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 -170:sc= -0.385 USER MOD Single : A 27 MET CE :methyl -164:sc= 0 (180deg=-0.118) USER MOD Single : A 29 ASN : amide:sc= 0.604 K(o=0.6,f=-0.0028) USER MOD Single : A 30 ASN : amide:sc= -4.53! C(o=-4.5!,f=-6.2!) 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= -0.156 K(o=-0.16,f=-1.2) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.250 -6.201 -3.168 1.00 0.00 N ATOM 224 CA LEU A 17 9.170 -7.377 -4.027 1.00 0.00 C ATOM 225 C LEU A 17 7.762 -7.546 -4.588 1.00 0.00 C ATOM 226 O LEU A 17 6.860 -8.017 -3.896 1.00 0.00 O ATOM 227 CB LEU A 17 9.576 -8.629 -3.250 1.00 0.00 C ATOM 228 CG LEU A 17 9.816 -9.888 -4.084 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.206 -9.863 -4.701 1.00 0.00 C ATOM 230 CD2 LEU A 17 9.630 -11.136 -3.233 1.00 0.00 C ATOM 0 HA LEU A 17 9.858 -7.236 -4.860 1.00 0.00 H new ATOM 0 HB2 LEU A 17 10.486 -8.407 -2.693 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.799 -8.846 -2.517 1.00 0.00 H new ATOM 0 HG LEU A 17 9.083 -9.911 -4.891 1.00 0.00 H new ATOM 0 HD11 LEU A 17 11.359 -10.767 -5.291 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.303 -8.989 -5.345 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.954 -9.815 -3.910 1.00 0.00 H new ATOM 0 HD21 LEU A 17 9.805 -12.022 -3.843 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.338 -11.120 -2.405 1.00 0.00 H new ATOM 0 HD23 LEU A 17 8.613 -11.161 -2.841 1.00 0.00 H new ATOM 242 N ALA A 18 7.581 -7.161 -5.847 1.00 0.00 N ATOM 243 CA ALA A 18 6.285 -7.274 -6.502 1.00 0.00 C ATOM 244 C ALA A 18 6.435 -7.293 -8.020 1.00 0.00 C ATOM 245 O ALA A 18 7.256 -6.568 -8.582 1.00 0.00 O ATOM 246 CB ALA A 18 5.375 -6.130 -6.075 1.00 0.00 C ATOM 0 H ALA A 18 8.317 -6.768 -6.434 1.00 0.00 H new ATOM 0 HA ALA A 18 5.834 -8.218 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.410 -6.228 -6.572 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.231 -6.163 -4.995 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.831 -5.179 -6.352 1.00 0.00 H new ATOM 252 N THR A 19 5.638 -8.129 -8.678 1.00 0.00 N ATOM 253 CA THR A 19 5.684 -8.244 -10.130 1.00 0.00 C ATOM 254 C THR A 19 5.582 -6.876 -10.794 1.00 0.00 C ATOM 255 O THR A 19 5.134 -5.900 -10.193 1.00 0.00 O ATOM 256 CB THR A 19 4.552 -9.145 -10.659 1.00 0.00 C ATOM 257 OG1 THR A 19 3.418 -9.068 -9.788 1.00 0.00 O ATOM 258 CG2 THR A 19 5.016 -10.590 -10.768 1.00 0.00 C ATOM 0 H THR A 19 4.953 -8.736 -8.228 1.00 0.00 H new ATOM 0 HA THR A 19 6.644 -8.695 -10.380 1.00 0.00 H new ATOM 0 HB THR A 19 4.272 -8.794 -11.652 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.766 -9.756 -10.038 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.200 -11.207 -11.144 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.861 -10.650 -11.454 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.320 -10.950 -9.785 1.00 0.00 H new ATOM 266 N PRO A 20 6.005 -6.801 -12.065 1.00 0.00 N ATOM 267 CA PRO A 20 5.970 -5.556 -12.839 1.00 0.00 C ATOM 268 C PRO A 20 4.547 -5.129 -13.185 1.00 0.00 C ATOM 269 O PRO A 20 4.237 -3.939 -13.215 1.00 0.00 O ATOM 270 CB PRO A 20 6.746 -5.907 -14.110 1.00 0.00 C ATOM 271 CG PRO A 20 6.604 -7.384 -14.247 1.00 0.00 C ATOM 272 CD PRO A 20 6.550 -7.925 -12.844 1.00 0.00 C ATOM 0 HA PRO A 20 6.391 -4.718 -12.283 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.339 -5.388 -14.978 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.793 -5.616 -14.027 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.700 -7.640 -14.799 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.444 -7.808 -14.797 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.912 -8.806 -12.778 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.538 -8.219 -12.488 1.00 0.00 H new ATOM 280 N ALA A 21 3.686 -6.108 -13.442 1.00 0.00 N ATOM 281 CA ALA A 21 2.296 -5.834 -13.783 1.00 0.00 C ATOM 282 C ALA A 21 1.533 -5.292 -12.579 1.00 0.00 C ATOM 283 O ALA A 21 0.595 -4.508 -12.727 1.00 0.00 O ATOM 284 CB ALA A 21 1.623 -7.091 -14.314 1.00 0.00 C ATOM 0 H ALA A 21 3.927 -7.099 -13.420 1.00 0.00 H new ATOM 0 HA ALA A 21 2.283 -5.072 -14.563 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.585 -6.870 -14.564 1.00 0.00 H new ATOM 0 HB2 ALA A 21 2.146 -7.435 -15.206 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.655 -7.870 -13.552 1.00 0.00 H new ATOM 290 N VAL A 22 1.939 -5.715 -11.387 1.00 0.00 N ATOM 291 CA VAL A 22 1.294 -5.272 -10.157 1.00 0.00 C ATOM 292 C VAL A 22 1.830 -3.916 -9.713 1.00 0.00 C ATOM 293 O VAL A 22 1.080 -3.069 -9.226 1.00 0.00 O ATOM 294 CB VAL A 22 1.496 -6.290 -9.019 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.927 -5.753 -7.714 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.860 -7.624 -9.378 1.00 0.00 C ATOM 0 H VAL A 22 2.713 -6.365 -11.247 1.00 0.00 H new ATOM 0 HA VAL A 22 0.229 -5.185 -10.372 1.00 0.00 H new ATOM 0 HB VAL A 22 2.566 -6.448 -8.883 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.079 -6.486 -6.922 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.433 -4.824 -7.451 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.140 -5.563 -7.833 1.00 0.00 H new ATOM 0 HG21 VAL A 22 1.013 -8.331 -8.563 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.208 -7.485 -9.543 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.320 -8.013 -10.286 1.00 0.00 H new ATOM 306 N ARG A 23 3.133 -3.716 -9.884 1.00 0.00 N ATOM 307 CA ARG A 23 3.770 -2.462 -9.500 1.00 0.00 C ATOM 308 C ARG A 23 3.064 -1.273 -10.145 1.00 0.00 C ATOM 309 O ARG A 23 3.021 -0.181 -9.579 1.00 0.00 O ATOM 310 CB ARG A 23 5.246 -2.471 -9.901 1.00 0.00 C ATOM 311 CG ARG A 23 6.136 -3.231 -8.932 1.00 0.00 C ATOM 312 CD ARG A 23 7.511 -3.491 -9.525 1.00 0.00 C ATOM 313 NE ARG A 23 8.348 -2.295 -9.513 1.00 0.00 N ATOM 314 CZ ARG A 23 9.628 -2.288 -9.869 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.215 -3.410 -10.263 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.323 -1.158 -9.833 1.00 0.00 N ATOM 0 H ARG A 23 3.768 -4.406 -10.286 1.00 0.00 H new ATOM 0 HA ARG A 23 3.695 -2.363 -8.417 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.342 -2.914 -10.892 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.600 -1.443 -9.976 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.239 -2.662 -8.008 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.666 -4.179 -8.672 1.00 0.00 H new ATOM 0 HD2 ARG A 23 8.004 -4.284 -8.963 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.402 -3.847 -10.549 1.00 0.00 H new ATOM 0 HE ARG A 23 7.927 -1.415 -9.215 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.684 -4.280 -10.293 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.198 -3.403 -10.536 1.00 0.00 H new ATOM 0 HH21 ARG A 23 9.875 -0.293 -9.532 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.306 -1.155 -10.107 1.00 0.00 H new ATOM 330 N ARG A 24 2.511 -1.494 -11.334 1.00 0.00 N ATOM 331 CA ARG A 24 1.809 -0.441 -12.057 1.00 0.00 C ATOM 332 C ARG A 24 0.438 -0.179 -11.441 1.00 0.00 C ATOM 333 O ARG A 24 0.030 0.971 -11.274 1.00 0.00 O ATOM 334 CB ARG A 24 1.653 -0.822 -13.530 1.00 0.00 C ATOM 335 CG ARG A 24 0.463 -0.162 -14.207 1.00 0.00 C ATOM 336 CD ARG A 24 0.638 -0.110 -15.717 1.00 0.00 C ATOM 337 NE ARG A 24 -0.642 -0.006 -16.414 1.00 0.00 N ATOM 338 CZ ARG A 24 -0.753 0.093 -17.733 1.00 0.00 C ATOM 339 NH1 ARG A 24 0.331 0.100 -18.496 1.00 0.00 N ATOM 340 NH2 ARG A 24 -1.953 0.183 -18.293 1.00 0.00 N ATOM 0 H ARG A 24 2.536 -2.393 -11.816 1.00 0.00 H new ATOM 0 HA ARG A 24 2.401 0.471 -11.985 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.562 -0.549 -14.065 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.550 -1.904 -13.608 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.446 -0.712 -13.964 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.337 0.849 -13.819 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.264 0.743 -15.980 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.161 -1.005 -16.052 1.00 0.00 H new ATOM 0 HE ARG A 24 -1.496 -0.010 -15.857 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.255 0.029 -18.070 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.241 0.176 -19.509 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.790 0.176 -17.710 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -2.038 0.259 -19.307 1.00 0.00 H new ATOM 354 N LEU A 25 -0.268 -1.252 -11.103 1.00 0.00 N ATOM 355 CA LEU A 25 -1.594 -1.139 -10.505 1.00 0.00 C ATOM 356 C LEU A 25 -1.592 -0.126 -9.365 1.00 0.00 C ATOM 357 O LEU A 25 -2.642 0.381 -8.969 1.00 0.00 O ATOM 358 CB LEU A 25 -2.061 -2.502 -9.991 1.00 0.00 C ATOM 359 CG LEU A 25 -3.573 -2.702 -9.898 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.221 -2.517 -11.262 1.00 0.00 C ATOM 361 CD2 LEU A 25 -3.897 -4.078 -9.335 1.00 0.00 C ATOM 0 H LEU A 25 0.055 -2.211 -11.233 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.284 -0.792 -11.274 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.652 -3.273 -10.644 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.632 -2.661 -9.002 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.978 -1.950 -9.220 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.298 -2.663 -11.176 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.020 -1.510 -11.627 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.811 -3.245 -11.962 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -4.978 -4.202 -9.276 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.479 -4.845 -9.986 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.466 -4.174 -8.338 1.00 0.00 H new ATOM 373 N ALA A 26 -0.406 0.167 -8.843 1.00 0.00 N ATOM 374 CA ALA A 26 -0.267 1.123 -7.751 1.00 0.00 C ATOM 375 C ALA A 26 -0.096 2.542 -8.283 1.00 0.00 C ATOM 376 O ALA A 26 -0.734 3.477 -7.799 1.00 0.00 O ATOM 377 CB ALA A 26 0.911 0.744 -6.864 1.00 0.00 C ATOM 0 H ALA A 26 0.473 -0.244 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.180 1.093 -7.156 1.00 0.00 H new ATOM 0 HB1 ALA A 26 1.003 1.466 -6.053 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.748 -0.250 -6.448 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.827 0.744 -7.455 1.00 0.00 H new ATOM 383 N MET A 27 0.770 2.696 -9.278 1.00 0.00 N ATOM 384 CA MET A 27 1.025 4.001 -9.875 1.00 0.00 C ATOM 385 C MET A 27 -0.269 4.626 -10.389 1.00 0.00 C ATOM 386 O MET A 27 -0.393 5.848 -10.461 1.00 0.00 O ATOM 387 CB MET A 27 2.033 3.876 -11.019 1.00 0.00 C ATOM 388 CG MET A 27 1.437 3.302 -12.294 1.00 0.00 C ATOM 389 SD MET A 27 2.262 3.907 -13.779 1.00 0.00 S ATOM 390 CE MET A 27 3.419 2.576 -14.090 1.00 0.00 C ATOM 0 H MET A 27 1.308 1.933 -9.688 1.00 0.00 H new ATOM 0 HA MET A 27 1.441 4.649 -9.104 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.450 4.860 -11.234 1.00 0.00 H new ATOM 0 HB3 MET A 27 2.859 3.242 -10.697 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.503 2.214 -12.264 1.00 0.00 H new ATOM 0 HG3 MET A 27 0.378 3.556 -12.342 1.00 0.00 H new ATOM 0 HE1 MET A 27 4.185 2.915 -14.788 1.00 0.00 H new ATOM 0 HE2 MET A 27 3.889 2.276 -13.153 1.00 0.00 H new ATOM 0 HE3 MET A 27 2.889 1.726 -14.518 1.00 0.00 H new ATOM 400 N GLU A 28 -1.229 3.777 -10.745 1.00 0.00 N ATOM 401 CA GLU A 28 -2.513 4.247 -11.253 1.00 0.00 C ATOM 402 C GLU A 28 -3.444 4.632 -10.107 1.00 0.00 C ATOM 403 O GLU A 28 -4.235 5.567 -10.222 1.00 0.00 O ATOM 404 CB GLU A 28 -3.169 3.170 -12.119 1.00 0.00 C ATOM 405 CG GLU A 28 -2.378 2.830 -13.371 1.00 0.00 C ATOM 406 CD GLU A 28 -2.603 3.825 -14.492 1.00 0.00 C ATOM 407 OE1 GLU A 28 -2.913 4.997 -14.193 1.00 0.00 O ATOM 408 OE2 GLU A 28 -2.468 3.431 -15.669 1.00 0.00 O ATOM 0 H GLU A 28 -1.142 2.762 -10.691 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.332 5.132 -11.863 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -3.298 2.266 -11.524 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -4.165 3.505 -12.409 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.316 2.797 -13.127 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -2.658 1.834 -13.713 1.00 0.00 H new ATOM 415 N ASN A 29 -3.343 3.901 -9.001 1.00 0.00 N ATOM 416 CA ASN A 29 -4.177 4.164 -7.833 1.00 0.00 C ATOM 417 C ASN A 29 -3.395 4.924 -6.766 1.00 0.00 C ATOM 418 O ASN A 29 -3.834 5.036 -5.623 1.00 0.00 O ATOM 419 CB ASN A 29 -4.708 2.851 -7.254 1.00 0.00 C ATOM 420 CG ASN A 29 -5.807 2.246 -8.106 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.920 2.768 -8.165 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.499 1.137 -8.770 1.00 0.00 N ATOM 0 H ASN A 29 -2.693 3.123 -8.889 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.018 4.781 -8.149 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.888 2.139 -7.164 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.088 3.028 -6.248 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -6.198 0.684 -9.358 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.563 0.739 -8.692 1.00 0.00 H new ATOM 429 N ASN A 30 -2.233 5.445 -7.149 1.00 0.00 N ATOM 430 CA ASN A 30 -1.390 6.194 -6.226 1.00 0.00 C ATOM 431 C ASN A 30 -1.273 5.472 -4.887 1.00 0.00 C ATOM 432 O ASN A 30 -1.318 6.097 -3.828 1.00 0.00 O ATOM 433 CB ASN A 30 -1.957 7.600 -6.012 1.00 0.00 C ATOM 434 CG ASN A 30 -3.419 7.579 -5.611 1.00 0.00 C ATOM 435 OD1 ASN A 30 -4.301 7.385 -6.447 1.00 0.00 O ATOM 436 ND2 ASN A 30 -3.683 7.778 -4.325 1.00 0.00 N ATOM 0 H ASN A 30 -1.855 5.362 -8.093 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.395 6.273 -6.664 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -1.379 8.108 -5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.843 8.178 -6.929 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -4.648 7.774 -3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -2.920 7.935 -3.666 1.00 0.00 H new ATOM 443 N ILE A 31 -1.121 4.153 -4.945 1.00 0.00 N ATOM 444 CA ILE A 31 -0.996 3.346 -3.738 1.00 0.00 C ATOM 445 C ILE A 31 0.469 3.093 -3.396 1.00 0.00 C ATOM 446 O ILE A 31 1.297 2.880 -4.281 1.00 0.00 O ATOM 447 CB ILE A 31 -1.717 1.993 -3.887 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.196 2.212 -4.210 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.562 1.167 -2.618 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.983 0.927 -4.345 1.00 0.00 C ATOM 0 H ILE A 31 -1.082 3.621 -5.814 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.464 3.910 -2.931 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.262 1.444 -4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.644 2.822 -3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.277 2.777 -5.139 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.077 0.214 -2.739 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.504 0.986 -2.428 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.994 1.708 -1.776 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.023 1.160 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.560 0.324 -5.149 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.934 0.370 -3.409 1.00 0.00 H new ATOM 462 N LYS A 32 0.780 3.117 -2.104 1.00 0.00 N ATOM 463 CA LYS A 32 2.145 2.887 -1.642 1.00 0.00 C ATOM 464 C LYS A 32 2.418 1.396 -1.471 1.00 0.00 C ATOM 465 O LYS A 32 1.993 0.786 -0.489 1.00 0.00 O ATOM 466 CB LYS A 32 2.386 3.616 -0.318 1.00 0.00 C ATOM 467 CG LYS A 32 2.495 5.124 -0.465 1.00 0.00 C ATOM 468 CD LYS A 32 1.139 5.797 -0.332 1.00 0.00 C ATOM 469 CE LYS A 32 0.811 6.110 1.119 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.351 7.032 1.239 1.00 0.00 N ATOM 0 H LYS A 32 0.106 3.293 -1.359 1.00 0.00 H new ATOM 0 HA LYS A 32 2.828 3.279 -2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.571 3.384 0.368 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.302 3.236 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.173 5.516 0.293 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.928 5.365 -1.436 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.130 6.718 -0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.368 5.149 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.595 5.183 1.650 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.681 6.558 1.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.542 7.220 2.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.136 7.926 0.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.188 6.594 0.803 1.00 0.00 H new ATOM 484 N LEU A 33 3.130 0.816 -2.430 1.00 0.00 N ATOM 485 CA LEU A 33 3.461 -0.604 -2.385 1.00 0.00 C ATOM 486 C LEU A 33 3.941 -1.007 -0.994 1.00 0.00 C ATOM 487 O LEU A 33 3.394 -1.923 -0.379 1.00 0.00 O ATOM 488 CB LEU A 33 4.536 -0.930 -3.423 1.00 0.00 C ATOM 489 CG LEU A 33 4.030 -1.365 -4.799 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.178 -1.893 -5.646 1.00 0.00 C ATOM 491 CD2 LEU A 33 2.941 -2.417 -4.659 1.00 0.00 C ATOM 0 H LEU A 33 3.490 1.307 -3.249 1.00 0.00 H new ATOM 0 HA LEU A 33 2.559 -1.170 -2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.167 -0.051 -3.551 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.170 -1.722 -3.024 1.00 0.00 H new ATOM 0 HG LEU A 33 3.604 -0.496 -5.300 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.800 -2.198 -6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.925 -1.110 -5.775 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.633 -2.750 -5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.593 -2.714 -5.648 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.340 -3.287 -4.138 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.108 -2.005 -4.090 1.00 0.00 H new ATOM 503 N SER A 34 4.965 -0.315 -0.504 1.00 0.00 N ATOM 504 CA SER A 34 5.520 -0.602 0.814 1.00 0.00 C ATOM 505 C SER A 34 4.413 -0.697 1.860 1.00 0.00 C ATOM 506 O SER A 34 4.490 -1.501 2.789 1.00 0.00 O ATOM 507 CB SER A 34 6.524 0.480 1.214 1.00 0.00 C ATOM 508 OG SER A 34 6.954 0.307 2.553 1.00 0.00 O ATOM 0 H SER A 34 5.427 0.448 -0.999 1.00 0.00 H new ATOM 0 HA SER A 34 6.033 -1.563 0.764 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.384 0.447 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 34 6.068 1.464 1.099 1.00 0.00 H new ATOM 0 HG SER A 34 7.596 1.010 2.784 1.00 0.00 H new ATOM 514 N GLU A 35 3.385 0.131 1.702 1.00 0.00 N ATOM 515 CA GLU A 35 2.263 0.140 2.633 1.00 0.00 C ATOM 516 C GLU A 35 1.330 -1.039 2.375 1.00 0.00 C ATOM 517 O GLU A 35 0.588 -1.464 3.260 1.00 0.00 O ATOM 518 CB GLU A 35 1.487 1.454 2.518 1.00 0.00 C ATOM 519 CG GLU A 35 2.332 2.687 2.790 1.00 0.00 C ATOM 520 CD GLU A 35 2.979 2.660 4.161 1.00 0.00 C ATOM 521 OE1 GLU A 35 4.067 2.061 4.291 1.00 0.00 O ATOM 522 OE2 GLU A 35 2.398 3.236 5.104 1.00 0.00 O ATOM 0 H GLU A 35 3.306 0.803 0.939 1.00 0.00 H new ATOM 0 HA GLU A 35 2.662 0.049 3.643 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.062 1.529 1.517 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.652 1.435 3.218 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.107 2.767 2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.708 3.577 2.704 1.00 0.00 H new ATOM 529 N VAL A 36 1.374 -1.563 1.154 1.00 0.00 N ATOM 530 CA VAL A 36 0.533 -2.694 0.777 1.00 0.00 C ATOM 531 C VAL A 36 1.035 -3.986 1.410 1.00 0.00 C ATOM 532 O VAL A 36 2.180 -4.389 1.203 1.00 0.00 O ATOM 533 CB VAL A 36 0.483 -2.870 -0.752 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.421 -4.035 -1.126 1.00 0.00 C ATOM 535 CG2 VAL A 36 0.016 -1.587 -1.422 1.00 0.00 C ATOM 0 H VAL A 36 1.982 -1.223 0.409 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.471 -2.479 1.144 1.00 0.00 H new ATOM 0 HB VAL A 36 1.489 -3.092 -1.107 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.444 -4.144 -2.210 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.038 -4.951 -0.677 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.430 -3.845 -0.759 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.013 -1.730 -2.502 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.981 -1.331 -1.063 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.707 -0.779 -1.182 1.00 0.00 H new ATOM 545 N VAL A 37 0.170 -4.634 2.185 1.00 0.00 N ATOM 546 CA VAL A 37 0.524 -5.883 2.849 1.00 0.00 C ATOM 547 C VAL A 37 0.662 -7.020 1.842 1.00 0.00 C ATOM 548 O VAL A 37 -0.333 -7.578 1.381 1.00 0.00 O ATOM 549 CB VAL A 37 -0.525 -6.273 3.908 1.00 0.00 C ATOM 550 CG1 VAL A 37 -0.140 -7.580 4.584 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.686 -5.160 4.932 1.00 0.00 C ATOM 0 H VAL A 37 -0.781 -4.314 2.368 1.00 0.00 H new ATOM 0 HA VAL A 37 1.482 -5.720 3.342 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.484 -6.418 3.410 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.892 -7.840 5.329 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -0.080 -8.372 3.837 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.829 -7.466 5.071 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.431 -5.452 5.673 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.268 -4.981 5.428 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.011 -4.248 4.431 1.00 0.00 H new ATOM 561 N GLY A 38 1.903 -7.359 1.508 1.00 0.00 N ATOM 562 CA GLY A 38 2.148 -8.429 0.558 1.00 0.00 C ATOM 563 C GLY A 38 1.662 -9.773 1.062 1.00 0.00 C ATOM 564 O GLY A 38 1.548 -9.988 2.268 1.00 0.00 O ATOM 0 H GLY A 38 2.742 -6.913 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.651 -8.196 -0.384 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.216 -8.487 0.348 1.00 0.00 H new ATOM 627 N ARG A 44 6.451 -10.953 -1.208 1.00 0.00 N ATOM 628 CA ARG A 44 6.010 -10.792 -2.589 1.00 0.00 C ATOM 629 C ARG A 44 4.553 -10.341 -2.644 1.00 0.00 C ATOM 630 O ARG A 44 3.647 -11.094 -2.288 1.00 0.00 O ATOM 631 CB ARG A 44 6.180 -12.102 -3.357 1.00 0.00 C ATOM 632 CG ARG A 44 5.691 -12.033 -4.795 1.00 0.00 C ATOM 633 CD ARG A 44 5.775 -13.389 -5.479 1.00 0.00 C ATOM 634 NE ARG A 44 7.154 -13.848 -5.616 1.00 0.00 N ATOM 635 CZ ARG A 44 7.504 -14.929 -6.304 1.00 0.00 C ATOM 636 NH1 ARG A 44 6.580 -15.659 -6.913 1.00 0.00 N ATOM 637 NH2 ARG A 44 8.780 -15.283 -6.383 1.00 0.00 N ATOM 0 HA ARG A 44 6.628 -10.024 -3.055 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.234 -12.381 -3.353 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.639 -12.892 -2.836 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.660 -11.679 -4.813 1.00 0.00 H new ATOM 0 HG3 ARG A 44 6.287 -11.308 -5.349 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.205 -14.120 -4.906 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.314 -13.327 -6.465 1.00 0.00 H new ATOM 0 HE ARG A 44 7.889 -13.309 -5.158 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.598 -15.391 -6.854 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.851 -16.489 -7.441 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.494 -14.725 -5.915 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.047 -16.113 -6.912 1.00 0.00 H new ATOM 651 N ILE A 45 4.338 -9.110 -3.094 1.00 0.00 N ATOM 652 CA ILE A 45 2.991 -8.560 -3.197 1.00 0.00 C ATOM 653 C ILE A 45 2.320 -8.991 -4.496 1.00 0.00 C ATOM 654 O ILE A 45 2.897 -8.868 -5.578 1.00 0.00 O ATOM 655 CB ILE A 45 3.004 -7.022 -3.126 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.812 -6.552 -1.913 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.583 -6.482 -3.063 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.481 -5.212 -2.116 1.00 0.00 C ATOM 0 H ILE A 45 5.078 -8.475 -3.393 1.00 0.00 H new ATOM 0 HA ILE A 45 2.425 -8.950 -2.351 1.00 0.00 H new ATOM 0 HB ILE A 45 3.479 -6.636 -4.028 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.152 -6.492 -1.048 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.573 -7.298 -1.682 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.609 -5.393 -3.013 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.036 -6.791 -3.954 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.084 -6.874 -2.177 1.00 0.00 H new ATOM 0 HD11 ILE A 45 5.035 -4.942 -1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 45 5.167 -5.272 -2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.724 -4.454 -2.317 1.00 0.00 H new ATOM 670 N LEU A 46 1.095 -9.496 -4.385 1.00 0.00 N ATOM 671 CA LEU A 46 0.342 -9.943 -5.551 1.00 0.00 C ATOM 672 C LEU A 46 -0.659 -8.881 -5.994 1.00 0.00 C ATOM 673 O LEU A 46 -0.817 -7.851 -5.339 1.00 0.00 O ATOM 674 CB LEU A 46 -0.389 -11.250 -5.240 1.00 0.00 C ATOM 675 CG LEU A 46 0.443 -12.339 -4.559 1.00 0.00 C ATOM 676 CD1 LEU A 46 -0.428 -13.535 -4.206 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.599 -12.763 -5.452 1.00 0.00 C ATOM 0 H LEU A 46 0.603 -9.606 -3.498 1.00 0.00 H new ATOM 0 HA LEU A 46 1.047 -10.112 -6.364 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.244 -11.022 -4.603 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.784 -11.653 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 46 0.854 -11.931 -3.636 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.181 -14.299 -3.723 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.221 -13.220 -3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.870 -13.944 -5.115 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.180 -13.538 -4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.209 -13.152 -6.392 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.238 -11.903 -5.653 1.00 0.00 H new ATOM 689 N LYS A 47 -1.334 -9.140 -7.109 1.00 0.00 N ATOM 690 CA LYS A 47 -2.323 -8.209 -7.639 1.00 0.00 C ATOM 691 C LYS A 47 -3.523 -8.101 -6.704 1.00 0.00 C ATOM 692 O LYS A 47 -4.084 -7.021 -6.524 1.00 0.00 O ATOM 693 CB LYS A 47 -2.782 -8.657 -9.027 1.00 0.00 C ATOM 694 CG LYS A 47 -3.673 -7.647 -9.730 1.00 0.00 C ATOM 695 CD LYS A 47 -3.906 -8.023 -11.184 1.00 0.00 C ATOM 696 CE LYS A 47 -5.148 -7.347 -11.742 1.00 0.00 C ATOM 697 NZ LYS A 47 -5.490 -7.851 -13.101 1.00 0.00 N ATOM 0 H LYS A 47 -1.214 -9.988 -7.663 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.857 -7.227 -7.718 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.905 -8.848 -9.646 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.319 -9.601 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.630 -7.583 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.216 -6.659 -9.678 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.038 -7.738 -11.778 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.010 -9.105 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.988 -7.518 -11.069 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.987 -6.270 -11.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.342 -7.366 -13.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.699 -7.665 -13.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.668 -8.875 -13.057 1.00 0.00 H new ATOM 711 N GLU A 48 -3.911 -9.226 -6.112 1.00 0.00 N ATOM 712 CA GLU A 48 -5.044 -9.255 -5.196 1.00 0.00 C ATOM 713 C GLU A 48 -4.806 -8.331 -4.004 1.00 0.00 C ATOM 714 O GLU A 48 -5.750 -7.809 -3.412 1.00 0.00 O ATOM 715 CB GLU A 48 -5.296 -10.683 -4.706 1.00 0.00 C ATOM 716 CG GLU A 48 -4.046 -11.379 -4.192 1.00 0.00 C ATOM 717 CD GLU A 48 -4.325 -12.783 -3.692 1.00 0.00 C ATOM 718 OE1 GLU A 48 -4.959 -13.562 -4.434 1.00 0.00 O ATOM 719 OE2 GLU A 48 -3.911 -13.102 -2.559 1.00 0.00 O ATOM 0 H GLU A 48 -3.457 -10.129 -6.251 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.923 -8.903 -5.736 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -6.042 -10.659 -3.911 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.719 -11.269 -5.522 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.304 -11.422 -4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.612 -10.789 -3.385 1.00 0.00 H new ATOM 726 N ASP A 49 -3.538 -8.136 -3.661 1.00 0.00 N ATOM 727 CA ASP A 49 -3.173 -7.275 -2.542 1.00 0.00 C ATOM 728 C ASP A 49 -3.606 -5.836 -2.799 1.00 0.00 C ATOM 729 O ASP A 49 -4.221 -5.199 -1.944 1.00 0.00 O ATOM 730 CB ASP A 49 -1.664 -7.332 -2.297 1.00 0.00 C ATOM 731 CG ASP A 49 -1.235 -8.619 -1.622 1.00 0.00 C ATOM 732 OD1 ASP A 49 -2.087 -9.261 -0.972 1.00 0.00 O ATOM 733 OD2 ASP A 49 -0.047 -8.984 -1.742 1.00 0.00 O ATOM 0 H ASP A 49 -2.746 -8.562 -4.141 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.691 -7.637 -1.654 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.141 -7.232 -3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.367 -6.485 -1.679 1.00 0.00 H new ATOM 738 N ILE A 50 -3.280 -5.328 -3.983 1.00 0.00 N ATOM 739 CA ILE A 50 -3.635 -3.964 -4.353 1.00 0.00 C ATOM 740 C ILE A 50 -5.124 -3.709 -4.151 1.00 0.00 C ATOM 741 O ILE A 50 -5.518 -2.726 -3.522 1.00 0.00 O ATOM 742 CB ILE A 50 -3.269 -3.664 -5.819 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.765 -3.846 -6.040 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.699 -2.254 -6.195 1.00 0.00 C ATOM 745 CD1 ILE A 50 -0.943 -2.655 -5.600 1.00 0.00 C ATOM 0 H ILE A 50 -2.770 -5.841 -4.702 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.064 -3.303 -3.702 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.799 -4.367 -6.461 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.430 -4.730 -5.497 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.581 -4.034 -7.098 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.433 -2.057 -7.234 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.778 -2.158 -6.072 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.194 -1.535 -5.549 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.113 -2.853 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.251 -1.773 -6.161 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.098 -2.480 -4.535 1.00 0.00 H new ATOM 757 N LEU A 51 -5.949 -4.603 -4.686 1.00 0.00 N ATOM 758 CA LEU A 51 -7.398 -4.476 -4.563 1.00 0.00 C ATOM 759 C LEU A 51 -7.826 -4.527 -3.100 1.00 0.00 C ATOM 760 O LEU A 51 -8.942 -4.139 -2.757 1.00 0.00 O ATOM 761 CB LEU A 51 -8.095 -5.588 -5.350 1.00 0.00 C ATOM 762 CG LEU A 51 -8.045 -5.466 -6.873 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.460 -6.774 -7.527 1.00 0.00 C ATOM 764 CD2 LEU A 51 -8.933 -4.325 -7.347 1.00 0.00 C ATOM 0 H LEU A 51 -5.640 -5.423 -5.209 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.691 -3.510 -4.974 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.648 -6.541 -5.067 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.140 -5.623 -5.043 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.019 -5.246 -7.167 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.418 -6.668 -8.611 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.783 -7.568 -7.214 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.477 -7.025 -7.226 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.885 -4.254 -8.434 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -9.962 -4.514 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.589 -3.389 -6.906 1.00 0.00 H new ATOM 776 N ASN A 52 -6.931 -5.005 -2.243 1.00 0.00 N ATOM 777 CA ASN A 52 -7.215 -5.105 -0.817 1.00 0.00 C ATOM 778 C ASN A 52 -6.782 -3.838 -0.085 1.00 0.00 C ATOM 779 O ASN A 52 -7.359 -3.471 0.938 1.00 0.00 O ATOM 780 CB ASN A 52 -6.507 -6.321 -0.217 1.00 0.00 C ATOM 781 CG ASN A 52 -7.072 -7.632 -0.729 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.227 -7.699 -1.150 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.257 -8.679 -0.698 1.00 0.00 N ATOM 0 H ASN A 52 -6.002 -5.329 -2.512 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.292 -5.224 -0.695 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.444 -6.271 -0.452 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.596 -6.290 0.869 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -6.580 -9.587 -1.032 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.307 -8.576 -0.340 1.00 0.00 H new ATOM 790 N TYR A 53 -5.763 -3.173 -0.618 1.00 0.00 N ATOM 791 CA TYR A 53 -5.251 -1.948 -0.016 1.00 0.00 C ATOM 792 C TYR A 53 -6.201 -0.781 -0.264 1.00 0.00 C ATOM 793 O TYR A 53 -6.220 0.192 0.492 1.00 0.00 O ATOM 794 CB TYR A 53 -3.866 -1.621 -0.577 1.00 0.00 C ATOM 795 CG TYR A 53 -3.347 -0.264 -0.154 1.00 0.00 C ATOM 796 CD1 TYR A 53 -3.905 0.902 -0.660 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.298 -0.151 0.750 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.435 2.144 -0.277 1.00 0.00 C ATOM 799 CE2 TYR A 53 -1.822 1.086 1.140 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.393 2.230 0.624 1.00 0.00 C ATOM 801 OH TYR A 53 -1.920 3.464 1.008 1.00 0.00 O ATOM 0 H TYR A 53 -5.275 -3.462 -1.466 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.173 -2.106 1.060 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.162 -2.387 -0.253 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -3.905 -1.663 -1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.720 0.838 -1.365 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -1.847 -1.045 1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.880 3.042 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.007 1.156 1.845 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.186 3.349 1.647 1.00 0.00 H new ATOM 811 N LEU A 54 -6.990 -0.885 -1.328 1.00 0.00 N ATOM 812 CA LEU A 54 -7.945 0.162 -1.676 1.00 0.00 C ATOM 813 C LEU A 54 -9.173 0.101 -0.773 1.00 0.00 C ATOM 814 O LEU A 54 -9.656 1.129 -0.298 1.00 0.00 O ATOM 815 CB LEU A 54 -8.368 0.026 -3.141 1.00 0.00 C ATOM 816 CG LEU A 54 -7.356 0.512 -4.179 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.754 0.046 -5.571 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.233 2.027 -4.136 1.00 0.00 C ATOM 0 H LEU A 54 -6.988 -1.682 -1.964 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.458 1.127 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.587 -1.023 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.297 0.578 -3.283 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.383 0.083 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -7.022 0.401 -6.297 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.789 -1.043 -5.594 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.737 0.446 -5.821 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.508 2.355 -4.882 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.202 2.477 -4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -6.900 2.337 -3.146 1.00 0.00 H new ATOM 830 N GLU A 55 -9.671 -1.109 -0.540 1.00 0.00 N ATOM 831 CA GLU A 55 -10.841 -1.302 0.308 1.00 0.00 C ATOM 832 C GLU A 55 -10.576 -0.801 1.724 1.00 0.00 C ATOM 833 O GLU A 55 -11.499 -0.418 2.444 1.00 0.00 O ATOM 834 CB GLU A 55 -11.234 -2.781 0.344 1.00 0.00 C ATOM 835 CG GLU A 55 -10.286 -3.643 1.161 1.00 0.00 C ATOM 836 CD GLU A 55 -10.971 -4.852 1.766 1.00 0.00 C ATOM 837 OE1 GLU A 55 -12.186 -4.770 2.043 1.00 0.00 O ATOM 838 OE2 GLU A 55 -10.292 -5.882 1.962 1.00 0.00 O ATOM 0 H GLU A 55 -9.283 -1.970 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.663 -0.725 -0.115 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.239 -2.871 0.755 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.271 -3.163 -0.676 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -9.465 -3.975 0.526 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.849 -3.041 1.958 1.00 0.00 H new