USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 460 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 21 TYR OH : rot 180:sc= 0 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 USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= -0.0345 (180deg=-0.242) USER MOD Single : A 43 LYS NZ :NH3+ 140:sc= -2.99! (180deg=-6!) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.84 K(o=-1.8,f=-4.9!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -5.76! C(o=-5.8!,f=-1.6!) USER MOD Single : A 60 CYS SG : rot 53:sc= -0.298 USER MOD Single : A 69 GLN : amide:sc= -1.15 K(o=-1.1,f=-3.5!) USER MOD Single : A 70 SER OG : rot -54:sc= 0.931 USER MOD Single : A 71 GLN : amide:sc= -0.342 K(o=-0.34,f=-3.7!) USER MOD Single : B 5 GLN : amide:sc= -2.14! C(o=-2.1!,f=-2.7!) USER MOD Single : B 6 THR OG1 : rot 26:sc= -1.55! USER MOD ----------------------------------------------------------------- ATOM 179 N GLU A 19 -11.367 -5.782 2.322 1.00 0.00 N ATOM 180 CA GLU A 19 -10.710 -7.061 2.068 1.00 0.00 C ATOM 181 C GLU A 19 -9.227 -6.881 1.764 1.00 0.00 C ATOM 182 O GLU A 19 -8.827 -5.927 1.098 1.00 0.00 O ATOM 183 CB GLU A 19 -11.394 -7.776 0.904 1.00 0.00 C ATOM 184 CG GLU A 19 -10.795 -9.136 0.583 1.00 0.00 C ATOM 185 CD GLU A 19 -11.470 -9.807 -0.597 1.00 0.00 C ATOM 186 OE1 GLU A 19 -12.693 -10.050 -0.521 1.00 0.00 O ATOM 187 OE2 GLU A 19 -10.777 -10.090 -1.597 1.00 0.00 O ATOM 0 HA GLU A 19 -10.796 -7.665 2.972 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.451 -7.901 1.137 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.336 -7.145 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.732 -9.020 0.371 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.877 -9.781 1.458 1.00 0.00 H new ATOM 194 N GLU A 20 -8.419 -7.815 2.260 1.00 0.00 N ATOM 195 CA GLU A 20 -6.976 -7.782 2.048 1.00 0.00 C ATOM 196 C GLU A 20 -6.615 -8.283 0.653 1.00 0.00 C ATOM 197 O GLU A 20 -7.072 -9.342 0.225 1.00 0.00 O ATOM 198 CB GLU A 20 -6.270 -8.639 3.101 1.00 0.00 C ATOM 199 CG GLU A 20 -6.423 -8.113 4.517 1.00 0.00 C ATOM 200 CD GLU A 20 -5.798 -9.026 5.553 1.00 0.00 C ATOM 201 OE1 GLU A 20 -4.569 -9.243 5.489 1.00 0.00 O ATOM 202 OE2 GLU A 20 -6.535 -9.526 6.426 1.00 0.00 O ATOM 0 H GLU A 20 -8.742 -8.608 2.814 1.00 0.00 H new ATOM 0 HA GLU A 20 -6.645 -6.747 2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.665 -9.654 3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.209 -8.698 2.857 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.965 -7.126 4.585 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -7.482 -7.988 4.741 1.00 0.00 H new ATOM 209 N TYR A 21 -5.778 -7.522 -0.048 1.00 0.00 N ATOM 210 CA TYR A 21 -5.343 -7.896 -1.390 1.00 0.00 C ATOM 211 C TYR A 21 -3.832 -8.027 -1.448 1.00 0.00 C ATOM 212 O TYR A 21 -3.099 -7.181 -0.935 1.00 0.00 O ATOM 213 CB TYR A 21 -5.820 -6.878 -2.430 1.00 0.00 C ATOM 214 CG TYR A 21 -7.310 -6.921 -2.701 1.00 0.00 C ATOM 215 CD1 TYR A 21 -8.232 -6.705 -1.685 1.00 0.00 C ATOM 216 CD2 TYR A 21 -7.793 -7.173 -3.979 1.00 0.00 C ATOM 217 CE1 TYR A 21 -9.591 -6.740 -1.933 1.00 0.00 C ATOM 218 CE2 TYR A 21 -9.150 -7.209 -4.236 1.00 0.00 C ATOM 219 CZ TYR A 21 -10.045 -6.992 -3.210 1.00 0.00 C ATOM 220 OH TYR A 21 -11.397 -7.028 -3.462 1.00 0.00 O ATOM 0 H TYR A 21 -5.388 -6.643 0.292 1.00 0.00 H new ATOM 0 HA TYR A 21 -5.790 -8.862 -1.624 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -5.552 -5.877 -2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -5.287 -7.052 -3.364 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.881 -6.506 -0.683 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -7.096 -7.344 -4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -10.294 -6.571 -1.131 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -9.508 -7.406 -5.236 1.00 0.00 H new ATOM 0 HH TYR A 21 -11.548 -7.216 -4.412 1.00 0.00 H new ATOM 230 N VAL A 22 -3.379 -9.104 -2.072 1.00 0.00 N ATOM 231 CA VAL A 22 -1.959 -9.380 -2.201 1.00 0.00 C ATOM 232 C VAL A 22 -1.227 -8.214 -2.853 1.00 0.00 C ATOM 233 O VAL A 22 -1.719 -7.615 -3.809 1.00 0.00 O ATOM 234 CB VAL A 22 -1.711 -10.655 -3.030 1.00 0.00 C ATOM 235 CG1 VAL A 22 -0.539 -11.416 -2.457 1.00 0.00 C ATOM 236 CG2 VAL A 22 -2.952 -11.536 -3.075 1.00 0.00 C ATOM 0 H VAL A 22 -3.982 -9.806 -2.500 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.572 -9.527 -1.193 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.480 -10.361 -4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -0.367 -12.317 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.352 -10.788 -2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.755 -11.693 -1.425 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -2.744 -12.427 -3.667 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.227 -11.830 -2.062 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.775 -10.983 -3.528 1.00 0.00 H new ATOM 246 N VAL A 23 -0.046 -7.893 -2.329 1.00 0.00 N ATOM 247 CA VAL A 23 0.749 -6.797 -2.865 1.00 0.00 C ATOM 248 C VAL A 23 2.212 -7.194 -3.020 1.00 0.00 C ATOM 249 O VAL A 23 2.783 -7.865 -2.159 1.00 0.00 O ATOM 250 CB VAL A 23 0.642 -5.538 -1.984 1.00 0.00 C ATOM 251 CG1 VAL A 23 1.124 -5.802 -0.570 1.00 0.00 C ATOM 252 CG2 VAL A 23 1.409 -4.387 -2.612 1.00 0.00 C ATOM 0 H VAL A 23 0.378 -8.376 -1.537 1.00 0.00 H new ATOM 0 HA VAL A 23 0.344 -6.567 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.411 -5.262 -1.921 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.033 -4.891 0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.518 -6.589 -0.120 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.167 -6.117 -0.594 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.324 -3.504 -1.978 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.459 -4.662 -2.713 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.995 -4.168 -3.596 1.00 0.00 H new ATOM 262 N GLU A 24 2.804 -6.789 -4.140 1.00 0.00 N ATOM 263 CA GLU A 24 4.194 -7.114 -4.439 1.00 0.00 C ATOM 264 C GLU A 24 5.177 -6.298 -3.600 1.00 0.00 C ATOM 265 O GLU A 24 6.021 -6.866 -2.908 1.00 0.00 O ATOM 266 CB GLU A 24 4.478 -6.894 -5.922 1.00 0.00 C ATOM 267 CG GLU A 24 5.838 -7.416 -6.350 1.00 0.00 C ATOM 268 CD GLU A 24 5.918 -8.932 -6.335 1.00 0.00 C ATOM 269 OE1 GLU A 24 4.899 -9.580 -6.014 1.00 0.00 O ATOM 270 OE2 GLU A 24 7.000 -9.471 -6.647 1.00 0.00 O ATOM 0 H GLU A 24 2.340 -6.233 -4.858 1.00 0.00 H new ATOM 0 HA GLU A 24 4.338 -8.164 -4.185 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.704 -7.386 -6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.418 -5.828 -6.144 1.00 0.00 H new ATOM 0 HG2 GLU A 24 6.061 -7.055 -7.354 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.603 -7.010 -5.688 1.00 0.00 H new ATOM 277 N LYS A 25 5.085 -4.967 -3.674 1.00 0.00 N ATOM 278 CA LYS A 25 6.004 -4.107 -2.923 1.00 0.00 C ATOM 279 C LYS A 25 5.649 -2.630 -3.059 1.00 0.00 C ATOM 280 O LYS A 25 5.179 -2.191 -4.109 1.00 0.00 O ATOM 281 CB LYS A 25 7.433 -4.326 -3.419 1.00 0.00 C ATOM 282 CG LYS A 25 8.471 -3.499 -2.678 1.00 0.00 C ATOM 283 CD LYS A 25 9.877 -3.799 -3.172 1.00 0.00 C ATOM 284 CE LYS A 25 10.914 -2.966 -2.437 1.00 0.00 C ATOM 285 NZ LYS A 25 12.298 -3.272 -2.895 1.00 0.00 N ATOM 0 H LYS A 25 4.396 -4.468 -4.236 1.00 0.00 H new ATOM 0 HA LYS A 25 5.919 -4.378 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.685 -5.382 -3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 25 7.480 -4.085 -4.481 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.256 -2.439 -2.811 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.408 -3.706 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.094 -4.858 -3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 25 9.939 -3.598 -4.242 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.706 -1.907 -2.592 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.836 -3.152 -1.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.976 -2.683 -2.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.506 -4.276 -2.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.380 -3.070 -3.912 1.00 0.00 H new ATOM 299 N VAL A 26 5.895 -1.860 -1.996 1.00 0.00 N ATOM 300 CA VAL A 26 5.616 -0.430 -2.025 1.00 0.00 C ATOM 301 C VAL A 26 6.509 0.275 -3.025 1.00 0.00 C ATOM 302 O VAL A 26 7.714 0.027 -3.082 1.00 0.00 O ATOM 303 CB VAL A 26 5.813 0.256 -0.658 1.00 0.00 C ATOM 304 CG1 VAL A 26 4.801 -0.217 0.352 1.00 0.00 C ATOM 305 CG2 VAL A 26 7.206 0.030 -0.134 1.00 0.00 C ATOM 0 H VAL A 26 6.282 -2.201 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 26 4.567 -0.348 -2.309 1.00 0.00 H new ATOM 0 HB VAL A 26 5.665 1.325 -0.814 1.00 0.00 H new ATOM 0 HG11 VAL A 26 4.972 0.289 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 26 3.797 0.011 -0.005 1.00 0.00 H new ATOM 0 HG13 VAL A 26 4.901 -1.294 0.491 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.317 0.525 0.831 1.00 0.00 H new ATOM 0 HG22 VAL A 26 7.381 -1.039 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 26 7.930 0.441 -0.837 1.00 0.00 H new ATOM 315 N LEU A 27 5.920 1.169 -3.800 1.00 0.00 N ATOM 316 CA LEU A 27 6.675 1.921 -4.776 1.00 0.00 C ATOM 317 C LEU A 27 7.194 3.212 -4.162 1.00 0.00 C ATOM 318 O LEU A 27 8.135 3.813 -4.683 1.00 0.00 O ATOM 319 CB LEU A 27 5.835 2.224 -6.021 1.00 0.00 C ATOM 320 CG LEU A 27 5.426 1.006 -6.860 1.00 0.00 C ATOM 321 CD1 LEU A 27 6.647 0.195 -7.268 1.00 0.00 C ATOM 322 CD2 LEU A 27 4.432 0.137 -6.106 1.00 0.00 C ATOM 0 H LEU A 27 4.924 1.389 -3.770 1.00 0.00 H new ATOM 0 HA LEU A 27 7.523 1.310 -5.086 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.931 2.747 -5.709 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.396 2.909 -6.657 1.00 0.00 H new ATOM 0 HG LEU A 27 4.940 1.369 -7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.332 -0.663 -7.862 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.317 0.819 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.168 -0.153 -6.376 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.157 -0.720 -6.722 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.885 -0.213 -5.178 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.540 0.720 -5.877 1.00 0.00 H new ATOM 334 N ASP A 28 6.585 3.640 -3.050 1.00 0.00 N ATOM 335 CA ASP A 28 7.022 4.874 -2.391 1.00 0.00 C ATOM 336 C ASP A 28 6.194 5.167 -1.136 1.00 0.00 C ATOM 337 O ASP A 28 5.696 4.250 -0.482 1.00 0.00 O ATOM 338 CB ASP A 28 6.925 6.048 -3.377 1.00 0.00 C ATOM 339 CG ASP A 28 7.766 7.241 -2.962 1.00 0.00 C ATOM 340 OD1 ASP A 28 8.995 7.077 -2.810 1.00 0.00 O ATOM 341 OD2 ASP A 28 7.197 8.340 -2.796 1.00 0.00 O ATOM 0 H ASP A 28 5.806 3.162 -2.597 1.00 0.00 H new ATOM 0 HA ASP A 28 8.058 4.744 -2.078 1.00 0.00 H new ATOM 0 HB2 ASP A 28 7.242 5.713 -4.365 1.00 0.00 H new ATOM 0 HB3 ASP A 28 5.883 6.357 -3.464 1.00 0.00 H new ATOM 346 N ARG A 29 6.056 6.452 -0.804 1.00 0.00 N ATOM 347 CA ARG A 29 5.300 6.879 0.367 1.00 0.00 C ATOM 348 C ARG A 29 5.079 8.388 0.336 1.00 0.00 C ATOM 349 O ARG A 29 5.984 9.151 -0.003 1.00 0.00 O ATOM 350 CB ARG A 29 6.038 6.497 1.651 1.00 0.00 C ATOM 351 CG ARG A 29 7.405 7.148 1.781 1.00 0.00 C ATOM 352 CD ARG A 29 8.083 6.772 3.089 1.00 0.00 C ATOM 353 NE ARG A 29 9.429 7.332 3.185 1.00 0.00 N ATOM 354 CZ ARG A 29 10.239 7.137 4.222 1.00 0.00 C ATOM 355 NH1 ARG A 29 9.839 6.406 5.255 1.00 0.00 N ATOM 356 NH2 ARG A 29 11.451 7.674 4.227 1.00 0.00 N ATOM 0 H ARG A 29 6.464 7.219 -1.338 1.00 0.00 H new ATOM 0 HA ARG A 29 4.334 6.375 0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.427 6.778 2.509 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.155 5.414 1.685 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.034 6.844 0.944 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.299 8.231 1.724 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.481 7.128 3.925 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.135 5.686 3.172 1.00 0.00 H new ATOM 0 HE ARG A 29 9.767 7.906 2.412 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.907 5.991 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.463 6.259 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.763 8.237 3.436 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.072 7.524 5.022 1.00 0.00 H new ATOM 370 N ARG A 30 3.873 8.814 0.689 1.00 0.00 N ATOM 371 CA ARG A 30 3.540 10.237 0.702 1.00 0.00 C ATOM 372 C ARG A 30 2.392 10.523 1.664 1.00 0.00 C ATOM 373 O ARG A 30 1.379 9.826 1.659 1.00 0.00 O ATOM 374 CB ARG A 30 3.177 10.716 -0.704 1.00 0.00 C ATOM 375 CG ARG A 30 2.022 9.952 -1.331 1.00 0.00 C ATOM 376 CD ARG A 30 1.653 10.521 -2.691 1.00 0.00 C ATOM 377 NE ARG A 30 1.201 11.907 -2.600 1.00 0.00 N ATOM 378 CZ ARG A 30 0.812 12.629 -3.648 1.00 0.00 C ATOM 379 NH1 ARG A 30 0.828 12.102 -4.866 1.00 0.00 N ATOM 380 NH2 ARG A 30 0.406 13.881 -3.478 1.00 0.00 N ATOM 0 H ARG A 30 3.110 8.198 0.970 1.00 0.00 H new ATOM 0 HA ARG A 30 4.419 10.782 1.045 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.921 11.775 -0.663 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.053 10.625 -1.347 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.293 8.902 -1.436 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.156 9.993 -0.671 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.516 10.464 -3.354 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.867 9.912 -3.138 1.00 0.00 H new ATOM 0 HE ARG A 30 1.182 12.347 -1.680 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.139 11.140 -5.001 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.529 12.659 -5.667 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.392 14.290 -2.544 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.108 14.434 -4.282 1.00 0.00 H new ATOM 394 N VAL A 31 2.552 11.552 2.485 1.00 0.00 N ATOM 395 CA VAL A 31 1.522 11.924 3.446 1.00 0.00 C ATOM 396 C VAL A 31 0.464 12.824 2.815 1.00 0.00 C ATOM 397 O VAL A 31 0.783 13.837 2.192 1.00 0.00 O ATOM 398 CB VAL A 31 2.121 12.638 4.672 1.00 0.00 C ATOM 399 CG1 VAL A 31 1.021 13.201 5.556 1.00 0.00 C ATOM 400 CG2 VAL A 31 2.998 11.685 5.463 1.00 0.00 C ATOM 0 H VAL A 31 3.383 12.143 2.505 1.00 0.00 H new ATOM 0 HA VAL A 31 1.053 10.994 3.769 1.00 0.00 H new ATOM 0 HB VAL A 31 2.736 13.466 4.319 1.00 0.00 H new ATOM 0 HG11 VAL A 31 1.466 13.701 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 31 0.427 13.917 4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 31 0.379 12.390 5.900 1.00 0.00 H new ATOM 0 HG21 VAL A 31 3.414 12.205 6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.401 10.838 5.802 1.00 0.00 H new ATOM 0 HG23 VAL A 31 3.810 11.327 4.830 1.00 0.00 H new ATOM 410 N VAL A 32 -0.797 12.457 3.011 1.00 0.00 N ATOM 411 CA VAL A 32 -1.914 13.233 2.497 1.00 0.00 C ATOM 412 C VAL A 32 -2.340 14.269 3.536 1.00 0.00 C ATOM 413 O VAL A 32 -1.513 15.051 4.006 1.00 0.00 O ATOM 414 CB VAL A 32 -3.104 12.323 2.121 1.00 0.00 C ATOM 415 CG1 VAL A 32 -2.779 11.511 0.877 1.00 0.00 C ATOM 416 CG2 VAL A 32 -3.464 11.400 3.279 1.00 0.00 C ATOM 0 H VAL A 32 -1.070 11.620 3.526 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.591 13.744 1.590 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.965 12.957 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -3.628 10.875 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.572 12.185 0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.904 10.890 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -4.305 10.768 2.993 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -2.606 10.774 3.525 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.739 11.997 4.148 1.00 0.00 H new ATOM 426 N LYS A 33 -3.616 14.261 3.915 1.00 0.00 N ATOM 427 CA LYS A 33 -4.116 15.185 4.923 1.00 0.00 C ATOM 428 C LYS A 33 -3.273 15.079 6.191 1.00 0.00 C ATOM 429 O LYS A 33 -3.202 16.014 6.988 1.00 0.00 O ATOM 430 CB LYS A 33 -5.579 14.874 5.241 1.00 0.00 C ATOM 431 CG LYS A 33 -5.815 13.431 5.674 1.00 0.00 C ATOM 432 CD LYS A 33 -7.272 13.180 6.029 1.00 0.00 C ATOM 433 CE LYS A 33 -8.193 13.418 4.841 1.00 0.00 C ATOM 434 NZ LYS A 33 -9.621 13.186 5.191 1.00 0.00 N ATOM 0 H LYS A 33 -4.319 13.625 3.539 1.00 0.00 H new ATOM 0 HA LYS A 33 -4.048 16.201 4.535 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.921 15.542 6.031 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -6.186 15.085 4.361 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.515 12.757 4.872 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.186 13.202 6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.389 12.155 6.380 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.563 13.833 6.851 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.068 14.440 4.484 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.908 12.757 4.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.216 13.358 4.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.746 12.203 5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.901 13.834 5.955 1.00 0.00 H new ATOM 448 N GLY A 34 -2.641 13.921 6.364 1.00 0.00 N ATOM 449 CA GLY A 34 -1.810 13.679 7.525 1.00 0.00 C ATOM 450 C GLY A 34 -1.340 12.240 7.580 1.00 0.00 C ATOM 451 O GLY A 34 -0.302 11.933 8.165 1.00 0.00 O ATOM 0 H GLY A 34 -2.693 13.139 5.711 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.947 14.344 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.370 13.915 8.430 1.00 0.00 H new ATOM 455 N LYS A 35 -2.123 11.358 6.965 1.00 0.00 N ATOM 456 CA LYS A 35 -1.816 9.938 6.929 1.00 0.00 C ATOM 457 C LYS A 35 -0.845 9.608 5.805 1.00 0.00 C ATOM 458 O LYS A 35 -0.959 10.134 4.699 1.00 0.00 O ATOM 459 CB LYS A 35 -3.104 9.147 6.749 1.00 0.00 C ATOM 460 CG LYS A 35 -4.073 9.309 7.903 1.00 0.00 C ATOM 461 CD LYS A 35 -5.401 8.643 7.601 1.00 0.00 C ATOM 462 CE LYS A 35 -6.314 8.657 8.813 1.00 0.00 C ATOM 463 NZ LYS A 35 -7.602 7.959 8.546 1.00 0.00 N ATOM 0 H LYS A 35 -2.984 11.610 6.480 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.341 9.666 7.872 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -3.591 9.464 5.827 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -2.861 8.091 6.634 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.643 8.876 8.806 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -4.232 10.369 8.102 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -5.887 9.156 6.771 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -5.230 7.614 7.284 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -5.810 8.179 9.653 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -6.514 9.688 9.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -8.197 7.991 9.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.096 8.430 7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.414 6.968 8.292 1.00 0.00 H new ATOM 477 N VAL A 36 0.104 8.728 6.092 1.00 0.00 N ATOM 478 CA VAL A 36 1.091 8.323 5.097 1.00 0.00 C ATOM 479 C VAL A 36 0.561 7.176 4.240 1.00 0.00 C ATOM 480 O VAL A 36 0.009 6.208 4.757 1.00 0.00 O ATOM 481 CB VAL A 36 2.418 7.892 5.756 1.00 0.00 C ATOM 482 CG1 VAL A 36 2.224 6.649 6.608 1.00 0.00 C ATOM 483 CG2 VAL A 36 3.490 7.667 4.700 1.00 0.00 C ATOM 0 H VAL A 36 0.213 8.281 7.002 1.00 0.00 H new ATOM 0 HA VAL A 36 1.280 9.191 4.465 1.00 0.00 H new ATOM 0 HB VAL A 36 2.750 8.696 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 36 3.174 6.366 7.061 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.495 6.855 7.392 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.863 5.832 5.983 1.00 0.00 H new ATOM 0 HG21 VAL A 36 4.419 7.364 5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.166 6.885 4.013 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.654 8.591 4.146 1.00 0.00 H new ATOM 493 N GLU A 37 0.736 7.289 2.927 1.00 0.00 N ATOM 494 CA GLU A 37 0.276 6.252 2.007 1.00 0.00 C ATOM 495 C GLU A 37 1.430 5.734 1.155 1.00 0.00 C ATOM 496 O GLU A 37 2.164 6.511 0.545 1.00 0.00 O ATOM 497 CB GLU A 37 -0.846 6.787 1.113 1.00 0.00 C ATOM 498 CG GLU A 37 -0.432 7.963 0.249 1.00 0.00 C ATOM 499 CD GLU A 37 -1.584 8.530 -0.560 1.00 0.00 C ATOM 500 OE1 GLU A 37 -2.713 8.008 -0.435 1.00 0.00 O ATOM 501 OE2 GLU A 37 -1.357 9.497 -1.317 1.00 0.00 O ATOM 0 H GLU A 37 1.190 8.084 2.477 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.114 5.423 2.597 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.200 5.982 0.469 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.686 7.087 1.740 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.019 8.747 0.884 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.362 7.649 -0.428 1.00 0.00 H new ATOM 508 N TYR A 38 1.583 4.415 1.124 1.00 0.00 N ATOM 509 CA TYR A 38 2.644 3.781 0.348 1.00 0.00 C ATOM 510 C TYR A 38 2.106 3.199 -0.947 1.00 0.00 C ATOM 511 O TYR A 38 1.195 2.372 -0.937 1.00 0.00 O ATOM 512 CB TYR A 38 3.332 2.686 1.166 1.00 0.00 C ATOM 513 CG TYR A 38 4.231 3.225 2.254 1.00 0.00 C ATOM 514 CD1 TYR A 38 3.718 3.995 3.288 1.00 0.00 C ATOM 515 CD2 TYR A 38 5.596 2.967 2.240 1.00 0.00 C ATOM 516 CE1 TYR A 38 4.540 4.493 4.280 1.00 0.00 C ATOM 517 CE2 TYR A 38 6.425 3.462 3.228 1.00 0.00 C ATOM 518 CZ TYR A 38 5.893 4.225 4.246 1.00 0.00 C ATOM 519 OH TYR A 38 6.715 4.719 5.231 1.00 0.00 O ATOM 0 H TYR A 38 0.984 3.762 1.629 1.00 0.00 H new ATOM 0 HA TYR A 38 3.375 4.550 0.101 1.00 0.00 H new ATOM 0 HB2 TYR A 38 2.572 2.047 1.616 1.00 0.00 H new ATOM 0 HB3 TYR A 38 3.920 2.058 0.497 1.00 0.00 H new ATOM 0 HD1 TYR A 38 2.660 4.208 3.318 1.00 0.00 H new ATOM 0 HD2 TYR A 38 6.016 2.370 1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 38 4.125 5.090 5.079 1.00 0.00 H new ATOM 0 HE2 TYR A 38 7.484 3.253 3.203 1.00 0.00 H new ATOM 0 HH TYR A 38 7.638 4.438 5.059 1.00 0.00 H new ATOM 529 N LEU A 39 2.689 3.628 -2.062 1.00 0.00 N ATOM 530 CA LEU A 39 2.282 3.137 -3.366 1.00 0.00 C ATOM 531 C LEU A 39 2.436 1.625 -3.395 1.00 0.00 C ATOM 532 O LEU A 39 3.313 1.088 -2.729 1.00 0.00 O ATOM 533 CB LEU A 39 3.118 3.796 -4.467 1.00 0.00 C ATOM 534 CG LEU A 39 2.665 3.500 -5.897 1.00 0.00 C ATOM 535 CD1 LEU A 39 1.171 3.711 -6.026 1.00 0.00 C ATOM 536 CD2 LEU A 39 3.410 4.385 -6.883 1.00 0.00 C ATOM 0 H LEU A 39 3.444 4.314 -2.085 1.00 0.00 H new ATOM 0 HA LEU A 39 1.238 3.392 -3.547 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.103 4.875 -4.315 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.153 3.473 -4.357 1.00 0.00 H new ATOM 0 HG LEU A 39 2.893 2.459 -6.126 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.860 3.497 -7.049 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.649 3.043 -5.341 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.927 4.745 -5.781 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.076 4.162 -7.896 1.00 0.00 H new ATOM 0 HD22 LEU A 39 3.208 5.432 -6.657 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.481 4.197 -6.804 1.00 0.00 H new ATOM 548 N LEU A 40 1.571 0.933 -4.125 1.00 0.00 N ATOM 549 CA LEU A 40 1.636 -0.523 -4.163 1.00 0.00 C ATOM 550 C LEU A 40 1.215 -1.091 -5.512 1.00 0.00 C ATOM 551 O LEU A 40 0.144 -0.773 -6.026 1.00 0.00 O ATOM 552 CB LEU A 40 0.750 -1.103 -3.056 1.00 0.00 C ATOM 553 CG LEU A 40 1.234 -0.810 -1.636 1.00 0.00 C ATOM 554 CD1 LEU A 40 0.216 -1.243 -0.602 1.00 0.00 C ATOM 555 CD2 LEU A 40 2.543 -1.512 -1.376 1.00 0.00 C ATOM 0 H LEU A 40 0.829 1.346 -4.689 1.00 0.00 H new ATOM 0 HA LEU A 40 2.676 -0.809 -4.005 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.259 -0.707 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.686 -2.183 -3.188 1.00 0.00 H new ATOM 0 HG LEU A 40 1.372 0.268 -1.552 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.593 -1.020 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.719 -0.707 -0.765 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.040 -2.315 -0.692 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.877 -1.295 -0.361 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.408 -2.587 -1.492 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.291 -1.161 -2.087 1.00 0.00 H new ATOM 567 N LYS A 41 2.061 -1.958 -6.066 1.00 0.00 N ATOM 568 CA LYS A 41 1.768 -2.599 -7.340 1.00 0.00 C ATOM 569 C LYS A 41 0.906 -3.833 -7.103 1.00 0.00 C ATOM 570 O LYS A 41 1.395 -4.862 -6.637 1.00 0.00 O ATOM 571 CB LYS A 41 3.062 -2.982 -8.065 1.00 0.00 C ATOM 572 CG LYS A 41 2.836 -3.681 -9.398 1.00 0.00 C ATOM 573 CD LYS A 41 2.101 -2.789 -10.388 1.00 0.00 C ATOM 574 CE LYS A 41 2.914 -1.553 -10.741 1.00 0.00 C ATOM 575 NZ LYS A 41 4.212 -1.907 -11.378 1.00 0.00 N ATOM 0 H LYS A 41 2.952 -2.230 -5.651 1.00 0.00 H new ATOM 0 HA LYS A 41 1.224 -1.897 -7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.653 -2.082 -8.233 1.00 0.00 H new ATOM 0 HB3 LYS A 41 3.650 -3.634 -7.419 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.796 -3.978 -9.820 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.263 -4.594 -9.237 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.884 -3.353 -11.295 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.144 -2.486 -9.964 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.338 -0.920 -11.417 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.099 -0.970 -9.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 4.627 -1.059 -11.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 4.863 -2.279 -10.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 4.054 -2.631 -12.108 1.00 0.00 H new ATOM 589 N TRP A 42 -0.382 -3.713 -7.398 1.00 0.00 N ATOM 590 CA TRP A 42 -1.319 -4.808 -7.187 1.00 0.00 C ATOM 591 C TRP A 42 -1.290 -5.812 -8.334 1.00 0.00 C ATOM 592 O TRP A 42 -1.371 -5.442 -9.506 1.00 0.00 O ATOM 593 CB TRP A 42 -2.725 -4.243 -6.977 1.00 0.00 C ATOM 594 CG TRP A 42 -2.749 -3.203 -5.900 1.00 0.00 C ATOM 595 CD1 TRP A 42 -2.812 -1.846 -6.057 1.00 0.00 C ATOM 596 CD2 TRP A 42 -2.656 -3.440 -4.493 1.00 0.00 C ATOM 597 NE1 TRP A 42 -2.770 -1.229 -4.830 1.00 0.00 N ATOM 598 CE2 TRP A 42 -2.674 -2.187 -3.854 1.00 0.00 C ATOM 599 CE3 TRP A 42 -2.565 -4.593 -3.710 1.00 0.00 C ATOM 600 CZ2 TRP A 42 -2.597 -2.059 -2.470 1.00 0.00 C ATOM 601 CZ3 TRP A 42 -2.492 -4.462 -2.339 1.00 0.00 C ATOM 602 CH2 TRP A 42 -2.507 -3.202 -1.732 1.00 0.00 C ATOM 0 H TRP A 42 -0.802 -2.867 -7.784 1.00 0.00 H new ATOM 0 HA TRP A 42 -1.017 -5.353 -6.292 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -3.086 -3.809 -7.910 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -3.407 -5.052 -6.717 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -2.884 -1.335 -7.006 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.805 -0.222 -4.671 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -2.552 -5.570 -4.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.608 -1.088 -1.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -2.422 -5.347 -1.724 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -2.446 -3.133 -0.656 1.00 0.00 H new ATOM 613 N LYS A 43 -1.167 -7.089 -7.977 1.00 0.00 N ATOM 614 CA LYS A 43 -1.117 -8.170 -8.957 1.00 0.00 C ATOM 615 C LYS A 43 -2.434 -8.289 -9.718 1.00 0.00 C ATOM 616 O LYS A 43 -3.506 -8.042 -9.165 1.00 0.00 O ATOM 617 CB LYS A 43 -0.794 -9.497 -8.269 1.00 0.00 C ATOM 618 CG LYS A 43 0.527 -9.492 -7.515 1.00 0.00 C ATOM 619 CD LYS A 43 0.892 -10.876 -6.991 1.00 0.00 C ATOM 620 CE LYS A 43 -0.092 -11.374 -5.940 1.00 0.00 C ATOM 621 NZ LYS A 43 -1.433 -11.677 -6.517 1.00 0.00 N ATOM 0 H LYS A 43 -1.100 -7.401 -7.008 1.00 0.00 H new ATOM 0 HA LYS A 43 -0.329 -7.934 -9.672 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.598 -9.740 -7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -0.771 -10.288 -9.019 1.00 0.00 H new ATOM 0 HG2 LYS A 43 1.318 -9.133 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.465 -8.793 -6.681 1.00 0.00 H new ATOM 0 HD2 LYS A 43 0.920 -11.581 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 43 1.894 -10.847 -6.563 1.00 0.00 H new ATOM 0 HE2 LYS A 43 0.308 -12.271 -5.467 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.197 -10.621 -5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -1.810 -12.543 -6.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -2.080 -10.885 -6.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.346 -11.815 -7.544 1.00 0.00 H new ATOM 635 N GLY A 44 -2.340 -8.673 -10.988 1.00 0.00 N ATOM 636 CA GLY A 44 -3.523 -8.822 -11.816 1.00 0.00 C ATOM 637 C GLY A 44 -4.029 -7.494 -12.338 1.00 0.00 C ATOM 638 O GLY A 44 -4.260 -7.339 -13.538 1.00 0.00 O ATOM 0 H GLY A 44 -1.461 -8.884 -11.460 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.295 -9.478 -12.657 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.310 -9.306 -11.238 1.00 0.00 H new ATOM 642 N PHE A 45 -4.190 -6.530 -11.439 1.00 0.00 N ATOM 643 CA PHE A 45 -4.658 -5.204 -11.817 1.00 0.00 C ATOM 644 C PHE A 45 -3.595 -4.486 -12.639 1.00 0.00 C ATOM 645 O PHE A 45 -2.403 -4.591 -12.348 1.00 0.00 O ATOM 646 CB PHE A 45 -5.006 -4.374 -10.575 1.00 0.00 C ATOM 647 CG PHE A 45 -6.137 -4.933 -9.755 1.00 0.00 C ATOM 648 CD1 PHE A 45 -6.069 -6.214 -9.227 1.00 0.00 C ATOM 649 CD2 PHE A 45 -7.268 -4.171 -9.505 1.00 0.00 C ATOM 650 CE1 PHE A 45 -7.106 -6.724 -8.470 1.00 0.00 C ATOM 651 CE2 PHE A 45 -8.308 -4.677 -8.747 1.00 0.00 C ATOM 652 CZ PHE A 45 -8.226 -5.954 -8.229 1.00 0.00 C ATOM 0 H PHE A 45 -4.003 -6.643 -10.443 1.00 0.00 H new ATOM 0 HA PHE A 45 -5.559 -5.320 -12.420 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.120 -4.295 -9.945 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -5.265 -3.363 -10.889 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.194 -6.820 -9.410 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.338 -3.171 -9.907 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -7.040 -7.724 -8.067 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -9.184 -4.073 -8.560 1.00 0.00 H new ATOM 0 HZ PHE A 45 -9.037 -6.350 -7.636 1.00 0.00 H new ATOM 662 N SER A 46 -4.030 -3.761 -13.666 1.00 0.00 N ATOM 663 CA SER A 46 -3.107 -3.029 -14.526 1.00 0.00 C ATOM 664 C SER A 46 -2.142 -2.196 -13.691 1.00 0.00 C ATOM 665 O SER A 46 -2.539 -1.579 -12.702 1.00 0.00 O ATOM 666 CB SER A 46 -3.880 -2.126 -15.489 1.00 0.00 C ATOM 667 OG SER A 46 -4.743 -2.885 -16.318 1.00 0.00 O ATOM 0 H SER A 46 -5.013 -3.665 -13.922 1.00 0.00 H new ATOM 0 HA SER A 46 -2.532 -3.752 -15.105 1.00 0.00 H new ATOM 0 HB2 SER A 46 -4.462 -1.399 -14.923 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.180 -1.563 -16.106 1.00 0.00 H new ATOM 0 HG SER A 46 -5.227 -2.285 -16.923 1.00 0.00 H new ATOM 673 N ASP A 47 -0.873 -2.192 -14.087 1.00 0.00 N ATOM 674 CA ASP A 47 0.149 -1.444 -13.365 1.00 0.00 C ATOM 675 C ASP A 47 -0.257 0.019 -13.199 1.00 0.00 C ATOM 676 O ASP A 47 -0.052 0.606 -12.138 1.00 0.00 O ATOM 677 CB ASP A 47 1.500 -1.553 -14.078 1.00 0.00 C ATOM 678 CG ASP A 47 1.446 -1.087 -15.519 1.00 0.00 C ATOM 679 OD1 ASP A 47 0.632 -1.636 -16.291 1.00 0.00 O ATOM 680 OD2 ASP A 47 2.226 -0.180 -15.875 1.00 0.00 O ATOM 0 H ASP A 47 -0.529 -2.698 -14.903 1.00 0.00 H new ATOM 0 HA ASP A 47 0.248 -1.880 -12.371 1.00 0.00 H new ATOM 0 HB2 ASP A 47 2.239 -0.961 -13.538 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.838 -2.589 -14.049 1.00 0.00 H new ATOM 685 N GLU A 48 -0.849 0.597 -14.240 1.00 0.00 N ATOM 686 CA GLU A 48 -1.298 1.983 -14.187 1.00 0.00 C ATOM 687 C GLU A 48 -2.269 2.196 -13.031 1.00 0.00 C ATOM 688 O GLU A 48 -2.325 3.277 -12.444 1.00 0.00 O ATOM 689 CB GLU A 48 -1.973 2.380 -15.501 1.00 0.00 C ATOM 690 CG GLU A 48 -1.004 2.747 -16.614 1.00 0.00 C ATOM 691 CD GLU A 48 -0.064 1.618 -16.977 1.00 0.00 C ATOM 692 OE1 GLU A 48 -0.556 0.520 -17.315 1.00 0.00 O ATOM 693 OE2 GLU A 48 1.164 1.835 -16.936 1.00 0.00 O ATOM 0 H GLU A 48 -1.028 0.128 -15.128 1.00 0.00 H new ATOM 0 HA GLU A 48 -0.421 2.611 -14.031 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -2.600 1.555 -15.838 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.633 3.227 -15.316 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.570 3.040 -17.499 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.420 3.615 -16.308 1.00 0.00 H new ATOM 700 N ASP A 49 -3.047 1.162 -12.725 1.00 0.00 N ATOM 701 CA ASP A 49 -4.036 1.227 -11.657 1.00 0.00 C ATOM 702 C ASP A 49 -3.404 1.164 -10.264 1.00 0.00 C ATOM 703 O ASP A 49 -3.974 0.567 -9.349 1.00 0.00 O ATOM 704 CB ASP A 49 -5.043 0.089 -11.816 1.00 0.00 C ATOM 705 CG ASP A 49 -5.905 0.247 -13.053 1.00 0.00 C ATOM 706 OD1 ASP A 49 -5.344 0.286 -14.169 1.00 0.00 O ATOM 707 OD2 ASP A 49 -7.143 0.331 -12.907 1.00 0.00 O ATOM 0 H ASP A 49 -3.010 0.263 -13.206 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.538 2.191 -11.742 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.509 -0.860 -11.868 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.682 0.048 -10.934 1.00 0.00 H new ATOM 712 N ASN A 50 -2.245 1.795 -10.090 1.00 0.00 N ATOM 713 CA ASN A 50 -1.587 1.810 -8.788 1.00 0.00 C ATOM 714 C ASN A 50 -2.405 2.627 -7.792 1.00 0.00 C ATOM 715 O ASN A 50 -3.009 3.637 -8.156 1.00 0.00 O ATOM 716 CB ASN A 50 -0.169 2.374 -8.892 1.00 0.00 C ATOM 717 CG ASN A 50 0.818 1.372 -9.460 1.00 0.00 C ATOM 718 OD1 ASN A 50 0.928 0.247 -8.972 1.00 0.00 O ATOM 719 ND2 ASN A 50 1.558 1.778 -10.485 1.00 0.00 N ATOM 0 H ASN A 50 -1.748 2.297 -10.826 1.00 0.00 H new ATOM 0 HA ASN A 50 -1.518 0.781 -8.434 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.181 3.263 -9.522 1.00 0.00 H new ATOM 0 HB3 ASN A 50 0.166 2.688 -7.904 1.00 0.00 H new ATOM 0 HD21 ASN A 50 2.248 1.149 -10.897 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.437 2.718 -10.861 1.00 0.00 H new ATOM 726 N THR A 51 -2.435 2.182 -6.539 1.00 0.00 N ATOM 727 CA THR A 51 -3.198 2.876 -5.508 1.00 0.00 C ATOM 728 C THR A 51 -2.460 2.888 -4.172 1.00 0.00 C ATOM 729 O THR A 51 -2.084 1.839 -3.648 1.00 0.00 O ATOM 730 CB THR A 51 -4.580 2.223 -5.315 1.00 0.00 C ATOM 731 OG1 THR A 51 -5.325 2.280 -6.538 1.00 0.00 O ATOM 732 CG2 THR A 51 -5.364 2.912 -4.209 1.00 0.00 C ATOM 0 H THR A 51 -1.943 1.349 -6.215 1.00 0.00 H new ATOM 0 HA THR A 51 -3.324 3.904 -5.847 1.00 0.00 H new ATOM 0 HB THR A 51 -4.423 1.183 -5.030 1.00 0.00 H new ATOM 0 HG1 THR A 51 -6.201 1.861 -6.407 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.335 2.429 -4.096 1.00 0.00 H new ATOM 0 HG22 THR A 51 -4.812 2.840 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.508 3.962 -4.465 1.00 0.00 H new ATOM 740 N TRP A 52 -2.266 4.087 -3.626 1.00 0.00 N ATOM 741 CA TRP A 52 -1.585 4.255 -2.353 1.00 0.00 C ATOM 742 C TRP A 52 -2.542 3.972 -1.200 1.00 0.00 C ATOM 743 O TRP A 52 -3.741 4.226 -1.307 1.00 0.00 O ATOM 744 CB TRP A 52 -1.031 5.674 -2.230 1.00 0.00 C ATOM 745 CG TRP A 52 -0.235 6.121 -3.422 1.00 0.00 C ATOM 746 CD1 TRP A 52 -0.667 6.233 -4.715 1.00 0.00 C ATOM 747 CD2 TRP A 52 1.138 6.514 -3.427 1.00 0.00 C ATOM 748 NE1 TRP A 52 0.359 6.666 -5.519 1.00 0.00 N ATOM 749 CE2 TRP A 52 1.477 6.851 -4.750 1.00 0.00 C ATOM 750 CE3 TRP A 52 2.112 6.613 -2.438 1.00 0.00 C ATOM 751 CZ2 TRP A 52 2.752 7.280 -5.105 1.00 0.00 C ATOM 752 CZ3 TRP A 52 3.376 7.038 -2.788 1.00 0.00 C ATOM 753 CH2 TRP A 52 3.688 7.368 -4.112 1.00 0.00 C ATOM 0 H TRP A 52 -2.575 4.960 -4.053 1.00 0.00 H new ATOM 0 HA TRP A 52 -0.757 3.547 -2.309 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -1.860 6.365 -2.079 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.401 5.732 -1.342 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -1.669 6.013 -5.054 1.00 0.00 H new ATOM 0 HE1 TRP A 52 0.298 6.824 -6.525 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.882 6.361 -1.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.993 7.534 -6.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 4.139 7.118 -2.027 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.687 7.699 -4.354 1.00 0.00 H new ATOM 764 N GLU A 53 -2.014 3.445 -0.101 1.00 0.00 N ATOM 765 CA GLU A 53 -2.836 3.129 1.064 1.00 0.00 C ATOM 766 C GLU A 53 -2.088 3.426 2.363 1.00 0.00 C ATOM 767 O GLU A 53 -0.876 3.226 2.447 1.00 0.00 O ATOM 768 CB GLU A 53 -3.258 1.659 1.031 1.00 0.00 C ATOM 769 CG GLU A 53 -4.174 1.307 -0.131 1.00 0.00 C ATOM 770 CD GLU A 53 -5.496 2.045 -0.072 1.00 0.00 C ATOM 771 OE1 GLU A 53 -6.180 1.948 0.967 1.00 0.00 O ATOM 772 OE2 GLU A 53 -5.849 2.713 -1.066 1.00 0.00 O ATOM 0 H GLU A 53 -1.024 3.228 0.009 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.725 3.759 1.029 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.365 1.036 0.979 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.763 1.415 1.966 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.672 1.542 -1.069 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -4.361 0.233 -0.130 1.00 0.00 H new ATOM 779 N PRO A 54 -2.806 3.906 3.401 1.00 0.00 N ATOM 780 CA PRO A 54 -2.202 4.223 4.699 1.00 0.00 C ATOM 781 C PRO A 54 -1.405 3.049 5.254 1.00 0.00 C ATOM 782 O PRO A 54 -1.879 1.913 5.257 1.00 0.00 O ATOM 783 CB PRO A 54 -3.400 4.541 5.606 1.00 0.00 C ATOM 784 CG PRO A 54 -4.608 4.093 4.852 1.00 0.00 C ATOM 785 CD PRO A 54 -4.252 4.168 3.397 1.00 0.00 C ATOM 0 HA PRO A 54 -1.494 5.048 4.625 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -3.318 4.020 6.560 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.450 5.607 5.829 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.886 3.077 5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -5.464 4.730 5.076 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -4.795 3.428 2.809 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -4.485 5.145 2.974 1.00 0.00 H new ATOM 793 N GLU A 55 -0.185 3.328 5.706 1.00 0.00 N ATOM 794 CA GLU A 55 0.689 2.294 6.243 1.00 0.00 C ATOM 795 C GLU A 55 0.014 1.533 7.384 1.00 0.00 C ATOM 796 O GLU A 55 0.236 0.333 7.551 1.00 0.00 O ATOM 797 CB GLU A 55 2.011 2.905 6.722 1.00 0.00 C ATOM 798 CG GLU A 55 1.930 3.559 8.092 1.00 0.00 C ATOM 799 CD GLU A 55 3.282 4.018 8.603 1.00 0.00 C ATOM 800 OE1 GLU A 55 4.196 3.173 8.702 1.00 0.00 O ATOM 801 OE2 GLU A 55 3.426 5.219 8.910 1.00 0.00 O ATOM 0 H GLU A 55 0.220 4.264 5.710 1.00 0.00 H new ATOM 0 HA GLU A 55 0.897 1.585 5.442 1.00 0.00 H new ATOM 0 HB2 GLU A 55 2.772 2.125 6.748 1.00 0.00 H new ATOM 0 HB3 GLU A 55 2.341 3.648 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.256 4.414 8.042 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.498 2.853 8.802 1.00 0.00 H new ATOM 808 N GLU A 56 -0.802 2.234 8.170 1.00 0.00 N ATOM 809 CA GLU A 56 -1.499 1.613 9.295 1.00 0.00 C ATOM 810 C GLU A 56 -2.266 0.370 8.851 1.00 0.00 C ATOM 811 O GLU A 56 -2.125 -0.700 9.443 1.00 0.00 O ATOM 812 CB GLU A 56 -2.466 2.606 9.949 1.00 0.00 C ATOM 813 CG GLU A 56 -1.786 3.738 10.706 1.00 0.00 C ATOM 814 CD GLU A 56 -0.986 4.657 9.805 1.00 0.00 C ATOM 815 OE1 GLU A 56 -1.566 5.194 8.838 1.00 0.00 O ATOM 816 OE2 GLU A 56 0.217 4.850 10.075 1.00 0.00 O ATOM 0 H GLU A 56 -0.996 3.228 8.049 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.744 1.316 10.023 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.106 3.034 9.177 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -3.115 2.064 10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.542 4.322 11.232 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.126 3.316 11.463 1.00 0.00 H new ATOM 823 N ASN A 57 -3.081 0.521 7.812 1.00 0.00 N ATOM 824 CA ASN A 57 -3.875 -0.590 7.295 1.00 0.00 C ATOM 825 C ASN A 57 -3.002 -1.632 6.603 1.00 0.00 C ATOM 826 O ASN A 57 -3.298 -2.826 6.655 1.00 0.00 O ATOM 827 CB ASN A 57 -4.943 -0.087 6.318 1.00 0.00 C ATOM 828 CG ASN A 57 -5.977 0.796 6.990 1.00 0.00 C ATOM 829 OD1 ASN A 57 -6.586 0.411 7.988 1.00 0.00 O ATOM 830 ND2 ASN A 57 -6.196 1.978 6.428 1.00 0.00 N ATOM 0 H ASN A 57 -3.210 1.400 7.311 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.361 -1.061 8.150 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.462 0.470 5.514 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.442 -0.941 5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.893 2.609 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -5.667 2.255 5.601 1.00 0.00 H new ATOM 837 N LEU A 58 -1.943 -1.177 5.937 1.00 0.00 N ATOM 838 CA LEU A 58 -1.052 -2.084 5.219 1.00 0.00 C ATOM 839 C LEU A 58 -0.584 -3.230 6.106 1.00 0.00 C ATOM 840 O LEU A 58 0.054 -3.015 7.137 1.00 0.00 O ATOM 841 CB LEU A 58 0.170 -1.336 4.674 1.00 0.00 C ATOM 842 CG LEU A 58 -0.130 -0.096 3.828 1.00 0.00 C ATOM 843 CD1 LEU A 58 1.109 0.331 3.058 1.00 0.00 C ATOM 844 CD2 LEU A 58 -1.285 -0.349 2.874 1.00 0.00 C ATOM 0 H LEU A 58 -1.682 -0.193 5.880 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.624 -2.496 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.794 -1.036 5.516 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.758 -2.029 4.073 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.421 0.710 4.502 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.880 1.214 2.461 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.910 0.565 3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.426 -0.479 2.401 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.475 0.549 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.032 -1.173 2.206 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.178 -0.605 3.444 1.00 0.00 H new ATOM 856 N ASP A 59 -0.893 -4.452 5.684 1.00 0.00 N ATOM 857 CA ASP A 59 -0.493 -5.643 6.419 1.00 0.00 C ATOM 858 C ASP A 59 0.741 -6.259 5.770 1.00 0.00 C ATOM 859 O ASP A 59 0.789 -7.461 5.508 1.00 0.00 O ATOM 860 CB ASP A 59 -1.639 -6.656 6.454 1.00 0.00 C ATOM 861 CG ASP A 59 -1.342 -7.836 7.358 1.00 0.00 C ATOM 862 OD1 ASP A 59 -1.125 -7.617 8.568 1.00 0.00 O ATOM 863 OD2 ASP A 59 -1.326 -8.980 6.856 1.00 0.00 O ATOM 0 H ASP A 59 -1.422 -4.642 4.833 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.251 -5.363 7.444 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -2.548 -6.160 6.795 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -1.833 -7.016 5.444 1.00 0.00 H new ATOM 868 N CYS A 60 1.732 -5.418 5.499 1.00 0.00 N ATOM 869 CA CYS A 60 2.964 -5.865 4.861 1.00 0.00 C ATOM 870 C CYS A 60 4.155 -5.009 5.291 1.00 0.00 C ATOM 871 O CYS A 60 4.800 -4.368 4.461 1.00 0.00 O ATOM 872 CB CYS A 60 2.806 -5.818 3.340 1.00 0.00 C ATOM 873 SG CYS A 60 2.407 -4.179 2.690 1.00 0.00 S ATOM 0 H CYS A 60 1.706 -4.421 5.712 1.00 0.00 H new ATOM 0 HA CYS A 60 3.157 -6.891 5.175 1.00 0.00 H new ATOM 0 HB2 CYS A 60 3.731 -6.165 2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.021 -6.515 3.045 1.00 0.00 H new ATOM 0 HG CYS A 60 3.274 -3.315 3.129 1.00 0.00 H new ATOM 879 N PRO A 61 4.470 -4.991 6.601 1.00 0.00 N ATOM 880 CA PRO A 61 5.594 -4.211 7.129 1.00 0.00 C ATOM 881 C PRO A 61 6.903 -4.543 6.421 1.00 0.00 C ATOM 882 O PRO A 61 7.762 -3.679 6.247 1.00 0.00 O ATOM 883 CB PRO A 61 5.663 -4.625 8.601 1.00 0.00 C ATOM 884 CG PRO A 61 4.294 -5.111 8.927 1.00 0.00 C ATOM 885 CD PRO A 61 3.764 -5.730 7.665 1.00 0.00 C ATOM 0 HA PRO A 61 5.450 -3.140 6.985 1.00 0.00 H new ATOM 0 HB2 PRO A 61 6.407 -5.406 8.757 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.945 -3.784 9.235 1.00 0.00 H new ATOM 0 HG2 PRO A 61 4.321 -5.839 9.738 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.657 -4.291 9.257 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.976 -6.798 7.621 1.00 0.00 H new ATOM 0 HD3 PRO A 61 2.683 -5.616 7.584 1.00 0.00 H new ATOM 893 N ASP A 62 7.045 -5.802 6.017 1.00 0.00 N ATOM 894 CA ASP A 62 8.248 -6.258 5.329 1.00 0.00 C ATOM 895 C ASP A 62 8.518 -5.417 4.084 1.00 0.00 C ATOM 896 O ASP A 62 9.657 -5.023 3.831 1.00 0.00 O ATOM 897 CB ASP A 62 8.112 -7.733 4.945 1.00 0.00 C ATOM 898 CG ASP A 62 9.377 -8.294 4.324 1.00 0.00 C ATOM 899 OD1 ASP A 62 9.784 -7.800 3.251 1.00 0.00 O ATOM 900 OD2 ASP A 62 9.961 -9.229 4.910 1.00 0.00 O ATOM 0 H ASP A 62 6.340 -6.526 6.155 1.00 0.00 H new ATOM 0 HA ASP A 62 9.091 -6.143 6.010 1.00 0.00 H new ATOM 0 HB2 ASP A 62 7.859 -8.314 5.832 1.00 0.00 H new ATOM 0 HB3 ASP A 62 7.286 -7.847 4.243 1.00 0.00 H new ATOM 905 N LEU A 63 7.468 -5.136 3.315 1.00 0.00 N ATOM 906 CA LEU A 63 7.604 -4.335 2.107 1.00 0.00 C ATOM 907 C LEU A 63 8.007 -2.914 2.462 1.00 0.00 C ATOM 908 O LEU A 63 8.854 -2.313 1.802 1.00 0.00 O ATOM 909 CB LEU A 63 6.299 -4.332 1.309 1.00 0.00 C ATOM 910 CG LEU A 63 5.938 -5.660 0.638 1.00 0.00 C ATOM 911 CD1 LEU A 63 5.702 -6.749 1.671 1.00 0.00 C ATOM 912 CD2 LEU A 63 4.712 -5.490 -0.239 1.00 0.00 C ATOM 0 H LEU A 63 6.518 -5.451 3.509 1.00 0.00 H new ATOM 0 HA LEU A 63 8.383 -4.778 1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.485 -4.048 1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.364 -3.562 0.541 1.00 0.00 H new ATOM 0 HG LEU A 63 6.779 -5.964 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.447 -7.681 1.166 1.00 0.00 H new ATOM 0 HD12 LEU A 63 6.607 -6.892 2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.882 -6.456 2.327 1.00 0.00 H new ATOM 0 HD21 LEU A 63 4.467 -6.442 -0.710 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.871 -5.160 0.371 1.00 0.00 H new ATOM 0 HD23 LEU A 63 4.916 -4.746 -1.009 1.00 0.00 H new ATOM 924 N ILE A 64 7.401 -2.388 3.522 1.00 0.00 N ATOM 925 CA ILE A 64 7.705 -1.042 3.981 1.00 0.00 C ATOM 926 C ILE A 64 9.195 -0.915 4.262 1.00 0.00 C ATOM 927 O ILE A 64 9.835 0.053 3.855 1.00 0.00 O ATOM 928 CB ILE A 64 6.916 -0.690 5.260 1.00 0.00 C ATOM 929 CG1 ILE A 64 5.414 -0.896 5.041 1.00 0.00 C ATOM 930 CG2 ILE A 64 7.206 0.743 5.686 1.00 0.00 C ATOM 931 CD1 ILE A 64 4.833 -0.057 3.922 1.00 0.00 C ATOM 0 H ILE A 64 6.697 -2.875 4.077 1.00 0.00 H new ATOM 0 HA ILE A 64 7.412 -0.348 3.193 1.00 0.00 H new ATOM 0 HB ILE A 64 7.238 -1.358 6.059 1.00 0.00 H new ATOM 0 HG12 ILE A 64 5.230 -1.948 4.825 1.00 0.00 H new ATOM 0 HG13 ILE A 64 4.887 -0.664 5.967 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.642 0.975 6.589 1.00 0.00 H new ATOM 0 HG22 ILE A 64 8.272 0.855 5.885 1.00 0.00 H new ATOM 0 HG23 ILE A 64 6.912 1.426 4.889 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.766 -0.261 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.983 1.000 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.331 -0.305 2.985 1.00 0.00 H new ATOM 943 N ALA A 65 9.743 -1.913 4.949 1.00 0.00 N ATOM 944 CA ALA A 65 11.161 -1.930 5.273 1.00 0.00 C ATOM 945 C ALA A 65 11.998 -2.003 4.003 1.00 0.00 C ATOM 946 O ALA A 65 12.983 -1.281 3.857 1.00 0.00 O ATOM 947 CB ALA A 65 11.481 -3.102 6.190 1.00 0.00 C ATOM 0 H ALA A 65 9.223 -2.721 5.292 1.00 0.00 H new ATOM 0 HA ALA A 65 11.408 -1.005 5.794 1.00 0.00 H new ATOM 0 HB1 ALA A 65 12.546 -3.101 6.423 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.907 -3.010 7.112 1.00 0.00 H new ATOM 0 HB3 ALA A 65 11.219 -4.036 5.692 1.00 0.00 H new ATOM 953 N GLU A 66 11.589 -2.875 3.081 1.00 0.00 N ATOM 954 CA GLU A 66 12.290 -3.044 1.811 1.00 0.00 C ATOM 955 C GLU A 66 12.495 -1.700 1.125 1.00 0.00 C ATOM 956 O GLU A 66 13.557 -1.430 0.563 1.00 0.00 O ATOM 957 CB GLU A 66 11.509 -3.986 0.888 1.00 0.00 C ATOM 958 CG GLU A 66 11.471 -5.426 1.372 1.00 0.00 C ATOM 959 CD GLU A 66 10.721 -6.340 0.422 1.00 0.00 C ATOM 960 OE1 GLU A 66 10.224 -5.845 -0.612 1.00 0.00 O ATOM 961 OE2 GLU A 66 10.633 -7.552 0.711 1.00 0.00 O ATOM 0 H GLU A 66 10.773 -3.476 3.192 1.00 0.00 H new ATOM 0 HA GLU A 66 13.266 -3.482 2.020 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.488 -3.619 0.789 1.00 0.00 H new ATOM 0 HB3 GLU A 66 11.955 -3.958 -0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 66 12.491 -5.792 1.493 1.00 0.00 H new ATOM 0 HG3 GLU A 66 11.000 -5.463 2.354 1.00 0.00 H new ATOM 968 N PHE A 67 11.468 -0.863 1.179 1.00 0.00 N ATOM 969 CA PHE A 67 11.520 0.458 0.569 1.00 0.00 C ATOM 970 C PHE A 67 12.640 1.304 1.173 1.00 0.00 C ATOM 971 O PHE A 67 13.520 1.783 0.459 1.00 0.00 O ATOM 972 CB PHE A 67 10.173 1.153 0.761 1.00 0.00 C ATOM 973 CG PHE A 67 10.132 2.572 0.280 1.00 0.00 C ATOM 974 CD1 PHE A 67 10.435 2.890 -1.035 1.00 0.00 C ATOM 975 CD2 PHE A 67 9.784 3.588 1.148 1.00 0.00 C ATOM 976 CE1 PHE A 67 10.391 4.200 -1.469 1.00 0.00 C ATOM 977 CE2 PHE A 67 9.739 4.897 0.724 1.00 0.00 C ATOM 978 CZ PHE A 67 10.043 5.208 -0.587 1.00 0.00 C ATOM 0 H PHE A 67 10.585 -1.077 1.642 1.00 0.00 H new ATOM 0 HA PHE A 67 11.729 0.343 -0.495 1.00 0.00 H new ATOM 0 HB2 PHE A 67 9.406 0.583 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 67 9.916 1.134 1.820 1.00 0.00 H new ATOM 0 HD1 PHE A 67 10.708 2.106 -1.726 1.00 0.00 H new ATOM 0 HD2 PHE A 67 9.544 3.352 2.174 1.00 0.00 H new ATOM 0 HE1 PHE A 67 10.628 4.438 -2.496 1.00 0.00 H new ATOM 0 HE2 PHE A 67 9.466 5.680 1.416 1.00 0.00 H new ATOM 0 HZ PHE A 67 10.009 6.234 -0.922 1.00 0.00 H new ATOM 988 N LEU A 68 12.593 1.492 2.488 1.00 0.00 N ATOM 989 CA LEU A 68 13.589 2.285 3.190 1.00 0.00 C ATOM 990 C LEU A 68 14.998 1.713 3.039 1.00 0.00 C ATOM 991 O LEU A 68 15.977 2.453 3.138 1.00 0.00 O ATOM 992 CB LEU A 68 13.209 2.400 4.664 1.00 0.00 C ATOM 993 CG LEU A 68 11.999 3.294 4.948 1.00 0.00 C ATOM 994 CD1 LEU A 68 10.762 2.811 4.210 1.00 0.00 C ATOM 995 CD2 LEU A 68 11.722 3.350 6.434 1.00 0.00 C ATOM 0 H LEU A 68 11.869 1.101 3.091 1.00 0.00 H new ATOM 0 HA LEU A 68 13.603 3.277 2.739 1.00 0.00 H new ATOM 0 HB2 LEU A 68 13.004 1.402 5.051 1.00 0.00 H new ATOM 0 HB3 LEU A 68 14.066 2.786 5.216 1.00 0.00 H new ATOM 0 HG LEU A 68 12.239 4.295 4.588 1.00 0.00 H new ATOM 0 HD11 LEU A 68 9.923 3.470 4.436 1.00 0.00 H new ATOM 0 HD12 LEU A 68 10.952 2.820 3.137 1.00 0.00 H new ATOM 0 HD13 LEU A 68 10.522 1.796 4.527 1.00 0.00 H new ATOM 0 HD21 LEU A 68 10.859 3.989 6.619 1.00 0.00 H new ATOM 0 HD22 LEU A 68 11.516 2.346 6.804 1.00 0.00 H new ATOM 0 HD23 LEU A 68 12.592 3.755 6.951 1.00 0.00 H new ATOM 1007 N GLN A 69 15.103 0.405 2.801 1.00 0.00 N ATOM 1008 CA GLN A 69 16.412 -0.227 2.636 1.00 0.00 C ATOM 1009 C GLN A 69 17.245 0.551 1.624 1.00 0.00 C ATOM 1010 O GLN A 69 18.390 0.913 1.896 1.00 0.00 O ATOM 1011 CB GLN A 69 16.263 -1.683 2.183 1.00 0.00 C ATOM 1012 CG GLN A 69 15.621 -2.589 3.222 1.00 0.00 C ATOM 1013 CD GLN A 69 16.447 -2.712 4.489 1.00 0.00 C ATOM 1014 OE1 GLN A 69 16.693 -1.725 5.183 1.00 0.00 O ATOM 1015 NE2 GLN A 69 16.879 -3.929 4.799 1.00 0.00 N ATOM 0 H GLN A 69 14.309 -0.230 2.719 1.00 0.00 H new ATOM 0 HA GLN A 69 16.920 -0.218 3.601 1.00 0.00 H new ATOM 0 HB2 GLN A 69 15.665 -1.710 1.272 1.00 0.00 H new ATOM 0 HB3 GLN A 69 17.247 -2.077 1.930 1.00 0.00 H new ATOM 0 HG2 GLN A 69 14.634 -2.202 3.474 1.00 0.00 H new ATOM 0 HG3 GLN A 69 15.475 -3.580 2.792 1.00 0.00 H new ATOM 0 HE21 GLN A 69 16.652 -4.720 4.196 1.00 0.00 H new ATOM 0 HE22 GLN A 69 17.438 -4.073 5.640 1.00 0.00 H new ATOM 1024 N SER A 70 16.648 0.835 0.472 1.00 0.00 N ATOM 1025 CA SER A 70 17.322 1.606 -0.563 1.00 0.00 C ATOM 1026 C SER A 70 17.572 3.015 -0.052 1.00 0.00 C ATOM 1027 O SER A 70 18.621 3.611 -0.298 1.00 0.00 O ATOM 1028 CB SER A 70 16.467 1.660 -1.833 1.00 0.00 C ATOM 1029 OG SER A 70 15.186 2.201 -1.562 1.00 0.00 O ATOM 0 H SER A 70 15.700 0.543 0.233 1.00 0.00 H new ATOM 0 HA SER A 70 18.271 1.126 -0.805 1.00 0.00 H new ATOM 0 HB2 SER A 70 16.969 2.266 -2.588 1.00 0.00 H new ATOM 0 HB3 SER A 70 16.362 0.657 -2.247 1.00 0.00 H new ATOM 0 HG SER A 70 14.764 1.695 -0.837 1.00 0.00 H new ATOM 1035 N GLN A 71 16.584 3.528 0.667 1.00 0.00 N ATOM 1036 CA GLN A 71 16.644 4.863 1.243 1.00 0.00 C ATOM 1037 C GLN A 71 17.641 4.905 2.403 1.00 0.00 C ATOM 1038 O GLN A 71 18.837 4.694 2.204 1.00 0.00 O ATOM 1039 CB GLN A 71 15.250 5.274 1.704 1.00 0.00 C ATOM 1040 CG GLN A 71 14.195 5.047 0.640 1.00 0.00 C ATOM 1041 CD GLN A 71 14.291 6.030 -0.509 1.00 0.00 C ATOM 1042 OE1 GLN A 71 15.362 6.244 -1.077 1.00 0.00 O ATOM 1043 NE2 GLN A 71 13.159 6.613 -0.874 1.00 0.00 N ATOM 0 H GLN A 71 15.717 3.029 0.868 1.00 0.00 H new ATOM 0 HA GLN A 71 16.990 5.568 0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 71 14.986 4.710 2.599 1.00 0.00 H new ATOM 0 HB3 GLN A 71 15.259 6.328 1.983 1.00 0.00 H new ATOM 0 HG2 GLN A 71 14.291 4.033 0.252 1.00 0.00 H new ATOM 0 HG3 GLN A 71 13.207 5.123 1.094 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.294 6.406 -0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.152 7.269 -1.655 1.00 0.00 H new ATOM 1270 N GLN B 5 1.702 -11.291 2.085 1.00 0.00 N ATOM 1271 CA GLN B 5 1.401 -9.894 2.372 1.00 0.00 C ATOM 1272 C GLN B 5 0.180 -9.417 1.596 1.00 0.00 C ATOM 1273 O GLN B 5 0.019 -9.729 0.417 1.00 0.00 O ATOM 1274 CB GLN B 5 2.603 -9.006 2.045 1.00 0.00 C ATOM 1275 CG GLN B 5 3.742 -9.114 3.051 1.00 0.00 C ATOM 1276 CD GLN B 5 4.410 -10.476 3.064 1.00 0.00 C ATOM 1277 OE1 GLN B 5 3.804 -11.479 3.439 1.00 0.00 O ATOM 1278 NE2 GLN B 5 5.673 -10.516 2.654 1.00 0.00 N ATOM 0 HA GLN B 5 1.180 -9.819 3.437 1.00 0.00 H new ATOM 0 HB2 GLN B 5 2.978 -9.269 1.056 1.00 0.00 H new ATOM 0 HB3 GLN B 5 2.273 -7.968 1.995 1.00 0.00 H new ATOM 0 HG2 GLN B 5 4.489 -8.354 2.825 1.00 0.00 H new ATOM 0 HG3 GLN B 5 3.358 -8.897 4.048 1.00 0.00 H new ATOM 0 HE21 GLN B 5 6.138 -9.660 2.351 1.00 0.00 H new ATOM 0 HE22 GLN B 5 6.177 -11.402 2.642 1.00 0.00 H new ATOM 1287 N THR B 6 -0.673 -8.654 2.273 1.00 0.00 N ATOM 1288 CA THR B 6 -1.885 -8.124 1.661 1.00 0.00 C ATOM 1289 C THR B 6 -2.291 -6.802 2.298 1.00 0.00 C ATOM 1290 O THR B 6 -2.421 -6.704 3.517 1.00 0.00 O ATOM 1291 CB THR B 6 -3.064 -9.105 1.798 1.00 0.00 C ATOM 1292 OG1 THR B 6 -3.273 -9.427 3.178 1.00 0.00 O ATOM 1293 CG2 THR B 6 -2.819 -10.378 1.008 1.00 0.00 C ATOM 0 H THR B 6 -0.545 -8.389 3.250 1.00 0.00 H new ATOM 0 HA THR B 6 -1.657 -7.973 0.606 1.00 0.00 H new ATOM 0 HB THR B 6 -3.953 -8.620 1.395 1.00 0.00 H new ATOM 0 HG1 THR B 6 -2.942 -8.694 3.739 1.00 0.00 H new ATOM 0 HG21 THR B 6 -3.670 -11.049 1.126 1.00 0.00 H new ATOM 0 HG22 THR B 6 -2.693 -10.133 -0.047 1.00 0.00 H new ATOM 0 HG23 THR B 6 -1.917 -10.867 1.377 1.00 0.00 H new ATOM 1301 N ALA B 7 -2.507 -5.793 1.464 1.00 0.00 N ATOM 1302 CA ALA B 7 -2.919 -4.483 1.946 1.00 0.00 C ATOM 1303 C ALA B 7 -4.300 -4.128 1.394 1.00 0.00 C ATOM 1304 O ALA B 7 -4.519 -4.139 0.183 1.00 0.00 O ATOM 1305 CB ALA B 7 -1.880 -3.431 1.573 1.00 0.00 C ATOM 0 H ALA B 7 -2.404 -5.857 0.451 1.00 0.00 H new ATOM 0 HA ALA B 7 -2.990 -4.508 3.033 1.00 0.00 H new ATOM 0 HB1 ALA B 7 -2.201 -2.456 1.940 1.00 0.00 H new ATOM 0 HB2 ALA B 7 -0.922 -3.690 2.023 1.00 0.00 H new ATOM 0 HB3 ALA B 7 -1.773 -3.393 0.489 1.00 0.00 H new ATOM 1311 N ARG B 8 -5.235 -3.836 2.295 1.00 0.00 N ATOM 1312 CA ARG B 8 -6.607 -3.503 1.909 1.00 0.00 C ATOM 1313 C ARG B 8 -6.683 -2.183 1.145 1.00 0.00 C ATOM 1314 O ARG B 8 -5.951 -1.239 1.438 1.00 0.00 O ATOM 1315 CB ARG B 8 -7.503 -3.437 3.146 1.00 0.00 C ATOM 1316 CG ARG B 8 -7.638 -4.766 3.871 1.00 0.00 C ATOM 1317 CD ARG B 8 -8.409 -4.613 5.171 1.00 0.00 C ATOM 1318 NE ARG B 8 -8.545 -5.882 5.881 1.00 0.00 N ATOM 1319 CZ ARG B 8 -9.126 -6.003 7.070 1.00 0.00 C ATOM 1320 NH1 ARG B 8 -9.614 -4.934 7.685 1.00 0.00 N ATOM 1321 NH2 ARG B 8 -9.218 -7.194 7.648 1.00 0.00 N ATOM 0 H ARG B 8 -5.068 -3.823 3.301 1.00 0.00 H new ATOM 0 HA ARG B 8 -6.957 -4.293 1.244 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -7.101 -2.695 3.836 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.494 -3.092 2.849 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -8.147 -5.483 3.227 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -6.648 -5.171 4.079 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -7.900 -3.892 5.811 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.399 -4.208 4.960 1.00 0.00 H new ATOM 0 HE ARG B 8 -8.173 -6.723 5.439 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -9.544 -4.016 7.245 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -10.059 -5.030 8.598 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -8.842 -8.019 7.180 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -9.664 -7.285 8.561 1.00 0.00 H new