USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=7 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=-0.0017) USER MOD Single : A 27 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 28 THR OG1 : rot 166:sc= 0.189 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00831 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -117:sc= -1.09 (180deg=-1.47) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.378 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 -9.842 18.849 -17.462 1.00 61.25 N ATOM 248 CA GLU A 16 -9.447 20.057 -18.177 1.00 65.54 C ATOM 249 C GLU A 16 -9.682 21.297 -17.321 1.00 41.40 C ATOM 250 O GLU A 16 -8.735 21.944 -16.872 1.00 61.34 O ATOM 251 CB GLU A 16 -10.222 20.175 -19.491 1.00 12.40 C ATOM 252 CG GLU A 16 -9.331 20.252 -20.719 1.00 51.13 C ATOM 253 CD GLU A 16 -8.863 21.664 -21.013 1.00 54.24 C ATOM 254 OE1 GLU A 16 -8.368 22.332 -20.082 1.00 30.12 O ATOM 255 OE2 GLU A 16 -8.993 22.101 -22.176 1.00 41.32 O ATOM 0 HA GLU A 16 -8.382 19.986 -18.398 1.00 65.54 H new ATOM 0 HB2 GLU A 16 -10.887 19.317 -19.589 1.00 12.40 H new ATOM 0 HB3 GLU A 16 -10.851 21.064 -19.453 1.00 12.40 H new ATOM 0 HG2 GLU A 16 -8.463 19.608 -20.574 1.00 51.13 H new ATOM 0 HG3 GLU A 16 -9.874 19.866 -21.582 1.00 51.13 H new ATOM 262 N ARG A 17 -10.951 21.624 -17.099 1.00 41.13 N ATOM 263 CA ARG A 17 -11.312 22.788 -16.299 1.00 25.03 C ATOM 264 C ARG A 17 -12.820 22.849 -16.077 1.00 20.13 C ATOM 265 O ARG A 17 -13.588 22.193 -16.781 1.00 62.22 O ATOM 266 CB ARG A 17 -10.834 24.071 -16.981 1.00 65.12 C ATOM 267 CG ARG A 17 -11.856 24.673 -17.931 1.00 31.10 C ATOM 268 CD ARG A 17 -12.234 23.697 -19.034 1.00 43.15 C ATOM 269 NE ARG A 17 -12.350 24.357 -20.332 1.00 74.22 N ATOM 270 CZ ARG A 17 -11.307 24.765 -21.046 1.00 2.15 C ATOM 271 NH1 ARG A 17 -10.075 24.582 -20.590 1.00 34.24 N ATOM 272 NH2 ARG A 17 -11.494 25.358 -22.218 1.00 20.41 N ATOM 0 H ARG A 17 -11.746 21.099 -17.462 1.00 41.13 H new ATOM 0 HA ARG A 17 -10.823 22.696 -15.329 1.00 25.03 H new ATOM 0 HB2 ARG A 17 -10.583 24.807 -16.217 1.00 65.12 H new ATOM 0 HB3 ARG A 17 -9.918 23.860 -17.533 1.00 65.12 H new ATOM 0 HG2 ARG A 17 -12.749 24.958 -17.374 1.00 31.10 H new ATOM 0 HG3 ARG A 17 -11.452 25.584 -18.372 1.00 31.10 H new ATOM 0 HD2 ARG A 17 -11.483 22.909 -19.094 1.00 43.15 H new ATOM 0 HD3 ARG A 17 -13.181 23.217 -18.785 1.00 43.15 H new ATOM 0 HE ARG A 17 -13.284 24.513 -20.711 1.00 74.22 H new ATOM 0 HH11 ARG A 17 -9.927 24.127 -19.689 1.00 34.24 H new ATOM 0 HH12 ARG A 17 -9.276 24.896 -21.140 1.00 34.24 H new ATOM 0 HH21 ARG A 17 -12.440 25.501 -22.572 1.00 20.41 H new ATOM 0 HH22 ARG A 17 -10.692 25.671 -22.765 1.00 20.41 H new ATOM 286 N ILE A 18 -13.237 23.640 -15.094 1.00 24.34 N ATOM 287 CA ILE A 18 -14.652 23.786 -14.780 1.00 14.23 C ATOM 288 C ILE A 18 -15.386 24.537 -15.886 1.00 1.11 C ATOM 289 O ILE A 18 -15.192 25.739 -16.070 1.00 24.32 O ATOM 290 CB ILE A 18 -14.860 24.529 -13.446 1.00 65.53 C ATOM 291 CG1 ILE A 18 -14.082 23.835 -12.325 1.00 52.25 C ATOM 292 CG2 ILE A 18 -16.340 24.601 -13.105 1.00 13.11 C ATOM 293 CD1 ILE A 18 -14.785 22.618 -11.766 1.00 12.42 C ATOM 0 H ILE A 18 -12.614 24.189 -14.502 1.00 24.34 H new ATOM 0 HA ILE A 18 -15.061 22.779 -14.694 1.00 14.23 H new ATOM 0 HB ILE A 18 -14.482 25.546 -13.550 1.00 65.53 H new ATOM 0 HG12 ILE A 18 -13.104 23.538 -12.703 1.00 52.25 H new ATOM 0 HG13 ILE A 18 -13.909 24.548 -11.518 1.00 52.25 H new ATOM 0 HG21 ILE A 18 -16.470 25.129 -12.160 1.00 13.11 H new ATOM 0 HG22 ILE A 18 -16.870 25.134 -13.894 1.00 13.11 H new ATOM 0 HG23 ILE A 18 -16.742 23.592 -13.016 1.00 13.11 H new ATOM 0 HD11 ILE A 18 -14.177 22.177 -10.976 1.00 12.42 H new ATOM 0 HD12 ILE A 18 -15.752 22.912 -11.358 1.00 12.42 H new ATOM 0 HD13 ILE A 18 -14.934 21.887 -12.560 1.00 12.42 H new ATOM 305 N VAL A 19 -16.232 23.821 -16.620 1.00 23.43 N ATOM 306 CA VAL A 19 -16.997 24.419 -17.706 1.00 55.34 C ATOM 307 C VAL A 19 -17.894 25.541 -17.194 1.00 32.30 C ATOM 308 O VAL A 19 -17.859 26.660 -17.705 1.00 3.22 O ATOM 309 CB VAL A 19 -17.866 23.370 -18.425 1.00 52.02 C ATOM 310 CG1 VAL A 19 -18.451 23.947 -19.706 1.00 25.04 C ATOM 311 CG2 VAL A 19 -17.055 22.117 -18.717 1.00 62.21 C ATOM 0 H VAL A 19 -16.404 22.825 -16.481 1.00 23.43 H new ATOM 0 HA VAL A 19 -16.275 24.828 -18.413 1.00 55.34 H new ATOM 0 HB VAL A 19 -18.692 23.096 -17.768 1.00 52.02 H new ATOM 0 HG11 VAL A 19 -19.062 23.191 -20.200 1.00 25.04 H new ATOM 0 HG12 VAL A 19 -19.068 24.813 -19.466 1.00 25.04 H new ATOM 0 HG13 VAL A 19 -17.642 24.251 -20.371 1.00 25.04 H new ATOM 0 HG21 VAL A 19 -17.684 21.386 -19.225 1.00 62.21 H new ATOM 0 HG22 VAL A 19 -16.208 22.372 -19.354 1.00 62.21 H new ATOM 0 HG23 VAL A 19 -16.690 21.693 -17.781 1.00 62.21 H new ATOM 321 N ARG A 20 -18.698 25.232 -16.181 1.00 45.41 N ATOM 322 CA ARG A 20 -19.605 26.214 -15.599 1.00 42.34 C ATOM 323 C ARG A 20 -20.154 25.722 -14.264 1.00 15.34 C ATOM 324 O ARG A 20 -19.727 24.690 -13.746 1.00 52.02 O ATOM 325 CB ARG A 20 -20.758 26.507 -16.561 1.00 11.11 C ATOM 326 CG ARG A 20 -21.574 25.278 -16.925 1.00 73.22 C ATOM 327 CD ARG A 20 -21.250 24.790 -18.328 1.00 72.35 C ATOM 328 NE ARG A 20 -22.454 24.443 -19.079 1.00 51.31 N ATOM 329 CZ ARG A 20 -22.508 24.408 -20.406 1.00 31.31 C ATOM 330 NH1 ARG A 20 -21.432 24.695 -21.124 1.00 43.45 N ATOM 331 NH2 ARG A 20 -23.641 24.083 -21.017 1.00 4.24 N ATOM 0 H ARG A 20 -18.739 24.310 -15.747 1.00 45.41 H new ATOM 0 HA ARG A 20 -19.044 27.132 -15.425 1.00 42.34 H new ATOM 0 HB2 ARG A 20 -21.416 27.250 -16.110 1.00 11.11 H new ATOM 0 HB3 ARG A 20 -20.356 26.949 -17.473 1.00 11.11 H new ATOM 0 HG2 ARG A 20 -21.376 24.482 -16.207 1.00 73.22 H new ATOM 0 HG3 ARG A 20 -22.636 25.512 -16.856 1.00 73.22 H new ATOM 0 HD2 ARG A 20 -20.700 25.564 -18.863 1.00 72.35 H new ATOM 0 HD3 ARG A 20 -20.597 23.919 -18.267 1.00 72.35 H new ATOM 0 HE ARG A 20 -23.299 24.215 -18.556 1.00 51.31 H new ATOM 0 HH11 ARG A 20 -20.559 24.944 -20.658 1.00 43.45 H new ATOM 0 HH12 ARG A 20 -21.476 24.667 -22.143 1.00 43.45 H new ATOM 0 HH21 ARG A 20 -24.471 23.860 -20.468 1.00 4.24 H new ATOM 0 HH22 ARG A 20 -23.682 24.056 -22.036 1.00 4.24 H new ATOM 345 N LYS A 21 -21.104 26.468 -13.710 1.00 12.33 N ATOM 346 CA LYS A 21 -21.714 26.109 -12.435 1.00 1.21 C ATOM 347 C LYS A 21 -23.142 26.637 -12.347 1.00 12.42 C ATOM 348 O LYS A 21 -23.509 27.584 -13.044 1.00 34.34 O ATOM 349 CB LYS A 21 -20.882 26.661 -11.275 1.00 13.41 C ATOM 350 CG LYS A 21 -20.947 28.173 -11.146 1.00 2.40 C ATOM 351 CD LYS A 21 -20.391 28.644 -9.812 1.00 62.43 C ATOM 352 CE LYS A 21 -21.229 29.769 -9.225 1.00 24.13 C ATOM 353 NZ LYS A 21 -20.451 30.593 -8.259 1.00 1.24 N ATOM 0 H LYS A 21 -21.468 27.326 -14.125 1.00 12.33 H new ATOM 0 HA LYS A 21 -21.743 25.021 -12.368 1.00 1.21 H new ATOM 0 HB2 LYS A 21 -21.227 26.210 -10.345 1.00 13.41 H new ATOM 0 HB3 LYS A 21 -19.843 26.360 -11.409 1.00 13.41 H new ATOM 0 HG2 LYS A 21 -20.384 28.633 -11.958 1.00 2.40 H new ATOM 0 HG3 LYS A 21 -21.981 28.504 -11.247 1.00 2.40 H new ATOM 0 HD2 LYS A 21 -20.362 27.808 -9.113 1.00 62.43 H new ATOM 0 HD3 LYS A 21 -19.364 28.985 -9.944 1.00 62.43 H new ATOM 0 HE2 LYS A 21 -21.599 30.405 -10.030 1.00 24.13 H new ATOM 0 HE3 LYS A 21 -22.101 29.349 -8.724 1.00 24.13 H new ATOM 0 HZ1 LYS A 21 -21.057 31.349 -7.881 1.00 1.24 H new ATOM 0 HZ2 LYS A 21 -20.120 29.992 -7.478 1.00 1.24 H new ATOM 0 HZ3 LYS A 21 -19.632 31.015 -8.743 1.00 1.24 H new ATOM 367 N LYS A 22 -23.944 26.021 -11.485 1.00 60.11 N ATOM 368 CA LYS A 22 -25.332 26.430 -11.303 1.00 44.11 C ATOM 369 C LYS A 22 -25.953 25.728 -10.100 1.00 64.50 C ATOM 370 O LYS A 22 -25.636 24.573 -9.813 1.00 32.34 O ATOM 371 CB LYS A 22 -26.145 26.123 -12.562 1.00 61.45 C ATOM 372 CG LYS A 22 -26.453 24.646 -12.742 1.00 52.21 C ATOM 373 CD LYS A 22 -27.927 24.353 -12.520 1.00 15.34 C ATOM 374 CE LYS A 22 -28.630 24.009 -13.824 1.00 13.12 C ATOM 375 NZ LYS A 22 -30.111 24.094 -13.695 1.00 35.23 N ATOM 0 H LYS A 22 -23.656 25.236 -10.901 1.00 60.11 H new ATOM 0 HA LYS A 22 -25.347 27.505 -11.122 1.00 44.11 H new ATOM 0 HB2 LYS A 22 -27.082 26.679 -12.524 1.00 61.45 H new ATOM 0 HB3 LYS A 22 -25.597 26.480 -13.434 1.00 61.45 H new ATOM 0 HG2 LYS A 22 -26.166 24.333 -13.746 1.00 52.21 H new ATOM 0 HG3 LYS A 22 -25.855 24.061 -12.043 1.00 52.21 H new ATOM 0 HD2 LYS A 22 -28.033 23.525 -11.819 1.00 15.34 H new ATOM 0 HD3 LYS A 22 -28.407 25.219 -12.065 1.00 15.34 H new ATOM 0 HE2 LYS A 22 -28.294 24.688 -14.608 1.00 13.12 H new ATOM 0 HE3 LYS A 22 -28.350 23.002 -14.133 1.00 13.12 H new ATOM 0 HZ1 LYS A 22 -30.553 23.852 -14.605 1.00 35.23 H new ATOM 0 HZ2 LYS A 22 -30.435 23.428 -12.965 1.00 35.23 H new ATOM 0 HZ3 LYS A 22 -30.381 25.061 -13.425 1.00 35.23 H new ATOM 389 N ILE A 23 -26.838 26.431 -9.402 1.00 61.30 N ATOM 390 CA ILE A 23 -27.505 25.873 -8.232 1.00 64.41 C ATOM 391 C ILE A 23 -28.990 25.654 -8.498 1.00 71.31 C ATOM 392 O ILE A 23 -29.603 26.373 -9.287 1.00 71.34 O ATOM 393 CB ILE A 23 -27.344 26.787 -7.003 1.00 61.31 C ATOM 394 CG1 ILE A 23 -28.372 27.919 -7.044 1.00 73.14 C ATOM 395 CG2 ILE A 23 -25.931 27.349 -6.942 1.00 75.21 C ATOM 396 CD1 ILE A 23 -29.638 27.614 -6.274 1.00 21.00 C ATOM 0 H ILE A 23 -27.110 27.388 -9.626 1.00 61.30 H new ATOM 0 HA ILE A 23 -27.030 24.914 -8.026 1.00 64.41 H new ATOM 0 HB ILE A 23 -27.518 26.196 -6.104 1.00 61.31 H new ATOM 0 HG12 ILE A 23 -27.920 28.824 -6.640 1.00 73.14 H new ATOM 0 HG13 ILE A 23 -28.629 28.128 -8.082 1.00 73.14 H new ATOM 0 HG21 ILE A 23 -25.833 27.993 -6.068 1.00 75.21 H new ATOM 0 HG22 ILE A 23 -25.216 26.529 -6.871 1.00 75.21 H new ATOM 0 HG23 ILE A 23 -25.730 27.928 -7.844 1.00 75.21 H new ATOM 0 HD11 ILE A 23 -30.321 28.460 -6.347 1.00 21.00 H new ATOM 0 HD12 ILE A 23 -30.114 26.727 -6.692 1.00 21.00 H new ATOM 0 HD13 ILE A 23 -29.393 27.435 -5.227 1.00 21.00 H new ATOM 408 N VAL A 24 -29.564 24.657 -7.832 1.00 73.34 N ATOM 409 CA VAL A 24 -30.979 24.344 -7.994 1.00 52.32 C ATOM 410 C VAL A 24 -31.633 24.044 -6.650 1.00 61.21 C ATOM 411 O VAL A 24 -31.175 23.177 -5.905 1.00 2.34 O ATOM 412 CB VAL A 24 -31.184 23.141 -8.933 1.00 35.50 C ATOM 413 CG1 VAL A 24 -32.401 23.357 -9.821 1.00 24.34 C ATOM 414 CG2 VAL A 24 -29.938 22.901 -9.771 1.00 70.34 C ATOM 0 H VAL A 24 -29.071 24.052 -7.175 1.00 73.34 H new ATOM 0 HA VAL A 24 -31.449 25.223 -8.435 1.00 52.32 H new ATOM 0 HB VAL A 24 -31.361 22.254 -8.325 1.00 35.50 H new ATOM 0 HG11 VAL A 24 -32.530 22.496 -10.478 1.00 24.34 H new ATOM 0 HG12 VAL A 24 -33.289 23.475 -9.199 1.00 24.34 H new ATOM 0 HG13 VAL A 24 -32.258 24.254 -10.423 1.00 24.34 H new ATOM 0 HG21 VAL A 24 -30.101 22.047 -10.429 1.00 70.34 H new ATOM 0 HG22 VAL A 24 -29.727 23.786 -10.371 1.00 70.34 H new ATOM 0 HG23 VAL A 24 -29.092 22.697 -9.115 1.00 70.34 H new ATOM 424 N HIS A 25 -32.707 24.765 -6.346 1.00 52.32 N ATOM 425 CA HIS A 25 -33.426 24.575 -5.091 1.00 43.32 C ATOM 426 C HIS A 25 -32.485 24.723 -3.899 1.00 32.11 C ATOM 427 O HIS A 25 -32.736 24.176 -2.826 1.00 72.41 O ATOM 428 CB HIS A 25 -34.091 23.199 -5.063 1.00 51.04 C ATOM 429 CG HIS A 25 -35.456 23.206 -4.448 1.00 14.14 C ATOM 430 ND1 HIS A 25 -36.551 22.609 -5.037 1.00 1.23 N ATOM 431 CD2 HIS A 25 -35.901 23.741 -3.286 1.00 70.04 C ATOM 432 CE1 HIS A 25 -37.610 22.778 -4.266 1.00 10.05 C ATOM 433 NE2 HIS A 25 -37.242 23.461 -3.197 1.00 15.43 N ATOM 0 H HIS A 25 -33.099 25.486 -6.951 1.00 52.32 H new ATOM 0 HA HIS A 25 -34.196 25.343 -5.022 1.00 43.32 H new ATOM 0 HB2 HIS A 25 -34.163 22.818 -6.082 1.00 51.04 H new ATOM 0 HB3 HIS A 25 -33.455 22.509 -4.509 1.00 51.04 H new ATOM 0 HD2 HIS A 25 -35.311 24.286 -2.564 1.00 70.04 H new ATOM 0 HE1 HIS A 25 -38.607 22.419 -4.474 1.00 10.05 H new ATOM 0 HE2 HIS A 25 -37.855 23.736 -2.430 1.00 15.43 H new ATOM 441 N GLY A 26 -31.400 25.466 -4.095 1.00 52.14 N ATOM 442 CA GLY A 26 -30.438 25.671 -3.028 1.00 54.32 C ATOM 443 C GLY A 26 -29.315 24.654 -3.056 1.00 73.34 C ATOM 444 O GLY A 26 -28.578 24.506 -2.083 1.00 10.23 O ATOM 0 H GLY A 26 -31.170 25.930 -4.974 1.00 52.14 H new ATOM 0 HA2 GLY A 26 -30.018 26.674 -3.109 1.00 54.32 H new ATOM 0 HA3 GLY A 26 -30.949 25.617 -2.067 1.00 54.32 H new ATOM 448 N ASN A 27 -29.186 23.949 -4.176 1.00 23.45 N ATOM 449 CA ASN A 27 -28.145 22.938 -4.326 1.00 34.53 C ATOM 450 C ASN A 27 -27.177 23.315 -5.442 1.00 44.41 C ATOM 451 O ASN A 27 -27.506 23.219 -6.625 1.00 11.31 O ATOM 452 CB ASN A 27 -28.771 21.572 -4.618 1.00 43.12 C ATOM 453 CG ASN A 27 -29.609 21.060 -3.462 1.00 44.34 C ATOM 454 OD1 ASN A 27 -29.319 21.342 -2.299 1.00 74.53 O ATOM 455 ND2 ASN A 27 -30.653 20.304 -3.779 1.00 14.14 N ATOM 0 H ASN A 27 -29.788 24.059 -4.992 1.00 23.45 H new ATOM 0 HA ASN A 27 -27.589 22.883 -3.390 1.00 34.53 H new ATOM 0 HB2 ASN A 27 -29.393 21.644 -5.510 1.00 43.12 H new ATOM 0 HB3 ASN A 27 -27.982 20.853 -4.837 1.00 43.12 H new ATOM 0 HD21 ASN A 27 -31.254 19.930 -3.044 1.00 14.14 H new ATOM 0 HD22 ASN A 27 -30.854 20.097 -4.757 1.00 14.14 H new ATOM 462 N THR A 28 -25.979 23.745 -5.058 1.00 45.34 N ATOM 463 CA THR A 28 -24.962 24.138 -6.026 1.00 4.24 C ATOM 464 C THR A 28 -24.452 22.933 -6.808 1.00 53.21 C ATOM 465 O THR A 28 -24.378 21.824 -6.279 1.00 74.04 O ATOM 466 CB THR A 28 -23.770 24.830 -5.338 1.00 2.42 C ATOM 467 OG1 THR A 28 -24.243 25.768 -4.365 1.00 1.42 O ATOM 468 CG2 THR A 28 -22.898 25.547 -6.358 1.00 22.30 C ATOM 0 H THR A 28 -25.689 23.830 -4.084 1.00 45.34 H new ATOM 0 HA THR A 28 -25.434 24.840 -6.713 1.00 4.24 H new ATOM 0 HB THR A 28 -23.170 24.065 -4.844 1.00 2.42 H new ATOM 0 HG1 THR A 28 -23.504 26.031 -3.777 1.00 1.42 H new ATOM 0 HG21 THR A 28 -22.063 26.028 -5.849 1.00 22.30 H new ATOM 0 HG22 THR A 28 -22.516 24.826 -7.081 1.00 22.30 H new ATOM 0 HG23 THR A 28 -23.490 26.301 -6.876 1.00 22.30 H new ATOM 476 N SER A 29 -24.102 23.158 -8.070 1.00 45.22 N ATOM 477 CA SER A 29 -23.602 22.089 -8.927 1.00 4.22 C ATOM 478 C SER A 29 -22.570 22.623 -9.916 1.00 10.30 C ATOM 479 O SER A 29 -22.852 23.536 -10.692 1.00 54.32 O ATOM 480 CB SER A 29 -24.757 21.431 -9.683 1.00 61.42 C ATOM 481 OG SER A 29 -25.762 20.983 -8.790 1.00 24.41 O ATOM 0 H SER A 29 -24.155 24.071 -8.522 1.00 45.22 H new ATOM 0 HA SER A 29 -23.121 21.344 -8.294 1.00 4.22 H new ATOM 0 HB2 SER A 29 -25.185 22.142 -10.390 1.00 61.42 H new ATOM 0 HB3 SER A 29 -24.382 20.589 -10.265 1.00 61.42 H new ATOM 0 HG SER A 29 -26.490 20.568 -9.298 1.00 24.41 H new ATOM 487 N TYR A 30 -21.374 22.047 -9.882 1.00 4.34 N ATOM 488 CA TYR A 30 -20.298 22.466 -10.773 1.00 20.14 C ATOM 489 C TYR A 30 -20.166 21.510 -11.954 1.00 60.30 C ATOM 490 O TYR A 30 -19.858 20.329 -11.782 1.00 15.43 O ATOM 491 CB TYR A 30 -18.974 22.537 -10.010 1.00 12.44 C ATOM 492 CG TYR A 30 -18.805 23.808 -9.208 1.00 12.11 C ATOM 493 CD1 TYR A 30 -19.776 24.214 -8.300 1.00 41.23 C ATOM 494 CD2 TYR A 30 -17.676 24.603 -9.358 1.00 41.25 C ATOM 495 CE1 TYR A 30 -19.626 25.375 -7.566 1.00 33.20 C ATOM 496 CE2 TYR A 30 -17.517 25.764 -8.627 1.00 52.54 C ATOM 497 CZ TYR A 30 -18.495 26.146 -7.733 1.00 11.23 C ATOM 498 OH TYR A 30 -18.341 27.303 -7.004 1.00 14.14 O ATOM 0 H TYR A 30 -21.125 21.289 -9.247 1.00 4.34 H new ATOM 0 HA TYR A 30 -20.543 23.457 -11.156 1.00 20.14 H new ATOM 0 HB2 TYR A 30 -18.905 21.681 -9.338 1.00 12.44 H new ATOM 0 HB3 TYR A 30 -18.151 22.453 -10.719 1.00 12.44 H new ATOM 0 HD1 TYR A 30 -20.663 23.612 -8.166 1.00 41.23 H new ATOM 0 HD2 TYR A 30 -16.909 24.308 -10.059 1.00 41.25 H new ATOM 0 HE1 TYR A 30 -20.390 25.677 -6.865 1.00 33.20 H new ATOM 0 HE2 TYR A 30 -16.632 26.369 -8.755 1.00 52.54 H new ATOM 0 HH TYR A 30 -17.490 27.727 -7.240 1.00 14.14 H new ATOM 508 N LEU A 31 -20.400 22.028 -13.155 1.00 31.43 N ATOM 509 CA LEU A 31 -20.307 21.222 -14.367 1.00 71.40 C ATOM 510 C LEU A 31 -18.901 21.281 -14.954 1.00 45.20 C ATOM 511 O LEU A 31 -18.468 22.321 -15.452 1.00 24.24 O ATOM 512 CB LEU A 31 -21.325 21.703 -15.402 1.00 50.15 C ATOM 513 CG LEU A 31 -21.392 20.899 -16.702 1.00 12.54 C ATOM 514 CD1 LEU A 31 -21.421 19.408 -16.406 1.00 12.01 C ATOM 515 CD2 LEU A 31 -22.610 21.307 -17.518 1.00 61.13 C ATOM 0 H LEU A 31 -20.655 23.002 -13.315 1.00 31.43 H new ATOM 0 HA LEU A 31 -20.527 20.187 -14.103 1.00 71.40 H new ATOM 0 HB2 LEU A 31 -22.313 21.694 -14.942 1.00 50.15 H new ATOM 0 HB3 LEU A 31 -21.098 22.740 -15.651 1.00 50.15 H new ATOM 0 HG LEU A 31 -20.498 21.115 -17.288 1.00 12.54 H new ATOM 0 HD11 LEU A 31 -21.469 18.852 -17.342 1.00 12.01 H new ATOM 0 HD12 LEU A 31 -20.519 19.127 -15.863 1.00 12.01 H new ATOM 0 HD13 LEU A 31 -22.297 19.174 -15.800 1.00 12.01 H new ATOM 0 HD21 LEU A 31 -22.642 20.725 -18.439 1.00 61.13 H new ATOM 0 HD22 LEU A 31 -23.515 21.121 -16.939 1.00 61.13 H new ATOM 0 HD23 LEU A 31 -22.547 22.368 -17.761 1.00 61.13 H new ATOM 527 N VAL A 32 -18.192 20.158 -14.894 1.00 42.24 N ATOM 528 CA VAL A 32 -16.835 20.081 -15.423 1.00 52.40 C ATOM 529 C VAL A 32 -16.748 19.081 -16.570 1.00 52.23 C ATOM 530 O VAL A 32 -17.463 18.079 -16.591 1.00 55.32 O ATOM 531 CB VAL A 32 -15.828 19.680 -14.329 1.00 34.52 C ATOM 532 CG1 VAL A 32 -16.028 18.226 -13.927 1.00 13.23 C ATOM 533 CG2 VAL A 32 -14.403 19.919 -14.803 1.00 60.21 C ATOM 0 H VAL A 32 -18.535 19.289 -14.484 1.00 42.24 H new ATOM 0 HA VAL A 32 -16.582 21.075 -15.792 1.00 52.40 H new ATOM 0 HB VAL A 32 -16.004 20.303 -13.452 1.00 34.52 H new ATOM 0 HG11 VAL A 32 -15.308 17.960 -13.153 1.00 13.23 H new ATOM 0 HG12 VAL A 32 -17.039 18.090 -13.544 1.00 13.23 H new ATOM 0 HG13 VAL A 32 -15.880 17.585 -14.796 1.00 13.23 H new ATOM 0 HG21 VAL A 32 -13.705 19.630 -14.017 1.00 60.21 H new ATOM 0 HG22 VAL A 32 -14.212 19.323 -15.695 1.00 60.21 H new ATOM 0 HG23 VAL A 32 -14.270 20.975 -15.037 1.00 60.21 H new ATOM 543 N LYS A 33 -15.867 19.359 -17.525 1.00 5.24 N ATOM 544 CA LYS A 33 -15.683 18.484 -18.676 1.00 70.21 C ATOM 545 C LYS A 33 -14.633 17.416 -18.386 1.00 43.42 C ATOM 546 O LYS A 33 -14.161 17.288 -17.256 1.00 61.55 O ATOM 547 CB LYS A 33 -15.271 19.300 -19.903 1.00 4.30 C ATOM 548 CG LYS A 33 -14.054 20.178 -19.668 1.00 43.51 C ATOM 549 CD LYS A 33 -13.632 20.899 -20.938 1.00 34.20 C ATOM 550 CE LYS A 33 -14.364 22.223 -21.097 1.00 21.24 C ATOM 551 NZ LYS A 33 -15.686 22.050 -21.760 1.00 41.10 N ATOM 0 H LYS A 33 -15.268 20.185 -17.524 1.00 5.24 H new ATOM 0 HA LYS A 33 -16.633 17.989 -18.879 1.00 70.21 H new ATOM 0 HB2 LYS A 33 -15.064 18.619 -20.729 1.00 4.30 H new ATOM 0 HB3 LYS A 33 -16.108 19.928 -20.209 1.00 4.30 H new ATOM 0 HG2 LYS A 33 -14.276 20.909 -18.891 1.00 43.51 H new ATOM 0 HG3 LYS A 33 -13.228 19.567 -19.304 1.00 43.51 H new ATOM 0 HD2 LYS A 33 -12.557 21.077 -20.916 1.00 34.20 H new ATOM 0 HD3 LYS A 33 -13.833 20.265 -21.802 1.00 34.20 H new ATOM 0 HE2 LYS A 33 -14.506 22.679 -20.117 1.00 21.24 H new ATOM 0 HE3 LYS A 33 -13.751 22.909 -21.682 1.00 21.24 H new ATOM 0 HZ1 LYS A 33 -15.690 22.562 -22.665 1.00 41.10 H new ATOM 0 HZ2 LYS A 33 -15.858 21.039 -21.933 1.00 41.10 H new ATOM 0 HZ3 LYS A 33 -16.435 22.428 -21.145 1.00 41.10 H new ATOM 565 N TRP A 34 -14.271 16.655 -19.413 1.00 5.45 N ATOM 566 CA TRP A 34 -13.274 15.600 -19.267 1.00 53.12 C ATOM 567 C TRP A 34 -12.128 15.794 -20.253 1.00 42.24 C ATOM 568 O TRP A 34 -12.104 15.183 -21.322 1.00 53.20 O ATOM 569 CB TRP A 34 -13.919 14.229 -19.479 1.00 1.30 C ATOM 570 CG TRP A 34 -15.012 13.929 -18.498 1.00 62.03 C ATOM 571 CD1 TRP A 34 -15.119 14.399 -17.221 1.00 5.34 C ATOM 572 CD2 TRP A 34 -16.151 13.089 -18.715 1.00 51.53 C ATOM 573 NE1 TRP A 34 -16.256 13.903 -16.630 1.00 64.32 N ATOM 574 CE2 TRP A 34 -16.907 13.097 -17.527 1.00 1.34 C ATOM 575 CE3 TRP A 34 -16.608 12.334 -19.798 1.00 65.35 C ATOM 576 CZ2 TRP A 34 -18.091 12.378 -17.393 1.00 73.32 C ATOM 577 CZ3 TRP A 34 -17.783 11.620 -19.664 1.00 70.23 C ATOM 578 CH2 TRP A 34 -18.515 11.646 -18.469 1.00 45.35 C ATOM 0 H TRP A 34 -14.652 16.748 -20.354 1.00 5.45 H new ATOM 0 HA TRP A 34 -12.871 15.652 -18.256 1.00 53.12 H new ATOM 0 HB2 TRP A 34 -14.324 14.178 -20.490 1.00 1.30 H new ATOM 0 HB3 TRP A 34 -13.151 13.459 -19.404 1.00 1.30 H new ATOM 0 HD1 TRP A 34 -14.413 15.063 -16.745 1.00 5.34 H new ATOM 0 HE1 TRP A 34 -16.565 14.102 -15.679 1.00 64.32 H new ATOM 0 HE3 TRP A 34 -16.052 12.309 -20.724 1.00 65.35 H new ATOM 0 HZ2 TRP A 34 -18.655 12.397 -16.472 1.00 73.32 H new ATOM 0 HZ3 TRP A 34 -18.144 11.031 -20.495 1.00 70.23 H new ATOM 0 HH2 TRP A 34 -19.431 11.078 -18.396 1.00 45.35 H new ATOM 754 N GLU A 45 -20.930 17.990 -10.888 1.00 45.53 N ATOM 755 CA GLU A 45 -20.526 17.591 -9.545 1.00 52.21 C ATOM 756 C GLU A 45 -20.835 18.692 -8.534 1.00 74.14 C ATOM 757 O GLU A 45 -20.404 19.835 -8.691 1.00 63.42 O ATOM 758 CB GLU A 45 -19.033 17.260 -9.514 1.00 44.24 C ATOM 759 CG GLU A 45 -18.675 15.989 -10.266 1.00 12.00 C ATOM 760 CD GLU A 45 -17.929 14.991 -9.402 1.00 74.41 C ATOM 761 OE1 GLU A 45 -17.008 15.410 -8.671 1.00 34.45 O ATOM 762 OE2 GLU A 45 -18.268 13.790 -9.458 1.00 24.41 O ATOM 0 HA GLU A 45 -21.094 16.701 -9.272 1.00 52.21 H new ATOM 0 HB2 GLU A 45 -18.476 18.094 -9.941 1.00 44.24 H new ATOM 0 HB3 GLU A 45 -18.713 17.161 -8.477 1.00 44.24 H new ATOM 0 HG2 GLU A 45 -19.586 15.526 -10.645 1.00 12.00 H new ATOM 0 HG3 GLU A 45 -18.063 16.243 -11.132 1.00 12.00 H new ATOM 769 N THR A 46 -21.587 18.340 -7.496 1.00 30.41 N ATOM 770 CA THR A 46 -21.956 19.296 -6.460 1.00 52.12 C ATOM 771 C THR A 46 -20.757 20.134 -6.033 1.00 3.21 C ATOM 772 O THR A 46 -19.614 19.687 -6.121 1.00 44.40 O ATOM 773 CB THR A 46 -22.540 18.587 -5.223 1.00 43.42 C ATOM 774 OG1 THR A 46 -22.110 17.222 -5.193 1.00 30.21 O ATOM 775 CG2 THR A 46 -24.060 18.646 -5.233 1.00 2.02 C ATOM 0 H THR A 46 -21.953 17.399 -7.351 1.00 30.41 H new ATOM 0 HA THR A 46 -22.717 19.948 -6.888 1.00 52.12 H new ATOM 0 HB THR A 46 -22.179 19.101 -4.332 1.00 43.42 H new ATOM 0 HG1 THR A 46 -22.484 16.779 -4.403 1.00 30.21 H new ATOM 0 HG21 THR A 46 -24.450 18.139 -4.350 1.00 2.02 H new ATOM 0 HG22 THR A 46 -24.384 19.687 -5.226 1.00 2.02 H new ATOM 0 HG23 THR A 46 -24.437 18.154 -6.130 1.00 2.02 H new ATOM 783 N GLU A 47 -21.026 21.351 -5.569 1.00 65.25 N ATOM 784 CA GLU A 47 -19.966 22.251 -5.129 1.00 33.24 C ATOM 785 C GLU A 47 -19.174 21.636 -3.978 1.00 50.43 C ATOM 786 O GLU A 47 -18.054 22.056 -3.688 1.00 43.41 O ATOM 787 CB GLU A 47 -20.556 23.595 -4.696 1.00 21.22 C ATOM 788 CG GLU A 47 -19.632 24.406 -3.803 1.00 64.22 C ATOM 789 CD GLU A 47 -20.211 25.759 -3.440 1.00 1.13 C ATOM 790 OE1 GLU A 47 -21.432 25.835 -3.190 1.00 21.33 O ATOM 791 OE2 GLU A 47 -19.442 26.743 -3.405 1.00 72.11 O ATOM 0 H GLU A 47 -21.967 21.736 -5.488 1.00 65.25 H new ATOM 0 HA GLU A 47 -19.289 22.413 -5.968 1.00 33.24 H new ATOM 0 HB2 GLU A 47 -20.795 24.180 -5.584 1.00 21.22 H new ATOM 0 HB3 GLU A 47 -21.494 23.418 -4.169 1.00 21.22 H new ATOM 0 HG2 GLU A 47 -19.430 23.845 -2.891 1.00 64.22 H new ATOM 0 HG3 GLU A 47 -18.677 24.548 -4.308 1.00 64.22 H new ATOM 798 N ASP A 48 -19.764 20.641 -3.327 1.00 33.51 N ATOM 799 CA ASP A 48 -19.115 19.967 -2.208 1.00 44.13 C ATOM 800 C ASP A 48 -18.456 18.669 -2.664 1.00 71.31 C ATOM 801 O ASP A 48 -17.856 17.951 -1.864 1.00 1.24 O ATOM 802 CB ASP A 48 -20.129 19.678 -1.101 1.00 21.42 C ATOM 803 CG ASP A 48 -19.678 20.200 0.249 1.00 45.42 C ATOM 804 OD1 ASP A 48 -19.216 21.359 0.312 1.00 1.34 O ATOM 805 OD2 ASP A 48 -19.787 19.451 1.242 1.00 44.05 O ATOM 0 H ASP A 48 -20.691 20.282 -3.554 1.00 33.51 H new ATOM 0 HA ASP A 48 -18.342 20.628 -1.817 1.00 44.13 H new ATOM 0 HB2 ASP A 48 -21.086 20.131 -1.361 1.00 21.42 H new ATOM 0 HB3 ASP A 48 -20.293 18.603 -1.035 1.00 21.42 H new ATOM 810 N ASP A 49 -18.573 18.373 -3.954 1.00 34.12 N ATOM 811 CA ASP A 49 -17.990 17.161 -4.516 1.00 64.25 C ATOM 812 C ASP A 49 -17.149 17.484 -5.748 1.00 23.43 C ATOM 813 O ASP A 49 -16.599 16.587 -6.389 1.00 34.05 O ATOM 814 CB ASP A 49 -19.089 16.162 -4.882 1.00 24.23 C ATOM 815 CG ASP A 49 -18.747 14.746 -4.462 1.00 22.24 C ATOM 816 OD1 ASP A 49 -18.796 14.460 -3.247 1.00 61.53 O ATOM 817 OD2 ASP A 49 -18.429 13.924 -5.347 1.00 54.11 O ATOM 0 H ASP A 49 -19.066 18.956 -4.630 1.00 34.12 H new ATOM 0 HA ASP A 49 -17.342 16.716 -3.761 1.00 64.25 H new ATOM 0 HB2 ASP A 49 -20.023 16.463 -4.407 1.00 24.23 H new ATOM 0 HB3 ASP A 49 -19.256 16.188 -5.959 1.00 24.23 H new ATOM 822 N ILE A 50 -17.054 18.768 -6.073 1.00 1.43 N ATOM 823 CA ILE A 50 -16.280 19.209 -7.227 1.00 32.31 C ATOM 824 C ILE A 50 -14.912 19.734 -6.804 1.00 74.20 C ATOM 825 O ILE A 50 -13.907 19.483 -7.469 1.00 31.42 O ATOM 826 CB ILE A 50 -17.019 20.308 -8.014 1.00 24.34 C ATOM 827 CG1 ILE A 50 -16.273 20.625 -9.311 1.00 61.15 C ATOM 828 CG2 ILE A 50 -17.167 21.560 -7.162 1.00 71.31 C ATOM 829 CD1 ILE A 50 -16.949 20.074 -10.547 1.00 74.12 C ATOM 0 H ILE A 50 -17.503 19.522 -5.554 1.00 1.43 H new ATOM 0 HA ILE A 50 -16.149 18.339 -7.870 1.00 32.31 H new ATOM 0 HB ILE A 50 -18.015 19.946 -8.269 1.00 24.34 H new ATOM 0 HG12 ILE A 50 -16.177 21.706 -9.411 1.00 61.15 H new ATOM 0 HG13 ILE A 50 -15.263 20.220 -9.248 1.00 61.15 H new ATOM 0 HG21 ILE A 50 -17.691 22.328 -7.731 1.00 71.31 H new ATOM 0 HG22 ILE A 50 -17.736 21.323 -6.263 1.00 71.31 H new ATOM 0 HG23 ILE A 50 -16.180 21.927 -6.880 1.00 71.31 H new ATOM 0 HD11 ILE A 50 -16.365 20.337 -11.429 1.00 74.12 H new ATOM 0 HD12 ILE A 50 -17.021 18.989 -10.469 1.00 74.12 H new ATOM 0 HD13 ILE A 50 -17.949 20.498 -10.635 1.00 74.12 H new ATOM 841 N ARG A 51 -14.882 20.463 -5.693 1.00 70.51 N ATOM 842 CA ARG A 51 -13.637 21.023 -5.181 1.00 34.45 C ATOM 843 C ARG A 51 -12.832 19.964 -4.433 1.00 31.02 C ATOM 844 O ARG A 51 -11.635 20.130 -4.196 1.00 50.51 O ATOM 845 CB ARG A 51 -13.929 22.205 -4.255 1.00 5.31 C ATOM 846 CG ARG A 51 -15.189 22.032 -3.424 1.00 11.24 C ATOM 847 CD ARG A 51 -15.031 20.922 -2.397 1.00 31.32 C ATOM 848 NE ARG A 51 -15.348 21.376 -1.046 1.00 12.43 N ATOM 849 CZ ARG A 51 -15.779 20.571 -0.081 1.00 63.32 C ATOM 850 NH1 ARG A 51 -15.942 19.276 -0.318 1.00 11.43 N ATOM 851 NH2 ARG A 51 -16.046 21.059 1.123 1.00 13.41 N ATOM 0 H ARG A 51 -15.705 20.679 -5.131 1.00 70.51 H new ATOM 0 HA ARG A 51 -13.047 21.371 -6.029 1.00 34.45 H new ATOM 0 HB2 ARG A 51 -13.080 22.350 -3.586 1.00 5.31 H new ATOM 0 HB3 ARG A 51 -14.021 23.111 -4.854 1.00 5.31 H new ATOM 0 HG2 ARG A 51 -15.423 22.968 -2.917 1.00 11.24 H new ATOM 0 HG3 ARG A 51 -16.030 21.806 -4.079 1.00 11.24 H new ATOM 0 HD2 ARG A 51 -15.682 20.089 -2.661 1.00 31.32 H new ATOM 0 HD3 ARG A 51 -14.008 20.548 -2.423 1.00 31.32 H new ATOM 0 HE ARG A 51 -15.232 22.366 -0.831 1.00 12.43 H new ATOM 0 HH11 ARG A 51 -15.736 18.897 -1.242 1.00 11.43 H new ATOM 0 HH12 ARG A 51 -16.273 18.659 0.424 1.00 11.43 H new ATOM 0 HH21 ARG A 51 -15.921 22.054 1.309 1.00 13.41 H new ATOM 0 HH22 ARG A 51 -16.377 20.439 1.863 1.00 13.41 H new ATOM 865 N THR A 52 -13.497 18.874 -4.062 1.00 71.04 N ATOM 866 CA THR A 52 -12.845 17.789 -3.340 1.00 43.13 C ATOM 867 C THR A 52 -12.168 16.818 -4.301 1.00 35.20 C ATOM 868 O THR A 52 -11.169 16.185 -3.959 1.00 72.25 O ATOM 869 CB THR A 52 -13.848 17.014 -2.465 1.00 64.45 C ATOM 870 OG1 THR A 52 -13.152 16.077 -1.635 1.00 3.40 O ATOM 871 CG2 THR A 52 -14.862 16.278 -3.328 1.00 30.21 C ATOM 0 H THR A 52 -14.488 18.720 -4.250 1.00 71.04 H new ATOM 0 HA THR A 52 -12.091 18.244 -2.698 1.00 43.13 H new ATOM 0 HB THR A 52 -14.379 17.730 -1.838 1.00 64.45 H new ATOM 0 HG1 THR A 52 -13.796 15.589 -1.081 1.00 3.40 H new ATOM 0 HG21 THR A 52 -15.560 15.738 -2.688 1.00 30.21 H new ATOM 0 HG22 THR A 52 -15.410 16.996 -3.938 1.00 30.21 H new ATOM 0 HG23 THR A 52 -14.343 15.572 -3.977 1.00 30.21 H new ATOM 879 N LYS A 53 -12.719 16.704 -5.505 1.00 42.40 N ATOM 880 CA LYS A 53 -12.168 15.811 -6.518 1.00 0.35 C ATOM 881 C LYS A 53 -11.452 16.601 -7.608 1.00 50.34 C ATOM 882 O LYS A 53 -10.467 16.135 -8.181 1.00 60.21 O ATOM 883 CB LYS A 53 -13.280 14.960 -7.136 1.00 4.25 C ATOM 884 CG LYS A 53 -14.177 14.292 -6.108 1.00 65.10 C ATOM 885 CD LYS A 53 -13.368 13.503 -5.092 1.00 34.24 C ATOM 886 CE LYS A 53 -12.613 12.357 -5.748 1.00 41.51 C ATOM 887 NZ LYS A 53 -12.845 11.065 -5.046 1.00 11.15 N ATOM 0 H LYS A 53 -13.547 17.219 -5.803 1.00 42.40 H new ATOM 0 HA LYS A 53 -11.444 15.156 -6.034 1.00 0.35 H new ATOM 0 HB2 LYS A 53 -13.890 15.589 -7.784 1.00 4.25 H new ATOM 0 HB3 LYS A 53 -12.831 14.193 -7.767 1.00 4.25 H new ATOM 0 HG2 LYS A 53 -14.770 15.049 -5.594 1.00 65.10 H new ATOM 0 HG3 LYS A 53 -14.878 13.627 -6.612 1.00 65.10 H new ATOM 0 HD2 LYS A 53 -12.662 14.167 -4.593 1.00 34.24 H new ATOM 0 HD3 LYS A 53 -14.033 13.109 -4.323 1.00 34.24 H new ATOM 0 HE2 LYS A 53 -12.924 12.266 -6.789 1.00 41.51 H new ATOM 0 HE3 LYS A 53 -11.546 12.581 -5.753 1.00 41.51 H new ATOM 0 HZ1 LYS A 53 -12.313 10.310 -5.524 1.00 11.15 H new ATOM 0 HZ2 LYS A 53 -12.524 11.143 -4.060 1.00 11.15 H new ATOM 0 HZ3 LYS A 53 -13.860 10.838 -5.063 1.00 11.15 H new ATOM 901 N TYR A 54 -11.952 17.799 -7.890 1.00 11.22 N ATOM 902 CA TYR A 54 -11.361 18.653 -8.913 1.00 5.43 C ATOM 903 C TYR A 54 -11.014 20.025 -8.343 1.00 4.52 C ATOM 904 O TYR A 54 -10.996 21.023 -9.063 1.00 23.04 O ATOM 905 CB TYR A 54 -12.319 18.807 -10.095 1.00 44.31 C ATOM 906 CG TYR A 54 -13.015 17.522 -10.481 1.00 53.21 C ATOM 907 CD1 TYR A 54 -12.293 16.427 -10.939 1.00 1.31 C ATOM 908 CD2 TYR A 54 -14.397 17.403 -10.387 1.00 25.41 C ATOM 909 CE1 TYR A 54 -12.926 15.252 -11.293 1.00 64.44 C ATOM 910 CE2 TYR A 54 -15.038 16.230 -10.738 1.00 4.22 C ATOM 911 CZ TYR A 54 -14.298 15.158 -11.191 1.00 21.21 C ATOM 912 OH TYR A 54 -14.932 13.988 -11.542 1.00 23.14 O ATOM 0 H TYR A 54 -12.766 18.201 -7.424 1.00 11.22 H new ATOM 0 HA TYR A 54 -10.442 18.180 -9.259 1.00 5.43 H new ATOM 0 HB2 TYR A 54 -13.070 19.557 -9.848 1.00 44.31 H new ATOM 0 HB3 TYR A 54 -11.764 19.183 -10.955 1.00 44.31 H new ATOM 0 HD1 TYR A 54 -11.218 16.496 -11.020 1.00 1.31 H new ATOM 0 HD2 TYR A 54 -14.979 18.241 -10.034 1.00 25.41 H new ATOM 0 HE1 TYR A 54 -12.349 14.411 -11.648 1.00 64.44 H new ATOM 0 HE2 TYR A 54 -16.112 16.153 -10.658 1.00 4.22 H new ATOM 0 HH TYR A 54 -15.898 14.087 -11.410 1.00 23.14 H new ATOM 922 N GLY A 55 -10.737 20.067 -7.043 1.00 35.33 N ATOM 923 CA GLY A 55 -10.394 21.320 -6.397 1.00 30.13 C ATOM 924 C GLY A 55 -9.319 22.082 -7.145 1.00 5.31 C ATOM 925 O GLY A 55 -9.206 23.301 -7.013 1.00 54.20 O ATOM 0 H GLY A 55 -10.744 19.255 -6.426 1.00 35.33 H new ATOM 0 HA2 GLY A 55 -11.287 21.941 -6.318 1.00 30.13 H new ATOM 0 HA3 GLY A 55 -10.053 21.120 -5.381 1.00 30.13 H new ATOM 929 N ASP A 56 -8.525 21.364 -7.931 1.00 24.30 N ATOM 930 CA ASP A 56 -7.452 21.980 -8.703 1.00 23.12 C ATOM 931 C ASP A 56 -7.999 23.068 -9.621 1.00 60.15 C ATOM 932 O ASP A 56 -7.543 24.212 -9.587 1.00 33.21 O ATOM 933 CB ASP A 56 -6.715 20.923 -9.527 1.00 21.45 C ATOM 934 CG ASP A 56 -5.216 20.955 -9.302 1.00 41.03 C ATOM 935 OD1 ASP A 56 -4.550 21.846 -9.870 1.00 2.21 O ATOM 936 OD2 ASP A 56 -4.709 20.090 -8.558 1.00 61.24 O ATOM 0 H ASP A 56 -8.604 20.354 -8.051 1.00 24.30 H new ATOM 0 HA ASP A 56 -6.752 22.437 -8.004 1.00 23.12 H new ATOM 0 HB2 ASP A 56 -7.097 19.935 -9.270 1.00 21.45 H new ATOM 0 HB3 ASP A 56 -6.924 21.080 -10.585 1.00 21.45 H new ATOM 941 N LEU A 57 -8.978 22.704 -10.443 1.00 5.30 N ATOM 942 CA LEU A 57 -9.587 23.649 -11.373 1.00 1.25 C ATOM 943 C LEU A 57 -10.674 24.468 -10.683 1.00 23.52 C ATOM 944 O LEU A 57 -10.888 25.635 -11.009 1.00 45.20 O ATOM 945 CB LEU A 57 -10.176 22.906 -12.573 1.00 13.13 C ATOM 946 CG LEU A 57 -10.672 21.484 -12.305 1.00 4.54 C ATOM 947 CD1 LEU A 57 -11.876 21.165 -13.177 1.00 1.51 C ATOM 948 CD2 LEU A 57 -9.556 20.477 -12.543 1.00 52.22 C ATOM 0 H LEU A 57 -9.367 21.762 -10.484 1.00 5.30 H new ATOM 0 HA LEU A 57 -8.811 24.330 -11.721 1.00 1.25 H new ATOM 0 HB2 LEU A 57 -11.008 23.492 -12.965 1.00 13.13 H new ATOM 0 HB3 LEU A 57 -9.419 22.864 -13.356 1.00 13.13 H new ATOM 0 HG LEU A 57 -10.978 21.417 -11.261 1.00 4.54 H new ATOM 0 HD11 LEU A 57 -12.215 20.149 -12.972 1.00 1.51 H new ATOM 0 HD12 LEU A 57 -12.680 21.867 -12.957 1.00 1.51 H new ATOM 0 HD13 LEU A 57 -11.597 21.250 -14.227 1.00 1.51 H new ATOM 0 HD21 LEU A 57 -9.926 19.471 -12.348 1.00 52.22 H new ATOM 0 HD22 LEU A 57 -9.219 20.545 -13.577 1.00 52.22 H new ATOM 0 HD23 LEU A 57 -8.722 20.693 -11.875 1.00 52.22 H new ATOM 960 N VAL A 58 -11.357 23.847 -9.726 1.00 3.42 N ATOM 961 CA VAL A 58 -12.419 24.519 -8.987 1.00 73.01 C ATOM 962 C VAL A 58 -11.921 25.821 -8.370 1.00 54.10 C ATOM 963 O VAL A 58 -12.633 26.826 -8.357 1.00 63.13 O ATOM 964 CB VAL A 58 -12.984 23.618 -7.872 1.00 43.34 C ATOM 965 CG1 VAL A 58 -14.073 24.345 -7.098 1.00 41.35 C ATOM 966 CG2 VAL A 58 -13.511 22.316 -8.456 1.00 14.40 C ATOM 0 H VAL A 58 -11.194 22.880 -9.445 1.00 3.42 H new ATOM 0 HA VAL A 58 -13.211 24.739 -9.702 1.00 73.01 H new ATOM 0 HB VAL A 58 -12.178 23.378 -7.178 1.00 43.34 H new ATOM 0 HG11 VAL A 58 -14.460 23.693 -6.315 1.00 41.35 H new ATOM 0 HG12 VAL A 58 -13.659 25.247 -6.647 1.00 41.35 H new ATOM 0 HG13 VAL A 58 -14.882 24.617 -7.776 1.00 41.35 H new ATOM 0 HG21 VAL A 58 -13.906 21.692 -7.655 1.00 14.40 H new ATOM 0 HG22 VAL A 58 -14.304 22.533 -9.172 1.00 14.40 H new ATOM 0 HG23 VAL A 58 -12.701 21.789 -8.960 1.00 14.40 H new ATOM 976 N ASP A 59 -10.695 25.796 -7.860 1.00 12.44 N ATOM 977 CA ASP A 59 -10.100 26.976 -7.242 1.00 33.23 C ATOM 978 C ASP A 59 -9.546 27.923 -8.301 1.00 54.42 C ATOM 979 O ASP A 59 -8.901 28.921 -7.979 1.00 41.15 O ATOM 980 CB ASP A 59 -8.988 26.565 -6.275 1.00 52.42 C ATOM 981 CG ASP A 59 -9.511 25.767 -5.097 1.00 4.41 C ATOM 982 OD1 ASP A 59 -10.743 25.737 -4.902 1.00 35.55 O ATOM 983 OD2 ASP A 59 -8.687 25.174 -4.369 1.00 45.34 O ATOM 0 H ASP A 59 -10.094 24.972 -7.862 1.00 12.44 H new ATOM 0 HA ASP A 59 -10.880 27.498 -6.687 1.00 33.23 H new ATOM 0 HB2 ASP A 59 -8.246 25.973 -6.810 1.00 52.42 H new ATOM 0 HB3 ASP A 59 -8.481 27.458 -5.909 1.00 52.42 H new ATOM 988 N ASP A 60 -9.802 27.604 -9.565 1.00 71.20 N ATOM 989 CA ASP A 60 -9.329 28.426 -10.672 1.00 52.44 C ATOM 990 C ASP A 60 -10.501 29.019 -11.448 1.00 53.23 C ATOM 991 O ASP A 60 -10.343 29.992 -12.186 1.00 4.34 O ATOM 992 CB ASP A 60 -8.447 27.600 -11.609 1.00 71.24 C ATOM 993 CG ASP A 60 -7.475 28.457 -12.396 1.00 11.22 C ATOM 994 OD1 ASP A 60 -6.544 29.016 -11.779 1.00 33.10 O ATOM 995 OD2 ASP A 60 -7.646 28.570 -13.628 1.00 4.20 O ATOM 0 H ASP A 60 -10.335 26.782 -9.848 1.00 71.20 H new ATOM 0 HA ASP A 60 -8.739 29.244 -10.258 1.00 52.44 H new ATOM 0 HB2 ASP A 60 -7.890 26.866 -11.026 1.00 71.24 H new ATOM 0 HB3 ASP A 60 -9.079 27.044 -12.301 1.00 71.24 H new ATOM 1000 N PHE A 61 -11.678 28.425 -11.278 1.00 1.42 N ATOM 1001 CA PHE A 61 -12.877 28.893 -11.964 1.00 2.24 C ATOM 1002 C PHE A 61 -13.716 29.780 -11.048 1.00 44.44 C ATOM 1003 O PHE A 61 -13.993 30.935 -11.371 1.00 72.00 O ATOM 1004 CB PHE A 61 -13.711 27.704 -12.445 1.00 53.40 C ATOM 1005 CG PHE A 61 -15.037 28.100 -13.030 1.00 10.25 C ATOM 1006 CD1 PHE A 61 -15.148 28.427 -14.372 1.00 4.05 C ATOM 1007 CD2 PHE A 61 -16.173 28.145 -12.237 1.00 62.02 C ATOM 1008 CE1 PHE A 61 -16.366 28.792 -14.912 1.00 12.35 C ATOM 1009 CE2 PHE A 61 -17.394 28.509 -12.772 1.00 13.12 C ATOM 1010 CZ PHE A 61 -17.491 28.832 -14.111 1.00 52.21 C ATOM 0 H PHE A 61 -11.827 27.619 -10.671 1.00 1.42 H new ATOM 0 HA PHE A 61 -12.566 29.483 -12.826 1.00 2.24 H new ATOM 0 HB2 PHE A 61 -13.143 27.151 -13.193 1.00 53.40 H new ATOM 0 HB3 PHE A 61 -13.880 27.026 -11.608 1.00 53.40 H new ATOM 0 HD1 PHE A 61 -14.272 28.396 -15.003 1.00 4.05 H new ATOM 0 HD2 PHE A 61 -16.103 27.893 -11.189 1.00 62.02 H new ATOM 0 HE1 PHE A 61 -16.439 29.046 -15.959 1.00 12.35 H new ATOM 0 HE2 PHE A 61 -18.272 28.541 -12.143 1.00 13.12 H new ATOM 0 HZ PHE A 61 -18.445 29.115 -14.531 1.00 52.21 H new