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+ -157:sc=-0.00336 (180deg=-0.264) 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=-0.012) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0129 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 36:sc= 0.0706 USER MOD Single : A 33 LYS NZ :NH3+ -167:sc= -0.0876 (180deg=-0.433) USER MOD Single : A 46 THR OG1 : rot -170:sc= -1.66 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -165:sc= 0.0577 (180deg=0.0328) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.467 21.900 -19.137 1.00 72.53 N ATOM 248 CA GLU A 16 -9.420 23.262 -19.656 1.00 23.43 C ATOM 249 C GLU A 16 -9.820 24.267 -18.580 1.00 55.33 C ATOM 250 O GLU A 16 -9.006 25.078 -18.139 1.00 63.01 O ATOM 251 CB GLU A 16 -10.341 23.402 -20.869 1.00 72.52 C ATOM 252 CG GLU A 16 -9.601 23.673 -22.168 1.00 25.51 C ATOM 253 CD GLU A 16 -9.551 25.148 -22.514 1.00 74.15 C ATOM 254 OE1 GLU A 16 -9.488 25.975 -21.582 1.00 3.45 O ATOM 255 OE2 GLU A 16 -9.576 25.475 -23.720 1.00 34.33 O ATOM 0 HA GLU A 16 -8.395 23.472 -19.962 1.00 23.43 H new ATOM 0 HB2 GLU A 16 -10.926 22.489 -20.978 1.00 72.52 H new ATOM 0 HB3 GLU A 16 -11.047 24.213 -20.687 1.00 72.52 H new ATOM 0 HG2 GLU A 16 -8.585 23.287 -22.090 1.00 25.51 H new ATOM 0 HG3 GLU A 16 -10.087 23.130 -22.979 1.00 25.51 H new ATOM 262 N ARG A 17 -11.081 24.208 -18.164 1.00 12.52 N ATOM 263 CA ARG A 17 -11.591 25.115 -17.142 1.00 33.41 C ATOM 264 C ARG A 17 -13.014 24.736 -16.741 1.00 52.42 C ATOM 265 O ARG A 17 -13.680 23.966 -17.433 1.00 53.14 O ATOM 266 CB ARG A 17 -11.559 26.558 -17.648 1.00 31.12 C ATOM 267 CG ARG A 17 -12.827 26.977 -18.374 1.00 44.13 C ATOM 268 CD ARG A 17 -13.113 26.072 -19.562 1.00 72.30 C ATOM 269 NE ARG A 17 -13.626 26.818 -20.708 1.00 22.00 N ATOM 270 CZ ARG A 17 -14.820 27.399 -20.732 1.00 0.31 C ATOM 271 NH1 ARG A 17 -15.620 27.321 -19.678 1.00 12.24 N ATOM 272 NH2 ARG A 17 -15.216 28.061 -21.812 1.00 23.11 N ATOM 0 H ARG A 17 -11.768 23.542 -18.518 1.00 12.52 H new ATOM 0 HA ARG A 17 -10.950 25.031 -16.265 1.00 33.41 H new ATOM 0 HB2 ARG A 17 -11.396 27.227 -16.803 1.00 31.12 H new ATOM 0 HB3 ARG A 17 -10.709 26.680 -18.319 1.00 31.12 H new ATOM 0 HG2 ARG A 17 -13.669 26.949 -17.683 1.00 44.13 H new ATOM 0 HG3 ARG A 17 -12.729 28.007 -18.715 1.00 44.13 H new ATOM 0 HD2 ARG A 17 -12.200 25.551 -19.848 1.00 72.30 H new ATOM 0 HD3 ARG A 17 -13.837 25.311 -19.272 1.00 72.30 H new ATOM 0 HE ARG A 17 -13.035 26.897 -21.535 1.00 22.00 H new ATOM 0 HH11 ARG A 17 -15.319 26.814 -18.846 1.00 12.24 H new ATOM 0 HH12 ARG A 17 -16.536 27.768 -19.699 1.00 12.24 H new ATOM 0 HH21 ARG A 17 -14.603 28.124 -22.625 1.00 23.11 H new ATOM 0 HH22 ARG A 17 -16.133 28.507 -21.829 1.00 23.11 H new ATOM 286 N ILE A 18 -13.473 25.283 -15.620 1.00 64.31 N ATOM 287 CA ILE A 18 -14.816 25.003 -15.128 1.00 62.12 C ATOM 288 C ILE A 18 -15.874 25.618 -16.038 1.00 3.21 C ATOM 289 O ILE A 18 -16.027 26.839 -16.093 1.00 62.52 O ATOM 290 CB ILE A 18 -15.013 25.535 -13.697 1.00 14.34 C ATOM 291 CG1 ILE A 18 -13.927 24.986 -12.770 1.00 63.22 C ATOM 292 CG2 ILE A 18 -16.395 25.164 -13.180 1.00 13.35 C ATOM 293 CD1 ILE A 18 -14.204 23.582 -12.279 1.00 15.31 C ATOM 0 H ILE A 18 -12.934 25.922 -15.036 1.00 64.31 H new ATOM 0 HA ILE A 18 -14.931 23.919 -15.123 1.00 62.12 H new ATOM 0 HB ILE A 18 -14.932 26.622 -13.716 1.00 14.34 H new ATOM 0 HG12 ILE A 18 -12.972 24.996 -13.296 1.00 63.22 H new ATOM 0 HG13 ILE A 18 -13.825 25.649 -11.911 1.00 63.22 H new ATOM 0 HG21 ILE A 18 -16.519 25.547 -12.167 1.00 13.35 H new ATOM 0 HG22 ILE A 18 -17.155 25.600 -13.829 1.00 13.35 H new ATOM 0 HG23 ILE A 18 -16.502 24.079 -13.173 1.00 13.35 H new ATOM 0 HD11 ILE A 18 -13.393 23.258 -11.627 1.00 15.31 H new ATOM 0 HD12 ILE A 18 -15.142 23.569 -11.725 1.00 15.31 H new ATOM 0 HD13 ILE A 18 -14.277 22.906 -13.131 1.00 15.31 H new ATOM 305 N VAL A 19 -16.603 24.765 -16.749 1.00 75.15 N ATOM 306 CA VAL A 19 -17.650 25.224 -17.655 1.00 62.11 C ATOM 307 C VAL A 19 -18.714 26.019 -16.907 1.00 41.42 C ATOM 308 O VAL A 19 -19.005 27.164 -17.254 1.00 13.35 O ATOM 309 CB VAL A 19 -18.322 24.043 -18.380 1.00 54.12 C ATOM 310 CG1 VAL A 19 -19.207 24.545 -19.512 1.00 23.24 C ATOM 311 CG2 VAL A 19 -17.274 23.072 -18.902 1.00 50.32 C ATOM 0 H VAL A 19 -16.488 23.752 -16.716 1.00 75.15 H new ATOM 0 HA VAL A 19 -17.171 25.868 -18.392 1.00 62.11 H new ATOM 0 HB VAL A 19 -18.952 23.512 -17.666 1.00 54.12 H new ATOM 0 HG11 VAL A 19 -19.673 23.697 -20.013 1.00 23.24 H new ATOM 0 HG12 VAL A 19 -19.981 25.198 -19.107 1.00 23.24 H new ATOM 0 HG13 VAL A 19 -18.602 25.101 -20.228 1.00 23.24 H new ATOM 0 HG21 VAL A 19 -17.767 22.244 -19.411 1.00 50.32 H new ATOM 0 HG22 VAL A 19 -16.616 23.588 -19.601 1.00 50.32 H new ATOM 0 HG23 VAL A 19 -16.687 22.687 -18.068 1.00 50.32 H new ATOM 321 N ARG A 20 -19.291 25.405 -15.879 1.00 44.15 N ATOM 322 CA ARG A 20 -20.323 26.056 -15.082 1.00 75.33 C ATOM 323 C ARG A 20 -20.513 25.339 -13.749 1.00 33.32 C ATOM 324 O ARG A 20 -19.761 24.425 -13.410 1.00 4.33 O ATOM 325 CB ARG A 20 -21.646 26.086 -15.850 1.00 14.51 C ATOM 326 CG ARG A 20 -22.160 24.708 -16.233 1.00 54.41 C ATOM 327 CD ARG A 20 -21.780 24.349 -17.661 1.00 54.20 C ATOM 328 NE ARG A 20 -22.949 24.017 -18.471 1.00 70.42 N ATOM 329 CZ ARG A 20 -23.744 24.927 -19.023 1.00 63.33 C ATOM 330 NH1 ARG A 20 -23.496 26.218 -18.854 1.00 13.15 N ATOM 331 NH2 ARG A 20 -24.788 24.545 -19.747 1.00 52.45 N ATOM 0 H ARG A 20 -19.061 24.458 -15.579 1.00 44.15 H new ATOM 0 HA ARG A 20 -20.003 27.079 -14.883 1.00 75.33 H new ATOM 0 HB2 ARG A 20 -22.398 26.589 -15.242 1.00 14.51 H new ATOM 0 HB3 ARG A 20 -21.518 26.681 -16.754 1.00 14.51 H new ATOM 0 HG2 ARG A 20 -21.753 23.963 -15.549 1.00 54.41 H new ATOM 0 HG3 ARG A 20 -23.244 24.680 -16.126 1.00 54.41 H new ATOM 0 HD2 ARG A 20 -21.249 25.185 -18.116 1.00 54.20 H new ATOM 0 HD3 ARG A 20 -21.093 23.503 -17.652 1.00 54.20 H new ATOM 0 HE ARG A 20 -23.167 23.032 -18.621 1.00 70.42 H new ATOM 0 HH11 ARG A 20 -22.693 26.515 -18.299 1.00 13.15 H new ATOM 0 HH12 ARG A 20 -24.108 26.915 -19.279 1.00 13.15 H new ATOM 0 HH21 ARG A 20 -24.981 23.552 -19.880 1.00 52.45 H new ATOM 0 HH22 ARG A 20 -25.398 25.244 -20.171 1.00 52.45 H new ATOM 345 N LYS A 21 -21.524 25.759 -12.996 1.00 10.14 N ATOM 346 CA LYS A 21 -21.815 25.158 -11.699 1.00 64.14 C ATOM 347 C LYS A 21 -23.291 25.311 -11.347 1.00 41.13 C ATOM 348 O LYS A 21 -23.977 26.188 -11.872 1.00 12.52 O ATOM 349 CB LYS A 21 -20.951 25.799 -10.611 1.00 44.44 C ATOM 350 CG LYS A 21 -21.334 27.235 -10.298 1.00 14.23 C ATOM 351 CD LYS A 21 -20.711 27.707 -8.995 1.00 33.14 C ATOM 352 CE LYS A 21 -21.688 28.541 -8.180 1.00 20.25 C ATOM 353 NZ LYS A 21 -22.291 29.637 -8.988 1.00 22.41 N ATOM 0 H LYS A 21 -22.156 26.514 -13.262 1.00 10.14 H new ATOM 0 HA LYS A 21 -21.582 24.095 -11.759 1.00 64.14 H new ATOM 0 HB2 LYS A 21 -21.028 25.205 -9.701 1.00 44.44 H new ATOM 0 HB3 LYS A 21 -19.907 25.770 -10.924 1.00 44.44 H new ATOM 0 HG2 LYS A 21 -21.012 27.884 -11.112 1.00 14.23 H new ATOM 0 HG3 LYS A 21 -22.419 27.318 -10.234 1.00 14.23 H new ATOM 0 HD2 LYS A 21 -20.391 26.845 -8.410 1.00 33.14 H new ATOM 0 HD3 LYS A 21 -19.819 28.296 -9.209 1.00 33.14 H new ATOM 0 HE2 LYS A 21 -22.479 27.898 -7.793 1.00 20.25 H new ATOM 0 HE3 LYS A 21 -21.172 28.966 -7.319 1.00 20.25 H new ATOM 0 HZ1 LYS A 21 -22.624 30.392 -8.355 1.00 22.41 H new ATOM 0 HZ2 LYS A 21 -21.577 30.021 -9.640 1.00 22.41 H new ATOM 0 HZ3 LYS A 21 -23.094 29.264 -9.534 1.00 22.41 H new ATOM 367 N LYS A 22 -23.774 24.453 -10.455 1.00 43.10 N ATOM 368 CA LYS A 22 -25.168 24.494 -10.030 1.00 2.21 C ATOM 369 C LYS A 22 -25.403 23.563 -8.845 1.00 60.20 C ATOM 370 O LYS A 22 -24.799 22.493 -8.755 1.00 52.41 O ATOM 371 CB LYS A 22 -26.088 24.104 -11.189 1.00 44.21 C ATOM 372 CG LYS A 22 -26.076 22.618 -11.502 1.00 25.13 C ATOM 373 CD LYS A 22 -27.380 21.952 -11.097 1.00 52.30 C ATOM 374 CE LYS A 22 -28.209 21.565 -12.312 1.00 43.13 C ATOM 375 NZ LYS A 22 -29.634 21.321 -11.957 1.00 52.40 N ATOM 0 H LYS A 22 -23.220 23.720 -10.012 1.00 43.10 H new ATOM 0 HA LYS A 22 -25.397 25.513 -9.720 1.00 2.21 H new ATOM 0 HB2 LYS A 22 -27.107 24.408 -10.951 1.00 44.21 H new ATOM 0 HB3 LYS A 22 -25.790 24.657 -12.080 1.00 44.21 H new ATOM 0 HG2 LYS A 22 -25.908 22.471 -12.569 1.00 25.13 H new ATOM 0 HG3 LYS A 22 -25.246 22.142 -10.980 1.00 25.13 H new ATOM 0 HD2 LYS A 22 -27.167 21.063 -10.503 1.00 52.30 H new ATOM 0 HD3 LYS A 22 -27.954 22.629 -10.464 1.00 52.30 H new ATOM 0 HE2 LYS A 22 -28.151 22.357 -13.058 1.00 43.13 H new ATOM 0 HE3 LYS A 22 -27.789 20.668 -12.767 1.00 43.13 H new ATOM 0 HZ1 LYS A 22 -30.165 21.060 -12.812 1.00 52.40 H new ATOM 0 HZ2 LYS A 22 -29.692 20.548 -11.264 1.00 52.40 H new ATOM 0 HZ3 LYS A 22 -30.042 22.185 -11.546 1.00 52.40 H new ATOM 389 N ILE A 23 -26.284 23.975 -7.940 1.00 10.21 N ATOM 390 CA ILE A 23 -26.600 23.176 -6.763 1.00 30.03 C ATOM 391 C ILE A 23 -28.002 22.584 -6.860 1.00 50.21 C ATOM 392 O ILE A 23 -28.891 23.166 -7.482 1.00 33.22 O ATOM 393 CB ILE A 23 -26.495 24.009 -5.472 1.00 13.32 C ATOM 394 CG1 ILE A 23 -27.777 24.816 -5.255 1.00 1.55 C ATOM 395 CG2 ILE A 23 -25.286 24.931 -5.533 1.00 34.01 C ATOM 396 CD1 ILE A 23 -28.783 24.124 -4.363 1.00 34.32 C ATOM 0 H ILE A 23 -26.792 24.858 -7.999 1.00 10.21 H new ATOM 0 HA ILE A 23 -25.869 22.368 -6.725 1.00 30.03 H new ATOM 0 HB ILE A 23 -26.367 23.331 -4.628 1.00 13.32 H new ATOM 0 HG12 ILE A 23 -27.520 25.781 -4.818 1.00 1.55 H new ATOM 0 HG13 ILE A 23 -28.238 25.017 -6.222 1.00 1.55 H new ATOM 0 HG21 ILE A 23 -25.226 25.513 -4.613 1.00 34.01 H new ATOM 0 HG22 ILE A 23 -24.380 24.336 -5.646 1.00 34.01 H new ATOM 0 HG23 ILE A 23 -25.385 25.606 -6.383 1.00 34.01 H new ATOM 0 HD11 ILE A 23 -29.666 24.754 -4.254 1.00 34.32 H new ATOM 0 HD12 ILE A 23 -29.069 23.171 -4.808 1.00 34.32 H new ATOM 0 HD13 ILE A 23 -28.340 23.948 -3.383 1.00 34.32 H new ATOM 408 N VAL A 24 -28.193 21.424 -6.240 1.00 13.22 N ATOM 409 CA VAL A 24 -29.488 20.754 -6.254 1.00 12.23 C ATOM 410 C VAL A 24 -29.835 20.200 -4.877 1.00 21.15 C ATOM 411 O VAL A 24 -29.074 19.424 -4.298 1.00 25.11 O ATOM 412 CB VAL A 24 -29.515 19.605 -7.279 1.00 43.21 C ATOM 413 CG1 VAL A 24 -30.878 19.517 -7.947 1.00 73.12 C ATOM 414 CG2 VAL A 24 -28.416 19.790 -8.314 1.00 44.24 C ATOM 0 H VAL A 24 -27.467 20.929 -5.722 1.00 13.22 H new ATOM 0 HA VAL A 24 -30.228 21.502 -6.539 1.00 12.23 H new ATOM 0 HB VAL A 24 -29.334 18.668 -6.753 1.00 43.21 H new ATOM 0 HG11 VAL A 24 -30.878 18.699 -8.668 1.00 73.12 H new ATOM 0 HG12 VAL A 24 -31.642 19.334 -7.192 1.00 73.12 H new ATOM 0 HG13 VAL A 24 -31.092 20.454 -8.461 1.00 73.12 H new ATOM 0 HG21 VAL A 24 -28.449 18.969 -9.031 1.00 44.24 H new ATOM 0 HG22 VAL A 24 -28.564 20.735 -8.837 1.00 44.24 H new ATOM 0 HG23 VAL A 24 -27.446 19.799 -7.817 1.00 44.24 H new ATOM 424 N HIS A 25 -30.990 20.603 -4.356 1.00 22.30 N ATOM 425 CA HIS A 25 -31.439 20.145 -3.046 1.00 1.11 C ATOM 426 C HIS A 25 -30.391 20.443 -1.978 1.00 22.22 C ATOM 427 O HIS A 25 -30.340 19.781 -0.942 1.00 71.42 O ATOM 428 CB HIS A 25 -31.737 18.646 -3.081 1.00 32.05 C ATOM 429 CG HIS A 25 -32.888 18.244 -2.210 1.00 24.12 C ATOM 430 ND1 HIS A 25 -32.738 17.868 -0.892 1.00 32.15 N ATOM 431 CD2 HIS A 25 -34.212 18.162 -2.475 1.00 73.00 C ATOM 432 CE1 HIS A 25 -33.921 17.570 -0.384 1.00 51.51 C ATOM 433 NE2 HIS A 25 -34.833 17.741 -1.325 1.00 2.15 N ATOM 0 H HIS A 25 -31.632 21.245 -4.821 1.00 22.30 H new ATOM 0 HA HIS A 25 -32.353 20.683 -2.794 1.00 1.11 H new ATOM 0 HB2 HIS A 25 -31.949 18.350 -4.108 1.00 32.05 H new ATOM 0 HB3 HIS A 25 -30.847 18.100 -2.768 1.00 32.05 H new ATOM 0 HD2 HIS A 25 -34.692 18.386 -3.416 1.00 73.00 H new ATOM 0 HE1 HIS A 25 -34.110 17.243 0.628 1.00 51.51 H new ATOM 0 HE2 HIS A 25 -35.835 17.586 -1.215 1.00 2.15 H new ATOM 441 N GLY A 26 -29.555 21.444 -2.238 1.00 61.41 N ATOM 442 CA GLY A 26 -28.519 21.810 -1.290 1.00 41.34 C ATOM 443 C GLY A 26 -27.198 21.128 -1.583 1.00 25.31 C ATOM 444 O GLY A 26 -26.307 21.095 -0.734 1.00 74.44 O ATOM 0 H GLY A 26 -29.577 22.008 -3.088 1.00 61.41 H new ATOM 0 HA2 GLY A 26 -28.379 22.891 -1.309 1.00 41.34 H new ATOM 0 HA3 GLY A 26 -28.844 21.549 -0.283 1.00 41.34 H new ATOM 448 N ASN A 27 -27.070 20.580 -2.787 1.00 70.21 N ATOM 449 CA ASN A 27 -25.848 19.892 -3.188 1.00 51.25 C ATOM 450 C ASN A 27 -25.191 20.597 -4.371 1.00 61.13 C ATOM 451 O ASN A 27 -25.664 20.505 -5.505 1.00 23.13 O ATOM 452 CB ASN A 27 -26.153 18.438 -3.552 1.00 63.41 C ATOM 453 CG ASN A 27 -26.753 17.665 -2.393 1.00 41.41 C ATOM 454 OD1 ASN A 27 -26.544 18.009 -1.229 1.00 60.25 O ATOM 455 ND2 ASN A 27 -27.503 16.616 -2.707 1.00 71.41 N ATOM 0 H ASN A 27 -27.797 20.599 -3.502 1.00 70.21 H new ATOM 0 HA ASN A 27 -25.156 19.911 -2.346 1.00 51.25 H new ATOM 0 HB2 ASN A 27 -26.842 18.415 -4.396 1.00 63.41 H new ATOM 0 HB3 ASN A 27 -25.235 17.947 -3.876 1.00 63.41 H new ATOM 0 HD21 ASN A 27 -27.934 16.058 -1.970 1.00 71.41 H new ATOM 0 HD22 ASN A 27 -27.649 16.368 -3.686 1.00 71.41 H new ATOM 462 N THR A 28 -24.096 21.301 -4.100 1.00 53.10 N ATOM 463 CA THR A 28 -23.374 22.022 -5.140 1.00 62.14 C ATOM 464 C THR A 28 -22.727 21.058 -6.129 1.00 5.54 C ATOM 465 O THR A 28 -22.271 19.979 -5.750 1.00 42.43 O ATOM 466 CB THR A 28 -22.286 22.932 -4.541 1.00 4.42 C ATOM 467 OG1 THR A 28 -22.735 23.479 -3.296 1.00 31.42 O ATOM 468 CG2 THR A 28 -21.936 24.061 -5.499 1.00 12.21 C ATOM 0 H THR A 28 -23.690 21.387 -3.168 1.00 53.10 H new ATOM 0 HA THR A 28 -24.105 22.639 -5.663 1.00 62.14 H new ATOM 0 HB THR A 28 -21.393 22.330 -4.372 1.00 4.42 H new ATOM 0 HG1 THR A 28 -22.037 24.055 -2.921 1.00 31.42 H new ATOM 0 HG21 THR A 28 -21.165 24.690 -5.054 1.00 12.21 H new ATOM 0 HG22 THR A 28 -21.567 23.642 -6.435 1.00 12.21 H new ATOM 0 HG23 THR A 28 -22.825 24.660 -5.695 1.00 12.21 H new ATOM 476 N SER A 29 -22.689 21.455 -7.397 1.00 3.44 N ATOM 477 CA SER A 29 -22.099 20.625 -8.440 1.00 74.13 C ATOM 478 C SER A 29 -21.358 21.481 -9.462 1.00 40.52 C ATOM 479 O SER A 29 -21.914 22.433 -10.012 1.00 70.50 O ATOM 480 CB SER A 29 -23.183 19.801 -9.139 1.00 10.23 C ATOM 481 OG SER A 29 -23.855 18.958 -8.219 1.00 62.00 O ATOM 0 H SER A 29 -23.060 22.346 -7.726 1.00 3.44 H new ATOM 0 HA SER A 29 -21.384 19.949 -7.971 1.00 74.13 H new ATOM 0 HB2 SER A 29 -23.900 20.468 -9.617 1.00 10.23 H new ATOM 0 HB3 SER A 29 -22.734 19.198 -9.928 1.00 10.23 H new ATOM 0 HG SER A 29 -24.544 18.443 -8.690 1.00 62.00 H new ATOM 487 N TYR A 30 -20.099 21.137 -9.711 1.00 55.13 N ATOM 488 CA TYR A 30 -19.280 21.875 -10.665 1.00 24.01 C ATOM 489 C TYR A 30 -19.114 21.090 -11.963 1.00 15.51 C ATOM 490 O TYR A 30 -18.518 20.013 -11.980 1.00 3.03 O ATOM 491 CB TYR A 30 -17.907 22.179 -10.062 1.00 33.15 C ATOM 492 CG TYR A 30 -17.897 23.394 -9.162 1.00 40.20 C ATOM 493 CD1 TYR A 30 -18.822 23.530 -8.134 1.00 71.41 C ATOM 494 CD2 TYR A 30 -16.963 24.407 -9.340 1.00 52.34 C ATOM 495 CE1 TYR A 30 -18.817 24.638 -7.310 1.00 51.51 C ATOM 496 CE2 TYR A 30 -16.950 25.519 -8.520 1.00 62.14 C ATOM 497 CZ TYR A 30 -17.879 25.630 -7.507 1.00 2.11 C ATOM 498 OH TYR A 30 -17.870 26.736 -6.689 1.00 4.52 O ATOM 0 H TYR A 30 -19.624 20.352 -9.266 1.00 55.13 H new ATOM 0 HA TYR A 30 -19.787 22.813 -10.891 1.00 24.01 H new ATOM 0 HB2 TYR A 30 -17.569 21.313 -9.493 1.00 33.15 H new ATOM 0 HB3 TYR A 30 -17.190 22.329 -10.869 1.00 33.15 H new ATOM 0 HD1 TYR A 30 -19.558 22.755 -7.977 1.00 71.41 H new ATOM 0 HD2 TYR A 30 -16.235 24.324 -10.133 1.00 52.34 H new ATOM 0 HE1 TYR A 30 -19.543 24.727 -6.516 1.00 51.51 H new ATOM 0 HE2 TYR A 30 -16.216 26.297 -8.672 1.00 62.14 H new ATOM 0 HH TYR A 30 -18.108 26.470 -5.776 1.00 4.52 H new ATOM 508 N LEU A 31 -19.647 21.639 -13.049 1.00 60.34 N ATOM 509 CA LEU A 31 -19.559 20.992 -14.354 1.00 51.22 C ATOM 510 C LEU A 31 -18.326 21.468 -15.116 1.00 13.21 C ATOM 511 O LEU A 31 -18.307 22.573 -15.659 1.00 11.04 O ATOM 512 CB LEU A 31 -20.820 21.277 -15.172 1.00 42.14 C ATOM 513 CG LEU A 31 -20.908 20.583 -16.532 1.00 54.42 C ATOM 514 CD1 LEU A 31 -20.494 19.125 -16.415 1.00 64.14 C ATOM 515 CD2 LEU A 31 -22.317 20.696 -17.097 1.00 61.53 C ATOM 0 H LEU A 31 -20.144 22.530 -13.052 1.00 60.34 H new ATOM 0 HA LEU A 31 -19.472 19.917 -14.194 1.00 51.22 H new ATOM 0 HB2 LEU A 31 -21.687 20.984 -14.580 1.00 42.14 H new ATOM 0 HB3 LEU A 31 -20.891 22.353 -15.330 1.00 42.14 H new ATOM 0 HG LEU A 31 -20.222 21.080 -17.218 1.00 54.42 H new ATOM 0 HD11 LEU A 31 -20.563 18.648 -17.392 1.00 64.14 H new ATOM 0 HD12 LEU A 31 -19.467 19.066 -16.054 1.00 64.14 H new ATOM 0 HD13 LEU A 31 -21.155 18.614 -15.714 1.00 64.14 H new ATOM 0 HD21 LEU A 31 -22.362 20.197 -18.065 1.00 61.53 H new ATOM 0 HD22 LEU A 31 -23.022 20.225 -16.413 1.00 61.53 H new ATOM 0 HD23 LEU A 31 -22.577 21.748 -17.219 1.00 61.53 H new ATOM 527 N VAL A 32 -17.299 20.626 -15.154 1.00 23.11 N ATOM 528 CA VAL A 32 -16.063 20.959 -15.852 1.00 63.21 C ATOM 529 C VAL A 32 -15.907 20.127 -17.120 1.00 43.02 C ATOM 530 O VAL A 32 -16.321 18.969 -17.171 1.00 63.43 O ATOM 531 CB VAL A 32 -14.833 20.738 -14.952 1.00 4.01 C ATOM 532 CG1 VAL A 32 -14.613 19.254 -14.702 1.00 33.22 C ATOM 533 CG2 VAL A 32 -13.597 21.371 -15.574 1.00 71.43 C ATOM 0 H VAL A 32 -17.298 19.708 -14.710 1.00 23.11 H new ATOM 0 HA VAL A 32 -16.124 22.014 -16.118 1.00 63.21 H new ATOM 0 HB VAL A 32 -15.016 21.220 -13.992 1.00 4.01 H new ATOM 0 HG11 VAL A 32 -13.740 19.118 -14.064 1.00 33.22 H new ATOM 0 HG12 VAL A 32 -15.490 18.834 -14.210 1.00 33.22 H new ATOM 0 HG13 VAL A 32 -14.451 18.745 -15.652 1.00 33.22 H new ATOM 0 HG21 VAL A 32 -12.737 21.205 -14.925 1.00 71.43 H new ATOM 0 HG22 VAL A 32 -13.408 20.920 -16.548 1.00 71.43 H new ATOM 0 HG23 VAL A 32 -13.759 22.442 -15.695 1.00 71.43 H new ATOM 543 N LYS A 33 -15.306 20.725 -18.143 1.00 51.33 N ATOM 544 CA LYS A 33 -15.093 20.040 -19.413 1.00 4.43 C ATOM 545 C LYS A 33 -13.803 19.226 -19.381 1.00 73.13 C ATOM 546 O LYS A 33 -13.216 19.017 -18.320 1.00 33.43 O ATOM 547 CB LYS A 33 -15.041 21.052 -20.559 1.00 52.45 C ATOM 548 CG LYS A 33 -13.909 22.057 -20.434 1.00 64.32 C ATOM 549 CD LYS A 33 -13.871 23.006 -21.620 1.00 15.11 C ATOM 550 CE LYS A 33 -15.080 23.929 -21.633 1.00 54.00 C ATOM 551 NZ LYS A 33 -14.996 24.938 -22.725 1.00 71.01 N ATOM 0 H LYS A 33 -14.957 21.683 -18.118 1.00 51.33 H new ATOM 0 HA LYS A 33 -15.929 19.359 -19.575 1.00 4.43 H new ATOM 0 HB2 LYS A 33 -14.936 20.515 -21.502 1.00 52.45 H new ATOM 0 HB3 LYS A 33 -15.989 21.589 -20.602 1.00 52.45 H new ATOM 0 HG2 LYS A 33 -14.029 22.628 -19.514 1.00 64.32 H new ATOM 0 HG3 LYS A 33 -12.959 21.528 -20.360 1.00 64.32 H new ATOM 0 HD2 LYS A 33 -12.958 23.601 -21.583 1.00 15.11 H new ATOM 0 HD3 LYS A 33 -13.840 22.432 -22.546 1.00 15.11 H new ATOM 0 HE2 LYS A 33 -15.987 23.337 -21.754 1.00 54.00 H new ATOM 0 HE3 LYS A 33 -15.158 24.439 -20.673 1.00 54.00 H new ATOM 0 HZ1 LYS A 33 -15.712 25.677 -22.571 1.00 71.01 H new ATOM 0 HZ2 LYS A 33 -14.049 25.368 -22.728 1.00 71.01 H new ATOM 0 HZ3 LYS A 33 -15.168 24.475 -23.640 1.00 71.01 H new ATOM 565 N TRP A 34 -13.368 18.771 -20.551 1.00 31.25 N ATOM 566 CA TRP A 34 -12.147 17.980 -20.656 1.00 42.42 C ATOM 567 C TRP A 34 -11.268 18.487 -21.794 1.00 65.32 C ATOM 568 O TRP A 34 -11.187 17.865 -22.854 1.00 3.11 O ATOM 569 CB TRP A 34 -12.487 16.505 -20.875 1.00 41.35 C ATOM 570 CG TRP A 34 -13.695 16.054 -20.112 1.00 53.50 C ATOM 571 CD1 TRP A 34 -13.919 16.198 -18.772 1.00 51.25 C ATOM 572 CD2 TRP A 34 -14.844 15.385 -20.643 1.00 51.32 C ATOM 573 NE1 TRP A 34 -15.138 15.659 -18.439 1.00 20.51 N ATOM 574 CE2 TRP A 34 -15.726 15.154 -19.569 1.00 5.31 C ATOM 575 CE3 TRP A 34 -15.215 14.961 -21.922 1.00 31.42 C ATOM 576 CZ2 TRP A 34 -16.952 14.517 -19.737 1.00 21.25 C ATOM 577 CZ3 TRP A 34 -16.432 14.328 -22.086 1.00 74.25 C ATOM 578 CH2 TRP A 34 -17.289 14.111 -20.999 1.00 55.52 C ATOM 0 H TRP A 34 -13.842 18.936 -21.439 1.00 31.25 H new ATOM 0 HA TRP A 34 -11.595 18.082 -19.722 1.00 42.42 H new ATOM 0 HB2 TRP A 34 -12.652 16.332 -21.938 1.00 41.35 H new ATOM 0 HB3 TRP A 34 -11.632 15.895 -20.582 1.00 41.35 H new ATOM 0 HD1 TRP A 34 -13.238 16.667 -18.077 1.00 51.25 H new ATOM 0 HE1 TRP A 34 -15.540 15.638 -17.502 1.00 20.51 H new ATOM 0 HE3 TRP A 34 -14.562 15.125 -22.767 1.00 31.42 H new ATOM 0 HZ2 TRP A 34 -17.614 14.349 -18.900 1.00 21.25 H new ATOM 0 HZ3 TRP A 34 -16.728 13.994 -23.070 1.00 74.25 H new ATOM 0 HH2 TRP A 34 -18.234 13.614 -21.161 1.00 55.52 H new ATOM 754 N GLU A 45 -18.879 17.433 -11.099 1.00 13.31 N ATOM 755 CA GLU A 45 -18.189 17.044 -9.875 1.00 33.51 C ATOM 756 C GLU A 45 -18.556 17.975 -8.723 1.00 42.43 C ATOM 757 O GLU A 45 -18.422 19.195 -8.829 1.00 2.11 O ATOM 758 CB GLU A 45 -16.675 17.054 -10.092 1.00 24.15 C ATOM 759 CG GLU A 45 -16.173 15.898 -10.940 1.00 72.42 C ATOM 760 CD GLU A 45 -15.445 14.848 -10.124 1.00 21.32 C ATOM 761 OE1 GLU A 45 -15.931 14.510 -9.024 1.00 5.33 O ATOM 762 OE2 GLU A 45 -14.390 14.364 -10.584 1.00 61.32 O ATOM 0 HA GLU A 45 -18.505 16.033 -9.616 1.00 33.51 H new ATOM 0 HB2 GLU A 45 -16.391 17.993 -10.568 1.00 24.15 H new ATOM 0 HB3 GLU A 45 -16.178 17.025 -9.123 1.00 24.15 H new ATOM 0 HG2 GLU A 45 -17.017 15.435 -11.451 1.00 72.42 H new ATOM 0 HG3 GLU A 45 -15.504 16.281 -11.711 1.00 72.42 H new ATOM 769 N THR A 46 -19.020 17.392 -7.623 1.00 12.25 N ATOM 770 CA THR A 46 -19.408 18.169 -6.452 1.00 20.53 C ATOM 771 C THR A 46 -18.395 19.270 -6.162 1.00 63.10 C ATOM 772 O THR A 46 -17.214 19.139 -6.483 1.00 20.24 O ATOM 773 CB THR A 46 -19.547 17.274 -5.205 1.00 53.05 C ATOM 774 OG1 THR A 46 -18.793 16.070 -5.380 1.00 60.52 O ATOM 775 CG2 THR A 46 -21.006 16.931 -4.946 1.00 15.44 C ATOM 0 H THR A 46 -19.136 16.384 -7.518 1.00 12.25 H new ATOM 0 HA THR A 46 -20.375 18.619 -6.678 1.00 20.53 H new ATOM 0 HB THR A 46 -19.161 17.823 -4.346 1.00 53.05 H new ATOM 0 HG1 THR A 46 -19.009 15.441 -4.660 1.00 60.52 H new ATOM 0 HG21 THR A 46 -21.080 16.299 -4.061 1.00 15.44 H new ATOM 0 HG22 THR A 46 -21.572 17.848 -4.785 1.00 15.44 H new ATOM 0 HG23 THR A 46 -21.413 16.400 -5.806 1.00 15.44 H new ATOM 783 N GLU A 47 -18.864 20.355 -5.553 1.00 72.43 N ATOM 784 CA GLU A 47 -17.997 21.479 -5.221 1.00 30.21 C ATOM 785 C GLU A 47 -16.858 21.036 -4.308 1.00 24.43 C ATOM 786 O GLU A 47 -15.811 21.682 -4.245 1.00 34.54 O ATOM 787 CB GLU A 47 -18.803 22.591 -4.546 1.00 63.03 C ATOM 788 CG GLU A 47 -17.944 23.599 -3.802 1.00 44.31 C ATOM 789 CD GLU A 47 -18.758 24.728 -3.201 1.00 1.33 C ATOM 790 OE1 GLU A 47 -19.556 24.458 -2.279 1.00 74.43 O ATOM 791 OE2 GLU A 47 -18.597 25.882 -3.651 1.00 72.32 O ATOM 0 H GLU A 47 -19.839 20.479 -5.280 1.00 72.43 H new ATOM 0 HA GLU A 47 -17.569 21.861 -6.148 1.00 30.21 H new ATOM 0 HB2 GLU A 47 -19.389 23.114 -5.302 1.00 63.03 H new ATOM 0 HB3 GLU A 47 -19.510 22.143 -3.848 1.00 63.03 H new ATOM 0 HG2 GLU A 47 -17.396 23.089 -3.009 1.00 44.31 H new ATOM 0 HG3 GLU A 47 -17.203 24.014 -4.485 1.00 44.31 H new ATOM 798 N ASP A 48 -17.069 19.930 -3.602 1.00 10.31 N ATOM 799 CA ASP A 48 -16.060 19.399 -2.692 1.00 55.41 C ATOM 800 C ASP A 48 -15.245 18.301 -3.366 1.00 62.34 C ATOM 801 O ASP A 48 -14.339 17.727 -2.762 1.00 45.00 O ATOM 802 CB ASP A 48 -16.722 18.856 -1.425 1.00 22.14 C ATOM 803 CG ASP A 48 -16.357 19.659 -0.191 1.00 60.24 C ATOM 804 OD1 ASP A 48 -15.331 19.337 0.443 1.00 3.41 O ATOM 805 OD2 ASP A 48 -17.098 20.608 0.140 1.00 73.12 O ATOM 0 H ASP A 48 -17.930 19.384 -3.642 1.00 10.31 H new ATOM 0 HA ASP A 48 -15.386 20.212 -2.421 1.00 55.41 H new ATOM 0 HB2 ASP A 48 -17.804 18.863 -1.553 1.00 22.14 H new ATOM 0 HB3 ASP A 48 -16.425 17.817 -1.280 1.00 22.14 H new ATOM 810 N ASP A 49 -15.574 18.012 -4.621 1.00 5.33 N ATOM 811 CA ASP A 49 -14.872 16.982 -5.378 1.00 4.24 C ATOM 812 C ASP A 49 -14.250 17.566 -6.642 1.00 64.13 C ATOM 813 O ASP A 49 -13.502 16.888 -7.348 1.00 74.21 O ATOM 814 CB ASP A 49 -15.828 15.846 -5.742 1.00 55.14 C ATOM 815 CG ASP A 49 -16.319 15.089 -4.524 1.00 61.52 C ATOM 816 OD1 ASP A 49 -16.120 15.587 -3.397 1.00 32.43 O ATOM 817 OD2 ASP A 49 -16.901 13.997 -4.698 1.00 65.04 O ATOM 0 H ASP A 49 -16.322 18.477 -5.135 1.00 5.33 H new ATOM 0 HA ASP A 49 -14.073 16.586 -4.751 1.00 4.24 H new ATOM 0 HB2 ASP A 49 -16.683 16.254 -6.282 1.00 55.14 H new ATOM 0 HB3 ASP A 49 -15.325 15.154 -6.418 1.00 55.14 H new ATOM 822 N ILE A 50 -14.564 18.826 -6.923 1.00 1.14 N ATOM 823 CA ILE A 50 -14.036 19.500 -8.102 1.00 43.31 C ATOM 824 C ILE A 50 -12.821 20.353 -7.750 1.00 71.44 C ATOM 825 O ILE A 50 -11.895 20.492 -8.550 1.00 55.10 O ATOM 826 CB ILE A 50 -15.101 20.394 -8.764 1.00 72.33 C ATOM 827 CG1 ILE A 50 -14.559 20.996 -10.062 1.00 64.52 C ATOM 828 CG2 ILE A 50 -15.540 21.492 -7.808 1.00 13.23 C ATOM 829 CD1 ILE A 50 -15.235 20.461 -11.305 1.00 54.41 C ATOM 0 H ILE A 50 -15.182 19.401 -6.350 1.00 1.14 H new ATOM 0 HA ILE A 50 -13.740 18.721 -8.804 1.00 43.31 H new ATOM 0 HB ILE A 50 -15.969 19.781 -9.005 1.00 72.33 H new ATOM 0 HG12 ILE A 50 -14.681 22.079 -10.029 1.00 64.52 H new ATOM 0 HG13 ILE A 50 -13.489 20.797 -10.126 1.00 64.52 H new ATOM 0 HG21 ILE A 50 -16.293 22.115 -8.291 1.00 13.23 H new ATOM 0 HG22 ILE A 50 -15.962 21.044 -6.909 1.00 13.23 H new ATOM 0 HG23 ILE A 50 -14.680 22.105 -7.538 1.00 13.23 H new ATOM 0 HD11 ILE A 50 -14.800 20.932 -12.187 1.00 54.41 H new ATOM 0 HD12 ILE A 50 -15.091 19.382 -11.362 1.00 54.41 H new ATOM 0 HD13 ILE A 50 -16.301 20.683 -11.264 1.00 54.41 H new ATOM 841 N ARG A 51 -12.831 20.919 -6.548 1.00 43.12 N ATOM 842 CA ARG A 51 -11.729 21.757 -6.090 1.00 15.41 C ATOM 843 C ARG A 51 -10.548 20.904 -5.638 1.00 31.21 C ATOM 844 O ARG A 51 -9.422 21.390 -5.530 1.00 23.24 O ATOM 845 CB ARG A 51 -12.190 22.659 -4.943 1.00 23.44 C ATOM 846 CG ARG A 51 -11.960 22.057 -3.566 1.00 1.22 C ATOM 847 CD ARG A 51 -12.875 20.869 -3.317 1.00 71.53 C ATOM 848 NE ARG A 51 -12.475 20.107 -2.137 1.00 12.10 N ATOM 849 CZ ARG A 51 -12.612 20.553 -0.893 1.00 53.33 C ATOM 850 NH1 ARG A 51 -13.137 21.750 -0.669 1.00 10.10 N ATOM 851 NH2 ARG A 51 -12.225 19.802 0.129 1.00 23.41 N ATOM 0 H ARG A 51 -13.589 20.813 -5.874 1.00 43.12 H new ATOM 0 HA ARG A 51 -11.406 22.378 -6.925 1.00 15.41 H new ATOM 0 HB2 ARG A 51 -11.664 23.611 -5.007 1.00 23.44 H new ATOM 0 HB3 ARG A 51 -13.252 22.873 -5.064 1.00 23.44 H new ATOM 0 HG2 ARG A 51 -10.920 21.742 -3.474 1.00 1.22 H new ATOM 0 HG3 ARG A 51 -12.132 22.816 -2.803 1.00 1.22 H new ATOM 0 HD2 ARG A 51 -13.899 21.220 -3.191 1.00 71.53 H new ATOM 0 HD3 ARG A 51 -12.867 20.216 -4.190 1.00 71.53 H new ATOM 0 HE ARG A 51 -12.068 19.182 -2.275 1.00 12.10 H new ATOM 0 HH11 ARG A 51 -13.437 22.330 -1.453 1.00 10.10 H new ATOM 0 HH12 ARG A 51 -13.241 22.090 0.287 1.00 10.10 H new ATOM 0 HH21 ARG A 51 -11.821 18.880 -0.039 1.00 23.41 H new ATOM 0 HH22 ARG A 51 -12.331 20.146 1.083 1.00 23.41 H new ATOM 865 N THR A 52 -10.813 19.628 -5.374 1.00 61.13 N ATOM 866 CA THR A 52 -9.773 18.707 -4.932 1.00 54.05 C ATOM 867 C THR A 52 -9.084 18.045 -6.120 1.00 52.01 C ATOM 868 O THR A 52 -7.910 17.683 -6.047 1.00 44.34 O ATOM 869 CB THR A 52 -10.346 17.614 -4.011 1.00 20.41 C ATOM 870 OG1 THR A 52 -9.296 16.747 -3.568 1.00 61.53 O ATOM 871 CG2 THR A 52 -11.411 16.801 -4.732 1.00 12.51 C ATOM 0 H THR A 52 -11.739 19.209 -5.459 1.00 61.13 H new ATOM 0 HA THR A 52 -9.044 19.296 -4.375 1.00 54.05 H new ATOM 0 HB THR A 52 -10.804 18.100 -3.149 1.00 20.41 H new ATOM 0 HG1 THR A 52 -9.668 16.056 -2.982 1.00 61.53 H new ATOM 0 HG21 THR A 52 -11.801 16.035 -4.061 1.00 12.51 H new ATOM 0 HG22 THR A 52 -12.223 17.459 -5.042 1.00 12.51 H new ATOM 0 HG23 THR A 52 -10.974 16.326 -5.610 1.00 12.51 H new ATOM 879 N LYS A 53 -9.821 17.889 -7.215 1.00 15.45 N ATOM 880 CA LYS A 53 -9.281 17.272 -8.420 1.00 53.42 C ATOM 881 C LYS A 53 -8.937 18.329 -9.465 1.00 0.33 C ATOM 882 O LYS A 53 -7.993 18.167 -10.239 1.00 32.34 O ATOM 883 CB LYS A 53 -10.286 16.274 -9.001 1.00 5.31 C ATOM 884 CG LYS A 53 -10.735 15.216 -8.008 1.00 51.41 C ATOM 885 CD LYS A 53 -12.059 14.594 -8.418 1.00 71.30 C ATOM 886 CE LYS A 53 -11.851 13.315 -9.214 1.00 63.43 C ATOM 887 NZ LYS A 53 -12.887 12.292 -8.902 1.00 72.13 N ATOM 0 H LYS A 53 -10.795 18.182 -7.292 1.00 15.45 H new ATOM 0 HA LYS A 53 -8.367 16.743 -8.149 1.00 53.42 H new ATOM 0 HB2 LYS A 53 -11.160 16.818 -9.360 1.00 5.31 H new ATOM 0 HB3 LYS A 53 -9.839 15.783 -9.866 1.00 5.31 H new ATOM 0 HG2 LYS A 53 -9.974 14.439 -7.934 1.00 51.41 H new ATOM 0 HG3 LYS A 53 -10.832 15.662 -7.018 1.00 51.41 H new ATOM 0 HD2 LYS A 53 -12.652 14.378 -7.529 1.00 71.30 H new ATOM 0 HD3 LYS A 53 -12.628 15.307 -9.015 1.00 71.30 H new ATOM 0 HE2 LYS A 53 -11.875 13.543 -10.280 1.00 63.43 H new ATOM 0 HE3 LYS A 53 -10.863 12.909 -8.997 1.00 63.43 H new ATOM 0 HZ1 LYS A 53 -12.578 11.365 -9.257 1.00 72.13 H new ATOM 0 HZ2 LYS A 53 -13.024 12.240 -7.872 1.00 72.13 H new ATOM 0 HZ3 LYS A 53 -13.784 12.556 -9.358 1.00 72.13 H new ATOM 901 N TYR A 54 -9.707 19.412 -9.480 1.00 64.22 N ATOM 902 CA TYR A 54 -9.483 20.495 -10.430 1.00 72.14 C ATOM 903 C TYR A 54 -9.417 21.841 -9.716 1.00 54.42 C ATOM 904 O TYR A 54 -9.819 22.868 -10.263 1.00 65.43 O ATOM 905 CB TYR A 54 -10.594 20.516 -11.482 1.00 11.54 C ATOM 906 CG TYR A 54 -10.979 19.143 -11.984 1.00 41.32 C ATOM 907 CD1 TYR A 54 -10.127 18.421 -12.811 1.00 21.23 C ATOM 908 CD2 TYR A 54 -12.194 18.569 -11.634 1.00 34.22 C ATOM 909 CE1 TYR A 54 -10.474 17.166 -13.273 1.00 14.10 C ATOM 910 CE2 TYR A 54 -12.549 17.314 -12.090 1.00 54.31 C ATOM 911 CZ TYR A 54 -11.686 16.617 -12.910 1.00 13.05 C ATOM 912 OH TYR A 54 -12.037 15.368 -13.367 1.00 70.43 O ATOM 0 H TYR A 54 -10.491 19.563 -8.845 1.00 64.22 H new ATOM 0 HA TYR A 54 -8.527 20.320 -10.924 1.00 72.14 H new ATOM 0 HB2 TYR A 54 -11.475 20.999 -11.058 1.00 11.54 H new ATOM 0 HB3 TYR A 54 -10.272 21.125 -12.326 1.00 11.54 H new ATOM 0 HD1 TYR A 54 -9.177 18.848 -13.097 1.00 21.23 H new ATOM 0 HD2 TYR A 54 -12.873 19.113 -10.994 1.00 34.22 H new ATOM 0 HE1 TYR A 54 -9.800 16.618 -13.915 1.00 14.10 H new ATOM 0 HE2 TYR A 54 -13.497 16.881 -11.806 1.00 54.31 H new ATOM 0 HH TYR A 54 -12.921 15.128 -13.018 1.00 70.43 H new ATOM 922 N GLY A 55 -8.907 21.828 -8.488 1.00 42.54 N ATOM 923 CA GLY A 55 -8.796 23.053 -7.718 1.00 54.41 C ATOM 924 C GLY A 55 -8.088 24.156 -8.480 1.00 75.13 C ATOM 925 O GLY A 55 -8.248 25.336 -8.169 1.00 3.33 O ATOM 0 H GLY A 55 -8.569 20.991 -8.013 1.00 42.54 H new ATOM 0 HA2 GLY A 55 -9.793 23.393 -7.436 1.00 54.41 H new ATOM 0 HA3 GLY A 55 -8.255 22.850 -6.794 1.00 54.41 H new ATOM 929 N ASP A 56 -7.304 23.771 -9.481 1.00 5.34 N ATOM 930 CA ASP A 56 -6.568 24.736 -10.289 1.00 43.25 C ATOM 931 C ASP A 56 -7.522 25.696 -10.993 1.00 33.12 C ATOM 932 O ASP A 56 -7.388 26.915 -10.880 1.00 54.34 O ATOM 933 CB ASP A 56 -5.700 24.013 -11.321 1.00 32.02 C ATOM 934 CG ASP A 56 -4.431 24.776 -11.647 1.00 74.13 C ATOM 935 OD1 ASP A 56 -3.598 24.959 -10.735 1.00 74.14 O ATOM 936 OD2 ASP A 56 -4.272 25.191 -12.815 1.00 21.15 O ATOM 0 H ASP A 56 -7.162 22.798 -9.752 1.00 5.34 H new ATOM 0 HA ASP A 56 -5.925 25.313 -9.624 1.00 43.25 H new ATOM 0 HB2 ASP A 56 -5.439 23.024 -10.943 1.00 32.02 H new ATOM 0 HB3 ASP A 56 -6.275 23.864 -12.235 1.00 32.02 H new ATOM 941 N LEU A 57 -8.485 25.138 -11.719 1.00 1.41 N ATOM 942 CA LEU A 57 -9.462 25.945 -12.442 1.00 72.31 C ATOM 943 C LEU A 57 -10.602 26.372 -11.523 1.00 52.34 C ATOM 944 O LEU A 57 -11.179 27.447 -11.691 1.00 71.22 O ATOM 945 CB LEU A 57 -10.018 25.161 -13.633 1.00 0.33 C ATOM 946 CG LEU A 57 -10.082 23.643 -13.466 1.00 22.30 C ATOM 947 CD1 LEU A 57 -11.290 23.076 -14.195 1.00 71.02 C ATOM 948 CD2 LEU A 57 -8.800 22.996 -13.971 1.00 52.33 C ATOM 0 H LEU A 57 -8.610 24.131 -11.823 1.00 1.41 H new ATOM 0 HA LEU A 57 -8.959 26.841 -12.807 1.00 72.31 H new ATOM 0 HB2 LEU A 57 -11.023 25.526 -13.845 1.00 0.33 H new ATOM 0 HB3 LEU A 57 -9.406 25.385 -14.507 1.00 0.33 H new ATOM 0 HG LEU A 57 -10.185 23.418 -12.405 1.00 22.30 H new ATOM 0 HD11 LEU A 57 -11.319 21.994 -14.065 1.00 71.02 H new ATOM 0 HD12 LEU A 57 -12.200 23.515 -13.787 1.00 71.02 H new ATOM 0 HD13 LEU A 57 -11.218 23.312 -15.257 1.00 71.02 H new ATOM 0 HD21 LEU A 57 -8.863 21.915 -13.844 1.00 52.33 H new ATOM 0 HD22 LEU A 57 -8.666 23.230 -15.027 1.00 52.33 H new ATOM 0 HD23 LEU A 57 -7.951 23.379 -13.404 1.00 52.33 H new ATOM 960 N VAL A 58 -10.921 25.525 -10.550 1.00 63.21 N ATOM 961 CA VAL A 58 -11.989 25.816 -9.602 1.00 14.20 C ATOM 962 C VAL A 58 -11.777 27.170 -8.934 1.00 54.10 C ATOM 963 O VAL A 58 -12.720 27.943 -8.762 1.00 0.15 O ATOM 964 CB VAL A 58 -12.087 24.729 -8.515 1.00 0.41 C ATOM 965 CG1 VAL A 58 -13.139 25.101 -7.481 1.00 71.01 C ATOM 966 CG2 VAL A 58 -12.396 23.377 -9.140 1.00 1.40 C ATOM 0 H VAL A 58 -10.454 24.631 -10.398 1.00 63.21 H new ATOM 0 HA VAL A 58 -12.919 25.836 -10.170 1.00 14.20 H new ATOM 0 HB VAL A 58 -11.124 24.658 -8.009 1.00 0.41 H new ATOM 0 HG11 VAL A 58 -13.194 24.321 -6.721 1.00 71.01 H new ATOM 0 HG12 VAL A 58 -12.869 26.047 -7.011 1.00 71.01 H new ATOM 0 HG13 VAL A 58 -14.109 25.202 -7.968 1.00 71.01 H new ATOM 0 HG21 VAL A 58 -12.462 22.621 -8.358 1.00 1.40 H new ATOM 0 HG22 VAL A 58 -13.345 23.431 -9.673 1.00 1.40 H new ATOM 0 HG23 VAL A 58 -11.603 23.109 -9.838 1.00 1.40 H new ATOM 976 N ASP A 59 -10.534 27.451 -8.561 1.00 21.05 N ATOM 977 CA ASP A 59 -10.197 28.713 -7.912 1.00 41.14 C ATOM 978 C ASP A 59 -10.057 29.831 -8.940 1.00 44.44 C ATOM 979 O ASP A 59 -9.705 30.961 -8.600 1.00 21.15 O ATOM 980 CB ASP A 59 -8.900 28.571 -7.115 1.00 25.11 C ATOM 981 CG ASP A 59 -9.093 27.791 -5.829 1.00 63.35 C ATOM 982 OD1 ASP A 59 -10.257 27.604 -5.418 1.00 42.14 O ATOM 983 OD2 ASP A 59 -8.080 27.367 -5.234 1.00 44.30 O ATOM 0 H ASP A 59 -9.742 26.822 -8.697 1.00 21.05 H new ATOM 0 HA ASP A 59 -11.007 28.970 -7.229 1.00 41.14 H new ATOM 0 HB2 ASP A 59 -8.152 28.072 -7.730 1.00 25.11 H new ATOM 0 HB3 ASP A 59 -8.511 29.562 -6.881 1.00 25.11 H new ATOM 988 N ASP A 60 -10.333 29.509 -10.199 1.00 63.21 N ATOM 989 CA ASP A 60 -10.237 30.486 -11.277 1.00 54.04 C ATOM 990 C ASP A 60 -11.619 30.826 -11.827 1.00 35.33 C ATOM 991 O ASP A 60 -11.804 31.852 -12.481 1.00 1.31 O ATOM 992 CB ASP A 60 -9.346 29.953 -12.400 1.00 4.20 C ATOM 993 CG ASP A 60 -8.951 31.033 -13.388 1.00 53.22 C ATOM 994 OD1 ASP A 60 -9.105 32.227 -13.055 1.00 52.24 O ATOM 995 OD2 ASP A 60 -8.488 30.684 -14.494 1.00 10.41 O ATOM 0 H ASP A 60 -10.625 28.579 -10.498 1.00 63.21 H new ATOM 0 HA ASP A 60 -9.793 31.395 -10.871 1.00 54.04 H new ATOM 0 HB2 ASP A 60 -8.447 29.513 -11.969 1.00 4.20 H new ATOM 0 HB3 ASP A 60 -9.869 29.156 -12.928 1.00 4.20 H new ATOM 1000 N PHE A 61 -12.588 29.956 -11.557 1.00 43.41 N ATOM 1001 CA PHE A 61 -13.953 30.163 -12.026 1.00 70.01 C ATOM 1002 C PHE A 61 -14.830 30.729 -10.913 1.00 75.14 C ATOM 1003 O PHE A 61 -15.308 31.860 -11.000 1.00 61.34 O ATOM 1004 CB PHE A 61 -14.544 28.847 -12.538 1.00 3.54 C ATOM 1005 CG PHE A 61 -16.002 28.940 -12.886 1.00 2.40 C ATOM 1006 CD1 PHE A 61 -16.404 29.456 -14.107 1.00 52.15 C ATOM 1007 CD2 PHE A 61 -16.970 28.512 -11.992 1.00 61.33 C ATOM 1008 CE1 PHE A 61 -17.745 29.543 -14.430 1.00 52.41 C ATOM 1009 CE2 PHE A 61 -18.313 28.596 -12.310 1.00 4.24 C ATOM 1010 CZ PHE A 61 -18.701 29.112 -13.531 1.00 25.23 C ATOM 0 H PHE A 61 -12.453 29.102 -11.016 1.00 43.41 H new ATOM 0 HA PHE A 61 -13.925 30.883 -12.844 1.00 70.01 H new ATOM 0 HB2 PHE A 61 -13.988 28.527 -13.419 1.00 3.54 H new ATOM 0 HB3 PHE A 61 -14.408 28.077 -11.778 1.00 3.54 H new ATOM 0 HD1 PHE A 61 -15.661 29.794 -14.814 1.00 52.15 H new ATOM 0 HD2 PHE A 61 -16.672 28.108 -11.036 1.00 61.33 H new ATOM 0 HE1 PHE A 61 -18.045 29.948 -15.385 1.00 52.41 H new ATOM 0 HE2 PHE A 61 -19.058 28.259 -11.604 1.00 4.24 H new ATOM 0 HZ PHE A 61 -19.749 29.178 -13.782 1.00 25.23 H new