USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 302 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 21 LYS NZ :NH3+ -158:sc=-0.00655 (180deg=-0.318) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc=-0.00738 X(o=-0.0074,f=0) USER MOD Single : A 27 ASN : amide:sc= -0.0429 X(o=-0.043,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.00854 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 37:sc= 0.0967 USER MOD Single : A 33 LYS NZ :NH3+ -178:sc= -0.358 (180deg=-0.359) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.884 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -172:sc= 0.547 (180deg=0.507) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.410 18.900 -16.680 1.00 1.52 N ATOM 248 CA GLU A 16 -9.113 20.064 -17.507 1.00 54.10 C ATOM 249 C GLU A 16 -9.437 21.357 -16.763 1.00 65.14 C ATOM 250 O GLU A 16 -8.538 22.106 -16.380 1.00 50.34 O ATOM 251 CB GLU A 16 -9.906 20.003 -18.815 1.00 2.34 C ATOM 252 CG GLU A 16 -9.031 19.895 -20.052 1.00 42.10 C ATOM 253 CD GLU A 16 -8.563 21.247 -20.556 1.00 20.33 C ATOM 254 OE1 GLU A 16 -8.434 22.175 -19.730 1.00 21.42 O ATOM 255 OE2 GLU A 16 -8.326 21.377 -21.775 1.00 33.32 O ATOM 0 HA GLU A 16 -8.047 20.054 -17.735 1.00 54.10 H new ATOM 0 HB2 GLU A 16 -10.581 19.148 -18.782 1.00 2.34 H new ATOM 0 HB3 GLU A 16 -10.527 20.895 -18.896 1.00 2.34 H new ATOM 0 HG2 GLU A 16 -8.163 19.276 -19.826 1.00 42.10 H new ATOM 0 HG3 GLU A 16 -9.586 19.389 -20.842 1.00 42.10 H new ATOM 262 N ARG A 17 -10.726 21.611 -16.564 1.00 4.25 N ATOM 263 CA ARG A 17 -11.168 22.814 -15.868 1.00 32.52 C ATOM 264 C ARG A 17 -12.680 22.798 -15.663 1.00 32.30 C ATOM 265 O ARG A 17 -13.390 21.997 -16.272 1.00 14.10 O ATOM 266 CB ARG A 17 -10.762 24.062 -16.654 1.00 33.24 C ATOM 267 CG ARG A 17 -11.792 24.494 -17.684 1.00 52.14 C ATOM 268 CD ARG A 17 -12.071 23.389 -18.691 1.00 63.12 C ATOM 269 NE ARG A 17 -12.333 23.919 -20.027 1.00 33.53 N ATOM 270 CZ ARG A 17 -11.383 24.364 -20.841 1.00 23.23 C ATOM 271 NH1 ARG A 17 -10.114 24.343 -20.457 1.00 64.13 N ATOM 272 NH2 ARG A 17 -11.701 24.831 -22.041 1.00 63.23 N ATOM 0 H ARG A 17 -11.482 21.001 -16.874 1.00 4.25 H new ATOM 0 HA ARG A 17 -10.686 22.836 -14.891 1.00 32.52 H new ATOM 0 HB2 ARG A 17 -10.593 24.882 -15.956 1.00 33.24 H new ATOM 0 HB3 ARG A 17 -9.814 23.872 -17.158 1.00 33.24 H new ATOM 0 HG2 ARG A 17 -12.718 24.771 -17.180 1.00 52.14 H new ATOM 0 HG3 ARG A 17 -11.436 25.382 -18.206 1.00 52.14 H new ATOM 0 HD2 ARG A 17 -11.218 22.711 -18.731 1.00 63.12 H new ATOM 0 HD3 ARG A 17 -12.928 22.804 -18.359 1.00 63.12 H new ATOM 0 HE ARG A 17 -13.299 23.949 -20.352 1.00 33.53 H new ATOM 0 HH11 ARG A 17 -9.866 23.985 -19.535 1.00 64.13 H new ATOM 0 HH12 ARG A 17 -9.386 24.685 -21.084 1.00 64.13 H new ATOM 0 HH21 ARG A 17 -12.676 24.849 -22.339 1.00 63.23 H new ATOM 0 HH22 ARG A 17 -10.970 25.173 -22.665 1.00 63.23 H new ATOM 286 N ILE A 18 -13.165 23.686 -14.802 1.00 43.20 N ATOM 287 CA ILE A 18 -14.592 23.774 -14.518 1.00 4.23 C ATOM 288 C ILE A 18 -15.362 24.294 -15.727 1.00 1.23 C ATOM 289 O ILE A 18 -15.262 25.469 -16.082 1.00 32.32 O ATOM 290 CB ILE A 18 -14.870 24.692 -13.312 1.00 60.44 C ATOM 291 CG1 ILE A 18 -14.049 24.243 -12.102 1.00 32.43 C ATOM 292 CG2 ILE A 18 -16.355 24.695 -12.981 1.00 22.31 C ATOM 293 CD1 ILE A 18 -14.663 23.080 -11.353 1.00 42.21 C ATOM 0 H ILE A 18 -12.591 24.355 -14.289 1.00 43.20 H new ATOM 0 HA ILE A 18 -14.930 22.765 -14.282 1.00 4.23 H new ATOM 0 HB ILE A 18 -14.573 25.708 -13.571 1.00 60.44 H new ATOM 0 HG12 ILE A 18 -13.049 23.963 -12.435 1.00 32.43 H new ATOM 0 HG13 ILE A 18 -13.934 25.084 -11.419 1.00 32.43 H new ATOM 0 HG21 ILE A 18 -16.536 25.348 -12.127 1.00 22.31 H new ATOM 0 HG22 ILE A 18 -16.919 25.057 -13.841 1.00 22.31 H new ATOM 0 HG23 ILE A 18 -16.676 23.682 -12.738 1.00 22.31 H new ATOM 0 HD11 ILE A 18 -14.028 22.815 -10.508 1.00 42.21 H new ATOM 0 HD12 ILE A 18 -15.651 23.362 -10.990 1.00 42.21 H new ATOM 0 HD13 ILE A 18 -14.753 22.224 -12.021 1.00 42.21 H new ATOM 305 N VAL A 19 -16.132 23.412 -16.355 1.00 72.31 N ATOM 306 CA VAL A 19 -16.923 23.782 -17.523 1.00 22.31 C ATOM 307 C VAL A 19 -17.899 24.905 -17.192 1.00 44.54 C ATOM 308 O VAL A 19 -17.904 25.949 -17.846 1.00 4.05 O ATOM 309 CB VAL A 19 -17.711 22.577 -18.072 1.00 4.41 C ATOM 310 CG1 VAL A 19 -18.326 22.912 -19.422 1.00 13.41 C ATOM 311 CG2 VAL A 19 -16.811 21.355 -18.176 1.00 1.24 C ATOM 0 H VAL A 19 -16.225 22.436 -16.075 1.00 72.31 H new ATOM 0 HA VAL A 19 -16.222 24.126 -18.284 1.00 22.31 H new ATOM 0 HB VAL A 19 -18.519 22.347 -17.378 1.00 4.41 H new ATOM 0 HG11 VAL A 19 -18.879 22.049 -19.794 1.00 13.41 H new ATOM 0 HG12 VAL A 19 -19.005 23.758 -19.313 1.00 13.41 H new ATOM 0 HG13 VAL A 19 -17.536 23.169 -20.128 1.00 13.41 H new ATOM 0 HG21 VAL A 19 -17.384 20.513 -18.565 1.00 1.24 H new ATOM 0 HG22 VAL A 19 -15.981 21.571 -18.848 1.00 1.24 H new ATOM 0 HG23 VAL A 19 -16.423 21.104 -17.189 1.00 1.24 H new ATOM 321 N ARG A 20 -18.723 24.685 -16.174 1.00 13.01 N ATOM 322 CA ARG A 20 -19.705 25.679 -15.757 1.00 2.14 C ATOM 323 C ARG A 20 -20.219 25.379 -14.351 1.00 45.34 C ATOM 324 O ARG A 20 -19.716 24.484 -13.673 1.00 22.35 O ATOM 325 CB ARG A 20 -20.875 25.717 -16.742 1.00 24.34 C ATOM 326 CG ARG A 20 -21.593 24.385 -16.885 1.00 13.11 C ATOM 327 CD ARG A 20 -21.140 23.638 -18.130 1.00 2.54 C ATOM 328 NE ARG A 20 -22.253 23.348 -19.029 1.00 61.24 N ATOM 329 CZ ARG A 20 -22.754 24.229 -19.888 1.00 5.43 C ATOM 330 NH1 ARG A 20 -22.243 25.451 -19.963 1.00 25.44 N ATOM 331 NH2 ARG A 20 -23.767 23.890 -20.674 1.00 32.02 N ATOM 0 H ARG A 20 -18.731 23.827 -15.622 1.00 13.01 H new ATOM 0 HA ARG A 20 -19.216 26.653 -15.747 1.00 2.14 H new ATOM 0 HB2 ARG A 20 -21.590 26.472 -16.415 1.00 24.34 H new ATOM 0 HB3 ARG A 20 -20.506 26.028 -17.719 1.00 24.34 H new ATOM 0 HG2 ARG A 20 -21.405 23.772 -16.003 1.00 13.11 H new ATOM 0 HG3 ARG A 20 -22.669 24.554 -16.932 1.00 13.11 H new ATOM 0 HD2 ARG A 20 -20.393 24.232 -18.657 1.00 2.54 H new ATOM 0 HD3 ARG A 20 -20.658 22.705 -17.838 1.00 2.54 H new ATOM 0 HE ARG A 20 -22.669 22.417 -18.996 1.00 61.24 H new ATOM 0 HH11 ARG A 20 -21.464 25.716 -19.360 1.00 25.44 H new ATOM 0 HH12 ARG A 20 -22.629 26.126 -20.623 1.00 25.44 H new ATOM 0 HH21 ARG A 20 -24.163 22.952 -20.620 1.00 32.02 H new ATOM 0 HH22 ARG A 20 -24.150 24.568 -21.333 1.00 32.02 H new ATOM 345 N LYS A 21 -21.223 26.135 -13.921 1.00 1.14 N ATOM 346 CA LYS A 21 -21.806 25.951 -12.597 1.00 53.20 C ATOM 347 C LYS A 21 -23.257 26.422 -12.572 1.00 30.22 C ATOM 348 O LYS A 21 -23.674 27.227 -13.404 1.00 40.43 O ATOM 349 CB LYS A 21 -20.993 26.714 -11.548 1.00 74.33 C ATOM 350 CG LYS A 21 -21.126 28.223 -11.656 1.00 23.05 C ATOM 351 CD LYS A 21 -20.605 28.918 -10.409 1.00 2.31 C ATOM 352 CE LYS A 21 -21.496 30.084 -10.008 1.00 4.04 C ATOM 353 NZ LYS A 21 -21.751 31.005 -11.149 1.00 53.41 N ATOM 0 H LYS A 21 -21.650 26.881 -14.470 1.00 1.14 H new ATOM 0 HA LYS A 21 -21.783 24.887 -12.362 1.00 53.20 H new ATOM 0 HB2 LYS A 21 -21.312 26.400 -10.554 1.00 74.33 H new ATOM 0 HB3 LYS A 21 -19.942 26.442 -11.647 1.00 74.33 H new ATOM 0 HG2 LYS A 21 -20.575 28.576 -12.528 1.00 23.05 H new ATOM 0 HG3 LYS A 21 -22.172 28.487 -11.811 1.00 23.05 H new ATOM 0 HD2 LYS A 21 -20.549 28.202 -9.589 1.00 2.31 H new ATOM 0 HD3 LYS A 21 -19.592 29.278 -10.588 1.00 2.31 H new ATOM 0 HE2 LYS A 21 -22.445 29.703 -9.630 1.00 4.04 H new ATOM 0 HE3 LYS A 21 -21.027 30.636 -9.194 1.00 4.04 H new ATOM 0 HZ1 LYS A 21 -22.024 31.940 -10.786 1.00 53.41 H new ATOM 0 HZ2 LYS A 21 -20.888 31.095 -11.722 1.00 53.41 H new ATOM 0 HZ3 LYS A 21 -22.519 30.624 -11.738 1.00 53.41 H new ATOM 367 N LYS A 22 -24.022 25.915 -11.611 1.00 1.23 N ATOM 368 CA LYS A 22 -25.426 26.285 -11.474 1.00 44.24 C ATOM 369 C LYS A 22 -26.004 25.753 -10.167 1.00 51.21 C ATOM 370 O LYS A 22 -25.640 24.668 -9.713 1.00 74.10 O ATOM 371 CB LYS A 22 -26.233 25.748 -12.658 1.00 33.31 C ATOM 372 CG LYS A 22 -26.478 24.250 -12.597 1.00 61.13 C ATOM 373 CD LYS A 22 -27.932 23.934 -12.288 1.00 4.33 C ATOM 374 CE LYS A 22 -28.649 23.366 -13.502 1.00 55.14 C ATOM 375 NZ LYS A 22 -30.129 23.386 -13.332 1.00 63.10 N ATOM 0 H LYS A 22 -23.693 25.246 -10.915 1.00 1.23 H new ATOM 0 HA LYS A 22 -25.490 27.373 -11.462 1.00 44.24 H new ATOM 0 HB2 LYS A 22 -27.193 26.263 -12.697 1.00 33.31 H new ATOM 0 HB3 LYS A 22 -25.707 25.984 -13.583 1.00 33.31 H new ATOM 0 HG2 LYS A 22 -26.201 23.796 -13.548 1.00 61.13 H new ATOM 0 HG3 LYS A 22 -25.838 23.807 -11.834 1.00 61.13 H new ATOM 0 HD2 LYS A 22 -27.983 23.219 -11.466 1.00 4.33 H new ATOM 0 HD3 LYS A 22 -28.439 24.839 -11.955 1.00 4.33 H new ATOM 0 HE2 LYS A 22 -28.377 23.942 -14.387 1.00 55.14 H new ATOM 0 HE3 LYS A 22 -28.317 22.342 -13.674 1.00 55.14 H new ATOM 0 HZ1 LYS A 22 -30.581 22.991 -14.181 1.00 63.10 H new ATOM 0 HZ2 LYS A 22 -30.391 22.816 -12.503 1.00 63.10 H new ATOM 0 HZ3 LYS A 22 -30.449 24.366 -13.194 1.00 63.10 H new ATOM 389 N ILE A 23 -26.907 26.523 -9.568 1.00 65.21 N ATOM 390 CA ILE A 23 -27.537 26.127 -8.315 1.00 25.32 C ATOM 391 C ILE A 23 -29.001 25.759 -8.528 1.00 20.12 C ATOM 392 O ILE A 23 -29.661 26.286 -9.424 1.00 22.14 O ATOM 393 CB ILE A 23 -27.448 27.247 -7.262 1.00 12.03 C ATOM 394 CG1 ILE A 23 -28.558 28.276 -7.486 1.00 12.03 C ATOM 395 CG2 ILE A 23 -26.082 27.914 -7.312 1.00 1.35 C ATOM 396 CD1 ILE A 23 -29.799 28.015 -6.661 1.00 12.40 C ATOM 0 H ILE A 23 -27.218 27.424 -9.930 1.00 65.21 H new ATOM 0 HA ILE A 23 -26.995 25.254 -7.951 1.00 25.32 H new ATOM 0 HB ILE A 23 -27.580 26.807 -6.273 1.00 12.03 H new ATOM 0 HG12 ILE A 23 -28.176 29.269 -7.248 1.00 12.03 H new ATOM 0 HG13 ILE A 23 -28.828 28.283 -8.542 1.00 12.03 H new ATOM 0 HG21 ILE A 23 -26.035 28.703 -6.562 1.00 1.35 H new ATOM 0 HG22 ILE A 23 -25.308 27.174 -7.109 1.00 1.35 H new ATOM 0 HG23 ILE A 23 -25.923 28.343 -8.301 1.00 1.35 H new ATOM 0 HD11 ILE A 23 -30.543 28.783 -6.871 1.00 12.40 H new ATOM 0 HD12 ILE A 23 -30.206 27.036 -6.915 1.00 12.40 H new ATOM 0 HD13 ILE A 23 -29.543 28.037 -5.602 1.00 12.40 H new ATOM 408 N VAL A 24 -29.505 24.852 -7.697 1.00 25.41 N ATOM 409 CA VAL A 24 -30.892 24.415 -7.792 1.00 33.22 C ATOM 410 C VAL A 24 -31.531 24.310 -6.412 1.00 11.34 C ATOM 411 O VAL A 24 -31.026 23.610 -5.533 1.00 74.03 O ATOM 412 CB VAL A 24 -31.005 23.053 -8.502 1.00 23.30 C ATOM 413 CG1 VAL A 24 -32.252 23.005 -9.372 1.00 3.03 C ATOM 414 CG2 VAL A 24 -29.757 22.779 -9.329 1.00 34.24 C ATOM 0 H VAL A 24 -28.973 24.406 -6.950 1.00 25.41 H new ATOM 0 HA VAL A 24 -31.420 25.167 -8.378 1.00 33.22 H new ATOM 0 HB VAL A 24 -31.090 22.274 -7.744 1.00 23.30 H new ATOM 0 HG11 VAL A 24 -32.314 22.035 -9.865 1.00 3.03 H new ATOM 0 HG12 VAL A 24 -33.135 23.153 -8.751 1.00 3.03 H new ATOM 0 HG13 VAL A 24 -32.201 23.792 -10.124 1.00 3.03 H new ATOM 0 HG21 VAL A 24 -29.853 21.813 -9.824 1.00 34.24 H new ATOM 0 HG22 VAL A 24 -29.639 23.561 -10.079 1.00 34.24 H new ATOM 0 HG23 VAL A 24 -28.884 22.767 -8.677 1.00 34.24 H new ATOM 424 N HIS A 25 -32.645 25.011 -6.227 1.00 14.14 N ATOM 425 CA HIS A 25 -33.355 24.996 -4.952 1.00 51.43 C ATOM 426 C HIS A 25 -32.428 25.399 -3.809 1.00 51.45 C ATOM 427 O HIS A 25 -32.655 25.037 -2.656 1.00 0.31 O ATOM 428 CB HIS A 25 -33.939 23.609 -4.686 1.00 31.23 C ATOM 429 CG HIS A 25 -35.339 23.640 -4.156 1.00 35.05 C ATOM 430 ND1 HIS A 25 -36.322 22.768 -4.574 1.00 73.00 N ATOM 431 CD2 HIS A 25 -35.919 24.444 -3.234 1.00 35.01 C ATOM 432 CE1 HIS A 25 -37.447 23.035 -3.934 1.00 44.41 C ATOM 433 NE2 HIS A 25 -37.229 24.048 -3.114 1.00 61.05 N ATOM 0 H HIS A 25 -33.076 25.596 -6.943 1.00 14.14 H new ATOM 0 HA HIS A 25 -34.168 25.719 -5.009 1.00 51.43 H new ATOM 0 HB2 HIS A 25 -33.922 23.033 -5.611 1.00 31.23 H new ATOM 0 HB3 HIS A 25 -33.301 23.086 -3.974 1.00 31.23 H new ATOM 0 HD2 HIS A 25 -35.441 25.247 -2.693 1.00 35.01 H new ATOM 0 HE1 HIS A 25 -38.385 22.514 -4.060 1.00 44.41 H new ATOM 0 HE2 HIS A 25 -37.921 24.468 -2.493 1.00 61.05 H new ATOM 441 N GLY A 26 -31.382 26.151 -4.139 1.00 61.02 N ATOM 442 CA GLY A 26 -30.436 26.590 -3.130 1.00 31.43 C ATOM 443 C GLY A 26 -29.252 25.652 -2.998 1.00 51.42 C ATOM 444 O GLY A 26 -28.526 25.694 -2.006 1.00 41.52 O ATOM 0 H GLY A 26 -31.173 26.464 -5.087 1.00 61.02 H new ATOM 0 HA2 GLY A 26 -30.078 27.588 -3.382 1.00 31.43 H new ATOM 0 HA3 GLY A 26 -30.944 26.666 -2.169 1.00 31.43 H new ATOM 448 N ASN A 27 -29.058 24.802 -4.001 1.00 41.55 N ATOM 449 CA ASN A 27 -27.955 23.849 -3.992 1.00 63.44 C ATOM 450 C ASN A 27 -27.013 24.095 -5.167 1.00 60.02 C ATOM 451 O ASN A 27 -27.333 23.775 -6.313 1.00 13.15 O ATOM 452 CB ASN A 27 -28.491 22.417 -4.046 1.00 22.43 C ATOM 453 CG ASN A 27 -29.377 22.087 -2.860 1.00 74.34 C ATOM 454 OD1 ASN A 27 -30.526 21.675 -3.026 1.00 23.14 O ATOM 455 ND2 ASN A 27 -28.847 22.267 -1.657 1.00 3.15 N ATOM 0 H ASN A 27 -29.650 24.754 -4.830 1.00 41.55 H new ATOM 0 HA ASN A 27 -27.396 23.987 -3.066 1.00 63.44 H new ATOM 0 HB2 ASN A 27 -29.056 22.278 -4.968 1.00 22.43 H new ATOM 0 HB3 ASN A 27 -27.654 21.719 -4.076 1.00 22.43 H new ATOM 0 HD21 ASN A 27 -29.396 22.062 -0.822 1.00 3.15 H new ATOM 0 HD22 ASN A 27 -27.891 22.610 -1.567 1.00 3.15 H new ATOM 462 N THR A 28 -25.848 24.666 -4.875 1.00 72.34 N ATOM 463 CA THR A 28 -24.860 24.956 -5.906 1.00 64.33 C ATOM 464 C THR A 28 -24.287 23.672 -6.496 1.00 21.24 C ATOM 465 O THR A 28 -24.122 22.674 -5.793 1.00 53.51 O ATOM 466 CB THR A 28 -23.705 25.813 -5.353 1.00 35.53 C ATOM 467 OG1 THR A 28 -24.206 26.743 -4.386 1.00 51.25 O ATOM 468 CG2 THR A 28 -23.004 26.565 -6.474 1.00 15.25 C ATOM 0 H THR A 28 -25.566 24.937 -3.933 1.00 72.34 H new ATOM 0 HA THR A 28 -25.375 25.514 -6.688 1.00 64.33 H new ATOM 0 HB THR A 28 -22.983 25.149 -4.878 1.00 35.53 H new ATOM 0 HG1 THR A 28 -23.466 27.283 -4.038 1.00 51.25 H new ATOM 0 HG21 THR A 28 -22.193 27.163 -6.059 1.00 15.25 H new ATOM 0 HG22 THR A 28 -22.599 25.852 -7.192 1.00 15.25 H new ATOM 0 HG23 THR A 28 -23.717 27.219 -6.975 1.00 15.25 H new ATOM 476 N SER A 29 -23.984 23.704 -7.789 1.00 72.55 N ATOM 477 CA SER A 29 -23.432 22.540 -8.474 1.00 52.41 C ATOM 478 C SER A 29 -22.395 22.962 -9.510 1.00 63.44 C ATOM 479 O SER A 29 -22.661 23.809 -10.363 1.00 0.22 O ATOM 480 CB SER A 29 -24.549 21.742 -9.149 1.00 50.04 C ATOM 481 OG SER A 29 -25.499 21.291 -8.200 1.00 33.01 O ATOM 0 H SER A 29 -24.111 24.523 -8.384 1.00 72.55 H new ATOM 0 HA SER A 29 -22.943 21.909 -7.731 1.00 52.41 H new ATOM 0 HB2 SER A 29 -25.043 22.363 -9.896 1.00 50.04 H new ATOM 0 HB3 SER A 29 -24.123 20.888 -9.676 1.00 50.04 H new ATOM 0 HG SER A 29 -26.203 20.785 -8.657 1.00 33.01 H new ATOM 487 N TYR A 30 -21.211 22.364 -9.430 1.00 73.31 N ATOM 488 CA TYR A 30 -20.132 22.678 -10.359 1.00 22.45 C ATOM 489 C TYR A 30 -19.951 21.561 -11.382 1.00 33.41 C ATOM 490 O TYR A 30 -19.628 20.426 -11.029 1.00 62.55 O ATOM 491 CB TYR A 30 -18.825 22.902 -9.596 1.00 43.35 C ATOM 492 CG TYR A 30 -18.692 24.294 -9.019 1.00 62.53 C ATOM 493 CD1 TYR A 30 -19.703 24.843 -8.241 1.00 53.43 C ATOM 494 CD2 TYR A 30 -17.556 25.058 -9.253 1.00 3.44 C ATOM 495 CE1 TYR A 30 -19.587 26.114 -7.712 1.00 43.43 C ATOM 496 CE2 TYR A 30 -17.430 26.329 -8.727 1.00 1.45 C ATOM 497 CZ TYR A 30 -18.448 26.853 -7.957 1.00 40.13 C ATOM 498 OH TYR A 30 -18.327 28.119 -7.433 1.00 11.53 O ATOM 0 H TYR A 30 -20.974 21.659 -8.731 1.00 73.31 H new ATOM 0 HA TYR A 30 -20.398 23.592 -10.890 1.00 22.45 H new ATOM 0 HB2 TYR A 30 -18.757 22.174 -8.787 1.00 43.35 H new ATOM 0 HB3 TYR A 30 -17.986 22.714 -10.266 1.00 43.35 H new ATOM 0 HD1 TYR A 30 -20.595 24.266 -8.046 1.00 53.43 H new ATOM 0 HD2 TYR A 30 -16.758 24.652 -9.856 1.00 3.44 H new ATOM 0 HE1 TYR A 30 -20.383 26.527 -7.110 1.00 43.43 H new ATOM 0 HE2 TYR A 30 -16.539 26.910 -8.917 1.00 1.45 H new ATOM 0 HH TYR A 30 -18.731 28.144 -6.540 1.00 11.53 H new ATOM 508 N LEU A 31 -20.162 21.891 -12.651 1.00 72.33 N ATOM 509 CA LEU A 31 -20.023 20.917 -13.728 1.00 65.24 C ATOM 510 C LEU A 31 -18.625 20.975 -14.338 1.00 14.34 C ATOM 511 O LEU A 31 -18.275 21.936 -15.023 1.00 52.10 O ATOM 512 CB LEU A 31 -21.074 21.169 -14.810 1.00 50.33 C ATOM 513 CG LEU A 31 -21.115 20.157 -15.956 1.00 3.50 C ATOM 514 CD1 LEU A 31 -21.017 18.738 -15.418 1.00 41.24 C ATOM 515 CD2 LEU A 31 -22.384 20.332 -16.777 1.00 42.43 C ATOM 0 H LEU A 31 -20.430 22.826 -12.960 1.00 72.33 H new ATOM 0 HA LEU A 31 -20.175 19.923 -13.307 1.00 65.24 H new ATOM 0 HB2 LEU A 31 -22.056 21.191 -14.336 1.00 50.33 H new ATOM 0 HB3 LEU A 31 -20.901 22.159 -15.232 1.00 50.33 H new ATOM 0 HG LEU A 31 -20.259 20.337 -16.606 1.00 3.50 H new ATOM 0 HD11 LEU A 31 -21.048 18.031 -16.247 1.00 41.24 H new ATOM 0 HD12 LEU A 31 -20.080 18.619 -14.874 1.00 41.24 H new ATOM 0 HD13 LEU A 31 -21.853 18.545 -14.746 1.00 41.24 H new ATOM 0 HD21 LEU A 31 -22.396 19.604 -17.588 1.00 42.43 H new ATOM 0 HD22 LEU A 31 -23.254 20.179 -16.139 1.00 42.43 H new ATOM 0 HD23 LEU A 31 -22.412 21.339 -17.193 1.00 42.43 H new ATOM 527 N VAL A 32 -17.831 19.940 -14.085 1.00 32.23 N ATOM 528 CA VAL A 32 -16.473 19.871 -14.611 1.00 12.42 C ATOM 529 C VAL A 32 -16.335 18.748 -15.632 1.00 54.13 C ATOM 530 O VAL A 32 -16.994 17.713 -15.527 1.00 13.33 O ATOM 531 CB VAL A 32 -15.445 19.655 -13.484 1.00 51.15 C ATOM 532 CG1 VAL A 32 -15.611 18.274 -12.868 1.00 43.41 C ATOM 533 CG2 VAL A 32 -14.031 19.847 -14.011 1.00 3.15 C ATOM 0 H VAL A 32 -18.105 19.137 -13.519 1.00 32.23 H new ATOM 0 HA VAL A 32 -16.273 20.826 -15.097 1.00 12.42 H new ATOM 0 HB VAL A 32 -15.622 20.397 -12.705 1.00 51.15 H new ATOM 0 HG11 VAL A 32 -14.877 18.139 -12.074 1.00 43.41 H new ATOM 0 HG12 VAL A 32 -16.615 18.179 -12.454 1.00 43.41 H new ATOM 0 HG13 VAL A 32 -15.461 17.513 -13.634 1.00 43.41 H new ATOM 0 HG21 VAL A 32 -13.317 19.691 -13.202 1.00 3.15 H new ATOM 0 HG22 VAL A 32 -13.839 19.129 -14.808 1.00 3.15 H new ATOM 0 HG23 VAL A 32 -13.922 20.859 -14.401 1.00 3.15 H new ATOM 543 N LYS A 33 -15.474 18.958 -16.622 1.00 11.11 N ATOM 544 CA LYS A 33 -15.247 17.963 -17.663 1.00 42.12 C ATOM 545 C LYS A 33 -14.083 17.048 -17.297 1.00 30.24 C ATOM 546 O LYS A 33 -13.535 17.135 -16.198 1.00 34.15 O ATOM 547 CB LYS A 33 -14.967 18.650 -19.002 1.00 1.44 C ATOM 548 CG LYS A 33 -13.827 19.653 -18.944 1.00 34.00 C ATOM 549 CD LYS A 33 -13.520 20.228 -20.317 1.00 34.24 C ATOM 550 CE LYS A 33 -14.276 21.525 -20.560 1.00 14.05 C ATOM 551 NZ LYS A 33 -15.551 21.295 -21.295 1.00 44.12 N ATOM 0 H LYS A 33 -14.922 19.809 -16.725 1.00 11.11 H new ATOM 0 HA LYS A 33 -16.148 17.357 -17.753 1.00 42.12 H new ATOM 0 HB2 LYS A 33 -14.734 17.891 -19.749 1.00 1.44 H new ATOM 0 HB3 LYS A 33 -15.871 19.159 -19.336 1.00 1.44 H new ATOM 0 HG2 LYS A 33 -14.086 20.461 -18.260 1.00 34.00 H new ATOM 0 HG3 LYS A 33 -12.936 19.170 -18.543 1.00 34.00 H new ATOM 0 HD2 LYS A 33 -12.449 20.408 -20.406 1.00 34.24 H new ATOM 0 HD3 LYS A 33 -13.786 19.501 -21.085 1.00 34.24 H new ATOM 0 HE2 LYS A 33 -14.489 22.006 -19.605 1.00 14.05 H new ATOM 0 HE3 LYS A 33 -13.648 22.210 -21.129 1.00 14.05 H new ATOM 0 HZ1 LYS A 33 -16.020 22.207 -21.471 1.00 44.12 H new ATOM 0 HZ2 LYS A 33 -15.349 20.829 -22.203 1.00 44.12 H new ATOM 0 HZ3 LYS A 33 -16.175 20.689 -20.726 1.00 44.12 H new ATOM 565 N TRP A 34 -13.710 16.173 -18.223 1.00 40.04 N ATOM 566 CA TRP A 34 -12.610 15.243 -17.997 1.00 64.33 C ATOM 567 C TRP A 34 -11.511 15.437 -19.036 1.00 64.21 C ATOM 568 O TRP A 34 -11.531 14.817 -20.099 1.00 63.55 O ATOM 569 CB TRP A 34 -13.117 13.801 -18.037 1.00 75.54 C ATOM 570 CG TRP A 34 -14.180 13.516 -17.019 1.00 41.41 C ATOM 571 CD1 TRP A 34 -14.405 14.198 -15.857 1.00 64.11 C ATOM 572 CD2 TRP A 34 -15.160 12.474 -17.071 1.00 52.24 C ATOM 573 NE1 TRP A 34 -15.466 13.642 -15.184 1.00 24.02 N ATOM 574 CE2 TRP A 34 -15.947 12.584 -15.908 1.00 71.21 C ATOM 575 CE3 TRP A 34 -15.451 11.461 -17.988 1.00 72.42 C ATOM 576 CZ2 TRP A 34 -17.003 11.717 -15.640 1.00 12.01 C ATOM 577 CZ3 TRP A 34 -16.499 10.601 -17.720 1.00 74.04 C ATOM 578 CH2 TRP A 34 -17.266 10.734 -16.555 1.00 23.23 C ATOM 0 H TRP A 34 -14.153 16.088 -19.138 1.00 40.04 H new ATOM 0 HA TRP A 34 -12.192 15.446 -17.011 1.00 64.33 H new ATOM 0 HB2 TRP A 34 -13.510 13.589 -19.031 1.00 75.54 H new ATOM 0 HB3 TRP A 34 -12.278 13.124 -17.875 1.00 75.54 H new ATOM 0 HD1 TRP A 34 -13.833 15.049 -15.517 1.00 64.11 H new ATOM 0 HE1 TRP A 34 -15.836 13.965 -14.290 1.00 24.02 H new ATOM 0 HE3 TRP A 34 -14.867 11.352 -18.890 1.00 72.42 H new ATOM 0 HZ2 TRP A 34 -17.594 11.817 -14.741 1.00 12.01 H new ATOM 0 HZ3 TRP A 34 -16.731 9.813 -18.421 1.00 74.04 H new ATOM 0 HH2 TRP A 34 -18.080 10.048 -16.376 1.00 23.23 H new ATOM 754 N GLU A 45 -20.624 18.259 -9.656 1.00 41.20 N ATOM 755 CA GLU A 45 -20.182 18.108 -8.275 1.00 0.24 C ATOM 756 C GLU A 45 -20.514 19.354 -7.458 1.00 32.31 C ATOM 757 O GLU A 45 -20.136 20.468 -7.821 1.00 1.12 O ATOM 758 CB GLU A 45 -18.677 17.838 -8.224 1.00 3.21 C ATOM 759 CG GLU A 45 -18.295 16.436 -8.668 1.00 4.13 C ATOM 760 CD GLU A 45 -18.134 15.479 -7.503 1.00 34.24 C ATOM 761 OE1 GLU A 45 -18.957 15.543 -6.565 1.00 53.23 O ATOM 762 OE2 GLU A 45 -17.187 14.666 -7.528 1.00 2.13 O ATOM 0 HA GLU A 45 -20.711 17.259 -7.842 1.00 0.24 H new ATOM 0 HB2 GLU A 45 -18.165 18.563 -8.857 1.00 3.21 H new ATOM 0 HB3 GLU A 45 -18.322 17.997 -7.206 1.00 3.21 H new ATOM 0 HG2 GLU A 45 -19.058 16.053 -9.345 1.00 4.13 H new ATOM 0 HG3 GLU A 45 -17.362 16.478 -9.230 1.00 4.13 H new ATOM 769 N THR A 46 -21.225 19.157 -6.352 1.00 33.21 N ATOM 770 CA THR A 46 -21.611 20.262 -5.484 1.00 44.41 C ATOM 771 C THR A 46 -20.451 21.230 -5.278 1.00 42.05 C ATOM 772 O THR A 46 -19.286 20.836 -5.328 1.00 32.22 O ATOM 773 CB THR A 46 -22.092 19.757 -4.111 1.00 55.20 C ATOM 774 OG1 THR A 46 -21.573 18.446 -3.861 1.00 42.53 O ATOM 775 CG2 THR A 46 -23.612 19.726 -4.049 1.00 11.24 C ATOM 0 H THR A 46 -21.545 18.241 -6.036 1.00 33.21 H new ATOM 0 HA THR A 46 -22.431 20.781 -5.980 1.00 44.41 H new ATOM 0 HB THR A 46 -21.726 20.443 -3.347 1.00 55.20 H new ATOM 0 HG1 THR A 46 -21.882 18.133 -2.985 1.00 42.53 H new ATOM 0 HG21 THR A 46 -23.929 19.366 -3.070 1.00 11.24 H new ATOM 0 HG22 THR A 46 -24.003 20.730 -4.210 1.00 11.24 H new ATOM 0 HG23 THR A 46 -23.994 19.059 -4.822 1.00 11.24 H new ATOM 783 N GLU A 47 -20.778 22.498 -5.047 1.00 65.32 N ATOM 784 CA GLU A 47 -19.761 23.521 -4.834 1.00 40.22 C ATOM 785 C GLU A 47 -18.889 23.180 -3.629 1.00 35.11 C ATOM 786 O GLU A 47 -17.756 23.647 -3.517 1.00 62.31 O ATOM 787 CB GLU A 47 -20.417 24.889 -4.632 1.00 61.22 C ATOM 788 CG GLU A 47 -19.487 25.926 -4.024 1.00 74.24 C ATOM 789 CD GLU A 47 -20.140 27.288 -3.892 1.00 33.14 C ATOM 790 OE1 GLU A 47 -21.159 27.390 -3.176 1.00 24.34 O ATOM 791 OE2 GLU A 47 -19.634 28.251 -4.503 1.00 41.53 O ATOM 0 H GLU A 47 -21.738 22.841 -5.003 1.00 65.32 H new ATOM 0 HA GLU A 47 -19.127 23.557 -5.720 1.00 40.22 H new ATOM 0 HB2 GLU A 47 -20.777 25.255 -5.593 1.00 61.22 H new ATOM 0 HB3 GLU A 47 -21.289 24.773 -3.988 1.00 61.22 H new ATOM 0 HG2 GLU A 47 -19.163 25.586 -3.041 1.00 74.24 H new ATOM 0 HG3 GLU A 47 -18.593 26.014 -4.642 1.00 74.24 H new ATOM 798 N ASP A 48 -19.428 22.363 -2.730 1.00 5.43 N ATOM 799 CA ASP A 48 -18.700 21.958 -1.533 1.00 0.45 C ATOM 800 C ASP A 48 -18.029 20.604 -1.737 1.00 24.12 C ATOM 801 O ASP A 48 -17.360 20.090 -0.840 1.00 44.11 O ATOM 802 CB ASP A 48 -19.645 21.897 -0.332 1.00 12.23 C ATOM 803 CG ASP A 48 -18.903 21.910 0.990 1.00 33.14 C ATOM 804 OD1 ASP A 48 -18.494 20.824 1.452 1.00 64.23 O ATOM 805 OD2 ASP A 48 -18.732 23.006 1.563 1.00 24.13 O ATOM 0 H ASP A 48 -20.366 21.969 -2.808 1.00 5.43 H new ATOM 0 HA ASP A 48 -17.926 22.701 -1.340 1.00 0.45 H new ATOM 0 HB2 ASP A 48 -20.330 22.744 -0.369 1.00 12.23 H new ATOM 0 HB3 ASP A 48 -20.251 20.994 -0.396 1.00 12.23 H new ATOM 810 N ASP A 49 -18.213 20.031 -2.921 1.00 22.21 N ATOM 811 CA ASP A 49 -17.625 18.736 -3.243 1.00 70.32 C ATOM 812 C ASP A 49 -16.734 18.835 -4.478 1.00 14.23 C ATOM 813 O ASP A 49 -16.040 17.882 -4.832 1.00 44.31 O ATOM 814 CB ASP A 49 -18.723 17.696 -3.474 1.00 13.51 C ATOM 815 CG ASP A 49 -18.277 16.293 -3.114 1.00 13.04 C ATOM 816 OD1 ASP A 49 -18.110 16.015 -1.908 1.00 14.22 O ATOM 817 OD2 ASP A 49 -18.094 15.473 -4.038 1.00 33.35 O ATOM 0 H ASP A 49 -18.765 20.443 -3.674 1.00 22.21 H new ATOM 0 HA ASP A 49 -17.011 18.424 -2.398 1.00 70.32 H new ATOM 0 HB2 ASP A 49 -19.599 17.959 -2.881 1.00 13.51 H new ATOM 0 HB3 ASP A 49 -19.028 17.720 -4.520 1.00 13.51 H new ATOM 822 N ILE A 50 -16.761 19.993 -5.128 1.00 51.44 N ATOM 823 CA ILE A 50 -15.956 20.217 -6.323 1.00 32.41 C ATOM 824 C ILE A 50 -14.660 20.946 -5.984 1.00 73.53 C ATOM 825 O ILE A 50 -13.629 20.728 -6.621 1.00 32.12 O ATOM 826 CB ILE A 50 -16.729 21.030 -7.378 1.00 63.24 C ATOM 827 CG1 ILE A 50 -15.931 21.103 -8.682 1.00 4.22 C ATOM 828 CG2 ILE A 50 -17.029 22.426 -6.855 1.00 40.54 C ATOM 829 CD1 ILE A 50 -16.592 20.384 -9.836 1.00 64.45 C ATOM 0 H ILE A 50 -17.331 20.791 -4.848 1.00 51.44 H new ATOM 0 HA ILE A 50 -15.721 19.235 -6.734 1.00 32.41 H new ATOM 0 HB ILE A 50 -17.675 20.528 -7.581 1.00 63.24 H new ATOM 0 HG12 ILE A 50 -15.786 22.149 -8.952 1.00 4.22 H new ATOM 0 HG13 ILE A 50 -14.942 20.676 -8.517 1.00 4.22 H new ATOM 0 HG21 ILE A 50 -17.576 22.988 -7.612 1.00 40.54 H new ATOM 0 HG22 ILE A 50 -17.633 22.354 -5.950 1.00 40.54 H new ATOM 0 HG23 ILE A 50 -16.094 22.938 -6.627 1.00 40.54 H new ATOM 0 HD11 ILE A 50 -15.971 20.478 -10.727 1.00 64.45 H new ATOM 0 HD12 ILE A 50 -16.713 19.330 -9.587 1.00 64.45 H new ATOM 0 HD13 ILE A 50 -17.570 20.826 -10.028 1.00 64.45 H new ATOM 841 N ARG A 51 -14.720 21.810 -4.977 1.00 11.22 N ATOM 842 CA ARG A 51 -13.551 22.571 -4.553 1.00 11.13 C ATOM 843 C ARG A 51 -12.610 21.704 -3.722 1.00 21.41 C ATOM 844 O ARG A 51 -11.437 22.034 -3.545 1.00 63.20 O ATOM 845 CB ARG A 51 -13.980 23.797 -3.744 1.00 22.44 C ATOM 846 CG ARG A 51 -14.061 23.541 -2.247 1.00 65.15 C ATOM 847 CD ARG A 51 -15.204 22.598 -1.904 1.00 45.43 C ATOM 848 NE ARG A 51 -15.115 22.108 -0.532 1.00 21.44 N ATOM 849 CZ ARG A 51 -15.336 22.867 0.536 1.00 71.51 C ATOM 850 NH1 ARG A 51 -15.658 24.144 0.390 1.00 43.52 N ATOM 851 NH2 ARG A 51 -15.236 22.347 1.753 1.00 52.21 N ATOM 0 H ARG A 51 -15.565 22.001 -4.439 1.00 11.22 H new ATOM 0 HA ARG A 51 -13.020 22.901 -5.446 1.00 11.13 H new ATOM 0 HB2 ARG A 51 -13.275 24.608 -3.928 1.00 22.44 H new ATOM 0 HB3 ARG A 51 -14.954 24.134 -4.100 1.00 22.44 H new ATOM 0 HG2 ARG A 51 -13.120 23.116 -1.898 1.00 65.15 H new ATOM 0 HG3 ARG A 51 -14.198 24.486 -1.722 1.00 65.15 H new ATOM 0 HD2 ARG A 51 -16.154 23.114 -2.044 1.00 45.43 H new ATOM 0 HD3 ARG A 51 -15.196 21.753 -2.592 1.00 45.43 H new ATOM 0 HE ARG A 51 -14.870 21.129 -0.385 1.00 21.44 H new ATOM 0 HH11 ARG A 51 -15.737 24.547 -0.544 1.00 43.52 H new ATOM 0 HH12 ARG A 51 -15.827 24.724 1.212 1.00 43.52 H new ATOM 0 HH21 ARG A 51 -14.989 21.364 1.869 1.00 52.21 H new ATOM 0 HH22 ARG A 51 -15.406 22.930 2.572 1.00 52.21 H new ATOM 865 N THR A 52 -13.132 20.592 -3.213 1.00 72.12 N ATOM 866 CA THR A 52 -12.340 19.678 -2.400 1.00 32.10 C ATOM 867 C THR A 52 -11.647 18.632 -3.265 1.00 73.34 C ATOM 868 O THR A 52 -10.567 18.147 -2.927 1.00 40.42 O ATOM 869 CB THR A 52 -13.210 18.964 -1.349 1.00 33.53 C ATOM 870 OG1 THR A 52 -12.403 18.080 -0.563 1.00 23.01 O ATOM 871 CG2 THR A 52 -14.329 18.178 -2.016 1.00 31.33 C ATOM 0 H THR A 52 -14.101 20.303 -3.350 1.00 72.12 H new ATOM 0 HA THR A 52 -11.588 20.280 -1.890 1.00 32.10 H new ATOM 0 HB THR A 52 -13.654 19.721 -0.703 1.00 33.53 H new ATOM 0 HG1 THR A 52 -12.964 17.631 0.104 1.00 23.01 H new ATOM 0 HG21 THR A 52 -14.930 17.682 -1.254 1.00 31.33 H new ATOM 0 HG22 THR A 52 -14.959 18.858 -2.590 1.00 31.33 H new ATOM 0 HG23 THR A 52 -13.901 17.430 -2.683 1.00 31.33 H new ATOM 879 N LYS A 53 -12.275 18.287 -4.385 1.00 23.33 N ATOM 880 CA LYS A 53 -11.718 17.299 -5.301 1.00 60.21 C ATOM 881 C LYS A 53 -11.060 17.977 -6.498 1.00 44.22 C ATOM 882 O LYS A 53 -10.086 17.468 -7.055 1.00 12.45 O ATOM 883 CB LYS A 53 -12.813 16.344 -5.781 1.00 53.03 C ATOM 884 CG LYS A 53 -13.585 15.686 -4.651 1.00 14.33 C ATOM 885 CD LYS A 53 -14.940 15.183 -5.120 1.00 32.33 C ATOM 886 CE LYS A 53 -14.882 13.716 -5.518 1.00 73.01 C ATOM 887 NZ LYS A 53 -16.194 13.038 -5.329 1.00 33.43 N ATOM 0 H LYS A 53 -13.170 18.677 -4.680 1.00 23.33 H new ATOM 0 HA LYS A 53 -10.958 16.731 -4.765 1.00 60.21 H new ATOM 0 HB2 LYS A 53 -13.510 16.893 -6.414 1.00 53.03 H new ATOM 0 HB3 LYS A 53 -12.362 15.569 -6.401 1.00 53.03 H new ATOM 0 HG2 LYS A 53 -13.006 14.854 -4.250 1.00 14.33 H new ATOM 0 HG3 LYS A 53 -13.722 16.400 -3.839 1.00 14.33 H new ATOM 0 HD2 LYS A 53 -15.674 15.317 -4.325 1.00 32.33 H new ATOM 0 HD3 LYS A 53 -15.277 15.778 -5.969 1.00 32.33 H new ATOM 0 HE2 LYS A 53 -14.578 13.635 -6.562 1.00 73.01 H new ATOM 0 HE3 LYS A 53 -14.122 13.208 -4.924 1.00 73.01 H new ATOM 0 HZ1 LYS A 53 -16.081 12.015 -5.480 1.00 33.43 H new ATOM 0 HZ2 LYS A 53 -16.537 13.209 -4.362 1.00 33.43 H new ATOM 0 HZ3 LYS A 53 -16.881 13.415 -6.012 1.00 33.43 H new ATOM 901 N TYR A 54 -11.596 19.128 -6.889 1.00 3.25 N ATOM 902 CA TYR A 54 -11.061 19.876 -8.020 1.00 65.33 C ATOM 903 C TYR A 54 -10.759 21.319 -7.627 1.00 32.44 C ATOM 904 O TYR A 54 -10.836 22.228 -8.451 1.00 52.24 O ATOM 905 CB TYR A 54 -12.048 19.850 -9.188 1.00 63.44 C ATOM 906 CG TYR A 54 -12.713 18.507 -9.389 1.00 63.42 C ATOM 907 CD1 TYR A 54 -13.858 18.164 -8.681 1.00 71.10 C ATOM 908 CD2 TYR A 54 -12.195 17.580 -10.286 1.00 55.10 C ATOM 909 CE1 TYR A 54 -14.469 16.938 -8.861 1.00 22.24 C ATOM 910 CE2 TYR A 54 -12.800 16.352 -10.473 1.00 53.41 C ATOM 911 CZ TYR A 54 -13.937 16.036 -9.758 1.00 65.21 C ATOM 912 OH TYR A 54 -14.541 14.813 -9.941 1.00 12.25 O ATOM 0 H TYR A 54 -12.401 19.563 -6.439 1.00 3.25 H new ATOM 0 HA TYR A 54 -10.130 19.401 -8.328 1.00 65.33 H new ATOM 0 HB2 TYR A 54 -12.816 20.605 -9.020 1.00 63.44 H new ATOM 0 HB3 TYR A 54 -11.523 20.127 -10.102 1.00 63.44 H new ATOM 0 HD1 TYR A 54 -14.278 18.868 -7.978 1.00 71.10 H new ATOM 0 HD2 TYR A 54 -11.304 17.824 -10.846 1.00 55.10 H new ATOM 0 HE1 TYR A 54 -15.359 16.687 -8.302 1.00 22.24 H new ATOM 0 HE2 TYR A 54 -12.385 15.644 -11.175 1.00 53.41 H new ATOM 0 HH TYR A 54 -14.041 14.298 -10.608 1.00 12.25 H new ATOM 922 N GLY A 55 -10.415 21.520 -6.358 1.00 64.42 N ATOM 923 CA GLY A 55 -10.106 22.853 -5.876 1.00 30.03 C ATOM 924 C GLY A 55 -9.089 23.564 -6.746 1.00 62.43 C ATOM 925 O GLY A 55 -9.020 24.793 -6.755 1.00 60.21 O ATOM 0 H GLY A 55 -10.345 20.783 -5.656 1.00 64.42 H new ATOM 0 HA2 GLY A 55 -11.022 23.443 -5.837 1.00 30.03 H new ATOM 0 HA3 GLY A 55 -9.725 22.788 -4.857 1.00 30.03 H new ATOM 929 N ASP A 56 -8.296 22.789 -7.479 1.00 10.40 N ATOM 930 CA ASP A 56 -7.277 23.352 -8.357 1.00 5.22 C ATOM 931 C ASP A 56 -7.908 24.242 -9.423 1.00 12.24 C ATOM 932 O ASP A 56 -7.528 25.403 -9.583 1.00 65.41 O ATOM 933 CB ASP A 56 -6.471 22.234 -9.020 1.00 43.22 C ATOM 934 CG ASP A 56 -4.979 22.387 -8.800 1.00 24.11 C ATOM 935 OD1 ASP A 56 -4.550 22.404 -7.627 1.00 14.24 O ATOM 936 OD2 ASP A 56 -4.239 22.488 -9.801 1.00 2.24 O ATOM 0 H ASP A 56 -8.340 21.770 -7.482 1.00 10.40 H new ATOM 0 HA ASP A 56 -6.608 23.962 -7.751 1.00 5.22 H new ATOM 0 HB2 ASP A 56 -6.797 21.272 -8.625 1.00 43.22 H new ATOM 0 HB3 ASP A 56 -6.679 22.226 -10.090 1.00 43.22 H new ATOM 941 N LEU A 57 -8.874 23.691 -10.149 1.00 51.34 N ATOM 942 CA LEU A 57 -9.559 24.435 -11.202 1.00 24.35 C ATOM 943 C LEU A 57 -10.680 25.291 -10.622 1.00 3.42 C ATOM 944 O LEU A 57 -10.959 26.384 -11.116 1.00 10.04 O ATOM 945 CB LEU A 57 -10.125 23.473 -12.247 1.00 72.41 C ATOM 946 CG LEU A 57 -10.522 22.086 -11.738 1.00 40.34 C ATOM 947 CD1 LEU A 57 -11.728 21.563 -12.502 1.00 35.41 C ATOM 948 CD2 LEU A 57 -9.353 21.120 -11.857 1.00 63.32 C ATOM 0 H LEU A 57 -9.201 22.732 -10.029 1.00 51.34 H new ATOM 0 HA LEU A 57 -8.833 25.094 -11.679 1.00 24.35 H new ATOM 0 HB2 LEU A 57 -11.001 23.936 -12.701 1.00 72.41 H new ATOM 0 HB3 LEU A 57 -9.384 23.350 -13.037 1.00 72.41 H new ATOM 0 HG LEU A 57 -10.793 22.169 -10.685 1.00 40.34 H new ATOM 0 HD11 LEU A 57 -11.996 20.575 -12.127 1.00 35.41 H new ATOM 0 HD12 LEU A 57 -12.568 22.244 -12.366 1.00 35.41 H new ATOM 0 HD13 LEU A 57 -11.485 21.494 -13.562 1.00 35.41 H new ATOM 0 HD21 LEU A 57 -9.653 20.138 -11.490 1.00 63.32 H new ATOM 0 HD22 LEU A 57 -9.051 21.041 -12.901 1.00 63.32 H new ATOM 0 HD23 LEU A 57 -8.515 21.488 -11.265 1.00 63.32 H new ATOM 960 N VAL A 58 -11.318 24.789 -9.570 1.00 21.14 N ATOM 961 CA VAL A 58 -12.406 25.509 -8.920 1.00 13.31 C ATOM 962 C VAL A 58 -11.966 26.906 -8.497 1.00 45.21 C ATOM 963 O VAL A 58 -12.726 27.868 -8.606 1.00 35.13 O ATOM 964 CB VAL A 58 -12.923 24.750 -7.684 1.00 20.24 C ATOM 965 CG1 VAL A 58 -14.004 25.553 -6.977 1.00 34.41 C ATOM 966 CG2 VAL A 58 -13.441 23.376 -8.081 1.00 72.11 C ATOM 0 H VAL A 58 -11.100 23.886 -9.149 1.00 21.14 H new ATOM 0 HA VAL A 58 -13.211 25.590 -9.650 1.00 13.31 H new ATOM 0 HB VAL A 58 -12.094 24.614 -6.990 1.00 20.24 H new ATOM 0 HG11 VAL A 58 -14.357 25.000 -6.106 1.00 34.41 H new ATOM 0 HG12 VAL A 58 -13.595 26.511 -6.657 1.00 34.41 H new ATOM 0 HG13 VAL A 58 -14.836 25.724 -7.660 1.00 34.41 H new ATOM 0 HG21 VAL A 58 -13.802 22.854 -7.195 1.00 72.11 H new ATOM 0 HG22 VAL A 58 -14.257 23.487 -8.795 1.00 72.11 H new ATOM 0 HG23 VAL A 58 -12.635 22.801 -8.538 1.00 72.11 H new ATOM 976 N ASP A 59 -10.732 27.011 -8.015 1.00 70.42 N ATOM 977 CA ASP A 59 -10.188 28.291 -7.577 1.00 32.20 C ATOM 978 C ASP A 59 -9.696 29.108 -8.767 1.00 52.23 C ATOM 979 O ASP A 59 -9.107 30.176 -8.599 1.00 25.33 O ATOM 980 CB ASP A 59 -9.044 28.071 -6.586 1.00 33.32 C ATOM 981 CG ASP A 59 -9.540 27.844 -5.171 1.00 63.41 C ATOM 982 OD1 ASP A 59 -10.771 27.856 -4.965 1.00 71.21 O ATOM 983 OD2 ASP A 59 -8.696 27.655 -4.270 1.00 21.43 O ATOM 0 H ASP A 59 -10.090 26.225 -7.918 1.00 70.42 H new ATOM 0 HA ASP A 59 -10.985 28.846 -7.083 1.00 32.20 H new ATOM 0 HB2 ASP A 59 -8.453 27.212 -6.903 1.00 33.32 H new ATOM 0 HB3 ASP A 59 -8.382 28.937 -6.601 1.00 33.32 H new ATOM 988 N ASP A 60 -9.942 28.599 -9.970 1.00 5.44 N ATOM 989 CA ASP A 60 -9.524 29.282 -11.189 1.00 5.14 C ATOM 990 C ASP A 60 -10.732 29.673 -12.034 1.00 63.22 C ATOM 991 O ASP A 60 -10.636 30.529 -12.914 1.00 13.25 O ATOM 992 CB ASP A 60 -8.584 28.390 -12.001 1.00 45.43 C ATOM 993 CG ASP A 60 -8.037 29.092 -13.229 1.00 10.21 C ATOM 994 OD1 ASP A 60 -7.244 30.043 -13.065 1.00 31.43 O ATOM 995 OD2 ASP A 60 -8.403 28.692 -14.354 1.00 31.30 O ATOM 0 H ASP A 60 -10.428 27.716 -10.127 1.00 5.44 H new ATOM 0 HA ASP A 60 -8.994 30.191 -10.904 1.00 5.14 H new ATOM 0 HB2 ASP A 60 -7.755 28.070 -11.369 1.00 45.43 H new ATOM 0 HB3 ASP A 60 -9.117 27.490 -12.308 1.00 45.43 H new ATOM 1000 N PHE A 61 -11.867 29.038 -11.763 1.00 14.53 N ATOM 1001 CA PHE A 61 -13.094 29.318 -12.500 1.00 12.11 C ATOM 1002 C PHE A 61 -13.992 30.273 -11.719 1.00 13.10 C ATOM 1003 O PHE A 61 -14.370 31.333 -12.217 1.00 71.35 O ATOM 1004 CB PHE A 61 -13.846 28.018 -12.793 1.00 21.12 C ATOM 1005 CG PHE A 61 -15.161 28.229 -13.488 1.00 4.13 C ATOM 1006 CD1 PHE A 61 -15.213 28.409 -14.860 1.00 44.35 C ATOM 1007 CD2 PHE A 61 -16.344 28.248 -12.768 1.00 35.10 C ATOM 1008 CE1 PHE A 61 -16.421 28.604 -15.503 1.00 62.52 C ATOM 1009 CE2 PHE A 61 -17.556 28.441 -13.405 1.00 45.32 C ATOM 1010 CZ PHE A 61 -17.594 28.621 -14.774 1.00 63.52 C ATOM 0 H PHE A 61 -11.963 28.326 -11.039 1.00 14.53 H new ATOM 0 HA PHE A 61 -12.822 29.793 -13.443 1.00 12.11 H new ATOM 0 HB2 PHE A 61 -13.218 27.375 -13.409 1.00 21.12 H new ATOM 0 HB3 PHE A 61 -14.020 27.489 -11.856 1.00 21.12 H new ATOM 0 HD1 PHE A 61 -14.299 28.397 -15.435 1.00 44.35 H new ATOM 0 HD2 PHE A 61 -16.320 28.111 -11.697 1.00 35.10 H new ATOM 0 HE1 PHE A 61 -16.448 28.743 -16.574 1.00 62.52 H new ATOM 0 HE2 PHE A 61 -18.472 28.451 -12.833 1.00 45.32 H new ATOM 0 HZ PHE A 61 -18.539 28.775 -15.273 1.00 63.52 H new