USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=8 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+ -159:sc=-0.00812 (180deg=-0.31) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0161 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 30:sc= 0.144 USER MOD Single : A 33 LYS NZ :NH3+ 171:sc= -1.05 (180deg=-1.3) USER MOD Single : A 46 THR OG1 : rot -175:sc= -1.69 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.329 19.118 -16.722 1.00 62.11 N ATOM 248 CA GLU A 16 -9.051 20.277 -17.562 1.00 11.34 C ATOM 249 C GLU A 16 -9.403 21.572 -16.835 1.00 3.23 C ATOM 250 O GLU A 16 -8.520 22.338 -16.447 1.00 53.22 O ATOM 251 CB GLU A 16 -9.836 20.186 -18.872 1.00 31.22 C ATOM 252 CG GLU A 16 -8.954 20.146 -20.108 1.00 61.43 C ATOM 253 CD GLU A 16 -8.569 21.529 -20.596 1.00 12.03 C ATOM 254 OE1 GLU A 16 -8.330 22.413 -19.747 1.00 33.34 O ATOM 255 OE2 GLU A 16 -8.507 21.727 -21.827 1.00 41.33 O ATOM 0 HA GLU A 16 -7.984 20.284 -17.786 1.00 11.34 H new ATOM 0 HB2 GLU A 16 -10.459 19.292 -18.851 1.00 31.22 H new ATOM 0 HB3 GLU A 16 -10.508 21.041 -18.943 1.00 31.22 H new ATOM 0 HG2 GLU A 16 -8.050 19.579 -19.886 1.00 61.43 H new ATOM 0 HG3 GLU A 16 -9.476 19.616 -20.905 1.00 61.43 H new ATOM 262 N ARG A 17 -10.698 21.809 -16.654 1.00 42.51 N ATOM 263 CA ARG A 17 -11.167 23.012 -15.976 1.00 21.32 C ATOM 264 C ARG A 17 -12.679 22.967 -15.773 1.00 63.14 C ATOM 265 O ARG A 17 -13.373 22.159 -16.390 1.00 35.52 O ATOM 266 CB ARG A 17 -10.786 24.257 -16.778 1.00 42.31 C ATOM 267 CG ARG A 17 -11.833 24.667 -17.801 1.00 1.13 C ATOM 268 CD ARG A 17 -12.108 23.550 -18.795 1.00 22.31 C ATOM 269 NE ARG A 17 -12.299 24.058 -20.151 1.00 14.15 N ATOM 270 CZ ARG A 17 -11.308 24.498 -20.918 1.00 20.34 C ATOM 271 NH1 ARG A 17 -10.062 24.491 -20.465 1.00 22.43 N ATOM 272 NH2 ARG A 17 -11.562 24.945 -22.141 1.00 10.14 N ATOM 0 H ARG A 17 -11.441 21.184 -16.967 1.00 42.51 H new ATOM 0 HA ARG A 17 -10.688 23.058 -14.998 1.00 21.32 H new ATOM 0 HB2 ARG A 17 -10.619 25.085 -16.089 1.00 42.31 H new ATOM 0 HB3 ARG A 17 -9.842 24.074 -17.291 1.00 42.31 H new ATOM 0 HG2 ARG A 17 -12.757 24.936 -17.290 1.00 1.13 H new ATOM 0 HG3 ARG A 17 -11.494 25.555 -18.335 1.00 1.13 H new ATOM 0 HD2 ARG A 17 -11.277 22.844 -18.786 1.00 22.31 H new ATOM 0 HD3 ARG A 17 -12.997 23.000 -18.485 1.00 22.31 H new ATOM 0 HE ARG A 17 -13.246 24.076 -20.530 1.00 14.15 H new ATOM 0 HH11 ARG A 17 -9.863 24.147 -19.526 1.00 22.43 H new ATOM 0 HH12 ARG A 17 -9.303 24.829 -21.056 1.00 22.43 H new ATOM 0 HH21 ARG A 17 -12.519 24.951 -22.493 1.00 10.14 H new ATOM 0 HH22 ARG A 17 -10.800 25.283 -22.729 1.00 10.14 H new ATOM 286 N ILE A 18 -13.180 23.840 -14.906 1.00 73.40 N ATOM 287 CA ILE A 18 -14.609 23.900 -14.623 1.00 61.42 C ATOM 288 C ILE A 18 -15.381 24.462 -15.812 1.00 14.14 C ATOM 289 O ILE A 18 -15.274 25.646 -16.132 1.00 20.04 O ATOM 290 CB ILE A 18 -14.901 24.762 -13.381 1.00 32.31 C ATOM 291 CG1 ILE A 18 -14.068 24.280 -12.191 1.00 70.14 C ATOM 292 CG2 ILE A 18 -16.385 24.722 -13.046 1.00 43.40 C ATOM 293 CD1 ILE A 18 -14.674 23.097 -11.469 1.00 64.43 C ATOM 0 H ILE A 18 -12.618 24.515 -14.387 1.00 73.40 H new ATOM 0 HA ILE A 18 -14.936 22.878 -14.430 1.00 61.42 H new ATOM 0 HB ILE A 18 -14.625 25.794 -13.600 1.00 32.31 H new ATOM 0 HG12 ILE A 18 -13.072 24.010 -12.541 1.00 70.14 H new ATOM 0 HG13 ILE A 18 -13.947 25.102 -11.486 1.00 70.14 H new ATOM 0 HG21 ILE A 18 -16.576 25.336 -12.166 1.00 43.40 H new ATOM 0 HG22 ILE A 18 -16.959 25.107 -13.889 1.00 43.40 H new ATOM 0 HG23 ILE A 18 -16.685 23.694 -12.843 1.00 43.40 H new ATOM 0 HD11 ILE A 18 -14.030 22.810 -10.638 1.00 64.43 H new ATOM 0 HD12 ILE A 18 -15.659 23.368 -11.089 1.00 64.43 H new ATOM 0 HD13 ILE A 18 -14.770 22.259 -12.160 1.00 64.43 H new ATOM 305 N VAL A 19 -16.162 23.605 -16.462 1.00 14.21 N ATOM 306 CA VAL A 19 -16.956 24.017 -17.614 1.00 32.24 C ATOM 307 C VAL A 19 -17.934 25.125 -17.239 1.00 71.14 C ATOM 308 O VAL A 19 -17.943 26.192 -17.853 1.00 75.13 O ATOM 309 CB VAL A 19 -17.742 22.832 -18.206 1.00 31.12 C ATOM 310 CG1 VAL A 19 -18.370 23.219 -19.536 1.00 62.12 C ATOM 311 CG2 VAL A 19 -16.837 21.620 -18.366 1.00 71.24 C ATOM 0 H VAL A 19 -16.262 22.622 -16.211 1.00 14.21 H new ATOM 0 HA VAL A 19 -16.258 24.391 -18.363 1.00 32.24 H new ATOM 0 HB VAL A 19 -18.544 22.569 -17.516 1.00 31.12 H new ATOM 0 HG11 VAL A 19 -18.921 22.369 -19.939 1.00 62.12 H new ATOM 0 HG12 VAL A 19 -19.052 24.056 -19.386 1.00 62.12 H new ATOM 0 HG13 VAL A 19 -17.588 23.509 -20.237 1.00 62.12 H new ATOM 0 HG21 VAL A 19 -17.409 20.792 -18.785 1.00 71.24 H new ATOM 0 HG22 VAL A 19 -16.012 21.867 -19.035 1.00 71.24 H new ATOM 0 HG23 VAL A 19 -16.441 21.331 -17.393 1.00 71.24 H new ATOM 321 N ARG A 20 -18.756 24.865 -16.228 1.00 22.42 N ATOM 322 CA ARG A 20 -19.739 25.840 -15.772 1.00 22.14 C ATOM 323 C ARG A 20 -20.255 25.482 -14.381 1.00 72.31 C ATOM 324 O ARG A 20 -19.751 24.561 -13.738 1.00 32.04 O ATOM 325 CB ARG A 20 -20.907 25.918 -16.757 1.00 24.43 C ATOM 326 CG ARG A 20 -21.628 24.594 -16.951 1.00 54.23 C ATOM 327 CD ARG A 20 -21.183 23.899 -18.228 1.00 43.23 C ATOM 328 NE ARG A 20 -22.302 23.642 -19.131 1.00 22.03 N ATOM 329 CZ ARG A 20 -22.815 24.558 -19.945 1.00 30.24 C ATOM 330 NH1 ARG A 20 -22.312 25.784 -19.969 1.00 42.23 N ATOM 331 NH2 ARG A 20 -23.834 24.247 -20.736 1.00 45.44 N ATOM 0 H ARG A 20 -18.761 23.987 -15.709 1.00 22.42 H new ATOM 0 HA ARG A 20 -19.251 26.813 -15.720 1.00 22.14 H new ATOM 0 HB2 ARG A 20 -21.620 26.662 -16.404 1.00 24.43 H new ATOM 0 HB3 ARG A 20 -20.536 26.265 -17.721 1.00 24.43 H new ATOM 0 HG2 ARG A 20 -21.436 23.945 -16.096 1.00 54.23 H new ATOM 0 HG3 ARG A 20 -22.704 24.766 -16.985 1.00 54.23 H new ATOM 0 HD2 ARG A 20 -20.441 24.515 -18.736 1.00 43.23 H new ATOM 0 HD3 ARG A 20 -20.696 22.957 -17.977 1.00 43.23 H new ATOM 0 HE ARG A 20 -22.712 22.708 -19.137 1.00 22.03 H new ATOM 0 HH11 ARG A 20 -21.529 26.026 -19.362 1.00 42.23 H new ATOM 0 HH12 ARG A 20 -22.708 26.485 -20.595 1.00 42.23 H new ATOM 0 HH21 ARG A 20 -24.224 23.304 -20.719 1.00 45.44 H new ATOM 0 HH22 ARG A 20 -24.228 24.950 -21.361 1.00 45.44 H new ATOM 345 N LYS A 21 -21.263 26.216 -13.923 1.00 34.11 N ATOM 346 CA LYS A 21 -21.850 25.977 -12.610 1.00 23.45 C ATOM 347 C LYS A 21 -23.302 26.443 -12.569 1.00 24.52 C ATOM 348 O LYS A 21 -23.720 27.276 -13.373 1.00 71.50 O ATOM 349 CB LYS A 21 -21.041 26.697 -11.528 1.00 52.23 C ATOM 350 CG LYS A 21 -21.169 28.210 -11.580 1.00 61.21 C ATOM 351 CD LYS A 21 -20.644 28.858 -10.310 1.00 23.41 C ATOM 352 CE LYS A 21 -21.528 30.013 -9.866 1.00 74.53 C ATOM 353 NZ LYS A 21 -21.770 30.982 -10.971 1.00 35.33 N ATOM 0 H LYS A 21 -21.691 26.982 -14.442 1.00 34.11 H new ATOM 0 HA LYS A 21 -21.826 24.904 -12.419 1.00 23.45 H new ATOM 0 HB2 LYS A 21 -21.367 26.346 -10.549 1.00 52.23 H new ATOM 0 HB3 LYS A 21 -19.990 26.426 -11.630 1.00 52.23 H new ATOM 0 HG2 LYS A 21 -20.619 28.593 -12.439 1.00 61.21 H new ATOM 0 HG3 LYS A 21 -22.214 28.483 -11.723 1.00 61.21 H new ATOM 0 HD2 LYS A 21 -20.591 28.113 -9.516 1.00 23.41 H new ATOM 0 HD3 LYS A 21 -19.629 29.219 -10.477 1.00 23.41 H new ATOM 0 HE2 LYS A 21 -22.481 29.624 -9.508 1.00 74.53 H new ATOM 0 HE3 LYS A 21 -21.059 30.528 -9.027 1.00 74.53 H new ATOM 0 HZ1 LYS A 21 -22.055 31.899 -10.572 1.00 35.33 H new ATOM 0 HZ2 LYS A 21 -20.898 31.101 -11.525 1.00 35.33 H new ATOM 0 HZ3 LYS A 21 -22.526 30.623 -11.588 1.00 35.33 H new ATOM 367 N LYS A 22 -24.066 25.901 -11.626 1.00 63.03 N ATOM 368 CA LYS A 22 -25.470 26.263 -11.478 1.00 34.30 C ATOM 369 C LYS A 22 -26.048 25.683 -10.191 1.00 14.43 C ATOM 370 O LYS A 22 -25.709 24.568 -9.794 1.00 4.43 O ATOM 371 CB LYS A 22 -26.276 25.765 -12.680 1.00 50.44 C ATOM 372 CG LYS A 22 -26.561 24.274 -12.647 1.00 21.12 C ATOM 373 CD LYS A 22 -27.993 23.989 -12.225 1.00 64.02 C ATOM 374 CE LYS A 22 -28.810 23.421 -13.375 1.00 62.24 C ATOM 375 NZ LYS A 22 -30.205 23.105 -12.962 1.00 11.14 N ATOM 0 H LYS A 22 -23.736 25.209 -10.953 1.00 63.03 H new ATOM 0 HA LYS A 22 -25.536 27.350 -11.429 1.00 34.30 H new ATOM 0 HB2 LYS A 22 -27.221 26.306 -12.722 1.00 50.44 H new ATOM 0 HB3 LYS A 22 -25.732 26.002 -13.594 1.00 50.44 H new ATOM 0 HG2 LYS A 22 -26.379 23.846 -13.633 1.00 21.12 H new ATOM 0 HG3 LYS A 22 -25.873 23.786 -11.956 1.00 21.12 H new ATOM 0 HD2 LYS A 22 -27.995 23.285 -11.393 1.00 64.02 H new ATOM 0 HD3 LYS A 22 -28.457 24.908 -11.866 1.00 64.02 H new ATOM 0 HE2 LYS A 22 -28.828 24.138 -14.196 1.00 62.24 H new ATOM 0 HE3 LYS A 22 -28.329 22.518 -13.751 1.00 62.24 H new ATOM 0 HZ1 LYS A 22 -30.729 22.720 -13.774 1.00 11.14 H new ATOM 0 HZ2 LYS A 22 -30.189 22.402 -12.196 1.00 11.14 H new ATOM 0 HZ3 LYS A 22 -30.673 23.972 -12.627 1.00 11.14 H new ATOM 389 N ILE A 23 -26.924 26.446 -9.545 1.00 4.43 N ATOM 390 CA ILE A 23 -27.550 26.007 -8.304 1.00 71.22 C ATOM 391 C ILE A 23 -29.006 25.616 -8.532 1.00 53.02 C ATOM 392 O ILE A 23 -29.674 26.154 -9.416 1.00 64.51 O ATOM 393 CB ILE A 23 -27.487 27.102 -7.223 1.00 34.20 C ATOM 394 CG1 ILE A 23 -28.616 28.115 -7.426 1.00 31.42 C ATOM 395 CG2 ILE A 23 -26.134 27.796 -7.250 1.00 40.23 C ATOM 396 CD1 ILE A 23 -29.857 27.806 -6.618 1.00 12.10 C ATOM 0 H ILE A 23 -27.216 27.371 -9.861 1.00 4.43 H new ATOM 0 HA ILE A 23 -26.992 25.136 -7.960 1.00 71.22 H new ATOM 0 HB ILE A 23 -27.614 26.635 -6.246 1.00 34.20 H new ATOM 0 HG12 ILE A 23 -28.255 29.108 -7.157 1.00 31.42 H new ATOM 0 HG13 ILE A 23 -28.879 28.147 -8.483 1.00 31.42 H new ATOM 0 HG21 ILE A 23 -26.105 28.567 -6.480 1.00 40.23 H new ATOM 0 HG22 ILE A 23 -25.347 27.066 -7.062 1.00 40.23 H new ATOM 0 HG23 ILE A 23 -25.979 28.253 -8.227 1.00 40.23 H new ATOM 0 HD11 ILE A 23 -30.615 28.565 -6.811 1.00 12.10 H new ATOM 0 HD12 ILE A 23 -30.242 26.827 -6.903 1.00 12.10 H new ATOM 0 HD13 ILE A 23 -29.609 27.803 -5.557 1.00 12.10 H new ATOM 408 N VAL A 24 -29.494 24.677 -7.727 1.00 55.43 N ATOM 409 CA VAL A 24 -30.873 24.216 -7.839 1.00 11.12 C ATOM 410 C VAL A 24 -31.521 24.083 -6.465 1.00 41.42 C ATOM 411 O VAL A 24 -31.021 23.366 -5.598 1.00 34.21 O ATOM 412 CB VAL A 24 -30.954 22.861 -8.566 1.00 34.32 C ATOM 413 CG1 VAL A 24 -32.222 22.778 -9.402 1.00 15.13 C ATOM 414 CG2 VAL A 24 -29.721 22.645 -9.430 1.00 52.41 C ATOM 0 H VAL A 24 -28.955 24.221 -6.991 1.00 55.43 H new ATOM 0 HA VAL A 24 -31.411 24.965 -8.420 1.00 11.12 H new ATOM 0 HB VAL A 24 -30.988 22.069 -7.818 1.00 34.32 H new ATOM 0 HG11 VAL A 24 -32.262 21.813 -9.908 1.00 15.13 H new ATOM 0 HG12 VAL A 24 -33.092 22.884 -8.754 1.00 15.13 H new ATOM 0 HG13 VAL A 24 -32.222 23.577 -10.143 1.00 15.13 H new ATOM 0 HG21 VAL A 24 -29.795 21.683 -9.936 1.00 52.41 H new ATOM 0 HG22 VAL A 24 -29.653 23.441 -10.172 1.00 52.41 H new ATOM 0 HG23 VAL A 24 -28.830 22.657 -8.802 1.00 52.41 H new ATOM 424 N HIS A 25 -32.637 24.780 -6.273 1.00 60.45 N ATOM 425 CA HIS A 25 -33.355 24.739 -5.005 1.00 31.25 C ATOM 426 C HIS A 25 -32.436 25.121 -3.848 1.00 15.31 C ATOM 427 O HIS A 25 -32.671 24.738 -2.703 1.00 33.12 O ATOM 428 CB HIS A 25 -33.938 23.345 -4.769 1.00 1.12 C ATOM 429 CG HIS A 25 -35.348 23.363 -4.265 1.00 12.01 C ATOM 430 ND1 HIS A 25 -35.694 23.825 -3.012 1.00 71.54 N ATOM 431 CD2 HIS A 25 -36.504 22.974 -4.853 1.00 44.33 C ATOM 432 CE1 HIS A 25 -37.001 23.717 -2.851 1.00 41.25 C ATOM 433 NE2 HIS A 25 -37.516 23.204 -3.954 1.00 42.44 N ATOM 0 H HIS A 25 -33.063 25.380 -6.980 1.00 60.45 H new ATOM 0 HA HIS A 25 -34.170 25.462 -5.054 1.00 31.25 H new ATOM 0 HB2 HIS A 25 -33.901 22.782 -5.702 1.00 1.12 H new ATOM 0 HB3 HIS A 25 -33.311 22.815 -4.052 1.00 1.12 H new ATOM 0 HD2 HIS A 25 -36.610 22.560 -5.845 1.00 44.33 H new ATOM 0 HE1 HIS A 25 -37.554 24.000 -1.968 1.00 41.25 H new ATOM 0 HE2 HIS A 25 -38.505 23.010 -4.112 1.00 42.44 H new ATOM 441 N GLY A 26 -31.388 25.879 -4.156 1.00 54.33 N ATOM 442 CA GLY A 26 -30.450 26.300 -3.132 1.00 71.13 C ATOM 443 C GLY A 26 -29.246 25.384 -3.038 1.00 43.43 C ATOM 444 O GLY A 26 -28.479 25.453 -2.079 1.00 2.42 O ATOM 0 H GLY A 26 -31.172 26.209 -5.097 1.00 54.33 H new ATOM 0 HA2 GLY A 26 -30.115 27.315 -3.346 1.00 71.13 H new ATOM 0 HA3 GLY A 26 -30.958 26.328 -2.168 1.00 71.13 H new ATOM 448 N ASN A 27 -29.080 24.523 -4.037 1.00 3.12 N ATOM 449 CA ASN A 27 -27.961 23.588 -4.061 1.00 62.14 C ATOM 450 C ASN A 27 -27.029 23.885 -5.232 1.00 50.23 C ATOM 451 O ASN A 27 -27.350 23.596 -6.385 1.00 71.25 O ATOM 452 CB ASN A 27 -28.473 22.149 -4.156 1.00 14.45 C ATOM 453 CG ASN A 27 -29.357 21.772 -2.982 1.00 41.50 C ATOM 454 OD1 ASN A 27 -30.557 21.551 -3.141 1.00 35.24 O ATOM 455 ND2 ASN A 27 -28.765 21.698 -1.796 1.00 2.53 N ATOM 0 H ASN A 27 -29.705 24.453 -4.840 1.00 3.12 H new ATOM 0 HA ASN A 27 -27.401 23.707 -3.134 1.00 62.14 H new ATOM 0 HB2 ASN A 27 -29.033 22.026 -5.083 1.00 14.45 H new ATOM 0 HB3 ASN A 27 -27.624 21.466 -4.203 1.00 14.45 H new ATOM 0 HD21 ASN A 27 -29.308 21.449 -0.969 1.00 2.53 H new ATOM 0 HD22 ASN A 27 -27.767 21.890 -1.711 1.00 2.53 H new ATOM 462 N THR A 28 -25.872 24.465 -4.928 1.00 62.13 N ATOM 463 CA THR A 28 -24.893 24.802 -5.954 1.00 52.13 C ATOM 464 C THR A 28 -24.307 23.546 -6.589 1.00 1.31 C ATOM 465 O THR A 28 -24.118 22.531 -5.919 1.00 3.11 O ATOM 466 CB THR A 28 -23.747 25.656 -5.379 1.00 33.43 C ATOM 467 OG1 THR A 28 -24.257 26.557 -4.389 1.00 61.33 O ATOM 468 CG2 THR A 28 -23.053 26.443 -6.480 1.00 14.22 C ATOM 0 H THR A 28 -25.590 24.711 -3.979 1.00 62.13 H new ATOM 0 HA THR A 28 -25.419 25.379 -6.715 1.00 52.13 H new ATOM 0 HB THR A 28 -23.019 24.987 -4.920 1.00 33.43 H new ATOM 0 HG1 THR A 28 -23.522 27.095 -4.027 1.00 61.33 H new ATOM 0 HG21 THR A 28 -22.248 27.038 -6.050 1.00 14.22 H new ATOM 0 HG22 THR A 28 -22.641 25.753 -7.216 1.00 14.22 H new ATOM 0 HG23 THR A 28 -23.773 27.103 -6.965 1.00 14.22 H new ATOM 476 N SER A 29 -24.020 23.622 -7.885 1.00 13.04 N ATOM 477 CA SER A 29 -23.458 22.489 -8.611 1.00 2.44 C ATOM 478 C SER A 29 -22.417 22.956 -9.623 1.00 44.23 C ATOM 479 O SER A 29 -22.676 23.849 -10.430 1.00 42.41 O ATOM 480 CB SER A 29 -24.566 21.712 -9.323 1.00 72.01 C ATOM 481 OG SER A 29 -25.649 21.450 -8.448 1.00 14.52 O ATOM 0 H SER A 29 -24.167 24.456 -8.453 1.00 13.04 H new ATOM 0 HA SER A 29 -22.970 21.833 -7.890 1.00 2.44 H new ATOM 0 HB2 SER A 29 -24.919 22.281 -10.183 1.00 72.01 H new ATOM 0 HB3 SER A 29 -24.168 20.772 -9.705 1.00 72.01 H new ATOM 0 HG SER A 29 -26.345 20.954 -8.928 1.00 14.52 H new ATOM 487 N TYR A 30 -21.238 22.345 -9.575 1.00 10.55 N ATOM 488 CA TYR A 30 -20.156 22.699 -10.485 1.00 44.12 C ATOM 489 C TYR A 30 -19.962 21.620 -11.547 1.00 14.34 C ATOM 490 O TYR A 30 -19.662 20.468 -11.231 1.00 1.33 O ATOM 491 CB TYR A 30 -18.854 22.905 -9.708 1.00 71.05 C ATOM 492 CG TYR A 30 -18.723 24.284 -9.102 1.00 65.21 C ATOM 493 CD1 TYR A 30 -19.741 24.822 -8.325 1.00 2.31 C ATOM 494 CD2 TYR A 30 -17.581 25.049 -9.307 1.00 62.50 C ATOM 495 CE1 TYR A 30 -19.625 26.082 -7.769 1.00 74.13 C ATOM 496 CE2 TYR A 30 -17.456 26.308 -8.754 1.00 52.33 C ATOM 497 CZ TYR A 30 -18.481 26.821 -7.986 1.00 71.35 C ATOM 498 OH TYR A 30 -18.361 28.076 -7.435 1.00 73.13 O ATOM 0 H TYR A 30 -21.008 21.602 -8.915 1.00 10.55 H new ATOM 0 HA TYR A 30 -20.425 23.630 -10.984 1.00 44.12 H new ATOM 0 HB2 TYR A 30 -18.793 22.161 -8.914 1.00 71.05 H new ATOM 0 HB3 TYR A 30 -18.010 22.729 -10.375 1.00 71.05 H new ATOM 0 HD1 TYR A 30 -20.638 24.246 -8.152 1.00 2.31 H new ATOM 0 HD2 TYR A 30 -16.777 24.652 -9.909 1.00 62.50 H new ATOM 0 HE1 TYR A 30 -20.426 26.486 -7.168 1.00 74.13 H new ATOM 0 HE2 TYR A 30 -16.561 26.888 -8.922 1.00 52.33 H new ATOM 0 HH TYR A 30 -18.868 28.115 -6.597 1.00 73.13 H new ATOM 508 N LEU A 31 -20.136 22.002 -12.807 1.00 54.10 N ATOM 509 CA LEU A 31 -19.981 21.069 -13.918 1.00 3.05 C ATOM 510 C LEU A 31 -18.570 21.137 -14.493 1.00 3.44 C ATOM 511 O LEU A 31 -18.178 22.142 -15.087 1.00 10.13 O ATOM 512 CB LEU A 31 -21.005 21.373 -15.012 1.00 72.11 C ATOM 513 CG LEU A 31 -21.018 20.415 -16.204 1.00 31.01 C ATOM 514 CD1 LEU A 31 -21.137 18.975 -15.730 1.00 22.21 C ATOM 515 CD2 LEU A 31 -22.155 20.761 -17.154 1.00 53.10 C ATOM 0 H LEU A 31 -20.385 22.951 -13.085 1.00 54.10 H new ATOM 0 HA LEU A 31 -20.151 20.061 -13.540 1.00 3.05 H new ATOM 0 HB2 LEU A 31 -21.998 21.375 -14.562 1.00 72.11 H new ATOM 0 HB3 LEU A 31 -20.821 22.381 -15.384 1.00 72.11 H new ATOM 0 HG LEU A 31 -20.076 20.522 -16.742 1.00 31.01 H new ATOM 0 HD11 LEU A 31 -21.145 18.308 -16.592 1.00 22.21 H new ATOM 0 HD12 LEU A 31 -20.289 18.731 -15.090 1.00 22.21 H new ATOM 0 HD13 LEU A 31 -22.063 18.852 -15.168 1.00 22.21 H new ATOM 0 HD21 LEU A 31 -22.149 20.069 -17.996 1.00 53.10 H new ATOM 0 HD22 LEU A 31 -23.106 20.683 -16.627 1.00 53.10 H new ATOM 0 HD23 LEU A 31 -22.026 21.779 -17.520 1.00 53.10 H new ATOM 527 N VAL A 32 -17.810 20.061 -14.314 1.00 14.12 N ATOM 528 CA VAL A 32 -16.444 19.997 -14.818 1.00 3.33 C ATOM 529 C VAL A 32 -16.283 18.867 -15.828 1.00 42.34 C ATOM 530 O VAL A 32 -16.911 17.816 -15.706 1.00 73.32 O ATOM 531 CB VAL A 32 -15.432 19.796 -13.673 1.00 75.35 C ATOM 532 CG1 VAL A 32 -15.568 18.402 -13.081 1.00 23.45 C ATOM 533 CG2 VAL A 32 -14.014 20.039 -14.167 1.00 73.34 C ATOM 0 H VAL A 32 -18.118 19.221 -13.823 1.00 14.12 H new ATOM 0 HA VAL A 32 -16.243 20.950 -15.308 1.00 3.33 H new ATOM 0 HB VAL A 32 -15.647 20.521 -12.888 1.00 75.35 H new ATOM 0 HG11 VAL A 32 -14.846 18.277 -12.274 1.00 23.45 H new ATOM 0 HG12 VAL A 32 -16.577 18.270 -12.689 1.00 23.45 H new ATOM 0 HG13 VAL A 32 -15.379 17.658 -13.855 1.00 23.45 H new ATOM 0 HG21 VAL A 32 -13.312 19.893 -13.346 1.00 73.34 H new ATOM 0 HG22 VAL A 32 -13.784 19.339 -14.970 1.00 73.34 H new ATOM 0 HG23 VAL A 32 -13.928 21.060 -14.540 1.00 73.34 H new ATOM 543 N LYS A 33 -15.436 19.091 -16.828 1.00 20.15 N ATOM 544 CA LYS A 33 -15.189 18.092 -17.860 1.00 74.53 C ATOM 545 C LYS A 33 -14.029 17.181 -17.471 1.00 0.43 C ATOM 546 O LYS A 33 -13.531 17.242 -16.347 1.00 32.15 O ATOM 547 CB LYS A 33 -14.890 18.773 -19.197 1.00 53.14 C ATOM 548 CG LYS A 33 -13.793 19.820 -19.115 1.00 25.54 C ATOM 549 CD LYS A 33 -13.476 20.405 -20.481 1.00 10.05 C ATOM 550 CE LYS A 33 -14.189 21.731 -20.698 1.00 35.33 C ATOM 551 NZ LYS A 33 -15.524 21.545 -21.331 1.00 71.15 N ATOM 0 H LYS A 33 -14.909 19.957 -16.945 1.00 20.15 H new ATOM 0 HA LYS A 33 -16.087 17.483 -17.962 1.00 74.53 H new ATOM 0 HB2 LYS A 33 -14.603 18.014 -19.925 1.00 53.14 H new ATOM 0 HB3 LYS A 33 -15.801 19.242 -19.568 1.00 53.14 H new ATOM 0 HG2 LYS A 33 -14.100 20.618 -18.439 1.00 25.54 H new ATOM 0 HG3 LYS A 33 -12.893 19.373 -18.692 1.00 25.54 H new ATOM 0 HD2 LYS A 33 -12.400 20.550 -20.575 1.00 10.05 H new ATOM 0 HD3 LYS A 33 -13.772 19.700 -21.258 1.00 10.05 H new ATOM 0 HE2 LYS A 33 -14.308 22.240 -19.742 1.00 35.33 H new ATOM 0 HE3 LYS A 33 -13.575 22.375 -21.328 1.00 35.33 H new ATOM 0 HZ1 LYS A 33 -16.040 22.448 -21.324 1.00 71.15 H new ATOM 0 HZ2 LYS A 33 -15.401 21.224 -22.313 1.00 71.15 H new ATOM 0 HZ3 LYS A 33 -16.064 20.833 -20.799 1.00 71.15 H new ATOM 565 N TRP A 34 -13.603 16.341 -18.406 1.00 43.04 N ATOM 566 CA TRP A 34 -12.499 15.419 -18.160 1.00 53.45 C ATOM 567 C TRP A 34 -11.399 15.598 -19.200 1.00 43.14 C ATOM 568 O TRP A 34 -11.376 14.909 -20.220 1.00 54.15 O ATOM 569 CB TRP A 34 -13.002 13.975 -18.174 1.00 65.25 C ATOM 570 CG TRP A 34 -14.051 13.701 -17.140 1.00 71.32 C ATOM 571 CD1 TRP A 34 -14.186 14.313 -15.927 1.00 3.10 C ATOM 572 CD2 TRP A 34 -15.111 12.742 -17.228 1.00 52.41 C ATOM 573 NE1 TRP A 34 -15.266 13.793 -15.255 1.00 42.13 N ATOM 574 CE2 TRP A 34 -15.851 12.829 -16.032 1.00 61.34 C ATOM 575 CE3 TRP A 34 -15.509 11.822 -18.201 1.00 61.40 C ATOM 576 CZ2 TRP A 34 -16.963 12.028 -15.786 1.00 22.10 C ATOM 577 CZ3 TRP A 34 -16.613 11.027 -17.955 1.00 5.32 C ATOM 578 CH2 TRP A 34 -17.330 11.135 -16.756 1.00 23.12 C ATOM 0 H TRP A 34 -14.004 16.278 -19.342 1.00 43.04 H new ATOM 0 HA TRP A 34 -12.083 15.642 -17.177 1.00 53.45 H new ATOM 0 HB2 TRP A 34 -13.407 13.748 -19.160 1.00 65.25 H new ATOM 0 HB3 TRP A 34 -12.159 13.303 -18.013 1.00 65.25 H new ATOM 0 HD1 TRP A 34 -13.539 15.092 -15.551 1.00 3.10 H new ATOM 0 HE1 TRP A 34 -15.581 14.079 -14.328 1.00 42.13 H new ATOM 0 HE3 TRP A 34 -14.964 11.733 -19.129 1.00 61.40 H new ATOM 0 HZ2 TRP A 34 -17.517 12.109 -14.862 1.00 22.10 H new ATOM 0 HZ3 TRP A 34 -16.928 10.311 -18.699 1.00 5.32 H new ATOM 0 HH2 TRP A 34 -18.189 10.501 -16.594 1.00 23.12 H new ATOM 754 N GLU A 45 -20.541 18.220 -9.891 1.00 54.45 N ATOM 755 CA GLU A 45 -20.096 18.074 -8.511 1.00 13.24 C ATOM 756 C GLU A 45 -20.454 19.310 -7.690 1.00 11.11 C ATOM 757 O GLU A 45 -20.098 20.433 -8.049 1.00 11.01 O ATOM 758 CB GLU A 45 -18.586 17.835 -8.461 1.00 1.12 C ATOM 759 CG GLU A 45 -18.177 16.434 -8.883 1.00 51.14 C ATOM 760 CD GLU A 45 -17.875 15.533 -7.702 1.00 33.03 C ATOM 761 OE1 GLU A 45 -17.332 16.035 -6.696 1.00 25.31 O ATOM 762 OE2 GLU A 45 -18.183 14.325 -7.783 1.00 55.44 O ATOM 0 HA GLU A 45 -20.607 17.213 -8.081 1.00 13.24 H new ATOM 0 HB2 GLU A 45 -18.090 18.559 -9.108 1.00 1.12 H new ATOM 0 HB3 GLU A 45 -18.231 18.018 -7.447 1.00 1.12 H new ATOM 0 HG2 GLU A 45 -18.975 15.991 -9.478 1.00 51.14 H new ATOM 0 HG3 GLU A 45 -17.297 16.494 -9.524 1.00 51.14 H new ATOM 769 N THR A 46 -21.162 19.095 -6.585 1.00 43.21 N ATOM 770 CA THR A 46 -21.570 20.190 -5.714 1.00 23.12 C ATOM 771 C THR A 46 -20.418 21.158 -5.471 1.00 43.21 C ATOM 772 O THR A 46 -19.250 20.773 -5.526 1.00 52.53 O ATOM 773 CB THR A 46 -22.081 19.668 -4.358 1.00 30.02 C ATOM 774 OG1 THR A 46 -21.560 18.358 -4.109 1.00 60.42 O ATOM 775 CG2 THR A 46 -23.602 19.628 -4.332 1.00 5.02 C ATOM 0 H THR A 46 -21.464 18.172 -6.273 1.00 43.21 H new ATOM 0 HA THR A 46 -22.380 20.713 -6.223 1.00 23.12 H new ATOM 0 HB THR A 46 -21.738 20.349 -3.579 1.00 30.02 H new ATOM 0 HG1 THR A 46 -21.951 18.002 -3.284 1.00 60.42 H new ATOM 0 HG21 THR A 46 -23.940 19.256 -3.365 1.00 5.02 H new ATOM 0 HG22 THR A 46 -23.995 20.632 -4.492 1.00 5.02 H new ATOM 0 HG23 THR A 46 -23.962 18.967 -5.121 1.00 5.02 H new ATOM 783 N GLU A 47 -20.754 22.416 -5.202 1.00 33.33 N ATOM 784 CA GLU A 47 -19.746 23.439 -4.951 1.00 21.33 C ATOM 785 C GLU A 47 -18.868 23.057 -3.762 1.00 52.30 C ATOM 786 O GLU A 47 -17.736 23.524 -3.638 1.00 2.22 O ATOM 787 CB GLU A 47 -20.413 24.791 -4.693 1.00 2.41 C ATOM 788 CG GLU A 47 -19.495 25.807 -4.034 1.00 23.01 C ATOM 789 CD GLU A 47 -20.156 27.159 -3.851 1.00 11.20 C ATOM 790 OE1 GLU A 47 -20.090 27.983 -4.787 1.00 64.14 O ATOM 791 OE2 GLU A 47 -20.740 27.394 -2.772 1.00 63.23 O ATOM 0 H GLU A 47 -21.716 22.751 -5.152 1.00 33.33 H new ATOM 0 HA GLU A 47 -19.115 23.517 -5.837 1.00 21.33 H new ATOM 0 HB2 GLU A 47 -20.770 25.197 -5.639 1.00 2.41 H new ATOM 0 HB3 GLU A 47 -21.288 24.640 -4.060 1.00 2.41 H new ATOM 0 HG2 GLU A 47 -19.177 25.428 -3.063 1.00 23.01 H new ATOM 0 HG3 GLU A 47 -18.596 25.925 -4.639 1.00 23.01 H new ATOM 798 N ASP A 48 -19.399 22.207 -2.891 1.00 34.40 N ATOM 799 CA ASP A 48 -18.665 21.761 -1.712 1.00 55.31 C ATOM 800 C ASP A 48 -17.996 20.414 -1.966 1.00 1.24 C ATOM 801 O ASP A 48 -17.335 19.863 -1.085 1.00 41.03 O ATOM 802 CB ASP A 48 -19.604 21.660 -0.509 1.00 31.02 C ATOM 803 CG ASP A 48 -19.500 22.862 0.410 1.00 63.43 C ATOM 804 OD1 ASP A 48 -18.364 23.303 0.682 1.00 41.14 O ATOM 805 OD2 ASP A 48 -20.554 23.360 0.857 1.00 21.04 O ATOM 0 H ASP A 48 -20.336 21.812 -2.979 1.00 34.40 H new ATOM 0 HA ASP A 48 -17.890 22.496 -1.497 1.00 55.31 H new ATOM 0 HB2 ASP A 48 -20.631 21.563 -0.861 1.00 31.02 H new ATOM 0 HB3 ASP A 48 -19.373 20.755 0.053 1.00 31.02 H new ATOM 810 N ASP A 49 -18.173 19.890 -3.173 1.00 64.41 N ATOM 811 CA ASP A 49 -17.586 18.607 -3.543 1.00 23.22 C ATOM 812 C ASP A 49 -16.689 18.753 -4.768 1.00 62.51 C ATOM 813 O ASP A 49 -16.001 17.810 -5.162 1.00 32.24 O ATOM 814 CB ASP A 49 -18.685 17.580 -3.819 1.00 23.40 C ATOM 815 CG ASP A 49 -19.499 17.256 -2.582 1.00 21.02 C ATOM 816 OD1 ASP A 49 -19.271 17.900 -1.537 1.00 10.32 O ATOM 817 OD2 ASP A 49 -20.363 16.358 -2.658 1.00 74.32 O ATOM 0 H ASP A 49 -18.718 20.333 -3.912 1.00 64.41 H new ATOM 0 HA ASP A 49 -16.977 18.260 -2.709 1.00 23.22 H new ATOM 0 HB2 ASP A 49 -19.347 17.961 -4.596 1.00 23.40 H new ATOM 0 HB3 ASP A 49 -18.235 16.665 -4.204 1.00 23.40 H new ATOM 822 N ILE A 50 -16.702 19.939 -5.367 1.00 30.50 N ATOM 823 CA ILE A 50 -15.890 20.207 -6.547 1.00 60.13 C ATOM 824 C ILE A 50 -14.600 20.929 -6.174 1.00 42.13 C ATOM 825 O ILE A 50 -13.561 20.732 -6.806 1.00 14.32 O ATOM 826 CB ILE A 50 -16.659 21.053 -7.579 1.00 41.12 C ATOM 827 CG1 ILE A 50 -15.833 21.213 -8.857 1.00 61.22 C ATOM 828 CG2 ILE A 50 -17.008 22.413 -6.994 1.00 41.41 C ATOM 829 CD1 ILE A 50 -16.430 20.508 -10.055 1.00 34.12 C ATOM 0 H ILE A 50 -17.266 20.729 -5.054 1.00 30.50 H new ATOM 0 HA ILE A 50 -15.648 19.241 -6.990 1.00 60.13 H new ATOM 0 HB ILE A 50 -17.586 20.538 -7.830 1.00 41.12 H new ATOM 0 HG12 ILE A 50 -15.731 22.274 -9.084 1.00 61.22 H new ATOM 0 HG13 ILE A 50 -14.829 20.827 -8.682 1.00 61.22 H new ATOM 0 HG21 ILE A 50 -17.551 22.999 -7.735 1.00 41.41 H new ATOM 0 HG22 ILE A 50 -17.631 22.280 -6.109 1.00 41.41 H new ATOM 0 HG23 ILE A 50 -16.092 22.936 -6.718 1.00 41.41 H new ATOM 0 HD11 ILE A 50 -15.792 20.664 -10.925 1.00 34.12 H new ATOM 0 HD12 ILE A 50 -16.506 19.441 -9.848 1.00 34.12 H new ATOM 0 HD13 ILE A 50 -17.423 20.910 -10.257 1.00 34.12 H new ATOM 841 N ARG A 51 -14.673 21.765 -5.143 1.00 64.43 N ATOM 842 CA ARG A 51 -13.510 22.516 -4.685 1.00 53.03 C ATOM 843 C ARG A 51 -12.584 21.632 -3.855 1.00 50.03 C ATOM 844 O ARG A 51 -11.410 21.951 -3.664 1.00 21.41 O ATOM 845 CB ARG A 51 -13.952 23.727 -3.861 1.00 24.43 C ATOM 846 CG ARG A 51 -14.041 23.448 -2.369 1.00 74.42 C ATOM 847 CD ARG A 51 -15.185 22.498 -2.048 1.00 52.30 C ATOM 848 NE ARG A 51 -15.074 21.943 -0.702 1.00 11.22 N ATOM 849 CZ ARG A 51 -15.266 22.654 0.404 1.00 22.42 C ATOM 850 NH1 ARG A 51 -15.577 23.940 0.324 1.00 21.02 N ATOM 851 NH2 ARG A 51 -15.147 22.077 1.593 1.00 2.24 N ATOM 0 H ARG A 51 -15.525 21.939 -4.609 1.00 64.43 H new ATOM 0 HA ARG A 51 -12.963 22.862 -5.562 1.00 53.03 H new ATOM 0 HB2 ARG A 51 -13.251 24.545 -4.028 1.00 24.43 H new ATOM 0 HB3 ARG A 51 -14.925 24.063 -4.218 1.00 24.43 H new ATOM 0 HG2 ARG A 51 -13.101 23.019 -2.021 1.00 74.42 H new ATOM 0 HG3 ARG A 51 -14.182 24.385 -1.830 1.00 74.42 H new ATOM 0 HD2 ARG A 51 -16.133 23.027 -2.145 1.00 52.30 H new ATOM 0 HD3 ARG A 51 -15.197 21.686 -2.775 1.00 52.30 H new ATOM 0 HE ARG A 51 -14.836 20.956 -0.605 1.00 11.22 H new ATOM 0 HH11 ARG A 51 -15.670 24.387 -0.588 1.00 21.02 H new ATOM 0 HH12 ARG A 51 -15.724 24.483 1.175 1.00 21.02 H new ATOM 0 HH21 ARG A 51 -14.908 21.088 1.658 1.00 2.24 H new ATOM 0 HH22 ARG A 51 -15.294 22.623 2.442 1.00 2.24 H new ATOM 865 N THR A 52 -13.120 20.519 -3.363 1.00 51.33 N ATOM 866 CA THR A 52 -12.343 19.590 -2.553 1.00 12.23 C ATOM 867 C THR A 52 -11.646 18.551 -3.423 1.00 72.13 C ATOM 868 O THR A 52 -10.589 18.032 -3.064 1.00 11.44 O ATOM 869 CB THR A 52 -13.230 18.868 -1.521 1.00 21.30 C ATOM 870 OG1 THR A 52 -12.490 17.818 -0.889 1.00 23.52 O ATOM 871 CG2 THR A 52 -14.472 18.291 -2.184 1.00 41.50 C ATOM 0 H THR A 52 -14.090 20.240 -3.512 1.00 51.33 H new ATOM 0 HA THR A 52 -11.593 20.180 -2.027 1.00 12.23 H new ATOM 0 HB THR A 52 -13.542 19.595 -0.771 1.00 21.30 H new ATOM 0 HG1 THR A 52 -13.060 17.365 -0.233 1.00 23.52 H new ATOM 0 HG21 THR A 52 -15.083 17.786 -1.436 1.00 41.50 H new ATOM 0 HG22 THR A 52 -15.048 19.096 -2.640 1.00 41.50 H new ATOM 0 HG23 THR A 52 -14.176 17.577 -2.952 1.00 41.50 H new ATOM 879 N LYS A 53 -12.244 18.251 -4.571 1.00 72.52 N ATOM 880 CA LYS A 53 -11.680 17.274 -5.496 1.00 13.14 C ATOM 881 C LYS A 53 -10.989 17.968 -6.665 1.00 21.01 C ATOM 882 O LYS A 53 -9.994 17.471 -7.194 1.00 74.00 O ATOM 883 CB LYS A 53 -12.777 16.343 -6.017 1.00 62.25 C ATOM 884 CG LYS A 53 -13.541 15.627 -4.917 1.00 60.45 C ATOM 885 CD LYS A 53 -14.896 15.142 -5.404 1.00 53.15 C ATOM 886 CE LYS A 53 -14.959 13.623 -5.459 1.00 45.34 C ATOM 887 NZ LYS A 53 -16.325 13.113 -5.162 1.00 15.14 N ATOM 0 H LYS A 53 -13.120 18.670 -4.884 1.00 72.52 H new ATOM 0 HA LYS A 53 -10.938 16.685 -4.957 1.00 13.14 H new ATOM 0 HB2 LYS A 53 -13.479 16.922 -6.617 1.00 62.25 H new ATOM 0 HB3 LYS A 53 -12.329 15.601 -6.678 1.00 62.25 H new ATOM 0 HG2 LYS A 53 -12.957 14.779 -4.560 1.00 60.45 H new ATOM 0 HG3 LYS A 53 -13.677 16.300 -4.070 1.00 60.45 H new ATOM 0 HD2 LYS A 53 -15.677 15.516 -4.741 1.00 53.15 H new ATOM 0 HD3 LYS A 53 -15.096 15.551 -6.394 1.00 53.15 H new ATOM 0 HE2 LYS A 53 -14.651 13.283 -6.448 1.00 45.34 H new ATOM 0 HE3 LYS A 53 -14.252 13.204 -4.743 1.00 45.34 H new ATOM 0 HZ1 LYS A 53 -16.326 12.074 -5.210 1.00 15.14 H new ATOM 0 HZ2 LYS A 53 -16.609 13.416 -4.209 1.00 15.14 H new ATOM 0 HZ3 LYS A 53 -16.996 13.492 -5.860 1.00 15.14 H new ATOM 901 N TYR A 54 -11.521 19.119 -7.062 1.00 64.41 N ATOM 902 CA TYR A 54 -10.955 19.880 -8.169 1.00 42.04 C ATOM 903 C TYR A 54 -10.723 21.334 -7.769 1.00 24.44 C ATOM 904 O TYR A 54 -10.839 22.242 -8.590 1.00 3.22 O ATOM 905 CB TYR A 54 -11.881 19.816 -9.385 1.00 43.33 C ATOM 906 CG TYR A 54 -12.419 18.431 -9.664 1.00 53.33 C ATOM 907 CD1 TYR A 54 -11.565 17.383 -9.983 1.00 40.24 C ATOM 908 CD2 TYR A 54 -13.783 18.171 -9.608 1.00 31.22 C ATOM 909 CE1 TYR A 54 -12.053 16.117 -10.240 1.00 30.43 C ATOM 910 CE2 TYR A 54 -14.280 16.907 -9.861 1.00 61.22 C ATOM 911 CZ TYR A 54 -13.411 15.883 -10.177 1.00 50.32 C ATOM 912 OH TYR A 54 -13.901 14.623 -10.431 1.00 20.45 O ATOM 0 H TYR A 54 -12.343 19.545 -6.634 1.00 64.41 H new ATOM 0 HA TYR A 54 -9.994 19.436 -8.428 1.00 42.04 H new ATOM 0 HB2 TYR A 54 -12.718 20.497 -9.230 1.00 43.33 H new ATOM 0 HB3 TYR A 54 -11.340 20.170 -10.262 1.00 43.33 H new ATOM 0 HD1 TYR A 54 -10.501 17.561 -10.031 1.00 40.24 H new ATOM 0 HD2 TYR A 54 -14.466 18.971 -9.363 1.00 31.22 H new ATOM 0 HE1 TYR A 54 -11.375 15.314 -10.489 1.00 30.43 H new ATOM 0 HE2 TYR A 54 -15.343 16.721 -9.812 1.00 61.22 H new ATOM 0 HH TYR A 54 -14.877 14.628 -10.344 1.00 20.45 H new ATOM 922 N GLY A 55 -10.393 21.545 -6.498 1.00 23.01 N ATOM 923 CA GLY A 55 -10.148 22.889 -6.009 1.00 15.24 C ATOM 924 C GLY A 55 -9.149 23.644 -6.862 1.00 25.01 C ATOM 925 O GLY A 55 -9.115 24.875 -6.849 1.00 74.42 O ATOM 0 H GLY A 55 -10.291 20.809 -5.799 1.00 23.01 H new ATOM 0 HA2 GLY A 55 -11.088 23.440 -5.983 1.00 15.24 H new ATOM 0 HA3 GLY A 55 -9.780 22.838 -4.984 1.00 15.24 H new ATOM 929 N ASP A 56 -8.330 22.906 -7.604 1.00 34.01 N ATOM 930 CA ASP A 56 -7.324 23.513 -8.467 1.00 2.21 C ATOM 931 C ASP A 56 -7.976 24.405 -9.519 1.00 33.22 C ATOM 932 O ASP A 56 -7.628 25.578 -9.656 1.00 43.24 O ATOM 933 CB ASP A 56 -6.485 22.431 -9.147 1.00 64.35 C ATOM 934 CG ASP A 56 -5.009 22.551 -8.820 1.00 51.14 C ATOM 935 OD1 ASP A 56 -4.671 22.622 -7.620 1.00 61.31 O ATOM 936 OD2 ASP A 56 -4.192 22.574 -9.765 1.00 35.33 O ATOM 0 H ASP A 56 -8.343 21.886 -7.625 1.00 34.01 H new ATOM 0 HA ASP A 56 -6.674 24.130 -7.847 1.00 2.21 H new ATOM 0 HB2 ASP A 56 -6.844 21.449 -8.838 1.00 64.35 H new ATOM 0 HB3 ASP A 56 -6.621 22.495 -10.227 1.00 64.35 H new ATOM 941 N LEU A 57 -8.924 23.841 -10.260 1.00 23.33 N ATOM 942 CA LEU A 57 -9.625 24.584 -11.301 1.00 0.12 C ATOM 943 C LEU A 57 -10.768 25.403 -10.709 1.00 71.33 C ATOM 944 O LEU A 57 -11.099 26.478 -11.209 1.00 5.44 O ATOM 945 CB LEU A 57 -10.165 23.625 -12.363 1.00 55.52 C ATOM 946 CG LEU A 57 -10.538 22.225 -11.876 1.00 64.43 C ATOM 947 CD1 LEU A 57 -11.729 21.688 -12.655 1.00 23.22 C ATOM 948 CD2 LEU A 57 -9.349 21.283 -12.001 1.00 45.21 C ATOM 0 H LEU A 57 -9.225 22.872 -10.159 1.00 23.33 H new ATOM 0 HA LEU A 57 -8.915 25.268 -11.766 1.00 0.12 H new ATOM 0 HB2 LEU A 57 -11.047 24.077 -12.817 1.00 55.52 H new ATOM 0 HB3 LEU A 57 -9.417 23.527 -13.149 1.00 55.52 H new ATOM 0 HG LEU A 57 -10.817 22.290 -10.824 1.00 64.43 H new ATOM 0 HD11 LEU A 57 -11.980 20.690 -12.294 1.00 23.22 H new ATOM 0 HD12 LEU A 57 -12.584 22.350 -12.515 1.00 23.22 H new ATOM 0 HD13 LEU A 57 -11.478 21.638 -13.715 1.00 23.22 H new ATOM 0 HD21 LEU A 57 -9.632 20.291 -11.650 1.00 45.21 H new ATOM 0 HD22 LEU A 57 -9.040 21.224 -13.045 1.00 45.21 H new ATOM 0 HD23 LEU A 57 -8.522 21.659 -11.398 1.00 45.21 H new ATOM 960 N VAL A 58 -11.368 24.887 -9.641 1.00 25.12 N ATOM 961 CA VAL A 58 -12.472 25.571 -8.979 1.00 5.43 C ATOM 962 C VAL A 58 -12.089 26.999 -8.606 1.00 43.33 C ATOM 963 O VAL A 58 -12.877 27.929 -8.777 1.00 53.15 O ATOM 964 CB VAL A 58 -12.915 24.822 -7.708 1.00 1.41 C ATOM 965 CG1 VAL A 58 -13.993 25.606 -6.975 1.00 74.32 C ATOM 966 CG2 VAL A 58 -13.404 23.425 -8.057 1.00 23.20 C ATOM 0 H VAL A 58 -11.108 23.997 -9.216 1.00 25.12 H new ATOM 0 HA VAL A 58 -13.301 25.593 -9.687 1.00 5.43 H new ATOM 0 HB VAL A 58 -12.055 24.726 -7.045 1.00 1.41 H new ATOM 0 HG11 VAL A 58 -14.294 25.062 -6.080 1.00 74.32 H new ATOM 0 HG12 VAL A 58 -13.603 26.583 -6.691 1.00 74.32 H new ATOM 0 HG13 VAL A 58 -14.856 25.736 -7.628 1.00 74.32 H new ATOM 0 HG21 VAL A 58 -13.713 22.910 -7.147 1.00 23.20 H new ATOM 0 HG22 VAL A 58 -14.251 23.496 -8.739 1.00 23.20 H new ATOM 0 HG23 VAL A 58 -12.599 22.866 -8.535 1.00 23.20 H new ATOM 976 N ASP A 59 -10.873 27.166 -8.097 1.00 13.12 N ATOM 977 CA ASP A 59 -10.384 28.482 -7.701 1.00 71.32 C ATOM 978 C ASP A 59 -9.896 29.268 -8.914 1.00 74.43 C ATOM 979 O ASP A 59 -9.394 30.384 -8.782 1.00 72.14 O ATOM 980 CB ASP A 59 -9.254 28.343 -6.680 1.00 11.33 C ATOM 981 CG ASP A 59 -9.768 28.046 -5.285 1.00 21.32 C ATOM 982 OD1 ASP A 59 -10.765 27.303 -5.165 1.00 52.32 O ATOM 983 OD2 ASP A 59 -9.172 28.555 -4.313 1.00 32.44 O ATOM 0 H ASP A 59 -10.208 26.407 -7.949 1.00 13.12 H new ATOM 0 HA ASP A 59 -11.210 29.028 -7.245 1.00 71.32 H new ATOM 0 HB2 ASP A 59 -8.581 27.545 -6.994 1.00 11.33 H new ATOM 0 HB3 ASP A 59 -8.670 29.263 -6.661 1.00 11.33 H new ATOM 988 N ASP A 60 -10.047 28.677 -10.095 1.00 23.13 N ATOM 989 CA ASP A 60 -9.622 29.321 -11.332 1.00 3.52 C ATOM 990 C ASP A 60 -10.827 29.731 -12.173 1.00 44.00 C ATOM 991 O ASP A 60 -10.713 30.559 -13.077 1.00 71.23 O ATOM 992 CB ASP A 60 -8.718 28.385 -12.135 1.00 44.23 C ATOM 993 CG ASP A 60 -7.405 28.103 -11.432 1.00 3.44 C ATOM 994 OD1 ASP A 60 -7.218 28.601 -10.301 1.00 41.45 O ATOM 995 OD2 ASP A 60 -6.564 27.384 -12.011 1.00 12.14 O ATOM 0 H ASP A 60 -10.461 27.753 -10.221 1.00 23.13 H new ATOM 0 HA ASP A 60 -9.061 30.219 -11.071 1.00 3.52 H new ATOM 0 HB2 ASP A 60 -9.240 27.445 -12.313 1.00 44.23 H new ATOM 0 HB3 ASP A 60 -8.517 28.828 -13.110 1.00 44.23 H new ATOM 1000 N PHE A 61 -11.980 29.145 -11.870 1.00 11.02 N ATOM 1001 CA PHE A 61 -13.206 29.447 -12.599 1.00 51.22 C ATOM 1002 C PHE A 61 -14.107 30.374 -11.788 1.00 50.13 C ATOM 1003 O PHE A 61 -14.346 31.518 -12.175 1.00 32.44 O ATOM 1004 CB PHE A 61 -13.955 28.156 -12.937 1.00 12.51 C ATOM 1005 CG PHE A 61 -15.320 28.390 -13.519 1.00 42.12 C ATOM 1006 CD1 PHE A 61 -15.478 28.625 -14.875 1.00 42.54 C ATOM 1007 CD2 PHE A 61 -16.445 28.375 -12.710 1.00 64.12 C ATOM 1008 CE1 PHE A 61 -16.732 28.840 -15.415 1.00 13.54 C ATOM 1009 CE2 PHE A 61 -17.701 28.589 -13.244 1.00 34.23 C ATOM 1010 CZ PHE A 61 -17.845 28.823 -14.597 1.00 54.13 C ATOM 0 H PHE A 61 -12.091 28.458 -11.124 1.00 11.02 H new ATOM 0 HA PHE A 61 -12.933 29.953 -13.525 1.00 51.22 H new ATOM 0 HB2 PHE A 61 -13.362 27.576 -13.644 1.00 12.51 H new ATOM 0 HB3 PHE A 61 -14.052 27.554 -12.033 1.00 12.51 H new ATOM 0 HD1 PHE A 61 -14.611 28.640 -15.518 1.00 42.54 H new ATOM 0 HD2 PHE A 61 -16.339 28.194 -11.651 1.00 64.12 H new ATOM 0 HE1 PHE A 61 -16.841 29.021 -16.474 1.00 13.54 H new ATOM 0 HE2 PHE A 61 -18.570 28.573 -12.603 1.00 34.23 H new ATOM 0 HZ PHE A 61 -18.826 28.992 -15.015 1.00 54.13 H new