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 -170:sc= -0.438 USER MOD Single : A 27 MET CE :methyl -124:sc= -0.501 (180deg=-1.44!) USER MOD Single : A 29 ASN : amide:sc= 1.23 K(o=1.2,f=-0.0031) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.1) 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+ -136:sc= 0 (180deg=-0.911) USER MOD Single : A 52 ASN : amide:sc= -0.0593 K(o=-0.059,f=-1.7!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 223 N LEU A 17 9.181 -6.390 -2.794 1.00 0.00 N ATOM 224 CA LEU A 17 8.985 -7.247 -3.958 1.00 0.00 C ATOM 225 C LEU A 17 7.545 -7.171 -4.454 1.00 0.00 C ATOM 226 O LEU A 17 6.604 -7.147 -3.661 1.00 0.00 O ATOM 227 CB LEU A 17 9.341 -8.695 -3.616 1.00 0.00 C ATOM 228 CG LEU A 17 10.795 -9.103 -3.859 1.00 0.00 C ATOM 229 CD1 LEU A 17 11.636 -8.853 -2.616 1.00 0.00 C ATOM 230 CD2 LEU A 17 10.876 -10.565 -4.274 1.00 0.00 C ATOM 0 HA LEU A 17 9.643 -6.894 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 17 9.107 -8.868 -2.566 1.00 0.00 H new ATOM 0 HB3 LEU A 17 8.697 -9.354 -4.199 1.00 0.00 H new ATOM 0 HG LEU A 17 11.192 -8.492 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.667 -9.149 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.604 -7.793 -2.362 1.00 0.00 H new ATOM 0 HD13 LEU A 17 11.240 -9.437 -1.785 1.00 0.00 H new ATOM 0 HD21 LEU A 17 11.918 -10.838 -4.443 1.00 0.00 H new ATOM 0 HD22 LEU A 17 10.460 -11.191 -3.484 1.00 0.00 H new ATOM 0 HD23 LEU A 17 10.308 -10.714 -5.192 1.00 0.00 H new ATOM 242 N ALA A 18 7.380 -7.134 -5.773 1.00 0.00 N ATOM 243 CA ALA A 18 6.054 -7.064 -6.375 1.00 0.00 C ATOM 244 C ALA A 18 6.136 -7.161 -7.895 1.00 0.00 C ATOM 245 O ALA A 18 6.817 -6.366 -8.543 1.00 0.00 O ATOM 246 CB ALA A 18 5.354 -5.778 -5.964 1.00 0.00 C ATOM 0 H ALA A 18 8.148 -7.151 -6.444 1.00 0.00 H new ATOM 0 HA ALA A 18 5.473 -7.912 -6.013 1.00 0.00 H new ATOM 0 HB1 ALA A 18 4.365 -5.740 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 18 5.254 -5.749 -4.879 1.00 0.00 H new ATOM 0 HB3 ALA A 18 5.941 -4.922 -6.297 1.00 0.00 H new ATOM 252 N THR A 19 5.440 -8.143 -8.459 1.00 0.00 N ATOM 253 CA THR A 19 5.435 -8.346 -9.903 1.00 0.00 C ATOM 254 C THR A 19 5.386 -7.016 -10.644 1.00 0.00 C ATOM 255 O THR A 19 5.010 -5.982 -10.090 1.00 0.00 O ATOM 256 CB THR A 19 4.241 -9.212 -10.344 1.00 0.00 C ATOM 257 OG1 THR A 19 3.140 -9.023 -9.448 1.00 0.00 O ATOM 258 CG2 THR A 19 4.623 -10.684 -10.383 1.00 0.00 C ATOM 0 H THR A 19 4.872 -8.811 -7.938 1.00 0.00 H new ATOM 0 HA THR A 19 6.361 -8.864 -10.153 1.00 0.00 H new ATOM 0 HB THR A 19 3.949 -8.903 -11.348 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.446 -9.688 -9.638 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.763 -11.275 -10.697 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.441 -10.829 -11.089 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.940 -11.004 -9.390 1.00 0.00 H new ATOM 266 N PRO A 20 5.771 -7.038 -11.929 1.00 0.00 N ATOM 267 CA PRO A 20 5.779 -5.841 -12.774 1.00 0.00 C ATOM 268 C PRO A 20 4.371 -5.356 -13.105 1.00 0.00 C ATOM 269 O PRO A 20 4.123 -4.154 -13.189 1.00 0.00 O ATOM 270 CB PRO A 20 6.495 -6.308 -14.044 1.00 0.00 C ATOM 271 CG PRO A 20 6.269 -7.780 -14.086 1.00 0.00 C ATOM 272 CD PRO A 20 6.231 -8.235 -12.654 1.00 0.00 C ATOM 0 HA PRO A 20 6.262 -4.997 -12.281 1.00 0.00 H new ATOM 0 HB2 PRO A 20 6.089 -5.820 -14.930 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.558 -6.071 -14.009 1.00 0.00 H new ATOM 0 HG2 PRO A 20 5.335 -8.017 -14.595 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.067 -8.282 -14.634 1.00 0.00 H new ATOM 0 HD2 PRO A 20 5.550 -9.075 -12.517 1.00 0.00 H new ATOM 0 HD3 PRO A 20 7.212 -8.561 -12.310 1.00 0.00 H new ATOM 280 N ALA A 21 3.454 -6.300 -13.290 1.00 0.00 N ATOM 281 CA ALA A 21 2.071 -5.968 -13.607 1.00 0.00 C ATOM 282 C ALA A 21 1.366 -5.341 -12.409 1.00 0.00 C ATOM 283 O ALA A 21 0.445 -4.540 -12.566 1.00 0.00 O ATOM 284 CB ALA A 21 1.323 -7.209 -14.071 1.00 0.00 C ATOM 0 H ALA A 21 3.644 -7.300 -13.226 1.00 0.00 H new ATOM 0 HA ALA A 21 2.077 -5.236 -14.415 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.291 -6.946 -14.304 1.00 0.00 H new ATOM 0 HB2 ALA A 21 1.805 -7.613 -14.962 1.00 0.00 H new ATOM 0 HB3 ALA A 21 1.336 -7.959 -13.280 1.00 0.00 H new ATOM 290 N VAL A 22 1.806 -5.712 -11.210 1.00 0.00 N ATOM 291 CA VAL A 22 1.218 -5.186 -9.984 1.00 0.00 C ATOM 292 C VAL A 22 1.837 -3.843 -9.610 1.00 0.00 C ATOM 293 O VAL A 22 1.153 -2.952 -9.105 1.00 0.00 O ATOM 294 CB VAL A 22 1.397 -6.166 -8.810 1.00 0.00 C ATOM 295 CG1 VAL A 22 0.911 -5.539 -7.512 1.00 0.00 C ATOM 296 CG2 VAL A 22 0.665 -7.470 -9.089 1.00 0.00 C ATOM 0 H VAL A 22 2.567 -6.375 -11.062 1.00 0.00 H new ATOM 0 HA VAL A 22 0.153 -5.052 -10.176 1.00 0.00 H new ATOM 0 HB VAL A 22 2.459 -6.388 -8.703 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.045 -6.246 -6.694 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.484 -4.635 -7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.145 -5.286 -7.603 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.802 -8.151 -8.249 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.398 -7.269 -9.224 1.00 0.00 H new ATOM 0 HG23 VAL A 22 1.066 -7.926 -9.995 1.00 0.00 H new ATOM 306 N ARG A 23 3.135 -3.705 -9.861 1.00 0.00 N ATOM 307 CA ARG A 23 3.846 -2.471 -9.549 1.00 0.00 C ATOM 308 C ARG A 23 3.193 -1.279 -10.241 1.00 0.00 C ATOM 309 O ARG A 23 3.403 -0.130 -9.850 1.00 0.00 O ATOM 310 CB ARG A 23 5.311 -2.582 -9.975 1.00 0.00 C ATOM 311 CG ARG A 23 6.172 -3.363 -8.995 1.00 0.00 C ATOM 312 CD ARG A 23 7.576 -3.581 -9.537 1.00 0.00 C ATOM 313 NE ARG A 23 8.541 -3.833 -8.472 1.00 0.00 N ATOM 314 CZ ARG A 23 9.843 -3.992 -8.682 1.00 0.00 C ATOM 315 NH1 ARG A 23 10.332 -3.925 -9.913 1.00 0.00 N ATOM 316 NH2 ARG A 23 10.660 -4.218 -7.660 1.00 0.00 N ATOM 0 H ARG A 23 3.715 -4.432 -10.279 1.00 0.00 H new ATOM 0 HA ARG A 23 3.798 -2.315 -8.471 1.00 0.00 H new ATOM 0 HB2 ARG A 23 5.361 -3.062 -10.952 1.00 0.00 H new ATOM 0 HB3 ARG A 23 5.724 -1.580 -10.090 1.00 0.00 H new ATOM 0 HG2 ARG A 23 6.226 -2.826 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 23 5.707 -4.327 -8.789 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.571 -4.424 -10.228 1.00 0.00 H new ATOM 0 HD3 ARG A 23 7.885 -2.704 -10.106 1.00 0.00 H new ATOM 0 HE ARG A 23 8.197 -3.890 -7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 23 9.708 -3.751 -10.701 1.00 0.00 H new ATOM 0 HH12 ARG A 23 11.332 -4.047 -10.072 1.00 0.00 H new ATOM 0 HH21 ARG A 23 10.288 -4.270 -6.712 1.00 0.00 H new ATOM 0 HH22 ARG A 23 11.659 -4.340 -7.823 1.00 0.00 H new ATOM 330 N ARG A 24 2.402 -1.558 -11.272 1.00 0.00 N ATOM 331 CA ARG A 24 1.721 -0.508 -12.019 1.00 0.00 C ATOM 332 C ARG A 24 0.339 -0.232 -11.433 1.00 0.00 C ATOM 333 O ARG A 24 -0.086 0.919 -11.331 1.00 0.00 O ATOM 334 CB ARG A 24 1.592 -0.902 -13.491 1.00 0.00 C ATOM 335 CG ARG A 24 0.480 -0.169 -14.224 1.00 0.00 C ATOM 336 CD ARG A 24 0.709 -0.166 -15.727 1.00 0.00 C ATOM 337 NE ARG A 24 -0.546 -0.122 -16.472 1.00 0.00 N ATOM 338 CZ ARG A 24 -1.427 -1.117 -16.487 1.00 0.00 C ATOM 339 NH1 ARG A 24 -1.191 -2.227 -15.800 1.00 0.00 N ATOM 340 NH2 ARG A 24 -2.547 -1.003 -17.189 1.00 0.00 N ATOM 0 H ARG A 24 2.217 -2.503 -11.609 1.00 0.00 H new ATOM 0 HA ARG A 24 2.317 0.401 -11.944 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.538 -0.706 -13.995 1.00 0.00 H new ATOM 0 HB3 ARG A 24 1.413 -1.975 -13.556 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -0.477 -0.642 -14.002 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.420 0.857 -13.862 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.322 0.693 -15.998 1.00 0.00 H new ATOM 0 HD3 ARG A 24 1.268 -1.058 -16.010 1.00 0.00 H new ATOM 0 HE ARG A 24 -0.758 0.718 -17.010 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -0.332 -2.319 -15.258 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.869 -2.989 -15.813 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.733 -0.151 -17.718 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.222 -1.767 -17.200 1.00 0.00 H new ATOM 354 N LEU A 25 -0.358 -1.297 -11.049 1.00 0.00 N ATOM 355 CA LEU A 25 -1.693 -1.171 -10.474 1.00 0.00 C ATOM 356 C LEU A 25 -1.700 -0.156 -9.335 1.00 0.00 C ATOM 357 O LEU A 25 -2.752 0.364 -8.961 1.00 0.00 O ATOM 358 CB LEU A 25 -2.181 -2.529 -9.966 1.00 0.00 C ATOM 359 CG LEU A 25 -3.697 -2.715 -9.900 1.00 0.00 C ATOM 360 CD1 LEU A 25 -4.318 -2.530 -11.276 1.00 0.00 C ATOM 361 CD2 LEU A 25 -4.042 -4.086 -9.338 1.00 0.00 C ATOM 0 H LEU A 25 -0.021 -2.257 -11.126 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.367 -0.819 -11.255 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.767 -3.305 -10.610 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.771 -2.690 -8.969 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.108 -1.957 -9.233 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.397 -2.666 -11.209 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.101 -1.526 -11.641 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.902 -3.265 -11.965 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.125 -4.201 -9.298 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.618 -4.859 -9.979 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.630 -4.182 -8.333 1.00 0.00 H new ATOM 373 N ALA A 26 -0.522 0.121 -8.788 1.00 0.00 N ATOM 374 CA ALA A 26 -0.392 1.077 -7.695 1.00 0.00 C ATOM 375 C ALA A 26 -0.128 2.482 -8.222 1.00 0.00 C ATOM 376 O ALA A 26 -0.842 3.426 -7.883 1.00 0.00 O ATOM 377 CB ALA A 26 0.722 0.649 -6.750 1.00 0.00 C ATOM 0 H ALA A 26 0.357 -0.303 -9.084 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.334 1.094 -7.147 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.808 1.372 -5.938 1.00 0.00 H new ATOM 0 HB2 ALA A 26 0.492 -0.334 -6.338 1.00 0.00 H new ATOM 0 HB3 ALA A 26 1.664 0.602 -7.296 1.00 0.00 H new ATOM 383 N MET A 27 0.900 2.615 -9.055 1.00 0.00 N ATOM 384 CA MET A 27 1.256 3.907 -9.629 1.00 0.00 C ATOM 385 C MET A 27 0.044 4.566 -10.278 1.00 0.00 C ATOM 386 O MET A 27 -0.049 5.791 -10.340 1.00 0.00 O ATOM 387 CB MET A 27 2.374 3.740 -10.660 1.00 0.00 C ATOM 388 CG MET A 27 1.879 3.287 -12.025 1.00 0.00 C ATOM 389 SD MET A 27 3.140 3.437 -13.304 1.00 0.00 S ATOM 390 CE MET A 27 4.345 2.241 -12.735 1.00 0.00 C ATOM 0 H MET A 27 1.500 1.844 -9.347 1.00 0.00 H new ATOM 0 HA MET A 27 1.608 4.550 -8.823 1.00 0.00 H new ATOM 0 HB2 MET A 27 2.901 4.688 -10.770 1.00 0.00 H new ATOM 0 HB3 MET A 27 3.097 3.015 -10.286 1.00 0.00 H new ATOM 0 HG2 MET A 27 1.552 2.249 -11.963 1.00 0.00 H new ATOM 0 HG3 MET A 27 1.009 3.879 -12.307 1.00 0.00 H new ATOM 0 HE1 MET A 27 5.313 2.728 -12.616 1.00 0.00 H new ATOM 0 HE2 MET A 27 4.025 1.830 -11.777 1.00 0.00 H new ATOM 0 HE3 MET A 27 4.431 1.436 -13.465 1.00 0.00 H new ATOM 400 N GLU A 28 -0.883 3.744 -10.761 1.00 0.00 N ATOM 401 CA GLU A 28 -2.090 4.249 -11.408 1.00 0.00 C ATOM 402 C GLU A 28 -3.141 4.634 -10.371 1.00 0.00 C ATOM 403 O GLU A 28 -4.020 5.452 -10.637 1.00 0.00 O ATOM 404 CB GLU A 28 -2.661 3.199 -12.363 1.00 0.00 C ATOM 405 CG GLU A 28 -1.754 2.893 -13.543 1.00 0.00 C ATOM 406 CD GLU A 28 -1.978 3.835 -14.711 1.00 0.00 C ATOM 407 OE1 GLU A 28 -1.794 5.056 -14.532 1.00 0.00 O ATOM 408 OE2 GLU A 28 -2.339 3.349 -15.803 1.00 0.00 O ATOM 0 H GLU A 28 -0.822 2.727 -10.717 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.822 5.139 -11.977 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -2.846 2.279 -11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.625 3.545 -12.736 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.714 2.958 -13.223 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.924 1.867 -13.871 1.00 0.00 H new ATOM 415 N ASN A 29 -3.043 4.038 -9.187 1.00 0.00 N ATOM 416 CA ASN A 29 -3.986 4.318 -8.111 1.00 0.00 C ATOM 417 C ASN A 29 -3.290 5.015 -6.946 1.00 0.00 C ATOM 418 O ASN A 29 -3.817 5.067 -5.835 1.00 0.00 O ATOM 419 CB ASN A 29 -4.638 3.022 -7.627 1.00 0.00 C ATOM 420 CG ASN A 29 -5.662 2.487 -8.609 1.00 0.00 C ATOM 421 OD1 ASN A 29 -6.766 3.021 -8.725 1.00 0.00 O ATOM 422 ND2 ASN A 29 -5.300 1.428 -9.323 1.00 0.00 N ATOM 0 H ASN A 29 -2.320 3.359 -8.949 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.757 4.982 -8.501 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -3.867 2.269 -7.465 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -5.119 3.198 -6.665 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -5.947 1.024 -10.001 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.375 1.018 -9.194 1.00 0.00 H new ATOM 429 N ASN A 30 -2.103 5.553 -7.208 1.00 0.00 N ATOM 430 CA ASN A 30 -1.335 6.248 -6.182 1.00 0.00 C ATOM 431 C ASN A 30 -1.320 5.452 -4.881 1.00 0.00 C ATOM 432 O ASN A 30 -1.631 5.983 -3.814 1.00 0.00 O ATOM 433 CB ASN A 30 -1.917 7.641 -5.935 1.00 0.00 C ATOM 434 CG ASN A 30 -1.504 8.638 -7.001 1.00 0.00 C ATOM 435 OD1 ASN A 30 -1.179 8.261 -8.127 1.00 0.00 O ATOM 436 ND2 ASN A 30 -1.515 9.918 -6.649 1.00 0.00 N ATOM 0 H ASN A 30 -1.652 5.521 -8.122 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.309 6.349 -6.537 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -3.005 7.577 -5.903 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -1.590 8.000 -4.959 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.247 10.635 -7.323 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.792 10.185 -5.704 1.00 0.00 H new ATOM 443 N ILE A 31 -0.957 4.178 -4.977 1.00 0.00 N ATOM 444 CA ILE A 31 -0.901 3.310 -3.808 1.00 0.00 C ATOM 445 C ILE A 31 0.540 3.060 -3.377 1.00 0.00 C ATOM 446 O ILE A 31 1.423 2.853 -4.211 1.00 0.00 O ATOM 447 CB ILE A 31 -1.586 1.957 -4.076 1.00 0.00 C ATOM 448 CG1 ILE A 31 -3.086 2.156 -4.300 1.00 0.00 C ATOM 449 CG2 ILE A 31 -1.340 0.999 -2.920 1.00 0.00 C ATOM 450 CD1 ILE A 31 -3.827 0.873 -4.602 1.00 0.00 C ATOM 0 H ILE A 31 -0.697 3.724 -5.853 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.433 3.825 -3.008 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.157 1.522 -4.979 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.520 2.616 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.233 2.854 -5.125 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.831 0.048 -3.125 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.268 0.837 -2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.744 1.425 -2.002 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.885 1.090 -4.749 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -3.420 0.422 -5.507 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.711 0.181 -3.768 1.00 0.00 H new ATOM 462 N LYS A 32 0.774 3.080 -2.070 1.00 0.00 N ATOM 463 CA LYS A 32 2.107 2.853 -1.526 1.00 0.00 C ATOM 464 C LYS A 32 2.349 1.368 -1.278 1.00 0.00 C ATOM 465 O LYS A 32 1.934 0.823 -0.254 1.00 0.00 O ATOM 466 CB LYS A 32 2.290 3.635 -0.222 1.00 0.00 C ATOM 467 CG LYS A 32 2.341 5.140 -0.418 1.00 0.00 C ATOM 468 CD LYS A 32 0.949 5.747 -0.442 1.00 0.00 C ATOM 469 CE LYS A 32 1.003 7.263 -0.549 1.00 0.00 C ATOM 470 NZ LYS A 32 -0.338 7.850 -0.818 1.00 0.00 N ATOM 0 H LYS A 32 0.056 3.252 -1.366 1.00 0.00 H new ATOM 0 HA LYS A 32 2.834 3.204 -2.258 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.471 3.393 0.455 1.00 0.00 H new ATOM 0 HB3 LYS A 32 3.211 3.309 0.262 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.922 5.593 0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.855 5.369 -1.352 1.00 0.00 H new ATOM 0 HD2 LYS A 32 0.389 5.342 -1.285 1.00 0.00 H new ATOM 0 HD3 LYS A 32 0.412 5.464 0.463 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.402 7.678 0.377 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.690 7.546 -1.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.257 8.885 -0.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.708 7.474 -1.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -0.987 7.602 -0.044 1.00 0.00 H new ATOM 484 N LEU A 33 3.022 0.716 -2.220 1.00 0.00 N ATOM 485 CA LEU A 33 3.319 -0.706 -2.103 1.00 0.00 C ATOM 486 C LEU A 33 3.757 -1.056 -0.684 1.00 0.00 C ATOM 487 O LEU A 33 3.168 -1.923 -0.039 1.00 0.00 O ATOM 488 CB LEU A 33 4.412 -1.102 -3.097 1.00 0.00 C ATOM 489 CG LEU A 33 3.931 -1.584 -4.467 1.00 0.00 C ATOM 490 CD1 LEU A 33 5.094 -2.129 -5.280 1.00 0.00 C ATOM 491 CD2 LEU A 33 2.846 -2.639 -4.311 1.00 0.00 C ATOM 0 H LEU A 33 3.372 1.151 -3.074 1.00 0.00 H new ATOM 0 HA LEU A 33 2.409 -1.262 -2.331 1.00 0.00 H new ATOM 0 HB2 LEU A 33 5.068 -0.244 -3.246 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.015 -1.891 -2.648 1.00 0.00 H new ATOM 0 HG LEU A 33 3.508 -0.733 -5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.732 -2.467 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 33 5.837 -1.345 -5.423 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.547 -2.967 -4.750 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.516 -2.970 -5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.242 -3.489 -3.756 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.001 -2.214 -3.769 1.00 0.00 H new ATOM 503 N SER A 34 4.791 -0.375 -0.205 1.00 0.00 N ATOM 504 CA SER A 34 5.309 -0.615 1.138 1.00 0.00 C ATOM 505 C SER A 34 4.170 -0.733 2.146 1.00 0.00 C ATOM 506 O SER A 34 4.264 -1.482 3.118 1.00 0.00 O ATOM 507 CB SER A 34 6.255 0.514 1.552 1.00 0.00 C ATOM 508 OG SER A 34 6.627 0.393 2.914 1.00 0.00 O ATOM 0 H SER A 34 5.288 0.348 -0.726 1.00 0.00 H new ATOM 0 HA SER A 34 5.860 -1.555 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 34 7.146 0.494 0.925 1.00 0.00 H new ATOM 0 HB3 SER A 34 5.771 1.477 1.388 1.00 0.00 H new ATOM 0 HG SER A 34 7.233 1.125 3.154 1.00 0.00 H new ATOM 514 N GLU A 35 3.095 0.010 1.905 1.00 0.00 N ATOM 515 CA GLU A 35 1.937 -0.011 2.792 1.00 0.00 C ATOM 516 C GLU A 35 1.098 -1.264 2.561 1.00 0.00 C ATOM 517 O GLU A 35 0.495 -1.802 3.490 1.00 0.00 O ATOM 518 CB GLU A 35 1.080 1.237 2.577 1.00 0.00 C ATOM 519 CG GLU A 35 1.835 2.539 2.788 1.00 0.00 C ATOM 520 CD GLU A 35 2.358 2.687 4.204 1.00 0.00 C ATOM 521 OE1 GLU A 35 1.533 2.823 5.131 1.00 0.00 O ATOM 522 OE2 GLU A 35 3.593 2.666 4.384 1.00 0.00 O ATOM 0 H GLU A 35 3.001 0.634 1.103 1.00 0.00 H new ATOM 0 HA GLU A 35 2.299 -0.022 3.820 1.00 0.00 H new ATOM 0 HB2 GLU A 35 0.677 1.221 1.564 1.00 0.00 H new ATOM 0 HB3 GLU A 35 0.230 1.205 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 35 2.670 2.588 2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.178 3.377 2.558 1.00 0.00 H new ATOM 529 N VAL A 36 1.064 -1.725 1.314 1.00 0.00 N ATOM 530 CA VAL A 36 0.299 -2.915 0.961 1.00 0.00 C ATOM 531 C VAL A 36 0.947 -4.174 1.529 1.00 0.00 C ATOM 532 O VAL A 36 2.135 -4.420 1.324 1.00 0.00 O ATOM 533 CB VAL A 36 0.169 -3.064 -0.567 1.00 0.00 C ATOM 534 CG1 VAL A 36 -0.815 -4.172 -0.913 1.00 0.00 C ATOM 535 CG2 VAL A 36 -0.256 -1.746 -1.196 1.00 0.00 C ATOM 0 H VAL A 36 1.557 -1.293 0.533 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.694 -2.794 1.394 1.00 0.00 H new ATOM 0 HB VAL A 36 1.143 -3.336 -0.973 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.894 -4.263 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.463 -5.115 -0.494 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.793 -3.933 -0.496 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -0.343 -1.869 -2.276 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -1.219 -1.441 -0.787 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.489 -0.981 -0.977 1.00 0.00 H new ATOM 545 N VAL A 37 0.156 -4.967 2.245 1.00 0.00 N ATOM 546 CA VAL A 37 0.650 -6.201 2.842 1.00 0.00 C ATOM 547 C VAL A 37 0.830 -7.288 1.789 1.00 0.00 C ATOM 548 O VAL A 37 -0.126 -7.964 1.411 1.00 0.00 O ATOM 549 CB VAL A 37 -0.302 -6.716 3.938 1.00 0.00 C ATOM 550 CG1 VAL A 37 0.255 -7.977 4.581 1.00 0.00 C ATOM 551 CG2 VAL A 37 -0.543 -5.637 4.983 1.00 0.00 C ATOM 0 H VAL A 37 -0.830 -4.776 2.425 1.00 0.00 H new ATOM 0 HA VAL A 37 1.616 -5.970 3.290 1.00 0.00 H new ATOM 0 HB VAL A 37 -1.258 -6.964 3.477 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -0.431 -8.326 5.353 1.00 0.00 H new ATOM 0 HG12 VAL A 37 0.372 -8.751 3.823 1.00 0.00 H new ATOM 0 HG13 VAL A 37 1.224 -7.759 5.029 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.218 -6.017 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.405 -5.356 5.441 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.990 -4.764 4.508 1.00 0.00 H new ATOM 561 N GLY A 38 2.062 -7.453 1.319 1.00 0.00 N ATOM 562 CA GLY A 38 2.345 -8.459 0.314 1.00 0.00 C ATOM 563 C GLY A 38 2.072 -9.866 0.808 1.00 0.00 C ATOM 564 O GLY A 38 2.257 -10.162 1.989 1.00 0.00 O ATOM 0 H GLY A 38 2.870 -6.907 1.617 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.739 -8.264 -0.571 1.00 0.00 H new ATOM 0 HA3 GLY A 38 3.389 -8.380 0.010 1.00 0.00 H new ATOM 627 N ARG A 44 6.673 -10.661 -1.593 1.00 0.00 N ATOM 628 CA ARG A 44 6.210 -10.266 -2.918 1.00 0.00 C ATOM 629 C ARG A 44 4.717 -9.955 -2.903 1.00 0.00 C ATOM 630 O ARG A 44 3.895 -10.826 -2.611 1.00 0.00 O ATOM 631 CB ARG A 44 6.503 -11.372 -3.934 1.00 0.00 C ATOM 632 CG ARG A 44 5.786 -11.185 -5.261 1.00 0.00 C ATOM 633 CD ARG A 44 6.261 -12.191 -6.298 1.00 0.00 C ATOM 634 NE ARG A 44 7.576 -11.845 -6.832 1.00 0.00 N ATOM 635 CZ ARG A 44 8.098 -12.406 -7.917 1.00 0.00 C ATOM 636 NH1 ARG A 44 7.421 -13.333 -8.579 1.00 0.00 N ATOM 637 NH2 ARG A 44 9.300 -12.038 -8.342 1.00 0.00 N ATOM 0 HA ARG A 44 6.747 -9.363 -3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.577 -11.413 -4.114 1.00 0.00 H new ATOM 0 HB3 ARG A 44 6.214 -12.332 -3.507 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.711 -11.293 -5.113 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.957 -10.173 -5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.301 -13.183 -5.849 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.539 -12.239 -7.114 1.00 0.00 H new ATOM 0 HE ARG A 44 8.123 -11.134 -6.346 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.496 -13.618 -8.256 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.824 -13.762 -9.412 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.824 -11.324 -7.835 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.700 -12.469 -9.175 1.00 0.00 H new ATOM 651 N ILE A 45 4.373 -8.712 -3.219 1.00 0.00 N ATOM 652 CA ILE A 45 2.979 -8.287 -3.242 1.00 0.00 C ATOM 653 C ILE A 45 2.268 -8.803 -4.489 1.00 0.00 C ATOM 654 O ILE A 45 2.808 -8.742 -5.594 1.00 0.00 O ATOM 655 CB ILE A 45 2.856 -6.754 -3.191 1.00 0.00 C ATOM 656 CG1 ILE A 45 3.681 -6.192 -2.032 1.00 0.00 C ATOM 657 CG2 ILE A 45 1.397 -6.342 -3.057 1.00 0.00 C ATOM 658 CD1 ILE A 45 4.218 -4.802 -2.290 1.00 0.00 C ATOM 0 H ILE A 45 5.041 -7.981 -3.463 1.00 0.00 H new ATOM 0 HA ILE A 45 2.506 -8.710 -2.356 1.00 0.00 H new ATOM 0 HB ILE A 45 3.245 -6.343 -4.123 1.00 0.00 H new ATOM 0 HG12 ILE A 45 3.064 -6.173 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 45 4.516 -6.864 -1.832 1.00 0.00 H new ATOM 0 HG21 ILE A 45 1.328 -5.255 -3.022 1.00 0.00 H new ATOM 0 HG22 ILE A 45 0.834 -6.714 -3.913 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.983 -6.761 -2.140 1.00 0.00 H new ATOM 0 HD11 ILE A 45 4.793 -4.468 -1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.861 -4.818 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE A 45 3.387 -4.117 -2.460 1.00 0.00 H new ATOM 670 N LEU A 46 1.053 -9.308 -4.304 1.00 0.00 N ATOM 671 CA LEU A 46 0.266 -9.833 -5.415 1.00 0.00 C ATOM 672 C LEU A 46 -0.798 -8.830 -5.850 1.00 0.00 C ATOM 673 O LEU A 46 -1.062 -7.848 -5.155 1.00 0.00 O ATOM 674 CB LEU A 46 -0.393 -11.155 -5.019 1.00 0.00 C ATOM 675 CG LEU A 46 0.535 -12.217 -4.428 1.00 0.00 C ATOM 676 CD1 LEU A 46 -0.248 -13.473 -4.077 1.00 0.00 C ATOM 677 CD2 LEU A 46 1.661 -12.541 -5.399 1.00 0.00 C ATOM 0 H LEU A 46 0.592 -9.365 -3.396 1.00 0.00 H new ATOM 0 HA LEU A 46 0.939 -10.008 -6.255 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -1.179 -10.943 -4.294 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.878 -11.575 -5.900 1.00 0.00 H new ATOM 0 HG LEU A 46 0.975 -11.820 -3.513 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.428 -14.218 -3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.018 -13.229 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.716 -13.873 -4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.312 -13.298 -4.962 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.240 -12.918 -6.331 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.239 -11.639 -5.600 1.00 0.00 H new ATOM 689 N LYS A 47 -1.408 -9.085 -7.002 1.00 0.00 N ATOM 690 CA LYS A 47 -2.447 -8.207 -7.528 1.00 0.00 C ATOM 691 C LYS A 47 -3.613 -8.097 -6.551 1.00 0.00 C ATOM 692 O LYS A 47 -4.204 -7.030 -6.395 1.00 0.00 O ATOM 693 CB LYS A 47 -2.947 -8.727 -8.879 1.00 0.00 C ATOM 694 CG LYS A 47 -3.975 -7.823 -9.536 1.00 0.00 C ATOM 695 CD LYS A 47 -4.259 -8.250 -10.966 1.00 0.00 C ATOM 696 CE LYS A 47 -5.389 -7.435 -11.577 1.00 0.00 C ATOM 697 NZ LYS A 47 -4.896 -6.160 -12.168 1.00 0.00 N ATOM 0 H LYS A 47 -1.201 -9.893 -7.590 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.015 -7.215 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.097 -8.845 -9.551 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.382 -9.717 -8.739 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.900 -7.842 -8.959 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -3.615 -6.794 -9.527 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -3.358 -8.133 -11.568 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.520 -9.308 -10.986 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.886 -8.024 -12.348 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.134 -7.217 -10.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.535 -5.384 -11.902 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.940 -5.959 -11.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.868 -6.246 -13.204 1.00 0.00 H new ATOM 711 N GLU A 48 -3.937 -9.208 -5.895 1.00 0.00 N ATOM 712 CA GLU A 48 -5.032 -9.234 -4.933 1.00 0.00 C ATOM 713 C GLU A 48 -4.806 -8.210 -3.824 1.00 0.00 C ATOM 714 O GLU A 48 -5.721 -7.479 -3.445 1.00 0.00 O ATOM 715 CB GLU A 48 -5.176 -10.633 -4.329 1.00 0.00 C ATOM 716 CG GLU A 48 -3.858 -11.240 -3.880 1.00 0.00 C ATOM 717 CD GLU A 48 -4.038 -12.579 -3.190 1.00 0.00 C ATOM 718 OE1 GLU A 48 -4.788 -12.638 -2.194 1.00 0.00 O ATOM 719 OE2 GLU A 48 -3.428 -13.568 -3.648 1.00 0.00 O ATOM 0 H GLU A 48 -3.457 -10.100 -6.013 1.00 0.00 H new ATOM 0 HA GLU A 48 -5.951 -8.977 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.853 -10.583 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -5.638 -11.292 -5.065 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.207 -11.366 -4.745 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -3.357 -10.550 -3.201 1.00 0.00 H new ATOM 726 N ASP A 49 -3.583 -8.165 -3.309 1.00 0.00 N ATOM 727 CA ASP A 49 -3.235 -7.231 -2.244 1.00 0.00 C ATOM 728 C ASP A 49 -3.685 -5.816 -2.594 1.00 0.00 C ATOM 729 O ASP A 49 -4.283 -5.122 -1.770 1.00 0.00 O ATOM 730 CB ASP A 49 -1.728 -7.252 -1.989 1.00 0.00 C ATOM 731 CG ASP A 49 -1.255 -8.576 -1.422 1.00 0.00 C ATOM 732 OD1 ASP A 49 -2.065 -9.266 -0.769 1.00 0.00 O ATOM 733 OD2 ASP A 49 -0.073 -8.922 -1.632 1.00 0.00 O ATOM 0 H ASP A 49 -2.815 -8.764 -3.612 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.752 -7.544 -1.337 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -1.202 -7.051 -2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -1.468 -6.450 -1.298 1.00 0.00 H new ATOM 738 N ILE A 50 -3.394 -5.394 -3.819 1.00 0.00 N ATOM 739 CA ILE A 50 -3.768 -4.062 -4.278 1.00 0.00 C ATOM 740 C ILE A 50 -5.257 -3.808 -4.069 1.00 0.00 C ATOM 741 O ILE A 50 -5.648 -2.805 -3.469 1.00 0.00 O ATOM 742 CB ILE A 50 -3.429 -3.864 -5.767 1.00 0.00 C ATOM 743 CG1 ILE A 50 -1.937 -4.096 -6.009 1.00 0.00 C ATOM 744 CG2 ILE A 50 -3.833 -2.469 -6.221 1.00 0.00 C ATOM 745 CD1 ILE A 50 -1.063 -2.955 -5.539 1.00 0.00 C ATOM 0 H ILE A 50 -2.900 -5.956 -4.513 1.00 0.00 H new ATOM 0 HA ILE A 50 -3.193 -3.350 -3.686 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.990 -4.593 -6.352 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -1.632 -5.010 -5.499 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.771 -4.255 -7.074 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -3.587 -2.344 -7.276 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -4.906 -2.337 -6.080 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.296 -1.725 -5.633 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.018 -3.189 -5.743 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.340 -2.043 -6.067 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -1.200 -2.809 -4.467 1.00 0.00 H new ATOM 757 N LEU A 51 -6.084 -4.721 -4.565 1.00 0.00 N ATOM 758 CA LEU A 51 -7.531 -4.596 -4.432 1.00 0.00 C ATOM 759 C LEU A 51 -7.938 -4.532 -2.963 1.00 0.00 C ATOM 760 O LEU A 51 -9.051 -4.125 -2.634 1.00 0.00 O ATOM 761 CB LEU A 51 -8.229 -5.773 -5.115 1.00 0.00 C ATOM 762 CG LEU A 51 -8.195 -5.778 -6.643 1.00 0.00 C ATOM 763 CD1 LEU A 51 -8.546 -7.156 -7.182 1.00 0.00 C ATOM 764 CD2 LEU A 51 -9.144 -4.727 -7.201 1.00 0.00 C ATOM 0 H LEU A 51 -5.777 -5.556 -5.063 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.838 -3.669 -4.916 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.773 -6.697 -4.758 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.271 -5.787 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.183 -5.533 -6.965 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.516 -7.139 -8.271 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -7.827 -7.886 -6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.547 -7.432 -6.851 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.107 -4.745 -8.290 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.160 -4.941 -6.869 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.846 -3.741 -6.844 1.00 0.00 H new ATOM 776 N ASN A 52 -7.027 -4.936 -2.083 1.00 0.00 N ATOM 777 CA ASN A 52 -7.291 -4.924 -0.648 1.00 0.00 C ATOM 778 C ASN A 52 -6.808 -3.621 -0.018 1.00 0.00 C ATOM 779 O ASN A 52 -7.153 -3.304 1.120 1.00 0.00 O ATOM 780 CB ASN A 52 -6.608 -6.114 0.027 1.00 0.00 C ATOM 781 CG ASN A 52 -7.332 -7.421 -0.235 1.00 0.00 C ATOM 782 OD1 ASN A 52 -8.504 -7.429 -0.614 1.00 0.00 O ATOM 783 ND2 ASN A 52 -6.637 -8.533 -0.032 1.00 0.00 N ATOM 0 H ASN A 52 -6.100 -5.276 -2.338 1.00 0.00 H new ATOM 0 HA ASN A 52 -8.368 -5.001 -0.501 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -5.582 -6.192 -0.332 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -6.557 -5.939 1.102 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -7.072 -9.442 -0.190 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -5.668 -8.479 0.282 1.00 0.00 H new ATOM 790 N TYR A 53 -6.006 -2.870 -0.766 1.00 0.00 N ATOM 791 CA TYR A 53 -5.473 -1.603 -0.281 1.00 0.00 C ATOM 792 C TYR A 53 -6.418 -0.451 -0.614 1.00 0.00 C ATOM 793 O TYR A 53 -6.461 0.556 0.094 1.00 0.00 O ATOM 794 CB TYR A 53 -4.094 -1.339 -0.888 1.00 0.00 C ATOM 795 CG TYR A 53 -3.555 0.041 -0.589 1.00 0.00 C ATOM 796 CD1 TYR A 53 -4.059 1.162 -1.238 1.00 0.00 C ATOM 797 CD2 TYR A 53 -2.542 0.226 0.344 1.00 0.00 C ATOM 798 CE1 TYR A 53 -3.569 2.425 -0.969 1.00 0.00 C ATOM 799 CE2 TYR A 53 -2.046 1.485 0.621 1.00 0.00 C ATOM 800 CZ TYR A 53 -2.562 2.581 -0.038 1.00 0.00 C ATOM 801 OH TYR A 53 -2.071 3.837 0.234 1.00 0.00 O ATOM 0 H TYR A 53 -5.711 -3.117 -1.711 1.00 0.00 H new ATOM 0 HA TYR A 53 -5.378 -1.669 0.803 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -3.392 -2.083 -0.512 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -4.150 -1.472 -1.968 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -4.848 1.043 -1.966 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -2.135 -0.630 0.862 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.971 3.285 -1.484 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.259 1.610 1.349 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.367 3.773 0.913 1.00 0.00 H new ATOM 811 N LEU A 54 -7.172 -0.608 -1.696 1.00 0.00 N ATOM 812 CA LEU A 54 -8.117 0.416 -2.125 1.00 0.00 C ATOM 813 C LEU A 54 -9.409 0.337 -1.319 1.00 0.00 C ATOM 814 O LEU A 54 -10.027 1.357 -1.017 1.00 0.00 O ATOM 815 CB LEU A 54 -8.422 0.266 -3.616 1.00 0.00 C ATOM 816 CG LEU A 54 -7.265 0.558 -4.571 1.00 0.00 C ATOM 817 CD1 LEU A 54 -7.405 -0.259 -5.846 1.00 0.00 C ATOM 818 CD2 LEU A 54 -7.201 2.045 -4.891 1.00 0.00 C ATOM 0 H LEU A 54 -7.147 -1.435 -2.292 1.00 0.00 H new ATOM 0 HA LEU A 54 -7.661 1.391 -1.951 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -8.766 -0.753 -3.795 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -9.249 0.930 -3.866 1.00 0.00 H new ATOM 0 HG LEU A 54 -6.334 0.271 -4.082 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.572 -0.037 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -7.400 -1.321 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -8.343 -0.005 -6.340 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -6.372 2.235 -5.572 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -8.134 2.357 -5.360 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -7.051 2.609 -3.970 1.00 0.00 H new ATOM 830 N GLU A 55 -9.811 -0.883 -0.971 1.00 0.00 N ATOM 831 CA GLU A 55 -11.029 -1.094 -0.200 1.00 0.00 C ATOM 832 C GLU A 55 -10.970 -0.342 1.127 1.00 0.00 C ATOM 833 O GLU A 55 -12.001 0.000 1.707 1.00 0.00 O ATOM 834 CB GLU A 55 -11.243 -2.587 0.057 1.00 0.00 C ATOM 835 CG GLU A 55 -10.043 -3.276 0.683 1.00 0.00 C ATOM 836 CD GLU A 55 -10.083 -3.256 2.199 1.00 0.00 C ATOM 837 OE1 GLU A 55 -10.988 -2.602 2.761 1.00 0.00 O ATOM 838 OE2 GLU A 55 -9.211 -3.895 2.824 1.00 0.00 O ATOM 0 H GLU A 55 -9.310 -1.738 -1.211 1.00 0.00 H new ATOM 0 HA GLU A 55 -11.867 -0.708 -0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -12.106 -2.714 0.711 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -11.482 -3.079 -0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -10.001 -4.309 0.338 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.130 -2.789 0.341 1.00 0.00 H new