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+ 153:sc= -0.0696 (180deg=-0.538) 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= -0.466 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -25:sc= 0.858! USER MOD Single : A 50 ASN : amide:sc= -0.26 K(o=-0.26,f=-1) USER MOD Single : A 51 THR OG1 : rot -69:sc= 1.51 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 CYS SG : rot 180:sc= -0.0923 USER MOD Single : A 69 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0.023 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 9.904 9.758 3.721 1.00 0.00 N ATOM 230 CA VAL A 22 8.465 9.972 4.047 1.00 0.00 C ATOM 231 C VAL A 22 7.596 9.064 3.179 1.00 0.00 C ATOM 232 O VAL A 22 8.045 8.532 2.181 1.00 0.00 O ATOM 233 CB VAL A 22 8.097 11.433 3.788 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.708 11.721 4.361 1.00 0.00 C ATOM 235 CG2 VAL A 22 9.122 12.346 4.461 1.00 0.00 C ATOM 0 HA VAL A 22 8.294 9.733 5.097 1.00 0.00 H new ATOM 0 HB VAL A 22 8.093 11.619 2.714 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.447 12.763 4.176 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.975 11.072 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.711 11.533 5.435 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.859 13.387 4.276 1.00 0.00 H new ATOM 0 HG22 VAL A 22 9.127 12.158 5.535 1.00 0.00 H new ATOM 0 HG23 VAL A 22 10.112 12.144 4.053 1.00 0.00 H new ATOM 245 N VAL A 23 6.358 8.886 3.535 1.00 0.00 N ATOM 246 CA VAL A 23 5.464 8.017 2.726 1.00 0.00 C ATOM 247 C VAL A 23 4.680 8.881 1.749 1.00 0.00 C ATOM 248 O VAL A 23 4.001 9.814 2.134 1.00 0.00 O ATOM 249 CB VAL A 23 4.490 7.281 3.651 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.538 6.424 2.812 1.00 0.00 C ATOM 251 CG2 VAL A 23 5.275 6.375 4.603 1.00 0.00 C ATOM 0 H VAL A 23 5.924 9.307 4.356 1.00 0.00 H new ATOM 0 HA VAL A 23 6.060 7.288 2.177 1.00 0.00 H new ATOM 0 HB VAL A 23 3.918 8.009 4.226 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.845 5.900 3.470 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.978 7.064 2.130 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.113 5.697 2.238 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.582 5.851 5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.846 5.648 4.025 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.957 6.980 5.201 1.00 0.00 H new ATOM 261 N GLU A 24 4.766 8.591 0.481 1.00 0.00 N ATOM 262 CA GLU A 24 4.028 9.413 -0.518 1.00 0.00 C ATOM 263 C GLU A 24 2.648 8.799 -0.756 1.00 0.00 C ATOM 264 O GLU A 24 1.681 9.499 -0.980 1.00 0.00 O ATOM 265 CB GLU A 24 4.809 9.436 -1.831 1.00 0.00 C ATOM 266 CG GLU A 24 5.025 10.888 -2.269 1.00 0.00 C ATOM 267 CD GLU A 24 3.666 11.568 -2.461 1.00 0.00 C ATOM 268 OE1 GLU A 24 2.747 10.899 -2.900 1.00 0.00 O ATOM 269 OE2 GLU A 24 3.575 12.749 -2.161 1.00 0.00 O ATOM 0 H GLU A 24 5.314 7.823 0.094 1.00 0.00 H new ATOM 0 HA GLU A 24 3.915 10.431 -0.145 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.769 8.936 -1.705 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.264 8.890 -2.601 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.609 11.423 -1.520 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.594 10.919 -3.198 1.00 0.00 H new ATOM 276 N LYS A 25 2.544 7.498 -0.708 1.00 0.00 N ATOM 277 CA LYS A 25 1.223 6.845 -0.931 1.00 0.00 C ATOM 278 C LYS A 25 1.430 5.366 -1.249 1.00 0.00 C ATOM 279 O LYS A 25 2.541 4.868 -1.256 1.00 0.00 O ATOM 280 CB LYS A 25 0.512 7.519 -2.105 1.00 0.00 C ATOM 281 CG LYS A 25 -0.708 8.288 -1.593 1.00 0.00 C ATOM 282 CD LYS A 25 -0.788 9.646 -2.295 1.00 0.00 C ATOM 283 CE LYS A 25 -1.460 9.476 -3.656 1.00 0.00 C ATOM 284 NZ LYS A 25 -2.911 9.188 -3.464 1.00 0.00 N ATOM 0 H LYS A 25 3.318 6.859 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 25 0.616 6.943 -0.031 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.195 8.198 -2.615 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.203 6.770 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.617 7.716 -1.781 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.636 8.428 -0.514 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.352 10.351 -1.684 1.00 0.00 H new ATOM 0 HD3 LYS A 25 0.212 10.062 -2.420 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.334 10.381 -4.251 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.987 8.663 -4.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.443 9.514 -4.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.049 8.164 -3.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.255 9.685 -2.617 1.00 0.00 H new ATOM 298 N VAL A 26 0.369 4.656 -1.507 1.00 0.00 N ATOM 299 CA VAL A 26 0.502 3.208 -1.827 1.00 0.00 C ATOM 300 C VAL A 26 0.326 3.003 -3.333 1.00 0.00 C ATOM 301 O VAL A 26 -0.219 3.842 -4.022 1.00 0.00 O ATOM 302 CB VAL A 26 -0.574 2.421 -1.080 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.232 0.934 -1.099 1.00 0.00 C ATOM 304 CG2 VAL A 26 -0.631 2.904 0.371 1.00 0.00 C ATOM 0 H VAL A 26 -0.586 5.016 -1.510 1.00 0.00 H new ATOM 0 HA VAL A 26 1.488 2.857 -1.523 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.538 2.577 -1.564 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.002 0.377 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.181 0.586 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.732 0.776 -0.615 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.397 2.347 0.910 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.337 2.743 0.846 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.873 3.966 0.392 1.00 0.00 H new ATOM 314 N LEU A 27 0.789 1.898 -3.851 1.00 0.00 N ATOM 315 CA LEU A 27 0.648 1.648 -5.313 1.00 0.00 C ATOM 316 C LEU A 27 0.049 0.257 -5.542 1.00 0.00 C ATOM 317 O LEU A 27 -0.690 0.039 -6.481 1.00 0.00 O ATOM 318 CB LEU A 27 2.029 1.722 -5.976 1.00 0.00 C ATOM 319 CG LEU A 27 2.414 3.185 -6.180 1.00 0.00 C ATOM 320 CD1 LEU A 27 3.940 3.309 -6.222 1.00 0.00 C ATOM 321 CD2 LEU A 27 1.827 3.690 -7.502 1.00 0.00 C ATOM 0 H LEU A 27 1.258 1.159 -3.326 1.00 0.00 H new ATOM 0 HA LEU A 27 -0.009 2.401 -5.748 1.00 0.00 H new ATOM 0 HB2 LEU A 27 2.771 1.222 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.014 1.201 -6.933 1.00 0.00 H new ATOM 0 HG LEU A 27 2.021 3.781 -5.356 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.216 4.353 -6.368 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.360 2.950 -5.282 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.331 2.712 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.102 4.735 -7.647 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.219 3.094 -8.326 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.741 3.601 -7.475 1.00 0.00 H new ATOM 333 N ASP A 28 0.358 -0.683 -4.691 1.00 0.00 N ATOM 334 CA ASP A 28 -0.200 -2.054 -4.869 1.00 0.00 C ATOM 335 C ASP A 28 -0.151 -2.804 -3.536 1.00 0.00 C ATOM 336 O ASP A 28 0.144 -2.234 -2.504 1.00 0.00 O ATOM 337 CB ASP A 28 0.633 -2.813 -5.907 1.00 0.00 C ATOM 338 CG ASP A 28 0.642 -2.034 -7.222 1.00 0.00 C ATOM 339 OD1 ASP A 28 -0.415 -1.888 -7.809 1.00 0.00 O ATOM 340 OD2 ASP A 28 1.709 -1.595 -7.620 1.00 0.00 O ATOM 0 H ASP A 28 0.970 -0.562 -3.884 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.233 -1.982 -5.209 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.652 -2.946 -5.544 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.218 -3.808 -6.065 1.00 0.00 H new ATOM 345 N ARG A 29 -0.436 -4.075 -3.550 1.00 0.00 N ATOM 346 CA ARG A 29 -0.410 -4.861 -2.289 1.00 0.00 C ATOM 347 C ARG A 29 -0.280 -6.349 -2.618 1.00 0.00 C ATOM 348 O ARG A 29 -0.724 -6.807 -3.651 1.00 0.00 O ATOM 349 CB ARG A 29 -1.700 -4.624 -1.508 1.00 0.00 C ATOM 350 CG ARG A 29 -2.881 -5.224 -2.278 1.00 0.00 C ATOM 351 CD ARG A 29 -4.189 -4.868 -1.573 1.00 0.00 C ATOM 352 NE ARG A 29 -4.918 -6.116 -1.223 1.00 0.00 N ATOM 353 CZ ARG A 29 -6.206 -6.081 -0.999 1.00 0.00 C ATOM 354 NH1 ARG A 29 -7.044 -6.099 -1.997 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.651 -6.022 0.228 1.00 0.00 N ATOM 0 H ARG A 29 -0.687 -4.605 -4.385 1.00 0.00 H new ATOM 0 HA ARG A 29 0.441 -4.545 -1.685 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.628 -5.078 -0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.855 -3.556 -1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.892 -4.844 -3.300 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.774 -6.307 -2.342 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.984 -4.289 -0.672 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.805 -4.243 -2.220 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.413 -7.000 -1.158 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.696 -6.140 -2.955 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -8.048 -6.072 -1.820 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.994 -6.003 1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -7.655 -5.995 0.406 1.00 0.00 H new ATOM 369 N ARG A 30 0.327 -7.110 -1.746 1.00 0.00 N ATOM 370 CA ARG A 30 0.483 -8.568 -2.012 1.00 0.00 C ATOM 371 C ARG A 30 -0.205 -9.368 -0.905 1.00 0.00 C ATOM 372 O ARG A 30 -0.490 -8.854 0.157 1.00 0.00 O ATOM 373 CB ARG A 30 1.971 -8.920 -2.053 1.00 0.00 C ATOM 374 CG ARG A 30 2.139 -10.355 -2.565 1.00 0.00 C ATOM 375 CD ARG A 30 3.385 -10.436 -3.445 1.00 0.00 C ATOM 376 NE ARG A 30 4.578 -10.012 -2.657 1.00 0.00 N ATOM 377 CZ ARG A 30 5.685 -9.691 -3.274 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.960 -10.218 -4.433 1.00 0.00 N ATOM 379 NH2 ARG A 30 6.511 -8.840 -2.728 1.00 0.00 N ATOM 0 H ARG A 30 0.720 -6.785 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 30 0.025 -8.814 -2.970 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.503 -8.225 -2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.407 -8.823 -1.059 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.228 -11.045 -1.725 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.259 -10.656 -3.133 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.520 -11.454 -3.810 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.268 -9.797 -4.320 1.00 0.00 H new ATOM 0 HE ARG A 30 4.530 -9.973 -1.639 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.312 -10.881 -4.859 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.823 -9.968 -4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.292 -8.427 -1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.375 -8.588 -3.208 1.00 0.00 H new ATOM 393 N VAL A 31 -0.469 -10.622 -1.144 1.00 0.00 N ATOM 394 CA VAL A 31 -1.136 -11.455 -0.105 1.00 0.00 C ATOM 395 C VAL A 31 -0.782 -12.925 -0.326 1.00 0.00 C ATOM 396 O VAL A 31 -1.228 -13.541 -1.277 1.00 0.00 O ATOM 397 CB VAL A 31 -2.653 -11.273 -0.200 1.00 0.00 C ATOM 398 CG1 VAL A 31 -3.346 -12.308 0.687 1.00 0.00 C ATOM 399 CG2 VAL A 31 -3.026 -9.868 0.274 1.00 0.00 C ATOM 0 H VAL A 31 -0.252 -11.107 -2.015 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.796 -11.145 0.883 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.972 -11.407 -1.234 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.426 -12.179 0.620 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -3.079 -13.311 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.028 -12.173 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.106 -9.736 0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.708 -9.736 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.531 -9.128 -0.355 1.00 0.00 H new ATOM 409 N VAL A 32 0.012 -13.493 0.536 1.00 0.00 N ATOM 410 CA VAL A 32 0.391 -14.926 0.370 1.00 0.00 C ATOM 411 C VAL A 32 -0.443 -15.787 1.325 1.00 0.00 C ATOM 412 O VAL A 32 0.074 -16.636 2.022 1.00 0.00 O ATOM 413 CB VAL A 32 1.877 -15.098 0.693 1.00 0.00 C ATOM 414 CG1 VAL A 32 2.409 -16.350 -0.009 1.00 0.00 C ATOM 415 CG2 VAL A 32 2.649 -13.874 0.201 1.00 0.00 C ATOM 0 H VAL A 32 0.416 -13.028 1.349 1.00 0.00 H new ATOM 0 HA VAL A 32 0.203 -15.237 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 32 2.006 -15.202 1.770 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.467 -16.474 0.220 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.858 -17.224 0.339 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.281 -16.245 -1.086 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.708 -13.995 0.430 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.521 -13.772 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.270 -12.981 0.698 1.00 0.00 H new ATOM 425 N LYS A 33 -1.731 -15.574 1.358 1.00 0.00 N ATOM 426 CA LYS A 33 -2.592 -16.378 2.265 1.00 0.00 C ATOM 427 C LYS A 33 -2.055 -16.293 3.695 1.00 0.00 C ATOM 428 O LYS A 33 -1.791 -17.294 4.330 1.00 0.00 O ATOM 429 CB LYS A 33 -2.592 -17.837 1.809 1.00 0.00 C ATOM 430 CG LYS A 33 -3.318 -17.954 0.464 1.00 0.00 C ATOM 431 CD LYS A 33 -2.918 -19.259 -0.220 1.00 0.00 C ATOM 432 CE LYS A 33 -1.791 -18.990 -1.217 1.00 0.00 C ATOM 433 NZ LYS A 33 -2.325 -19.059 -2.607 1.00 0.00 N ATOM 0 H LYS A 33 -2.221 -14.878 0.796 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.609 -15.986 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.568 -18.199 1.714 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.083 -18.462 2.555 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.397 -17.928 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.066 -17.106 -0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.593 -19.987 0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.777 -19.690 -0.734 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -1.355 -18.008 -1.032 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -0.994 -19.722 -1.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -1.557 -18.876 -3.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.721 -20.005 -2.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -3.071 -18.344 -2.728 1.00 0.00 H new ATOM 447 N GLY A 34 -1.886 -15.102 4.204 1.00 0.00 N ATOM 448 CA GLY A 34 -1.366 -14.953 5.593 1.00 0.00 C ATOM 449 C GLY A 34 -0.308 -13.847 5.622 1.00 0.00 C ATOM 450 O GLY A 34 0.072 -13.364 6.670 1.00 0.00 O ATOM 0 H GLY A 34 -2.085 -14.227 3.718 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.181 -14.710 6.275 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.934 -15.894 5.935 1.00 0.00 H new ATOM 454 N LYS A 35 0.173 -13.444 4.480 1.00 0.00 N ATOM 455 CA LYS A 35 1.208 -12.372 4.443 1.00 0.00 C ATOM 456 C LYS A 35 0.717 -11.219 3.558 1.00 0.00 C ATOM 457 O LYS A 35 1.063 -11.125 2.398 1.00 0.00 O ATOM 458 CB LYS A 35 2.508 -12.934 3.867 1.00 0.00 C ATOM 459 CG LYS A 35 3.112 -13.934 4.855 1.00 0.00 C ATOM 460 CD LYS A 35 4.598 -13.630 5.046 1.00 0.00 C ATOM 461 CE LYS A 35 5.021 -14.021 6.464 1.00 0.00 C ATOM 462 NZ LYS A 35 6.418 -14.543 6.439 1.00 0.00 N ATOM 0 H LYS A 35 -0.105 -13.810 3.570 1.00 0.00 H new ATOM 0 HA LYS A 35 1.387 -12.007 5.454 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.314 -13.422 2.912 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.213 -12.125 3.675 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.592 -13.875 5.811 1.00 0.00 H new ATOM 0 HG3 LYS A 35 2.983 -14.951 4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.190 -14.180 4.314 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.788 -12.570 4.878 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.956 -13.157 7.126 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.345 -14.779 6.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 6.706 -14.809 7.402 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 6.466 -15.378 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 7.057 -13.807 6.077 1.00 0.00 H new ATOM 476 N VAL A 36 -0.090 -10.346 4.096 1.00 0.00 N ATOM 477 CA VAL A 36 -0.602 -9.206 3.290 1.00 0.00 C ATOM 478 C VAL A 36 0.425 -8.074 3.296 1.00 0.00 C ATOM 479 O VAL A 36 0.513 -7.305 4.236 1.00 0.00 O ATOM 480 CB VAL A 36 -1.916 -8.706 3.888 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.384 -7.463 3.129 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.978 -9.800 3.773 1.00 0.00 C ATOM 0 H VAL A 36 -0.417 -10.375 5.062 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.773 -9.535 2.265 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.763 -8.455 4.938 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.321 -7.107 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.629 -6.681 3.210 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.536 -7.714 2.079 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.915 -9.443 4.200 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.129 -10.051 2.723 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.647 -10.687 4.314 1.00 0.00 H new ATOM 492 N GLU A 37 1.201 -7.958 2.253 1.00 0.00 N ATOM 493 CA GLU A 37 2.219 -6.867 2.198 1.00 0.00 C ATOM 494 C GLU A 37 1.630 -5.653 1.476 1.00 0.00 C ATOM 495 O GLU A 37 0.480 -5.655 1.086 1.00 0.00 O ATOM 496 CB GLU A 37 3.454 -7.363 1.442 1.00 0.00 C ATOM 497 CG GLU A 37 4.382 -8.107 2.406 1.00 0.00 C ATOM 498 CD GLU A 37 4.268 -9.610 2.165 1.00 0.00 C ATOM 499 OE1 GLU A 37 3.268 -10.030 1.604 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.185 -10.322 2.547 1.00 0.00 O ATOM 0 H GLU A 37 1.175 -8.570 1.437 1.00 0.00 H new ATOM 0 HA GLU A 37 2.502 -6.582 3.211 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.154 -8.023 0.628 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.980 -6.521 0.992 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.412 -7.782 2.260 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.117 -7.872 3.437 1.00 0.00 H new ATOM 507 N TYR A 38 2.406 -4.619 1.301 1.00 0.00 N ATOM 508 CA TYR A 38 1.885 -3.411 0.605 1.00 0.00 C ATOM 509 C TYR A 38 3.044 -2.642 -0.029 1.00 0.00 C ATOM 510 O TYR A 38 3.926 -2.152 0.646 1.00 0.00 O ATOM 511 CB TYR A 38 1.168 -2.512 1.616 1.00 0.00 C ATOM 512 CG TYR A 38 -0.283 -2.917 1.714 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.189 -2.509 0.731 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.718 -3.704 2.790 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.537 -2.889 0.819 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.065 -4.084 2.879 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.974 -3.675 1.894 1.00 0.00 C ATOM 518 OH TYR A 38 -4.299 -4.047 1.986 1.00 0.00 O ATOM 0 H TYR A 38 3.376 -4.559 1.610 1.00 0.00 H new ATOM 0 HA TYR A 38 1.186 -3.715 -0.174 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.645 -2.593 2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.245 -1.469 1.309 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.852 -1.902 -0.096 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.017 -4.017 3.549 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.237 -2.576 0.059 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.402 -4.691 3.706 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.431 -4.590 2.791 1.00 0.00 H new ATOM 528 N LEU A 39 3.048 -2.531 -1.330 1.00 0.00 N ATOM 529 CA LEU A 39 4.144 -1.786 -2.012 1.00 0.00 C ATOM 530 C LEU A 39 3.816 -0.294 -2.022 1.00 0.00 C ATOM 531 O LEU A 39 2.922 0.146 -2.716 1.00 0.00 O ATOM 532 CB LEU A 39 4.281 -2.292 -3.453 1.00 0.00 C ATOM 533 CG LEU A 39 5.609 -1.812 -4.039 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.086 -2.810 -5.096 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.414 -0.441 -4.685 1.00 0.00 C ATOM 0 H LEU A 39 2.340 -2.924 -1.950 1.00 0.00 H new ATOM 0 HA LEU A 39 5.082 -1.946 -1.480 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.235 -3.381 -3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.451 -1.927 -4.058 1.00 0.00 H new ATOM 0 HG LEU A 39 6.353 -1.737 -3.246 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.033 -2.471 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.223 -3.789 -4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.342 -2.883 -5.890 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.360 -0.098 -5.103 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.672 -0.516 -5.480 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.070 0.270 -3.933 1.00 0.00 H new ATOM 547 N LEU A 40 4.523 0.489 -1.254 1.00 0.00 N ATOM 548 CA LEU A 40 4.233 1.950 -1.220 1.00 0.00 C ATOM 549 C LEU A 40 5.472 2.738 -1.652 1.00 0.00 C ATOM 550 O LEU A 40 6.583 2.245 -1.601 1.00 0.00 O ATOM 551 CB LEU A 40 3.841 2.363 0.200 1.00 0.00 C ATOM 552 CG LEU A 40 4.878 1.831 1.186 1.00 0.00 C ATOM 553 CD1 LEU A 40 5.277 2.940 2.157 1.00 0.00 C ATOM 554 CD2 LEU A 40 4.273 0.664 1.973 1.00 0.00 C ATOM 0 H LEU A 40 5.286 0.182 -0.651 1.00 0.00 H new ATOM 0 HA LEU A 40 3.412 2.165 -1.904 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.779 3.449 0.271 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.854 1.971 0.446 1.00 0.00 H new ATOM 0 HG LEU A 40 5.759 1.492 0.640 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.017 2.559 2.860 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.702 3.776 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.397 3.278 2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.010 0.280 2.679 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.394 1.009 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.984 -0.129 1.283 1.00 0.00 H new ATOM 566 N LYS A 41 5.288 3.958 -2.070 1.00 0.00 N ATOM 567 CA LYS A 41 6.452 4.786 -2.499 1.00 0.00 C ATOM 568 C LYS A 41 6.829 5.749 -1.374 1.00 0.00 C ATOM 569 O LYS A 41 6.303 5.677 -0.281 1.00 0.00 O ATOM 570 CB LYS A 41 6.070 5.590 -3.746 1.00 0.00 C ATOM 571 CG LYS A 41 4.949 6.568 -3.395 1.00 0.00 C ATOM 572 CD LYS A 41 3.785 6.382 -4.372 1.00 0.00 C ATOM 573 CE LYS A 41 3.125 7.732 -4.649 1.00 0.00 C ATOM 574 NZ LYS A 41 2.085 7.571 -5.703 1.00 0.00 N ATOM 0 H LYS A 41 4.381 4.420 -2.134 1.00 0.00 H new ATOM 0 HA LYS A 41 7.298 4.138 -2.726 1.00 0.00 H new ATOM 0 HB2 LYS A 41 6.937 6.133 -4.122 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.746 4.918 -4.541 1.00 0.00 H new ATOM 0 HG2 LYS A 41 4.611 6.398 -2.373 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.318 7.593 -3.443 1.00 0.00 H new ATOM 0 HD2 LYS A 41 4.145 5.945 -5.303 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.055 5.688 -3.955 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.675 8.123 -3.736 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.874 8.456 -4.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.636 8.490 -5.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.527 7.216 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.365 6.894 -5.380 1.00 0.00 H new ATOM 588 N TRP A 42 7.740 6.647 -1.626 1.00 0.00 N ATOM 589 CA TRP A 42 8.146 7.613 -0.563 1.00 0.00 C ATOM 590 C TRP A 42 8.429 8.975 -1.201 1.00 0.00 C ATOM 591 O TRP A 42 8.648 9.079 -2.392 1.00 0.00 O ATOM 592 CB TRP A 42 9.405 7.098 0.137 1.00 0.00 C ATOM 593 CG TRP A 42 9.134 5.756 0.731 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.980 4.608 0.030 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.984 5.396 2.136 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.743 3.570 0.911 1.00 0.00 N ATOM 597 CE2 TRP A 42 8.733 4.003 2.223 1.00 0.00 C ATOM 598 CE3 TRP A 42 9.032 6.137 3.335 1.00 0.00 C ATOM 599 CZ2 TRP A 42 8.547 3.373 3.449 1.00 0.00 C ATOM 600 CZ3 TRP A 42 8.846 5.504 4.569 1.00 0.00 C ATOM 601 CH2 TRP A 42 8.602 4.123 4.631 1.00 0.00 C ATOM 0 H TRP A 42 8.221 6.755 -2.519 1.00 0.00 H new ATOM 0 HA TRP A 42 7.344 7.715 0.168 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.228 7.032 -0.575 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.712 7.796 0.916 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.034 4.518 -1.045 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.594 2.602 0.627 1.00 0.00 H new ATOM 0 HE3 TRP A 42 9.214 7.201 3.300 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 8.361 2.310 3.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.890 6.082 5.480 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.457 3.641 5.586 1.00 0.00 H new ATOM 612 N LYS A 43 8.432 10.016 -0.416 1.00 0.00 N ATOM 613 CA LYS A 43 8.703 11.373 -0.976 1.00 0.00 C ATOM 614 C LYS A 43 9.864 11.291 -1.968 1.00 0.00 C ATOM 615 O LYS A 43 10.948 10.862 -1.631 1.00 0.00 O ATOM 616 CB LYS A 43 9.071 12.330 0.162 1.00 0.00 C ATOM 617 CG LYS A 43 10.312 11.806 0.883 1.00 0.00 C ATOM 618 CD LYS A 43 11.485 12.759 0.643 1.00 0.00 C ATOM 619 CE LYS A 43 12.086 13.177 1.985 1.00 0.00 C ATOM 620 NZ LYS A 43 13.530 13.497 1.805 1.00 0.00 N ATOM 0 H LYS A 43 8.259 9.988 0.589 1.00 0.00 H new ATOM 0 HA LYS A 43 7.813 11.741 -1.487 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.261 13.328 -0.234 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.240 12.417 0.862 1.00 0.00 H new ATOM 0 HG2 LYS A 43 10.114 11.718 1.951 1.00 0.00 H new ATOM 0 HG3 LYS A 43 10.561 10.808 0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 43 12.243 12.272 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.147 13.638 0.095 1.00 0.00 H new ATOM 0 HE2 LYS A 43 11.557 14.045 2.378 1.00 0.00 H new ATOM 0 HE3 LYS A 43 11.968 12.375 2.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.939 13.781 2.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.030 12.658 1.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 13.631 14.276 1.123 1.00 0.00 H new ATOM 634 N GLY A 44 9.643 11.690 -3.191 1.00 0.00 N ATOM 635 CA GLY A 44 10.735 11.629 -4.198 1.00 0.00 C ATOM 636 C GLY A 44 11.141 10.167 -4.415 1.00 0.00 C ATOM 637 O GLY A 44 12.308 9.847 -4.530 1.00 0.00 O ATOM 0 H GLY A 44 8.754 12.055 -3.534 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.404 12.070 -5.138 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.592 12.210 -3.858 1.00 0.00 H new ATOM 641 N PHE A 45 10.186 9.284 -4.467 1.00 0.00 N ATOM 642 CA PHE A 45 10.510 7.842 -4.670 1.00 0.00 C ATOM 643 C PHE A 45 9.265 7.107 -5.171 1.00 0.00 C ATOM 644 O PHE A 45 8.936 6.034 -4.704 1.00 0.00 O ATOM 645 CB PHE A 45 10.960 7.231 -3.342 1.00 0.00 C ATOM 646 CG PHE A 45 12.362 7.695 -3.022 1.00 0.00 C ATOM 647 CD1 PHE A 45 13.396 7.477 -3.938 1.00 0.00 C ATOM 648 CD2 PHE A 45 12.622 8.343 -1.807 1.00 0.00 C ATOM 649 CE1 PHE A 45 14.696 7.905 -3.641 1.00 0.00 C ATOM 650 CE2 PHE A 45 13.923 8.774 -1.510 1.00 0.00 C ATOM 651 CZ PHE A 45 14.963 8.555 -2.428 1.00 0.00 C ATOM 0 H PHE A 45 9.192 9.497 -4.378 1.00 0.00 H new ATOM 0 HA PHE A 45 11.310 7.748 -5.405 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.278 7.525 -2.545 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.931 6.143 -3.402 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.192 6.979 -4.874 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.822 8.510 -1.101 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.494 7.734 -4.348 1.00 0.00 H new ATOM 0 HE2 PHE A 45 14.125 9.275 -0.575 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.965 8.886 -2.200 1.00 0.00 H new ATOM 661 N SER A 46 8.579 7.672 -6.121 1.00 0.00 N ATOM 662 CA SER A 46 7.358 7.009 -6.657 1.00 0.00 C ATOM 663 C SER A 46 7.749 5.728 -7.385 1.00 0.00 C ATOM 664 O SER A 46 8.489 5.752 -8.350 1.00 0.00 O ATOM 665 CB SER A 46 6.663 7.950 -7.632 1.00 0.00 C ATOM 666 OG SER A 46 7.097 7.661 -8.955 1.00 0.00 O ATOM 0 H SER A 46 8.811 8.567 -6.552 1.00 0.00 H new ATOM 0 HA SER A 46 6.685 6.767 -5.834 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.582 7.834 -7.558 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.891 8.986 -7.380 1.00 0.00 H new ATOM 0 HG SER A 46 7.986 7.250 -8.925 1.00 0.00 H new ATOM 672 N ASP A 47 7.274 4.604 -6.924 1.00 0.00 N ATOM 673 CA ASP A 47 7.636 3.324 -7.585 1.00 0.00 C ATOM 674 C ASP A 47 9.150 3.129 -7.500 1.00 0.00 C ATOM 675 O ASP A 47 9.719 2.274 -8.151 1.00 0.00 O ATOM 676 CB ASP A 47 7.203 3.361 -9.050 1.00 0.00 C ATOM 677 CG ASP A 47 5.804 3.957 -9.156 1.00 0.00 C ATOM 678 OD1 ASP A 47 5.672 5.152 -8.958 1.00 0.00 O ATOM 679 OD2 ASP A 47 4.881 3.208 -9.429 1.00 0.00 O ATOM 0 H ASP A 47 6.652 4.519 -6.120 1.00 0.00 H new ATOM 0 HA ASP A 47 7.131 2.497 -7.086 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.907 3.955 -9.633 1.00 0.00 H new ATOM 0 HB3 ASP A 47 7.213 2.354 -9.468 1.00 0.00 H new ATOM 684 N GLU A 48 9.808 3.922 -6.703 1.00 0.00 N ATOM 685 CA GLU A 48 11.283 3.797 -6.565 1.00 0.00 C ATOM 686 C GLU A 48 11.607 2.975 -5.317 1.00 0.00 C ATOM 687 O GLU A 48 12.362 2.027 -5.360 1.00 0.00 O ATOM 688 CB GLU A 48 11.893 5.190 -6.429 1.00 0.00 C ATOM 689 CG GLU A 48 12.374 5.675 -7.799 1.00 0.00 C ATOM 690 CD GLU A 48 13.581 6.594 -7.621 1.00 0.00 C ATOM 691 OE1 GLU A 48 14.434 6.270 -6.813 1.00 0.00 O ATOM 692 OE2 GLU A 48 13.633 7.608 -8.298 1.00 0.00 O ATOM 0 H GLU A 48 9.383 4.657 -6.137 1.00 0.00 H new ATOM 0 HA GLU A 48 11.695 3.301 -7.444 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.155 5.883 -6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.726 5.166 -5.727 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.641 4.823 -8.424 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.571 6.207 -8.310 1.00 0.00 H new ATOM 699 N ASP A 49 11.032 3.340 -4.203 1.00 0.00 N ATOM 700 CA ASP A 49 11.301 2.588 -2.946 1.00 0.00 C ATOM 701 C ASP A 49 10.223 1.525 -2.753 1.00 0.00 C ATOM 702 O ASP A 49 9.812 1.235 -1.646 1.00 0.00 O ATOM 703 CB ASP A 49 11.275 3.558 -1.762 1.00 0.00 C ATOM 704 CG ASP A 49 12.652 3.591 -1.099 1.00 0.00 C ATOM 705 OD1 ASP A 49 13.616 3.872 -1.790 1.00 0.00 O ATOM 706 OD2 ASP A 49 12.715 3.337 0.095 1.00 0.00 O ATOM 0 H ASP A 49 10.388 4.126 -4.110 1.00 0.00 H new ATOM 0 HA ASP A 49 12.279 2.110 -3.006 1.00 0.00 H new ATOM 0 HB2 ASP A 49 10.999 4.556 -2.102 1.00 0.00 H new ATOM 0 HB3 ASP A 49 10.520 3.247 -1.040 1.00 0.00 H new ATOM 711 N ASN A 50 9.762 0.933 -3.823 1.00 0.00 N ATOM 712 CA ASN A 50 8.710 -0.113 -3.700 1.00 0.00 C ATOM 713 C ASN A 50 9.051 -1.051 -2.542 1.00 0.00 C ATOM 714 O ASN A 50 9.800 -1.992 -2.689 1.00 0.00 O ATOM 715 CB ASN A 50 8.643 -0.919 -5.000 1.00 0.00 C ATOM 716 CG ASN A 50 10.052 -1.097 -5.570 1.00 0.00 C ATOM 717 OD1 ASN A 50 10.506 -0.293 -6.361 1.00 0.00 O ATOM 718 ND2 ASN A 50 10.766 -2.120 -5.198 1.00 0.00 N ATOM 0 H ASN A 50 10.070 1.130 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 50 7.747 0.362 -3.511 1.00 0.00 H new ATOM 0 HB2 ASN A 50 8.190 -1.893 -4.812 1.00 0.00 H new ATOM 0 HB3 ASN A 50 8.009 -0.407 -5.724 1.00 0.00 H new ATOM 0 HD21 ASN A 50 11.707 -2.247 -5.570 1.00 0.00 H new ATOM 0 HD22 ASN A 50 10.384 -2.794 -4.534 1.00 0.00 H new ATOM 725 N THR A 51 8.504 -0.796 -1.381 1.00 0.00 N ATOM 726 CA THR A 51 8.795 -1.671 -0.213 1.00 0.00 C ATOM 727 C THR A 51 7.544 -2.474 0.149 1.00 0.00 C ATOM 728 O THR A 51 6.442 -1.967 0.122 1.00 0.00 O ATOM 729 CB THR A 51 9.211 -0.809 0.980 1.00 0.00 C ATOM 730 OG1 THR A 51 8.858 0.547 0.727 1.00 0.00 O ATOM 731 CG2 THR A 51 10.723 -0.913 1.190 1.00 0.00 C ATOM 0 H THR A 51 7.869 -0.020 -1.194 1.00 0.00 H new ATOM 0 HA THR A 51 9.605 -2.356 -0.466 1.00 0.00 H new ATOM 0 HB THR A 51 8.699 -1.159 1.876 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.427 0.906 0.014 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.015 -0.297 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.993 -1.951 1.383 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.239 -0.564 0.296 1.00 0.00 H new ATOM 739 N TRP A 52 7.707 -3.725 0.489 1.00 0.00 N ATOM 740 CA TRP A 52 6.532 -4.558 0.848 1.00 0.00 C ATOM 741 C TRP A 52 6.421 -4.644 2.372 1.00 0.00 C ATOM 742 O TRP A 52 6.972 -5.531 2.997 1.00 0.00 O ATOM 743 CB TRP A 52 6.702 -5.964 0.271 1.00 0.00 C ATOM 744 CG TRP A 52 6.625 -5.906 -1.216 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.691 -5.829 -2.049 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.443 -5.911 -2.069 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.236 -5.791 -3.350 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.866 -5.837 -3.416 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.059 -5.973 -1.809 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.963 -5.827 -4.467 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.136 -5.964 -2.874 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.590 -5.891 -4.202 1.00 0.00 C ATOM 0 H TRP A 52 8.607 -4.203 0.532 1.00 0.00 H new ATOM 0 HA TRP A 52 5.628 -4.107 0.438 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.660 -6.381 0.580 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.927 -6.624 0.660 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.727 -5.802 -1.744 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.845 -5.735 -4.166 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.705 -6.028 -0.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.317 -5.770 -5.486 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.077 -6.013 -2.669 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.881 -5.884 -5.017 1.00 0.00 H new ATOM 763 N GLU A 53 5.714 -3.729 2.978 1.00 0.00 N ATOM 764 CA GLU A 53 5.572 -3.759 4.461 1.00 0.00 C ATOM 765 C GLU A 53 4.282 -4.495 4.834 1.00 0.00 C ATOM 766 O GLU A 53 3.306 -4.442 4.111 1.00 0.00 O ATOM 767 CB GLU A 53 5.516 -2.330 4.998 1.00 0.00 C ATOM 768 CG GLU A 53 6.666 -1.516 4.403 1.00 0.00 C ATOM 769 CD GLU A 53 7.321 -0.676 5.502 1.00 0.00 C ATOM 770 OE1 GLU A 53 6.706 -0.525 6.549 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.420 -0.199 5.283 1.00 0.00 O ATOM 0 H GLU A 53 5.229 -2.963 2.510 1.00 0.00 H new ATOM 0 HA GLU A 53 6.426 -4.277 4.897 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.561 -1.871 4.742 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.585 -2.336 6.086 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.402 -2.182 3.953 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.294 -0.869 3.609 1.00 0.00 H new ATOM 778 N PRO A 54 4.317 -5.166 5.960 1.00 0.00 N ATOM 779 CA PRO A 54 3.165 -5.928 6.469 1.00 0.00 C ATOM 780 C PRO A 54 2.142 -4.986 7.111 1.00 0.00 C ATOM 781 O PRO A 54 2.491 -4.086 7.853 1.00 0.00 O ATOM 782 CB PRO A 54 3.783 -6.858 7.513 1.00 0.00 C ATOM 783 CG PRO A 54 5.113 -6.202 7.950 1.00 0.00 C ATOM 784 CD PRO A 54 5.511 -5.223 6.830 1.00 0.00 C ATOM 0 HA PRO A 54 2.630 -6.469 5.689 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.114 -6.985 8.364 1.00 0.00 H new ATOM 0 HB3 PRO A 54 3.958 -7.849 7.095 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.993 -5.678 8.898 1.00 0.00 H new ATOM 0 HG3 PRO A 54 5.886 -6.956 8.098 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.760 -4.240 7.230 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.386 -5.576 6.284 1.00 0.00 H new ATOM 792 N GLU A 55 0.882 -5.182 6.835 1.00 0.00 N ATOM 793 CA GLU A 55 -0.160 -4.304 7.434 1.00 0.00 C ATOM 794 C GLU A 55 -0.246 -4.564 8.941 1.00 0.00 C ATOM 795 O GLU A 55 -0.675 -3.721 9.701 1.00 0.00 O ATOM 796 CB GLU A 55 -1.514 -4.604 6.786 1.00 0.00 C ATOM 797 CG GLU A 55 -1.795 -6.103 6.862 1.00 0.00 C ATOM 798 CD GLU A 55 -3.130 -6.339 7.575 1.00 0.00 C ATOM 799 OE1 GLU A 55 -4.102 -5.719 7.181 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.153 -7.137 8.497 1.00 0.00 O ATOM 0 H GLU A 55 0.529 -5.914 6.219 1.00 0.00 H new ATOM 0 HA GLU A 55 0.103 -3.260 7.261 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -2.303 -4.049 7.294 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.512 -4.276 5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.826 -6.529 5.859 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.991 -6.608 7.398 1.00 0.00 H new ATOM 807 N GLU A 56 0.162 -5.726 9.373 1.00 0.00 N ATOM 808 CA GLU A 56 0.103 -6.042 10.829 1.00 0.00 C ATOM 809 C GLU A 56 1.206 -5.277 11.565 1.00 0.00 C ATOM 810 O GLU A 56 1.311 -5.330 12.775 1.00 0.00 O ATOM 811 CB GLU A 56 0.297 -7.544 11.034 1.00 0.00 C ATOM 812 CG GLU A 56 -1.050 -8.258 10.904 1.00 0.00 C ATOM 813 CD GLU A 56 -1.173 -9.317 12.005 1.00 0.00 C ATOM 814 OE1 GLU A 56 -0.683 -9.069 13.093 1.00 0.00 O ATOM 815 OE2 GLU A 56 -1.757 -10.354 11.736 1.00 0.00 O ATOM 0 H GLU A 56 0.533 -6.470 8.782 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.868 -5.745 11.225 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.999 -7.934 10.297 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.728 -7.734 12.017 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.865 -7.538 10.984 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.133 -8.726 9.923 1.00 0.00 H new ATOM 822 N ASN A 57 2.037 -4.569 10.845 1.00 0.00 N ATOM 823 CA ASN A 57 3.131 -3.805 11.510 1.00 0.00 C ATOM 824 C ASN A 57 3.305 -2.456 10.809 1.00 0.00 C ATOM 825 O ASN A 57 4.257 -1.739 11.049 1.00 0.00 O ATOM 826 CB ASN A 57 4.435 -4.603 11.417 1.00 0.00 C ATOM 827 CG ASN A 57 4.742 -5.231 12.777 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.220 -4.567 13.676 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.490 -6.497 12.968 1.00 0.00 N ATOM 0 H ASN A 57 2.005 -4.488 9.829 1.00 0.00 H new ATOM 0 HA ASN A 57 2.880 -3.640 12.558 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.346 -5.379 10.657 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.253 -3.950 11.112 1.00 0.00 H new ATOM 0 HD21 ASN A 57 4.694 -6.927 13.870 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.089 -7.056 12.215 1.00 0.00 H new ATOM 836 N LEU A 58 2.397 -2.106 9.944 1.00 0.00 N ATOM 837 CA LEU A 58 2.508 -0.803 9.227 1.00 0.00 C ATOM 838 C LEU A 58 1.795 0.284 10.028 1.00 0.00 C ATOM 839 O LEU A 58 1.297 0.047 11.113 1.00 0.00 O ATOM 840 CB LEU A 58 1.860 -0.925 7.846 1.00 0.00 C ATOM 841 CG LEU A 58 2.949 -0.992 6.773 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.306 -1.250 5.410 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.702 0.341 6.732 1.00 0.00 C ATOM 0 H LEU A 58 1.580 -2.666 9.701 1.00 0.00 H new ATOM 0 HA LEU A 58 3.560 -0.540 9.115 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.237 -1.819 7.803 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.207 -0.072 7.663 1.00 0.00 H new ATOM 0 HG LEU A 58 3.643 -1.799 7.008 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.081 -1.298 4.645 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.764 -2.195 5.437 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.614 -0.441 5.175 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.479 0.297 5.969 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.005 1.145 6.495 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.158 0.531 7.703 1.00 0.00 H new ATOM 855 N ASP A 59 1.745 1.479 9.507 1.00 0.00 N ATOM 856 CA ASP A 59 1.066 2.582 10.242 1.00 0.00 C ATOM 857 C ASP A 59 0.283 3.450 9.253 1.00 0.00 C ATOM 858 O ASP A 59 0.002 4.601 9.512 1.00 0.00 O ATOM 859 CB ASP A 59 2.109 3.443 10.959 1.00 0.00 C ATOM 860 CG ASP A 59 3.250 2.549 11.457 1.00 0.00 C ATOM 861 OD1 ASP A 59 4.156 2.294 10.681 1.00 0.00 O ATOM 862 OD2 ASP A 59 3.197 2.141 12.604 1.00 0.00 O ATOM 0 H ASP A 59 2.145 1.739 8.605 1.00 0.00 H new ATOM 0 HA ASP A 59 0.381 2.157 10.976 1.00 0.00 H new ATOM 0 HB2 ASP A 59 2.497 4.204 10.281 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.650 3.967 11.797 1.00 0.00 H new ATOM 867 N CYS A 60 -0.060 2.907 8.118 1.00 0.00 N ATOM 868 CA CYS A 60 -0.821 3.699 7.111 1.00 0.00 C ATOM 869 C CYS A 60 -2.088 2.942 6.716 1.00 0.00 C ATOM 870 O CYS A 60 -2.181 2.421 5.626 1.00 0.00 O ATOM 871 CB CYS A 60 0.051 3.918 5.872 1.00 0.00 C ATOM 872 SG CYS A 60 1.722 4.378 6.381 1.00 0.00 S ATOM 0 H CYS A 60 0.154 1.948 7.844 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.095 4.663 7.539 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.080 3.010 5.270 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.378 4.701 5.247 1.00 0.00 H new ATOM 0 HG CYS A 60 2.461 4.562 5.328 1.00 0.00 H new ATOM 878 N PRO A 61 -3.032 2.911 7.624 1.00 0.00 N ATOM 879 CA PRO A 61 -4.317 2.222 7.407 1.00 0.00 C ATOM 880 C PRO A 61 -5.237 3.079 6.535 1.00 0.00 C ATOM 881 O PRO A 61 -6.316 2.664 6.157 1.00 0.00 O ATOM 882 CB PRO A 61 -4.885 2.069 8.819 1.00 0.00 C ATOM 883 CG PRO A 61 -4.200 3.155 9.682 1.00 0.00 C ATOM 884 CD PRO A 61 -2.907 3.550 8.947 1.00 0.00 C ATOM 0 HA PRO A 61 -4.213 1.267 6.892 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.967 2.198 8.819 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.683 1.073 9.214 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -4.853 4.018 9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.978 2.775 10.679 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -2.814 4.632 8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.023 3.196 9.478 1.00 0.00 H new ATOM 892 N ASP A 62 -4.821 4.270 6.206 1.00 0.00 N ATOM 893 CA ASP A 62 -5.670 5.148 5.358 1.00 0.00 C ATOM 894 C ASP A 62 -5.415 4.826 3.886 1.00 0.00 C ATOM 895 O ASP A 62 -6.328 4.777 3.084 1.00 0.00 O ATOM 896 CB ASP A 62 -5.314 6.611 5.624 1.00 0.00 C ATOM 897 CG ASP A 62 -6.182 7.149 6.762 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.456 6.391 7.682 1.00 0.00 O ATOM 899 OD2 ASP A 62 -6.564 8.308 6.697 1.00 0.00 O ATOM 0 H ASP A 62 -3.928 4.673 6.489 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.721 4.980 5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -4.259 6.698 5.885 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -5.469 7.204 4.723 1.00 0.00 H new ATOM 904 N LEU A 63 -4.183 4.590 3.526 1.00 0.00 N ATOM 905 CA LEU A 63 -3.877 4.260 2.113 1.00 0.00 C ATOM 906 C LEU A 63 -4.164 2.783 1.872 1.00 0.00 C ATOM 907 O LEU A 63 -4.427 2.363 0.760 1.00 0.00 O ATOM 908 CB LEU A 63 -2.403 4.559 1.822 1.00 0.00 C ATOM 909 CG LEU A 63 -2.027 5.906 2.431 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.588 6.254 2.048 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.969 6.986 1.903 1.00 0.00 C ATOM 0 H LEU A 63 -3.378 4.612 4.152 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.498 4.864 1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.773 3.772 2.236 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.229 4.573 0.746 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.112 5.850 3.516 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.318 7.216 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.085 5.484 2.425 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.504 6.310 0.963 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.700 7.948 2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.885 7.043 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.995 6.739 2.175 1.00 0.00 H new ATOM 923 N ILE A 64 -4.116 1.987 2.904 1.00 0.00 N ATOM 924 CA ILE A 64 -4.395 0.534 2.734 1.00 0.00 C ATOM 925 C ILE A 64 -5.872 0.347 2.394 1.00 0.00 C ATOM 926 O ILE A 64 -6.224 -0.340 1.457 1.00 0.00 O ATOM 927 CB ILE A 64 -4.073 -0.205 4.032 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.554 -0.253 4.232 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.618 -1.630 3.957 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.240 -0.680 5.669 1.00 0.00 C ATOM 0 H ILE A 64 -3.896 2.279 3.856 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.778 0.133 1.930 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.534 0.319 4.869 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.106 -0.953 3.527 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.119 0.726 4.029 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.388 -2.157 4.883 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.698 -1.599 3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.157 -2.152 3.119 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.160 -0.714 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.675 0.037 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.662 -1.668 5.855 1.00 0.00 H new ATOM 942 N ALA A 65 -6.745 0.967 3.150 1.00 0.00 N ATOM 943 CA ALA A 65 -8.201 0.832 2.870 1.00 0.00 C ATOM 944 C ALA A 65 -8.600 1.817 1.770 1.00 0.00 C ATOM 945 O ALA A 65 -9.716 1.808 1.292 1.00 0.00 O ATOM 946 CB ALA A 65 -8.997 1.137 4.142 1.00 0.00 C ATOM 0 H ALA A 65 -6.509 1.559 3.947 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.416 -0.186 2.544 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.063 1.038 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.712 0.436 4.926 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.784 2.154 4.470 1.00 0.00 H new ATOM 952 N GLU A 66 -7.692 2.664 1.362 1.00 0.00 N ATOM 953 CA GLU A 66 -8.026 3.648 0.292 1.00 0.00 C ATOM 954 C GLU A 66 -7.591 3.087 -1.063 1.00 0.00 C ATOM 955 O GLU A 66 -8.117 3.452 -2.095 1.00 0.00 O ATOM 956 CB GLU A 66 -7.287 4.961 0.559 1.00 0.00 C ATOM 957 CG GLU A 66 -7.625 5.968 -0.544 1.00 0.00 C ATOM 958 CD GLU A 66 -6.596 5.850 -1.672 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.476 5.450 -1.389 1.00 0.00 O ATOM 960 OE2 GLU A 66 -6.940 6.162 -2.799 1.00 0.00 O ATOM 0 H GLU A 66 -6.739 2.717 1.721 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.101 3.831 0.285 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.573 5.361 1.532 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.212 4.786 0.590 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.627 5.779 -0.929 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.624 6.980 -0.140 1.00 0.00 H new ATOM 967 N PHE A 67 -6.637 2.197 -1.064 1.00 0.00 N ATOM 968 CA PHE A 67 -6.166 1.609 -2.349 1.00 0.00 C ATOM 969 C PHE A 67 -6.716 0.189 -2.492 1.00 0.00 C ATOM 970 O PHE A 67 -6.831 -0.337 -3.580 1.00 0.00 O ATOM 971 CB PHE A 67 -4.635 1.569 -2.365 1.00 0.00 C ATOM 972 CG PHE A 67 -4.166 0.808 -3.580 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.138 -0.590 -3.564 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.752 1.505 -4.722 1.00 0.00 C ATOM 975 CE1 PHE A 67 -3.701 -1.298 -4.690 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.313 0.798 -5.852 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.289 -0.604 -5.834 1.00 0.00 C ATOM 0 H PHE A 67 -6.163 1.851 -0.229 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.520 2.221 -3.179 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.234 2.582 -2.380 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.263 1.092 -1.458 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.454 -1.125 -2.681 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.771 2.585 -4.733 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -3.682 -2.378 -4.676 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.994 1.333 -6.734 1.00 0.00 H new ATOM 0 HZ PHE A 67 -2.952 -1.149 -6.704 1.00 0.00 H new ATOM 987 N LEU A 68 -7.055 -0.439 -1.396 1.00 0.00 N ATOM 988 CA LEU A 68 -7.591 -1.825 -1.473 1.00 0.00 C ATOM 989 C LEU A 68 -9.082 -1.773 -1.834 1.00 0.00 C ATOM 990 O LEU A 68 -9.640 -2.721 -2.356 1.00 0.00 O ATOM 991 CB LEU A 68 -7.390 -2.530 -0.123 1.00 0.00 C ATOM 992 CG LEU A 68 -8.550 -2.225 0.835 1.00 0.00 C ATOM 993 CD1 LEU A 68 -9.734 -3.137 0.517 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.097 -2.467 2.276 1.00 0.00 C ATOM 0 H LEU A 68 -6.983 -0.051 -0.455 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.060 -2.385 -2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.315 -3.606 -0.278 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.450 -2.206 0.324 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.852 -1.185 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.556 -2.918 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.059 -2.967 -0.509 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.433 -4.178 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.920 -2.251 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.794 -3.507 2.392 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.254 -1.815 2.507 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.729 -0.675 -1.560 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.180 -0.565 -1.888 1.00 0.00 C ATOM 1008 C GLN A 69 -11.344 -0.174 -3.359 1.00 0.00 C ATOM 1009 O GLN A 69 -12.222 -0.663 -4.041 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.824 0.504 -1.004 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.302 0.169 -0.793 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.850 0.981 0.384 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -14.450 2.017 0.193 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.663 0.549 1.599 1.00 0.00 N ATOM 0 H GLN A 69 -9.318 0.150 -1.124 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.665 -1.525 -1.710 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.311 0.554 -0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.725 1.484 -1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.869 0.392 -1.697 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.419 -0.897 -0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.158 -0.323 1.758 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -14.022 1.083 2.391 1.00 0.00 H new ATOM 1023 N SER A 70 -10.507 0.697 -3.849 1.00 0.00 N ATOM 1024 CA SER A 70 -10.623 1.107 -5.276 1.00 0.00 C ATOM 1025 C SER A 70 -10.699 -0.141 -6.160 1.00 0.00 C ATOM 1026 O SER A 70 -11.178 -0.096 -7.269 1.00 0.00 O ATOM 1027 CB SER A 70 -9.404 1.939 -5.678 1.00 0.00 C ATOM 1028 OG SER A 70 -9.094 2.850 -4.634 1.00 0.00 O ATOM 0 H SER A 70 -9.752 1.141 -3.327 1.00 0.00 H new ATOM 0 HA SER A 70 -11.525 1.705 -5.405 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.552 1.287 -5.873 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.608 2.481 -6.601 1.00 0.00 H new ATOM 0 HG SER A 70 -8.312 3.384 -4.887 1.00 0.00 H new ATOM 1034 N GLN A 71 -10.229 -1.255 -5.668 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.285 -2.498 -6.479 1.00 0.00 C ATOM 1036 C GLN A 71 -11.739 -2.781 -6.857 1.00 0.00 C ATOM 1037 O GLN A 71 -12.076 -2.913 -8.017 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.726 -3.670 -5.665 1.00 0.00 C ATOM 1039 CG GLN A 71 -8.222 -3.791 -5.911 1.00 0.00 C ATOM 1040 CD GLN A 71 -7.973 -4.663 -7.137 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -7.958 -5.874 -7.043 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -7.769 -4.093 -8.295 1.00 0.00 N ATOM 0 H GLN A 71 -9.811 -1.355 -4.743 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.688 -2.375 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.920 -3.515 -4.604 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.227 -4.595 -5.949 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.787 -2.803 -6.061 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -7.734 -4.225 -5.038 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.782 -3.076 -8.372 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.597 -4.665 -9.122 1.00 0.00 H new