USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 292 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 19 THR OG1 : rot 180:sc= 0.00566 USER MOD Single : A 27 MET CE :methyl -116:sc= -0.889 (180deg=-2.11!) USER MOD Single : A 29 ASN : amide:sc= 1.17 K(o=1.2,f=0) USER MOD Single : A 30 ASN : amide:sc= -0.111 X(o=-0.11,f=-0.0029) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.631 -6.095 -3.518 1.00 0.00 N ATOM 224 CA LEU A 17 9.493 -7.333 -4.277 1.00 0.00 C ATOM 225 C LEU A 17 8.065 -7.500 -4.789 1.00 0.00 C ATOM 226 O LEU A 17 7.152 -7.807 -4.023 1.00 0.00 O ATOM 227 CB LEU A 17 9.880 -8.532 -3.410 1.00 0.00 C ATOM 228 CG LEU A 17 10.383 -9.767 -4.158 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.165 -10.676 -3.224 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.220 -10.520 -4.788 1.00 0.00 C ATOM 0 HA LEU A 17 10.164 -7.282 -5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.654 -8.215 -2.711 1.00 0.00 H new ATOM 0 HB3 LEU A 17 9.013 -8.820 -2.816 1.00 0.00 H new ATOM 0 HG LEU A 17 11.051 -9.438 -4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.515 -11.549 -3.775 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.021 -10.134 -2.821 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.521 -10.997 -2.405 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.597 -11.396 -5.316 1.00 0.00 H new ATOM 0 HD22 LEU A 17 8.527 -10.837 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.702 -9.867 -5.491 1.00 0.00 H new ATOM 242 N ALA A 18 7.881 -7.301 -6.090 1.00 0.00 N ATOM 243 CA ALA A 18 6.566 -7.434 -6.704 1.00 0.00 C ATOM 244 C ALA A 18 6.663 -7.378 -8.225 1.00 0.00 C ATOM 245 O ALA A 18 7.492 -6.654 -8.780 1.00 0.00 O ATOM 246 CB ALA A 18 5.632 -6.347 -6.193 1.00 0.00 C ATOM 0 H ALA A 18 8.626 -7.047 -6.739 1.00 0.00 H new ATOM 0 HA ALA A 18 6.160 -8.407 -6.427 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.654 -6.459 -6.660 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.530 -6.434 -5.111 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.043 -5.368 -6.441 1.00 0.00 H new ATOM 252 N THR A 19 5.812 -8.147 -8.898 1.00 0.00 N ATOM 253 CA THR A 19 5.803 -8.186 -10.354 1.00 0.00 C ATOM 254 C THR A 19 5.607 -6.792 -10.940 1.00 0.00 C ATOM 255 O THR A 19 5.136 -5.872 -10.272 1.00 0.00 O ATOM 256 CB THR A 19 4.695 -9.114 -10.884 1.00 0.00 C ATOM 257 OG1 THR A 19 3.593 -9.135 -9.969 1.00 0.00 O ATOM 258 CG2 THR A 19 5.221 -10.527 -11.084 1.00 0.00 C ATOM 0 H THR A 19 5.119 -8.752 -8.456 1.00 0.00 H new ATOM 0 HA THR A 19 6.772 -8.575 -10.666 1.00 0.00 H new ATOM 0 HB THR A 19 4.360 -8.729 -11.847 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.892 -9.726 -10.315 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.420 -11.164 -11.459 1.00 0.00 H new ATOM 0 HG22 THR A 19 6.040 -10.512 -11.804 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.581 -10.919 -10.133 1.00 0.00 H new ATOM 266 N PRO A 20 5.975 -6.630 -12.220 1.00 0.00 N ATOM 267 CA PRO A 20 5.847 -5.351 -12.925 1.00 0.00 C ATOM 268 C PRO A 20 4.393 -4.981 -13.195 1.00 0.00 C ATOM 269 O PRO A 20 4.001 -3.824 -13.050 1.00 0.00 O ATOM 270 CB PRO A 20 6.590 -5.597 -14.241 1.00 0.00 C ATOM 271 CG PRO A 20 6.514 -7.070 -14.450 1.00 0.00 C ATOM 272 CD PRO A 20 6.544 -7.684 -13.077 1.00 0.00 C ATOM 0 HA PRO A 20 6.247 -4.522 -12.342 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.125 -5.056 -15.065 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.624 -5.259 -14.181 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.601 -7.343 -14.980 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.350 -7.422 -15.054 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.954 -8.600 -13.033 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.559 -7.944 -12.775 1.00 0.00 H new ATOM 280 N ALA A 21 3.597 -5.971 -13.585 1.00 0.00 N ATOM 281 CA ALA A 21 2.186 -5.748 -13.872 1.00 0.00 C ATOM 282 C ALA A 21 1.442 -5.268 -12.630 1.00 0.00 C ATOM 283 O ALA A 21 0.411 -4.604 -12.730 1.00 0.00 O ATOM 284 CB ALA A 21 1.549 -7.021 -14.411 1.00 0.00 C ATOM 0 H ALA A 21 3.906 -6.935 -13.709 1.00 0.00 H new ATOM 0 HA ALA A 21 2.114 -4.969 -14.631 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.495 -6.840 -14.621 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.055 -7.321 -15.328 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.640 -7.815 -13.670 1.00 0.00 H new ATOM 290 N VAL A 22 1.972 -5.610 -11.460 1.00 0.00 N ATOM 291 CA VAL A 22 1.359 -5.213 -10.198 1.00 0.00 C ATOM 292 C VAL A 22 1.891 -3.864 -9.729 1.00 0.00 C ATOM 293 O VAL A 22 1.166 -3.077 -9.119 1.00 0.00 O ATOM 294 CB VAL A 22 1.608 -6.261 -9.098 1.00 0.00 C ATOM 295 CG1 VAL A 22 1.074 -5.771 -7.761 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.976 -7.592 -9.478 1.00 0.00 C ATOM 0 H VAL A 22 2.824 -6.161 -11.360 1.00 0.00 H new ATOM 0 HA VAL A 22 0.287 -5.135 -10.378 1.00 0.00 H new ATOM 0 HB VAL A 22 2.683 -6.410 -8.999 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.259 -6.526 -6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.577 -4.844 -7.486 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.002 -5.592 -7.841 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.162 -8.321 -8.689 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.099 -7.461 -9.606 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.412 -7.948 -10.411 1.00 0.00 H new ATOM 306 N ARG A 23 3.162 -3.602 -10.016 1.00 0.00 N ATOM 307 CA ARG A 23 3.792 -2.348 -9.623 1.00 0.00 C ATOM 308 C ARG A 23 3.093 -1.160 -10.277 1.00 0.00 C ATOM 309 O ARG A 23 3.189 -0.030 -9.796 1.00 0.00 O ATOM 310 CB ARG A 23 5.274 -2.355 -10.005 1.00 0.00 C ATOM 311 CG ARG A 23 6.143 -3.162 -9.056 1.00 0.00 C ATOM 312 CD ARG A 23 7.504 -3.463 -9.665 1.00 0.00 C ATOM 313 NE ARG A 23 8.476 -2.411 -9.381 1.00 0.00 N ATOM 314 CZ ARG A 23 9.154 -2.324 -8.243 1.00 0.00 C ATOM 315 NH1 ARG A 23 8.967 -3.223 -7.287 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.022 -1.337 -8.059 1.00 0.00 N ATOM 0 H ARG A 23 3.776 -4.242 -10.520 1.00 0.00 H new ATOM 0 HA ARG A 23 3.703 -2.249 -8.541 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.379 -2.758 -11.012 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.638 -1.328 -10.033 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.274 -2.612 -8.124 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.640 -4.096 -8.806 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.873 -4.412 -9.276 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.401 -3.579 -10.744 1.00 0.00 H new ATOM 0 HE ARG A 23 8.643 -1.704 -10.097 1.00 0.00 H new ATOM 0 HH11 ARG A 23 8.301 -3.983 -7.425 1.00 0.00 H new ATOM 0 HH12 ARG A 23 9.489 -3.154 -6.413 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.169 -0.644 -8.793 1.00 0.00 H new ATOM 0 HH22 ARG A 23 10.542 -1.272 -7.184 1.00 0.00 H new ATOM 330 N ARG A 24 2.391 -1.424 -11.374 1.00 0.00 N ATOM 331 CA ARG A 24 1.677 -0.376 -12.094 1.00 0.00 C ATOM 332 C ARG A 24 0.265 -0.203 -11.545 1.00 0.00 C ATOM 333 O ARG A 24 -0.325 0.874 -11.645 1.00 0.00 O ATOM 334 CB ARG A 24 1.619 -0.703 -13.587 1.00 0.00 C ATOM 335 CG ARG A 24 0.463 -0.034 -14.312 1.00 0.00 C ATOM 336 CD ARG A 24 0.770 0.164 -15.789 1.00 0.00 C ATOM 337 NE ARG A 24 -0.400 0.616 -16.536 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.793 1.883 -16.590 1.00 0.00 C ATOM 339 NH1 ARG A 24 -0.113 2.819 -15.944 1.00 0.00 N ATOM 340 NH2 ARG A 24 -1.870 2.216 -17.291 1.00 0.00 N ATOM 0 H ARG A 24 2.301 -2.354 -11.784 1.00 0.00 H new ATOM 0 HA ARG A 24 2.219 0.559 -11.954 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.555 -0.397 -14.054 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.538 -1.783 -13.711 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.436 -0.642 -14.204 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.252 0.931 -13.851 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.573 0.893 -15.898 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.131 -0.773 -16.213 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.946 -0.080 -17.044 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.715 2.567 -15.404 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.417 3.792 -15.987 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.397 1.498 -17.789 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.171 3.190 -17.332 1.00 0.00 H new ATOM 354 N LEU A 25 -0.272 -1.270 -10.963 1.00 0.00 N ATOM 355 CA LEU A 25 -1.617 -1.238 -10.397 1.00 0.00 C ATOM 356 C LEU A 25 -1.693 -0.256 -9.233 1.00 0.00 C ATOM 357 O LEU A 25 -2.774 0.212 -8.872 1.00 0.00 O ATOM 358 CB LEU A 25 -2.029 -2.635 -9.930 1.00 0.00 C ATOM 359 CG LEU A 25 -3.530 -2.917 -9.899 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.161 -2.598 -11.245 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.794 -4.365 -9.514 1.00 0.00 C ATOM 0 H LEU A 25 0.203 -2.168 -10.871 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.305 -0.905 -11.175 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.555 -3.369 -10.582 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.629 -2.794 -8.929 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.985 -2.274 -9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.230 -2.805 -11.204 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.004 -1.545 -11.480 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.702 -3.215 -12.018 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.869 -4.547 -9.497 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.325 -5.026 -10.243 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.377 -4.561 -8.526 1.00 0.00 H new ATOM 373 N ALA A 26 -0.540 0.054 -8.649 1.00 0.00 N ATOM 374 CA ALA A 26 -0.477 0.984 -7.529 1.00 0.00 C ATOM 375 C ALA A 26 -0.283 2.416 -8.014 1.00 0.00 C ATOM 376 O ALA A 26 -1.018 3.320 -7.616 1.00 0.00 O ATOM 377 CB ALA A 26 0.646 0.591 -6.580 1.00 0.00 C ATOM 0 H ALA A 26 0.363 -0.326 -8.933 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.426 0.934 -6.994 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.682 1.294 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.465 -0.414 -6.198 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.597 0.611 -7.113 1.00 0.00 H new ATOM 383 N MET A 27 0.709 2.616 -8.874 1.00 0.00 N ATOM 384 CA MET A 27 0.998 3.940 -9.415 1.00 0.00 C ATOM 385 C MET A 27 -0.255 4.563 -10.022 1.00 0.00 C ATOM 386 O MET A 27 -0.399 5.785 -10.051 1.00 0.00 O ATOM 387 CB MET A 27 2.102 3.855 -10.469 1.00 0.00 C ATOM 388 CG MET A 27 1.596 3.471 -11.850 1.00 0.00 C ATOM 389 SD MET A 27 2.850 3.667 -13.130 1.00 0.00 S ATOM 390 CE MET A 27 4.122 2.556 -12.530 1.00 0.00 C ATOM 0 H MET A 27 1.327 1.878 -9.212 1.00 0.00 H new ATOM 0 HA MET A 27 1.338 4.574 -8.596 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.608 4.818 -10.531 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.845 3.125 -10.147 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.258 2.435 -11.834 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.730 4.084 -12.099 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.018 3.127 -12.285 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.764 2.041 -11.638 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.359 1.823 -13.302 1.00 0.00 H new ATOM 400 N GLU A 28 -1.158 3.716 -10.505 1.00 0.00 N ATOM 401 CA GLU A 28 -2.397 4.187 -11.114 1.00 0.00 C ATOM 402 C GLU A 28 -3.413 4.579 -10.044 1.00 0.00 C ATOM 403 O GLU A 28 -4.220 5.486 -10.243 1.00 0.00 O ATOM 404 CB GLU A 28 -2.987 3.106 -12.022 1.00 0.00 C ATOM 405 CG GLU A 28 -2.220 2.916 -13.319 1.00 0.00 C ATOM 406 CD GLU A 28 -2.621 3.914 -14.387 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.514 5.132 -14.131 1.00 0.00 O ATOM 408 OE2 GLU A 28 -3.042 3.478 -15.479 1.00 0.00 O ATOM 0 H GLU A 28 -1.055 2.701 -10.487 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.167 5.068 -11.713 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.008 2.160 -11.480 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.020 3.363 -12.255 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.152 3.010 -13.122 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.388 1.905 -13.691 1.00 0.00 H new ATOM 415 N ASN A 29 -3.366 3.887 -8.911 1.00 0.00 N ATOM 416 CA ASN A 29 -4.283 4.161 -7.810 1.00 0.00 C ATOM 417 C ASN A 29 -3.572 4.903 -6.681 1.00 0.00 C ATOM 418 O ASN A 29 -4.071 4.973 -5.560 1.00 0.00 O ATOM 419 CB ASN A 29 -4.882 2.857 -7.280 1.00 0.00 C ATOM 420 CG ASN A 29 -5.840 2.218 -8.267 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.952 2.707 -8.474 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.413 1.121 -8.881 1.00 0.00 N ATOM 0 H ASN A 29 -2.703 3.133 -8.731 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.086 4.794 -8.188 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.078 2.157 -7.053 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.406 3.055 -6.345 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.014 0.647 -9.556 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.484 0.752 -8.678 1.00 0.00 H new ATOM 429 N ASN A 30 -2.402 5.454 -6.989 1.00 0.00 N ATOM 430 CA ASN A 30 -1.621 6.190 -6.000 1.00 0.00 C ATOM 431 C ASN A 30 -1.434 5.365 -4.731 1.00 0.00 C ATOM 432 O ASN A 30 -1.501 5.893 -3.620 1.00 0.00 O ATOM 433 CB ASN A 30 -2.306 7.516 -5.664 1.00 0.00 C ATOM 434 CG ASN A 30 -2.040 8.585 -6.706 1.00 0.00 C ATOM 435 OD1 ASN A 30 -2.967 9.120 -7.314 1.00 0.00 O ATOM 436 ND2 ASN A 30 -0.767 8.901 -6.918 1.00 0.00 N ATOM 0 H ASN A 30 -1.974 5.405 -7.914 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.639 6.394 -6.427 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.381 7.355 -5.579 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.958 7.865 -4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -0.526 9.613 -7.608 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.030 8.432 -6.391 1.00 0.00 H new ATOM 443 N ILE A 31 -1.199 4.068 -4.903 1.00 0.00 N ATOM 444 CA ILE A 31 -1.001 3.172 -3.771 1.00 0.00 C ATOM 445 C ILE A 31 0.483 2.973 -3.481 1.00 0.00 C ATOM 446 O ILE A 31 1.305 2.921 -4.395 1.00 0.00 O ATOM 447 CB ILE A 31 -1.651 1.798 -4.020 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.166 1.948 -4.184 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.329 0.845 -2.881 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.862 0.664 -4.572 1.00 0.00 C ATOM 0 H ILE A 31 -1.141 3.615 -5.815 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.478 3.641 -2.910 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.244 1.382 -4.942 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.590 2.313 -3.249 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.368 2.705 -4.942 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.796 -0.121 -3.072 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.249 0.718 -2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.711 1.254 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.932 0.846 -4.670 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.465 0.308 -5.523 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.691 -0.089 -3.803 1.00 0.00 H new ATOM 462 N LYS A 32 0.819 2.861 -2.199 1.00 0.00 N ATOM 463 CA LYS A 32 2.203 2.665 -1.787 1.00 0.00 C ATOM 464 C LYS A 32 2.515 1.182 -1.612 1.00 0.00 C ATOM 465 O LYS A 32 2.295 0.613 -0.541 1.00 0.00 O ATOM 466 CB LYS A 32 2.478 3.413 -0.479 1.00 0.00 C ATOM 467 CG LYS A 32 2.431 4.924 -0.620 1.00 0.00 C ATOM 468 CD LYS A 32 1.000 5.433 -0.687 1.00 0.00 C ATOM 469 CE LYS A 32 0.949 6.953 -0.679 1.00 0.00 C ATOM 470 NZ LYS A 32 1.217 7.525 -2.027 1.00 0.00 N ATOM 0 H LYS A 32 0.151 2.903 -1.429 1.00 0.00 H new ATOM 0 HA LYS A 32 2.848 3.064 -2.570 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.746 3.103 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.459 3.122 -0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.943 5.385 0.224 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.967 5.223 -1.520 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.521 5.056 -1.591 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.434 5.044 0.160 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.031 7.281 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.682 7.337 0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.173 8.563 -1.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.163 7.233 -2.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.503 7.179 -2.699 1.00 0.00 H new ATOM 484 N LEU A 33 3.027 0.562 -2.667 1.00 0.00 N ATOM 485 CA LEU A 33 3.371 -0.856 -2.631 1.00 0.00 C ATOM 486 C LEU A 33 3.871 -1.259 -1.247 1.00 0.00 C ATOM 487 O LEU A 33 3.298 -2.135 -0.600 1.00 0.00 O ATOM 488 CB LEU A 33 4.436 -1.171 -3.683 1.00 0.00 C ATOM 489 CG LEU A 33 3.917 -1.599 -5.056 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.067 -2.042 -5.946 1.00 0.00 C ATOM 491 CD2 LEU A 33 2.890 -2.714 -4.913 1.00 0.00 C ATOM 0 H LEU A 33 3.214 1.018 -3.560 1.00 0.00 H new ATOM 0 HA LEU A 33 2.471 -1.429 -2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.062 -0.288 -3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.077 -1.963 -3.296 1.00 0.00 H new ATOM 0 HG LEU A 33 3.432 -0.743 -5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.679 -2.343 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.767 -1.216 -6.074 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.581 -2.885 -5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.531 -3.007 -5.900 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.351 -3.573 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.052 -2.362 -4.312 1.00 0.00 H new ATOM 503 N SER A 34 4.942 -0.612 -0.800 1.00 0.00 N ATOM 504 CA SER A 34 5.520 -0.903 0.507 1.00 0.00 C ATOM 505 C SER A 34 4.440 -0.943 1.583 1.00 0.00 C ATOM 506 O SER A 34 4.453 -1.808 2.459 1.00 0.00 O ATOM 507 CB SER A 34 6.577 0.143 0.866 1.00 0.00 C ATOM 508 OG SER A 34 7.117 -0.098 2.154 1.00 0.00 O ATOM 0 H SER A 34 5.427 0.117 -1.323 1.00 0.00 H new ATOM 0 HA SER A 34 5.993 -1.884 0.457 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.376 0.127 0.125 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.133 1.138 0.835 1.00 0.00 H new ATOM 0 HG SER A 34 7.791 0.583 2.359 1.00 0.00 H new ATOM 514 N GLU A 35 3.507 0.001 1.510 1.00 0.00 N ATOM 515 CA GLU A 35 2.420 0.075 2.479 1.00 0.00 C ATOM 516 C GLU A 35 1.464 -1.104 2.316 1.00 0.00 C ATOM 517 O GLU A 35 0.790 -1.507 3.264 1.00 0.00 O ATOM 518 CB GLU A 35 1.655 1.391 2.321 1.00 0.00 C ATOM 519 CG GLU A 35 2.505 2.623 2.581 1.00 0.00 C ATOM 520 CD GLU A 35 3.149 2.610 3.953 1.00 0.00 C ATOM 521 OE1 GLU A 35 2.502 3.067 4.918 1.00 0.00 O ATOM 522 OE2 GLU A 35 4.302 2.140 4.061 1.00 0.00 O ATOM 0 H GLU A 35 3.482 0.724 0.791 1.00 0.00 H new ATOM 0 HA GLU A 35 2.855 0.033 3.478 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.249 1.447 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.807 1.393 3.006 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.282 2.690 1.820 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.885 3.514 2.483 1.00 0.00 H new ATOM 529 N VAL A 36 1.411 -1.652 1.106 1.00 0.00 N ATOM 530 CA VAL A 36 0.539 -2.785 0.817 1.00 0.00 C ATOM 531 C VAL A 36 1.081 -4.068 1.440 1.00 0.00 C ATOM 532 O VAL A 36 2.275 -4.355 1.354 1.00 0.00 O ATOM 533 CB VAL A 36 0.374 -2.993 -0.699 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.578 -4.145 -0.980 1.00 0.00 C ATOM 535 CG2 VAL A 36 -0.114 -1.714 -1.363 1.00 0.00 C ATOM 0 H VAL A 36 1.962 -1.330 0.310 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.434 -2.556 1.252 1.00 0.00 H new ATOM 0 HB VAL A 36 1.347 -3.246 -1.121 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.682 -4.277 -2.057 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.182 -5.060 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.553 -3.925 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.225 -1.880 -2.435 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.076 -1.428 -0.939 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.609 -0.917 -1.192 1.00 0.00 H new ATOM 545 N VAL A 37 0.195 -4.835 2.066 1.00 0.00 N ATOM 546 CA VAL A 37 0.583 -6.088 2.701 1.00 0.00 C ATOM 547 C VAL A 37 0.769 -7.194 1.668 1.00 0.00 C ATOM 548 O VAL A 37 -0.200 -7.803 1.214 1.00 0.00 O ATOM 549 CB VAL A 37 -0.464 -6.540 3.737 1.00 0.00 C ATOM 550 CG1 VAL A 37 -0.016 -7.819 4.427 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.717 -5.437 4.754 1.00 0.00 C ATOM 0 H VAL A 37 -0.797 -4.610 2.147 1.00 0.00 H new ATOM 0 HA VAL A 37 1.530 -5.905 3.208 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.399 -6.745 3.216 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.768 -8.122 5.155 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.110 -8.608 3.685 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.932 -7.645 4.936 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.459 -5.773 5.478 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.213 -5.199 5.271 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.086 -4.548 4.242 1.00 0.00 H new ATOM 561 N GLY A 38 2.020 -7.448 1.299 1.00 0.00 N ATOM 562 CA GLY A 38 2.311 -8.481 0.322 1.00 0.00 C ATOM 563 C GLY A 38 1.751 -9.832 0.722 1.00 0.00 C ATOM 564 O GLY A 38 1.815 -10.218 1.890 1.00 0.00 O ATOM 0 H GLY A 38 2.838 -6.957 1.659 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.896 -8.191 -0.643 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.390 -8.562 0.194 1.00 0.00 H new ATOM 627 N ARG A 44 6.480 -10.704 -1.147 1.00 0.00 N ATOM 628 CA ARG A 44 6.116 -10.441 -2.533 1.00 0.00 C ATOM 629 C ARG A 44 4.668 -9.970 -2.634 1.00 0.00 C ATOM 630 O ARG A 44 3.743 -10.689 -2.256 1.00 0.00 O ATOM 631 CB ARG A 44 6.316 -11.699 -3.382 1.00 0.00 C ATOM 632 CG ARG A 44 5.722 -11.591 -4.778 1.00 0.00 C ATOM 633 CD ARG A 44 5.917 -12.877 -5.566 1.00 0.00 C ATOM 634 NE ARG A 44 7.235 -12.941 -6.192 1.00 0.00 N ATOM 635 CZ ARG A 44 7.546 -12.304 -7.315 1.00 0.00 C ATOM 636 NH1 ARG A 44 6.639 -11.560 -7.933 1.00 0.00 N ATOM 637 NH2 ARG A 44 8.767 -12.411 -7.824 1.00 0.00 N ATOM 0 HA ARG A 44 6.764 -9.650 -2.910 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.383 -11.906 -3.465 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.866 -12.549 -2.869 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.658 -11.365 -4.706 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.189 -10.762 -5.310 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.789 -13.732 -4.902 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.147 -12.952 -6.334 1.00 0.00 H new ATOM 0 HE ARG A 44 7.956 -13.506 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.699 -11.476 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.881 -11.072 -8.795 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.468 -12.983 -7.353 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.005 -11.921 -8.687 1.00 0.00 H new ATOM 651 N ILE A 45 4.480 -8.760 -3.149 1.00 0.00 N ATOM 652 CA ILE A 45 3.145 -8.193 -3.300 1.00 0.00 C ATOM 653 C ILE A 45 2.512 -8.624 -4.619 1.00 0.00 C ATOM 654 O ILE A 45 3.063 -8.380 -5.693 1.00 0.00 O ATOM 655 CB ILE A 45 3.176 -6.655 -3.236 1.00 0.00 C ATOM 656 CG1 ILE A 45 4.001 -6.188 -2.036 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.762 -6.099 -3.162 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.678 -4.852 -2.250 1.00 0.00 C ATOM 0 H ILE A 45 5.235 -8.153 -3.469 1.00 0.00 H new ATOM 0 HA ILE A 45 2.546 -8.570 -2.471 1.00 0.00 H new ATOM 0 HB ILE A 45 3.647 -6.279 -4.144 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.352 -6.121 -1.163 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.759 -6.939 -1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.801 -5.011 -3.117 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.204 -6.406 -4.046 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.267 -6.481 -2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.245 -4.584 -1.358 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.353 -4.919 -3.103 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.924 -4.089 -2.443 1.00 0.00 H new ATOM 670 N LEU A 46 1.351 -9.263 -4.530 1.00 0.00 N ATOM 671 CA LEU A 46 0.641 -9.727 -5.716 1.00 0.00 C ATOM 672 C LEU A 46 -0.379 -8.692 -6.180 1.00 0.00 C ATOM 673 O LEU A 46 -0.472 -7.601 -5.617 1.00 0.00 O ATOM 674 CB LEU A 46 -0.060 -11.057 -5.428 1.00 0.00 C ATOM 675 CG LEU A 46 0.789 -12.127 -4.742 1.00 0.00 C ATOM 676 CD1 LEU A 46 -0.062 -13.339 -4.393 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.958 -12.531 -5.629 1.00 0.00 C ATOM 0 H LEU A 46 0.881 -9.472 -3.649 1.00 0.00 H new ATOM 0 HA LEU A 46 1.371 -9.873 -6.512 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.932 -10.858 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.428 -11.462 -6.370 1.00 0.00 H new ATOM 0 HG LEU A 46 1.189 -11.710 -3.818 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.558 -14.091 -3.905 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.865 -13.038 -3.719 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.490 -13.757 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.551 -13.293 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.580 -12.930 -6.570 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.581 -11.659 -5.829 1.00 0.00 H new ATOM 689 N LYS A 47 -1.144 -9.042 -7.208 1.00 0.00 N ATOM 690 CA LYS A 47 -2.160 -8.145 -7.747 1.00 0.00 C ATOM 691 C LYS A 47 -3.326 -7.999 -6.774 1.00 0.00 C ATOM 692 O LYS A 47 -3.870 -6.908 -6.603 1.00 0.00 O ATOM 693 CB LYS A 47 -2.667 -8.666 -9.093 1.00 0.00 C ATOM 694 CG LYS A 47 -3.952 -8.001 -9.557 1.00 0.00 C ATOM 695 CD LYS A 47 -4.287 -8.376 -10.991 1.00 0.00 C ATOM 696 CE LYS A 47 -5.566 -7.698 -11.459 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.743 -7.807 -12.935 1.00 0.00 N ATOM 0 H LYS A 47 -1.080 -9.941 -7.685 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.705 -7.165 -7.892 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.895 -8.512 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.830 -9.741 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.772 -8.295 -8.902 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.852 -6.919 -9.477 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.463 -8.092 -11.645 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.397 -9.458 -11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.421 -8.149 -10.956 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.546 -6.647 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.625 -7.333 -13.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.939 -7.354 -13.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.788 -8.810 -13.206 1.00 0.00 H new ATOM 711 N GLU A 48 -3.704 -9.104 -6.138 1.00 0.00 N ATOM 712 CA GLU A 48 -4.805 -9.096 -5.183 1.00 0.00 C ATOM 713 C GLU A 48 -4.564 -8.067 -4.082 1.00 0.00 C ATOM 714 O GLU A 48 -5.425 -7.235 -3.797 1.00 0.00 O ATOM 715 CB GLU A 48 -4.984 -10.485 -4.566 1.00 0.00 C ATOM 716 CG GLU A 48 -5.473 -11.531 -5.554 1.00 0.00 C ATOM 717 CD GLU A 48 -6.986 -11.595 -5.635 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.638 -11.592 -4.571 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.517 -11.649 -6.764 1.00 0.00 O ATOM 0 H GLU A 48 -3.264 -10.015 -6.267 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.714 -8.823 -5.719 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.033 -10.812 -4.145 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.692 -10.418 -3.740 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.069 -11.309 -6.542 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.087 -12.508 -5.264 1.00 0.00 H new ATOM 726 N ASP A 49 -3.386 -8.130 -3.469 1.00 0.00 N ATOM 727 CA ASP A 49 -3.031 -7.203 -2.401 1.00 0.00 C ATOM 728 C ASP A 49 -3.511 -5.792 -2.722 1.00 0.00 C ATOM 729 O ASP A 49 -4.078 -5.109 -1.868 1.00 0.00 O ATOM 730 CB ASP A 49 -1.517 -7.202 -2.182 1.00 0.00 C ATOM 731 CG ASP A 49 -0.997 -8.552 -1.727 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.783 -9.325 -1.141 1.00 0.00 O ATOM 733 OD2 ASP A 49 0.197 -8.835 -1.957 1.00 0.00 O ATOM 0 H ASP A 49 -2.662 -8.813 -3.694 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.524 -7.535 -1.487 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.019 -6.918 -3.109 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.261 -6.448 -1.438 1.00 0.00 H new ATOM 738 N ILE A 50 -3.281 -5.362 -3.959 1.00 0.00 N ATOM 739 CA ILE A 50 -3.692 -4.032 -4.392 1.00 0.00 C ATOM 740 C ILE A 50 -5.181 -3.811 -4.153 1.00 0.00 C ATOM 741 O ILE A 50 -5.584 -2.815 -3.551 1.00 0.00 O ATOM 742 CB ILE A 50 -3.383 -3.805 -5.883 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.877 -3.904 -6.136 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.915 -2.453 -6.335 1.00 0.00 C ATOM 745 CD1 ILE A 50 -1.130 -2.623 -5.834 1.00 0.00 C ATOM 0 H ILE A 50 -2.813 -5.915 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.122 -3.317 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.881 -4.581 -6.464 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.466 -4.708 -5.525 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.709 -4.177 -7.178 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.689 -2.308 -7.391 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.994 -2.419 -6.187 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.444 -1.663 -5.751 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.068 -2.765 -6.035 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.515 -1.820 -6.463 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.268 -2.360 -4.785 1.00 0.00 H new ATOM 757 N LEU A 51 -5.996 -4.747 -4.627 1.00 0.00 N ATOM 758 CA LEU A 51 -7.443 -4.656 -4.464 1.00 0.00 C ATOM 759 C LEU A 51 -7.823 -4.614 -2.987 1.00 0.00 C ATOM 760 O LEU A 51 -8.915 -4.174 -2.631 1.00 0.00 O ATOM 761 CB LEU A 51 -8.127 -5.842 -5.145 1.00 0.00 C ATOM 762 CG LEU A 51 -8.040 -5.883 -6.671 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.403 -7.267 -7.190 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.946 -4.826 -7.286 1.00 0.00 C ATOM 0 H LEU A 51 -5.680 -5.578 -5.127 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.780 -3.731 -4.933 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.692 -6.761 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.179 -5.840 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.012 -5.666 -6.963 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.335 -7.277 -8.278 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.713 -8.003 -6.777 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.421 -7.514 -6.887 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.871 -4.870 -8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.977 -5.011 -6.986 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.639 -3.839 -6.941 1.00 0.00 H new ATOM 776 N ASN A 52 -6.912 -5.072 -2.134 1.00 0.00 N ATOM 777 CA ASN A 52 -7.152 -5.085 -0.696 1.00 0.00 C ATOM 778 C ASN A 52 -6.664 -3.790 -0.052 1.00 0.00 C ATOM 779 O ASN A 52 -7.105 -3.421 1.037 1.00 0.00 O ATOM 780 CB ASN A 52 -6.452 -6.282 -0.052 1.00 0.00 C ATOM 781 CG ASN A 52 -7.095 -7.601 -0.433 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.066 -7.636 -1.192 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.558 -8.696 0.092 1.00 0.00 N ATOM 0 H ASN A 52 -6.002 -5.438 -2.414 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.226 -5.170 -0.533 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.404 -6.292 -0.352 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.472 -6.171 1.032 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.949 -9.612 -0.129 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.754 -8.621 0.716 1.00 0.00 H new ATOM 790 N TYR A 53 -5.753 -3.104 -0.733 1.00 0.00 N ATOM 791 CA TYR A 53 -5.204 -1.852 -0.227 1.00 0.00 C ATOM 792 C TYR A 53 -6.152 -0.689 -0.506 1.00 0.00 C ATOM 793 O TYR A 53 -6.093 0.348 0.157 1.00 0.00 O ATOM 794 CB TYR A 53 -3.840 -1.575 -0.862 1.00 0.00 C ATOM 795 CG TYR A 53 -3.233 -0.255 -0.445 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.714 0.945 -0.956 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.180 -0.206 0.460 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.164 2.154 -0.577 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.624 0.999 0.844 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.119 2.176 0.323 1.00 0.00 C ATOM 801 OH TYR A 53 -1.567 3.378 0.703 1.00 0.00 O ATOM 0 H TYR A 53 -5.379 -3.394 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.083 -1.948 0.852 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.155 -2.380 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.944 -1.590 -1.947 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.532 0.932 -1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.789 -1.126 0.870 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.550 3.077 -0.983 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -0.806 1.019 1.549 1.00 0.00 H new ATOM 0 HH TYR A 53 -0.842 3.217 1.343 1.00 0.00 H new ATOM 811 N LEU A 54 -7.025 -0.869 -1.490 1.00 0.00 N ATOM 812 CA LEU A 54 -7.987 0.163 -1.858 1.00 0.00 C ATOM 813 C LEU A 54 -9.204 0.126 -0.939 1.00 0.00 C ATOM 814 O LEU A 54 -9.768 1.164 -0.598 1.00 0.00 O ATOM 815 CB LEU A 54 -8.427 -0.016 -3.312 1.00 0.00 C ATOM 816 CG LEU A 54 -7.380 0.316 -4.376 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.676 -0.429 -5.668 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.328 1.817 -4.623 1.00 0.00 C ATOM 0 H LEU A 54 -7.087 -1.721 -2.048 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.501 1.132 -1.749 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.741 -1.050 -3.451 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.303 0.609 -3.485 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.405 -0.006 -4.011 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.920 -0.180 -6.413 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.661 -1.503 -5.481 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.659 -0.139 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.578 2.035 -5.383 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.303 2.163 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.066 2.329 -3.697 1.00 0.00 H new ATOM 830 N GLU A 55 -9.601 -1.079 -0.540 1.00 0.00 N ATOM 831 CA GLU A 55 -10.750 -1.250 0.342 1.00 0.00 C ATOM 832 C GLU A 55 -10.496 -0.602 1.700 1.00 0.00 C ATOM 833 O GLU A 55 -11.430 -0.212 2.399 1.00 0.00 O ATOM 834 CB GLU A 55 -11.063 -2.737 0.525 1.00 0.00 C ATOM 835 CG GLU A 55 -9.996 -3.492 1.299 1.00 0.00 C ATOM 836 CD GLU A 55 -10.556 -4.680 2.058 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.986 -4.495 3.216 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.564 -5.793 1.493 1.00 0.00 O ATOM 0 H GLU A 55 -9.145 -1.949 -0.813 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.606 -0.759 -0.120 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.016 -2.838 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.183 -3.198 -0.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.227 -3.837 0.608 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.512 -2.813 2.001 1.00 0.00 H new