USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=6 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+ 180:sc= 0 (180deg=0) 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 K(o=0,f=-1.1) USER MOD Single : A 28 THR OG1 : rot 170:sc= 0.174 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot -140:sc= -2 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 82:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.559 18.238 -16.218 1.00 51.32 N ATOM 248 CA GLU A 16 -9.001 19.371 -16.947 1.00 55.42 C ATOM 249 C GLU A 16 -9.331 20.686 -16.245 1.00 74.42 C ATOM 250 O GLU A 16 -8.436 21.422 -15.831 1.00 11.02 O ATOM 251 CB GLU A 16 -9.537 19.398 -18.380 1.00 61.43 C ATOM 252 CG GLU A 16 -8.491 19.054 -19.427 1.00 44.43 C ATOM 253 CD GLU A 16 -7.920 20.284 -20.106 1.00 45.04 C ATOM 254 OE1 GLU A 16 -8.685 21.245 -20.333 1.00 65.11 O ATOM 255 OE2 GLU A 16 -6.709 20.286 -20.411 1.00 63.32 O ATOM 0 HA GLU A 16 -7.918 19.255 -16.974 1.00 55.42 H new ATOM 0 HB2 GLU A 16 -10.366 18.695 -18.462 1.00 61.43 H new ATOM 0 HB3 GLU A 16 -9.938 20.390 -18.591 1.00 61.43 H new ATOM 0 HG2 GLU A 16 -7.682 18.494 -18.957 1.00 44.43 H new ATOM 0 HG3 GLU A 16 -8.935 18.402 -20.179 1.00 44.43 H new ATOM 262 N ARG A 17 -10.623 20.973 -16.116 1.00 64.32 N ATOM 263 CA ARG A 17 -11.072 22.198 -15.467 1.00 5.34 C ATOM 264 C ARG A 17 -12.592 22.222 -15.342 1.00 52.14 C ATOM 265 O ARG A 17 -13.287 21.407 -15.949 1.00 71.33 O ATOM 266 CB ARG A 17 -10.594 23.421 -16.252 1.00 10.33 C ATOM 267 CG ARG A 17 -11.554 23.855 -17.347 1.00 72.33 C ATOM 268 CD ARG A 17 -11.812 22.731 -18.338 1.00 75.34 C ATOM 269 NE ARG A 17 -11.934 23.225 -19.707 1.00 44.23 N ATOM 270 CZ ARG A 17 -12.946 23.973 -20.132 1.00 31.04 C ATOM 271 NH1 ARG A 17 -13.920 24.311 -19.298 1.00 1.22 N ATOM 272 NH2 ARG A 17 -12.986 24.385 -21.392 1.00 63.45 N ATOM 0 H ARG A 17 -11.376 20.373 -16.453 1.00 64.32 H new ATOM 0 HA ARG A 17 -10.643 22.227 -14.466 1.00 5.34 H new ATOM 0 HB2 ARG A 17 -10.446 24.251 -15.561 1.00 10.33 H new ATOM 0 HB3 ARG A 17 -9.624 23.200 -16.697 1.00 10.33 H new ATOM 0 HG2 ARG A 17 -12.497 24.172 -16.901 1.00 72.33 H new ATOM 0 HG3 ARG A 17 -11.143 24.717 -17.872 1.00 72.33 H new ATOM 0 HD2 ARG A 17 -10.999 22.007 -18.285 1.00 75.34 H new ATOM 0 HD3 ARG A 17 -12.725 22.205 -18.060 1.00 75.34 H new ATOM 0 HE ARG A 17 -11.201 22.982 -20.374 1.00 44.23 H new ATOM 0 HH11 ARG A 17 -13.893 23.997 -18.328 1.00 1.22 H new ATOM 0 HH12 ARG A 17 -14.696 24.885 -19.626 1.00 1.22 H new ATOM 0 HH21 ARG A 17 -12.239 24.128 -22.037 1.00 63.45 H new ATOM 0 HH22 ARG A 17 -13.764 24.959 -21.716 1.00 63.45 H new ATOM 286 N ILE A 18 -13.101 23.161 -14.552 1.00 53.22 N ATOM 287 CA ILE A 18 -14.539 23.291 -14.349 1.00 41.12 C ATOM 288 C ILE A 18 -15.231 23.781 -15.617 1.00 30.52 C ATOM 289 O ILE A 18 -15.052 24.925 -16.032 1.00 40.44 O ATOM 290 CB ILE A 18 -14.859 24.260 -13.196 1.00 13.30 C ATOM 291 CG1 ILE A 18 -14.091 23.859 -11.935 1.00 45.33 C ATOM 292 CG2 ILE A 18 -16.356 24.285 -12.925 1.00 31.41 C ATOM 293 CD1 ILE A 18 -14.684 22.666 -11.220 1.00 11.25 C ATOM 0 H ILE A 18 -12.539 23.843 -14.042 1.00 53.22 H new ATOM 0 HA ILE A 18 -14.913 22.299 -14.094 1.00 41.12 H new ATOM 0 HB ILE A 18 -14.545 25.263 -13.486 1.00 13.30 H new ATOM 0 HG12 ILE A 18 -13.059 23.635 -12.204 1.00 45.33 H new ATOM 0 HG13 ILE A 18 -14.065 24.707 -11.250 1.00 45.33 H new ATOM 0 HG21 ILE A 18 -16.566 24.974 -12.107 1.00 31.41 H new ATOM 0 HG22 ILE A 18 -16.883 24.613 -13.821 1.00 31.41 H new ATOM 0 HG23 ILE A 18 -16.693 23.285 -12.652 1.00 31.41 H new ATOM 0 HD11 ILE A 18 -14.088 22.439 -10.336 1.00 11.25 H new ATOM 0 HD12 ILE A 18 -15.707 22.893 -10.920 1.00 11.25 H new ATOM 0 HD13 ILE A 18 -14.685 21.805 -11.888 1.00 11.25 H new ATOM 305 N VAL A 19 -16.024 22.906 -16.227 1.00 34.42 N ATOM 306 CA VAL A 19 -16.747 23.249 -17.446 1.00 22.02 C ATOM 307 C VAL A 19 -17.717 24.400 -17.204 1.00 44.12 C ATOM 308 O VAL A 19 -17.705 25.397 -17.926 1.00 40.14 O ATOM 309 CB VAL A 19 -17.528 22.040 -17.995 1.00 12.45 C ATOM 310 CG1 VAL A 19 -17.990 22.305 -19.420 1.00 3.15 C ATOM 311 CG2 VAL A 19 -16.678 20.781 -17.926 1.00 63.00 C ATOM 0 H VAL A 19 -16.182 21.954 -15.897 1.00 34.42 H new ATOM 0 HA VAL A 19 -16.002 23.554 -18.181 1.00 22.02 H new ATOM 0 HB VAL A 19 -18.412 21.888 -17.375 1.00 12.45 H new ATOM 0 HG11 VAL A 19 -18.540 21.440 -19.791 1.00 3.15 H new ATOM 0 HG12 VAL A 19 -18.638 23.181 -19.435 1.00 3.15 H new ATOM 0 HG13 VAL A 19 -17.123 22.484 -20.056 1.00 3.15 H new ATOM 0 HG21 VAL A 19 -17.246 19.937 -18.318 1.00 63.00 H new ATOM 0 HG22 VAL A 19 -15.775 20.919 -18.521 1.00 63.00 H new ATOM 0 HG23 VAL A 19 -16.403 20.584 -16.890 1.00 63.00 H new ATOM 321 N ARG A 20 -18.555 24.256 -16.183 1.00 72.33 N ATOM 322 CA ARG A 20 -19.533 25.283 -15.846 1.00 42.43 C ATOM 323 C ARG A 20 -20.108 25.050 -14.452 1.00 53.15 C ATOM 324 O ARG A 20 -19.667 24.158 -13.728 1.00 4.34 O ATOM 325 CB ARG A 20 -20.661 25.302 -16.879 1.00 52.20 C ATOM 326 CG ARG A 20 -21.248 23.930 -17.165 1.00 61.51 C ATOM 327 CD ARG A 20 -20.823 23.416 -18.532 1.00 53.10 C ATOM 328 NE ARG A 20 -21.956 23.288 -19.445 1.00 12.32 N ATOM 329 CZ ARG A 20 -21.835 23.267 -20.768 1.00 34.45 C ATOM 330 NH1 ARG A 20 -20.638 23.363 -21.329 1.00 11.31 N ATOM 331 NH2 ARG A 20 -22.914 23.148 -21.532 1.00 23.44 N ATOM 0 H ARG A 20 -18.576 23.438 -15.575 1.00 72.33 H new ATOM 0 HA ARG A 20 -19.027 26.248 -15.854 1.00 42.43 H new ATOM 0 HB2 ARG A 20 -21.454 25.961 -16.526 1.00 52.20 H new ATOM 0 HB3 ARG A 20 -20.284 25.727 -17.809 1.00 52.20 H new ATOM 0 HG2 ARG A 20 -20.927 23.228 -16.395 1.00 61.51 H new ATOM 0 HG3 ARG A 20 -22.336 23.981 -17.116 1.00 61.51 H new ATOM 0 HD2 ARG A 20 -20.086 24.095 -18.962 1.00 53.10 H new ATOM 0 HD3 ARG A 20 -20.337 22.447 -18.420 1.00 53.10 H new ATOM 0 HE ARG A 20 -22.891 23.211 -19.045 1.00 12.32 H new ATOM 0 HH11 ARG A 20 -19.807 23.453 -20.745 1.00 11.31 H new ATOM 0 HH12 ARG A 20 -20.548 23.347 -22.345 1.00 11.31 H new ATOM 0 HH21 ARG A 20 -23.837 23.073 -21.103 1.00 23.44 H new ATOM 0 HH22 ARG A 20 -22.821 23.132 -22.548 1.00 23.44 H new ATOM 345 N LYS A 21 -21.096 25.858 -14.083 1.00 54.12 N ATOM 346 CA LYS A 21 -21.734 25.741 -12.777 1.00 61.41 C ATOM 347 C LYS A 21 -23.178 26.229 -12.831 1.00 2.44 C ATOM 348 O LYS A 21 -23.547 27.012 -13.706 1.00 13.40 O ATOM 349 CB LYS A 21 -20.952 26.539 -11.732 1.00 13.35 C ATOM 350 CG LYS A 21 -21.072 28.044 -11.901 1.00 33.12 C ATOM 351 CD LYS A 21 -20.599 28.784 -10.661 1.00 14.01 C ATOM 352 CE LYS A 21 -21.504 29.963 -10.336 1.00 71.14 C ATOM 353 NZ LYS A 21 -20.800 30.996 -9.528 1.00 0.41 N ATOM 0 H LYS A 21 -21.473 26.602 -14.671 1.00 54.12 H new ATOM 0 HA LYS A 21 -21.736 24.688 -12.494 1.00 61.41 H new ATOM 0 HB2 LYS A 21 -21.305 26.264 -10.738 1.00 13.35 H new ATOM 0 HB3 LYS A 21 -19.900 26.259 -11.785 1.00 13.35 H new ATOM 0 HG2 LYS A 21 -20.484 28.362 -12.762 1.00 33.12 H new ATOM 0 HG3 LYS A 21 -22.109 28.306 -12.109 1.00 33.12 H new ATOM 0 HD2 LYS A 21 -20.575 28.098 -9.814 1.00 14.01 H new ATOM 0 HD3 LYS A 21 -19.579 29.138 -10.814 1.00 14.01 H new ATOM 0 HE2 LYS A 21 -21.865 30.410 -11.262 1.00 71.14 H new ATOM 0 HE3 LYS A 21 -22.379 29.610 -9.791 1.00 71.14 H new ATOM 0 HZ1 LYS A 21 -21.450 31.782 -9.327 1.00 0.41 H new ATOM 0 HZ2 LYS A 21 -20.478 30.576 -8.633 1.00 0.41 H new ATOM 0 HZ3 LYS A 21 -19.979 31.352 -10.059 1.00 0.41 H new ATOM 367 N LYS A 22 -23.990 25.764 -11.888 1.00 74.11 N ATOM 368 CA LYS A 22 -25.394 26.155 -11.825 1.00 44.33 C ATOM 369 C LYS A 22 -26.038 25.664 -10.533 1.00 52.10 C ATOM 370 O LYS A 22 -25.705 24.590 -10.032 1.00 21.13 O ATOM 371 CB LYS A 22 -26.154 25.598 -13.031 1.00 12.22 C ATOM 372 CG LYS A 22 -26.410 24.103 -12.951 1.00 14.35 C ATOM 373 CD LYS A 22 -27.883 23.801 -12.731 1.00 31.13 C ATOM 374 CE LYS A 22 -28.526 23.223 -13.982 1.00 32.40 C ATOM 375 NZ LYS A 22 -30.009 23.362 -13.959 1.00 24.13 N ATOM 0 H LYS A 22 -23.700 25.115 -11.156 1.00 74.11 H new ATOM 0 HA LYS A 22 -25.444 27.244 -11.843 1.00 44.33 H new ATOM 0 HB2 LYS A 22 -27.108 26.117 -13.120 1.00 12.22 H new ATOM 0 HB3 LYS A 22 -25.588 25.813 -13.937 1.00 12.22 H new ATOM 0 HG2 LYS A 22 -26.073 23.625 -13.871 1.00 14.35 H new ATOM 0 HG3 LYS A 22 -25.824 23.676 -12.137 1.00 14.35 H new ATOM 0 HD2 LYS A 22 -27.992 23.097 -11.906 1.00 31.13 H new ATOM 0 HD3 LYS A 22 -28.403 24.714 -12.442 1.00 31.13 H new ATOM 0 HE2 LYS A 22 -28.128 23.728 -14.862 1.00 32.40 H new ATOM 0 HE3 LYS A 22 -28.261 22.169 -14.073 1.00 32.40 H new ATOM 0 HZ1 LYS A 22 -30.409 22.956 -14.829 1.00 24.13 H new ATOM 0 HZ2 LYS A 22 -30.392 22.858 -13.134 1.00 24.13 H new ATOM 0 HZ3 LYS A 22 -30.262 24.369 -13.898 1.00 24.13 H new ATOM 389 N ILE A 23 -26.962 26.456 -10.000 1.00 54.10 N ATOM 390 CA ILE A 23 -27.655 26.100 -8.768 1.00 22.31 C ATOM 391 C ILE A 23 -29.121 25.777 -9.035 1.00 20.41 C ATOM 392 O ILE A 23 -29.727 26.313 -9.962 1.00 52.24 O ATOM 393 CB ILE A 23 -27.572 27.232 -7.728 1.00 5.25 C ATOM 394 CG1 ILE A 23 -28.641 28.290 -8.006 1.00 74.11 C ATOM 395 CG2 ILE A 23 -26.185 27.858 -7.736 1.00 50.41 C ATOM 396 CD1 ILE A 23 -29.918 28.079 -7.223 1.00 73.31 C ATOM 0 H ILE A 23 -27.248 27.349 -10.402 1.00 54.10 H new ATOM 0 HA ILE A 23 -27.157 25.215 -8.371 1.00 22.31 H new ATOM 0 HB ILE A 23 -27.754 26.810 -6.739 1.00 5.25 H new ATOM 0 HG12 ILE A 23 -28.237 29.274 -7.768 1.00 74.11 H new ATOM 0 HG13 ILE A 23 -28.873 28.289 -9.071 1.00 74.11 H new ATOM 0 HG21 ILE A 23 -26.142 28.657 -6.995 1.00 50.41 H new ATOM 0 HG22 ILE A 23 -25.442 27.098 -7.494 1.00 50.41 H new ATOM 0 HG23 ILE A 23 -25.977 28.268 -8.724 1.00 50.41 H new ATOM 0 HD11 ILE A 23 -30.631 28.866 -7.470 1.00 73.31 H new ATOM 0 HD12 ILE A 23 -30.345 27.109 -7.478 1.00 73.31 H new ATOM 0 HD13 ILE A 23 -29.700 28.109 -6.156 1.00 73.31 H new ATOM 408 N VAL A 24 -29.686 24.897 -8.214 1.00 74.14 N ATOM 409 CA VAL A 24 -31.083 24.504 -8.360 1.00 0.04 C ATOM 410 C VAL A 24 -31.778 24.433 -7.004 1.00 64.03 C ATOM 411 O VAL A 24 -31.325 23.732 -6.099 1.00 11.05 O ATOM 412 CB VAL A 24 -31.212 23.140 -9.062 1.00 70.44 C ATOM 413 CG1 VAL A 24 -32.405 23.135 -10.006 1.00 14.34 C ATOM 414 CG2 VAL A 24 -29.930 22.802 -9.809 1.00 55.13 C ATOM 0 H VAL A 24 -29.198 24.443 -7.442 1.00 74.14 H new ATOM 0 HA VAL A 24 -31.564 25.266 -8.973 1.00 0.04 H new ATOM 0 HB VAL A 24 -31.376 22.375 -8.303 1.00 70.44 H new ATOM 0 HG11 VAL A 24 -32.480 22.163 -10.493 1.00 14.34 H new ATOM 0 HG12 VAL A 24 -33.317 23.329 -9.441 1.00 14.34 H new ATOM 0 HG13 VAL A 24 -32.274 23.910 -10.761 1.00 14.34 H new ATOM 0 HG21 VAL A 24 -30.039 21.835 -10.299 1.00 55.13 H new ATOM 0 HG22 VAL A 24 -29.733 23.568 -10.558 1.00 55.13 H new ATOM 0 HG23 VAL A 24 -29.099 22.760 -9.105 1.00 55.13 H new ATOM 424 N HIS A 25 -32.880 25.163 -6.872 1.00 15.13 N ATOM 425 CA HIS A 25 -33.640 25.182 -5.626 1.00 45.33 C ATOM 426 C HIS A 25 -32.748 25.578 -4.453 1.00 32.21 C ATOM 427 O HIS A 25 -33.024 25.229 -3.306 1.00 11.12 O ATOM 428 CB HIS A 25 -34.267 23.813 -5.366 1.00 34.30 C ATOM 429 CG HIS A 25 -35.634 23.886 -4.758 1.00 53.23 C ATOM 430 ND1 HIS A 25 -36.791 23.682 -5.480 1.00 70.55 N ATOM 431 CD2 HIS A 25 -36.026 24.142 -3.488 1.00 61.01 C ATOM 432 CE1 HIS A 25 -37.835 23.810 -4.681 1.00 40.02 C ATOM 433 NE2 HIS A 25 -37.398 24.089 -3.466 1.00 41.04 N ATOM 0 H HIS A 25 -33.267 25.749 -7.611 1.00 15.13 H new ATOM 0 HA HIS A 25 -34.433 25.923 -5.723 1.00 45.33 H new ATOM 0 HB2 HIS A 25 -34.325 23.265 -6.306 1.00 34.30 H new ATOM 0 HB3 HIS A 25 -33.614 23.243 -4.705 1.00 34.30 H new ATOM 0 HD2 HIS A 25 -35.380 24.349 -2.648 1.00 61.01 H new ATOM 0 HE1 HIS A 25 -38.870 23.705 -4.972 1.00 40.02 H new ATOM 0 HE2 HIS A 25 -37.984 24.240 -2.645 1.00 41.04 H new ATOM 441 N GLY A 26 -31.677 26.308 -4.749 1.00 70.21 N ATOM 442 CA GLY A 26 -30.761 26.738 -3.708 1.00 73.45 C ATOM 443 C GLY A 26 -29.608 25.773 -3.517 1.00 4.21 C ATOM 444 O GLY A 26 -28.898 25.836 -2.514 1.00 20.40 O ATOM 0 H GLY A 26 -31.427 26.609 -5.691 1.00 70.21 H new ATOM 0 HA2 GLY A 26 -30.368 27.724 -3.958 1.00 73.45 H new ATOM 0 HA3 GLY A 26 -31.305 26.840 -2.769 1.00 73.45 H new ATOM 448 N ASN A 27 -29.421 24.877 -4.481 1.00 2.51 N ATOM 449 CA ASN A 27 -28.346 23.894 -4.412 1.00 72.14 C ATOM 450 C ASN A 27 -27.341 24.107 -5.540 1.00 3.42 C ATOM 451 O ASN A 27 -27.614 23.793 -6.699 1.00 2.12 O ATOM 452 CB ASN A 27 -28.918 22.477 -4.486 1.00 33.23 C ATOM 453 CG ASN A 27 -29.942 22.210 -3.399 1.00 60.42 C ATOM 454 OD1 ASN A 27 -29.963 22.886 -2.371 1.00 10.11 O ATOM 455 ND2 ASN A 27 -30.797 21.219 -3.623 1.00 72.30 N ATOM 0 H ASN A 27 -30.000 24.812 -5.318 1.00 2.51 H new ATOM 0 HA ASN A 27 -27.830 24.022 -3.460 1.00 72.14 H new ATOM 0 HB2 ASN A 27 -29.380 22.325 -5.462 1.00 33.23 H new ATOM 0 HB3 ASN A 27 -28.106 21.755 -4.402 1.00 33.23 H new ATOM 0 HD21 ASN A 27 -31.508 20.992 -2.928 1.00 72.30 H new ATOM 0 HD22 ASN A 27 -30.743 20.685 -4.490 1.00 72.30 H new ATOM 462 N THR A 28 -26.175 24.644 -5.192 1.00 61.31 N ATOM 463 CA THR A 28 -25.128 24.900 -6.174 1.00 34.14 C ATOM 464 C THR A 28 -24.550 23.597 -6.714 1.00 32.13 C ATOM 465 O THR A 28 -24.428 22.612 -5.986 1.00 35.14 O ATOM 466 CB THR A 28 -23.989 25.744 -5.572 1.00 63.24 C ATOM 467 OG1 THR A 28 -24.521 26.694 -4.643 1.00 2.23 O ATOM 468 CG2 THR A 28 -23.220 26.471 -6.665 1.00 2.41 C ATOM 0 H THR A 28 -25.932 24.910 -4.238 1.00 61.31 H new ATOM 0 HA THR A 28 -25.589 25.455 -6.991 1.00 34.14 H new ATOM 0 HB THR A 28 -23.305 25.073 -5.052 1.00 63.24 H new ATOM 0 HG1 THR A 28 -23.787 27.116 -4.150 1.00 2.23 H new ATOM 0 HG21 THR A 28 -22.420 27.061 -6.217 1.00 2.41 H new ATOM 0 HG22 THR A 28 -22.791 25.743 -7.354 1.00 2.41 H new ATOM 0 HG23 THR A 28 -23.896 27.131 -7.209 1.00 2.41 H new ATOM 476 N SER A 29 -24.194 23.599 -7.994 1.00 74.44 N ATOM 477 CA SER A 29 -23.631 22.415 -8.633 1.00 33.21 C ATOM 478 C SER A 29 -22.553 22.802 -9.640 1.00 70.14 C ATOM 479 O SER A 29 -22.781 23.629 -10.524 1.00 32.41 O ATOM 480 CB SER A 29 -24.732 21.613 -9.330 1.00 31.22 C ATOM 481 OG SER A 29 -25.741 21.227 -8.412 1.00 64.12 O ATOM 0 H SER A 29 -24.285 24.407 -8.610 1.00 74.44 H new ATOM 0 HA SER A 29 -23.176 21.797 -7.859 1.00 33.21 H new ATOM 0 HB2 SER A 29 -25.172 22.211 -10.128 1.00 31.22 H new ATOM 0 HB3 SER A 29 -24.301 20.727 -9.796 1.00 31.22 H new ATOM 0 HG SER A 29 -26.433 20.717 -8.882 1.00 64.12 H new ATOM 487 N TYR A 30 -21.378 22.199 -9.501 1.00 21.44 N ATOM 488 CA TYR A 30 -20.262 22.481 -10.396 1.00 54.01 C ATOM 489 C TYR A 30 -20.051 21.336 -11.381 1.00 73.54 C ATOM 490 O TYR A 30 -19.693 20.223 -10.991 1.00 54.25 O ATOM 491 CB TYR A 30 -18.983 22.719 -9.592 1.00 12.20 C ATOM 492 CG TYR A 30 -18.858 24.128 -9.056 1.00 73.50 C ATOM 493 CD1 TYR A 30 -19.887 24.707 -8.323 1.00 71.52 C ATOM 494 CD2 TYR A 30 -17.712 24.879 -9.283 1.00 54.42 C ATOM 495 CE1 TYR A 30 -19.778 25.993 -7.832 1.00 41.20 C ATOM 496 CE2 TYR A 30 -17.594 26.166 -8.795 1.00 2.14 C ATOM 497 CZ TYR A 30 -18.629 26.719 -8.070 1.00 32.41 C ATOM 498 OH TYR A 30 -18.516 28.001 -7.583 1.00 25.42 O ATOM 0 H TYR A 30 -21.173 21.511 -8.776 1.00 21.44 H new ATOM 0 HA TYR A 30 -20.501 23.382 -10.960 1.00 54.01 H new ATOM 0 HB2 TYR A 30 -18.952 22.018 -8.758 1.00 12.20 H new ATOM 0 HB3 TYR A 30 -18.121 22.501 -10.223 1.00 12.20 H new ATOM 0 HD1 TYR A 30 -20.787 24.141 -8.134 1.00 71.52 H new ATOM 0 HD2 TYR A 30 -16.900 24.450 -9.850 1.00 54.42 H new ATOM 0 HE1 TYR A 30 -20.588 26.428 -7.265 1.00 41.20 H new ATOM 0 HE2 TYR A 30 -16.696 26.736 -8.980 1.00 2.14 H new ATOM 0 HH TYR A 30 -17.645 28.372 -7.838 1.00 25.42 H new ATOM 508 N LEU A 31 -20.275 21.616 -12.661 1.00 22.44 N ATOM 509 CA LEU A 31 -20.109 20.610 -13.704 1.00 42.03 C ATOM 510 C LEU A 31 -18.684 20.620 -14.248 1.00 23.40 C ATOM 511 O LEU A 31 -18.279 21.552 -14.942 1.00 1.52 O ATOM 512 CB LEU A 31 -21.102 20.858 -14.841 1.00 31.50 C ATOM 513 CG LEU A 31 -20.914 20.003 -16.095 1.00 3.10 C ATOM 514 CD1 LEU A 31 -21.261 18.550 -15.808 1.00 44.42 C ATOM 515 CD2 LEU A 31 -21.762 20.540 -17.239 1.00 2.14 C ATOM 0 H LEU A 31 -20.572 22.531 -13.001 1.00 22.44 H new ATOM 0 HA LEU A 31 -20.304 19.631 -13.265 1.00 42.03 H new ATOM 0 HB2 LEU A 31 -22.109 20.691 -14.460 1.00 31.50 H new ATOM 0 HB3 LEU A 31 -21.040 21.908 -15.128 1.00 31.50 H new ATOM 0 HG LEU A 31 -19.866 20.053 -16.391 1.00 3.10 H new ATOM 0 HD11 LEU A 31 -21.121 17.957 -16.712 1.00 44.42 H new ATOM 0 HD12 LEU A 31 -20.611 18.169 -15.020 1.00 44.42 H new ATOM 0 HD13 LEU A 31 -22.300 18.481 -15.486 1.00 44.42 H new ATOM 0 HD21 LEU A 31 -21.616 19.919 -18.123 1.00 2.14 H new ATOM 0 HD22 LEU A 31 -22.814 20.521 -16.952 1.00 2.14 H new ATOM 0 HD23 LEU A 31 -21.465 21.565 -17.462 1.00 2.14 H new ATOM 527 N VAL A 32 -17.927 19.574 -13.930 1.00 34.23 N ATOM 528 CA VAL A 32 -16.548 19.460 -14.389 1.00 32.22 C ATOM 529 C VAL A 32 -16.382 18.282 -15.343 1.00 11.24 C ATOM 530 O VAL A 32 -17.045 17.254 -15.199 1.00 44.35 O ATOM 531 CB VAL A 32 -15.575 19.290 -13.207 1.00 14.12 C ATOM 532 CG1 VAL A 32 -15.756 17.926 -12.558 1.00 13.43 C ATOM 533 CG2 VAL A 32 -14.139 19.484 -13.668 1.00 23.13 C ATOM 0 H VAL A 32 -18.246 18.793 -13.356 1.00 34.23 H new ATOM 0 HA VAL A 32 -16.312 20.385 -14.914 1.00 32.22 H new ATOM 0 HB VAL A 32 -15.799 20.053 -12.461 1.00 14.12 H new ATOM 0 HG11 VAL A 32 -15.060 17.824 -11.725 1.00 13.43 H new ATOM 0 HG12 VAL A 32 -16.778 17.830 -12.191 1.00 13.43 H new ATOM 0 HG13 VAL A 32 -15.560 17.145 -13.292 1.00 13.43 H new ATOM 0 HG21 VAL A 32 -13.465 19.360 -12.820 1.00 23.13 H new ATOM 0 HG22 VAL A 32 -13.899 18.745 -14.433 1.00 23.13 H new ATOM 0 HG23 VAL A 32 -14.022 20.486 -14.082 1.00 23.13 H new ATOM 543 N LYS A 33 -15.492 18.438 -16.317 1.00 54.21 N ATOM 544 CA LYS A 33 -15.236 17.388 -17.295 1.00 71.32 C ATOM 545 C LYS A 33 -14.167 16.424 -16.791 1.00 22.10 C ATOM 546 O LYS A 33 -13.830 16.420 -15.607 1.00 11.11 O ATOM 547 CB LYS A 33 -14.799 17.999 -18.628 1.00 41.22 C ATOM 548 CG LYS A 33 -13.554 18.863 -18.522 1.00 70.10 C ATOM 549 CD LYS A 33 -13.600 20.030 -19.494 1.00 71.55 C ATOM 550 CE LYS A 33 -13.743 19.552 -20.932 1.00 22.05 C ATOM 551 NZ LYS A 33 -14.849 20.252 -21.641 1.00 43.35 N ATOM 0 H LYS A 33 -14.936 19.282 -16.450 1.00 54.21 H new ATOM 0 HA LYS A 33 -16.161 16.832 -17.444 1.00 71.32 H new ATOM 0 HB2 LYS A 33 -14.615 17.197 -19.343 1.00 41.22 H new ATOM 0 HB3 LYS A 33 -15.616 18.600 -19.027 1.00 41.22 H new ATOM 0 HG2 LYS A 33 -13.457 19.240 -17.504 1.00 70.10 H new ATOM 0 HG3 LYS A 33 -12.671 18.256 -18.722 1.00 70.10 H new ATOM 0 HD2 LYS A 33 -14.436 20.683 -19.241 1.00 71.55 H new ATOM 0 HD3 LYS A 33 -12.691 20.623 -19.395 1.00 71.55 H new ATOM 0 HE2 LYS A 33 -12.807 19.719 -21.465 1.00 22.05 H new ATOM 0 HE3 LYS A 33 -13.928 18.478 -20.941 1.00 22.05 H new ATOM 0 HZ1 LYS A 33 -14.914 19.899 -22.617 1.00 43.35 H new ATOM 0 HZ2 LYS A 33 -15.746 20.072 -21.147 1.00 43.35 H new ATOM 0 HZ3 LYS A 33 -14.660 21.275 -21.655 1.00 43.35 H new ATOM 565 N TRP A 34 -13.636 15.610 -17.697 1.00 13.15 N ATOM 566 CA TRP A 34 -12.604 14.643 -17.343 1.00 25.22 C ATOM 567 C TRP A 34 -11.428 14.723 -18.311 1.00 32.23 C ATOM 568 O TRP A 34 -11.356 13.967 -19.280 1.00 54.21 O ATOM 569 CB TRP A 34 -13.182 13.227 -17.339 1.00 62.23 C ATOM 570 CG TRP A 34 -14.349 13.064 -16.414 1.00 14.23 C ATOM 571 CD1 TRP A 34 -14.508 13.640 -15.186 1.00 21.05 C ATOM 572 CD2 TRP A 34 -15.520 12.272 -16.642 1.00 21.12 C ATOM 573 NE1 TRP A 34 -15.707 13.253 -14.636 1.00 44.23 N ATOM 574 CE2 TRP A 34 -16.347 12.415 -15.510 1.00 64.22 C ATOM 575 CE3 TRP A 34 -15.951 11.458 -17.692 1.00 72.43 C ATOM 576 CZ2 TRP A 34 -17.577 11.772 -15.402 1.00 1.13 C ATOM 577 CZ3 TRP A 34 -17.172 10.820 -17.583 1.00 13.21 C ATOM 578 CH2 TRP A 34 -17.974 10.981 -16.445 1.00 71.20 C ATOM 0 H TRP A 34 -13.903 15.601 -18.681 1.00 13.15 H new ATOM 0 HA TRP A 34 -12.244 14.883 -16.343 1.00 25.22 H new ATOM 0 HB2 TRP A 34 -13.491 12.966 -18.351 1.00 62.23 H new ATOM 0 HB3 TRP A 34 -12.400 12.524 -17.053 1.00 62.23 H new ATOM 0 HD1 TRP A 34 -13.796 14.302 -14.716 1.00 21.05 H new ATOM 0 HE1 TRP A 34 -16.062 13.543 -13.725 1.00 44.23 H new ATOM 0 HE3 TRP A 34 -15.341 11.329 -18.574 1.00 72.43 H new ATOM 0 HZ2 TRP A 34 -18.196 11.893 -14.525 1.00 1.13 H new ATOM 0 HZ3 TRP A 34 -17.514 10.187 -18.388 1.00 13.21 H new ATOM 0 HH2 TRP A 34 -18.924 10.471 -16.390 1.00 71.20 H new ATOM 754 N GLU A 45 -20.845 18.187 -9.593 1.00 65.11 N ATOM 755 CA GLU A 45 -20.408 18.060 -8.208 1.00 31.44 C ATOM 756 C GLU A 45 -20.748 19.317 -7.412 1.00 73.33 C ATOM 757 O GLU A 45 -20.338 20.422 -7.769 1.00 71.31 O ATOM 758 CB GLU A 45 -18.902 17.796 -8.146 1.00 71.12 C ATOM 759 CG GLU A 45 -18.467 16.568 -8.928 1.00 21.33 C ATOM 760 CD GLU A 45 -17.802 16.919 -10.244 1.00 51.44 C ATOM 761 OE1 GLU A 45 -18.155 17.966 -10.827 1.00 5.23 O ATOM 762 OE2 GLU A 45 -16.929 16.147 -10.692 1.00 63.02 O ATOM 0 HA GLU A 45 -20.936 17.216 -7.764 1.00 31.44 H new ATOM 0 HB2 GLU A 45 -18.373 18.668 -8.531 1.00 71.12 H new ATOM 0 HB3 GLU A 45 -18.605 17.677 -7.104 1.00 71.12 H new ATOM 0 HG2 GLU A 45 -17.777 15.982 -8.322 1.00 21.33 H new ATOM 0 HG3 GLU A 45 -19.336 15.938 -9.121 1.00 21.33 H new ATOM 769 N THR A 46 -21.502 19.140 -6.332 1.00 12.35 N ATOM 770 CA THR A 46 -21.900 20.259 -5.486 1.00 63.10 C ATOM 771 C THR A 46 -20.737 21.219 -5.261 1.00 61.34 C ATOM 772 O THR A 46 -19.576 20.811 -5.256 1.00 71.43 O ATOM 773 CB THR A 46 -22.421 19.773 -4.120 1.00 41.33 C ATOM 774 OG1 THR A 46 -21.938 18.452 -3.853 1.00 72.24 O ATOM 775 CG2 THR A 46 -23.942 19.779 -4.088 1.00 43.32 C ATOM 0 H THR A 46 -21.850 18.232 -6.022 1.00 12.35 H new ATOM 0 HA THR A 46 -22.702 20.780 -6.008 1.00 63.10 H new ATOM 0 HB THR A 46 -22.055 20.455 -3.353 1.00 41.33 H new ATOM 0 HG1 THR A 46 -22.649 17.922 -3.435 1.00 72.24 H new ATOM 0 HG21 THR A 46 -24.287 19.432 -3.114 1.00 43.32 H new ATOM 0 HG22 THR A 46 -24.306 20.792 -4.262 1.00 43.32 H new ATOM 0 HG23 THR A 46 -24.325 19.117 -4.865 1.00 43.32 H new ATOM 783 N GLU A 47 -21.057 22.496 -5.075 1.00 61.54 N ATOM 784 CA GLU A 47 -20.037 23.513 -4.850 1.00 61.03 C ATOM 785 C GLU A 47 -19.216 23.194 -3.604 1.00 62.13 C ATOM 786 O GLU A 47 -18.091 23.670 -3.450 1.00 51.32 O ATOM 787 CB GLU A 47 -20.684 24.893 -4.709 1.00 25.51 C ATOM 788 CG GLU A 47 -19.775 25.927 -4.067 1.00 12.54 C ATOM 789 CD GLU A 47 -20.413 27.301 -3.998 1.00 14.34 C ATOM 790 OE1 GLU A 47 -21.643 27.375 -3.796 1.00 14.32 O ATOM 791 OE2 GLU A 47 -19.682 28.303 -4.145 1.00 62.34 O ATOM 0 H GLU A 47 -22.014 22.850 -5.076 1.00 61.54 H new ATOM 0 HA GLU A 47 -19.370 23.519 -5.712 1.00 61.03 H new ATOM 0 HB2 GLU A 47 -20.984 25.247 -5.695 1.00 25.51 H new ATOM 0 HB3 GLU A 47 -21.592 24.800 -4.114 1.00 25.51 H new ATOM 0 HG2 GLU A 47 -19.514 25.601 -3.060 1.00 12.54 H new ATOM 0 HG3 GLU A 47 -18.846 25.990 -4.633 1.00 12.54 H new ATOM 798 N ASP A 48 -19.787 22.385 -2.718 1.00 44.41 N ATOM 799 CA ASP A 48 -19.109 22.002 -1.485 1.00 65.44 C ATOM 800 C ASP A 48 -18.451 20.633 -1.631 1.00 24.13 C ATOM 801 O ASP A 48 -17.830 20.129 -0.695 1.00 3.15 O ATOM 802 CB ASP A 48 -20.097 21.985 -0.318 1.00 70.24 C ATOM 803 CG ASP A 48 -19.900 23.156 0.624 1.00 20.21 C ATOM 804 OD1 ASP A 48 -19.661 24.279 0.133 1.00 70.52 O ATOM 805 OD2 ASP A 48 -19.984 22.949 1.853 1.00 2.41 O ATOM 0 H ASP A 48 -20.717 21.982 -2.831 1.00 44.41 H new ATOM 0 HA ASP A 48 -18.333 22.739 -1.282 1.00 65.44 H new ATOM 0 HB2 ASP A 48 -21.115 22.003 -0.707 1.00 70.24 H new ATOM 0 HB3 ASP A 48 -19.984 21.053 0.236 1.00 70.24 H new ATOM 810 N ASP A 49 -18.592 20.036 -2.809 1.00 51.42 N ATOM 811 CA ASP A 49 -18.012 18.726 -3.077 1.00 64.33 C ATOM 812 C ASP A 49 -17.087 18.779 -4.289 1.00 61.44 C ATOM 813 O ASP A 49 -16.396 17.807 -4.598 1.00 53.02 O ATOM 814 CB ASP A 49 -19.116 17.693 -3.307 1.00 62.33 C ATOM 815 CG ASP A 49 -20.003 17.513 -2.091 1.00 52.33 C ATOM 816 OD1 ASP A 49 -19.768 18.204 -1.078 1.00 42.34 O ATOM 817 OD2 ASP A 49 -20.933 16.681 -2.152 1.00 43.12 O ATOM 0 H ASP A 49 -19.103 20.439 -3.594 1.00 51.42 H new ATOM 0 HA ASP A 49 -17.425 18.431 -2.207 1.00 64.33 H new ATOM 0 HB2 ASP A 49 -19.726 18.001 -4.156 1.00 62.33 H new ATOM 0 HB3 ASP A 49 -18.665 16.736 -3.569 1.00 62.33 H new ATOM 822 N ILE A 50 -17.080 19.918 -4.973 1.00 0.25 N ATOM 823 CA ILE A 50 -16.240 20.097 -6.151 1.00 13.15 C ATOM 824 C ILE A 50 -14.946 20.821 -5.798 1.00 5.21 C ATOM 825 O ILE A 50 -13.896 20.559 -6.385 1.00 41.04 O ATOM 826 CB ILE A 50 -16.974 20.887 -7.250 1.00 51.22 C ATOM 827 CG1 ILE A 50 -16.124 20.943 -8.521 1.00 55.35 C ATOM 828 CG2 ILE A 50 -17.303 22.291 -6.764 1.00 60.20 C ATOM 829 CD1 ILE A 50 -16.761 20.248 -9.705 1.00 23.25 C ATOM 0 H ILE A 50 -17.647 20.731 -4.732 1.00 0.25 H new ATOM 0 HA ILE A 50 -16.005 19.101 -6.526 1.00 13.15 H new ATOM 0 HB ILE A 50 -17.909 20.376 -7.482 1.00 51.22 H new ATOM 0 HG12 ILE A 50 -15.938 21.986 -8.779 1.00 55.35 H new ATOM 0 HG13 ILE A 50 -15.155 20.487 -8.321 1.00 55.35 H new ATOM 0 HG21 ILE A 50 -17.822 22.837 -7.552 1.00 60.20 H new ATOM 0 HG22 ILE A 50 -17.942 22.231 -5.883 1.00 60.20 H new ATOM 0 HG23 ILE A 50 -16.381 22.813 -6.508 1.00 60.20 H new ATOM 0 HD11 ILE A 50 -16.103 20.327 -10.571 1.00 23.25 H new ATOM 0 HD12 ILE A 50 -16.922 19.197 -9.467 1.00 23.25 H new ATOM 0 HD13 ILE A 50 -17.718 20.719 -9.932 1.00 23.25 H new ATOM 841 N ARG A 51 -15.027 21.732 -4.834 1.00 11.14 N ATOM 842 CA ARG A 51 -13.862 22.494 -4.402 1.00 4.03 C ATOM 843 C ARG A 51 -12.970 21.654 -3.492 1.00 45.13 C ATOM 844 O ARG A 51 -11.808 21.990 -3.261 1.00 4.44 O ATOM 845 CB ARG A 51 -14.299 23.766 -3.672 1.00 63.40 C ATOM 846 CG ARG A 51 -14.160 23.679 -2.161 1.00 21.11 C ATOM 847 CD ARG A 51 -15.154 22.694 -1.566 1.00 24.42 C ATOM 848 NE ARG A 51 -15.882 23.266 -0.437 1.00 32.43 N ATOM 849 CZ ARG A 51 -15.401 23.312 0.801 1.00 75.43 C ATOM 850 NH1 ARG A 51 -14.198 22.822 1.067 1.00 52.53 N ATOM 851 NH2 ARG A 51 -16.125 23.848 1.775 1.00 2.32 N ATOM 0 H ARG A 51 -15.888 21.960 -4.337 1.00 11.14 H new ATOM 0 HA ARG A 51 -13.291 22.770 -5.288 1.00 4.03 H new ATOM 0 HB2 ARG A 51 -13.706 24.605 -4.035 1.00 63.40 H new ATOM 0 HB3 ARG A 51 -15.339 23.979 -3.921 1.00 63.40 H new ATOM 0 HG2 ARG A 51 -13.146 23.373 -1.905 1.00 21.11 H new ATOM 0 HG3 ARG A 51 -14.316 24.665 -1.723 1.00 21.11 H new ATOM 0 HD2 ARG A 51 -15.862 22.385 -2.335 1.00 24.42 H new ATOM 0 HD3 ARG A 51 -14.626 21.798 -1.240 1.00 24.42 H new ATOM 0 HE ARG A 51 -16.811 23.651 -0.608 1.00 32.43 H new ATOM 0 HH11 ARG A 51 -13.639 22.408 0.321 1.00 52.53 H new ATOM 0 HH12 ARG A 51 -13.831 22.859 2.018 1.00 52.53 H new ATOM 0 HH21 ARG A 51 -17.051 24.225 1.574 1.00 2.32 H new ATOM 0 HH22 ARG A 51 -15.755 23.883 2.725 1.00 2.32 H new ATOM 865 N THR A 52 -13.521 20.559 -2.978 1.00 61.13 N ATOM 866 CA THR A 52 -12.777 19.672 -2.093 1.00 62.23 C ATOM 867 C THR A 52 -11.975 18.648 -2.888 1.00 73.54 C ATOM 868 O THR A 52 -10.872 18.267 -2.496 1.00 60.24 O ATOM 869 CB THR A 52 -13.715 18.931 -1.122 1.00 71.10 C ATOM 870 OG1 THR A 52 -12.950 18.113 -0.230 1.00 61.41 O ATOM 871 CG2 THR A 52 -14.710 18.067 -1.883 1.00 45.43 C ATOM 0 H THR A 52 -14.481 20.265 -3.160 1.00 61.13 H new ATOM 0 HA THR A 52 -12.094 20.298 -1.519 1.00 62.23 H new ATOM 0 HB THR A 52 -14.268 19.675 -0.548 1.00 71.10 H new ATOM 0 HG1 THR A 52 -13.554 17.646 0.385 1.00 61.41 H new ATOM 0 HG21 THR A 52 -15.362 17.554 -1.176 1.00 45.43 H new ATOM 0 HG22 THR A 52 -15.311 18.696 -2.539 1.00 45.43 H new ATOM 0 HG23 THR A 52 -14.171 17.331 -2.480 1.00 45.43 H new ATOM 879 N LYS A 53 -12.536 18.204 -4.008 1.00 53.54 N ATOM 880 CA LYS A 53 -11.873 17.225 -4.861 1.00 54.13 C ATOM 881 C LYS A 53 -11.253 17.898 -6.082 1.00 22.35 C ATOM 882 O LYS A 53 -10.216 17.462 -6.583 1.00 30.44 O ATOM 883 CB LYS A 53 -12.868 16.151 -5.308 1.00 40.32 C ATOM 884 CG LYS A 53 -13.696 15.578 -4.171 1.00 53.53 C ATOM 885 CD LYS A 53 -12.818 15.107 -3.024 1.00 54.40 C ATOM 886 CE LYS A 53 -13.645 14.493 -1.905 1.00 75.23 C ATOM 887 NZ LYS A 53 -13.097 13.180 -1.467 1.00 24.32 N ATOM 0 H LYS A 53 -13.449 18.507 -4.346 1.00 53.54 H new ATOM 0 HA LYS A 53 -11.077 16.756 -4.283 1.00 54.13 H new ATOM 0 HB2 LYS A 53 -13.538 16.577 -6.055 1.00 40.32 H new ATOM 0 HB3 LYS A 53 -12.322 15.341 -5.793 1.00 40.32 H new ATOM 0 HG2 LYS A 53 -14.393 16.334 -3.810 1.00 53.53 H new ATOM 0 HG3 LYS A 53 -14.293 14.744 -4.539 1.00 53.53 H new ATOM 0 HD2 LYS A 53 -12.100 14.374 -3.391 1.00 54.40 H new ATOM 0 HD3 LYS A 53 -12.244 15.948 -2.635 1.00 54.40 H new ATOM 0 HE2 LYS A 53 -13.672 15.177 -1.056 1.00 75.23 H new ATOM 0 HE3 LYS A 53 -14.673 14.363 -2.243 1.00 75.23 H new ATOM 0 HZ1 LYS A 53 -13.688 12.794 -0.703 1.00 24.32 H new ATOM 0 HZ2 LYS A 53 -13.095 12.519 -2.270 1.00 24.32 H new ATOM 0 HZ3 LYS A 53 -12.125 13.308 -1.121 1.00 24.32 H new ATOM 901 N TYR A 54 -11.892 18.962 -6.554 1.00 33.21 N ATOM 902 CA TYR A 54 -11.403 19.694 -7.716 1.00 71.11 C ATOM 903 C TYR A 54 -11.024 21.123 -7.340 1.00 24.23 C ATOM 904 O TYR A 54 -11.035 22.022 -8.179 1.00 63.02 O ATOM 905 CB TYR A 54 -12.463 19.710 -8.818 1.00 74.45 C ATOM 906 CG TYR A 54 -13.134 18.371 -9.033 1.00 43.41 C ATOM 907 CD1 TYR A 54 -14.094 17.902 -8.145 1.00 43.50 C ATOM 908 CD2 TYR A 54 -12.807 17.576 -10.125 1.00 13.21 C ATOM 909 CE1 TYR A 54 -14.708 16.680 -8.337 1.00 1.11 C ATOM 910 CE2 TYR A 54 -13.417 16.353 -10.326 1.00 14.14 C ATOM 911 CZ TYR A 54 -14.367 15.909 -9.429 1.00 4.34 C ATOM 912 OH TYR A 54 -14.977 14.692 -9.624 1.00 72.41 O ATOM 0 H TYR A 54 -12.750 19.337 -6.150 1.00 33.21 H new ATOM 0 HA TYR A 54 -10.512 19.186 -8.085 1.00 71.11 H new ATOM 0 HB2 TYR A 54 -13.222 20.452 -8.569 1.00 74.45 H new ATOM 0 HB3 TYR A 54 -12.000 20.029 -9.752 1.00 74.45 H new ATOM 0 HD1 TYR A 54 -14.365 18.503 -7.290 1.00 43.50 H new ATOM 0 HD2 TYR A 54 -12.063 17.920 -10.828 1.00 13.21 H new ATOM 0 HE1 TYR A 54 -15.451 16.330 -7.636 1.00 1.11 H new ATOM 0 HE2 TYR A 54 -13.152 15.748 -11.180 1.00 14.14 H new ATOM 0 HH TYR A 54 -15.846 14.827 -10.056 1.00 72.41 H new ATOM 922 N GLY A 55 -10.687 21.324 -6.069 1.00 62.31 N ATOM 923 CA GLY A 55 -10.308 22.644 -5.602 1.00 43.41 C ATOM 924 C GLY A 55 -9.253 23.289 -6.480 1.00 14.22 C ATOM 925 O GLY A 55 -9.120 24.513 -6.505 1.00 32.15 O ATOM 0 H GLY A 55 -10.670 20.596 -5.355 1.00 62.31 H new ATOM 0 HA2 GLY A 55 -11.191 23.283 -5.571 1.00 43.41 H new ATOM 0 HA3 GLY A 55 -9.932 22.571 -4.582 1.00 43.41 H new ATOM 929 N ASP A 56 -8.501 22.465 -7.201 1.00 12.04 N ATOM 930 CA ASP A 56 -7.452 22.962 -8.084 1.00 14.05 C ATOM 931 C ASP A 56 -8.041 23.831 -9.191 1.00 3.13 C ATOM 932 O ASP A 56 -7.633 24.978 -9.377 1.00 44.23 O ATOM 933 CB ASP A 56 -6.674 21.795 -8.693 1.00 51.13 C ATOM 934 CG ASP A 56 -5.896 22.201 -9.929 1.00 43.32 C ATOM 935 OD1 ASP A 56 -5.037 23.101 -9.820 1.00 25.42 O ATOM 936 OD2 ASP A 56 -6.146 21.620 -11.006 1.00 53.42 O ATOM 0 H ASP A 56 -8.598 21.450 -7.191 1.00 12.04 H new ATOM 0 HA ASP A 56 -6.770 23.573 -7.492 1.00 14.05 H new ATOM 0 HB2 ASP A 56 -5.986 21.394 -7.949 1.00 51.13 H new ATOM 0 HB3 ASP A 56 -7.368 20.994 -8.950 1.00 51.13 H new ATOM 941 N LEU A 57 -9.001 23.277 -9.923 1.00 44.32 N ATOM 942 CA LEU A 57 -9.645 24.001 -11.014 1.00 11.35 C ATOM 943 C LEU A 57 -10.761 24.898 -10.487 1.00 2.20 C ATOM 944 O LEU A 57 -11.027 25.966 -11.040 1.00 23.34 O ATOM 945 CB LEU A 57 -10.208 23.019 -12.042 1.00 64.31 C ATOM 946 CG LEU A 57 -10.563 21.627 -11.517 1.00 2.31 C ATOM 947 CD1 LEU A 57 -11.715 21.035 -12.313 1.00 33.44 C ATOM 948 CD2 LEU A 57 -9.349 20.711 -11.570 1.00 42.21 C ATOM 0 H LEU A 57 -9.351 22.329 -9.781 1.00 44.32 H new ATOM 0 HA LEU A 57 -8.894 24.629 -11.494 1.00 11.35 H new ATOM 0 HB2 LEU A 57 -11.103 23.458 -12.482 1.00 64.31 H new ATOM 0 HB3 LEU A 57 -9.480 22.908 -12.845 1.00 64.31 H new ATOM 0 HG LEU A 57 -10.877 21.721 -10.477 1.00 2.31 H new ATOM 0 HD11 LEU A 57 -11.954 20.045 -11.926 1.00 33.44 H new ATOM 0 HD12 LEU A 57 -12.589 21.680 -12.223 1.00 33.44 H new ATOM 0 HD13 LEU A 57 -11.429 20.955 -13.362 1.00 33.44 H new ATOM 0 HD21 LEU A 57 -9.620 19.725 -11.193 1.00 42.21 H new ATOM 0 HD22 LEU A 57 -9.004 20.623 -12.600 1.00 42.21 H new ATOM 0 HD23 LEU A 57 -8.551 21.128 -10.955 1.00 42.21 H new ATOM 960 N VAL A 58 -11.410 24.458 -9.413 1.00 41.45 N ATOM 961 CA VAL A 58 -12.495 25.223 -8.810 1.00 22.44 C ATOM 962 C VAL A 58 -12.048 26.641 -8.475 1.00 41.44 C ATOM 963 O VAL A 58 -12.794 27.601 -8.672 1.00 31.31 O ATOM 964 CB VAL A 58 -13.014 24.544 -7.528 1.00 5.22 C ATOM 965 CG1 VAL A 58 -14.009 25.445 -6.812 1.00 72.54 C ATOM 966 CG2 VAL A 58 -13.640 23.197 -7.855 1.00 23.13 C ATOM 0 H VAL A 58 -11.203 23.577 -8.943 1.00 41.45 H new ATOM 0 HA VAL A 58 -13.300 25.263 -9.544 1.00 22.44 H new ATOM 0 HB VAL A 58 -12.170 24.373 -6.860 1.00 5.22 H new ATOM 0 HG11 VAL A 58 -14.365 24.949 -5.909 1.00 72.54 H new ATOM 0 HG12 VAL A 58 -13.523 26.383 -6.543 1.00 72.54 H new ATOM 0 HG13 VAL A 58 -14.853 25.650 -7.470 1.00 72.54 H new ATOM 0 HG21 VAL A 58 -14.001 22.731 -6.938 1.00 23.13 H new ATOM 0 HG22 VAL A 58 -14.474 23.341 -8.542 1.00 23.13 H new ATOM 0 HG23 VAL A 58 -12.894 22.552 -8.320 1.00 23.13 H new ATOM 976 N ASP A 59 -10.826 26.767 -7.970 1.00 1.01 N ATOM 977 CA ASP A 59 -10.278 28.069 -7.609 1.00 42.54 C ATOM 978 C ASP A 59 -9.755 28.799 -8.843 1.00 5.13 C ATOM 979 O ASP A 59 -9.181 29.883 -8.738 1.00 3.21 O ATOM 980 CB ASP A 59 -9.156 27.908 -6.583 1.00 23.13 C ATOM 981 CG ASP A 59 -9.677 27.527 -5.211 1.00 24.11 C ATOM 982 OD1 ASP A 59 -10.612 26.703 -5.140 1.00 20.13 O ATOM 983 OD2 ASP A 59 -9.149 28.053 -4.208 1.00 55.54 O ATOM 0 H ASP A 59 -10.196 25.983 -7.801 1.00 1.01 H new ATOM 0 HA ASP A 59 -11.079 28.663 -7.169 1.00 42.54 H new ATOM 0 HB2 ASP A 59 -8.458 27.145 -6.928 1.00 23.13 H new ATOM 0 HB3 ASP A 59 -8.597 28.841 -6.510 1.00 23.13 H new ATOM 988 N ASP A 60 -9.956 28.197 -10.010 1.00 25.25 N ATOM 989 CA ASP A 60 -9.504 28.789 -11.263 1.00 70.04 C ATOM 990 C ASP A 60 -10.691 29.187 -12.135 1.00 11.12 C ATOM 991 O ASP A 60 -10.554 29.988 -13.060 1.00 75.53 O ATOM 992 CB ASP A 60 -8.606 27.810 -12.020 1.00 65.43 C ATOM 993 CG ASP A 60 -7.132 28.103 -11.820 1.00 63.11 C ATOM 994 OD1 ASP A 60 -6.726 28.340 -10.663 1.00 72.12 O ATOM 995 OD2 ASP A 60 -6.384 28.096 -12.820 1.00 42.35 O ATOM 0 H ASP A 60 -10.429 27.299 -10.114 1.00 25.25 H new ATOM 0 HA ASP A 60 -8.932 29.686 -11.027 1.00 70.04 H new ATOM 0 HB2 ASP A 60 -8.820 26.794 -11.688 1.00 65.43 H new ATOM 0 HB3 ASP A 60 -8.841 27.854 -13.083 1.00 65.43 H new ATOM 1000 N PHE A 61 -11.856 28.622 -11.833 1.00 44.34 N ATOM 1001 CA PHE A 61 -13.067 28.917 -12.590 1.00 62.55 C ATOM 1002 C PHE A 61 -13.942 29.921 -11.847 1.00 51.31 C ATOM 1003 O PHE A 61 -14.194 31.022 -12.337 1.00 22.32 O ATOM 1004 CB PHE A 61 -13.855 27.631 -12.852 1.00 11.51 C ATOM 1005 CG PHE A 61 -15.200 27.870 -13.477 1.00 21.12 C ATOM 1006 CD1 PHE A 61 -15.325 28.018 -14.849 1.00 24.12 C ATOM 1007 CD2 PHE A 61 -16.339 27.946 -12.692 1.00 54.42 C ATOM 1008 CE1 PHE A 61 -16.561 28.237 -15.427 1.00 42.02 C ATOM 1009 CE2 PHE A 61 -17.578 28.165 -13.265 1.00 31.11 C ATOM 1010 CZ PHE A 61 -17.689 28.312 -14.634 1.00 22.41 C ATOM 0 H PHE A 61 -11.987 27.958 -11.070 1.00 44.34 H new ATOM 0 HA PHE A 61 -12.772 29.355 -13.543 1.00 62.55 H new ATOM 0 HB2 PHE A 61 -13.270 26.982 -13.504 1.00 11.51 H new ATOM 0 HB3 PHE A 61 -13.990 27.099 -11.910 1.00 11.51 H new ATOM 0 HD1 PHE A 61 -14.446 27.962 -15.474 1.00 24.12 H new ATOM 0 HD2 PHE A 61 -16.258 27.833 -11.621 1.00 54.42 H new ATOM 0 HE1 PHE A 61 -16.645 28.349 -16.498 1.00 42.02 H new ATOM 0 HE2 PHE A 61 -18.459 28.221 -12.642 1.00 31.11 H new ATOM 0 HZ PHE A 61 -18.656 28.485 -15.083 1.00 22.41 H new