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= -0.17 USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= 0.342 (180deg=-0.248!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.395 USER MOD Single : A 50 ASN : amide:sc= -3.24 K(o=-3.2,f=-8.7!) USER MOD Single : A 51 THR OG1 : rot 180:sc= -0.148 USER MOD Single : A 57 ASN : amide:sc= -2.57! C(o=-2.6!,f=-3.6!) USER MOD Single : A 60 CYS SG : rot 180:sc= -1.18 USER MOD Single : A 69 GLN : amide:sc= -0.379 K(o=-0.38,f=-2.6!) USER MOD Single : A 70 SER OG : rot 37:sc= 0.0841 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 9.024 9.959 3.735 1.00 0.00 N ATOM 230 CA VAL A 22 7.542 10.110 3.721 1.00 0.00 C ATOM 231 C VAL A 22 6.941 9.169 2.675 1.00 0.00 C ATOM 232 O VAL A 22 7.621 8.703 1.783 1.00 0.00 O ATOM 233 CB VAL A 22 7.179 11.555 3.375 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.756 11.852 3.848 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.155 12.507 4.071 1.00 0.00 C ATOM 0 HA VAL A 22 7.144 9.861 4.705 1.00 0.00 H new ATOM 0 HB VAL A 22 7.240 11.695 2.296 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.498 12.882 3.601 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.059 11.175 3.354 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.694 11.711 4.927 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.897 13.537 3.825 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.094 12.366 5.150 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.170 12.297 3.734 1.00 0.00 H new ATOM 245 N VAL A 23 5.671 8.889 2.777 1.00 0.00 N ATOM 246 CA VAL A 23 5.027 7.980 1.787 1.00 0.00 C ATOM 247 C VAL A 23 4.195 8.809 0.809 1.00 0.00 C ATOM 248 O VAL A 23 3.513 9.738 1.192 1.00 0.00 O ATOM 249 CB VAL A 23 4.117 6.992 2.519 1.00 0.00 C ATOM 250 CG1 VAL A 23 2.974 7.753 3.194 1.00 0.00 C ATOM 251 CG2 VAL A 23 3.540 5.992 1.514 1.00 0.00 C ATOM 0 H VAL A 23 5.052 9.250 3.503 1.00 0.00 H new ATOM 0 HA VAL A 23 5.794 7.431 1.241 1.00 0.00 H new ATOM 0 HB VAL A 23 4.693 6.458 3.275 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.326 7.049 3.715 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.384 8.466 3.909 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.397 8.287 2.439 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.891 5.287 2.034 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.964 6.527 0.759 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.354 5.449 1.033 1.00 0.00 H new ATOM 261 N GLU A 24 4.245 8.482 -0.453 1.00 0.00 N ATOM 262 CA GLU A 24 3.456 9.256 -1.450 1.00 0.00 C ATOM 263 C GLU A 24 2.107 8.570 -1.675 1.00 0.00 C ATOM 264 O GLU A 24 1.106 9.215 -1.917 1.00 0.00 O ATOM 265 CB GLU A 24 4.223 9.319 -2.772 1.00 0.00 C ATOM 266 CG GLU A 24 3.999 10.682 -3.428 1.00 0.00 C ATOM 267 CD GLU A 24 5.347 11.366 -3.660 1.00 0.00 C ATOM 268 OE1 GLU A 24 5.793 12.070 -2.768 1.00 0.00 O ATOM 269 OE2 GLU A 24 5.912 11.174 -4.724 1.00 0.00 O ATOM 0 H GLU A 24 4.797 7.714 -0.835 1.00 0.00 H new ATOM 0 HA GLU A 24 3.293 10.267 -1.078 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.287 9.159 -2.595 1.00 0.00 H new ATOM 0 HB3 GLU A 24 3.887 8.524 -3.438 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.474 10.559 -4.375 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.369 11.304 -2.792 1.00 0.00 H new ATOM 276 N LYS A 25 2.072 7.268 -1.597 1.00 0.00 N ATOM 277 CA LYS A 25 0.786 6.545 -1.807 1.00 0.00 C ATOM 278 C LYS A 25 1.058 5.047 -1.950 1.00 0.00 C ATOM 279 O LYS A 25 2.189 4.604 -1.904 1.00 0.00 O ATOM 280 CB LYS A 25 0.113 7.063 -3.080 1.00 0.00 C ATOM 281 CG LYS A 25 1.174 7.311 -4.154 1.00 0.00 C ATOM 282 CD LYS A 25 0.520 7.279 -5.536 1.00 0.00 C ATOM 283 CE LYS A 25 1.508 7.801 -6.581 1.00 0.00 C ATOM 284 NZ LYS A 25 1.585 6.837 -7.715 1.00 0.00 N ATOM 0 H LYS A 25 2.877 6.674 -1.397 1.00 0.00 H new ATOM 0 HA LYS A 25 0.131 6.715 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -0.619 6.339 -3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -0.428 7.985 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 25 1.654 8.276 -3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.954 6.552 -4.092 1.00 0.00 H new ATOM 0 HD2 LYS A 25 0.217 6.262 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.383 7.890 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 25 1.190 8.779 -6.942 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.493 7.932 -6.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 2.256 7.191 -8.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.908 5.913 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.645 6.734 -8.148 1.00 0.00 H new ATOM 298 N VAL A 26 0.031 4.262 -2.124 1.00 0.00 N ATOM 299 CA VAL A 26 0.232 2.793 -2.272 1.00 0.00 C ATOM 300 C VAL A 26 0.282 2.437 -3.758 1.00 0.00 C ATOM 301 O VAL A 26 -0.593 2.794 -4.521 1.00 0.00 O ATOM 302 CB VAL A 26 -0.925 2.038 -1.610 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.411 0.713 -1.042 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.509 2.879 -0.474 1.00 0.00 C ATOM 0 H VAL A 26 -0.939 4.574 -2.170 1.00 0.00 H new ATOM 0 HA VAL A 26 1.168 2.509 -1.791 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.698 1.845 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.234 0.175 -0.571 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.003 0.108 -1.848 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.364 0.911 -0.302 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.332 2.338 -0.006 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.735 3.075 0.268 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.877 3.824 -0.873 1.00 0.00 H new ATOM 314 N LEU A 27 1.300 1.736 -4.176 1.00 0.00 N ATOM 315 CA LEU A 27 1.403 1.360 -5.612 1.00 0.00 C ATOM 316 C LEU A 27 0.743 -0.003 -5.828 1.00 0.00 C ATOM 317 O LEU A 27 0.240 -0.295 -6.895 1.00 0.00 O ATOM 318 CB LEU A 27 2.877 1.284 -6.015 1.00 0.00 C ATOM 319 CG LEU A 27 3.569 2.602 -5.668 1.00 0.00 C ATOM 320 CD1 LEU A 27 4.294 2.461 -4.330 1.00 0.00 C ATOM 321 CD2 LEU A 27 4.582 2.950 -6.760 1.00 0.00 C ATOM 0 H LEU A 27 2.064 1.408 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 27 0.899 2.109 -6.222 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.364 0.458 -5.497 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.963 1.086 -7.083 1.00 0.00 H new ATOM 0 HG LEU A 27 2.824 3.394 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.787 3.401 -4.083 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.574 2.213 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.039 1.668 -4.401 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.075 3.890 -6.512 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.327 2.157 -6.832 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.067 3.051 -7.715 1.00 0.00 H new ATOM 333 N ASP A 28 0.735 -0.839 -4.825 1.00 0.00 N ATOM 334 CA ASP A 28 0.102 -2.178 -4.983 1.00 0.00 C ATOM 335 C ASP A 28 0.274 -2.987 -3.696 1.00 0.00 C ATOM 336 O ASP A 28 0.569 -2.450 -2.648 1.00 0.00 O ATOM 337 CB ASP A 28 0.764 -2.921 -6.144 1.00 0.00 C ATOM 338 CG ASP A 28 -0.297 -3.314 -7.173 1.00 0.00 C ATOM 339 OD1 ASP A 28 -1.364 -2.723 -7.150 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.026 -4.201 -7.966 1.00 0.00 O ATOM 0 H ASP A 28 1.138 -0.653 -3.907 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.961 -2.051 -5.189 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.520 -2.289 -6.610 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.275 -3.811 -5.776 1.00 0.00 H new ATOM 345 N ARG A 29 0.089 -4.278 -3.771 1.00 0.00 N ATOM 346 CA ARG A 29 0.241 -5.127 -2.556 1.00 0.00 C ATOM 347 C ARG A 29 0.021 -6.594 -2.934 1.00 0.00 C ATOM 348 O ARG A 29 -0.497 -6.901 -3.989 1.00 0.00 O ATOM 349 CB ARG A 29 -0.792 -4.709 -1.507 1.00 0.00 C ATOM 350 CG ARG A 29 -2.202 -4.954 -2.049 1.00 0.00 C ATOM 351 CD ARG A 29 -2.701 -6.321 -1.577 1.00 0.00 C ATOM 352 NE ARG A 29 -3.865 -6.137 -0.666 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.946 -6.850 -0.836 1.00 0.00 C ATOM 354 NH1 ARG A 29 -5.813 -6.514 -1.751 1.00 0.00 N ATOM 355 NH2 ARG A 29 -5.160 -7.898 -0.087 1.00 0.00 N ATOM 0 H ARG A 29 -0.161 -4.781 -4.622 1.00 0.00 H new ATOM 0 HA ARG A 29 1.243 -5.001 -2.146 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.641 -5.275 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -0.666 -3.656 -1.257 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.877 -4.170 -1.704 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.196 -4.914 -3.138 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.989 -6.931 -2.434 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.902 -6.853 -1.061 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.818 -5.454 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.647 -5.694 -2.334 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.657 -7.071 -1.883 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.483 -8.159 0.630 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.004 -8.455 -0.219 1.00 0.00 H new ATOM 369 N ARG A 30 0.410 -7.502 -2.082 1.00 0.00 N ATOM 370 CA ARG A 30 0.223 -8.947 -2.398 1.00 0.00 C ATOM 371 C ARG A 30 0.054 -9.739 -1.100 1.00 0.00 C ATOM 372 O ARG A 30 -0.378 -9.214 -0.093 1.00 0.00 O ATOM 373 CB ARG A 30 1.447 -9.466 -3.156 1.00 0.00 C ATOM 374 CG ARG A 30 2.663 -9.457 -2.229 1.00 0.00 C ATOM 375 CD ARG A 30 3.937 -9.633 -3.056 1.00 0.00 C ATOM 376 NE ARG A 30 5.100 -9.819 -2.143 1.00 0.00 N ATOM 377 CZ ARG A 30 6.154 -10.472 -2.552 1.00 0.00 C ATOM 378 NH1 ARG A 30 6.064 -11.744 -2.832 1.00 0.00 N ATOM 379 NH2 ARG A 30 7.295 -9.854 -2.681 1.00 0.00 N ATOM 0 H ARG A 30 0.849 -7.307 -1.182 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.667 -9.070 -3.015 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.261 -10.477 -3.520 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.638 -8.843 -4.030 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.704 -8.520 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.580 -10.258 -1.495 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.838 -10.494 -3.717 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.095 -8.761 -3.690 1.00 0.00 H new ATOM 0 HE ARG A 30 5.073 -9.436 -1.198 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.171 -12.226 -2.731 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.887 -12.255 -3.152 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.364 -8.860 -2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.118 -10.364 -3.001 1.00 0.00 H new ATOM 393 N VAL A 31 0.392 -10.999 -1.116 1.00 0.00 N ATOM 394 CA VAL A 31 0.251 -11.825 0.116 1.00 0.00 C ATOM 395 C VAL A 31 1.230 -12.999 0.057 1.00 0.00 C ATOM 396 O VAL A 31 1.352 -13.668 -0.950 1.00 0.00 O ATOM 397 CB VAL A 31 -1.179 -12.363 0.208 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.289 -13.323 1.393 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.150 -11.196 0.406 1.00 0.00 C ATOM 0 H VAL A 31 0.760 -11.492 -1.929 1.00 0.00 H new ATOM 0 HA VAL A 31 0.468 -11.212 0.991 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.428 -12.892 -0.712 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.308 -13.706 1.458 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.597 -14.154 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -1.041 -12.795 2.313 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.169 -11.578 0.472 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.901 -10.667 1.326 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.073 -10.511 -0.438 1.00 0.00 H new ATOM 409 N VAL A 32 1.929 -13.257 1.129 1.00 0.00 N ATOM 410 CA VAL A 32 2.897 -14.389 1.132 1.00 0.00 C ATOM 411 C VAL A 32 2.213 -15.641 1.686 1.00 0.00 C ATOM 412 O VAL A 32 2.835 -16.473 2.316 1.00 0.00 O ATOM 413 CB VAL A 32 4.097 -14.033 2.011 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.318 -14.836 1.558 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.395 -12.537 1.886 1.00 0.00 C ATOM 0 H VAL A 32 1.871 -12.733 2.002 1.00 0.00 H new ATOM 0 HA VAL A 32 3.237 -14.579 0.114 1.00 0.00 H new ATOM 0 HB VAL A 32 3.870 -14.273 3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.173 -14.582 2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.106 -15.902 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.546 -14.597 0.519 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.250 -12.283 2.512 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.622 -12.297 0.847 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.526 -11.965 2.209 1.00 0.00 H new ATOM 425 N LYS A 33 0.936 -15.780 1.455 1.00 0.00 N ATOM 426 CA LYS A 33 0.213 -16.977 1.970 1.00 0.00 C ATOM 427 C LYS A 33 0.214 -16.953 3.499 1.00 0.00 C ATOM 428 O LYS A 33 0.462 -17.951 4.146 1.00 0.00 O ATOM 429 CB LYS A 33 0.914 -18.246 1.478 1.00 0.00 C ATOM 430 CG LYS A 33 0.040 -18.939 0.430 1.00 0.00 C ATOM 431 CD LYS A 33 0.921 -19.785 -0.491 1.00 0.00 C ATOM 432 CE LYS A 33 1.469 -20.983 0.285 1.00 0.00 C ATOM 433 NZ LYS A 33 0.674 -22.197 -0.050 1.00 0.00 N ATOM 0 H LYS A 33 0.363 -15.117 0.933 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.815 -16.966 1.607 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.884 -17.995 1.049 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.100 -18.919 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -0.703 -19.569 0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.506 -18.197 -0.152 1.00 0.00 H new ATOM 0 HD2 LYS A 33 0.344 -20.128 -1.350 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.743 -19.183 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 33 2.518 -21.142 0.036 1.00 0.00 H new ATOM 0 HE3 LYS A 33 1.422 -20.788 1.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 1.046 -23.012 0.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -0.321 -22.042 0.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 0.741 -22.385 -1.071 1.00 0.00 H new ATOM 447 N GLY A 34 -0.061 -15.818 4.083 1.00 0.00 N ATOM 448 CA GLY A 34 -0.076 -15.729 5.570 1.00 0.00 C ATOM 449 C GLY A 34 0.553 -14.405 6.008 1.00 0.00 C ATOM 450 O GLY A 34 0.488 -14.028 7.161 1.00 0.00 O ATOM 0 H GLY A 34 -0.276 -14.949 3.594 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.099 -15.797 5.939 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.474 -16.565 6.001 1.00 0.00 H new ATOM 454 N LYS A 35 1.162 -13.696 5.097 1.00 0.00 N ATOM 455 CA LYS A 35 1.794 -12.397 5.463 1.00 0.00 C ATOM 456 C LYS A 35 1.443 -11.345 4.409 1.00 0.00 C ATOM 457 O LYS A 35 2.197 -11.101 3.487 1.00 0.00 O ATOM 458 CB LYS A 35 3.312 -12.569 5.527 1.00 0.00 C ATOM 459 CG LYS A 35 3.659 -13.695 6.503 1.00 0.00 C ATOM 460 CD LYS A 35 4.384 -13.113 7.718 1.00 0.00 C ATOM 461 CE LYS A 35 4.091 -13.973 8.948 1.00 0.00 C ATOM 462 NZ LYS A 35 3.614 -13.104 10.060 1.00 0.00 N ATOM 0 H LYS A 35 1.249 -13.960 4.116 1.00 0.00 H new ATOM 0 HA LYS A 35 1.424 -12.074 6.436 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.704 -12.799 4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 35 3.781 -11.639 5.848 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.751 -14.209 6.820 1.00 0.00 H new ATOM 0 HG3 LYS A 35 4.289 -14.436 6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.458 -13.079 7.532 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.058 -12.088 7.892 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.337 -14.723 8.709 1.00 0.00 H new ATOM 0 HE3 LYS A 35 4.990 -14.510 9.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.415 -13.689 10.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.348 -12.405 10.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.746 -12.611 9.768 1.00 0.00 H new ATOM 476 N VAL A 36 0.306 -10.718 4.536 1.00 0.00 N ATOM 477 CA VAL A 36 -0.091 -9.682 3.543 1.00 0.00 C ATOM 478 C VAL A 36 0.870 -8.493 3.636 1.00 0.00 C ATOM 479 O VAL A 36 1.193 -8.028 4.711 1.00 0.00 O ATOM 480 CB VAL A 36 -1.519 -9.214 3.838 1.00 0.00 C ATOM 481 CG1 VAL A 36 -1.808 -7.920 3.075 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.509 -10.295 3.395 1.00 0.00 C ATOM 0 H VAL A 36 -0.366 -10.879 5.286 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.049 -10.103 2.539 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.625 -9.033 4.908 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.825 -7.591 3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.104 -7.148 3.387 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.701 -8.097 2.005 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.526 -9.964 3.604 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.398 -10.474 2.326 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.308 -11.217 3.940 1.00 0.00 H new ATOM 492 N GLU A 37 1.325 -7.999 2.518 1.00 0.00 N ATOM 493 CA GLU A 37 2.262 -6.840 2.543 1.00 0.00 C ATOM 494 C GLU A 37 1.724 -5.730 1.638 1.00 0.00 C ATOM 495 O GLU A 37 1.055 -5.986 0.657 1.00 0.00 O ATOM 496 CB GLU A 37 3.638 -7.285 2.042 1.00 0.00 C ATOM 497 CG GLU A 37 4.015 -8.613 2.701 1.00 0.00 C ATOM 498 CD GLU A 37 5.508 -8.609 3.037 1.00 0.00 C ATOM 499 OE1 GLU A 37 6.301 -8.457 2.123 1.00 0.00 O ATOM 500 OE2 GLU A 37 5.832 -8.758 4.205 1.00 0.00 O ATOM 0 H GLU A 37 1.089 -8.347 1.589 1.00 0.00 H new ATOM 0 HA GLU A 37 2.351 -6.466 3.563 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.624 -7.396 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 37 4.385 -6.526 2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.428 -8.761 3.607 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.784 -9.442 2.032 1.00 0.00 H new ATOM 507 N TYR A 38 2.010 -4.498 1.959 1.00 0.00 N ATOM 508 CA TYR A 38 1.513 -3.374 1.117 1.00 0.00 C ATOM 509 C TYR A 38 2.704 -2.616 0.527 1.00 0.00 C ATOM 510 O TYR A 38 3.534 -2.090 1.243 1.00 0.00 O ATOM 511 CB TYR A 38 0.678 -2.423 1.977 1.00 0.00 C ATOM 512 CG TYR A 38 -0.655 -3.062 2.282 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.670 -3.062 1.316 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.879 -3.653 3.533 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.907 -3.654 1.600 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.117 -4.245 3.817 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.132 -4.245 2.850 1.00 0.00 C ATOM 518 OH TYR A 38 -4.350 -4.828 3.130 1.00 0.00 O ATOM 0 H TYR A 38 2.566 -4.221 2.768 1.00 0.00 H new ATOM 0 HA TYR A 38 0.896 -3.769 0.309 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.205 -2.195 2.904 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.530 -1.478 1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.498 -2.605 0.352 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.097 -3.652 4.278 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.688 -3.655 0.854 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.289 -4.701 4.781 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.337 -5.191 4.040 1.00 0.00 H new ATOM 528 N LEU A 39 2.792 -2.553 -0.773 1.00 0.00 N ATOM 529 CA LEU A 39 3.928 -1.828 -1.408 1.00 0.00 C ATOM 530 C LEU A 39 3.630 -0.328 -1.420 1.00 0.00 C ATOM 531 O LEU A 39 2.742 0.132 -2.110 1.00 0.00 O ATOM 532 CB LEU A 39 4.110 -2.322 -2.845 1.00 0.00 C ATOM 533 CG LEU A 39 5.505 -1.941 -3.343 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.562 -2.535 -2.411 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.709 -2.489 -4.757 1.00 0.00 C ATOM 0 H LEU A 39 2.127 -2.972 -1.423 1.00 0.00 H new ATOM 0 HA LEU A 39 4.840 -2.014 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.980 -3.403 -2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.349 -1.883 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 39 5.601 -0.855 -3.355 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.556 -2.263 -2.767 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.418 -2.146 -1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.466 -3.621 -2.398 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.703 -2.218 -5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.612 -3.575 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.957 -2.066 -5.423 1.00 0.00 H new ATOM 547 N LEU A 40 4.365 0.438 -0.660 1.00 0.00 N ATOM 548 CA LEU A 40 4.125 1.909 -0.626 1.00 0.00 C ATOM 549 C LEU A 40 5.346 2.639 -1.188 1.00 0.00 C ATOM 550 O LEU A 40 6.447 2.126 -1.173 1.00 0.00 O ATOM 551 CB LEU A 40 3.889 2.356 0.819 1.00 0.00 C ATOM 552 CG LEU A 40 2.832 1.462 1.466 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.417 0.800 2.715 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.620 2.310 1.860 1.00 0.00 C ATOM 0 H LEU A 40 5.122 0.108 -0.061 1.00 0.00 H new ATOM 0 HA LEU A 40 3.248 2.146 -1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.820 2.303 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.563 3.396 0.840 1.00 0.00 H new ATOM 0 HG LEU A 40 2.524 0.693 0.758 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.663 0.162 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.281 0.197 2.436 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.725 1.569 3.424 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.865 1.673 2.322 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.929 3.079 2.568 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.202 2.782 0.971 1.00 0.00 H new ATOM 566 N LYS A 41 5.161 3.832 -1.683 1.00 0.00 N ATOM 567 CA LYS A 41 6.313 4.592 -2.244 1.00 0.00 C ATOM 568 C LYS A 41 6.915 5.480 -1.153 1.00 0.00 C ATOM 569 O LYS A 41 6.233 5.920 -0.249 1.00 0.00 O ATOM 570 CB LYS A 41 5.831 5.466 -3.404 1.00 0.00 C ATOM 571 CG LYS A 41 7.003 6.288 -3.944 1.00 0.00 C ATOM 572 CD LYS A 41 6.677 6.772 -5.358 1.00 0.00 C ATOM 573 CE LYS A 41 6.227 8.234 -5.306 1.00 0.00 C ATOM 574 NZ LYS A 41 7.336 9.077 -4.777 1.00 0.00 N ATOM 0 H LYS A 41 4.262 4.313 -1.723 1.00 0.00 H new ATOM 0 HA LYS A 41 7.069 3.894 -2.605 1.00 0.00 H new ATOM 0 HB2 LYS A 41 5.415 4.842 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.033 6.128 -3.068 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.195 7.140 -3.292 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.910 5.684 -3.955 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.553 6.673 -5.999 1.00 0.00 H new ATOM 0 HD3 LYS A 41 5.892 6.154 -5.793 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.941 8.573 -6.302 1.00 0.00 H new ATOM 0 HE3 LYS A 41 5.347 8.332 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 7.128 10.079 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.430 8.924 -3.753 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.225 8.817 -5.249 1.00 0.00 H new ATOM 588 N TRP A 42 8.191 5.745 -1.230 1.00 0.00 N ATOM 589 CA TRP A 42 8.837 6.604 -0.197 1.00 0.00 C ATOM 590 C TRP A 42 9.554 7.770 -0.880 1.00 0.00 C ATOM 591 O TRP A 42 10.676 7.645 -1.329 1.00 0.00 O ATOM 592 CB TRP A 42 9.851 5.775 0.593 1.00 0.00 C ATOM 593 CG TRP A 42 9.135 4.701 1.347 1.00 0.00 C ATOM 594 CD1 TRP A 42 9.217 3.377 1.080 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.234 4.833 2.485 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.423 2.688 1.981 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.797 3.542 2.865 1.00 0.00 C ATOM 598 CE3 TRP A 42 7.757 5.939 3.215 1.00 0.00 C ATOM 599 CZ2 TRP A 42 6.917 3.354 3.934 1.00 0.00 C ATOM 600 CZ3 TRP A 42 6.873 5.754 4.292 1.00 0.00 C ATOM 601 CH2 TRP A 42 6.454 4.463 4.650 1.00 0.00 C ATOM 0 H TRP A 42 8.813 5.404 -1.963 1.00 0.00 H new ATOM 0 HA TRP A 42 8.077 6.992 0.481 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.582 5.334 -0.084 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.401 6.414 1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.806 2.930 0.292 1.00 0.00 H new ATOM 0 HE1 TRP A 42 8.314 1.674 1.990 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.073 6.936 2.945 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.596 2.359 4.206 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.515 6.609 4.846 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.774 4.326 5.478 1.00 0.00 H new ATOM 612 N LYS A 43 8.913 8.904 -0.963 1.00 0.00 N ATOM 613 CA LYS A 43 9.556 10.078 -1.618 1.00 0.00 C ATOM 614 C LYS A 43 10.750 10.539 -0.778 1.00 0.00 C ATOM 615 O LYS A 43 10.767 10.393 0.428 1.00 0.00 O ATOM 616 CB LYS A 43 8.543 11.218 -1.730 1.00 0.00 C ATOM 617 CG LYS A 43 7.823 11.396 -0.392 1.00 0.00 C ATOM 618 CD LYS A 43 7.369 12.849 -0.246 1.00 0.00 C ATOM 619 CE LYS A 43 8.486 13.671 0.398 1.00 0.00 C ATOM 620 NZ LYS A 43 8.639 14.961 -0.333 1.00 0.00 N ATOM 0 H LYS A 43 7.972 9.068 -0.605 1.00 0.00 H new ATOM 0 HA LYS A 43 9.898 9.796 -2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.049 12.142 -2.008 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.821 11.001 -2.517 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.963 10.728 -0.338 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.488 11.127 0.429 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.116 13.262 -1.223 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.468 12.900 0.365 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.255 13.860 1.446 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.422 13.114 0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.399 15.520 0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.878 14.770 -1.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.747 15.494 -0.288 1.00 0.00 H new ATOM 634 N GLY A 44 11.749 11.097 -1.407 1.00 0.00 N ATOM 635 CA GLY A 44 12.940 11.567 -0.645 1.00 0.00 C ATOM 636 C GLY A 44 14.111 10.611 -0.880 1.00 0.00 C ATOM 637 O GLY A 44 15.227 10.873 -0.478 1.00 0.00 O ATOM 0 H GLY A 44 11.791 11.247 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.211 12.575 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.707 11.618 0.419 1.00 0.00 H new ATOM 641 N PHE A 45 13.866 9.506 -1.530 1.00 0.00 N ATOM 642 CA PHE A 45 14.967 8.535 -1.788 1.00 0.00 C ATOM 643 C PHE A 45 15.176 8.389 -3.297 1.00 0.00 C ATOM 644 O PHE A 45 15.945 9.110 -3.900 1.00 0.00 O ATOM 645 CB PHE A 45 14.601 7.176 -1.189 1.00 0.00 C ATOM 646 CG PHE A 45 14.937 7.168 0.282 1.00 0.00 C ATOM 647 CD1 PHE A 45 16.261 7.351 0.700 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.923 6.977 1.231 1.00 0.00 C ATOM 649 CE1 PHE A 45 16.573 7.343 2.066 1.00 0.00 C ATOM 650 CE2 PHE A 45 14.234 6.969 2.597 1.00 0.00 C ATOM 651 CZ PHE A 45 15.559 7.152 3.014 1.00 0.00 C ATOM 0 H PHE A 45 12.952 9.234 -1.893 1.00 0.00 H new ATOM 0 HA PHE A 45 15.886 8.898 -1.328 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.539 6.978 -1.331 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.145 6.382 -1.702 1.00 0.00 H new ATOM 0 HD1 PHE A 45 17.042 7.498 -0.031 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.902 6.836 0.909 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.594 7.484 2.388 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.453 6.822 3.328 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.799 7.146 4.067 1.00 0.00 H new ATOM 661 N SER A 46 14.497 7.460 -3.911 1.00 0.00 N ATOM 662 CA SER A 46 14.657 7.268 -5.380 1.00 0.00 C ATOM 663 C SER A 46 13.328 7.553 -6.081 1.00 0.00 C ATOM 664 O SER A 46 12.374 7.990 -5.469 1.00 0.00 O ATOM 665 CB SER A 46 15.083 5.827 -5.661 1.00 0.00 C ATOM 666 OG SER A 46 13.932 5.045 -5.951 1.00 0.00 O ATOM 0 H SER A 46 13.838 6.826 -3.459 1.00 0.00 H new ATOM 0 HA SER A 46 15.418 7.952 -5.755 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.777 5.798 -6.501 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.608 5.416 -4.799 1.00 0.00 H new ATOM 0 HG SER A 46 14.202 4.121 -6.133 1.00 0.00 H new ATOM 672 N ASP A 47 13.257 7.309 -7.360 1.00 0.00 N ATOM 673 CA ASP A 47 11.990 7.566 -8.098 1.00 0.00 C ATOM 674 C ASP A 47 10.877 6.690 -7.522 1.00 0.00 C ATOM 675 O ASP A 47 9.817 7.168 -7.168 1.00 0.00 O ATOM 676 CB ASP A 47 12.185 7.234 -9.579 1.00 0.00 C ATOM 677 CG ASP A 47 13.143 8.247 -10.209 1.00 0.00 C ATOM 678 OD1 ASP A 47 12.669 9.269 -10.677 1.00 0.00 O ATOM 679 OD2 ASP A 47 14.334 7.983 -10.212 1.00 0.00 O ATOM 0 H ASP A 47 14.022 6.943 -7.926 1.00 0.00 H new ATOM 0 HA ASP A 47 11.717 8.616 -7.994 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.584 6.225 -9.687 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.226 7.255 -10.096 1.00 0.00 H new ATOM 684 N GLU A 48 11.106 5.409 -7.424 1.00 0.00 N ATOM 685 CA GLU A 48 10.059 4.506 -6.870 1.00 0.00 C ATOM 686 C GLU A 48 10.721 3.391 -6.058 1.00 0.00 C ATOM 687 O GLU A 48 10.705 2.238 -6.440 1.00 0.00 O ATOM 688 CB GLU A 48 9.255 3.892 -8.018 1.00 0.00 C ATOM 689 CG GLU A 48 10.203 3.170 -8.977 1.00 0.00 C ATOM 690 CD GLU A 48 9.531 3.015 -10.342 1.00 0.00 C ATOM 691 OE1 GLU A 48 8.594 2.238 -10.434 1.00 0.00 O ATOM 692 OE2 GLU A 48 9.963 3.676 -11.271 1.00 0.00 O ATOM 0 H GLU A 48 11.973 4.949 -7.704 1.00 0.00 H new ATOM 0 HA GLU A 48 9.393 5.078 -6.224 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.516 3.193 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.707 4.670 -8.549 1.00 0.00 H new ATOM 0 HG2 GLU A 48 11.131 3.732 -9.079 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.466 2.191 -8.576 1.00 0.00 H new ATOM 699 N ASP A 49 11.300 3.725 -4.937 1.00 0.00 N ATOM 700 CA ASP A 49 11.959 2.683 -4.101 1.00 0.00 C ATOM 701 C ASP A 49 10.963 2.168 -3.060 1.00 0.00 C ATOM 702 O ASP A 49 11.295 1.974 -1.908 1.00 0.00 O ATOM 703 CB ASP A 49 13.172 3.290 -3.392 1.00 0.00 C ATOM 704 CG ASP A 49 14.397 2.406 -3.629 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.629 2.042 -4.770 1.00 0.00 O ATOM 706 OD2 ASP A 49 15.084 2.108 -2.666 1.00 0.00 O ATOM 0 H ASP A 49 11.345 4.674 -4.565 1.00 0.00 H new ATOM 0 HA ASP A 49 12.286 1.858 -4.734 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.359 4.297 -3.766 1.00 0.00 H new ATOM 0 HB3 ASP A 49 12.975 3.378 -2.324 1.00 0.00 H new ATOM 711 N ASN A 50 9.740 1.948 -3.461 1.00 0.00 N ATOM 712 CA ASN A 50 8.715 1.449 -2.504 1.00 0.00 C ATOM 713 C ASN A 50 9.258 0.235 -1.748 1.00 0.00 C ATOM 714 O ASN A 50 10.339 -0.248 -2.020 1.00 0.00 O ATOM 715 CB ASN A 50 7.456 1.046 -3.273 1.00 0.00 C ATOM 716 CG ASN A 50 7.848 0.190 -4.479 1.00 0.00 C ATOM 717 OD1 ASN A 50 8.268 -0.940 -4.326 1.00 0.00 O ATOM 718 ND2 ASN A 50 7.729 0.685 -5.681 1.00 0.00 N ATOM 0 H ASN A 50 9.407 2.093 -4.414 1.00 0.00 H new ATOM 0 HA ASN A 50 8.474 2.238 -1.792 1.00 0.00 H new ATOM 0 HB2 ASN A 50 6.782 0.489 -2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 50 6.919 1.935 -3.604 1.00 0.00 H new ATOM 0 HD21 ASN A 50 7.989 0.123 -6.492 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.376 1.633 -5.809 1.00 0.00 H new ATOM 725 N THR A 51 8.512 -0.262 -0.800 1.00 0.00 N ATOM 726 CA THR A 51 8.975 -1.446 -0.024 1.00 0.00 C ATOM 727 C THR A 51 7.761 -2.258 0.433 1.00 0.00 C ATOM 728 O THR A 51 6.696 -1.720 0.667 1.00 0.00 O ATOM 729 CB THR A 51 9.764 -0.976 1.200 1.00 0.00 C ATOM 730 OG1 THR A 51 10.200 0.361 0.996 1.00 0.00 O ATOM 731 CG2 THR A 51 10.977 -1.885 1.408 1.00 0.00 C ATOM 0 H THR A 51 7.599 0.103 -0.529 1.00 0.00 H new ATOM 0 HA THR A 51 9.614 -2.067 -0.651 1.00 0.00 H new ATOM 0 HB THR A 51 9.126 -1.019 2.083 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.704 0.664 1.780 1.00 0.00 H new ATOM 0 HG21 THR A 51 11.538 -1.549 2.280 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.641 -2.910 1.565 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.617 -1.844 0.527 1.00 0.00 H new ATOM 739 N TRP A 52 7.910 -3.548 0.560 1.00 0.00 N ATOM 740 CA TRP A 52 6.763 -4.390 1.001 1.00 0.00 C ATOM 741 C TRP A 52 6.766 -4.498 2.527 1.00 0.00 C ATOM 742 O TRP A 52 7.554 -5.218 3.106 1.00 0.00 O ATOM 743 CB TRP A 52 6.891 -5.788 0.392 1.00 0.00 C ATOM 744 CG TRP A 52 6.810 -5.692 -1.098 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.848 -5.399 -1.917 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.652 -5.884 -1.963 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.400 -5.400 -3.222 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.061 -5.691 -3.302 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.302 -6.202 -1.720 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.173 -5.808 -4.363 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.397 -6.322 -2.791 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.834 -6.125 -4.111 1.00 0.00 C ATOM 0 H TRP A 52 8.776 -4.055 0.377 1.00 0.00 H new ATOM 0 HA TRP A 52 5.830 -3.933 0.670 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.838 -6.239 0.687 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.099 -6.435 0.769 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.861 -5.198 -1.600 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.992 -5.208 -4.030 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.960 -6.355 -0.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.514 -5.655 -5.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.363 -6.566 -2.597 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.137 -6.218 -4.931 1.00 0.00 H new ATOM 763 N GLU A 53 5.888 -3.789 3.184 1.00 0.00 N ATOM 764 CA GLU A 53 5.842 -3.854 4.672 1.00 0.00 C ATOM 765 C GLU A 53 4.679 -4.749 5.107 1.00 0.00 C ATOM 766 O GLU A 53 3.724 -4.922 4.376 1.00 0.00 O ATOM 767 CB GLU A 53 5.644 -2.446 5.238 1.00 0.00 C ATOM 768 CG GLU A 53 6.933 -1.641 5.069 1.00 0.00 C ATOM 769 CD GLU A 53 7.837 -1.863 6.283 1.00 0.00 C ATOM 770 OE1 GLU A 53 7.573 -1.262 7.311 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.778 -2.630 6.164 1.00 0.00 O ATOM 0 H GLU A 53 5.202 -3.168 2.755 1.00 0.00 H new ATOM 0 HA GLU A 53 6.778 -4.267 5.048 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.822 -1.948 4.723 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.373 -2.501 6.292 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.448 -1.946 4.158 1.00 0.00 H new ATOM 0 HG3 GLU A 53 6.701 -0.581 4.964 1.00 0.00 H new ATOM 778 N PRO A 54 4.795 -5.293 6.293 1.00 0.00 N ATOM 779 CA PRO A 54 3.767 -6.179 6.863 1.00 0.00 C ATOM 780 C PRO A 54 2.596 -5.357 7.410 1.00 0.00 C ATOM 781 O PRO A 54 2.783 -4.315 8.006 1.00 0.00 O ATOM 782 CB PRO A 54 4.503 -6.900 7.995 1.00 0.00 C ATOM 783 CG PRO A 54 5.703 -5.998 8.377 1.00 0.00 C ATOM 784 CD PRO A 54 5.961 -5.075 7.171 1.00 0.00 C ATOM 0 HA PRO A 54 3.340 -6.866 6.133 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.845 -7.055 8.850 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.843 -7.884 7.673 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.480 -5.415 9.271 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.584 -6.599 8.600 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.039 -4.032 7.477 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.893 -5.330 6.666 1.00 0.00 H new ATOM 792 N GLU A 55 1.392 -5.819 7.213 1.00 0.00 N ATOM 793 CA GLU A 55 0.213 -5.065 7.723 1.00 0.00 C ATOM 794 C GLU A 55 0.099 -5.260 9.237 1.00 0.00 C ATOM 795 O GLU A 55 -0.699 -4.623 9.896 1.00 0.00 O ATOM 796 CB GLU A 55 -1.057 -5.582 7.045 1.00 0.00 C ATOM 797 CG GLU A 55 -1.207 -7.081 7.317 1.00 0.00 C ATOM 798 CD GLU A 55 -2.619 -7.530 6.933 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.140 -7.013 5.959 1.00 0.00 O ATOM 800 OE2 GLU A 55 -3.154 -8.384 7.621 1.00 0.00 O ATOM 0 H GLU A 55 1.174 -6.686 6.721 1.00 0.00 H new ATOM 0 HA GLU A 55 0.336 -4.005 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.927 -5.044 7.421 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.009 -5.399 5.971 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -0.467 -7.641 6.745 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -1.021 -7.291 8.370 1.00 0.00 H new ATOM 807 N GLU A 56 0.891 -6.136 9.793 1.00 0.00 N ATOM 808 CA GLU A 56 0.826 -6.371 11.264 1.00 0.00 C ATOM 809 C GLU A 56 1.803 -5.431 11.974 1.00 0.00 C ATOM 810 O GLU A 56 2.526 -5.830 12.865 1.00 0.00 O ATOM 811 CB GLU A 56 1.203 -7.823 11.565 1.00 0.00 C ATOM 812 CG GLU A 56 0.134 -8.757 10.995 1.00 0.00 C ATOM 813 CD GLU A 56 -0.026 -9.969 11.913 1.00 0.00 C ATOM 814 OE1 GLU A 56 0.659 -10.019 12.921 1.00 0.00 O ATOM 815 OE2 GLU A 56 -0.831 -10.828 11.592 1.00 0.00 O ATOM 0 H GLU A 56 1.580 -6.699 9.293 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.186 -6.178 11.619 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.174 -8.056 11.128 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.294 -7.971 12.641 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.815 -8.228 10.904 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.416 -9.081 9.993 1.00 0.00 H new ATOM 822 N ASN A 57 1.830 -4.186 11.586 1.00 0.00 N ATOM 823 CA ASN A 57 2.759 -3.221 12.238 1.00 0.00 C ATOM 824 C ASN A 57 2.645 -1.860 11.548 1.00 0.00 C ATOM 825 O ASN A 57 2.784 -0.825 12.170 1.00 0.00 O ATOM 826 CB ASN A 57 4.196 -3.736 12.117 1.00 0.00 C ATOM 827 CG ASN A 57 4.624 -4.369 13.443 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.253 -3.899 14.501 1.00 0.00 O ATOM 829 ND2 ASN A 57 5.395 -5.420 13.431 1.00 0.00 N ATOM 0 H ASN A 57 1.248 -3.795 10.845 1.00 0.00 H new ATOM 0 HA ASN A 57 2.497 -3.118 13.291 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.265 -4.469 11.313 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.867 -2.916 11.860 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.687 -5.848 14.309 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.706 -5.814 12.543 1.00 0.00 H new ATOM 836 N LEU A 58 2.393 -1.852 10.269 1.00 0.00 N ATOM 837 CA LEU A 58 2.270 -0.559 9.541 1.00 0.00 C ATOM 838 C LEU A 58 1.205 0.306 10.218 1.00 0.00 C ATOM 839 O LEU A 58 0.213 -0.189 10.716 1.00 0.00 O ATOM 840 CB LEU A 58 1.863 -0.826 8.090 1.00 0.00 C ATOM 841 CG LEU A 58 3.104 -0.798 7.198 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.698 -1.077 5.750 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.761 0.582 7.285 1.00 0.00 C ATOM 0 H LEU A 58 2.267 -2.686 9.696 1.00 0.00 H new ATOM 0 HA LEU A 58 3.228 -0.039 9.559 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.368 -1.794 8.012 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.147 -0.074 7.758 1.00 0.00 H new ATOM 0 HG LEU A 58 3.809 -1.560 7.531 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.583 -1.057 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.228 -2.058 5.687 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.994 -0.315 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.646 0.604 6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.055 1.343 6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.050 0.783 8.317 1.00 0.00 H new ATOM 855 N ASP A 59 1.400 1.596 10.241 1.00 0.00 N ATOM 856 CA ASP A 59 0.399 2.490 10.886 1.00 0.00 C ATOM 857 C ASP A 59 -0.320 3.309 9.811 1.00 0.00 C ATOM 858 O ASP A 59 -0.655 4.458 10.013 1.00 0.00 O ATOM 859 CB ASP A 59 1.108 3.435 11.857 1.00 0.00 C ATOM 860 CG ASP A 59 1.849 2.616 12.917 1.00 0.00 C ATOM 861 OD1 ASP A 59 2.031 1.429 12.699 1.00 0.00 O ATOM 862 OD2 ASP A 59 2.223 3.190 13.926 1.00 0.00 O ATOM 0 H ASP A 59 2.210 2.069 9.841 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.327 1.888 11.432 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.810 4.070 11.316 1.00 0.00 H new ATOM 0 HB3 ASP A 59 0.383 4.095 12.333 1.00 0.00 H new ATOM 867 N CYS A 60 -0.559 2.724 8.668 1.00 0.00 N ATOM 868 CA CYS A 60 -1.255 3.468 7.583 1.00 0.00 C ATOM 869 C CYS A 60 -2.505 2.694 7.153 1.00 0.00 C ATOM 870 O CYS A 60 -2.511 2.052 6.122 1.00 0.00 O ATOM 871 CB CYS A 60 -0.315 3.623 6.385 1.00 0.00 C ATOM 872 SG CYS A 60 0.565 2.067 6.103 1.00 0.00 S ATOM 0 H CYS A 60 -0.302 1.764 8.440 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.545 4.454 7.948 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.883 3.898 5.496 1.00 0.00 H new ATOM 0 HB3 CYS A 60 0.397 4.427 6.570 1.00 0.00 H new ATOM 0 HG CYS A 60 1.362 2.198 5.084 1.00 0.00 H new ATOM 878 N PRO A 61 -3.530 2.784 7.963 1.00 0.00 N ATOM 879 CA PRO A 61 -4.809 2.103 7.701 1.00 0.00 C ATOM 880 C PRO A 61 -5.608 2.867 6.643 1.00 0.00 C ATOM 881 O PRO A 61 -6.607 2.392 6.141 1.00 0.00 O ATOM 882 CB PRO A 61 -5.518 2.136 9.057 1.00 0.00 C ATOM 883 CG PRO A 61 -4.883 3.303 9.853 1.00 0.00 C ATOM 884 CD PRO A 61 -3.508 3.572 9.212 1.00 0.00 C ATOM 0 HA PRO A 61 -4.689 1.090 7.317 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.590 2.289 8.931 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.391 1.191 9.585 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.513 4.192 9.808 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.776 3.042 10.906 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.363 4.633 9.011 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.695 3.258 9.867 1.00 0.00 H new ATOM 892 N ASP A 62 -5.174 4.049 6.300 1.00 0.00 N ATOM 893 CA ASP A 62 -5.905 4.843 5.273 1.00 0.00 C ATOM 894 C ASP A 62 -5.353 4.505 3.888 1.00 0.00 C ATOM 895 O ASP A 62 -6.070 4.495 2.907 1.00 0.00 O ATOM 896 CB ASP A 62 -5.713 6.336 5.550 1.00 0.00 C ATOM 897 CG ASP A 62 -6.922 7.112 5.027 1.00 0.00 C ATOM 898 OD1 ASP A 62 -8.026 6.607 5.154 1.00 0.00 O ATOM 899 OD2 ASP A 62 -6.726 8.200 4.511 1.00 0.00 O ATOM 0 H ASP A 62 -4.344 4.499 6.687 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.967 4.602 5.312 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.594 6.506 6.620 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.803 6.692 5.068 1.00 0.00 H new ATOM 904 N LEU A 63 -4.082 4.221 3.800 1.00 0.00 N ATOM 905 CA LEU A 63 -3.489 3.878 2.480 1.00 0.00 C ATOM 906 C LEU A 63 -3.894 2.454 2.112 1.00 0.00 C ATOM 907 O LEU A 63 -4.088 2.129 0.958 1.00 0.00 O ATOM 908 CB LEU A 63 -1.964 3.970 2.564 1.00 0.00 C ATOM 909 CG LEU A 63 -1.523 5.412 2.307 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.324 5.746 3.196 1.00 0.00 C ATOM 911 CD2 LEU A 63 -1.126 5.571 0.838 1.00 0.00 C ATOM 0 H LEU A 63 -3.431 4.212 4.585 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.849 4.573 1.721 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.623 3.644 3.547 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.508 3.303 1.832 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.346 6.088 2.537 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.010 6.774 3.013 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.605 5.634 4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.499 5.069 2.967 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.812 6.599 0.655 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.304 4.894 0.608 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.979 5.334 0.203 1.00 0.00 H new ATOM 923 N ILE A 64 -4.030 1.603 3.090 1.00 0.00 N ATOM 924 CA ILE A 64 -4.430 0.201 2.802 1.00 0.00 C ATOM 925 C ILE A 64 -5.899 0.179 2.376 1.00 0.00 C ATOM 926 O ILE A 64 -6.266 -0.459 1.409 1.00 0.00 O ATOM 927 CB ILE A 64 -4.248 -0.653 4.058 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.755 -0.881 4.306 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.943 -2.003 3.865 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.533 -1.259 5.771 1.00 0.00 C ATOM 0 H ILE A 64 -3.881 1.819 4.076 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.809 -0.202 2.002 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.686 -0.138 4.913 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.384 -1.673 3.655 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.193 0.021 4.063 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.813 -2.611 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -6.006 -1.843 3.687 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.506 -2.518 3.010 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.470 -1.421 5.948 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.889 -0.453 6.413 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.082 -2.173 5.998 1.00 0.00 H new ATOM 942 N ALA A 65 -6.740 0.878 3.089 1.00 0.00 N ATOM 943 CA ALA A 65 -8.185 0.905 2.727 1.00 0.00 C ATOM 944 C ALA A 65 -8.420 1.946 1.633 1.00 0.00 C ATOM 945 O ALA A 65 -9.535 2.167 1.204 1.00 0.00 O ATOM 946 CB ALA A 65 -9.013 1.267 3.962 1.00 0.00 C ATOM 0 H ALA A 65 -6.488 1.432 3.907 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.485 -0.077 2.362 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -10.070 1.287 3.698 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.848 0.523 4.742 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.712 2.249 4.327 1.00 0.00 H new ATOM 952 N GLU A 66 -7.380 2.588 1.174 1.00 0.00 N ATOM 953 CA GLU A 66 -7.553 3.610 0.105 1.00 0.00 C ATOM 954 C GLU A 66 -7.300 2.962 -1.256 1.00 0.00 C ATOM 955 O GLU A 66 -8.021 3.188 -2.208 1.00 0.00 O ATOM 956 CB GLU A 66 -6.558 4.753 0.322 1.00 0.00 C ATOM 957 CG GLU A 66 -6.513 5.636 -0.927 1.00 0.00 C ATOM 958 CD GLU A 66 -7.925 6.123 -1.258 1.00 0.00 C ATOM 959 OE1 GLU A 66 -8.476 6.865 -0.462 1.00 0.00 O ATOM 960 OE2 GLU A 66 -8.430 5.747 -2.302 1.00 0.00 O ATOM 0 H GLU A 66 -6.421 2.449 1.493 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.568 4.006 0.139 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.852 5.345 1.188 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.567 4.351 0.532 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.853 6.487 -0.760 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.104 5.075 -1.767 1.00 0.00 H new ATOM 967 N PHE A 67 -6.280 2.155 -1.356 1.00 0.00 N ATOM 968 CA PHE A 67 -5.980 1.489 -2.652 1.00 0.00 C ATOM 969 C PHE A 67 -6.922 0.296 -2.839 1.00 0.00 C ATOM 970 O PHE A 67 -7.217 -0.106 -3.946 1.00 0.00 O ATOM 971 CB PHE A 67 -4.527 1.004 -2.650 1.00 0.00 C ATOM 972 CG PHE A 67 -4.313 0.029 -3.783 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.664 0.386 -5.092 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.766 -1.234 -3.525 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.467 -0.520 -6.143 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.569 -2.141 -4.574 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.919 -1.784 -5.884 1.00 0.00 C ATOM 0 H PHE A 67 -5.641 1.928 -0.594 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.124 2.195 -3.470 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.850 1.852 -2.755 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.294 0.527 -1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -5.087 1.360 -5.291 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.496 -1.509 -2.516 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.737 -0.245 -7.152 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.148 -3.115 -4.374 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.766 -2.483 -6.693 1.00 0.00 H new ATOM 987 N LEU A 68 -7.395 -0.275 -1.764 1.00 0.00 N ATOM 988 CA LEU A 68 -8.314 -1.440 -1.887 1.00 0.00 C ATOM 989 C LEU A 68 -9.750 -0.939 -2.060 1.00 0.00 C ATOM 990 O LEU A 68 -10.528 -1.504 -2.803 1.00 0.00 O ATOM 991 CB LEU A 68 -8.195 -2.319 -0.631 1.00 0.00 C ATOM 992 CG LEU A 68 -9.097 -1.791 0.492 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.536 -2.263 0.267 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.597 -2.327 1.835 1.00 0.00 C ATOM 0 H LEU A 68 -7.185 0.015 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 68 -8.044 -2.036 -2.759 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.471 -3.345 -0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.159 -2.339 -0.292 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.070 -0.701 0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.172 -1.885 1.067 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.896 -1.888 -0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.565 -3.353 0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.235 -1.954 2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.626 -3.417 1.825 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.573 -1.993 2.002 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.106 0.121 -1.388 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.487 0.658 -1.526 1.00 0.00 C ATOM 1008 C GLN A 69 -11.674 1.196 -2.946 1.00 0.00 C ATOM 1009 O GLN A 69 -12.767 1.534 -3.356 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.701 1.789 -0.517 1.00 0.00 C ATOM 1011 CG GLN A 69 -13.157 2.254 -0.570 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.706 2.375 0.853 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -13.204 1.749 1.766 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.725 3.158 1.083 1.00 0.00 N ATOM 0 H GLN A 69 -9.500 0.637 -0.750 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.210 -0.135 -1.335 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -11.455 1.445 0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.034 2.622 -0.742 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.225 3.215 -1.080 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.755 1.546 -1.143 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.147 3.684 0.318 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.099 3.244 2.028 1.00 0.00 H new ATOM 1023 N SER A 70 -10.610 1.277 -3.700 1.00 0.00 N ATOM 1024 CA SER A 70 -10.716 1.790 -5.092 1.00 0.00 C ATOM 1025 C SER A 70 -11.797 1.018 -5.845 1.00 0.00 C ATOM 1026 O SER A 70 -12.882 1.512 -6.079 1.00 0.00 O ATOM 1027 CB SER A 70 -9.377 1.599 -5.804 1.00 0.00 C ATOM 1028 OG SER A 70 -8.420 2.497 -5.257 1.00 0.00 O ATOM 0 H SER A 70 -9.670 1.008 -3.408 1.00 0.00 H new ATOM 0 HA SER A 70 -10.976 2.848 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.035 0.571 -5.689 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.492 1.779 -6.873 1.00 0.00 H new ATOM 0 HG SER A 70 -8.568 2.585 -4.292 1.00 0.00 H new ATOM 1034 N GLN A 71 -11.504 -0.190 -6.229 1.00 0.00 N ATOM 1035 CA GLN A 71 -12.504 -1.005 -6.973 1.00 0.00 C ATOM 1036 C GLN A 71 -13.107 -2.035 -6.024 1.00 0.00 C ATOM 1037 O GLN A 71 -13.622 -3.053 -6.444 1.00 0.00 O ATOM 1038 CB GLN A 71 -11.822 -1.735 -8.137 1.00 0.00 C ATOM 1039 CG GLN A 71 -10.474 -1.080 -8.457 1.00 0.00 C ATOM 1040 CD GLN A 71 -9.872 -1.731 -9.703 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -10.433 -1.648 -10.778 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.745 -2.380 -9.604 1.00 0.00 N ATOM 0 H GLN A 71 -10.610 -0.652 -6.059 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.283 -0.352 -7.366 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.673 -2.784 -7.880 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.464 -1.710 -9.017 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.607 -0.011 -8.621 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.794 -1.191 -7.612 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.274 -2.450 -8.702 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.334 -2.818 -10.429 1.00 0.00 H new