USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 406 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 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.0332 USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0.1 (180deg=0.0842) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.176 USER MOD Single : A 50 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.4!) USER MOD Single : A 51 THR OG1 : rot -179:sc= 0.225 USER MOD Single : A 57 ASN : amide:sc= -0.367 K(o=-0.37,f=-2.4!) USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 69 GLN : amide:sc= -0.098 K(o=-0.098,f=-2.4!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.697 X(o=-0.7,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 9.093 10.001 3.814 1.00 0.00 N ATOM 230 CA VAL A 22 7.644 9.994 4.162 1.00 0.00 C ATOM 231 C VAL A 22 6.886 9.104 3.175 1.00 0.00 C ATOM 232 O VAL A 22 7.406 8.716 2.148 1.00 0.00 O ATOM 233 CB VAL A 22 7.096 11.420 4.087 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.718 11.473 4.748 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.048 12.369 4.818 1.00 0.00 C ATOM 0 HA VAL A 22 7.515 9.607 5.173 1.00 0.00 H new ATOM 0 HB VAL A 22 7.010 11.722 3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.328 12.489 4.694 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.039 10.796 4.229 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.803 11.172 5.792 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.659 13.386 4.766 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.133 12.066 5.862 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.031 12.332 4.348 1.00 0.00 H new ATOM 245 N VAL A 23 5.659 8.779 3.479 1.00 0.00 N ATOM 246 CA VAL A 23 4.868 7.916 2.559 1.00 0.00 C ATOM 247 C VAL A 23 3.834 8.771 1.824 1.00 0.00 C ATOM 248 O VAL A 23 3.150 9.581 2.418 1.00 0.00 O ATOM 249 CB VAL A 23 4.152 6.831 3.365 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.259 6.009 2.433 1.00 0.00 C ATOM 251 CG2 VAL A 23 5.190 5.914 4.016 1.00 0.00 C ATOM 0 H VAL A 23 5.171 9.074 4.325 1.00 0.00 H new ATOM 0 HA VAL A 23 5.536 7.448 1.835 1.00 0.00 H new ATOM 0 HB VAL A 23 3.540 7.295 4.138 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.749 5.236 3.007 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.521 6.662 1.967 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.871 5.543 1.660 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.682 5.140 4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.801 5.449 3.242 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.827 6.499 4.679 1.00 0.00 H new ATOM 261 N GLU A 24 3.714 8.599 0.537 1.00 0.00 N ATOM 262 CA GLU A 24 2.724 9.407 -0.231 1.00 0.00 C ATOM 263 C GLU A 24 1.406 8.635 -0.333 1.00 0.00 C ATOM 264 O GLU A 24 0.337 9.213 -0.332 1.00 0.00 O ATOM 265 CB GLU A 24 3.266 9.677 -1.636 1.00 0.00 C ATOM 266 CG GLU A 24 2.545 10.886 -2.237 1.00 0.00 C ATOM 267 CD GLU A 24 3.409 12.136 -2.058 1.00 0.00 C ATOM 268 OE1 GLU A 24 4.337 12.306 -2.831 1.00 0.00 O ATOM 269 OE2 GLU A 24 3.127 12.901 -1.150 1.00 0.00 O ATOM 0 H GLU A 24 4.257 7.936 -0.016 1.00 0.00 H new ATOM 0 HA GLU A 24 2.553 10.354 0.281 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.339 9.864 -1.594 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.120 8.801 -2.268 1.00 0.00 H new ATOM 0 HG2 GLU A 24 2.347 10.716 -3.295 1.00 0.00 H new ATOM 0 HG3 GLU A 24 1.579 11.026 -1.751 1.00 0.00 H new ATOM 276 N LYS A 25 1.473 7.335 -0.421 1.00 0.00 N ATOM 277 CA LYS A 25 0.223 6.531 -0.522 1.00 0.00 C ATOM 278 C LYS A 25 0.578 5.073 -0.824 1.00 0.00 C ATOM 279 O LYS A 25 1.684 4.632 -0.579 1.00 0.00 O ATOM 280 CB LYS A 25 -0.650 7.085 -1.650 1.00 0.00 C ATOM 281 CG LYS A 25 -2.083 7.269 -1.144 1.00 0.00 C ATOM 282 CD LYS A 25 -3.068 6.902 -2.256 1.00 0.00 C ATOM 283 CE LYS A 25 -3.363 8.140 -3.104 1.00 0.00 C ATOM 284 NZ LYS A 25 -3.871 7.717 -4.440 1.00 0.00 N ATOM 0 H LYS A 25 2.339 6.795 -0.427 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.321 6.586 0.421 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.251 8.038 -1.998 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.638 6.404 -2.501 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -2.255 6.641 -0.270 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -2.240 8.301 -0.831 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.651 6.112 -2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.991 6.514 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.100 8.769 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.460 8.739 -3.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.072 8.558 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.153 7.134 -4.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -4.743 7.163 -4.320 1.00 0.00 H new ATOM 298 N VAL A 26 -0.349 4.322 -1.352 1.00 0.00 N ATOM 299 CA VAL A 26 -0.058 2.896 -1.667 1.00 0.00 C ATOM 300 C VAL A 26 0.030 2.713 -3.183 1.00 0.00 C ATOM 301 O VAL A 26 -0.348 3.581 -3.947 1.00 0.00 O ATOM 302 CB VAL A 26 -1.175 2.008 -1.115 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.654 0.583 -0.932 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.638 2.552 0.236 1.00 0.00 C ATOM 0 H VAL A 26 -1.293 4.634 -1.578 1.00 0.00 H new ATOM 0 HA VAL A 26 0.890 2.615 -1.209 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.011 2.004 -1.815 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.451 -0.048 -0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.322 0.191 -1.893 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.183 0.588 -0.233 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.434 1.920 0.629 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.800 2.557 0.933 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.011 3.568 0.110 1.00 0.00 H new ATOM 314 N LEU A 27 0.525 1.591 -3.622 1.00 0.00 N ATOM 315 CA LEU A 27 0.639 1.348 -5.088 1.00 0.00 C ATOM 316 C LEU A 27 0.130 -0.059 -5.415 1.00 0.00 C ATOM 317 O LEU A 27 -0.428 -0.296 -6.469 1.00 0.00 O ATOM 318 CB LEU A 27 2.104 1.470 -5.512 1.00 0.00 C ATOM 319 CG LEU A 27 2.309 2.786 -6.264 1.00 0.00 C ATOM 320 CD1 LEU A 27 1.472 2.780 -7.544 1.00 0.00 C ATOM 321 CD2 LEU A 27 1.870 3.953 -5.375 1.00 0.00 C ATOM 0 H LEU A 27 0.856 0.830 -3.029 1.00 0.00 H new ATOM 0 HA LEU A 27 0.041 2.084 -5.625 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.751 1.435 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.381 0.629 -6.147 1.00 0.00 H new ATOM 0 HG LEU A 27 3.363 2.897 -6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.619 3.718 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.782 1.949 -8.177 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.418 2.669 -7.289 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.015 4.892 -5.909 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.816 3.840 -5.120 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.466 3.959 -4.462 1.00 0.00 H new ATOM 333 N ASP A 28 0.318 -0.996 -4.523 1.00 0.00 N ATOM 334 CA ASP A 28 -0.157 -2.382 -4.793 1.00 0.00 C ATOM 335 C ASP A 28 -0.186 -3.177 -3.486 1.00 0.00 C ATOM 336 O ASP A 28 0.235 -2.703 -2.449 1.00 0.00 O ATOM 337 CB ASP A 28 0.793 -3.062 -5.781 1.00 0.00 C ATOM 338 CG ASP A 28 -0.021 -3.772 -6.866 1.00 0.00 C ATOM 339 OD1 ASP A 28 -0.662 -3.084 -7.642 1.00 0.00 O ATOM 340 OD2 ASP A 28 0.013 -4.991 -6.899 1.00 0.00 O ATOM 0 H ASP A 28 0.778 -0.861 -3.623 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.160 -2.345 -5.218 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.455 -2.323 -6.233 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.426 -3.779 -5.258 1.00 0.00 H new ATOM 345 N ARG A 29 -0.680 -4.383 -3.529 1.00 0.00 N ATOM 346 CA ARG A 29 -0.738 -5.211 -2.291 1.00 0.00 C ATOM 347 C ARG A 29 -0.774 -6.692 -2.671 1.00 0.00 C ATOM 348 O ARG A 29 -1.082 -7.047 -3.792 1.00 0.00 O ATOM 349 CB ARG A 29 -1.997 -4.856 -1.497 1.00 0.00 C ATOM 350 CG ARG A 29 -3.229 -5.398 -2.223 1.00 0.00 C ATOM 351 CD ARG A 29 -4.483 -5.079 -1.407 1.00 0.00 C ATOM 352 NE ARG A 29 -5.441 -6.217 -1.502 1.00 0.00 N ATOM 353 CZ ARG A 29 -6.682 -6.056 -1.132 1.00 0.00 C ATOM 354 NH1 ARG A 29 -7.002 -6.139 0.130 1.00 0.00 N ATOM 355 NH2 ARG A 29 -7.604 -5.814 -2.024 1.00 0.00 N ATOM 0 H ARG A 29 -1.046 -4.832 -4.368 1.00 0.00 H new ATOM 0 HA ARG A 29 0.143 -5.014 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.938 -5.278 -0.494 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.075 -3.775 -1.384 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.305 -4.953 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -3.137 -6.475 -2.363 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.216 -4.900 -0.365 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.949 -4.166 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.127 -7.121 -1.856 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.282 -6.330 0.827 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.972 -6.013 0.420 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -7.355 -5.751 -3.011 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -8.574 -5.688 -1.734 1.00 0.00 H new ATOM 369 N ARG A 30 -0.464 -7.561 -1.749 1.00 0.00 N ATOM 370 CA ARG A 30 -0.482 -9.017 -2.062 1.00 0.00 C ATOM 371 C ARG A 30 -0.280 -9.819 -0.776 1.00 0.00 C ATOM 372 O ARG A 30 -0.313 -9.283 0.315 1.00 0.00 O ATOM 373 CB ARG A 30 0.643 -9.340 -3.047 1.00 0.00 C ATOM 374 CG ARG A 30 1.995 -9.133 -2.362 1.00 0.00 C ATOM 375 CD ARG A 30 3.096 -9.791 -3.196 1.00 0.00 C ATOM 376 NE ARG A 30 4.405 -9.633 -2.504 1.00 0.00 N ATOM 377 CZ ARG A 30 5.495 -10.092 -3.055 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.544 -10.277 -4.346 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.535 -10.364 -2.316 1.00 0.00 N ATOM 0 H ARG A 30 -0.199 -7.326 -0.793 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.442 -9.281 -2.506 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.553 -10.369 -3.394 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.567 -8.700 -3.926 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.198 -8.068 -2.248 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.977 -9.563 -1.360 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.874 -10.848 -3.341 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.138 -9.336 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 30 4.450 -9.166 -1.599 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.731 -10.063 -4.923 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.396 -10.636 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.496 -10.218 -1.307 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.387 -10.723 -2.747 1.00 0.00 H new ATOM 393 N VAL A 31 -0.071 -11.103 -0.892 1.00 0.00 N ATOM 394 CA VAL A 31 0.132 -11.938 0.325 1.00 0.00 C ATOM 395 C VAL A 31 1.266 -12.935 0.077 1.00 0.00 C ATOM 396 O VAL A 31 1.454 -13.413 -1.024 1.00 0.00 O ATOM 397 CB VAL A 31 -1.156 -12.700 0.641 1.00 0.00 C ATOM 398 CG1 VAL A 31 -0.880 -13.745 1.722 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.218 -11.717 1.142 1.00 0.00 C ATOM 0 H VAL A 31 -0.032 -11.609 -1.777 1.00 0.00 H new ATOM 0 HA VAL A 31 0.391 -11.296 1.167 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.514 -13.197 -0.260 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.798 -14.287 1.947 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.123 -14.444 1.367 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.522 -13.249 2.624 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.137 -12.258 1.368 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.858 -11.221 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.416 -10.971 0.372 1.00 0.00 H new ATOM 409 N VAL A 32 2.023 -13.250 1.092 1.00 0.00 N ATOM 410 CA VAL A 32 3.144 -14.215 0.914 1.00 0.00 C ATOM 411 C VAL A 32 2.730 -15.584 1.455 1.00 0.00 C ATOM 412 O VAL A 32 3.543 -16.339 1.950 1.00 0.00 O ATOM 413 CB VAL A 32 4.372 -13.717 1.680 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.587 -14.566 1.307 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.641 -12.255 1.313 1.00 0.00 C ATOM 0 H VAL A 32 1.914 -12.881 2.037 1.00 0.00 H new ATOM 0 HA VAL A 32 3.384 -14.300 -0.146 1.00 0.00 H new ATOM 0 HB VAL A 32 4.189 -13.798 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.461 -14.210 1.853 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.396 -15.608 1.566 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.771 -14.486 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.515 -11.898 1.857 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.824 -12.177 0.241 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.775 -11.648 1.579 1.00 0.00 H new ATOM 425 N LYS A 33 1.469 -15.912 1.365 1.00 0.00 N ATOM 426 CA LYS A 33 1.006 -17.233 1.876 1.00 0.00 C ATOM 427 C LYS A 33 1.246 -17.307 3.385 1.00 0.00 C ATOM 428 O LYS A 33 2.019 -18.114 3.860 1.00 0.00 O ATOM 429 CB LYS A 33 1.784 -18.351 1.179 1.00 0.00 C ATOM 430 CG LYS A 33 2.093 -17.940 -0.261 1.00 0.00 C ATOM 431 CD LYS A 33 2.410 -19.184 -1.093 1.00 0.00 C ATOM 432 CE LYS A 33 3.871 -19.141 -1.540 1.00 0.00 C ATOM 433 NZ LYS A 33 4.382 -20.531 -1.703 1.00 0.00 N ATOM 0 H LYS A 33 0.741 -15.323 0.960 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.058 -17.350 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.710 -18.553 1.717 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.202 -19.273 1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.242 -17.411 -0.689 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.938 -17.252 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.225 -20.084 -0.506 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.754 -19.230 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.959 -18.597 -2.481 1.00 0.00 H new ATOM 0 HE3 LYS A 33 4.472 -18.605 -0.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.376 -20.502 -2.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.312 -21.035 -0.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.815 -21.027 -2.420 1.00 0.00 H new ATOM 447 N GLY A 34 0.588 -16.472 4.141 1.00 0.00 N ATOM 448 CA GLY A 34 0.779 -16.495 5.619 1.00 0.00 C ATOM 449 C GLY A 34 0.625 -15.079 6.176 1.00 0.00 C ATOM 450 O GLY A 34 -0.034 -14.862 7.175 1.00 0.00 O ATOM 0 H GLY A 34 -0.074 -15.775 3.800 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.049 -17.160 6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.766 -16.888 5.863 1.00 0.00 H new ATOM 454 N LYS A 35 1.228 -14.112 5.539 1.00 0.00 N ATOM 455 CA LYS A 35 1.115 -12.711 6.033 1.00 0.00 C ATOM 456 C LYS A 35 0.599 -11.812 4.907 1.00 0.00 C ATOM 457 O LYS A 35 0.273 -12.275 3.831 1.00 0.00 O ATOM 458 CB LYS A 35 2.490 -12.218 6.489 1.00 0.00 C ATOM 459 CG LYS A 35 2.963 -13.051 7.682 1.00 0.00 C ATOM 460 CD LYS A 35 2.218 -12.604 8.943 1.00 0.00 C ATOM 461 CE LYS A 35 2.708 -13.419 10.141 1.00 0.00 C ATOM 462 NZ LYS A 35 3.158 -12.494 11.220 1.00 0.00 N ATOM 0 H LYS A 35 1.793 -14.232 4.699 1.00 0.00 H new ATOM 0 HA LYS A 35 0.420 -12.677 6.872 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.206 -12.297 5.671 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.437 -11.165 6.766 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.781 -14.109 7.495 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.038 -12.931 7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 35 2.385 -11.541 9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.145 -12.740 8.812 1.00 0.00 H new ATOM 0 HE2 LYS A 35 1.908 -14.062 10.509 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.528 -14.071 9.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.491 -13.047 12.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.933 -11.898 10.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.364 -11.890 11.513 1.00 0.00 H new ATOM 476 N VAL A 36 0.523 -10.531 5.145 1.00 0.00 N ATOM 477 CA VAL A 36 0.029 -9.606 4.087 1.00 0.00 C ATOM 478 C VAL A 36 1.040 -8.475 3.887 1.00 0.00 C ATOM 479 O VAL A 36 1.431 -7.805 4.823 1.00 0.00 O ATOM 480 CB VAL A 36 -1.318 -9.017 4.513 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.679 -7.844 3.599 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.399 -10.094 4.407 1.00 0.00 C ATOM 0 H VAL A 36 0.781 -10.086 6.026 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.093 -10.154 3.153 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.250 -8.666 5.543 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.638 -7.427 3.905 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -0.909 -7.076 3.672 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.747 -8.193 2.569 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.359 -9.677 4.710 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.464 -10.444 3.377 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.145 -10.930 5.059 1.00 0.00 H new ATOM 492 N GLU A 37 1.469 -8.257 2.674 1.00 0.00 N ATOM 493 CA GLU A 37 2.455 -7.170 2.415 1.00 0.00 C ATOM 494 C GLU A 37 1.759 -6.013 1.695 1.00 0.00 C ATOM 495 O GLU A 37 0.651 -6.144 1.215 1.00 0.00 O ATOM 496 CB GLU A 37 3.589 -7.708 1.540 1.00 0.00 C ATOM 497 CG GLU A 37 4.813 -7.998 2.411 1.00 0.00 C ATOM 498 CD GLU A 37 4.604 -9.314 3.163 1.00 0.00 C ATOM 499 OE1 GLU A 37 3.459 -9.677 3.377 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.593 -9.936 3.514 1.00 0.00 O ATOM 0 H GLU A 37 1.179 -8.785 1.851 1.00 0.00 H new ATOM 0 HA GLU A 37 2.864 -6.816 3.361 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.269 -8.617 1.030 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.843 -6.982 0.768 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.707 -8.059 1.791 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.970 -7.184 3.118 1.00 0.00 H new ATOM 507 N TYR A 38 2.402 -4.879 1.617 1.00 0.00 N ATOM 508 CA TYR A 38 1.776 -3.716 0.928 1.00 0.00 C ATOM 509 C TYR A 38 2.868 -2.832 0.323 1.00 0.00 C ATOM 510 O TYR A 38 3.709 -2.302 1.022 1.00 0.00 O ATOM 511 CB TYR A 38 0.965 -2.902 1.938 1.00 0.00 C ATOM 512 CG TYR A 38 -0.449 -3.429 1.990 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.353 -3.113 0.967 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.859 -4.232 3.063 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.665 -3.602 1.016 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.170 -4.721 3.112 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.075 -4.405 2.089 1.00 0.00 C ATOM 518 OH TYR A 38 -4.366 -4.887 2.137 1.00 0.00 O ATOM 0 H TYR A 38 3.332 -4.709 2.000 1.00 0.00 H new ATOM 0 HA TYR A 38 1.118 -4.075 0.136 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.424 -2.965 2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.962 -1.850 1.654 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.038 -2.493 0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.163 -4.474 3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.361 -3.360 0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.484 -5.342 3.938 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.484 -5.427 2.946 1.00 0.00 H new ATOM 528 N LEU A 39 2.861 -2.665 -0.971 1.00 0.00 N ATOM 529 CA LEU A 39 3.898 -1.813 -1.618 1.00 0.00 C ATOM 530 C LEU A 39 3.491 -0.343 -1.492 1.00 0.00 C ATOM 531 O LEU A 39 2.517 0.092 -2.073 1.00 0.00 O ATOM 532 CB LEU A 39 4.013 -2.185 -3.098 1.00 0.00 C ATOM 533 CG LEU A 39 5.355 -1.695 -3.646 1.00 0.00 C ATOM 534 CD1 LEU A 39 5.429 -0.171 -3.529 1.00 0.00 C ATOM 535 CD2 LEU A 39 6.494 -2.324 -2.840 1.00 0.00 C ATOM 0 H LEU A 39 2.182 -3.082 -1.608 1.00 0.00 H new ATOM 0 HA LEU A 39 4.860 -1.971 -1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.931 -3.265 -3.220 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.194 -1.738 -3.661 1.00 0.00 H new ATOM 0 HG LEU A 39 5.447 -1.983 -4.693 1.00 0.00 H new ATOM 0 HD11 LEU A 39 6.385 0.178 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.618 0.278 -4.102 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.337 0.118 -2.482 1.00 0.00 H new ATOM 0 HD21 LEU A 39 7.451 -1.976 -3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 39 6.402 -2.035 -1.793 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.442 -3.410 -2.923 1.00 0.00 H new ATOM 547 N LEU A 40 4.227 0.424 -0.735 1.00 0.00 N ATOM 548 CA LEU A 40 3.874 1.863 -0.571 1.00 0.00 C ATOM 549 C LEU A 40 4.839 2.727 -1.387 1.00 0.00 C ATOM 550 O LEU A 40 5.948 2.327 -1.683 1.00 0.00 O ATOM 551 CB LEU A 40 3.975 2.248 0.906 1.00 0.00 C ATOM 552 CG LEU A 40 3.109 1.305 1.740 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.423 1.500 3.224 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.631 1.615 1.488 1.00 0.00 C ATOM 0 H LEU A 40 5.055 0.118 -0.224 1.00 0.00 H new ATOM 0 HA LEU A 40 2.855 2.026 -0.923 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.012 2.194 1.237 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.649 3.278 1.047 1.00 0.00 H new ATOM 0 HG LEU A 40 3.319 0.274 1.457 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.805 0.827 3.818 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.475 1.281 3.405 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.213 2.531 3.508 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.012 0.943 2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.422 2.647 1.771 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.405 1.476 0.431 1.00 0.00 H new ATOM 566 N LYS A 41 4.426 3.911 -1.747 1.00 0.00 N ATOM 567 CA LYS A 41 5.318 4.805 -2.538 1.00 0.00 C ATOM 568 C LYS A 41 6.088 5.719 -1.582 1.00 0.00 C ATOM 569 O LYS A 41 5.687 5.931 -0.456 1.00 0.00 O ATOM 570 CB LYS A 41 4.475 5.655 -3.491 1.00 0.00 C ATOM 571 CG LYS A 41 5.348 6.753 -4.105 1.00 0.00 C ATOM 572 CD LYS A 41 4.676 7.290 -5.371 1.00 0.00 C ATOM 573 CE LYS A 41 5.428 8.529 -5.862 1.00 0.00 C ATOM 574 NZ LYS A 41 4.555 9.728 -5.716 1.00 0.00 N ATOM 0 H LYS A 41 3.508 4.298 -1.527 1.00 0.00 H new ATOM 0 HA LYS A 41 6.020 4.205 -3.117 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.053 5.029 -4.277 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.637 6.100 -2.954 1.00 0.00 H new ATOM 0 HG2 LYS A 41 5.494 7.560 -3.387 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.335 6.357 -4.344 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.671 6.524 -6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.636 7.541 -5.165 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.346 8.662 -5.289 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.719 8.402 -6.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.009 10.545 -6.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 3.636 9.546 -6.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.410 9.931 -4.706 1.00 0.00 H new ATOM 588 N TRP A 42 7.192 6.258 -2.018 1.00 0.00 N ATOM 589 CA TRP A 42 7.982 7.151 -1.125 1.00 0.00 C ATOM 590 C TRP A 42 8.212 8.499 -1.810 1.00 0.00 C ATOM 591 O TRP A 42 8.551 8.566 -2.976 1.00 0.00 O ATOM 592 CB TRP A 42 9.330 6.496 -0.819 1.00 0.00 C ATOM 593 CG TRP A 42 9.097 5.147 -0.218 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.169 3.974 -0.889 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.754 4.813 1.158 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.893 2.941 -0.011 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.632 3.407 1.262 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.542 5.587 2.315 1.00 0.00 C ATOM 599 CZ2 TRP A 42 8.311 2.789 2.472 1.00 0.00 C ATOM 600 CZ3 TRP A 42 8.217 4.968 3.536 1.00 0.00 C ATOM 601 CH2 TRP A 42 8.103 3.572 3.612 1.00 0.00 C ATOM 0 H TRP A 42 7.581 6.120 -2.951 1.00 0.00 H new ATOM 0 HA TRP A 42 7.433 7.311 -0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 42 9.918 6.404 -1.732 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.903 7.119 -0.132 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.403 3.863 -1.937 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.884 1.955 -0.272 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.629 6.662 2.265 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.224 1.714 2.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.055 5.570 4.418 1.00 0.00 H new ATOM 0 HH2 TRP A 42 7.854 3.101 4.552 1.00 0.00 H new ATOM 612 N LYS A 43 8.031 9.574 -1.094 1.00 0.00 N ATOM 613 CA LYS A 43 8.238 10.919 -1.699 1.00 0.00 C ATOM 614 C LYS A 43 9.602 11.465 -1.274 1.00 0.00 C ATOM 615 O LYS A 43 10.169 12.323 -1.923 1.00 0.00 O ATOM 616 CB LYS A 43 7.138 11.868 -1.218 1.00 0.00 C ATOM 617 CG LYS A 43 7.282 12.098 0.288 1.00 0.00 C ATOM 618 CD LYS A 43 6.229 13.105 0.753 1.00 0.00 C ATOM 619 CE LYS A 43 6.515 14.470 0.124 1.00 0.00 C ATOM 620 NZ LYS A 43 6.651 15.494 1.199 1.00 0.00 N ATOM 0 H LYS A 43 7.748 9.579 -0.114 1.00 0.00 H new ATOM 0 HA LYS A 43 8.201 10.839 -2.785 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.205 12.817 -1.749 1.00 0.00 H new ATOM 0 HB3 LYS A 43 6.157 11.447 -1.440 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.162 11.156 0.824 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.281 12.469 0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 43 5.234 12.763 0.469 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.241 13.184 1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.429 14.425 -0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 43 5.708 14.745 -0.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 6.845 16.422 0.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.768 15.543 1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.435 15.232 1.830 1.00 0.00 H new ATOM 634 N GLY A 44 10.135 10.977 -0.187 1.00 0.00 N ATOM 635 CA GLY A 44 11.462 11.470 0.280 1.00 0.00 C ATOM 636 C GLY A 44 12.576 10.732 -0.466 1.00 0.00 C ATOM 637 O GLY A 44 13.630 11.277 -0.725 1.00 0.00 O ATOM 0 H GLY A 44 9.709 10.258 0.398 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.544 12.543 0.107 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.563 11.312 1.354 1.00 0.00 H new ATOM 641 N PHE A 45 12.352 9.493 -0.813 1.00 0.00 N ATOM 642 CA PHE A 45 13.399 8.723 -1.541 1.00 0.00 C ATOM 643 C PHE A 45 13.153 8.824 -3.047 1.00 0.00 C ATOM 644 O PHE A 45 13.615 9.737 -3.702 1.00 0.00 O ATOM 645 CB PHE A 45 13.345 7.256 -1.109 1.00 0.00 C ATOM 646 CG PHE A 45 13.839 7.131 0.312 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.157 7.481 0.629 1.00 0.00 C ATOM 648 CD2 PHE A 45 12.977 6.665 1.314 1.00 0.00 C ATOM 649 CE1 PHE A 45 15.615 7.366 1.948 1.00 0.00 C ATOM 650 CE2 PHE A 45 13.435 6.549 2.634 1.00 0.00 C ATOM 651 CZ PHE A 45 14.754 6.899 2.951 1.00 0.00 C ATOM 0 H PHE A 45 11.490 8.982 -0.624 1.00 0.00 H new ATOM 0 HA PHE A 45 14.381 9.134 -1.307 1.00 0.00 H new ATOM 0 HB2 PHE A 45 12.324 6.881 -1.185 1.00 0.00 H new ATOM 0 HB3 PHE A 45 13.958 6.647 -1.773 1.00 0.00 H new ATOM 0 HD1 PHE A 45 15.821 7.840 -0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.960 6.395 1.069 1.00 0.00 H new ATOM 0 HE1 PHE A 45 16.631 7.637 2.192 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.771 6.190 3.406 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.107 6.809 3.968 1.00 0.00 H new ATOM 661 N SER A 46 12.428 7.892 -3.604 1.00 0.00 N ATOM 662 CA SER A 46 12.155 7.937 -5.068 1.00 0.00 C ATOM 663 C SER A 46 10.646 7.864 -5.307 1.00 0.00 C ATOM 664 O SER A 46 9.899 7.380 -4.479 1.00 0.00 O ATOM 665 CB SER A 46 12.837 6.752 -5.752 1.00 0.00 C ATOM 666 OG SER A 46 12.049 5.584 -5.560 1.00 0.00 O ATOM 0 H SER A 46 12.014 7.102 -3.109 1.00 0.00 H new ATOM 0 HA SER A 46 12.545 8.867 -5.481 1.00 0.00 H new ATOM 0 HB2 SER A 46 12.959 6.952 -6.817 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.835 6.604 -5.339 1.00 0.00 H new ATOM 0 HG SER A 46 12.482 4.822 -5.998 1.00 0.00 H new ATOM 672 N ASP A 47 10.189 8.340 -6.433 1.00 0.00 N ATOM 673 CA ASP A 47 8.730 8.297 -6.722 1.00 0.00 C ATOM 674 C ASP A 47 8.251 6.844 -6.706 1.00 0.00 C ATOM 675 O ASP A 47 7.069 6.570 -6.644 1.00 0.00 O ATOM 676 CB ASP A 47 8.464 8.906 -8.101 1.00 0.00 C ATOM 677 CG ASP A 47 7.950 10.338 -7.937 1.00 0.00 C ATOM 678 OD1 ASP A 47 6.963 10.516 -7.244 1.00 0.00 O ATOM 679 OD2 ASP A 47 8.554 11.231 -8.507 1.00 0.00 O ATOM 0 H ASP A 47 10.764 8.757 -7.165 1.00 0.00 H new ATOM 0 HA ASP A 47 8.192 8.866 -5.964 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.378 8.902 -8.694 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.732 8.305 -8.640 1.00 0.00 H new ATOM 684 N GLU A 48 9.160 5.911 -6.762 1.00 0.00 N ATOM 685 CA GLU A 48 8.759 4.477 -6.749 1.00 0.00 C ATOM 686 C GLU A 48 9.917 3.631 -6.219 1.00 0.00 C ATOM 687 O GLU A 48 10.703 3.093 -6.973 1.00 0.00 O ATOM 688 CB GLU A 48 8.410 4.033 -8.171 1.00 0.00 C ATOM 689 CG GLU A 48 9.410 4.640 -9.156 1.00 0.00 C ATOM 690 CD GLU A 48 9.198 4.028 -10.542 1.00 0.00 C ATOM 691 OE1 GLU A 48 8.216 3.326 -10.715 1.00 0.00 O ATOM 692 OE2 GLU A 48 10.023 4.272 -11.407 1.00 0.00 O ATOM 0 H GLU A 48 10.164 6.080 -6.816 1.00 0.00 H new ATOM 0 HA GLU A 48 7.889 4.347 -6.105 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.431 2.945 -8.239 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.398 4.349 -8.424 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.281 5.721 -9.201 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.429 4.454 -8.817 1.00 0.00 H new ATOM 699 N ASP A 49 10.027 3.507 -4.925 1.00 0.00 N ATOM 700 CA ASP A 49 11.132 2.694 -4.345 1.00 0.00 C ATOM 701 C ASP A 49 10.657 1.251 -4.168 1.00 0.00 C ATOM 702 O ASP A 49 11.437 0.357 -3.908 1.00 0.00 O ATOM 703 CB ASP A 49 11.532 3.273 -2.988 1.00 0.00 C ATOM 704 CG ASP A 49 13.055 3.377 -2.904 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.719 2.583 -3.550 1.00 0.00 O ATOM 706 OD2 ASP A 49 13.532 4.246 -2.193 1.00 0.00 O ATOM 0 H ASP A 49 9.399 3.934 -4.244 1.00 0.00 H new ATOM 0 HA ASP A 49 11.993 2.715 -5.013 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.082 4.257 -2.854 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.156 2.639 -2.185 1.00 0.00 H new ATOM 711 N ASN A 50 9.381 1.019 -4.310 1.00 0.00 N ATOM 712 CA ASN A 50 8.852 -0.364 -4.153 1.00 0.00 C ATOM 713 C ASN A 50 9.330 -0.954 -2.825 1.00 0.00 C ATOM 714 O ASN A 50 10.394 -1.533 -2.738 1.00 0.00 O ATOM 715 CB ASN A 50 9.353 -1.235 -5.308 1.00 0.00 C ATOM 716 CG ASN A 50 8.213 -1.477 -6.298 1.00 0.00 C ATOM 717 OD1 ASN A 50 7.238 -0.752 -6.309 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.295 -2.473 -7.138 1.00 0.00 N ATOM 0 H ASN A 50 8.682 1.729 -4.528 1.00 0.00 H new ATOM 0 HA ASN A 50 7.762 -0.336 -4.162 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.187 -0.746 -5.811 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.724 -2.186 -4.926 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.541 -2.642 -7.803 1.00 0.00 H new ATOM 0 HD22 ASN A 50 9.113 -3.082 -7.129 1.00 0.00 H new ATOM 725 N THR A 51 8.547 -0.815 -1.790 1.00 0.00 N ATOM 726 CA THR A 51 8.952 -1.373 -0.469 1.00 0.00 C ATOM 727 C THR A 51 7.779 -2.150 0.130 1.00 0.00 C ATOM 728 O THR A 51 6.773 -1.582 0.510 1.00 0.00 O ATOM 729 CB THR A 51 9.345 -0.232 0.472 1.00 0.00 C ATOM 730 OG1 THR A 51 10.383 0.534 -0.125 1.00 0.00 O ATOM 731 CG2 THR A 51 9.836 -0.811 1.800 1.00 0.00 C ATOM 0 H THR A 51 7.645 -0.339 -1.802 1.00 0.00 H new ATOM 0 HA THR A 51 9.804 -2.040 -0.600 1.00 0.00 H new ATOM 0 HB THR A 51 8.480 0.405 0.654 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.647 1.257 0.482 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.116 0.002 2.470 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.040 -1.400 2.256 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.702 -1.448 1.621 1.00 0.00 H new ATOM 739 N TRP A 52 7.897 -3.448 0.214 1.00 0.00 N ATOM 740 CA TRP A 52 6.788 -4.263 0.784 1.00 0.00 C ATOM 741 C TRP A 52 6.922 -4.316 2.308 1.00 0.00 C ATOM 742 O TRP A 52 7.953 -4.680 2.838 1.00 0.00 O ATOM 743 CB TRP A 52 6.855 -5.681 0.216 1.00 0.00 C ATOM 744 CG TRP A 52 6.596 -5.641 -1.256 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.550 -5.659 -2.216 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.319 -5.575 -1.955 1.00 0.00 C ATOM 747 NE1 TRP A 52 6.939 -5.609 -3.452 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.573 -5.556 -3.346 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.978 -5.530 -1.525 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.544 -5.496 -4.276 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.932 -5.468 -2.464 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.216 -5.451 -3.838 1.00 0.00 C ATOM 0 H TRP A 52 8.714 -3.978 -0.088 1.00 0.00 H new ATOM 0 HA TRP A 52 5.832 -3.810 0.521 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.835 -6.117 0.412 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.119 -6.317 0.708 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.615 -5.705 -2.043 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.443 -5.611 -4.339 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.752 -5.543 -0.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.768 -5.484 -5.333 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.907 -5.433 -2.126 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.411 -5.403 -4.556 1.00 0.00 H new ATOM 763 N GLU A 53 5.887 -3.956 3.016 1.00 0.00 N ATOM 764 CA GLU A 53 5.953 -3.986 4.504 1.00 0.00 C ATOM 765 C GLU A 53 4.792 -4.824 5.049 1.00 0.00 C ATOM 766 O GLU A 53 3.782 -4.980 4.391 1.00 0.00 O ATOM 767 CB GLU A 53 5.852 -2.559 5.050 1.00 0.00 C ATOM 768 CG GLU A 53 7.175 -1.828 4.813 1.00 0.00 C ATOM 769 CD GLU A 53 7.551 -1.036 6.066 1.00 0.00 C ATOM 770 OE1 GLU A 53 8.200 -1.605 6.930 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.185 0.125 6.143 1.00 0.00 O ATOM 0 H GLU A 53 4.998 -3.642 2.628 1.00 0.00 H new ATOM 0 HA GLU A 53 6.899 -4.428 4.816 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.037 -2.027 4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.622 -2.581 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.961 -2.544 4.573 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.084 -1.157 3.959 1.00 0.00 H new ATOM 778 N PRO A 54 4.974 -5.339 6.238 1.00 0.00 N ATOM 779 CA PRO A 54 3.959 -6.169 6.906 1.00 0.00 C ATOM 780 C PRO A 54 2.853 -5.290 7.496 1.00 0.00 C ATOM 781 O PRO A 54 3.108 -4.399 8.282 1.00 0.00 O ATOM 782 CB PRO A 54 4.745 -6.877 8.013 1.00 0.00 C ATOM 783 CG PRO A 54 5.998 -6.006 8.281 1.00 0.00 C ATOM 784 CD PRO A 54 6.208 -5.140 7.024 1.00 0.00 C ATOM 0 HA PRO A 54 3.463 -6.866 6.231 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.141 -6.978 8.915 1.00 0.00 H new ATOM 0 HB3 PRO A 54 5.029 -7.883 7.705 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.854 -5.381 9.163 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.871 -6.631 8.472 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.351 -4.091 7.282 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.090 -5.454 6.467 1.00 0.00 H new ATOM 792 N GLU A 55 1.626 -5.531 7.122 1.00 0.00 N ATOM 793 CA GLU A 55 0.506 -4.708 7.661 1.00 0.00 C ATOM 794 C GLU A 55 0.336 -4.993 9.155 1.00 0.00 C ATOM 795 O GLU A 55 -0.341 -4.272 9.861 1.00 0.00 O ATOM 796 CB GLU A 55 -0.787 -5.062 6.924 1.00 0.00 C ATOM 797 CG GLU A 55 -1.157 -6.520 7.210 1.00 0.00 C ATOM 798 CD GLU A 55 -2.175 -6.575 8.349 1.00 0.00 C ATOM 799 OE1 GLU A 55 -2.494 -5.526 8.885 1.00 0.00 O ATOM 800 OE2 GLU A 55 -2.619 -7.666 8.668 1.00 0.00 O ATOM 0 H GLU A 55 1.351 -6.262 6.466 1.00 0.00 H new ATOM 0 HA GLU A 55 0.729 -3.651 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.593 -4.402 7.245 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.659 -4.912 5.852 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.572 -6.983 6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.265 -7.087 7.478 1.00 0.00 H new ATOM 807 N GLU A 56 0.945 -6.040 9.641 1.00 0.00 N ATOM 808 CA GLU A 56 0.817 -6.369 11.089 1.00 0.00 C ATOM 809 C GLU A 56 1.730 -5.452 11.907 1.00 0.00 C ATOM 810 O GLU A 56 1.824 -5.569 13.113 1.00 0.00 O ATOM 811 CB GLU A 56 1.224 -7.826 11.318 1.00 0.00 C ATOM 812 CG GLU A 56 0.211 -8.752 10.642 1.00 0.00 C ATOM 813 CD GLU A 56 -0.793 -9.256 11.680 1.00 0.00 C ATOM 814 OE1 GLU A 56 -0.392 -10.025 12.538 1.00 0.00 O ATOM 815 OE2 GLU A 56 -1.945 -8.865 11.599 1.00 0.00 O ATOM 0 H GLU A 56 1.525 -6.681 9.099 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.217 -6.225 11.402 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.221 -8.004 10.914 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.270 -8.038 12.386 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.309 -8.220 9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.725 -9.594 10.179 1.00 0.00 H new ATOM 822 N ASN A 57 2.404 -4.538 11.262 1.00 0.00 N ATOM 823 CA ASN A 57 3.309 -3.617 12.007 1.00 0.00 C ATOM 824 C ASN A 57 3.106 -2.187 11.502 1.00 0.00 C ATOM 825 O ASN A 57 3.132 -1.240 12.264 1.00 0.00 O ATOM 826 CB ASN A 57 4.763 -4.036 11.779 1.00 0.00 C ATOM 827 CG ASN A 57 5.248 -4.866 12.970 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.750 -4.722 14.068 1.00 0.00 O ATOM 829 ND2 ASN A 57 6.207 -5.734 12.797 1.00 0.00 N ATOM 0 H ASN A 57 2.367 -4.390 10.254 1.00 0.00 H new ATOM 0 HA ASN A 57 3.080 -3.664 13.072 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.845 -4.616 10.860 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.392 -3.154 11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.538 -6.292 13.584 1.00 0.00 H new ATOM 0 HD22 ASN A 57 6.625 -5.855 11.875 1.00 0.00 H new ATOM 836 N LEU A 58 2.904 -2.023 10.224 1.00 0.00 N ATOM 837 CA LEU A 58 2.699 -0.654 9.673 1.00 0.00 C ATOM 838 C LEU A 58 1.475 -0.016 10.331 1.00 0.00 C ATOM 839 O LEU A 58 0.558 -0.696 10.749 1.00 0.00 O ATOM 840 CB LEU A 58 2.477 -0.743 8.161 1.00 0.00 C ATOM 841 CG LEU A 58 3.733 -0.265 7.431 1.00 0.00 C ATOM 842 CD1 LEU A 58 3.626 -0.615 5.946 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.869 1.251 7.589 1.00 0.00 C ATOM 0 H LEU A 58 2.872 -2.777 9.538 1.00 0.00 H new ATOM 0 HA LEU A 58 3.579 -0.044 9.877 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.247 -1.770 7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.621 -0.133 7.872 1.00 0.00 H new ATOM 0 HG LEU A 58 4.608 -0.755 7.857 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.521 -0.274 5.426 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.530 -1.695 5.833 1.00 0.00 H new ATOM 0 HD13 LEU A 58 2.750 -0.126 5.519 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.764 1.592 7.069 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.993 1.741 7.164 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.947 1.501 8.647 1.00 0.00 H new ATOM 855 N ASP A 59 1.452 1.284 10.429 1.00 0.00 N ATOM 856 CA ASP A 59 0.286 1.963 11.061 1.00 0.00 C ATOM 857 C ASP A 59 -0.347 2.929 10.059 1.00 0.00 C ATOM 858 O ASP A 59 -0.683 4.049 10.387 1.00 0.00 O ATOM 859 CB ASP A 59 0.757 2.742 12.292 1.00 0.00 C ATOM 860 CG ASP A 59 -0.209 2.495 13.452 1.00 0.00 C ATOM 861 OD1 ASP A 59 -0.485 1.341 13.733 1.00 0.00 O ATOM 862 OD2 ASP A 59 -0.657 3.467 14.040 1.00 0.00 O ATOM 0 H ASP A 59 2.190 1.906 10.099 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.450 1.217 11.361 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.764 2.430 12.570 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.805 3.807 12.065 1.00 0.00 H new ATOM 867 N CYS A 60 -0.514 2.504 8.836 1.00 0.00 N ATOM 868 CA CYS A 60 -1.126 3.398 7.813 1.00 0.00 C ATOM 869 C CYS A 60 -2.367 2.722 7.220 1.00 0.00 C ATOM 870 O CYS A 60 -2.334 2.239 6.105 1.00 0.00 O ATOM 871 CB CYS A 60 -0.113 3.669 6.700 1.00 0.00 C ATOM 872 SG CYS A 60 0.869 5.130 7.122 1.00 0.00 S ATOM 0 H CYS A 60 -0.253 1.576 8.501 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.413 4.340 8.280 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.539 2.805 6.568 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.630 3.826 5.753 1.00 0.00 H new ATOM 0 HG CYS A 60 1.732 5.360 6.178 1.00 0.00 H new ATOM 878 N PRO A 61 -3.426 2.710 7.989 1.00 0.00 N ATOM 879 CA PRO A 61 -4.700 2.100 7.573 1.00 0.00 C ATOM 880 C PRO A 61 -5.449 3.031 6.615 1.00 0.00 C ATOM 881 O PRO A 61 -6.498 2.696 6.102 1.00 0.00 O ATOM 882 CB PRO A 61 -5.467 1.939 8.889 1.00 0.00 C ATOM 883 CG PRO A 61 -4.852 2.958 9.879 1.00 0.00 C ATOM 884 CD PRO A 61 -3.450 3.302 9.342 1.00 0.00 C ATOM 0 HA PRO A 61 -4.572 1.157 7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.530 2.130 8.745 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.375 0.922 9.271 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.471 3.853 9.948 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.790 2.535 10.882 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.290 4.380 9.308 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.667 2.883 9.974 1.00 0.00 H new ATOM 892 N ASP A 62 -4.915 4.196 6.366 1.00 0.00 N ATOM 893 CA ASP A 62 -5.596 5.143 5.440 1.00 0.00 C ATOM 894 C ASP A 62 -5.143 4.858 4.008 1.00 0.00 C ATOM 895 O ASP A 62 -5.910 4.965 3.071 1.00 0.00 O ATOM 896 CB ASP A 62 -5.228 6.579 5.816 1.00 0.00 C ATOM 897 CG ASP A 62 -6.494 7.346 6.204 1.00 0.00 C ATOM 898 OD1 ASP A 62 -7.222 6.856 7.051 1.00 0.00 O ATOM 899 OD2 ASP A 62 -6.713 8.409 5.648 1.00 0.00 O ATOM 0 H ASP A 62 -4.038 4.532 6.764 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.676 5.016 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.521 6.579 6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.735 7.071 4.977 1.00 0.00 H new ATOM 904 N LEU A 63 -3.906 4.486 3.830 1.00 0.00 N ATOM 905 CA LEU A 63 -3.412 4.189 2.461 1.00 0.00 C ATOM 906 C LEU A 63 -3.841 2.776 2.079 1.00 0.00 C ATOM 907 O LEU A 63 -4.161 2.498 0.940 1.00 0.00 O ATOM 908 CB LEU A 63 -1.886 4.289 2.430 1.00 0.00 C ATOM 909 CG LEU A 63 -1.419 5.360 3.418 1.00 0.00 C ATOM 910 CD1 LEU A 63 0.057 5.678 3.166 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.252 6.629 3.226 1.00 0.00 C ATOM 0 H LEU A 63 -3.218 4.375 4.574 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.829 4.907 1.754 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.444 3.326 2.686 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.549 4.537 1.424 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.544 4.993 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.390 6.441 3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.652 4.775 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.181 6.045 2.147 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -1.920 7.392 3.930 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.127 6.996 2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.304 6.404 3.404 1.00 0.00 H new ATOM 923 N ILE A 64 -3.859 1.880 3.027 1.00 0.00 N ATOM 924 CA ILE A 64 -4.277 0.487 2.722 1.00 0.00 C ATOM 925 C ILE A 64 -5.755 0.488 2.330 1.00 0.00 C ATOM 926 O ILE A 64 -6.162 -0.176 1.398 1.00 0.00 O ATOM 927 CB ILE A 64 -4.075 -0.391 3.958 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.616 -0.300 4.414 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.410 -1.844 3.614 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.467 -0.960 5.786 1.00 0.00 C ATOM 0 H ILE A 64 -3.602 2.054 3.999 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.677 0.092 1.902 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.730 -0.047 4.758 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.966 -0.792 3.690 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.304 0.743 4.465 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.266 -2.469 4.495 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.448 -1.911 3.288 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.755 -2.189 2.814 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.428 -0.895 6.110 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -3.105 -0.449 6.507 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.762 -2.007 5.720 1.00 0.00 H new ATOM 942 N ALA A 65 -6.560 1.237 3.034 1.00 0.00 N ATOM 943 CA ALA A 65 -8.011 1.291 2.703 1.00 0.00 C ATOM 944 C ALA A 65 -8.252 2.377 1.652 1.00 0.00 C ATOM 945 O ALA A 65 -9.361 2.576 1.196 1.00 0.00 O ATOM 946 CB ALA A 65 -8.812 1.615 3.966 1.00 0.00 C ATOM 0 H ALA A 65 -6.274 1.814 3.825 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.331 0.326 2.310 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.874 1.654 3.723 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.639 0.842 4.715 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.494 2.580 4.361 1.00 0.00 H new ATOM 952 N GLU A 66 -7.224 3.081 1.262 1.00 0.00 N ATOM 953 CA GLU A 66 -7.399 4.151 0.240 1.00 0.00 C ATOM 954 C GLU A 66 -7.030 3.600 -1.139 1.00 0.00 C ATOM 955 O GLU A 66 -7.489 4.084 -2.154 1.00 0.00 O ATOM 956 CB GLU A 66 -6.488 5.334 0.578 1.00 0.00 C ATOM 957 CG GLU A 66 -6.423 6.289 -0.616 1.00 0.00 C ATOM 958 CD GLU A 66 -5.919 7.656 -0.151 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.325 7.715 0.913 1.00 0.00 O ATOM 960 OE2 GLU A 66 -6.138 8.621 -0.864 1.00 0.00 O ATOM 0 H GLU A 66 -6.272 2.961 1.607 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.437 4.483 0.234 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.866 5.858 1.456 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.488 4.977 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.759 5.886 -1.381 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.409 6.388 -1.069 1.00 0.00 H new ATOM 967 N PHE A 67 -6.206 2.589 -1.182 1.00 0.00 N ATOM 968 CA PHE A 67 -5.809 2.009 -2.495 1.00 0.00 C ATOM 969 C PHE A 67 -6.583 0.711 -2.734 1.00 0.00 C ATOM 970 O PHE A 67 -6.859 0.341 -3.858 1.00 0.00 O ATOM 971 CB PHE A 67 -4.309 1.713 -2.491 1.00 0.00 C ATOM 972 CG PHE A 67 -3.947 0.931 -3.731 1.00 0.00 C ATOM 973 CD1 PHE A 67 -3.636 1.605 -4.919 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.922 -0.470 -3.692 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.300 0.879 -6.069 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.586 -1.196 -4.843 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.275 -0.522 -6.031 1.00 0.00 C ATOM 0 H PHE A 67 -5.791 2.140 -0.365 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.036 2.720 -3.289 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.744 2.644 -2.458 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.042 1.146 -1.599 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -3.655 2.684 -4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -4.161 -0.990 -2.776 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.060 1.399 -6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.567 -2.275 -4.814 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.016 -1.082 -6.918 1.00 0.00 H new ATOM 987 N LEU A 68 -6.936 0.015 -1.687 1.00 0.00 N ATOM 988 CA LEU A 68 -7.689 -1.258 -1.864 1.00 0.00 C ATOM 989 C LEU A 68 -9.114 -0.943 -2.330 1.00 0.00 C ATOM 990 O LEU A 68 -9.811 -1.794 -2.847 1.00 0.00 O ATOM 991 CB LEU A 68 -7.715 -2.030 -0.533 1.00 0.00 C ATOM 992 CG LEU A 68 -8.875 -1.554 0.350 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.172 -2.237 -0.092 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.585 -1.922 1.807 1.00 0.00 C ATOM 0 H LEU A 68 -6.736 0.272 -0.720 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.200 -1.877 -2.617 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.815 -3.098 -0.729 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.770 -1.890 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.982 -0.473 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.995 -1.897 0.537 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.381 -1.983 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.065 -3.318 0.003 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.408 -1.585 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.479 -3.003 1.895 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.661 -1.440 2.127 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.550 0.274 -2.152 1.00 0.00 N ATOM 1007 CA GLN A 69 -10.927 0.643 -2.586 1.00 0.00 C ATOM 1008 C GLN A 69 -10.921 0.953 -4.084 1.00 0.00 C ATOM 1009 O GLN A 69 -11.830 0.593 -4.805 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.391 1.878 -1.810 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.918 1.967 -1.855 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.425 2.686 -0.604 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -12.643 3.161 0.196 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.709 2.788 -0.401 1.00 0.00 N ATOM 0 H GLN A 69 -9.012 1.028 -1.725 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.607 -0.186 -2.389 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.050 1.820 -0.776 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -10.951 2.777 -2.241 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.235 2.503 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.349 0.968 -1.913 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.365 2.389 -1.073 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.058 3.267 0.430 1.00 0.00 H new ATOM 1023 N SER A 70 -9.902 1.616 -4.559 1.00 0.00 N ATOM 1024 CA SER A 70 -9.839 1.946 -6.010 1.00 0.00 C ATOM 1025 C SER A 70 -9.868 0.652 -6.826 1.00 0.00 C ATOM 1026 O SER A 70 -10.369 0.615 -7.931 1.00 0.00 O ATOM 1027 CB SER A 70 -8.547 2.706 -6.305 1.00 0.00 C ATOM 1028 OG SER A 70 -8.457 3.832 -5.442 1.00 0.00 O ATOM 0 H SER A 70 -9.111 1.943 -4.005 1.00 0.00 H new ATOM 0 HA SER A 70 -10.693 2.567 -6.280 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.686 2.053 -6.161 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.531 3.029 -7.346 1.00 0.00 H new ATOM 0 HG SER A 70 -7.628 4.321 -5.628 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.334 -0.411 -6.289 1.00 0.00 N ATOM 1035 CA GLN A 71 -9.333 -1.701 -7.034 1.00 0.00 C ATOM 1036 C GLN A 71 -10.770 -2.074 -7.399 1.00 0.00 C ATOM 1037 O GLN A 71 -11.027 -2.661 -8.431 1.00 0.00 O ATOM 1038 CB GLN A 71 -8.727 -2.797 -6.156 1.00 0.00 C ATOM 1039 CG GLN A 71 -7.374 -3.223 -6.731 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.573 -3.802 -8.132 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -6.805 -3.523 -9.032 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.579 -4.603 -8.358 1.00 0.00 N ATOM 0 H GLN A 71 -8.899 -0.442 -5.367 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.741 -1.598 -7.943 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -8.602 -2.433 -5.136 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -9.400 -3.653 -6.109 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -6.699 -2.368 -6.772 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.909 -3.965 -6.082 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.224 -4.837 -7.603 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.720 -4.994 -9.289 1.00 0.00 H new