USER MOD reduce.3.24.130724 H: found=0, std=0, add=301, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 302 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 21 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0435) 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= -0.249 K(o=-0.25,f=-5.5!) USER MOD Single : A 28 THR OG1 : rot 166:sc= 0.026 USER MOD Single : A 29 SER OG : rot 180:sc=-0.00304 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= -0.265 (180deg=-0.266) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 247 N GLU A 16 -9.086 20.055 -17.313 1.00 12.44 N ATOM 248 CA GLU A 16 -8.946 21.248 -18.140 1.00 73.33 C ATOM 249 C GLU A 16 -9.405 22.491 -17.385 1.00 15.53 C ATOM 250 O GLU A 16 -8.600 23.362 -17.054 1.00 14.04 O ATOM 251 CB GLU A 16 -9.752 21.096 -19.432 1.00 42.14 C ATOM 252 CG GLU A 16 -8.889 20.959 -20.675 1.00 44.33 C ATOM 253 CD GLU A 16 -8.605 22.293 -21.338 1.00 41.32 C ATOM 254 OE1 GLU A 16 -8.306 23.265 -20.613 1.00 64.14 O ATOM 255 OE2 GLU A 16 -8.682 22.365 -22.583 1.00 32.13 O ATOM 0 HA GLU A 16 -7.891 21.365 -18.389 1.00 73.33 H new ATOM 0 HB2 GLU A 16 -10.395 20.220 -19.348 1.00 42.14 H new ATOM 0 HB3 GLU A 16 -10.405 21.961 -19.547 1.00 42.14 H new ATOM 0 HG2 GLU A 16 -7.946 20.483 -20.407 1.00 44.33 H new ATOM 0 HG3 GLU A 16 -9.387 20.302 -21.388 1.00 44.33 H new ATOM 262 N ARG A 17 -10.705 22.567 -17.116 1.00 42.31 N ATOM 263 CA ARG A 17 -11.272 23.704 -16.402 1.00 12.54 C ATOM 264 C ARG A 17 -12.752 23.478 -16.107 1.00 31.01 C ATOM 265 O ARG A 17 -13.379 22.585 -16.678 1.00 52.42 O ATOM 266 CB ARG A 17 -11.094 24.987 -17.217 1.00 21.32 C ATOM 267 CG ARG A 17 -12.243 25.266 -18.172 1.00 21.12 C ATOM 268 CD ARG A 17 -12.451 24.116 -19.145 1.00 21.45 C ATOM 269 NE ARG A 17 -12.775 24.587 -20.488 1.00 63.14 N ATOM 270 CZ ARG A 17 -13.913 25.197 -20.799 1.00 0.12 C ATOM 271 NH1 ARG A 17 -14.831 25.409 -19.866 1.00 11.30 N ATOM 272 NH2 ARG A 17 -14.135 25.597 -22.044 1.00 44.14 N ATOM 0 H ARG A 17 -11.385 21.854 -17.382 1.00 42.31 H new ATOM 0 HA ARG A 17 -10.742 23.807 -15.455 1.00 12.54 H new ATOM 0 HB2 ARG A 17 -10.988 25.830 -16.534 1.00 21.32 H new ATOM 0 HB3 ARG A 17 -10.167 24.920 -17.787 1.00 21.32 H new ATOM 0 HG2 ARG A 17 -13.158 25.433 -17.603 1.00 21.12 H new ATOM 0 HG3 ARG A 17 -12.042 26.182 -18.727 1.00 21.12 H new ATOM 0 HD2 ARG A 17 -11.549 23.506 -19.183 1.00 21.45 H new ATOM 0 HD3 ARG A 17 -13.254 23.475 -18.782 1.00 21.45 H new ATOM 0 HE ARG A 17 -12.089 24.439 -21.229 1.00 63.14 H new ATOM 0 HH11 ARG A 17 -14.664 25.103 -18.907 1.00 11.30 H new ATOM 0 HH12 ARG A 17 -15.704 25.878 -20.107 1.00 11.30 H new ATOM 0 HH21 ARG A 17 -13.431 25.436 -22.764 1.00 44.14 H new ATOM 0 HH22 ARG A 17 -15.010 26.065 -22.281 1.00 44.14 H new ATOM 286 N ILE A 18 -13.303 24.291 -15.212 1.00 50.11 N ATOM 287 CA ILE A 18 -14.709 24.180 -14.842 1.00 65.54 C ATOM 288 C ILE A 18 -15.614 24.649 -15.976 1.00 10.21 C ATOM 289 O ILE A 18 -15.657 25.836 -16.300 1.00 2.24 O ATOM 290 CB ILE A 18 -15.024 24.997 -13.576 1.00 12.01 C ATOM 291 CG1 ILE A 18 -14.060 24.624 -12.448 1.00 62.12 C ATOM 292 CG2 ILE A 18 -16.465 24.770 -13.145 1.00 14.14 C ATOM 293 CD1 ILE A 18 -14.490 23.404 -11.664 1.00 60.11 C ATOM 0 H ILE A 18 -12.797 25.034 -14.730 1.00 50.11 H new ATOM 0 HA ILE A 18 -14.900 23.126 -14.640 1.00 65.54 H new ATOM 0 HB ILE A 18 -14.895 26.055 -13.803 1.00 12.01 H new ATOM 0 HG12 ILE A 18 -13.071 24.444 -12.870 1.00 62.12 H new ATOM 0 HG13 ILE A 18 -13.967 25.469 -11.766 1.00 62.12 H new ATOM 0 HG21 ILE A 18 -16.673 25.354 -12.249 1.00 14.14 H new ATOM 0 HG22 ILE A 18 -17.137 25.081 -13.945 1.00 14.14 H new ATOM 0 HG23 ILE A 18 -16.619 23.712 -12.932 1.00 14.14 H new ATOM 0 HD11 ILE A 18 -13.760 23.199 -10.881 1.00 60.11 H new ATOM 0 HD12 ILE A 18 -15.465 23.587 -11.212 1.00 60.11 H new ATOM 0 HD13 ILE A 18 -14.556 22.546 -12.333 1.00 60.11 H new ATOM 305 N VAL A 19 -16.339 23.710 -16.575 1.00 63.32 N ATOM 306 CA VAL A 19 -17.247 24.027 -17.671 1.00 45.20 C ATOM 307 C VAL A 19 -18.307 25.031 -17.233 1.00 2.31 C ATOM 308 O VAL A 19 -18.490 26.071 -17.865 1.00 52.53 O ATOM 309 CB VAL A 19 -17.943 22.762 -18.207 1.00 52.51 C ATOM 310 CG1 VAL A 19 -18.678 23.066 -19.504 1.00 14.54 C ATOM 311 CG2 VAL A 19 -16.933 21.643 -18.407 1.00 73.42 C ATOM 0 H VAL A 19 -16.315 22.723 -16.320 1.00 63.32 H new ATOM 0 HA VAL A 19 -16.643 24.464 -18.466 1.00 45.20 H new ATOM 0 HB VAL A 19 -18.676 22.432 -17.471 1.00 52.51 H new ATOM 0 HG11 VAL A 19 -19.164 22.161 -19.868 1.00 14.54 H new ATOM 0 HG12 VAL A 19 -19.430 23.834 -19.324 1.00 14.54 H new ATOM 0 HG13 VAL A 19 -17.967 23.421 -20.250 1.00 14.54 H new ATOM 0 HG21 VAL A 19 -17.442 20.757 -18.786 1.00 73.42 H new ATOM 0 HG22 VAL A 19 -16.175 21.961 -19.123 1.00 73.42 H new ATOM 0 HG23 VAL A 19 -16.457 21.408 -17.455 1.00 73.42 H new ATOM 321 N ARG A 20 -19.002 24.713 -16.146 1.00 73.31 N ATOM 322 CA ARG A 20 -20.045 25.587 -15.623 1.00 74.32 C ATOM 323 C ARG A 20 -20.435 25.180 -14.205 1.00 2.31 C ATOM 324 O ARG A 20 -19.794 24.325 -13.594 1.00 63.12 O ATOM 325 CB ARG A 20 -21.275 25.549 -16.532 1.00 74.50 C ATOM 326 CG ARG A 20 -21.890 24.165 -16.667 1.00 71.01 C ATOM 327 CD ARG A 20 -21.398 23.457 -17.920 1.00 33.23 C ATOM 328 NE ARG A 20 -22.502 22.967 -18.740 1.00 73.45 N ATOM 329 CZ ARG A 20 -23.230 23.745 -19.534 1.00 33.24 C ATOM 330 NH1 ARG A 20 -22.972 25.043 -19.613 1.00 31.22 N ATOM 331 NH2 ARG A 20 -24.219 23.225 -20.250 1.00 23.41 N ATOM 0 H ARG A 20 -18.862 23.856 -15.610 1.00 73.31 H new ATOM 0 HA ARG A 20 -19.652 26.604 -15.596 1.00 74.32 H new ATOM 0 HB2 ARG A 20 -22.027 26.235 -16.141 1.00 74.50 H new ATOM 0 HB3 ARG A 20 -20.996 25.912 -17.521 1.00 74.50 H new ATOM 0 HG2 ARG A 20 -21.642 23.568 -15.789 1.00 71.01 H new ATOM 0 HG3 ARG A 20 -22.976 24.250 -16.698 1.00 71.01 H new ATOM 0 HD2 ARG A 20 -20.786 24.142 -18.507 1.00 33.23 H new ATOM 0 HD3 ARG A 20 -20.758 22.621 -17.637 1.00 33.23 H new ATOM 0 HE ARG A 20 -22.727 21.973 -18.701 1.00 73.45 H new ATOM 0 HH11 ARG A 20 -22.213 25.447 -19.064 1.00 31.22 H new ATOM 0 HH12 ARG A 20 -23.532 25.638 -20.223 1.00 31.22 H new ATOM 0 HH21 ARG A 20 -24.421 22.227 -20.191 1.00 23.41 H new ATOM 0 HH22 ARG A 20 -24.777 23.823 -20.859 1.00 23.41 H new ATOM 345 N LYS A 21 -21.489 25.800 -13.686 1.00 75.10 N ATOM 346 CA LYS A 21 -21.966 25.503 -12.340 1.00 50.43 C ATOM 347 C LYS A 21 -23.437 25.879 -12.189 1.00 3.01 C ATOM 348 O LYS A 21 -23.964 26.688 -12.953 1.00 5.12 O ATOM 349 CB LYS A 21 -21.128 26.254 -11.303 1.00 44.12 C ATOM 350 CG LYS A 21 -21.381 27.752 -11.285 1.00 64.41 C ATOM 351 CD LYS A 21 -20.723 28.414 -10.086 1.00 32.22 C ATOM 352 CE LYS A 21 -21.595 29.520 -9.512 1.00 75.20 C ATOM 353 NZ LYS A 21 -21.906 30.564 -10.527 1.00 53.12 N ATOM 0 H LYS A 21 -22.030 26.512 -14.177 1.00 75.10 H new ATOM 0 HA LYS A 21 -21.864 24.431 -12.173 1.00 50.43 H new ATOM 0 HB2 LYS A 21 -21.339 25.847 -10.314 1.00 44.12 H new ATOM 0 HB3 LYS A 21 -20.072 26.075 -11.503 1.00 44.12 H new ATOM 0 HG2 LYS A 21 -20.998 28.198 -12.203 1.00 64.41 H new ATOM 0 HG3 LYS A 21 -22.454 27.940 -11.262 1.00 64.41 H new ATOM 0 HD2 LYS A 21 -20.529 27.666 -9.317 1.00 32.22 H new ATOM 0 HD3 LYS A 21 -19.758 28.826 -10.381 1.00 32.22 H new ATOM 0 HE2 LYS A 21 -22.524 29.092 -9.135 1.00 75.20 H new ATOM 0 HE3 LYS A 21 -21.088 29.978 -8.663 1.00 75.20 H new ATOM 0 HZ1 LYS A 21 -22.354 31.378 -10.061 1.00 53.12 H new ATOM 0 HZ2 LYS A 21 -21.027 30.871 -10.990 1.00 53.12 H new ATOM 0 HZ3 LYS A 21 -22.554 30.173 -11.240 1.00 53.12 H new ATOM 367 N LYS A 22 -24.095 25.288 -11.197 1.00 65.55 N ATOM 368 CA LYS A 22 -25.504 25.562 -10.943 1.00 61.52 C ATOM 369 C LYS A 22 -25.947 24.950 -9.618 1.00 24.41 C ATOM 370 O LYS A 22 -25.469 23.885 -9.225 1.00 62.11 O ATOM 371 CB LYS A 22 -26.365 25.013 -12.083 1.00 50.22 C ATOM 372 CG LYS A 22 -26.515 23.502 -12.060 1.00 23.12 C ATOM 373 CD LYS A 22 -27.897 23.086 -11.585 1.00 61.33 C ATOM 374 CE LYS A 22 -28.706 22.456 -12.709 1.00 24.31 C ATOM 375 NZ LYS A 22 -30.094 22.131 -12.278 1.00 62.15 N ATOM 0 H LYS A 22 -23.674 24.616 -10.556 1.00 65.55 H new ATOM 0 HA LYS A 22 -25.633 26.643 -10.886 1.00 61.52 H new ATOM 0 HB2 LYS A 22 -27.354 25.468 -12.032 1.00 50.22 H new ATOM 0 HB3 LYS A 22 -25.926 25.311 -13.035 1.00 50.22 H new ATOM 0 HG2 LYS A 22 -26.337 23.103 -13.058 1.00 23.12 H new ATOM 0 HG3 LYS A 22 -25.759 23.070 -11.404 1.00 23.12 H new ATOM 0 HD2 LYS A 22 -27.802 22.378 -10.762 1.00 61.33 H new ATOM 0 HD3 LYS A 22 -28.427 23.956 -11.197 1.00 61.33 H new ATOM 0 HE2 LYS A 22 -28.740 23.138 -13.559 1.00 24.31 H new ATOM 0 HE3 LYS A 22 -28.209 21.547 -13.049 1.00 24.31 H new ATOM 0 HZ1 LYS A 22 -30.613 21.704 -13.072 1.00 62.15 H new ATOM 0 HZ2 LYS A 22 -30.063 21.461 -11.484 1.00 62.15 H new ATOM 0 HZ3 LYS A 22 -30.577 23.002 -11.977 1.00 62.15 H new ATOM 389 N ILE A 23 -26.862 25.628 -8.935 1.00 11.23 N ATOM 390 CA ILE A 23 -27.370 25.149 -7.655 1.00 54.24 C ATOM 391 C ILE A 23 -28.828 24.715 -7.771 1.00 25.43 C ATOM 392 O ILE A 23 -29.586 25.255 -8.575 1.00 52.54 O ATOM 393 CB ILE A 23 -27.253 26.229 -6.563 1.00 73.32 C ATOM 394 CG1 ILE A 23 -28.441 27.191 -6.637 1.00 63.20 C ATOM 395 CG2 ILE A 23 -25.941 26.986 -6.705 1.00 74.15 C ATOM 396 CD1 ILE A 23 -29.583 26.813 -5.720 1.00 25.13 C ATOM 0 H ILE A 23 -27.267 26.511 -9.246 1.00 11.23 H new ATOM 0 HA ILE A 23 -26.759 24.292 -7.373 1.00 54.24 H new ATOM 0 HB ILE A 23 -27.265 25.742 -5.588 1.00 73.32 H new ATOM 0 HG12 ILE A 23 -28.101 28.195 -6.385 1.00 63.20 H new ATOM 0 HG13 ILE A 23 -28.806 27.226 -7.663 1.00 63.20 H new ATOM 0 HG21 ILE A 23 -25.873 27.746 -5.926 1.00 74.15 H new ATOM 0 HG22 ILE A 23 -25.107 26.291 -6.607 1.00 74.15 H new ATOM 0 HG23 ILE A 23 -25.901 27.465 -7.683 1.00 74.15 H new ATOM 0 HD11 ILE A 23 -30.390 27.539 -5.825 1.00 25.13 H new ATOM 0 HD12 ILE A 23 -29.950 25.822 -5.985 1.00 25.13 H new ATOM 0 HD13 ILE A 23 -29.234 26.806 -4.688 1.00 25.13 H new ATOM 408 N VAL A 24 -29.213 23.735 -6.959 1.00 72.13 N ATOM 409 CA VAL A 24 -30.581 23.229 -6.968 1.00 4.04 C ATOM 410 C VAL A 24 -31.092 23.004 -5.549 1.00 50.11 C ATOM 411 O VAL A 24 -30.479 22.280 -4.764 1.00 2.21 O ATOM 412 CB VAL A 24 -30.686 21.909 -7.755 1.00 11.41 C ATOM 413 CG1 VAL A 24 -31.989 21.857 -8.537 1.00 73.14 C ATOM 414 CG2 VAL A 24 -29.491 21.745 -8.682 1.00 11.52 C ATOM 0 H VAL A 24 -28.598 23.276 -6.287 1.00 72.13 H new ATOM 0 HA VAL A 24 -31.195 23.985 -7.457 1.00 4.04 H new ATOM 0 HB VAL A 24 -30.682 21.081 -7.046 1.00 11.41 H new ATOM 0 HG11 VAL A 24 -32.046 20.918 -9.087 1.00 73.14 H new ATOM 0 HG12 VAL A 24 -32.830 21.925 -7.847 1.00 73.14 H new ATOM 0 HG13 VAL A 24 -32.026 22.691 -9.238 1.00 73.14 H new ATOM 0 HG21 VAL A 24 -29.582 20.807 -9.230 1.00 11.52 H new ATOM 0 HG22 VAL A 24 -29.461 22.576 -9.387 1.00 11.52 H new ATOM 0 HG23 VAL A 24 -28.573 21.734 -8.094 1.00 11.52 H new ATOM 424 N HIS A 25 -32.220 23.629 -5.227 1.00 31.04 N ATOM 425 CA HIS A 25 -32.816 23.496 -3.902 1.00 3.23 C ATOM 426 C HIS A 25 -31.820 23.894 -2.816 1.00 70.22 C ATOM 427 O HIS A 25 -31.928 23.457 -1.671 1.00 43.01 O ATOM 428 CB HIS A 25 -33.290 22.061 -3.674 1.00 61.41 C ATOM 429 CG HIS A 25 -34.615 21.970 -2.982 1.00 52.13 C ATOM 430 ND1 HIS A 25 -35.806 22.303 -3.591 1.00 54.55 N ATOM 431 CD2 HIS A 25 -34.933 21.579 -1.726 1.00 12.30 C ATOM 432 CE1 HIS A 25 -36.800 22.123 -2.739 1.00 43.33 C ATOM 433 NE2 HIS A 25 -36.297 21.684 -1.600 1.00 24.21 N ATOM 0 H HIS A 25 -32.740 24.232 -5.865 1.00 31.04 H new ATOM 0 HA HIS A 25 -33.674 24.166 -3.848 1.00 3.23 H new ATOM 0 HB2 HIS A 25 -33.356 21.552 -4.636 1.00 61.41 H new ATOM 0 HB3 HIS A 25 -32.544 21.530 -3.083 1.00 61.41 H new ATOM 0 HD2 HIS A 25 -34.243 21.246 -0.965 1.00 12.30 H new ATOM 0 HE1 HIS A 25 -37.846 22.304 -2.940 1.00 43.33 H new ATOM 0 HE2 HIS A 25 -36.834 21.459 -0.762 1.00 24.21 H new ATOM 441 N GLY A 26 -30.850 24.725 -3.185 1.00 1.00 N ATOM 442 CA GLY A 26 -29.849 25.166 -2.232 1.00 1.55 C ATOM 443 C GLY A 26 -28.595 24.316 -2.272 1.00 22.10 C ATOM 444 O GLY A 26 -27.732 24.428 -1.402 1.00 53.51 O ATOM 0 H GLY A 26 -30.740 25.101 -4.127 1.00 1.00 H new ATOM 0 HA2 GLY A 26 -29.587 26.204 -2.439 1.00 1.55 H new ATOM 0 HA3 GLY A 26 -30.271 25.138 -1.227 1.00 1.55 H new ATOM 448 N ASN A 27 -28.494 23.461 -3.285 1.00 20.15 N ATOM 449 CA ASN A 27 -27.337 22.586 -3.434 1.00 21.25 C ATOM 450 C ASN A 27 -26.506 22.984 -4.650 1.00 13.54 C ATOM 451 O ASN A 27 -26.895 22.733 -5.791 1.00 2.31 O ATOM 452 CB ASN A 27 -27.786 21.129 -3.564 1.00 55.14 C ATOM 453 CG ASN A 27 -28.468 20.619 -2.309 1.00 41.41 C ATOM 454 OD1 ASN A 27 -28.974 21.401 -1.503 1.00 63.42 O ATOM 455 ND2 ASN A 27 -28.484 19.303 -2.138 1.00 23.41 N ATOM 0 H ASN A 27 -29.199 23.356 -4.014 1.00 20.15 H new ATOM 0 HA ASN A 27 -26.718 22.690 -2.543 1.00 21.25 H new ATOM 0 HB2 ASN A 27 -28.469 21.036 -4.408 1.00 55.14 H new ATOM 0 HB3 ASN A 27 -26.921 20.503 -3.784 1.00 55.14 H new ATOM 0 HD21 ASN A 27 -28.928 18.901 -1.312 1.00 23.41 H new ATOM 0 HD22 ASN A 27 -28.052 18.693 -2.832 1.00 23.41 H new ATOM 462 N THR A 28 -25.359 23.608 -4.398 1.00 32.55 N ATOM 463 CA THR A 28 -24.473 24.042 -5.470 1.00 74.34 C ATOM 464 C THR A 28 -23.825 22.849 -6.165 1.00 12.44 C ATOM 465 O THR A 28 -23.536 21.833 -5.533 1.00 52.11 O ATOM 466 CB THR A 28 -23.369 24.977 -4.943 1.00 40.12 C ATOM 467 OG1 THR A 28 -23.895 25.827 -3.917 1.00 62.53 O ATOM 468 CG2 THR A 28 -22.797 25.826 -6.068 1.00 3.50 C ATOM 0 H THR A 28 -25.022 23.824 -3.460 1.00 32.55 H new ATOM 0 HA THR A 28 -25.088 24.587 -6.187 1.00 74.34 H new ATOM 0 HB THR A 28 -22.569 24.362 -4.530 1.00 40.12 H new ATOM 0 HG1 THR A 28 -23.156 26.258 -3.439 1.00 62.53 H new ATOM 0 HG21 THR A 28 -22.019 26.479 -5.672 1.00 3.50 H new ATOM 0 HG22 THR A 28 -22.371 25.177 -6.833 1.00 3.50 H new ATOM 0 HG23 THR A 28 -23.590 26.432 -6.506 1.00 3.50 H new ATOM 476 N SER A 29 -23.599 22.981 -7.468 1.00 25.32 N ATOM 477 CA SER A 29 -22.987 21.912 -8.249 1.00 4.03 C ATOM 478 C SER A 29 -22.056 22.482 -9.315 1.00 12.53 C ATOM 479 O SER A 29 -22.441 23.364 -10.083 1.00 40.31 O ATOM 480 CB SER A 29 -24.066 21.050 -8.906 1.00 60.21 C ATOM 481 OG SER A 29 -25.069 20.689 -7.973 1.00 13.14 O ATOM 0 H SER A 29 -23.830 23.817 -8.005 1.00 25.32 H new ATOM 0 HA SER A 29 -22.399 21.292 -7.572 1.00 4.03 H new ATOM 0 HB2 SER A 29 -24.516 21.595 -9.736 1.00 60.21 H new ATOM 0 HB3 SER A 29 -23.613 20.151 -9.324 1.00 60.21 H new ATOM 0 HG SER A 29 -25.748 20.140 -8.418 1.00 13.14 H new ATOM 487 N TYR A 30 -20.830 21.973 -9.355 1.00 32.13 N ATOM 488 CA TYR A 30 -19.843 22.432 -10.324 1.00 42.32 C ATOM 489 C TYR A 30 -19.624 21.388 -11.415 1.00 44.50 C ATOM 490 O TYR A 30 -19.219 20.259 -11.138 1.00 21.43 O ATOM 491 CB TYR A 30 -18.518 22.743 -9.626 1.00 24.50 C ATOM 492 CG TYR A 30 -18.470 24.119 -9.002 1.00 22.23 C ATOM 493 CD1 TYR A 30 -19.477 24.552 -8.148 1.00 61.33 C ATOM 494 CD2 TYR A 30 -17.416 24.986 -9.265 1.00 34.02 C ATOM 495 CE1 TYR A 30 -19.437 25.809 -7.576 1.00 75.45 C ATOM 496 CE2 TYR A 30 -17.368 26.244 -8.696 1.00 41.23 C ATOM 497 CZ TYR A 30 -18.381 26.651 -7.853 1.00 60.03 C ATOM 498 OH TYR A 30 -18.337 27.903 -7.285 1.00 13.25 O ATOM 0 H TYR A 30 -20.496 21.242 -8.727 1.00 32.13 H new ATOM 0 HA TYR A 30 -20.223 23.342 -10.788 1.00 42.32 H new ATOM 0 HB2 TYR A 30 -18.341 21.996 -8.852 1.00 24.50 H new ATOM 0 HB3 TYR A 30 -17.707 22.652 -10.348 1.00 24.50 H new ATOM 0 HD1 TYR A 30 -20.305 23.895 -7.928 1.00 61.33 H new ATOM 0 HD2 TYR A 30 -16.621 24.671 -9.925 1.00 34.02 H new ATOM 0 HE1 TYR A 30 -20.229 26.130 -6.915 1.00 75.45 H new ATOM 0 HE2 TYR A 30 -16.541 26.905 -8.910 1.00 41.23 H new ATOM 0 HH TYR A 30 -17.527 28.369 -7.582 1.00 13.25 H new ATOM 508 N LEU A 31 -19.893 21.775 -12.657 1.00 52.01 N ATOM 509 CA LEU A 31 -19.725 20.874 -13.792 1.00 53.22 C ATOM 510 C LEU A 31 -18.361 21.070 -14.446 1.00 12.12 C ATOM 511 O LEU A 31 -18.122 22.073 -15.119 1.00 23.22 O ATOM 512 CB LEU A 31 -20.834 21.105 -14.820 1.00 52.43 C ATOM 513 CG LEU A 31 -20.893 20.110 -15.979 1.00 73.51 C ATOM 514 CD1 LEU A 31 -20.875 18.681 -15.457 1.00 44.31 C ATOM 515 CD2 LEU A 31 -22.132 20.353 -16.829 1.00 32.34 C ATOM 0 H LEU A 31 -20.228 22.706 -12.904 1.00 52.01 H new ATOM 0 HA LEU A 31 -19.787 19.850 -13.424 1.00 53.22 H new ATOM 0 HB2 LEU A 31 -21.792 21.085 -14.301 1.00 52.43 H new ATOM 0 HB3 LEU A 31 -20.716 22.107 -15.233 1.00 52.43 H new ATOM 0 HG LEU A 31 -20.013 20.258 -16.605 1.00 73.51 H new ATOM 0 HD11 LEU A 31 -20.918 17.987 -16.296 1.00 44.31 H new ATOM 0 HD12 LEU A 31 -19.958 18.512 -14.892 1.00 44.31 H new ATOM 0 HD13 LEU A 31 -21.736 18.520 -14.808 1.00 44.31 H new ATOM 0 HD21 LEU A 31 -22.157 19.635 -17.649 1.00 32.34 H new ATOM 0 HD22 LEU A 31 -23.024 20.233 -16.214 1.00 32.34 H new ATOM 0 HD23 LEU A 31 -22.103 21.365 -17.233 1.00 32.34 H new ATOM 527 N VAL A 32 -17.470 20.104 -14.245 1.00 11.41 N ATOM 528 CA VAL A 32 -16.131 20.169 -14.817 1.00 63.23 C ATOM 529 C VAL A 32 -15.900 19.030 -15.804 1.00 44.03 C ATOM 530 O VAL A 32 -16.365 17.909 -15.597 1.00 12.32 O ATOM 531 CB VAL A 32 -15.049 20.112 -13.722 1.00 70.03 C ATOM 532 CG1 VAL A 32 -14.978 18.720 -13.113 1.00 15.11 C ATOM 533 CG2 VAL A 32 -13.698 20.525 -14.287 1.00 31.04 C ATOM 0 H VAL A 32 -17.652 19.267 -13.690 1.00 11.41 H new ATOM 0 HA VAL A 32 -16.056 21.122 -15.341 1.00 63.23 H new ATOM 0 HB VAL A 32 -15.318 20.814 -12.933 1.00 70.03 H new ATOM 0 HG11 VAL A 32 -14.208 18.699 -12.342 1.00 15.11 H new ATOM 0 HG12 VAL A 32 -15.942 18.467 -12.671 1.00 15.11 H new ATOM 0 HG13 VAL A 32 -14.733 17.995 -13.889 1.00 15.11 H new ATOM 0 HG21 VAL A 32 -12.945 20.479 -13.500 1.00 31.04 H new ATOM 0 HG22 VAL A 32 -13.420 19.849 -15.095 1.00 31.04 H new ATOM 0 HG23 VAL A 32 -13.760 21.543 -14.671 1.00 31.04 H new ATOM 543 N LYS A 33 -15.177 19.324 -16.880 1.00 3.14 N ATOM 544 CA LYS A 33 -14.881 18.325 -17.900 1.00 3.32 C ATOM 545 C LYS A 33 -13.607 17.559 -17.557 1.00 73.44 C ATOM 546 O LYS A 33 -13.098 17.651 -16.441 1.00 22.34 O ATOM 547 CB LYS A 33 -14.734 18.993 -19.269 1.00 73.11 C ATOM 548 CG LYS A 33 -13.640 20.045 -19.319 1.00 21.02 C ATOM 549 CD LYS A 33 -13.593 20.737 -20.671 1.00 23.02 C ATOM 550 CE LYS A 33 -14.665 21.809 -20.786 1.00 14.22 C ATOM 551 NZ LYS A 33 -14.632 22.487 -22.112 1.00 34.25 N ATOM 0 H LYS A 33 -14.785 20.247 -17.068 1.00 3.14 H new ATOM 0 HA LYS A 33 -15.711 17.619 -17.934 1.00 3.32 H new ATOM 0 HB2 LYS A 33 -14.525 18.228 -20.017 1.00 73.11 H new ATOM 0 HB3 LYS A 33 -15.683 19.455 -19.542 1.00 73.11 H new ATOM 0 HG2 LYS A 33 -13.809 20.785 -18.536 1.00 21.02 H new ATOM 0 HG3 LYS A 33 -12.676 19.579 -19.114 1.00 21.02 H new ATOM 0 HD2 LYS A 33 -12.611 21.186 -20.817 1.00 23.02 H new ATOM 0 HD3 LYS A 33 -13.727 20.000 -21.463 1.00 23.02 H new ATOM 0 HE2 LYS A 33 -15.646 21.359 -20.632 1.00 14.22 H new ATOM 0 HE3 LYS A 33 -14.526 22.548 -19.997 1.00 14.22 H new ATOM 0 HZ1 LYS A 33 -15.399 23.187 -22.163 1.00 34.25 H new ATOM 0 HZ2 LYS A 33 -13.717 22.966 -22.234 1.00 34.25 H new ATOM 0 HZ3 LYS A 33 -14.756 21.781 -22.866 1.00 34.25 H new ATOM 565 N TRP A 34 -13.098 16.805 -18.525 1.00 34.51 N ATOM 566 CA TRP A 34 -11.883 16.023 -18.325 1.00 51.13 C ATOM 567 C TRP A 34 -10.904 16.237 -19.474 1.00 63.12 C ATOM 568 O TRP A 34 -10.939 15.520 -20.475 1.00 4.33 O ATOM 569 CB TRP A 34 -12.223 14.537 -18.198 1.00 43.21 C ATOM 570 CG TRP A 34 -13.572 14.286 -17.597 1.00 75.31 C ATOM 571 CD1 TRP A 34 -14.020 14.712 -16.379 1.00 65.30 C ATOM 572 CD2 TRP A 34 -14.649 13.549 -18.187 1.00 31.44 C ATOM 573 NE1 TRP A 34 -15.309 14.284 -16.176 1.00 33.23 N ATOM 574 CE2 TRP A 34 -15.719 13.569 -17.270 1.00 43.02 C ATOM 575 CE3 TRP A 34 -14.815 12.875 -19.400 1.00 5.32 C ATOM 576 CZ2 TRP A 34 -16.934 12.941 -17.531 1.00 23.14 C ATOM 577 CZ3 TRP A 34 -16.021 12.252 -19.657 1.00 1.23 C ATOM 578 CH2 TRP A 34 -17.068 12.289 -18.726 1.00 60.02 C ATOM 0 H TRP A 34 -13.507 16.719 -19.455 1.00 34.51 H new ATOM 0 HA TRP A 34 -11.411 16.360 -17.402 1.00 51.13 H new ATOM 0 HB2 TRP A 34 -12.182 14.076 -19.185 1.00 43.21 H new ATOM 0 HB3 TRP A 34 -11.464 14.049 -17.586 1.00 43.21 H new ATOM 0 HD1 TRP A 34 -13.445 15.299 -15.678 1.00 65.30 H new ATOM 0 HE1 TRP A 34 -15.870 14.469 -15.345 1.00 33.23 H new ATOM 0 HE3 TRP A 34 -14.014 12.842 -20.124 1.00 5.32 H new ATOM 0 HZ2 TRP A 34 -17.742 12.968 -16.815 1.00 23.14 H new ATOM 0 HZ3 TRP A 34 -16.159 11.728 -20.591 1.00 1.23 H new ATOM 0 HH2 TRP A 34 -17.999 11.793 -18.957 1.00 60.02 H new ATOM 754 N GLU A 45 -19.827 17.948 -9.769 1.00 3.34 N ATOM 755 CA GLU A 45 -19.282 17.811 -8.423 1.00 64.32 C ATOM 756 C GLU A 45 -19.687 18.993 -7.548 1.00 55.11 C ATOM 757 O GLU A 45 -19.456 20.150 -7.900 1.00 44.24 O ATOM 758 CB GLU A 45 -17.756 17.701 -8.476 1.00 34.23 C ATOM 759 CG GLU A 45 -17.260 16.357 -8.983 1.00 10.13 C ATOM 760 CD GLU A 45 -16.719 15.478 -7.872 1.00 34.12 C ATOM 761 OE1 GLU A 45 -17.279 15.522 -6.756 1.00 22.21 O ATOM 762 OE2 GLU A 45 -15.738 14.747 -8.118 1.00 24.34 O ATOM 0 HA GLU A 45 -19.691 16.901 -7.985 1.00 64.32 H new ATOM 0 HB2 GLU A 45 -17.365 18.489 -9.120 1.00 34.23 H new ATOM 0 HB3 GLU A 45 -17.353 17.875 -7.478 1.00 34.23 H new ATOM 0 HG2 GLU A 45 -18.076 15.839 -9.486 1.00 10.13 H new ATOM 0 HG3 GLU A 45 -16.479 16.519 -9.726 1.00 10.13 H new ATOM 769 N THR A 46 -20.296 18.694 -6.404 1.00 40.25 N ATOM 770 CA THR A 46 -20.736 19.731 -5.479 1.00 72.33 C ATOM 771 C THR A 46 -19.667 20.803 -5.305 1.00 64.15 C ATOM 772 O THR A 46 -18.475 20.532 -5.447 1.00 62.41 O ATOM 773 CB THR A 46 -21.085 19.141 -4.100 1.00 2.13 C ATOM 774 OG1 THR A 46 -20.416 17.888 -3.919 1.00 45.10 O ATOM 775 CG2 THR A 46 -22.587 18.944 -3.959 1.00 43.31 C ATOM 0 H THR A 46 -20.495 17.742 -6.096 1.00 40.25 H new ATOM 0 HA THR A 46 -21.630 20.181 -5.911 1.00 72.33 H new ATOM 0 HB THR A 46 -20.753 19.843 -3.335 1.00 2.13 H new ATOM 0 HG1 THR A 46 -20.762 17.445 -3.116 1.00 45.10 H new ATOM 0 HG21 THR A 46 -22.809 18.526 -2.977 1.00 43.31 H new ATOM 0 HG22 THR A 46 -23.092 19.904 -4.067 1.00 43.31 H new ATOM 0 HG23 THR A 46 -22.938 18.260 -4.732 1.00 43.31 H new ATOM 783 N GLU A 47 -20.101 22.021 -4.997 1.00 62.02 N ATOM 784 CA GLU A 47 -19.179 23.134 -4.804 1.00 65.13 C ATOM 785 C GLU A 47 -18.189 22.832 -3.683 1.00 2.03 C ATOM 786 O GLU A 47 -17.105 23.413 -3.624 1.00 63.41 O ATOM 787 CB GLU A 47 -19.951 24.416 -4.487 1.00 2.05 C ATOM 788 CG GLU A 47 -19.090 25.509 -3.876 1.00 52.41 C ATOM 789 CD GLU A 47 -19.863 26.791 -3.631 1.00 4.03 C ATOM 790 OE1 GLU A 47 -20.935 26.724 -2.994 1.00 60.00 O ATOM 791 OE2 GLU A 47 -19.395 27.860 -4.075 1.00 55.32 O ATOM 0 H GLU A 47 -21.085 22.262 -4.876 1.00 62.02 H new ATOM 0 HA GLU A 47 -18.621 23.275 -5.730 1.00 65.13 H new ATOM 0 HB2 GLU A 47 -20.405 24.793 -5.403 1.00 2.05 H new ATOM 0 HB3 GLU A 47 -20.765 24.180 -3.801 1.00 2.05 H new ATOM 0 HG2 GLU A 47 -18.674 25.154 -2.933 1.00 52.41 H new ATOM 0 HG3 GLU A 47 -18.249 25.717 -4.538 1.00 52.41 H new ATOM 798 N ASP A 48 -18.570 21.921 -2.795 1.00 33.24 N ATOM 799 CA ASP A 48 -17.717 21.541 -1.675 1.00 32.35 C ATOM 800 C ASP A 48 -16.930 20.274 -1.997 1.00 2.45 C ATOM 801 O ASP A 48 -16.147 19.793 -1.177 1.00 41.12 O ATOM 802 CB ASP A 48 -18.558 21.327 -0.415 1.00 31.20 C ATOM 803 CG ASP A 48 -18.219 22.316 0.683 1.00 63.04 C ATOM 804 OD1 ASP A 48 -17.167 22.142 1.334 1.00 13.31 O ATOM 805 OD2 ASP A 48 -19.004 23.264 0.889 1.00 10.45 O ATOM 0 H ASP A 48 -19.464 21.432 -2.829 1.00 33.24 H new ATOM 0 HA ASP A 48 -17.010 22.351 -1.497 1.00 32.35 H new ATOM 0 HB2 ASP A 48 -19.615 21.417 -0.667 1.00 31.20 H new ATOM 0 HB3 ASP A 48 -18.404 20.313 -0.047 1.00 31.20 H new ATOM 810 N ASP A 49 -17.143 19.739 -3.194 1.00 14.55 N ATOM 811 CA ASP A 49 -16.454 18.529 -3.624 1.00 62.11 C ATOM 812 C ASP A 49 -15.648 18.785 -4.894 1.00 3.03 C ATOM 813 O ASP A 49 -14.878 17.931 -5.334 1.00 43.14 O ATOM 814 CB ASP A 49 -17.459 17.401 -3.862 1.00 60.03 C ATOM 815 CG ASP A 49 -18.142 16.955 -2.584 1.00 61.34 C ATOM 816 OD1 ASP A 49 -18.654 17.825 -1.849 1.00 43.45 O ATOM 817 OD2 ASP A 49 -18.165 15.735 -2.320 1.00 33.33 O ATOM 0 H ASP A 49 -17.788 20.125 -3.884 1.00 14.55 H new ATOM 0 HA ASP A 49 -15.767 18.231 -2.832 1.00 62.11 H new ATOM 0 HB2 ASP A 49 -18.212 17.734 -4.576 1.00 60.03 H new ATOM 0 HB3 ASP A 49 -16.947 16.551 -4.313 1.00 60.03 H new ATOM 822 N ILE A 50 -15.831 19.965 -5.477 1.00 31.31 N ATOM 823 CA ILE A 50 -15.121 20.333 -6.695 1.00 61.45 C ATOM 824 C ILE A 50 -13.896 21.185 -6.382 1.00 20.11 C ATOM 825 O ILE A 50 -12.878 21.104 -7.070 1.00 32.13 O ATOM 826 CB ILE A 50 -16.033 21.103 -7.668 1.00 13.21 C ATOM 827 CG1 ILE A 50 -15.295 21.387 -8.978 1.00 0.13 C ATOM 828 CG2 ILE A 50 -16.511 22.400 -7.031 1.00 71.41 C ATOM 829 CD1 ILE A 50 -15.804 20.573 -10.147 1.00 24.13 C ATOM 0 H ILE A 50 -16.465 20.682 -5.125 1.00 31.31 H new ATOM 0 HA ILE A 50 -14.803 19.403 -7.167 1.00 61.45 H new ATOM 0 HB ILE A 50 -16.904 20.487 -7.891 1.00 13.21 H new ATOM 0 HG12 ILE A 50 -15.388 22.447 -9.216 1.00 0.13 H new ATOM 0 HG13 ILE A 50 -14.233 21.184 -8.839 1.00 0.13 H new ATOM 0 HG21 ILE A 50 -17.155 22.933 -7.731 1.00 71.41 H new ATOM 0 HG22 ILE A 50 -17.070 22.175 -6.123 1.00 71.41 H new ATOM 0 HG23 ILE A 50 -15.651 23.022 -6.783 1.00 71.41 H new ATOM 0 HD11 ILE A 50 -15.235 20.826 -11.042 1.00 24.13 H new ATOM 0 HD12 ILE A 50 -15.686 19.511 -9.930 1.00 24.13 H new ATOM 0 HD13 ILE A 50 -16.858 20.794 -10.313 1.00 24.13 H new ATOM 841 N ARG A 51 -14.001 22.001 -5.338 1.00 30.41 N ATOM 842 CA ARG A 51 -12.902 22.868 -4.932 1.00 65.22 C ATOM 843 C ARG A 51 -11.854 22.086 -4.145 1.00 33.32 C ATOM 844 O ARG A 51 -10.719 22.535 -3.982 1.00 54.43 O ATOM 845 CB ARG A 51 -13.426 24.031 -4.088 1.00 40.03 C ATOM 846 CG ARG A 51 -13.363 23.774 -2.592 1.00 12.45 C ATOM 847 CD ARG A 51 -14.372 22.720 -2.164 1.00 71.13 C ATOM 848 NE ARG A 51 -14.130 22.251 -0.803 1.00 21.53 N ATOM 849 CZ ARG A 51 -14.349 22.989 0.279 1.00 14.22 C ATOM 850 NH1 ARG A 51 -14.814 24.225 0.159 1.00 0.21 N ATOM 851 NH2 ARG A 51 -14.105 22.492 1.485 1.00 63.43 N ATOM 0 H ARG A 51 -14.836 22.080 -4.758 1.00 30.41 H new ATOM 0 HA ARG A 51 -12.434 23.264 -5.833 1.00 65.22 H new ATOM 0 HB2 ARG A 51 -12.848 24.926 -4.319 1.00 40.03 H new ATOM 0 HB3 ARG A 51 -14.459 24.237 -4.370 1.00 40.03 H new ATOM 0 HG2 ARG A 51 -12.359 23.449 -2.320 1.00 12.45 H new ATOM 0 HG3 ARG A 51 -13.555 24.702 -2.054 1.00 12.45 H new ATOM 0 HD2 ARG A 51 -15.378 23.133 -2.231 1.00 71.13 H new ATOM 0 HD3 ARG A 51 -14.328 21.875 -2.852 1.00 71.13 H new ATOM 0 HE ARG A 51 -13.773 21.304 -0.676 1.00 21.53 H new ATOM 0 HH11 ARG A 51 -15.004 24.611 -0.766 1.00 0.21 H new ATOM 0 HH12 ARG A 51 -14.981 24.790 0.992 1.00 0.21 H new ATOM 0 HH21 ARG A 51 -13.748 21.541 1.582 1.00 63.43 H new ATOM 0 HH22 ARG A 51 -14.274 23.061 2.315 1.00 63.43 H new ATOM 865 N THR A 52 -12.243 20.912 -3.657 1.00 31.24 N ATOM 866 CA THR A 52 -11.340 20.068 -2.885 1.00 24.10 C ATOM 867 C THR A 52 -10.534 19.149 -3.796 1.00 22.55 C ATOM 868 O THR A 52 -9.394 18.797 -3.489 1.00 51.24 O ATOM 869 CB THR A 52 -12.108 19.212 -1.860 1.00 41.13 C ATOM 870 OG1 THR A 52 -11.189 18.434 -1.085 1.00 12.11 O ATOM 871 CG2 THR A 52 -13.097 18.291 -2.558 1.00 53.00 C ATOM 0 H THR A 52 -13.178 20.524 -3.783 1.00 31.24 H new ATOM 0 HA THR A 52 -10.661 20.735 -2.353 1.00 24.10 H new ATOM 0 HB THR A 52 -12.661 19.882 -1.202 1.00 41.13 H new ATOM 0 HG1 THR A 52 -11.685 17.894 -0.435 1.00 12.11 H new ATOM 0 HG21 THR A 52 -13.628 17.696 -1.814 1.00 53.00 H new ATOM 0 HG22 THR A 52 -13.813 18.887 -3.124 1.00 53.00 H new ATOM 0 HG23 THR A 52 -12.560 17.628 -3.237 1.00 53.00 H new ATOM 879 N LYS A 53 -11.132 18.762 -4.917 1.00 70.21 N ATOM 880 CA LYS A 53 -10.470 17.884 -5.875 1.00 3.22 C ATOM 881 C LYS A 53 -9.954 18.676 -7.072 1.00 42.11 C ATOM 882 O LYS A 53 -8.920 18.342 -7.651 1.00 24.14 O ATOM 883 CB LYS A 53 -11.432 16.793 -6.348 1.00 74.13 C ATOM 884 CG LYS A 53 -12.238 16.163 -5.225 1.00 24.01 C ATOM 885 CD LYS A 53 -11.336 15.621 -4.129 1.00 20.24 C ATOM 886 CE LYS A 53 -12.122 14.807 -3.112 1.00 11.42 C ATOM 887 NZ LYS A 53 -12.040 13.346 -3.387 1.00 43.32 N ATOM 0 H LYS A 53 -12.075 19.043 -5.185 1.00 70.21 H new ATOM 0 HA LYS A 53 -9.620 17.418 -5.376 1.00 3.22 H new ATOM 0 HB2 LYS A 53 -12.117 17.218 -7.081 1.00 74.13 H new ATOM 0 HB3 LYS A 53 -10.863 16.015 -6.857 1.00 74.13 H new ATOM 0 HG2 LYS A 53 -12.919 16.903 -4.805 1.00 24.01 H new ATOM 0 HG3 LYS A 53 -12.852 15.356 -5.625 1.00 24.01 H new ATOM 0 HD2 LYS A 53 -10.558 14.999 -4.571 1.00 20.24 H new ATOM 0 HD3 LYS A 53 -10.835 16.448 -3.626 1.00 20.24 H new ATOM 0 HE2 LYS A 53 -11.740 15.010 -2.111 1.00 11.42 H new ATOM 0 HE3 LYS A 53 -13.166 15.121 -3.125 1.00 11.42 H new ATOM 0 HZ1 LYS A 53 -12.588 12.827 -2.672 1.00 43.32 H new ATOM 0 HZ2 LYS A 53 -12.428 13.148 -4.332 1.00 43.32 H new ATOM 0 HZ3 LYS A 53 -11.046 13.041 -3.350 1.00 43.32 H new ATOM 901 N TYR A 54 -10.680 19.727 -7.438 1.00 24.15 N ATOM 902 CA TYR A 54 -10.295 20.566 -8.567 1.00 35.25 C ATOM 903 C TYR A 54 -10.213 22.032 -8.153 1.00 22.14 C ATOM 904 O TYR A 54 -10.478 22.930 -8.950 1.00 74.04 O ATOM 905 CB TYR A 54 -11.295 20.403 -9.713 1.00 11.51 C ATOM 906 CG TYR A 54 -11.729 18.973 -9.940 1.00 14.14 C ATOM 907 CD1 TYR A 54 -10.840 18.025 -10.430 1.00 4.33 C ATOM 908 CD2 TYR A 54 -13.030 18.569 -9.663 1.00 2.25 C ATOM 909 CE1 TYR A 54 -11.233 16.718 -10.639 1.00 24.40 C ATOM 910 CE2 TYR A 54 -13.431 17.263 -9.867 1.00 51.24 C ATOM 911 CZ TYR A 54 -12.529 16.341 -10.356 1.00 51.42 C ATOM 912 OH TYR A 54 -12.924 15.039 -10.562 1.00 0.31 O ATOM 0 H TYR A 54 -11.538 20.018 -6.969 1.00 24.15 H new ATOM 0 HA TYR A 54 -9.309 20.247 -8.905 1.00 35.25 H new ATOM 0 HB2 TYR A 54 -12.175 21.012 -9.505 1.00 11.51 H new ATOM 0 HB3 TYR A 54 -10.850 20.788 -10.630 1.00 11.51 H new ATOM 0 HD1 TYR A 54 -9.824 18.315 -10.651 1.00 4.33 H new ATOM 0 HD2 TYR A 54 -13.739 19.289 -9.282 1.00 2.25 H new ATOM 0 HE1 TYR A 54 -10.529 15.994 -11.022 1.00 24.40 H new ATOM 0 HE2 TYR A 54 -14.445 16.965 -9.645 1.00 51.24 H new ATOM 0 HH TYR A 54 -13.866 14.940 -10.312 1.00 0.31 H new ATOM 922 N GLY A 55 -9.841 22.266 -6.897 1.00 74.25 N ATOM 923 CA GLY A 55 -9.729 23.624 -6.398 1.00 32.31 C ATOM 924 C GLY A 55 -8.865 24.498 -7.284 1.00 42.14 C ATOM 925 O GLY A 55 -8.969 25.724 -7.249 1.00 50.35 O ATOM 0 H GLY A 55 -9.616 21.540 -6.217 1.00 74.25 H new ATOM 0 HA2 GLY A 55 -10.724 24.062 -6.320 1.00 32.31 H new ATOM 0 HA3 GLY A 55 -9.310 23.605 -5.392 1.00 32.31 H new ATOM 929 N ASP A 56 -8.008 23.867 -8.080 1.00 1.33 N ATOM 930 CA ASP A 56 -7.121 24.596 -8.979 1.00 61.01 C ATOM 931 C ASP A 56 -7.921 25.454 -9.954 1.00 70.23 C ATOM 932 O ASP A 56 -7.690 26.658 -10.073 1.00 20.05 O ATOM 933 CB ASP A 56 -6.229 23.622 -9.750 1.00 73.35 C ATOM 934 CG ASP A 56 -4.757 23.959 -9.623 1.00 2.40 C ATOM 935 OD1 ASP A 56 -4.427 25.162 -9.558 1.00 11.44 O ATOM 936 OD2 ASP A 56 -3.934 23.021 -9.588 1.00 32.24 O ATOM 0 H ASP A 56 -7.909 22.853 -8.121 1.00 1.33 H new ATOM 0 HA ASP A 56 -6.493 25.252 -8.377 1.00 61.01 H new ATOM 0 HB2 ASP A 56 -6.400 22.610 -9.383 1.00 73.35 H new ATOM 0 HB3 ASP A 56 -6.511 23.631 -10.803 1.00 73.35 H new ATOM 941 N LEU A 57 -8.862 24.826 -10.652 1.00 5.52 N ATOM 942 CA LEU A 57 -9.696 25.532 -11.618 1.00 60.13 C ATOM 943 C LEU A 57 -10.881 26.201 -10.929 1.00 61.21 C ATOM 944 O LEU A 57 -11.322 27.276 -11.334 1.00 53.23 O ATOM 945 CB LEU A 57 -10.196 24.564 -12.692 1.00 41.24 C ATOM 946 CG LEU A 57 -10.326 23.101 -12.269 1.00 73.30 C ATOM 947 CD1 LEU A 57 -11.447 22.420 -13.039 1.00 53.21 C ATOM 948 CD2 LEU A 57 -9.010 22.366 -12.478 1.00 74.31 C ATOM 0 H LEU A 57 -9.066 23.830 -10.567 1.00 5.52 H new ATOM 0 HA LEU A 57 -9.089 26.306 -12.088 1.00 60.13 H new ATOM 0 HB2 LEU A 57 -11.170 24.909 -13.039 1.00 41.24 H new ATOM 0 HB3 LEU A 57 -9.518 24.616 -13.544 1.00 41.24 H new ATOM 0 HG LEU A 57 -10.571 23.071 -11.207 1.00 73.30 H new ATOM 0 HD11 LEU A 57 -11.524 21.379 -12.724 1.00 53.21 H new ATOM 0 HD12 LEU A 57 -12.389 22.931 -12.838 1.00 53.21 H new ATOM 0 HD13 LEU A 57 -11.232 22.461 -14.107 1.00 53.21 H new ATOM 0 HD21 LEU A 57 -9.121 21.326 -12.171 1.00 74.31 H new ATOM 0 HD22 LEU A 57 -8.734 22.406 -13.532 1.00 74.31 H new ATOM 0 HD23 LEU A 57 -8.230 22.839 -11.881 1.00 74.31 H new ATOM 960 N VAL A 58 -11.391 25.558 -9.883 1.00 62.23 N ATOM 961 CA VAL A 58 -12.522 26.092 -9.135 1.00 34.20 C ATOM 962 C VAL A 58 -12.273 27.537 -8.719 1.00 55.21 C ATOM 963 O VAL A 58 -13.140 28.397 -8.877 1.00 10.42 O ATOM 964 CB VAL A 58 -12.811 25.250 -7.878 1.00 15.01 C ATOM 965 CG1 VAL A 58 -13.945 25.866 -7.072 1.00 30.32 C ATOM 966 CG2 VAL A 58 -13.138 23.815 -8.262 1.00 23.42 C ATOM 0 H VAL A 58 -11.038 24.666 -9.535 1.00 62.23 H new ATOM 0 HA VAL A 58 -13.387 26.052 -9.797 1.00 34.20 H new ATOM 0 HB VAL A 58 -11.917 25.241 -7.255 1.00 15.01 H new ATOM 0 HG11 VAL A 58 -14.135 25.258 -6.188 1.00 30.32 H new ATOM 0 HG12 VAL A 58 -13.668 26.875 -6.766 1.00 30.32 H new ATOM 0 HG13 VAL A 58 -14.846 25.908 -7.684 1.00 30.32 H new ATOM 0 HG21 VAL A 58 -13.339 23.234 -7.362 1.00 23.42 H new ATOM 0 HG22 VAL A 58 -14.017 23.802 -8.906 1.00 23.42 H new ATOM 0 HG23 VAL A 58 -12.292 23.379 -8.793 1.00 23.42 H new ATOM 976 N ASP A 59 -11.084 27.798 -8.188 1.00 31.42 N ATOM 977 CA ASP A 59 -10.719 29.140 -7.750 1.00 54.02 C ATOM 978 C ASP A 59 -10.266 29.992 -8.931 1.00 45.04 C ATOM 979 O ASP A 59 -9.715 31.078 -8.751 1.00 12.43 O ATOM 980 CB ASP A 59 -9.611 29.073 -6.698 1.00 54.20 C ATOM 981 CG ASP A 59 -10.138 28.706 -5.325 1.00 15.02 C ATOM 982 OD1 ASP A 59 -10.691 29.595 -4.644 1.00 14.32 O ATOM 983 OD2 ASP A 59 -9.999 27.529 -4.931 1.00 41.33 O ATOM 0 H ASP A 59 -10.356 27.097 -8.050 1.00 31.42 H new ATOM 0 HA ASP A 59 -11.601 29.604 -7.308 1.00 54.02 H new ATOM 0 HB2 ASP A 59 -8.866 28.340 -7.006 1.00 54.20 H new ATOM 0 HB3 ASP A 59 -9.106 30.038 -6.644 1.00 54.20 H new ATOM 988 N ASP A 60 -10.499 29.491 -10.140 1.00 10.45 N ATOM 989 CA ASP A 60 -10.114 30.206 -11.351 1.00 12.51 C ATOM 990 C ASP A 60 -11.316 30.405 -12.269 1.00 42.15 C ATOM 991 O ASP A 60 -11.219 31.072 -13.300 1.00 13.54 O ATOM 992 CB ASP A 60 -9.012 29.446 -12.090 1.00 31.55 C ATOM 993 CG ASP A 60 -7.718 30.231 -12.166 1.00 24.22 C ATOM 994 OD1 ASP A 60 -7.066 30.404 -11.115 1.00 33.34 O ATOM 995 OD2 ASP A 60 -7.356 30.673 -13.277 1.00 11.35 O ATOM 0 H ASP A 60 -10.953 28.593 -10.307 1.00 10.45 H new ATOM 0 HA ASP A 60 -9.735 31.186 -11.060 1.00 12.51 H new ATOM 0 HB2 ASP A 60 -8.829 28.497 -11.586 1.00 31.55 H new ATOM 0 HB3 ASP A 60 -9.351 29.211 -13.099 1.00 31.55 H new ATOM 1000 N PHE A 61 -12.447 29.820 -11.890 1.00 53.50 N ATOM 1001 CA PHE A 61 -13.668 29.931 -12.681 1.00 4.44 C ATOM 1002 C PHE A 61 -14.792 30.557 -11.861 1.00 1.44 C ATOM 1003 O PHE A 61 -15.538 31.402 -12.355 1.00 61.10 O ATOM 1004 CB PHE A 61 -14.098 28.554 -13.189 1.00 71.10 C ATOM 1005 CG PHE A 61 -15.500 28.525 -13.726 1.00 74.51 C ATOM 1006 CD1 PHE A 61 -16.578 28.332 -12.876 1.00 41.24 C ATOM 1007 CD2 PHE A 61 -15.741 28.690 -15.081 1.00 33.25 C ATOM 1008 CE1 PHE A 61 -17.869 28.304 -13.368 1.00 72.03 C ATOM 1009 CE2 PHE A 61 -17.031 28.663 -15.578 1.00 64.11 C ATOM 1010 CZ PHE A 61 -18.096 28.471 -14.721 1.00 21.35 C ATOM 0 H PHE A 61 -12.544 29.264 -11.040 1.00 53.50 H new ATOM 0 HA PHE A 61 -13.461 30.577 -13.534 1.00 4.44 H new ATOM 0 HB2 PHE A 61 -13.411 28.233 -13.972 1.00 71.10 H new ATOM 0 HB3 PHE A 61 -14.014 27.833 -12.376 1.00 71.10 H new ATOM 0 HD1 PHE A 61 -16.407 28.202 -11.818 1.00 41.24 H new ATOM 0 HD2 PHE A 61 -14.912 28.841 -15.756 1.00 33.25 H new ATOM 0 HE1 PHE A 61 -18.700 28.152 -12.696 1.00 72.03 H new ATOM 0 HE2 PHE A 61 -17.205 28.792 -16.636 1.00 64.11 H new ATOM 0 HZ PHE A 61 -19.104 28.451 -15.107 1.00 21.35 H new