USER MOD reduce.3.24.130724 H: found=0, std=0, add=290, rem=0, adj=5 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= -0.0586 USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 1.12 K(o=1.1,f=-0.027) USER MOD Single : A 30 ASN : amide:sc= -0.0976 K(o=-0.098,f=-1.9!) USER MOD Single : A 32 LYS NZ :NH3+ 156:sc= -0.0974 (180deg=-0.468) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -162:sc= -0.0508 (180deg=-0.327) USER MOD Single : A 52 ASN : amide:sc=-0.00477 K(o=-0.0048,f=-1.2) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.279 -6.392 -3.143 1.00 0.00 N ATOM 224 CA LEU A 17 8.990 -7.487 -4.062 1.00 0.00 C ATOM 225 C LEU A 17 7.580 -7.364 -4.630 1.00 0.00 C ATOM 226 O LEU A 17 6.604 -7.284 -3.885 1.00 0.00 O ATOM 227 CB LEU A 17 9.150 -8.832 -3.350 1.00 0.00 C ATOM 228 CG LEU A 17 10.543 -9.461 -3.409 1.00 0.00 C ATOM 229 CD1 LEU A 17 10.825 -10.002 -4.801 1.00 0.00 C ATOM 230 CD2 LEU A 17 11.603 -8.449 -3.003 1.00 0.00 C ATOM 0 HA LEU A 17 9.700 -7.433 -4.887 1.00 0.00 H new ATOM 0 HB2 LEU A 17 8.876 -8.701 -2.303 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.437 -9.535 -3.780 1.00 0.00 H new ATOM 0 HG LEU A 17 10.575 -10.292 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.820 -10.446 -4.824 1.00 0.00 H new ATOM 0 HD12 LEU A 17 10.084 -10.760 -5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 17 10.773 -9.189 -5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.588 -8.914 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 17 11.571 -7.597 -3.682 1.00 0.00 H new ATOM 0 HD23 LEU A 17 11.411 -8.110 -1.985 1.00 0.00 H new ATOM 242 N ALA A 18 7.481 -7.352 -5.955 1.00 0.00 N ATOM 243 CA ALA A 18 6.190 -7.243 -6.624 1.00 0.00 C ATOM 244 C ALA A 18 6.342 -7.372 -8.135 1.00 0.00 C ATOM 245 O ALA A 18 7.317 -6.892 -8.715 1.00 0.00 O ATOM 246 CB ALA A 18 5.521 -5.923 -6.269 1.00 0.00 C ATOM 0 H ALA A 18 8.279 -7.416 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 18 5.559 -8.062 -6.278 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.558 -5.855 -6.775 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.368 -5.871 -5.191 1.00 0.00 H new ATOM 0 HB3 ALA A 18 6.157 -5.096 -6.586 1.00 0.00 H new ATOM 252 N THR A 19 5.373 -8.024 -8.770 1.00 0.00 N ATOM 253 CA THR A 19 5.400 -8.218 -10.214 1.00 0.00 C ATOM 254 C THR A 19 5.330 -6.885 -10.949 1.00 0.00 C ATOM 255 O THR A 19 4.922 -5.863 -10.395 1.00 0.00 O ATOM 256 CB THR A 19 4.236 -9.111 -10.683 1.00 0.00 C ATOM 257 OG1 THR A 19 3.115 -8.958 -9.804 1.00 0.00 O ATOM 258 CG2 THR A 19 4.657 -10.571 -10.725 1.00 0.00 C ATOM 0 H THR A 19 4.559 -8.427 -8.306 1.00 0.00 H new ATOM 0 HA THR A 19 6.344 -8.711 -10.449 1.00 0.00 H new ATOM 0 HB THR A 19 3.953 -8.801 -11.689 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.379 -9.528 -10.110 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.818 -11.182 -11.059 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.491 -10.690 -11.417 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.964 -10.890 -9.729 1.00 0.00 H new ATOM 266 N PRO A 20 5.737 -6.890 -12.226 1.00 0.00 N ATOM 267 CA PRO A 20 5.730 -5.688 -13.065 1.00 0.00 C ATOM 268 C PRO A 20 4.316 -5.234 -13.416 1.00 0.00 C ATOM 269 O PRO A 20 4.068 -4.047 -13.620 1.00 0.00 O ATOM 270 CB PRO A 20 6.477 -6.129 -14.326 1.00 0.00 C ATOM 271 CG PRO A 20 6.288 -7.606 -14.381 1.00 0.00 C ATOM 272 CD PRO A 20 6.237 -8.070 -12.951 1.00 0.00 C ATOM 0 HA PRO A 20 6.186 -4.837 -12.559 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.073 -5.645 -15.215 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.534 -5.867 -14.272 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.369 -7.863 -14.908 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.107 -8.085 -14.918 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.574 -8.926 -12.830 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.220 -8.375 -12.592 1.00 0.00 H new ATOM 280 N ALA A 21 3.394 -6.188 -13.483 1.00 0.00 N ATOM 281 CA ALA A 21 2.005 -5.887 -13.807 1.00 0.00 C ATOM 282 C ALA A 21 1.300 -5.221 -12.630 1.00 0.00 C ATOM 283 O ALA A 21 0.456 -4.344 -12.813 1.00 0.00 O ATOM 284 CB ALA A 21 1.270 -7.155 -14.216 1.00 0.00 C ATOM 0 H ALA A 21 3.584 -7.176 -13.317 1.00 0.00 H new ATOM 0 HA ALA A 21 1.996 -5.190 -14.645 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.234 -6.914 -14.455 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.753 -7.589 -15.092 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.296 -7.871 -13.395 1.00 0.00 H new ATOM 290 N VAL A 22 1.650 -5.645 -11.419 1.00 0.00 N ATOM 291 CA VAL A 22 1.050 -5.091 -10.212 1.00 0.00 C ATOM 292 C VAL A 22 1.700 -3.764 -9.835 1.00 0.00 C ATOM 293 O VAL A 22 1.028 -2.839 -9.378 1.00 0.00 O ATOM 294 CB VAL A 22 1.174 -6.065 -9.025 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.585 -5.449 -7.765 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.495 -7.387 -9.350 1.00 0.00 C ATOM 0 H VAL A 22 2.346 -6.371 -11.249 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.005 -4.928 -10.430 1.00 0.00 H new ATOM 0 HB VAL A 22 2.231 -6.260 -8.845 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.682 -6.151 -6.937 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.120 -4.530 -7.525 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.469 -5.224 -7.929 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.592 -8.064 -8.501 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.561 -7.213 -9.557 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.967 -7.833 -10.225 1.00 0.00 H new ATOM 306 N ARG A 23 3.013 -3.678 -10.030 1.00 0.00 N ATOM 307 CA ARG A 23 3.754 -2.464 -9.711 1.00 0.00 C ATOM 308 C ARG A 23 3.085 -1.239 -10.328 1.00 0.00 C ATOM 309 O ARG A 23 3.201 -0.128 -9.810 1.00 0.00 O ATOM 310 CB ARG A 23 5.196 -2.576 -10.209 1.00 0.00 C ATOM 311 CG ARG A 23 6.096 -3.387 -9.292 1.00 0.00 C ATOM 312 CD ARG A 23 7.399 -3.763 -9.979 1.00 0.00 C ATOM 313 NE ARG A 23 8.385 -2.687 -9.913 1.00 0.00 N ATOM 314 CZ ARG A 23 9.645 -2.819 -10.309 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.072 -3.974 -10.799 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.482 -1.793 -10.217 1.00 0.00 N ATOM 0 H ARG A 23 3.584 -4.434 -10.407 1.00 0.00 H new ATOM 0 HA ARG A 23 3.759 -2.346 -8.627 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.195 -3.032 -11.199 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.612 -1.575 -10.320 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.311 -2.813 -8.391 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.576 -4.291 -8.977 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.809 -4.659 -9.513 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.201 -4.009 -11.022 1.00 0.00 H new ATOM 0 HE ARG A 23 8.089 -1.784 -9.542 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.432 -4.765 -10.873 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.041 -4.072 -11.102 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.157 -0.902 -9.842 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.450 -1.896 -10.522 1.00 0.00 H new ATOM 330 N ARG A 24 2.384 -1.450 -11.438 1.00 0.00 N ATOM 331 CA ARG A 24 1.698 -0.364 -12.127 1.00 0.00 C ATOM 332 C ARG A 24 0.311 -0.133 -11.532 1.00 0.00 C ATOM 333 O ARG A 24 -0.215 0.980 -11.570 1.00 0.00 O ATOM 334 CB ARG A 24 1.579 -0.673 -13.620 1.00 0.00 C ATOM 335 CG ARG A 24 0.370 -0.030 -14.280 1.00 0.00 C ATOM 336 CD ARG A 24 0.600 0.193 -15.767 1.00 0.00 C ATOM 337 NE ARG A 24 -0.534 0.856 -16.403 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.562 1.194 -17.687 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.476 0.930 -18.469 1.00 0.00 N ATOM 340 NH2 ARG A 24 -1.632 1.796 -18.192 1.00 0.00 N ATOM 0 H ARG A 24 2.277 -2.363 -11.879 1.00 0.00 H new ATOM 0 HA ARG A 24 2.286 0.544 -11.997 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.483 -0.333 -14.126 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.525 -1.753 -13.756 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.504 -0.665 -14.137 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.154 0.923 -13.797 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.498 0.795 -15.909 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.779 -0.766 -16.254 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.350 1.072 -15.830 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.299 0.466 -18.085 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.451 1.191 -19.455 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.433 1.999 -17.594 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.653 2.056 -19.178 1.00 0.00 H new ATOM 354 N LEU A 25 -0.275 -1.192 -10.985 1.00 0.00 N ATOM 355 CA LEU A 25 -1.601 -1.105 -10.383 1.00 0.00 C ATOM 356 C LEU A 25 -1.622 -0.077 -9.256 1.00 0.00 C ATOM 357 O LEU A 25 -2.678 0.439 -8.892 1.00 0.00 O ATOM 358 CB LEU A 25 -2.030 -2.474 -9.848 1.00 0.00 C ATOM 359 CG LEU A 25 -3.537 -2.702 -9.722 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.232 -2.422 -11.045 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.823 -4.122 -9.256 1.00 0.00 C ATOM 0 H LEU A 25 0.146 -2.120 -10.946 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.303 -0.786 -11.154 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.620 -3.243 -10.503 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.578 -2.617 -8.867 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.929 -2.010 -8.977 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.303 -2.590 -10.936 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.055 -1.387 -11.337 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.837 -3.088 -11.812 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.900 -4.267 -9.172 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.417 -4.831 -9.978 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.357 -4.287 -8.284 1.00 0.00 H new ATOM 373 N ALA A 26 -0.447 0.216 -8.708 1.00 0.00 N ATOM 374 CA ALA A 26 -0.330 1.186 -7.626 1.00 0.00 C ATOM 375 C ALA A 26 -0.113 2.593 -8.171 1.00 0.00 C ATOM 376 O ALA A 26 -0.840 3.523 -7.822 1.00 0.00 O ATOM 377 CB ALA A 26 0.808 0.799 -6.692 1.00 0.00 C ATOM 0 H ALA A 26 0.437 -0.204 -8.995 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.264 1.182 -7.065 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.884 1.532 -5.889 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.612 -0.186 -6.268 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.744 0.774 -7.250 1.00 0.00 H new ATOM 383 N MET A 27 0.891 2.743 -9.029 1.00 0.00 N ATOM 384 CA MET A 27 1.203 4.038 -9.622 1.00 0.00 C ATOM 385 C MET A 27 -0.048 4.680 -10.213 1.00 0.00 C ATOM 386 O MET A 27 -0.140 5.902 -10.316 1.00 0.00 O ATOM 387 CB MET A 27 2.272 3.883 -10.705 1.00 0.00 C ATOM 388 CG MET A 27 1.710 3.488 -12.061 1.00 0.00 C ATOM 389 SD MET A 27 2.941 3.577 -13.376 1.00 0.00 S ATOM 390 CE MET A 27 2.326 4.968 -14.322 1.00 0.00 C ATOM 0 H MET A 27 1.502 1.984 -9.329 1.00 0.00 H new ATOM 0 HA MET A 27 1.586 4.688 -8.835 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.815 4.823 -10.806 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.994 3.131 -10.387 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.316 2.473 -12.005 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.873 4.141 -12.307 1.00 0.00 H new ATOM 0 HE1 MET A 27 2.983 5.149 -15.173 1.00 0.00 H new ATOM 0 HE2 MET A 27 1.320 4.748 -14.681 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.300 5.855 -13.689 1.00 0.00 H new ATOM 400 N GLU A 28 -1.009 3.846 -10.601 1.00 0.00 N ATOM 401 CA GLU A 28 -2.253 4.334 -11.184 1.00 0.00 C ATOM 402 C GLU A 28 -3.271 4.666 -10.096 1.00 0.00 C ATOM 403 O GLU A 28 -4.097 5.563 -10.256 1.00 0.00 O ATOM 404 CB GLU A 28 -2.837 3.292 -12.141 1.00 0.00 C ATOM 405 CG GLU A 28 -2.027 3.115 -13.414 1.00 0.00 C ATOM 406 CD GLU A 28 -2.268 4.224 -14.419 1.00 0.00 C ATOM 407 OE1 GLU A 28 -3.422 4.371 -14.874 1.00 0.00 O ATOM 408 OE2 GLU A 28 -1.304 4.945 -14.750 1.00 0.00 O ATOM 0 H GLU A 28 -0.949 2.831 -10.522 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.030 5.245 -11.740 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.903 2.334 -11.626 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.854 3.582 -12.405 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.967 3.081 -13.163 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.278 2.157 -13.869 1.00 0.00 H new ATOM 415 N ASN A 29 -3.202 3.935 -8.987 1.00 0.00 N ATOM 416 CA ASN A 29 -4.117 4.151 -7.872 1.00 0.00 C ATOM 417 C ASN A 29 -3.407 4.845 -6.713 1.00 0.00 C ATOM 418 O ASN A 29 -3.870 4.803 -5.574 1.00 0.00 O ATOM 419 CB ASN A 29 -4.703 2.819 -7.401 1.00 0.00 C ATOM 420 CG ASN A 29 -5.744 2.274 -8.360 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.871 2.768 -8.416 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.372 1.250 -9.119 1.00 0.00 N ATOM 0 H ASN A 29 -2.523 3.189 -8.837 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.926 4.794 -8.217 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.900 2.091 -7.289 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.153 2.951 -6.417 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.030 0.841 -9.782 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.428 0.873 -9.039 1.00 0.00 H new ATOM 429 N ASN A 30 -2.282 5.484 -7.013 1.00 0.00 N ATOM 430 CA ASN A 30 -1.509 6.188 -5.997 1.00 0.00 C ATOM 431 C ASN A 30 -1.415 5.364 -4.716 1.00 0.00 C ATOM 432 O ASN A 30 -1.732 5.848 -3.630 1.00 0.00 O ATOM 433 CB ASN A 30 -2.140 7.548 -5.696 1.00 0.00 C ATOM 434 CG ASN A 30 -1.770 8.599 -6.725 1.00 0.00 C ATOM 435 OD1 ASN A 30 -0.884 8.387 -7.553 1.00 0.00 O ATOM 436 ND2 ASN A 30 -2.448 9.740 -6.677 1.00 0.00 N ATOM 0 H ASN A 30 -1.885 5.529 -7.951 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.502 6.341 -6.385 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.224 7.443 -5.662 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.821 7.882 -4.709 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.242 10.484 -7.344 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -3.174 9.872 -5.973 1.00 0.00 H new ATOM 443 N ILE A 31 -0.978 4.117 -4.853 1.00 0.00 N ATOM 444 CA ILE A 31 -0.841 3.226 -3.707 1.00 0.00 C ATOM 445 C ILE A 31 0.627 2.993 -3.364 1.00 0.00 C ATOM 446 O ILE A 31 1.452 2.758 -4.247 1.00 0.00 O ATOM 447 CB ILE A 31 -1.519 1.867 -3.966 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.025 2.053 -4.161 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.242 0.910 -2.817 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.734 0.796 -4.615 1.00 0.00 C ATOM 0 H ILE A 31 -0.713 3.701 -5.746 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.335 3.714 -2.867 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.104 1.438 -4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.466 2.391 -3.223 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.194 2.841 -4.895 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.727 -0.046 -3.014 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.167 0.758 -2.721 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.633 1.331 -1.891 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.798 1.001 -4.733 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.320 0.469 -5.569 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.596 0.011 -3.871 1.00 0.00 H new ATOM 462 N LYS A 32 0.945 3.056 -2.075 1.00 0.00 N ATOM 463 CA LYS A 32 2.312 2.848 -1.614 1.00 0.00 C ATOM 464 C LYS A 32 2.600 1.363 -1.416 1.00 0.00 C ATOM 465 O LYS A 32 2.301 0.797 -0.363 1.00 0.00 O ATOM 466 CB LYS A 32 2.549 3.603 -0.304 1.00 0.00 C ATOM 467 CG LYS A 32 2.732 5.100 -0.489 1.00 0.00 C ATOM 468 CD LYS A 32 1.396 5.816 -0.593 1.00 0.00 C ATOM 469 CE LYS A 32 0.836 6.155 0.780 1.00 0.00 C ATOM 470 NZ LYS A 32 1.673 7.165 1.485 1.00 0.00 N ATOM 0 H LYS A 32 0.274 3.249 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 32 2.989 3.232 -2.377 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.706 3.428 0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.433 3.195 0.186 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.298 5.505 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 32 3.317 5.287 -1.389 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.517 6.731 -1.174 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.686 5.188 -1.131 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.180 6.535 0.674 1.00 0.00 H new ATOM 0 HE3 LYS A 32 0.776 5.248 1.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.094 7.665 2.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.464 6.688 1.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.047 7.848 0.796 1.00 0.00 H new ATOM 484 N LEU A 33 3.183 0.739 -2.433 1.00 0.00 N ATOM 485 CA LEU A 33 3.514 -0.681 -2.371 1.00 0.00 C ATOM 486 C LEU A 33 3.993 -1.068 -0.975 1.00 0.00 C ATOM 487 O LEU A 33 3.444 -1.974 -0.348 1.00 0.00 O ATOM 488 CB LEU A 33 4.589 -1.021 -3.404 1.00 0.00 C ATOM 489 CG LEU A 33 4.085 -1.466 -4.777 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.223 -2.046 -5.601 1.00 0.00 C ATOM 491 CD2 LEU A 33 2.961 -2.481 -4.627 1.00 0.00 C ATOM 0 H LEU A 33 3.436 1.193 -3.310 1.00 0.00 H new ATOM 0 HA LEU A 33 2.611 -1.249 -2.596 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.224 -0.146 -3.539 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.218 -1.812 -2.997 1.00 0.00 H new ATOM 0 HG LEU A 33 3.694 -0.594 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.845 -2.357 -6.575 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.996 -1.290 -5.737 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.645 -2.907 -5.083 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.613 -2.788 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.328 -3.352 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.136 -2.031 -4.075 1.00 0.00 H new ATOM 503 N SER A 34 5.019 -0.374 -0.494 1.00 0.00 N ATOM 504 CA SER A 34 5.573 -0.645 0.828 1.00 0.00 C ATOM 505 C SER A 34 4.463 -0.768 1.868 1.00 0.00 C ATOM 506 O SER A 34 4.525 -1.615 2.759 1.00 0.00 O ATOM 507 CB SER A 34 6.546 0.463 1.233 1.00 0.00 C ATOM 508 OG SER A 34 7.158 0.174 2.478 1.00 0.00 O ATOM 0 H SER A 34 5.484 0.380 -1.000 1.00 0.00 H new ATOM 0 HA SER A 34 6.110 -1.592 0.782 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.312 0.577 0.466 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.015 1.413 1.297 1.00 0.00 H new ATOM 0 HG SER A 34 7.777 0.897 2.714 1.00 0.00 H new ATOM 514 N GLU A 35 3.449 0.082 1.746 1.00 0.00 N ATOM 515 CA GLU A 35 2.325 0.069 2.674 1.00 0.00 C ATOM 516 C GLU A 35 1.468 -1.177 2.474 1.00 0.00 C ATOM 517 O GLU A 35 0.953 -1.751 3.434 1.00 0.00 O ATOM 518 CB GLU A 35 1.470 1.325 2.493 1.00 0.00 C ATOM 519 CG GLU A 35 2.212 2.616 2.799 1.00 0.00 C ATOM 520 CD GLU A 35 2.824 2.622 4.186 1.00 0.00 C ATOM 521 OE1 GLU A 35 3.929 2.063 4.348 1.00 0.00 O ATOM 522 OE2 GLU A 35 2.199 3.185 5.109 1.00 0.00 O ATOM 0 H GLU A 35 3.383 0.789 1.013 1.00 0.00 H new ATOM 0 HA GLU A 35 2.725 0.054 3.688 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.104 1.361 1.467 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.596 1.256 3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.998 2.763 2.058 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.525 3.457 2.706 1.00 0.00 H new ATOM 529 N VAL A 36 1.318 -1.590 1.219 1.00 0.00 N ATOM 530 CA VAL A 36 0.524 -2.768 0.891 1.00 0.00 C ATOM 531 C VAL A 36 1.136 -4.028 1.491 1.00 0.00 C ATOM 532 O VAL A 36 2.301 -4.343 1.245 1.00 0.00 O ATOM 533 CB VAL A 36 0.392 -2.949 -0.633 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.609 -4.048 -0.955 1.00 0.00 C ATOM 535 CG2 VAL A 36 -0.012 -1.639 -1.292 1.00 0.00 C ATOM 0 H VAL A 36 1.736 -1.126 0.413 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.467 -2.611 1.318 1.00 0.00 H new ATOM 0 HB VAL A 36 1.362 -3.246 -1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.689 -4.162 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.272 -4.987 -0.515 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.584 -3.784 -0.545 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.101 -1.785 -2.368 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.970 -1.310 -0.890 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.745 -0.881 -1.090 1.00 0.00 H new ATOM 545 N VAL A 37 0.344 -4.747 2.279 1.00 0.00 N ATOM 546 CA VAL A 37 0.807 -5.975 2.914 1.00 0.00 C ATOM 547 C VAL A 37 0.906 -7.112 1.903 1.00 0.00 C ATOM 548 O VAL A 37 -0.080 -7.789 1.616 1.00 0.00 O ATOM 549 CB VAL A 37 -0.129 -6.402 4.060 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.397 -7.659 4.739 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.290 -5.271 5.064 1.00 0.00 C ATOM 0 H VAL A 37 -0.622 -4.500 2.493 1.00 0.00 H new ATOM 0 HA VAL A 37 1.796 -5.767 3.322 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.110 -6.628 3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.277 -7.946 5.546 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.456 -8.468 4.011 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.389 -7.464 5.147 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.954 -5.589 5.867 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.684 -5.012 5.480 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.715 -4.400 4.566 1.00 0.00 H new ATOM 561 N GLY A 38 2.105 -7.317 1.366 1.00 0.00 N ATOM 562 CA GLY A 38 2.312 -8.374 0.393 1.00 0.00 C ATOM 563 C GLY A 38 2.032 -9.750 0.963 1.00 0.00 C ATOM 564 O GLY A 38 2.264 -9.997 2.147 1.00 0.00 O ATOM 0 H GLY A 38 2.937 -6.770 1.587 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.666 -8.203 -0.468 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.340 -8.336 0.033 1.00 0.00 H new ATOM 627 N ARG A 44 6.575 -10.628 -1.337 1.00 0.00 N ATOM 628 CA ARG A 44 6.129 -10.079 -2.612 1.00 0.00 C ATOM 629 C ARG A 44 4.664 -9.659 -2.541 1.00 0.00 C ATOM 630 O ARG A 44 3.858 -10.298 -1.862 1.00 0.00 O ATOM 631 CB ARG A 44 6.322 -11.106 -3.729 1.00 0.00 C ATOM 632 CG ARG A 44 5.916 -10.596 -5.102 1.00 0.00 C ATOM 633 CD ARG A 44 6.103 -11.663 -6.170 1.00 0.00 C ATOM 634 NE ARG A 44 7.360 -12.388 -6.005 1.00 0.00 N ATOM 635 CZ ARG A 44 7.603 -13.572 -6.557 1.00 0.00 C ATOM 636 NH1 ARG A 44 6.681 -14.159 -7.305 1.00 0.00 N ATOM 637 NH2 ARG A 44 8.771 -14.168 -6.360 1.00 0.00 N ATOM 0 HA ARG A 44 6.732 -9.197 -2.830 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.369 -11.407 -3.758 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.741 -11.998 -3.495 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.873 -10.280 -5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.510 -9.718 -5.355 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.271 -12.366 -6.130 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.080 -11.198 -7.155 1.00 0.00 H new ATOM 0 HE ARG A 44 8.091 -11.962 -5.435 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.782 -13.702 -7.458 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.870 -15.068 -7.728 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.483 -13.718 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.958 -15.077 -6.784 1.00 0.00 H new ATOM 651 N ILE A 45 4.327 -8.584 -3.244 1.00 0.00 N ATOM 652 CA ILE A 45 2.958 -8.080 -3.260 1.00 0.00 C ATOM 653 C ILE A 45 2.208 -8.568 -4.494 1.00 0.00 C ATOM 654 O ILE A 45 2.575 -8.247 -5.626 1.00 0.00 O ATOM 655 CB ILE A 45 2.926 -6.541 -3.228 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.728 -6.017 -2.037 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.488 -6.044 -3.165 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.355 -4.662 -2.279 1.00 0.00 C ATOM 0 H ILE A 45 4.982 -8.045 -3.810 1.00 0.00 H new ATOM 0 HA ILE A 45 2.468 -8.464 -2.365 1.00 0.00 H new ATOM 0 HB ILE A 45 3.382 -6.163 -4.143 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.073 -5.955 -1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.513 -6.733 -1.795 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.480 -4.954 -3.143 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.944 -6.393 -4.042 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.009 -6.429 -2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.908 -4.353 -1.392 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.036 -4.722 -3.128 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.574 -3.932 -2.491 1.00 0.00 H new ATOM 670 N LEU A 46 1.153 -9.344 -4.271 1.00 0.00 N ATOM 671 CA LEU A 46 0.348 -9.876 -5.365 1.00 0.00 C ATOM 672 C LEU A 46 -0.740 -8.886 -5.771 1.00 0.00 C ATOM 673 O LEU A 46 -1.077 -7.973 -5.017 1.00 0.00 O ATOM 674 CB LEU A 46 -0.285 -11.208 -4.958 1.00 0.00 C ATOM 675 CG LEU A 46 0.648 -12.218 -4.289 1.00 0.00 C ATOM 676 CD1 LEU A 46 -0.108 -13.488 -3.932 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.829 -12.535 -5.196 1.00 0.00 C ATOM 0 H LEU A 46 0.835 -9.619 -3.342 1.00 0.00 H new ATOM 0 HA LEU A 46 1.004 -10.039 -6.220 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.112 -11.002 -4.278 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.712 -11.671 -5.848 1.00 0.00 H new ATOM 0 HG LEU A 46 1.030 -11.777 -3.369 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.572 -14.195 -3.457 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.919 -13.248 -3.245 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.520 -13.933 -4.838 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.483 -13.255 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.465 -12.956 -6.133 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.386 -11.621 -5.401 1.00 0.00 H new ATOM 689 N LYS A 47 -1.287 -9.075 -6.967 1.00 0.00 N ATOM 690 CA LYS A 47 -2.340 -8.202 -7.473 1.00 0.00 C ATOM 691 C LYS A 47 -3.494 -8.109 -6.480 1.00 0.00 C ATOM 692 O LYS A 47 -4.080 -7.043 -6.295 1.00 0.00 O ATOM 693 CB LYS A 47 -2.852 -8.715 -8.821 1.00 0.00 C ATOM 694 CG LYS A 47 -4.140 -8.051 -9.274 1.00 0.00 C ATOM 695 CD LYS A 47 -4.388 -8.270 -10.758 1.00 0.00 C ATOM 696 CE LYS A 47 -5.781 -7.812 -11.164 1.00 0.00 C ATOM 697 NZ LYS A 47 -6.843 -8.645 -10.536 1.00 0.00 N ATOM 0 H LYS A 47 -1.019 -9.825 -7.604 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.919 -7.206 -7.607 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.084 -8.553 -9.577 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.012 -9.791 -8.754 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.977 -8.450 -8.701 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.092 -6.982 -9.066 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.642 -7.726 -11.337 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.268 -9.327 -10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.919 -6.770 -10.876 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.877 -7.858 -12.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.736 -8.516 -11.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.565 -9.646 -10.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -6.971 -8.355 -9.545 1.00 0.00 H new ATOM 711 N GLU A 48 -3.814 -9.232 -5.846 1.00 0.00 N ATOM 712 CA GLU A 48 -4.899 -9.275 -4.871 1.00 0.00 C ATOM 713 C GLU A 48 -4.688 -8.233 -3.776 1.00 0.00 C ATOM 714 O GLU A 48 -5.617 -7.518 -3.399 1.00 0.00 O ATOM 715 CB GLU A 48 -5.001 -10.669 -4.250 1.00 0.00 C ATOM 716 CG GLU A 48 -5.288 -11.767 -5.262 1.00 0.00 C ATOM 717 CD GLU A 48 -6.772 -11.984 -5.480 1.00 0.00 C ATOM 718 OE1 GLU A 48 -7.382 -12.744 -4.700 1.00 0.00 O ATOM 719 OE2 GLU A 48 -7.323 -11.396 -6.434 1.00 0.00 O ATOM 0 H GLU A 48 -3.339 -10.123 -5.989 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.830 -9.048 -5.391 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.068 -10.897 -3.734 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.789 -10.665 -3.497 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -4.818 -11.512 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.834 -12.698 -4.921 1.00 0.00 H new ATOM 726 N ASP A 49 -3.462 -8.154 -3.271 1.00 0.00 N ATOM 727 CA ASP A 49 -3.128 -7.200 -2.220 1.00 0.00 C ATOM 728 C ASP A 49 -3.573 -5.792 -2.604 1.00 0.00 C ATOM 729 O ASP A 49 -4.197 -5.089 -1.808 1.00 0.00 O ATOM 730 CB ASP A 49 -1.624 -7.216 -1.945 1.00 0.00 C ATOM 731 CG ASP A 49 -1.183 -8.470 -1.218 1.00 0.00 C ATOM 732 OD1 ASP A 49 -1.926 -8.934 -0.328 1.00 0.00 O ATOM 733 OD2 ASP A 49 -0.092 -8.988 -1.538 1.00 0.00 O ATOM 0 H ASP A 49 -2.683 -8.739 -3.572 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.657 -7.495 -1.314 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.084 -7.137 -2.889 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.357 -6.342 -1.351 1.00 0.00 H new ATOM 738 N ILE A 50 -3.246 -5.385 -3.826 1.00 0.00 N ATOM 739 CA ILE A 50 -3.612 -4.062 -4.314 1.00 0.00 C ATOM 740 C ILE A 50 -5.106 -3.808 -4.147 1.00 0.00 C ATOM 741 O ILE A 50 -5.515 -2.808 -3.553 1.00 0.00 O ATOM 742 CB ILE A 50 -3.235 -3.884 -5.796 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.724 -4.037 -5.983 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.704 -2.529 -6.304 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.930 -2.855 -5.469 1.00 0.00 C ATOM 0 H ILE A 50 -2.728 -5.953 -4.496 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.054 -3.341 -3.717 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.734 -4.659 -6.378 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.392 -4.939 -5.469 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.509 -4.176 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.430 -2.419 -7.353 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.787 -2.457 -6.203 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.232 -1.738 -5.721 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.133 -3.031 -5.634 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.235 -1.953 -6.000 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.116 -2.728 -4.402 1.00 0.00 H new ATOM 757 N LEU A 51 -5.918 -4.719 -4.671 1.00 0.00 N ATOM 758 CA LEU A 51 -7.369 -4.595 -4.579 1.00 0.00 C ATOM 759 C LEU A 51 -7.824 -4.605 -3.123 1.00 0.00 C ATOM 760 O LEU A 51 -8.941 -4.195 -2.809 1.00 0.00 O ATOM 761 CB LEU A 51 -8.047 -5.733 -5.345 1.00 0.00 C ATOM 762 CG LEU A 51 -7.946 -5.669 -6.869 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.352 -6.998 -7.486 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.807 -4.539 -7.415 1.00 0.00 C ATOM 0 H LEU A 51 -5.597 -5.552 -5.164 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.657 -3.643 -5.024 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.615 -6.677 -5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.102 -5.751 -5.071 1.00 0.00 H new ATOM 0 HG LEU A 51 -6.909 -5.469 -7.137 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.274 -6.934 -8.571 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.693 -7.785 -7.121 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.381 -7.229 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.722 -4.509 -8.501 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.847 -4.707 -7.137 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.469 -3.590 -6.999 1.00 0.00 H new ATOM 776 N ASN A 52 -6.951 -5.074 -2.238 1.00 0.00 N ATOM 777 CA ASN A 52 -7.263 -5.135 -0.814 1.00 0.00 C ATOM 778 C ASN A 52 -6.884 -3.832 -0.118 1.00 0.00 C ATOM 779 O ASN A 52 -7.393 -3.520 0.959 1.00 0.00 O ATOM 780 CB ASN A 52 -6.530 -6.308 -0.160 1.00 0.00 C ATOM 781 CG ASN A 52 -7.228 -7.633 -0.400 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.190 -7.711 -1.166 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.746 -8.684 0.254 1.00 0.00 N ATOM 0 H ASN A 52 -6.022 -5.417 -2.481 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.338 -5.283 -0.709 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.513 -6.360 -0.550 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.451 -6.131 0.913 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.175 -9.601 0.131 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.947 -8.574 0.879 1.00 0.00 H new ATOM 790 N TYR A 53 -5.986 -3.076 -0.739 1.00 0.00 N ATOM 791 CA TYR A 53 -5.537 -1.806 -0.179 1.00 0.00 C ATOM 792 C TYR A 53 -6.479 -0.673 -0.574 1.00 0.00 C ATOM 793 O TYR A 53 -6.577 0.338 0.123 1.00 0.00 O ATOM 794 CB TYR A 53 -4.115 -1.492 -0.649 1.00 0.00 C ATOM 795 CG TYR A 53 -3.637 -0.113 -0.252 1.00 0.00 C ATOM 796 CD1 TYR A 53 -4.055 1.015 -0.947 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.768 0.060 0.817 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.620 2.277 -0.587 1.00 0.00 C ATOM 799 CE2 TYR A 53 -2.329 1.318 1.185 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.758 2.423 0.480 1.00 0.00 C ATOM 801 OH TYR A 53 -2.322 3.676 0.841 1.00 0.00 O ATOM 0 H TYR A 53 -5.554 -3.320 -1.630 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.542 -1.894 0.907 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.433 -2.236 -0.238 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.071 -1.584 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.731 0.904 -1.782 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.429 -0.803 1.371 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.953 3.144 -1.138 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.654 1.435 2.020 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.722 3.604 1.612 1.00 0.00 H new ATOM 811 N LEU A 54 -7.167 -0.849 -1.696 1.00 0.00 N ATOM 812 CA LEU A 54 -8.103 0.159 -2.185 1.00 0.00 C ATOM 813 C LEU A 54 -9.457 0.025 -1.495 1.00 0.00 C ATOM 814 O LEU A 54 -10.124 1.021 -1.220 1.00 0.00 O ATOM 815 CB LEU A 54 -8.274 0.030 -3.699 1.00 0.00 C ATOM 816 CG LEU A 54 -7.076 0.454 -4.549 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.189 -0.119 -5.954 1.00 0.00 C ATOM 818 CD2 LEU A 54 -6.965 1.971 -4.597 1.00 0.00 C ATOM 0 H LEU A 54 -7.095 -1.679 -2.284 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.695 1.143 -1.954 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.509 -1.009 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.136 0.626 -3.999 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.171 0.058 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.328 0.193 -6.545 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.218 -1.207 -5.902 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.102 0.246 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.107 2.254 -5.206 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -7.873 2.389 -5.033 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.836 2.359 -3.586 1.00 0.00 H new ATOM 830 N GLU A 55 -9.854 -1.212 -1.216 1.00 0.00 N ATOM 831 CA GLU A 55 -11.128 -1.475 -0.556 1.00 0.00 C ATOM 832 C GLU A 55 -11.208 -0.745 0.781 1.00 0.00 C ATOM 833 O GLU A 55 -12.296 -0.443 1.272 1.00 0.00 O ATOM 834 CB GLU A 55 -11.317 -2.978 -0.343 1.00 0.00 C ATOM 835 CG GLU A 55 -10.715 -3.487 0.957 1.00 0.00 C ATOM 836 CD GLU A 55 -11.002 -4.957 1.196 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.782 -5.763 0.267 1.00 0.00 O ATOM 838 OE2 GLU A 55 -11.447 -5.301 2.310 1.00 0.00 O ATOM 0 H GLU A 55 -9.312 -2.048 -1.436 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.926 -1.105 -1.200 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.383 -3.207 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -10.866 -3.515 -1.178 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.637 -3.329 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -11.110 -2.904 1.789 1.00 0.00 H new