7.699 7.244 -1.331 1.00 11.20 H new ATOM 0 HB2 ALA A 60 7.766 8.834 -2.128 1.00 11.20 H new ATOM 0 HB3 ALA A 60 6.568 8.531 -0.846 1.00 11.20 H new ATOM 991 N GLN A 61 4.136 6.865 -1.459 1.00 13.11 N ATOM 992 CA GLN A 61 3.145 5.922 -0.890 1.00 1.30 C ATOM 993 C GLN A 61 2.430 5.117 -2.004 1.00 25.44 C ATOM 994 O GLN A 61 2.369 3.885 -1.948 1.00 72.15 O ATOM 995 CB GLN A 61 2.095 6.691 -0.036 1.00 52.41 C ATOM 996 CG GLN A 61 2.671 7.394 1.214 1.00 15.33 C ATOM 997 CD GLN A 61 1.620 8.152 2.040 1.00 34.20 C ATOM 998 OE1 GLN A 61 0.447 7.790 2.076 1.00 52.33 O ATOM 999 NE2 GLN A 61 2.035 9.195 2.734 1.00 15.21 N ATOM 0 H GLN A 61 3.927 7.844 -1.261 1.00 13.11 H new ATOM 0 HA GLN A 61 3.682 5.220 -0.253 1.00 1.30 H new ATOM 0 HB2 GLN A 61 1.611 7.438 -0.666 1.00 52.41 H new ATOM 0 HB3 GLN A 61 1.322 5.991 0.281 1.00 52.41 H new ATOM 0 HG2 GLN A 61 3.151 6.649 1.849 1.00 15.33 H new ATOM 0 HG3 GLN A 61 3.447 8.093 0.901 1.00 15.33 H new ATOM 0 HE21 GLN A 61 3.013 9.480 2.691 1.00 15.21 H new ATOM 0 HE22 GLN A 61 1.377 9.716 3.314 1.00 15.21 H new ATOM 1008 N LEU A 62 1.925 5.844 -3.018 1.00 2.02 N ATOM 1009 CA LEU A 62 1.229 5.261 -4.187 1.00 65.03 C ATOM 1010 C LEU A 62 2.119 4.250 -4.944 1.00 32.33 C ATOM 1011 O LEU A 62 1.673 3.141 -5.254 1.00 20.21 O ATOM 1012 CB LEU A 62 0.771 6.395 -5.141 1.00 53.24 C ATOM 1013 CG LEU A 62 -0.304 7.366 -4.563 1.00 41.11 C ATOM 1014 CD1 LEU A 62 -0.600 8.536 -5.533 1.00 60.40 C ATOM 1015 CD2 LEU A 62 -1.596 6.602 -4.194 1.00 73.44 C ATOM 0 H LEU A 62 1.988 6.862 -3.052 1.00 2.02 H new ATOM 0 HA LEU A 62 0.359 4.716 -3.822 1.00 65.03 H new ATOM 0 HB2 LEU A 62 1.645 6.979 -5.429 1.00 53.24 H new ATOM 0 HB3 LEU A 62 0.376 5.943 -6.051 1.00 53.24 H new ATOM 0 HG LEU A 62 0.103 7.801 -3.650 1.00 41.11 H new ATOM 0 HD11 LEU A 62 -1.354 9.190 -5.095 1.00 60.40 H new ATOM 0 HD12 LEU A 62 0.314 9.103 -5.709 1.00 60.40 H new ATOM 0 HD13 LEU A 62 -0.969 8.140 -6.479 1.00 60.40 H new ATOM 0 HD21 LEU A 62 -2.330 7.301 -3.793 1.00 73.44 H new ATOM 0 HD22 LEU A 62 -2.001 6.121 -5.084 1.00 73.44 H new ATOM 0 HD23 LEU A 62 -1.369 5.844 -3.444 1.00 73.44 H new ATOM 1027 N ALA A 63 3.379 4.650 -5.206 1.00 51.03 N ATOM 1028 CA ALA A 63 4.386 3.790 -5.867 1.00 42.14 C ATOM 1029 C ALA A 63 4.598 2.454 -5.105 1.00 43.02 C ATOM 1030 O ALA A 63 4.546 1.369 -5.706 1.00 41.32 O ATOM 1031 CB ALA A 63 5.713 4.555 -6.007 1.00 20.13 C ATOM 0 H ALA A 63 3.729 5.578 -4.966 1.00 51.03 H new ATOM 0 HA ALA A 63 4.012 3.535 -6.859 1.00 42.14 H new ATOM 0 HB1 ALA A 63 6.451 3.918 -6.494 1.00 20.13 H new ATOM 0 HB2 ALA A 63 5.555 5.451 -6.607 1.00 20.13 H new ATOM 0 HB3 ALA A 63 6.075 4.839 -5.019 1.00 20.13 H new ATOM 1037 N LEU A 64 4.799 2.558 -3.773 1.00 13.23 N ATOM 1038 CA LEU A 64 4.985 1.386 -2.886 1.00 24.52 C ATOM 1039 C LEU A 64 3.780 0.401 -2.920 1.00 70.54 C ATOM 1040 O LEU A 64 3.973 -0.822 -2.952 1.00 51.02 O ATOM 1041 CB LEU A 64 5.243 1.855 -1.431 1.00 3.44 C ATOM 1042 CG LEU A 64 5.489 0.711 -0.402 1.00 53.34 C ATOM 1043 CD1 LEU A 64 6.655 -0.196 -0.844 1.00 63.14 C ATOM 1044 CD2 LEU A 64 5.723 1.263 1.018 1.00 20.44 C ATOM 0 H LEU A 64 4.837 3.452 -3.283 1.00 13.23 H new ATOM 0 HA LEU A 64 5.851 0.841 -3.262 1.00 24.52 H new ATOM 0 HB2 LEU A 64 6.108 2.518 -1.427 1.00 3.44 H new ATOM 0 HB3 LEU A 64 4.388 2.444 -1.099 1.00 3.44 H new ATOM 0 HG LEU A 64 4.585 0.103 -0.371 1.00 53.34 H new ATOM 0 HD11 LEU A 64 6.802 -0.985 -0.106 1.00 63.14 H new ATOM 0 HD12 LEU A 64 6.422 -0.643 -1.811 1.00 63.14 H new ATOM 0 HD13 LEU A 64 7.566 0.397 -0.928 1.00 63.14 H new ATOM 0 HD21 LEU A 64 5.891 0.435 1.707 1.00 20.44 H new ATOM 0 HD22 LEU A 64 6.596 1.916 1.015 1.00 20.44 H new ATOM 0 HD23 LEU A 64 4.848 1.829 1.337 1.00 20.44 H new ATOM 1056 N ILE A 65 2.551 0.958 -2.913 1.00 75.32 N ATOM 1057 CA ILE A 65 1.287 0.174 -2.988 1.00 41.24 C ATOM 1058 C ILE A 65 1.285 -0.801 -4.201 1.00 73.21 C ATOM 1059 O ILE A 65 0.932 -1.978 -4.063 1.00 22.21 O ATOM 1060 CB ILE A 65 0.045 1.151 -3.066 1.00 40.12 C ATOM 1061 CG1 ILE A 65 -0.144 1.908 -1.705 1.00 30.33 C ATOM 1062 CG2 ILE A 65 -1.260 0.416 -3.495 1.00 22.32 C ATOM 1063 CD1 ILE A 65 -1.123 3.076 -1.742 1.00 54.32 C ATOM 0 H ILE A 65 2.400 1.965 -2.855 1.00 75.32 H new ATOM 0 HA ILE A 65 1.214 -0.428 -2.082 1.00 41.24 H new ATOM 0 HB ILE A 65 0.255 1.886 -3.843 1.00 40.12 H new ATOM 0 HG12 ILE A 65 -0.483 1.194 -0.955 1.00 30.33 H new ATOM 0 HG13 ILE A 65 0.827 2.279 -1.376 1.00 30.33 H new ATOM 0 HG21 ILE A 65 -2.083 1.129 -3.534 1.00 22.32 H new ATOM 0 HG22 ILE A 65 -1.120 -0.030 -4.480 1.00 22.32 H new ATOM 0 HG23 ILE A 65 -1.491 -0.366 -2.772 1.00 22.32 H new ATOM 0 HD11 ILE A 65 -1.183 3.532 -0.754 1.00 54.32 H new ATOM 0 HD12 ILE A 65 -0.778 3.817 -2.463 1.00 54.32 H new ATOM 0 HD13 ILE A 65 -2.109 2.715 -2.035 1.00 54.32 H new ATOM 1075 N ARG A 66 1.727 -0.297 -5.368 1.00 70.32 N ATOM 1076 CA ARG A 66 1.773 -1.081 -6.627 1.00 1.22 C ATOM 1077 C ARG A 66 2.812 -2.233 -6.560 1.00 34.14 C ATOM 1078 O ARG A 66 2.624 -3.269 -7.191 1.00 14.43 O ATOM 1079 CB ARG A 66 2.038 -0.144 -7.854 1.00 72.24 C ATOM 1080 CG ARG A 66 0.790 0.609 -8.398 1.00 32.34 C ATOM 1081 CD ARG A 66 0.114 1.523 -7.361 1.00 12.34 C ATOM 1082 NE ARG A 66 -1.109 2.163 -7.873 1.00 4.43 N ATOM 1083 CZ ARG A 66 -1.956 2.880 -7.160 1.00 53.31 C ATOM 1084 NH1 ARG A 66 -1.725 3.174 -5.913 1.00 34.42 N ATOM 1085 NH2 ARG A 66 -3.025 3.333 -7.721 1.00 25.33 N ATOM 0 H ARG A 66 2.062 0.661 -5.470 1.00 70.32 H new ATOM 0 HA ARG A 66 0.796 -1.546 -6.758 1.00 1.22 H new ATOM 0 HB2 ARG A 66 2.791 0.592 -7.572 1.00 72.24 H new ATOM 0 HB3 ARG A 66 2.462 -0.741 -8.661 1.00 72.24 H new ATOM 0 HG2 ARG A 66 1.086 1.209 -9.259 1.00 32.34 H new ATOM 0 HG3 ARG A 66 0.063 -0.121 -8.753 1.00 32.34 H new ATOM 0 HD2 ARG A 66 -0.132 0.939 -6.474 1.00 12.34 H new ATOM 0 HD3 ARG A 66 0.819 2.294 -7.050 1.00 12.34 H new ATOM 0 HE ARG A 66 -1.319 2.042 -8.864 1.00 4.43 H new ATOM 0 HH11 ARG A 66 -0.870 2.848 -5.462 1.00 34.42 H new ATOM 0 HH12 ARG A 66 -2.399 3.730 -5.387 1.00 34.42 H new ATOM 0 HH21 ARG A 66 -3.207 3.136 -8.705 1.00 25.33 H new ATOM 0 HH22 ARG A 66 -3.688 3.889 -7.181 1.00 25.33 H new ATOM 1099 N ASP A 67 3.894 -2.046 -5.782 1.00 62.04 N ATOM 1100 CA ASP A 67 4.942 -3.078 -5.601 1.00 71.14 C ATOM 1101 C ASP A 67 4.467 -4.224 -4.657 1.00 42.21 C ATOM 1102 O ASP A 67 4.582 -5.408 -5.001 1.00 42.43 O ATOM 1103 CB ASP A 67 6.243 -2.421 -5.063 1.00 65.42 C ATOM 1104 CG ASP A 67 7.445 -3.390 -5.044 1.00 14.41 C ATOM 1105 OD1 ASP A 67 7.963 -3.723 -6.137 1.00 65.11 O ATOM 1106 OD2 ASP A 67 7.870 -3.827 -3.953 1.00 74.43 O ATOM 0 H ASP A 67 4.069 -1.185 -5.264 1.00 62.04 H new ATOM 0 HA ASP A 67 5.146 -3.528 -6.573 1.00 71.14 H new ATOM 0 HB2 ASP A 67 6.489 -1.557 -5.680 1.00 65.42 H new ATOM 0 HB3 ASP A 67 6.066 -2.051 -4.053 1.00 65.42 H new ATOM 1111 N ILE A 68 3.920 -3.853 -3.481 1.00 2.22 N ATOM 1112 CA ILE A 68 3.486 -4.826 -2.441 1.00 2.35 C ATOM 1113 C ILE A 68 2.252 -5.671 -2.893 1.00 13.41 C ATOM 1114 O ILE A 68 2.158 -6.860 -2.560 1.00 12.51 O ATOM 1115 CB ILE A 68 3.172 -4.104 -1.068 1.00 63.44 C ATOM 1116 CG1 ILE A 68 4.418 -3.307 -0.554 1.00 3.24 C ATOM 1117 CG2 ILE A 68 2.677 -5.099 0.017 1.00 62.44 C ATOM 1118 CD1 ILE A 68 4.227 -2.611 0.793 1.00 53.23 C ATOM 0 H ILE A 68 3.765 -2.879 -3.221 1.00 2.22 H new ATOM 0 HA ILE A 68 4.323 -5.509 -2.296 1.00 2.35 H new ATOM 0 HB ILE A 68 2.363 -3.399 -1.259 1.00 63.44 H new ATOM 0 HG12 ILE A 68 5.262 -3.992 -0.476 1.00 3.24 H new ATOM 0 HG13 ILE A 68 4.684 -2.557 -1.299 1.00 3.24 H new ATOM 0 HG21 ILE A 68 2.474 -4.558 0.941 1.00 62.44 H new ATOM 0 HG22 ILE A 68 1.764 -5.587 -0.326 1.00 62.44 H new ATOM 0 HG23 ILE A 68 3.445 -5.852 0.198 1.00 62.44 H new ATOM 0 HD11 ILE A 68 5.143 -2.086 1.064 1.00 53.23 H new ATOM 0 HD12 ILE A 68 3.407 -1.896 0.720 1.00 53.23 H new ATOM 0 HD13 ILE A 68 3.994 -3.353 1.556 1.00 53.23 H new ATOM 1130 N ARG A 69 1.312 -5.066 -3.655 1.00 12.44 N ATOM 1131 CA ARG A 69 0.118 -5.797 -4.174 1.00 54.51 C ATOM 1132 C ARG A 69 0.509 -6.812 -5.288 1.00 14.32 C ATOM 1133 O ARG A 69 -0.193 -7.804 -5.500 1.00 15.52 O ATOM 1134 CB ARG A 69 -1.007 -4.828 -4.639 1.00 45.20 C ATOM 1135 CG ARG A 69 -0.724 -4.035 -5.931 1.00 54.20 C ATOM 1136 CD ARG A 69 -1.841 -3.016 -6.249 1.00 40.52 C ATOM 1137 NE ARG A 69 -1.627 -2.356 -7.543 1.00 52.23 N ATOM 1138 CZ ARG A 69 -2.382 -1.413 -8.065 1.00 63.30 C ATOM 1139 NH1 ARG A 69 -3.386 -0.891 -7.419 1.00 34.31 N ATOM 1140 NH2 ARG A 69 -2.108 -0.981 -9.248 1.00 52.41 N ATOM 0 H ARG A 69 1.350 -4.083 -3.926 1.00 12.44 H new ATOM 0 HA ARG A 69 -0.291 -6.371 -3.343 1.00 54.51 H new ATOM 0 HB2 ARG A 69 -1.920 -5.406 -4.783 1.00 45.20 H new ATOM 0 HB3 ARG A 69 -1.203 -4.118 -3.836 1.00 45.20 H new ATOM 0 HG2 ARG A 69 0.226 -3.510 -5.832 1.00 54.20 H new ATOM 0 HG3 ARG A 69 -0.620 -4.729 -6.765 1.00 54.20 H new ATOM 0 HD2 ARG A 69 -2.805 -3.524 -6.256 1.00 40.52 H new ATOM 0 HD3 ARG A 69 -1.882 -2.265 -5.460 1.00 40.52 H new ATOM 0 HE ARG A 69 -0.818 -2.656 -8.088 1.00 52.23 H new ATOM 0 HH11 ARG A 69 -3.608 -1.212 -6.477 1.00 34.31 H new ATOM 0 HH12 ARG A 69 -3.950 -0.161 -7.856 1.00 34.31 H new ATOM 0 HH21 ARG A 69 -1.318 -1.370 -9.763 1.00 52.41 H new ATOM 0 HH22 ARG A 69 -2.682 -0.250 -9.670 1.00 52.41 H new ATOM 1154 N ARG A 70 1.624 -6.545 -6.011 1.00 5.40 N ATOM 1155 CA ARG A 70 2.245 -7.548 -6.926 1.00 64.51 C ATOM 1156 C ARG A 70 2.836 -8.754 -6.140 1.00 44.22 C ATOM 1157 O ARG A 70 2.944 -9.863 -6.676 1.00 62.31 O ATOM 1158 CB ARG A 70 3.344 -6.893 -7.809 1.00 75.02 C ATOM 1159 CG ARG A 70 2.803 -5.948 -8.906 1.00 10.53 C ATOM 1160 CD ARG A 70 3.928 -5.256 -9.699 1.00 14.21 C ATOM 1161 NE ARG A 70 3.396 -4.435 -10.805 1.00 45.22 N ATOM 1162 CZ ARG A 70 3.493 -3.126 -10.912 1.00 1.24 C ATOM 1163 NH1 ARG A 70 4.089 -2.412 -10.010 1.00 74.55 N ATOM 1164 NH2 ARG A 70 2.978 -2.539 -11.938 1.00 11.21 N ATOM 0 H ARG A 70 2.113 -5.650 -5.982 1.00 5.40 H new ATOM 0 HA ARG A 70 1.454 -7.923 -7.575 1.00 64.51 H new ATOM 0 HB2 ARG A 70 4.023 -6.333 -7.166 1.00 75.02 H new ATOM 0 HB3 ARG A 70 3.930 -7.681 -8.282 1.00 75.02 H new ATOM 0 HG2 ARG A 70 2.176 -6.516 -9.593 1.00 10.53 H new ATOM 0 HG3 ARG A 70 2.168 -5.190 -8.447 1.00 10.53 H new ATOM 0 HD2 ARG A 70 4.512 -4.626 -9.027 1.00 14.21 H new ATOM 0 HD3 ARG A 70 4.606 -6.009 -10.100 1.00 14.21 H new ATOM 0 HE ARG A 70 2.909 -4.927 -11.554 1.00 45.22 H new ATOM 0 HH11 ARG A 70 4.498 -2.862 -9.191 1.00 74.55 H new ATOM 0 HH12 ARG A 70 4.149 -1.400 -10.119 1.00 74.55 H new ATOM 0 HH21 ARG A 70 2.503 -3.088 -12.654 1.00 11.21 H new ATOM 0 HH22 ARG A 70 3.046 -1.526 -12.033 1.00 11.21 H new ATOM 1178 N ARG A 71 3.235 -8.522 -4.876 1.00 10.21 N ATOM 1179 CA ARG A 71 3.621 -9.619 -3.953 1.00 73.24 C ATOM 1180 C ARG A 71 2.352 -10.308 -3.379 1.00 63.44 C ATOM 1181 O ARG A 71 2.364 -11.502 -3.058 1.00 60.10 O ATOM 1182 CB ARG A 71 4.517 -9.093 -2.791 1.00 51.14 C ATOM 1183 CG ARG A 71 5.745 -8.255 -3.222 1.00 52.43 C ATOM 1184 CD ARG A 71 6.600 -8.944 -4.303 1.00 32.22 C ATOM 1185 NE ARG A 71 7.880 -8.252 -4.532 1.00 73.43 N ATOM 1186 CZ ARG A 71 8.056 -7.153 -5.239 1.00 24.40 C ATOM 1187 NH1 ARG A 71 7.066 -6.537 -5.808 1.00 2.45 N ATOM 1188 NH2 ARG A 71 9.244 -6.659 -5.351 1.00 54.31 N ATOM 0 H ARG A 71 3.300 -7.590 -4.466 1.00 10.21 H new ATOM 0 HA ARG A 71 4.199 -10.348 -4.521 1.00 73.24 H new ATOM 0 HB2 ARG A 71 3.901 -8.487 -2.126 1.00 51.14 H new ATOM 0 HB3 ARG A 71 4.867 -9.947 -2.211 1.00 51.14 H new ATOM 0 HG2 ARG A 71 5.405 -7.290 -3.597 1.00 52.43 H new ATOM 0 HG3 ARG A 71 6.366 -8.056 -2.349 1.00 52.43 H new ATOM 0 HD2 ARG A 71 6.795 -9.974 -4.006 1.00 32.22 H new ATOM 0 HD3 ARG A 71 6.039 -8.982 -5.237 1.00 32.22 H new ATOM 0 HE ARG A 71 8.709 -8.662 -4.103 1.00 73.43 H new ATOM 0 HH11 ARG A 71 6.118 -6.901 -5.715 1.00 2.45 H new ATOM 0 HH12 ARG A 71 7.236 -5.689 -6.348 1.00 2.45 H new ATOM 0 HH21 ARG A 71 10.032 -7.119 -4.895 1.00 54.31 H new ATOM 0 HH22 ARG A 71 9.394 -5.809 -5.895 1.00 54.31 H new