USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 Set 1.1: A 72 MET CE :methyl 156:sc= -0.321 (180deg=-0.851) USER MOD Set 1.2: A 89 MET CE :methyl 148:sc= -0.127 (180deg=-0.00895) USER MOD Single : A 15 SER OG : rot -24:sc= 0.02 USER MOD Single : A 17 LYS NZ :NH3+ 176:sc= 0.655 (180deg=0.635) USER MOD Single : A 20 ASN : amide:sc= -1.83! C(o=-1.8!,f=-7.3!) USER MOD Single : A 22 THR OG1 : rot -41:sc= 0.785 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -170:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 119:sc= 0.275 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -156:sc= 0.0746 USER MOD Single : A 44 TYR OH : rot -107:sc= 1.05 USER MOD Single : A 63 HIS : no HD1:sc= -1.91 K(o=-1.9,f=-7.1!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -168:sc= -0.778 (180deg=-1.37) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.99) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.593 6.430 5.436 1.00 0.00 N ATOM 204 CA SER A 15 10.460 6.493 4.539 1.00 0.00 C ATOM 205 C SER A 15 10.051 5.090 4.150 1.00 0.00 C ATOM 206 O SER A 15 10.891 4.236 3.883 1.00 0.00 O ATOM 207 CB SER A 15 10.831 7.293 3.295 1.00 0.00 C ATOM 208 OG SER A 15 11.945 6.695 2.679 1.00 0.00 O ATOM 0 HA SER A 15 9.626 6.986 5.039 1.00 0.00 H new ATOM 0 HB2 SER A 15 9.990 7.323 2.603 1.00 0.00 H new ATOM 0 HB3 SER A 15 11.059 8.324 3.565 1.00 0.00 H new ATOM 0 HG SER A 15 12.450 6.181 3.344 1.00 0.00 H new ATOM 214 N LEU A 16 8.742 4.869 4.121 1.00 0.00 N ATOM 215 CA LEU A 16 8.201 3.593 3.681 1.00 0.00 C ATOM 216 C LEU A 16 7.636 3.768 2.283 1.00 0.00 C ATOM 217 O LEU A 16 7.341 4.894 1.900 1.00 0.00 O ATOM 218 CB LEU A 16 7.112 3.125 4.651 1.00 0.00 C ATOM 219 CG LEU A 16 6.685 1.671 4.430 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.849 0.727 4.730 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.514 1.346 5.354 1.00 0.00 C ATOM 0 H LEU A 16 8.039 5.555 4.396 1.00 0.00 H new ATOM 0 HA LEU A 16 8.985 2.836 3.665 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.473 3.239 5.673 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.241 3.772 4.547 1.00 0.00 H new ATOM 0 HG LEU A 16 6.385 1.540 3.390 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.532 -0.304 4.569 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.684 0.958 4.069 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.162 0.853 5.767 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.206 0.312 5.201 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.820 1.484 6.391 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.679 2.010 5.131 1.00 0.00 H new ATOM 233 N LYS A 17 7.498 2.650 1.559 1.00 0.00 N ATOM 234 CA LYS A 17 6.901 2.527 0.232 1.00 0.00 C ATOM 235 C LYS A 17 6.113 1.219 0.218 1.00 0.00 C ATOM 236 O LYS A 17 6.614 0.174 0.621 1.00 0.00 O ATOM 237 CB LYS A 17 8.000 2.549 -0.838 1.00 0.00 C ATOM 238 CG LYS A 17 7.670 1.808 -2.140 1.00 0.00 C ATOM 239 CD LYS A 17 6.530 2.457 -2.922 1.00 0.00 C ATOM 240 CE LYS A 17 6.028 1.513 -4.017 1.00 0.00 C ATOM 241 NZ LYS A 17 7.095 1.140 -4.963 1.00 0.00 N ATOM 0 H LYS A 17 7.824 1.750 1.912 1.00 0.00 H new ATOM 0 HA LYS A 17 6.232 3.359 0.010 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.227 3.587 -1.079 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.905 2.115 -0.413 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.560 1.773 -2.768 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.403 0.777 -1.908 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.713 2.707 -2.246 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.872 3.391 -3.367 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.620 0.612 -3.559 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.213 1.991 -4.561 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.727 0.448 -5.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.421 1.987 -5.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.891 0.721 -4.441 1.00 0.00 H new ATOM 255 N VAL A 18 4.868 1.279 -0.253 1.00 0.00 N ATOM 256 CA VAL A 18 4.022 0.095 -0.387 1.00 0.00 C ATOM 257 C VAL A 18 3.569 -0.028 -1.824 1.00 0.00 C ATOM 258 O VAL A 18 3.283 0.994 -2.445 1.00 0.00 O ATOM 259 CB VAL A 18 2.822 0.231 0.531 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.671 -0.668 0.076 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.256 -0.119 1.948 1.00 0.00 C ATOM 0 H VAL A 18 4.420 2.145 -0.551 1.00 0.00 H new ATOM 0 HA VAL A 18 4.581 -0.799 -0.110 1.00 0.00 H new ATOM 0 HB VAL A 18 2.456 1.257 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.826 -0.548 0.754 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.369 -0.389 -0.934 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.997 -1.708 0.083 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.405 -0.027 2.623 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.628 -1.143 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 18 4.046 0.562 2.265 1.00 0.00 H new ATOM 271 N ASP A 19 3.522 -1.292 -2.280 1.00 0.00 N ATOM 272 CA ASP A 19 3.382 -1.735 -3.666 1.00 0.00 C ATOM 273 C ASP A 19 2.418 -2.926 -3.785 1.00 0.00 C ATOM 274 O ASP A 19 1.872 -3.392 -2.786 1.00 0.00 O ATOM 275 CB ASP A 19 4.800 -2.144 -4.087 1.00 0.00 C ATOM 276 CG ASP A 19 5.073 -2.112 -5.586 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.628 -3.052 -6.283 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.731 -1.141 -6.021 1.00 0.00 O ATOM 0 H ASP A 19 3.586 -2.082 -1.638 1.00 0.00 H new ATOM 0 HA ASP A 19 2.965 -0.951 -4.299 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.512 -1.484 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.992 -3.153 -3.722 1.00 0.00 H new ATOM 283 N ASN A 20 2.221 -3.407 -5.019 1.00 0.00 N ATOM 284 CA ASN A 20 1.356 -4.525 -5.393 1.00 0.00 C ATOM 285 C ASN A 20 -0.128 -4.274 -5.131 1.00 0.00 C ATOM 286 O ASN A 20 -0.571 -4.283 -3.986 1.00 0.00 O ATOM 287 CB ASN A 20 1.848 -5.820 -4.744 1.00 0.00 C ATOM 288 CG ASN A 20 1.498 -7.034 -5.595 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.655 -7.013 -6.812 1.00 0.00 O ATOM 290 ND2 ASN A 20 1.015 -8.106 -4.975 1.00 0.00 N ATOM 0 H ASN A 20 2.690 -3.000 -5.828 1.00 0.00 H new ATOM 0 HA ASN A 20 1.430 -4.630 -6.475 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.928 -5.771 -4.603 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.402 -5.926 -3.755 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.765 -8.936 -5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 20 0.894 -8.098 -3.962 1.00 0.00 H new ATOM 297 N LEU A 21 -0.891 -4.053 -6.203 1.00 0.00 N ATOM 298 CA LEU A 21 -2.318 -3.745 -6.146 1.00 0.00 C ATOM 299 C LEU A 21 -3.103 -4.564 -7.166 1.00 0.00 C ATOM 300 O LEU A 21 -2.524 -5.290 -7.967 1.00 0.00 O ATOM 301 CB LEU A 21 -2.547 -2.272 -6.488 1.00 0.00 C ATOM 302 CG LEU A 21 -1.675 -1.294 -5.709 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.023 0.086 -6.262 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.940 -1.334 -4.209 1.00 0.00 C ATOM 0 H LEU A 21 -0.525 -4.084 -7.154 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.657 -3.979 -5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.368 -2.128 -7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.594 -2.029 -6.305 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.622 -1.549 -5.829 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.432 0.844 -5.747 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.802 0.117 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.083 0.284 -6.105 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.291 -0.617 -3.706 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.982 -1.078 -4.017 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.737 -2.336 -3.830 1.00 0.00 H new ATOM 316 N THR A 22 -4.433 -4.441 -7.134 1.00 0.00 N ATOM 317 CA THR A 22 -5.324 -5.167 -8.034 1.00 0.00 C ATOM 318 C THR A 22 -6.280 -4.233 -8.771 1.00 0.00 C ATOM 319 O THR A 22 -7.274 -4.715 -9.305 1.00 0.00 O ATOM 320 CB THR A 22 -6.095 -6.239 -7.259 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.775 -7.093 -8.154 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.092 -5.635 -6.271 1.00 0.00 C ATOM 0 H THR A 22 -4.921 -3.831 -6.478 1.00 0.00 H new ATOM 0 HA THR A 22 -4.709 -5.652 -8.792 1.00 0.00 H new ATOM 0 HB THR A 22 -5.363 -6.808 -6.686 1.00 0.00 H new ATOM 0 HG1 THR A 22 -7.173 -6.561 -8.875 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.614 -6.435 -5.746 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.559 -5.015 -5.550 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.815 -5.024 -6.811 1.00 0.00 H new ATOM 329 N TYR A 23 -5.991 -2.924 -8.797 1.00 0.00 N ATOM 330 CA TYR A 23 -6.797 -1.882 -9.451 1.00 0.00 C ATOM 331 C TYR A 23 -7.967 -1.406 -8.592 1.00 0.00 C ATOM 332 O TYR A 23 -8.647 -0.436 -8.923 1.00 0.00 O ATOM 333 CB TYR A 23 -7.239 -2.324 -10.849 1.00 0.00 C ATOM 334 CG TYR A 23 -8.737 -2.292 -11.092 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.603 -3.128 -10.366 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.257 -1.407 -12.045 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.983 -3.083 -10.598 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.636 -1.357 -12.283 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.506 -2.198 -11.563 1.00 0.00 C ATOM 340 OH TYR A 23 -12.846 -2.156 -11.798 1.00 0.00 O ATOM 0 H TYR A 23 -5.157 -2.547 -8.346 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.153 -1.011 -9.571 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.754 -1.684 -11.586 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.880 -3.339 -11.023 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.203 -3.807 -9.627 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.592 -0.761 -12.598 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.646 -3.726 -10.038 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.032 -0.673 -13.019 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.036 -1.491 -12.492 1.00 0.00 H new ATOM 350 N ARG A 24 -8.191 -2.103 -7.476 1.00 0.00 N ATOM 351 CA ARG A 24 -9.294 -1.839 -6.559 1.00 0.00 C ATOM 352 C ARG A 24 -8.798 -1.601 -5.131 1.00 0.00 C ATOM 353 O ARG A 24 -9.580 -1.203 -4.269 1.00 0.00 O ATOM 354 CB ARG A 24 -10.237 -3.033 -6.649 1.00 0.00 C ATOM 355 CG ARG A 24 -11.462 -2.898 -5.748 1.00 0.00 C ATOM 356 CD ARG A 24 -12.332 -4.142 -5.910 1.00 0.00 C ATOM 357 NE ARG A 24 -11.658 -5.327 -5.361 1.00 0.00 N ATOM 358 CZ ARG A 24 -12.056 -6.586 -5.558 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.138 -6.857 -6.284 1.00 0.00 N ATOM 360 NH2 ARG A 24 -11.358 -7.581 -5.023 1.00 0.00 N ATOM 0 H ARG A 24 -7.599 -2.880 -7.182 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.816 -0.924 -6.837 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.564 -3.153 -7.682 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.694 -3.939 -6.380 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.155 -2.785 -4.708 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -12.028 -2.005 -6.012 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.285 -3.993 -5.403 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.554 -4.301 -6.965 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.827 -5.177 -4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.677 -6.097 -6.700 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.428 -7.825 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.526 -7.380 -4.468 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.653 -8.547 -5.167 1.00 0.00 H new ATOM 374 N THR A 25 -7.508 -1.837 -4.873 1.00 0.00 N ATOM 375 CA THR A 25 -6.941 -1.653 -3.546 1.00 0.00 C ATOM 376 C THR A 25 -7.117 -0.211 -3.073 1.00 0.00 C ATOM 377 O THR A 25 -7.492 0.013 -1.928 1.00 0.00 O ATOM 378 CB THR A 25 -5.467 -2.044 -3.576 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.335 -3.400 -3.940 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.831 -1.818 -2.207 1.00 0.00 C ATOM 0 H THR A 25 -6.839 -2.157 -5.573 1.00 0.00 H new ATOM 0 HA THR A 25 -7.467 -2.292 -2.837 1.00 0.00 H new ATOM 0 HB THR A 25 -4.957 -1.422 -4.312 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.407 -3.686 -3.805 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.779 -2.101 -2.243 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.914 -0.765 -1.936 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.345 -2.426 -1.462 1.00 0.00 H new ATOM 387 N SER A 26 -6.850 0.753 -3.960 1.00 0.00 N ATOM 388 CA SER A 26 -7.000 2.191 -3.730 1.00 0.00 C ATOM 389 C SER A 26 -6.235 2.752 -2.522 1.00 0.00 C ATOM 390 O SER A 26 -5.915 2.043 -1.569 1.00 0.00 O ATOM 391 CB SER A 26 -8.495 2.516 -3.636 1.00 0.00 C ATOM 392 OG SER A 26 -9.127 2.269 -4.876 1.00 0.00 O ATOM 0 H SER A 26 -6.509 0.542 -4.898 1.00 0.00 H new ATOM 0 HA SER A 26 -6.538 2.690 -4.582 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.958 1.911 -2.857 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.631 3.560 -3.352 1.00 0.00 H new ATOM 0 HG SER A 26 -10.082 2.478 -4.804 1.00 0.00 H new ATOM 398 N PRO A 27 -5.926 4.059 -2.551 1.00 0.00 N ATOM 399 CA PRO A 27 -5.195 4.747 -1.489 1.00 0.00 C ATOM 400 C PRO A 27 -5.958 4.779 -0.169 1.00 0.00 C ATOM 401 O PRO A 27 -5.333 4.835 0.888 1.00 0.00 O ATOM 402 CB PRO A 27 -4.955 6.168 -2.002 1.00 0.00 C ATOM 403 CG PRO A 27 -5.979 6.364 -3.118 1.00 0.00 C ATOM 404 CD PRO A 27 -6.257 4.962 -3.638 1.00 0.00 C ATOM 0 HA PRO A 27 -4.266 4.219 -1.273 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.091 6.902 -1.208 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.938 6.286 -2.375 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.888 6.835 -2.743 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.588 7.008 -3.906 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.302 4.854 -3.930 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.655 4.747 -4.521 1.00 0.00 H new ATOM 412 N ASP A 28 -7.290 4.742 -0.202 1.00 0.00 N ATOM 413 CA ASP A 28 -8.081 4.841 1.019 1.00 0.00 C ATOM 414 C ASP A 28 -7.978 3.577 1.857 1.00 0.00 C ATOM 415 O ASP A 28 -7.826 3.655 3.075 1.00 0.00 O ATOM 416 CB ASP A 28 -9.540 5.051 0.644 1.00 0.00 C ATOM 417 CG ASP A 28 -10.390 5.312 1.884 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.876 4.323 2.476 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.550 6.504 2.231 1.00 0.00 O ATOM 0 H ASP A 28 -7.839 4.645 -1.056 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.698 5.677 1.604 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.625 5.892 -0.044 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.915 4.172 0.120 1.00 0.00 H new ATOM 424 N THR A 29 -8.057 2.404 1.217 1.00 0.00 N ATOM 425 CA THR A 29 -7.989 1.153 1.947 1.00 0.00 C ATOM 426 C THR A 29 -6.606 1.041 2.547 1.00 0.00 C ATOM 427 O THR A 29 -6.457 0.643 3.696 1.00 0.00 O ATOM 428 CB THR A 29 -8.238 -0.027 1.017 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.412 0.198 0.267 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.411 -1.322 1.813 1.00 0.00 C ATOM 0 H THR A 29 -8.167 2.305 0.208 1.00 0.00 H new ATOM 0 HA THR A 29 -8.753 1.138 2.725 1.00 0.00 H new ATOM 0 HB THR A 29 -7.377 -0.124 0.356 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.192 0.216 -0.688 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.588 -2.150 1.127 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.508 -1.517 2.392 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.261 -1.223 2.489 1.00 0.00 H new ATOM 437 N LEU A 30 -5.590 1.399 1.761 1.00 0.00 N ATOM 438 CA LEU A 30 -4.217 1.358 2.218 1.00 0.00 C ATOM 439 C LEU A 30 -4.026 2.320 3.386 1.00 0.00 C ATOM 440 O LEU A 30 -3.247 2.037 4.290 1.00 0.00 O ATOM 441 CB LEU A 30 -3.303 1.775 1.064 1.00 0.00 C ATOM 442 CG LEU A 30 -3.353 0.784 -0.096 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.744 1.462 -1.320 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.569 -0.482 0.242 1.00 0.00 C ATOM 0 H LEU A 30 -5.703 1.721 0.800 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.972 0.348 2.548 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.596 2.763 0.709 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.278 1.857 1.426 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.386 0.495 -0.292 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.767 0.775 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.318 2.356 -1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.712 1.740 -1.106 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.617 -1.175 -0.598 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.529 -0.224 0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.001 -0.952 1.126 1.00 0.00 H new ATOM 456 N ARG A 31 -4.732 3.455 3.380 1.00 0.00 N ATOM 457 CA ARG A 31 -4.555 4.456 4.421 1.00 0.00 C ATOM 458 C ARG A 31 -4.860 3.844 5.780 1.00 0.00 C ATOM 459 O ARG A 31 -4.023 3.875 6.676 1.00 0.00 O ATOM 460 CB ARG A 31 -5.479 5.647 4.139 1.00 0.00 C ATOM 461 CG ARG A 31 -4.937 6.967 4.692 1.00 0.00 C ATOM 462 CD ARG A 31 -4.464 6.869 6.140 1.00 0.00 C ATOM 463 NE ARG A 31 -4.066 8.188 6.654 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.874 9.017 7.321 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.136 8.689 7.569 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.407 10.187 7.743 1.00 0.00 N ATOM 0 H ARG A 31 -5.424 3.697 2.670 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.523 4.806 4.428 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.623 5.742 3.063 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.459 5.451 4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.107 7.300 4.068 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.714 7.728 4.622 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.261 6.458 6.760 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.622 6.180 6.206 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.106 8.491 6.490 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.502 7.792 7.249 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.740 9.334 8.080 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.438 10.447 7.557 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.017 10.826 8.253 1.00 0.00 H new ATOM 480 N ARG A 32 -6.061 3.285 5.937 1.00 0.00 N ATOM 481 CA ARG A 32 -6.494 2.711 7.207 1.00 0.00 C ATOM 482 C ARG A 32 -5.949 1.297 7.435 1.00 0.00 C ATOM 483 O ARG A 32 -6.152 0.730 8.505 1.00 0.00 O ATOM 484 CB ARG A 32 -8.022 2.734 7.242 1.00 0.00 C ATOM 485 CG ARG A 32 -8.607 1.844 6.139 1.00 0.00 C ATOM 486 CD ARG A 32 -9.826 2.498 5.491 1.00 0.00 C ATOM 487 NE ARG A 32 -10.917 2.694 6.457 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.024 3.393 6.196 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.210 3.967 5.009 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.964 3.521 7.127 1.00 0.00 N ATOM 0 H ARG A 32 -6.755 3.219 5.192 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.089 3.311 8.022 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.373 2.392 8.216 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.377 3.757 7.117 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.847 1.653 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.889 0.878 6.558 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.540 3.460 5.066 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.177 1.877 4.667 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.823 2.271 7.380 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.501 3.876 4.282 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -13.062 4.497 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.839 3.085 8.041 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.810 4.055 6.928 1.00 0.00 H new ATOM 504 N VAL A 33 -5.258 0.736 6.438 1.00 0.00 N ATOM 505 CA VAL A 33 -4.586 -0.556 6.549 1.00 0.00 C ATOM 506 C VAL A 33 -3.138 -0.387 7.001 1.00 0.00 C ATOM 507 O VAL A 33 -2.506 -1.348 7.429 1.00 0.00 O ATOM 508 CB VAL A 33 -4.644 -1.258 5.191 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.598 -2.364 5.033 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.021 -1.904 5.042 1.00 0.00 C ATOM 0 H VAL A 33 -5.150 1.173 5.523 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.094 -1.160 7.301 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.446 -0.500 4.433 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.696 -2.819 4.047 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.600 -1.939 5.139 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.752 -3.123 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.083 -2.411 4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.172 -2.628 5.843 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.792 -1.135 5.098 1.00 0.00 H new ATOM 520 N PHE A 34 -2.608 0.834 6.917 1.00 0.00 N ATOM 521 CA PHE A 34 -1.218 1.095 7.247 1.00 0.00 C ATOM 522 C PHE A 34 -1.090 2.140 8.338 1.00 0.00 C ATOM 523 O PHE A 34 -0.223 2.022 9.200 1.00 0.00 O ATOM 524 CB PHE A 34 -0.509 1.558 5.977 1.00 0.00 C ATOM 525 CG PHE A 34 0.004 0.419 5.144 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.165 -0.252 5.552 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.665 0.031 3.982 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.649 -1.324 4.792 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.178 -1.037 3.220 1.00 0.00 C ATOM 530 CZ PHE A 34 0.973 -1.726 3.633 1.00 0.00 C ATOM 0 H PHE A 34 -3.130 1.659 6.621 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.760 0.182 7.628 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.198 2.156 5.380 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.324 2.207 6.248 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.684 0.056 6.448 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.557 0.554 3.671 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.545 -1.842 5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.688 -1.331 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.337 -2.565 3.058 1.00 0.00 H new ATOM 540 N GLU A 35 -1.936 3.168 8.322 1.00 0.00 N ATOM 541 CA GLU A 35 -1.850 4.179 9.357 1.00 0.00 C ATOM 542 C GLU A 35 -2.244 3.592 10.708 1.00 0.00 C ATOM 543 O GLU A 35 -1.938 4.163 11.753 1.00 0.00 O ATOM 544 CB GLU A 35 -2.710 5.403 9.016 1.00 0.00 C ATOM 545 CG GLU A 35 -4.182 5.258 9.394 1.00 0.00 C ATOM 546 CD GLU A 35 -4.455 5.596 10.864 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.950 6.645 11.324 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.171 4.803 11.514 1.00 0.00 O ATOM 0 H GLU A 35 -2.665 3.316 7.624 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.815 4.515 9.416 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.300 6.275 9.526 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.639 5.597 7.946 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.781 5.910 8.759 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.504 4.236 9.195 1.00 0.00 H new ATOM 555 N LYS A 36 -2.929 2.441 10.674 1.00 0.00 N ATOM 556 CA LYS A 36 -3.437 1.787 11.859 1.00 0.00 C ATOM 557 C LYS A 36 -2.311 1.414 12.812 1.00 0.00 C ATOM 558 O LYS A 36 -2.503 1.412 14.027 1.00 0.00 O ATOM 559 CB LYS A 36 -4.213 0.541 11.443 1.00 0.00 C ATOM 560 CG LYS A 36 -3.295 -0.505 10.794 1.00 0.00 C ATOM 561 CD LYS A 36 -4.079 -1.628 10.120 1.00 0.00 C ATOM 562 CE LYS A 36 -5.155 -2.189 11.041 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.753 -3.413 10.474 1.00 0.00 N ATOM 0 H LYS A 36 -3.141 1.944 9.809 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.096 2.476 12.386 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.701 0.107 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.001 0.819 10.743 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.657 -0.017 10.057 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.638 -0.929 11.553 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.540 -1.253 9.206 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.396 -2.426 9.829 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.724 -2.410 12.017 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.931 -1.440 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.483 -3.775 11.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.184 -3.194 9.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.014 -4.134 10.348 1.00 0.00 H new ATOM 577 N TYR A 37 -1.136 1.099 12.261 1.00 0.00 N ATOM 578 CA TYR A 37 0.006 0.747 13.076 1.00 0.00 C ATOM 579 C TYR A 37 0.640 1.983 13.715 1.00 0.00 C ATOM 580 O TYR A 37 1.352 1.866 14.711 1.00 0.00 O ATOM 581 CB TYR A 37 1.041 0.036 12.211 1.00 0.00 C ATOM 582 CG TYR A 37 0.531 -1.264 11.645 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.663 -2.442 12.391 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.087 -1.288 10.389 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.166 -3.649 11.884 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.584 -2.492 9.871 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.470 -3.677 10.624 1.00 0.00 C ATOM 588 OH TYR A 37 -0.979 -4.842 10.136 1.00 0.00 O ATOM 0 H TYR A 37 -0.961 1.083 11.256 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.335 0.090 13.876 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.337 0.692 11.393 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.934 -0.157 12.805 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.147 -2.419 13.356 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.181 -0.376 9.818 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.269 -4.559 12.457 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.053 -2.511 8.898 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.029 -4.793 9.158 1.00 0.00 H new ATOM 598 N GLY A 38 0.386 3.165 13.145 1.00 0.00 N ATOM 599 CA GLY A 38 0.873 4.415 13.707 1.00 0.00 C ATOM 600 C GLY A 38 0.332 5.614 12.942 1.00 0.00 C ATOM 601 O GLY A 38 -0.456 6.382 13.492 1.00 0.00 O ATOM 0 H GLY A 38 -0.158 3.275 12.289 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.577 4.485 14.754 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.963 4.427 13.682 1.00 0.00 H new ATOM 605 N ARG A 39 0.747 5.778 11.681 1.00 0.00 N ATOM 606 CA ARG A 39 0.253 6.845 10.822 1.00 0.00 C ATOM 607 C ARG A 39 0.700 6.625 9.386 1.00 0.00 C ATOM 608 O ARG A 39 1.542 5.773 9.117 1.00 0.00 O ATOM 609 CB ARG A 39 0.790 8.192 11.326 1.00 0.00 C ATOM 610 CG ARG A 39 -0.128 9.373 11.015 1.00 0.00 C ATOM 611 CD ARG A 39 -1.477 9.194 11.708 1.00 0.00 C ATOM 612 NE ARG A 39 -2.283 10.418 11.636 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.618 10.461 11.640 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.339 9.342 11.687 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.241 11.634 11.598 1.00 0.00 N ATOM 0 H ARG A 39 1.434 5.172 11.233 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.837 6.845 10.851 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.940 8.133 12.404 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.767 8.374 10.878 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.338 10.301 11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.273 9.455 9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.020 8.371 11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.318 8.922 12.752 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.785 11.306 11.578 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.872 8.436 11.721 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.358 9.391 11.689 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.700 12.498 11.563 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.260 11.670 11.601 1.00 0.00 H new ATOM 629 N VAL A 40 0.127 7.402 8.471 1.00 0.00 N ATOM 630 CA VAL A 40 0.489 7.397 7.063 1.00 0.00 C ATOM 631 C VAL A 40 0.707 8.839 6.625 1.00 0.00 C ATOM 632 O VAL A 40 -0.242 9.568 6.334 1.00 0.00 O ATOM 633 CB VAL A 40 -0.610 6.720 6.242 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.414 6.933 4.750 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.571 5.210 6.434 1.00 0.00 C ATOM 0 H VAL A 40 -0.616 8.064 8.695 1.00 0.00 H new ATOM 0 HA VAL A 40 1.407 6.831 6.902 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.547 7.159 6.584 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.215 6.436 4.203 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.431 8.000 4.529 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.546 6.515 4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.361 4.747 5.842 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.397 4.827 6.111 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.721 4.973 7.487 1.00 0.00 H new ATOM 645 N GLY A 41 1.978 9.235 6.583 1.00 0.00 N ATOM 646 CA GLY A 41 2.385 10.561 6.147 1.00 0.00 C ATOM 647 C GLY A 41 1.983 10.837 4.695 1.00 0.00 C ATOM 648 O GLY A 41 1.773 11.993 4.328 1.00 0.00 O ATOM 0 H GLY A 41 2.758 8.636 6.854 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.933 11.311 6.797 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.466 10.660 6.249 1.00 0.00 H new ATOM 652 N ASP A 42 1.876 9.787 3.877 1.00 0.00 N ATOM 653 CA ASP A 42 1.533 9.891 2.467 1.00 0.00 C ATOM 654 C ASP A 42 0.910 8.579 1.995 1.00 0.00 C ATOM 655 O ASP A 42 1.342 7.503 2.401 1.00 0.00 O ATOM 656 CB ASP A 42 2.812 10.131 1.664 1.00 0.00 C ATOM 657 CG ASP A 42 3.329 11.557 1.796 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.639 12.474 1.296 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.416 11.721 2.395 1.00 0.00 O ATOM 0 H ASP A 42 2.029 8.827 4.186 1.00 0.00 H new ATOM 0 HA ASP A 42 0.829 10.711 2.324 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.583 9.437 2.000 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.623 9.913 0.613 1.00 0.00 H new ATOM 664 N VAL A 43 -0.107 8.662 1.137 1.00 0.00 N ATOM 665 CA VAL A 43 -0.717 7.477 0.557 1.00 0.00 C ATOM 666 C VAL A 43 -1.237 7.853 -0.828 1.00 0.00 C ATOM 667 O VAL A 43 -2.154 8.662 -0.961 1.00 0.00 O ATOM 668 CB VAL A 43 -1.791 6.925 1.514 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.226 7.335 1.193 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.728 5.405 1.620 1.00 0.00 C ATOM 0 H VAL A 43 -0.523 9.542 0.831 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.003 6.664 0.427 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.539 7.388 2.468 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.903 6.894 1.925 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.311 8.421 1.228 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.491 6.983 0.196 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.501 5.056 2.304 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.888 4.965 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.749 5.107 1.996 1.00 0.00 H new ATOM 680 N TYR A 44 -0.643 7.266 -1.869 1.00 0.00 N ATOM 681 CA TYR A 44 -1.110 7.513 -3.224 1.00 0.00 C ATOM 682 C TYR A 44 -0.775 6.351 -4.143 1.00 0.00 C ATOM 683 O TYR A 44 0.027 5.487 -3.789 1.00 0.00 O ATOM 684 CB TYR A 44 -0.512 8.815 -3.759 1.00 0.00 C ATOM 685 CG TYR A 44 0.844 8.677 -4.414 1.00 0.00 C ATOM 686 CD1 TYR A 44 0.916 8.408 -5.790 1.00 0.00 C ATOM 687 CD2 TYR A 44 2.020 8.815 -3.663 1.00 0.00 C ATOM 688 CE1 TYR A 44 2.159 8.289 -6.425 1.00 0.00 C ATOM 689 CE2 TYR A 44 3.270 8.709 -4.289 1.00 0.00 C ATOM 690 CZ TYR A 44 3.343 8.448 -5.677 1.00 0.00 C ATOM 691 OH TYR A 44 4.556 8.343 -6.288 1.00 0.00 O ATOM 0 H TYR A 44 0.149 6.627 -1.797 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.195 7.610 -3.197 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.205 9.245 -4.482 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.430 9.524 -2.935 1.00 0.00 H new ATOM 0 HD1 TYR A 44 0.008 8.292 -6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.963 9.003 -2.601 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.210 8.076 -7.483 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.176 8.826 -3.712 1.00 0.00 H new ATOM 0 HH TYR A 44 4.982 7.500 -6.027 1.00 0.00 H new ATOM 701 N ILE A 45 -1.391 6.336 -5.328 1.00 0.00 N ATOM 702 CA ILE A 45 -1.183 5.287 -6.313 1.00 0.00 C ATOM 703 C ILE A 45 -0.736 5.941 -7.626 1.00 0.00 C ATOM 704 O ILE A 45 -1.495 6.709 -8.219 1.00 0.00 O ATOM 705 CB ILE A 45 -2.477 4.476 -6.509 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.790 3.497 -5.373 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.344 3.607 -7.756 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.029 4.170 -4.028 1.00 0.00 C ATOM 0 H ILE A 45 -2.049 7.056 -5.626 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.413 4.595 -5.972 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.269 5.223 -6.565 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.673 2.916 -5.640 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.963 2.793 -5.275 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.259 3.031 -7.898 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.177 4.242 -8.626 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.502 2.926 -7.637 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.244 3.412 -3.275 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.139 4.728 -3.737 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.875 4.853 -4.108 1.00 0.00 H new ATOM 720 N PRO A 46 0.489 5.646 -8.089 1.00 0.00 N ATOM 721 CA PRO A 46 1.067 6.112 -9.348 1.00 0.00 C ATOM 722 C PRO A 46 0.423 5.443 -10.569 1.00 0.00 C ATOM 723 O PRO A 46 1.114 4.961 -11.464 1.00 0.00 O ATOM 724 CB PRO A 46 2.559 5.809 -9.244 1.00 0.00 C ATOM 725 CG PRO A 46 2.595 4.593 -8.329 1.00 0.00 C ATOM 726 CD PRO A 46 1.437 4.818 -7.374 1.00 0.00 C ATOM 0 HA PRO A 46 0.886 7.176 -9.497 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.997 5.594 -10.219 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.113 6.648 -8.823 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.475 3.667 -8.891 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.543 4.522 -7.797 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.984 3.871 -7.079 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.773 5.309 -6.461 1.00 0.00 H new ATOM 900 N GLY A 56 -0.431 -1.187 -11.148 1.00 0.00 N ATOM 901 CA GLY A 56 -0.410 -2.419 -10.370 1.00 0.00 C ATOM 902 C GLY A 56 0.341 -2.279 -9.047 1.00 0.00 C ATOM 903 O GLY A 56 0.659 -3.290 -8.424 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.434 -2.732 -10.168 1.00 0.00 H new ATOM 0 HA3 GLY A 56 0.053 -3.208 -10.962 1.00 0.00 H new ATOM 907 N PHE A 57 0.634 -1.052 -8.603 1.00 0.00 N ATOM 908 CA PHE A 57 1.359 -0.809 -7.367 1.00 0.00 C ATOM 909 C PHE A 57 0.969 0.545 -6.790 1.00 0.00 C ATOM 910 O PHE A 57 0.534 1.438 -7.513 1.00 0.00 O ATOM 911 CB PHE A 57 2.860 -0.866 -7.626 1.00 0.00 C ATOM 912 CG PHE A 57 3.454 0.320 -8.343 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.267 0.510 -9.715 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.217 1.244 -7.606 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.840 1.623 -10.351 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.789 2.349 -8.245 1.00 0.00 C ATOM 917 CZ PHE A 57 4.589 2.551 -9.615 1.00 0.00 C ATOM 0 H PHE A 57 0.370 -0.200 -9.099 1.00 0.00 H new ATOM 0 HA PHE A 57 1.100 -1.582 -6.643 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.369 -0.979 -6.669 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.074 -1.762 -8.209 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.683 -0.198 -10.285 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.361 1.100 -6.545 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.703 1.765 -11.413 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.387 3.048 -7.679 1.00 0.00 H new ATOM 0 HZ PHE A 57 5.010 3.418 -10.103 1.00 0.00 H new ATOM 927 N ALA A 58 1.141 0.686 -5.474 1.00 0.00 N ATOM 928 CA ALA A 58 0.807 1.906 -4.765 1.00 0.00 C ATOM 929 C ALA A 58 2.093 2.611 -4.359 1.00 0.00 C ATOM 930 O ALA A 58 3.162 2.328 -4.891 1.00 0.00 O ATOM 931 CB ALA A 58 -0.046 1.577 -3.534 1.00 0.00 C ATOM 0 H ALA A 58 1.517 -0.049 -4.876 1.00 0.00 H new ATOM 0 HA ALA A 58 0.229 2.566 -5.412 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.293 2.498 -3.006 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.964 1.082 -3.849 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.512 0.917 -2.870 1.00 0.00 H new ATOM 937 N PHE A 59 1.974 3.535 -3.412 1.00 0.00 N ATOM 938 CA PHE A 59 3.096 4.260 -2.864 1.00 0.00 C ATOM 939 C PHE A 59 2.645 4.836 -1.546 1.00 0.00 C ATOM 940 O PHE A 59 2.525 6.052 -1.386 1.00 0.00 O ATOM 941 CB PHE A 59 3.545 5.323 -3.872 1.00 0.00 C ATOM 942 CG PHE A 59 5.040 5.536 -3.972 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.823 5.733 -2.825 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.640 5.537 -5.239 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.205 5.933 -2.953 1.00 0.00 C ATOM 946 CE2 PHE A 59 7.019 5.728 -5.366 1.00 0.00 C ATOM 947 CZ PHE A 59 7.803 5.925 -4.222 1.00 0.00 C ATOM 0 H PHE A 59 1.078 3.800 -3.003 1.00 0.00 H new ATOM 0 HA PHE A 59 3.963 3.625 -2.683 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.168 5.047 -4.857 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.077 6.271 -3.606 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.364 5.731 -1.848 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.034 5.390 -6.121 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.810 6.093 -2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.479 5.724 -6.343 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.869 6.071 -4.317 1.00 0.00 H new ATOM 957 N VAL A 60 2.398 3.947 -0.580 1.00 0.00 N ATOM 958 CA VAL A 60 2.191 4.524 0.742 1.00 0.00 C ATOM 959 C VAL A 60 3.566 4.919 1.249 1.00 0.00 C ATOM 960 O VAL A 60 4.509 4.149 1.089 1.00 0.00 O ATOM 961 CB VAL A 60 1.456 3.631 1.748 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.376 2.741 1.129 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.357 2.914 2.751 1.00 0.00 C ATOM 0 H VAL A 60 2.341 2.933 -0.669 1.00 0.00 H new ATOM 0 HA VAL A 60 1.517 5.375 0.644 1.00 0.00 H new ATOM 0 HB VAL A 60 0.904 4.343 2.362 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.094 2.143 1.910 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.377 3.364 0.647 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.829 2.081 0.389 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.746 2.307 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.057 2.272 2.217 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.911 3.650 3.333 1.00 0.00 H new ATOM 973 N ARG A 61 3.677 6.104 1.853 1.00 0.00 N ATOM 974 CA ARG A 61 4.936 6.565 2.404 1.00 0.00 C ATOM 975 C ARG A 61 4.752 7.028 3.821 1.00 0.00 C ATOM 976 O ARG A 61 3.826 7.758 4.167 1.00 0.00 O ATOM 977 CB ARG A 61 5.623 7.596 1.497 1.00 0.00 C ATOM 978 CG ARG A 61 6.515 8.529 2.320 1.00 0.00 C ATOM 979 CD ARG A 61 7.282 9.508 1.439 1.00 0.00 C ATOM 980 NE ARG A 61 8.351 10.162 2.206 1.00 0.00 N ATOM 981 CZ ARG A 61 8.161 11.084 3.157 1.00 0.00 C ATOM 982 NH1 ARG A 61 6.951 11.556 3.447 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.196 11.555 3.845 1.00 0.00 N ATOM 0 H ARG A 61 2.903 6.758 1.969 1.00 0.00 H new ATOM 0 HA ARG A 61 5.628 5.723 2.439 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.221 7.084 0.743 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.871 8.179 0.965 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.902 9.084 3.030 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.220 7.936 2.903 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.709 8.981 0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.600 10.259 1.041 1.00 0.00 H new ATOM 0 HE ARG A 61 9.312 9.892 1.997 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.135 11.215 2.939 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.839 12.259 4.178 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.137 11.214 3.648 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.049 12.258 4.570 1.00 0.00 H new ATOM 997 N PHE A 62 5.697 6.559 4.630 1.00 0.00 N ATOM 998 CA PHE A 62 5.689 6.866 6.046 1.00 0.00 C ATOM 999 C PHE A 62 6.755 7.904 6.324 1.00 0.00 C ATOM 1000 O PHE A 62 7.828 7.867 5.725 1.00 0.00 O ATOM 1001 CB PHE A 62 5.922 5.604 6.859 1.00 0.00 C ATOM 1002 CG PHE A 62 4.674 4.776 7.043 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.744 4.603 6.000 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.439 4.188 8.293 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.569 3.867 6.210 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.282 3.431 8.499 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.356 3.270 7.465 1.00 0.00 C ATOM 0 H PHE A 62 6.472 5.969 4.326 1.00 0.00 H new ATOM 0 HA PHE A 62 4.718 7.267 6.337 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.683 4.998 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.316 5.878 7.838 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.937 5.040 5.031 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.150 4.319 9.095 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.840 3.760 5.421 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.103 2.970 9.459 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.467 2.680 7.632 1.00 0.00 H new ATOM 1017 N HIS A 63 6.419 8.815 7.242 1.00 0.00 N ATOM 1018 CA HIS A 63 7.236 9.935 7.686 1.00 0.00 C ATOM 1019 C HIS A 63 8.118 9.541 8.872 1.00 0.00 C ATOM 1020 O HIS A 63 8.952 10.333 9.309 1.00 0.00 O ATOM 1021 CB HIS A 63 6.275 11.049 8.112 1.00 0.00 C ATOM 1022 CG HIS A 63 5.233 10.561 9.087 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.435 9.558 10.035 1.00 0.00 N ATOM 1024 CD2 HIS A 63 3.945 11.007 9.182 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.265 9.418 10.672 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.358 10.284 10.191 1.00 0.00 N ATOM 0 H HIS A 63 5.518 8.784 7.719 1.00 0.00 H new ATOM 0 HA HIS A 63 7.895 10.258 6.880 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.842 11.862 8.566 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.782 11.458 7.230 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.481 11.776 8.582 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.077 8.707 11.463 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.398 10.387 10.519 1.00 0.00 H new ATOM 1034 N ASP A 64 7.939 8.323 9.390 1.00 0.00 N ATOM 1035 CA ASP A 64 8.657 7.845 10.559 1.00 0.00 C ATOM 1036 C ASP A 64 8.932 6.354 10.400 1.00 0.00 C ATOM 1037 O ASP A 64 8.004 5.554 10.303 1.00 0.00 O ATOM 1038 CB ASP A 64 7.830 8.128 11.815 1.00 0.00 C ATOM 1039 CG ASP A 64 8.609 7.845 13.100 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.510 6.974 13.058 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.301 8.507 14.118 1.00 0.00 O ATOM 0 H ASP A 64 7.286 7.642 9.003 1.00 0.00 H new ATOM 0 HA ASP A 64 9.611 8.363 10.657 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.510 9.170 11.809 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.927 7.517 11.798 1.00 0.00 H new ATOM 1046 N LYS A 65 10.213 5.991 10.369 1.00 0.00 N ATOM 1047 CA LYS A 65 10.648 4.619 10.184 1.00 0.00 C ATOM 1048 C LYS A 65 10.089 3.677 11.247 1.00 0.00 C ATOM 1049 O LYS A 65 9.932 2.492 10.975 1.00 0.00 O ATOM 1050 CB LYS A 65 12.175 4.570 10.169 1.00 0.00 C ATOM 1051 CG LYS A 65 12.754 4.842 11.560 1.00 0.00 C ATOM 1052 CD LYS A 65 14.211 5.299 11.477 1.00 0.00 C ATOM 1053 CE LYS A 65 15.086 4.280 10.755 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.459 4.792 10.587 1.00 0.00 N ATOM 0 H LYS A 65 10.982 6.653 10.473 1.00 0.00 H new ATOM 0 HA LYS A 65 10.256 4.271 9.228 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.506 3.592 9.820 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.558 5.307 9.463 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.159 5.606 12.061 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.688 3.939 12.166 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.262 6.255 10.957 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.598 5.462 12.483 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.108 3.348 11.320 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.657 4.052 9.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.036 4.082 10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.437 5.669 10.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.874 4.987 11.521 1.00 0.00 H new ATOM 1068 N ARG A 66 9.781 4.174 12.447 1.00 0.00 N ATOM 1069 CA ARG A 66 9.306 3.325 13.530 1.00 0.00 C ATOM 1070 C ARG A 66 7.898 2.818 13.237 1.00 0.00 C ATOM 1071 O ARG A 66 7.617 1.628 13.380 1.00 0.00 O ATOM 1072 CB ARG A 66 9.326 4.123 14.833 1.00 0.00 C ATOM 1073 CG ARG A 66 10.731 4.627 15.190 1.00 0.00 C ATOM 1074 CD ARG A 66 11.747 3.488 15.224 1.00 0.00 C ATOM 1075 NE ARG A 66 13.069 3.970 15.650 1.00 0.00 N ATOM 1076 CZ ARG A 66 14.222 3.378 15.341 1.00 0.00 C ATOM 1077 NH1 ARG A 66 14.253 2.267 14.612 1.00 0.00 N ATOM 1078 NH2 ARG A 66 15.362 3.904 15.773 1.00 0.00 N ATOM 0 H ARG A 66 9.854 5.162 12.689 1.00 0.00 H new ATOM 0 HA ARG A 66 9.961 2.459 13.623 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.650 4.973 14.745 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.950 3.499 15.644 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.046 5.374 14.461 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.705 5.121 16.161 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.403 2.710 15.906 1.00 0.00 H new ATOM 0 HD3 ARG A 66 11.823 3.035 14.236 1.00 0.00 H new ATOM 0 HE ARG A 66 13.106 4.815 16.221 1.00 0.00 H new ATOM 0 HH11 ARG A 66 13.383 1.852 14.278 1.00 0.00 H new ATOM 0 HH12 ARG A 66 15.147 1.830 14.387 1.00 0.00 H new ATOM 0 HH21 ARG A 66 15.350 4.754 16.336 1.00 0.00 H new ATOM 0 HH22 ARG A 66 16.250 3.458 15.542 1.00 0.00 H new ATOM 1092 N ASP A 67 7.006 3.721 12.823 1.00 0.00 N ATOM 1093 CA ASP A 67 5.652 3.337 12.459 1.00 0.00 C ATOM 1094 C ASP A 67 5.697 2.481 11.197 1.00 0.00 C ATOM 1095 O ASP A 67 4.829 1.636 10.983 1.00 0.00 O ATOM 1096 CB ASP A 67 4.801 4.586 12.214 1.00 0.00 C ATOM 1097 CG ASP A 67 4.642 5.420 13.486 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.399 4.816 14.553 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.767 6.660 13.379 1.00 0.00 O ATOM 0 H ASP A 67 7.202 4.718 12.734 1.00 0.00 H new ATOM 0 HA ASP A 67 5.205 2.765 13.272 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.262 5.194 11.436 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.818 4.291 11.847 1.00 0.00 H new ATOM 1104 N ALA A 68 6.717 2.697 10.360 1.00 0.00 N ATOM 1105 CA ALA A 68 6.875 1.940 9.134 1.00 0.00 C ATOM 1106 C ALA A 68 7.420 0.542 9.408 1.00 0.00 C ATOM 1107 O ALA A 68 7.076 -0.398 8.697 1.00 0.00 O ATOM 1108 CB ALA A 68 7.841 2.710 8.237 1.00 0.00 C ATOM 0 H ALA A 68 7.444 3.395 10.519 1.00 0.00 H new ATOM 0 HA ALA A 68 5.905 1.819 8.652 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.982 2.166 7.303 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.431 3.697 8.024 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.800 2.817 8.743 1.00 0.00 H new ATOM 1114 N GLU A 69 8.267 0.395 10.435 1.00 0.00 N ATOM 1115 CA GLU A 69 8.842 -0.893 10.794 1.00 0.00 C ATOM 1116 C GLU A 69 7.759 -1.887 11.180 1.00 0.00 C ATOM 1117 O GLU A 69 7.736 -2.999 10.658 1.00 0.00 O ATOM 1118 CB GLU A 69 9.780 -0.730 11.994 1.00 0.00 C ATOM 1119 CG GLU A 69 11.204 -0.392 11.544 1.00 0.00 C ATOM 1120 CD GLU A 69 12.148 -0.294 12.743 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.699 -1.348 13.133 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.313 0.830 13.266 1.00 0.00 O ATOM 0 H GLU A 69 8.567 1.165 11.033 1.00 0.00 H new ATOM 0 HA GLU A 69 9.386 -1.264 9.925 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.406 0.059 12.647 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.790 -1.650 12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.563 -1.157 10.855 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.203 0.552 10.999 1.00 0.00 H new ATOM 1129 N ASP A 70 6.861 -1.501 12.090 1.00 0.00 N ATOM 1130 CA ASP A 70 5.864 -2.449 12.559 1.00 0.00 C ATOM 1131 C ASP A 70 4.836 -2.745 11.469 1.00 0.00 C ATOM 1132 O ASP A 70 4.452 -3.898 11.271 1.00 0.00 O ATOM 1133 CB ASP A 70 5.178 -1.901 13.808 1.00 0.00 C ATOM 1134 CG ASP A 70 6.175 -1.566 14.917 1.00 0.00 C ATOM 1135 OD1 ASP A 70 7.047 -2.423 15.193 1.00 0.00 O ATOM 1136 OD2 ASP A 70 6.055 -0.458 15.485 1.00 0.00 O ATOM 0 H ASP A 70 6.807 -0.569 12.502 1.00 0.00 H new ATOM 0 HA ASP A 70 6.364 -3.385 12.809 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.614 -1.006 13.547 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.460 -2.634 14.177 1.00 0.00 H new ATOM 1141 N ALA A 71 4.384 -1.712 10.752 1.00 0.00 N ATOM 1142 CA ALA A 71 3.412 -1.899 9.690 1.00 0.00 C ATOM 1143 C ALA A 71 3.973 -2.838 8.630 1.00 0.00 C ATOM 1144 O ALA A 71 3.285 -3.754 8.201 1.00 0.00 O ATOM 1145 CB ALA A 71 3.060 -0.542 9.083 1.00 0.00 C ATOM 0 H ALA A 71 4.678 -0.746 10.892 1.00 0.00 H new ATOM 0 HA ALA A 71 2.506 -2.349 10.096 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.330 -0.679 8.285 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.638 0.103 9.854 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.960 -0.081 8.676 1.00 0.00 H new ATOM 1151 N MET A 72 5.222 -2.619 8.202 1.00 0.00 N ATOM 1152 CA MET A 72 5.864 -3.455 7.202 1.00 0.00 C ATOM 1153 C MET A 72 6.047 -4.878 7.715 1.00 0.00 C ATOM 1154 O MET A 72 5.835 -5.830 6.963 1.00 0.00 O ATOM 1155 CB MET A 72 7.220 -2.824 6.888 1.00 0.00 C ATOM 1156 CG MET A 72 8.135 -3.744 6.079 1.00 0.00 C ATOM 1157 SD MET A 72 9.549 -2.890 5.333 1.00 0.00 S ATOM 1158 CE MET A 72 10.021 -1.813 6.707 1.00 0.00 C ATOM 0 H MET A 72 5.808 -1.857 8.543 1.00 0.00 H new ATOM 0 HA MET A 72 5.246 -3.514 6.306 1.00 0.00 H new ATOM 0 HB2 MET A 72 7.064 -1.898 6.335 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.715 -2.558 7.822 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.503 -4.539 6.728 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.552 -4.220 5.291 1.00 0.00 H new ATOM 0 HE1 MET A 72 11.072 -1.542 6.612 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.410 -0.910 6.688 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.865 -2.337 7.650 1.00 0.00 H new ATOM 1168 N ASP A 73 6.434 -5.032 8.985 1.00 0.00 N ATOM 1169 CA ASP A 73 6.604 -6.340 9.593 1.00 0.00 C ATOM 1170 C ASP A 73 5.250 -7.030 9.793 1.00 0.00 C ATOM 1171 O ASP A 73 5.199 -8.191 10.201 1.00 0.00 O ATOM 1172 CB ASP A 73 7.332 -6.183 10.931 1.00 0.00 C ATOM 1173 CG ASP A 73 7.664 -7.538 11.562 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.384 -8.319 10.901 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.195 -7.778 12.698 1.00 0.00 O ATOM 0 H ASP A 73 6.636 -4.253 9.612 1.00 0.00 H new ATOM 0 HA ASP A 73 7.199 -6.967 8.929 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.252 -5.618 10.780 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.712 -5.605 11.616 1.00 0.00 H new ATOM 1180 N ALA A 74 4.152 -6.320 9.510 1.00 0.00 N ATOM 1181 CA ALA A 74 2.807 -6.839 9.674 1.00 0.00 C ATOM 1182 C ALA A 74 1.959 -6.676 8.407 1.00 0.00 C ATOM 1183 O ALA A 74 0.763 -6.962 8.441 1.00 0.00 O ATOM 1184 CB ALA A 74 2.172 -6.111 10.859 1.00 0.00 C ATOM 0 H ALA A 74 4.182 -5.363 9.159 1.00 0.00 H new ATOM 0 HA ALA A 74 2.854 -7.912 9.861 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.157 -6.478 11.010 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.762 -6.294 11.757 1.00 0.00 H new ATOM 0 HB3 ALA A 74 2.144 -5.041 10.656 1.00 0.00 H new ATOM 1190 N MET A 75 2.558 -6.227 7.297 1.00 0.00 N ATOM 1191 CA MET A 75 1.825 -6.002 6.057 1.00 0.00 C ATOM 1192 C MET A 75 2.538 -6.532 4.812 1.00 0.00 C ATOM 1193 O MET A 75 1.889 -6.687 3.778 1.00 0.00 O ATOM 1194 CB MET A 75 1.568 -4.506 5.871 1.00 0.00 C ATOM 1195 CG MET A 75 0.449 -4.010 6.787 1.00 0.00 C ATOM 1196 SD MET A 75 -1.155 -4.800 6.496 1.00 0.00 S ATOM 1197 CE MET A 75 -1.221 -4.648 4.691 1.00 0.00 C ATOM 0 H MET A 75 3.554 -6.013 7.238 1.00 0.00 H new ATOM 0 HA MET A 75 0.893 -6.558 6.156 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.482 -3.950 6.079 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.304 -4.308 4.832 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.742 -4.179 7.823 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.340 -2.933 6.658 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.226 -4.885 4.342 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.968 -3.628 4.402 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.509 -5.340 4.241 1.00 0.00 H new ATOM 1207 N ASP A 76 3.842 -6.818 4.871 1.00 0.00 N ATOM 1208 CA ASP A 76 4.512 -7.388 3.717 1.00 0.00 C ATOM 1209 C ASP A 76 3.985 -8.797 3.454 1.00 0.00 C ATOM 1210 O ASP A 76 4.123 -9.687 4.290 1.00 0.00 O ATOM 1211 CB ASP A 76 6.023 -7.401 3.930 1.00 0.00 C ATOM 1212 CG ASP A 76 6.730 -7.872 2.661 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.529 -7.213 1.615 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.465 -8.881 2.742 1.00 0.00 O ATOM 0 H ASP A 76 4.435 -6.666 5.687 1.00 0.00 H new ATOM 0 HA ASP A 76 4.302 -6.771 2.843 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.368 -6.403 4.198 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.275 -8.060 4.761 1.00 0.00 H new ATOM 1219 N GLY A 77 3.374 -8.991 2.282 1.00 0.00 N ATOM 1220 CA GLY A 77 2.809 -10.272 1.883 1.00 0.00 C ATOM 1221 C GLY A 77 1.560 -10.615 2.691 1.00 0.00 C ATOM 1222 O GLY A 77 1.229 -11.789 2.855 1.00 0.00 O ATOM 0 H GLY A 77 3.260 -8.257 1.583 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.560 -10.245 0.822 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.555 -11.056 2.016 1.00 0.00 H new ATOM 1226 N ALA A 78 0.864 -9.590 3.196 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.294 -9.767 4.059 1.00 0.00 C ATOM 1228 C ALA A 78 -1.590 -9.947 3.260 1.00 0.00 C ATOM 1229 O ALA A 78 -2.659 -10.054 3.856 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.394 -8.572 5.005 1.00 0.00 C ATOM 0 H ALA A 78 1.095 -8.613 3.013 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.160 -10.683 4.635 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.259 -8.695 5.656 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.510 -8.511 5.610 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.505 -7.656 4.424 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.484 -9.976 1.923 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.589 -10.194 0.996 1.00 0.00 C ATOM 1238 C VAL A 79 -3.919 -9.621 1.505 1.00 0.00 C ATOM 1239 O VAL A 79 -4.838 -10.349 1.875 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.650 -11.682 0.589 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.623 -12.628 1.785 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.816 -11.967 -0.334 1.00 0.00 C ATOM 0 H VAL A 79 -0.592 -9.843 1.447 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.397 -9.624 0.087 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.737 -11.881 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.668 -13.659 1.434 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.702 -12.476 2.348 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.479 -12.426 2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.822 -13.025 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.749 -11.712 0.169 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.717 -11.369 -1.240 1.00 0.00 H new ATOM 1252 N LEU A 80 -4.022 -8.288 1.523 1.00 0.00 N ATOM 1253 CA LEU A 80 -5.262 -7.620 1.913 1.00 0.00 C ATOM 1254 C LEU A 80 -6.358 -7.750 0.850 1.00 0.00 C ATOM 1255 O LEU A 80 -7.471 -7.273 1.069 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.995 -6.153 2.281 1.00 0.00 C ATOM 1257 CG LEU A 80 -4.403 -5.303 1.151 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -5.380 -5.003 0.014 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -3.950 -3.961 1.719 1.00 0.00 C ATOM 0 H LEU A 80 -3.263 -7.655 1.272 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.640 -8.128 2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -5.931 -5.699 2.606 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.315 -6.125 3.132 1.00 0.00 H new ATOM 0 HG LEU A 80 -3.582 -5.890 0.739 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.882 -4.398 -0.743 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -5.717 -5.938 -0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -6.239 -4.459 0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -3.528 -3.352 0.920 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.804 -3.444 2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.194 -4.127 2.486 1.00 0.00 H new ATOM 1271 N ASP A 81 -6.064 -8.381 -0.295 1.00 0.00 N ATOM 1272 CA ASP A 81 -7.076 -8.601 -1.321 1.00 0.00 C ATOM 1273 C ASP A 81 -7.015 -10.026 -1.868 1.00 0.00 C ATOM 1274 O ASP A 81 -8.024 -10.731 -1.840 1.00 0.00 O ATOM 1275 CB ASP A 81 -6.928 -7.574 -2.449 1.00 0.00 C ATOM 1276 CG ASP A 81 -7.986 -7.804 -3.524 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -7.724 -8.640 -4.413 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -9.047 -7.148 -3.452 1.00 0.00 O ATOM 0 H ASP A 81 -5.139 -8.743 -0.527 1.00 0.00 H new ATOM 0 HA ASP A 81 -8.055 -8.469 -0.861 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.024 -6.566 -2.046 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.933 -7.648 -2.888 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.853 -10.455 -2.367 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.696 -11.831 -2.835 1.00 0.00 C ATOM 1285 C GLY A 82 -4.588 -11.982 -3.867 1.00 0.00 C ATOM 1286 O GLY A 82 -4.673 -12.840 -4.742 1.00 0.00 O ATOM 0 H GLY A 82 -5.018 -9.876 -2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.483 -12.477 -1.983 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.637 -12.172 -3.267 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.550 -11.147 -3.759 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.419 -11.157 -4.674 1.00 0.00 C ATOM 1292 C ARG A 83 -1.077 -11.016 -3.949 1.00 0.00 C ATOM 1293 O ARG A 83 -0.046 -11.358 -4.519 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.601 -10.026 -5.675 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.799 -8.715 -4.906 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.540 -7.467 -5.744 1.00 0.00 C ATOM 1297 NE ARG A 83 -1.372 -7.602 -6.628 1.00 0.00 N ATOM 1298 CZ ARG A 83 -1.424 -7.988 -7.908 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -2.579 -8.312 -8.487 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -0.305 -8.049 -8.619 1.00 0.00 N ATOM 0 H ARG A 83 -3.476 -10.442 -3.026 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.395 -12.121 -5.182 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.730 -9.954 -6.326 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.462 -10.222 -6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.819 -8.679 -4.523 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.134 -8.707 -4.043 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -3.422 -7.251 -6.347 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.391 -6.615 -5.081 1.00 0.00 H new ATOM 0 HE ARG A 83 -0.455 -7.385 -6.236 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.447 -8.268 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -2.595 -8.604 -9.464 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.587 -7.803 -8.189 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.337 -8.342 -9.595 1.00 0.00 H new ATOM 1314 N GLU A 84 -1.113 -10.518 -2.703 1.00 0.00 N ATOM 1315 CA GLU A 84 -0.030 -10.505 -1.723 1.00 0.00 C ATOM 1316 C GLU A 84 0.668 -9.147 -1.707 1.00 0.00 C ATOM 1317 O GLU A 84 1.608 -8.903 -2.459 1.00 0.00 O ATOM 1318 CB GLU A 84 0.938 -11.684 -1.896 1.00 0.00 C ATOM 1319 CG GLU A 84 1.092 -12.415 -0.566 1.00 0.00 C ATOM 1320 CD GLU A 84 2.234 -13.426 -0.620 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.403 -12.977 -0.595 1.00 0.00 O ATOM 1322 OE2 GLU A 84 1.929 -14.637 -0.686 1.00 0.00 O ATOM 0 H GLU A 84 -1.960 -10.086 -2.334 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.472 -10.648 -0.737 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.563 -12.368 -2.658 1.00 0.00 H new ATOM 0 HB3 GLU A 84 1.908 -11.325 -2.240 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.279 -11.693 0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.162 -12.926 -0.319 1.00 0.00 H new ATOM 1329 N LEU A 85 0.181 -8.262 -0.833 1.00 0.00 N ATOM 1330 CA LEU A 85 0.683 -6.905 -0.640 1.00 0.00 C ATOM 1331 C LEU A 85 2.207 -6.912 -0.488 1.00 0.00 C ATOM 1332 O LEU A 85 2.791 -7.931 -0.119 1.00 0.00 O ATOM 1333 CB LEU A 85 -0.030 -6.360 0.608 1.00 0.00 C ATOM 1334 CG LEU A 85 -0.341 -4.859 0.638 1.00 0.00 C ATOM 1335 CD1 LEU A 85 0.904 -3.992 0.741 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -1.149 -4.429 -0.584 1.00 0.00 C ATOM 0 H LEU A 85 -0.603 -8.482 -0.219 1.00 0.00 H new ATOM 0 HA LEU A 85 0.477 -6.266 -1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.969 -6.902 0.724 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.584 -6.595 1.477 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.932 -4.706 1.541 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.615 -2.941 0.758 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.442 -4.235 1.657 1.00 0.00 H new ATOM 0 HD13 LEU A 85 1.549 -4.177 -0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.351 -3.359 -0.529 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.582 -4.645 -1.490 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -2.092 -4.975 -0.607 1.00 0.00 H new ATOM 1348 N ARG A 86 2.859 -5.785 -0.764 1.00 0.00 N ATOM 1349 CA ARG A 86 4.306 -5.655 -0.649 1.00 0.00 C ATOM 1350 C ARG A 86 4.655 -4.382 0.101 1.00 0.00 C ATOM 1351 O ARG A 86 4.067 -3.329 -0.145 1.00 0.00 O ATOM 1352 CB ARG A 86 4.916 -5.599 -2.050 1.00 0.00 C ATOM 1353 CG ARG A 86 4.713 -6.893 -2.836 1.00 0.00 C ATOM 1354 CD ARG A 86 5.453 -8.050 -2.163 1.00 0.00 C ATOM 1355 NE ARG A 86 5.287 -9.295 -2.919 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.798 -10.429 -2.407 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.402 -10.498 -1.140 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.698 -11.518 -3.164 1.00 0.00 N ATOM 0 H ARG A 86 2.394 -4.932 -1.075 1.00 0.00 H new ATOM 0 HA ARG A 86 4.703 -6.511 -0.103 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.472 -4.771 -2.602 1.00 0.00 H new ATOM 0 HB3 ARG A 86 5.983 -5.392 -1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.649 -7.123 -2.901 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.075 -6.766 -3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.513 -7.809 -2.082 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.078 -8.184 -1.148 1.00 0.00 H new ATOM 0 HE ARG A 86 5.563 -9.296 -3.901 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.468 -9.676 -0.539 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.032 -11.373 -0.768 1.00 0.00 H new ATOM 0 HH21 ARG A 86 4.995 -11.490 -4.139 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.324 -12.381 -2.769 1.00 0.00 H new ATOM 1372 N VAL A 87 5.619 -4.481 1.018 1.00 0.00 N ATOM 1373 CA VAL A 87 6.016 -3.347 1.831 1.00 0.00 C ATOM 1374 C VAL A 87 7.530 -3.314 1.995 1.00 0.00 C ATOM 1375 O VAL A 87 8.163 -4.344 2.226 1.00 0.00 O ATOM 1376 CB VAL A 87 5.337 -3.439 3.200 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.550 -2.113 3.920 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.845 -3.747 3.080 1.00 0.00 C ATOM 0 H VAL A 87 6.135 -5.339 1.211 1.00 0.00 H new ATOM 0 HA VAL A 87 5.706 -2.427 1.336 1.00 0.00 H new ATOM 0 HB VAL A 87 5.780 -4.260 3.764 1.00 0.00 H new ATOM 0 HG11 VAL A 87 5.075 -2.151 4.900 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.618 -1.932 4.041 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.109 -1.306 3.334 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.404 -3.803 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.355 -2.957 2.510 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.710 -4.700 2.569 1.00 0.00 H new ATOM 1388 N GLN A 88 8.099 -2.116 1.873 1.00 0.00 N ATOM 1389 CA GLN A 88 9.533 -1.902 1.947 1.00 0.00 C ATOM 1390 C GLN A 88 9.845 -0.409 2.056 1.00 0.00 C ATOM 1391 O GLN A 88 9.083 0.430 1.586 1.00 0.00 O ATOM 1392 CB GLN A 88 10.191 -2.479 0.685 1.00 0.00 C ATOM 1393 CG GLN A 88 9.470 -2.027 -0.591 1.00 0.00 C ATOM 1394 CD GLN A 88 10.205 -2.477 -1.852 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.413 -2.692 -1.843 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.472 -2.621 -2.951 1.00 0.00 N ATOM 0 H GLN A 88 7.566 -1.260 1.718 1.00 0.00 H new ATOM 0 HA GLN A 88 9.925 -2.403 2.832 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.234 -2.166 0.643 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.187 -3.568 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.457 -2.430 -0.598 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.380 -0.941 -0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.470 -2.434 -2.924 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.912 -2.919 -3.822 1.00 0.00 H new ATOM 1405 N MET A 89 10.973 -0.071 2.679 1.00 0.00 N ATOM 1406 CA MET A 89 11.456 1.295 2.773 1.00 0.00 C ATOM 1407 C MET A 89 11.538 1.928 1.385 1.00 0.00 C ATOM 1408 O MET A 89 11.868 1.263 0.401 1.00 0.00 O ATOM 1409 CB MET A 89 12.815 1.287 3.468 1.00 0.00 C ATOM 1410 CG MET A 89 12.622 0.912 4.934 1.00 0.00 C ATOM 1411 SD MET A 89 12.058 2.295 5.958 1.00 0.00 S ATOM 1412 CE MET A 89 11.272 1.380 7.305 1.00 0.00 C ATOM 0 H MET A 89 11.581 -0.751 3.136 1.00 0.00 H new ATOM 0 HA MET A 89 10.763 1.898 3.360 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.482 0.575 2.982 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.284 2.268 3.389 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.898 0.100 5.002 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.564 0.534 5.332 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.376 1.940 8.234 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.214 1.241 7.082 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.751 0.407 7.412 1.00 0.00 H new ATOM 1422 N ALA A 90 11.232 3.228 1.307 1.00 0.00 N ATOM 1423 CA ALA A 90 11.209 3.962 0.051 1.00 0.00 C ATOM 1424 C ALA A 90 12.591 4.501 -0.322 1.00 0.00 C ATOM 1425 O ALA A 90 12.721 5.187 -1.332 1.00 0.00 O ATOM 1426 CB ALA A 90 10.184 5.092 0.150 1.00 0.00 C ATOM 0 H ALA A 90 10.994 3.796 2.120 1.00 0.00 H new ATOM 0 HA ALA A 90 10.919 3.278 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.162 5.646 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.198 4.672 0.347 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.461 5.764 0.962 1.00 0.00 H new