USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 631 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 18 THR OG1 : rot -9:sc= 0.382 USER MOD Single : A 27 THR OG1 : rot 104:sc= 1.23 USER MOD Single : A 28 SER OG : rot 180:sc= -0.656 USER MOD Single : A 29 THR OG1 : rot 105:sc= 1.18 USER MOD Single : A 31 THR OG1 : rot 75:sc= 1.13 USER MOD Single : A 35 HIS : no HD1:sc= -0.984 X(o=-0.98,f=-0.81) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -170:sc= 0.0597 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -3.79 K(o=-3.8,f=-10!) USER MOD Single : A 65 ASN : amide:sc= -3.07 K(o=-3.1,f=-5.6!) USER MOD Single : A 68 THR OG1 : rot -81:sc= 0.0835 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0469 USER MOD Single : A 80 HIS : no HE2:sc= -15.2! C(o=-15!,f=-18!) USER MOD Single : A 82 ASN : amide:sc= -1.88! C(o=-1.9!,f=-1.5!) USER MOD Single : A 84 SER OG : rot -44:sc= -1.01! USER MOD ----------------------------------------------------------------- ATOM 200 N ARG A 14 3.200 11.611 1.552 1.00 0.00 N ATOM 201 CA ARG A 14 2.480 10.461 1.031 1.00 0.00 C ATOM 202 C ARG A 14 2.873 9.197 1.797 1.00 0.00 C ATOM 203 O ARG A 14 2.160 8.195 1.756 1.00 0.00 O ATOM 204 CB ARG A 14 2.771 10.258 -0.458 1.00 0.00 C ATOM 205 CG ARG A 14 1.474 10.202 -1.267 1.00 0.00 C ATOM 206 CD ARG A 14 1.275 8.818 -1.889 1.00 0.00 C ATOM 207 NE ARG A 14 0.048 8.806 -2.715 1.00 0.00 N ATOM 208 CZ ARG A 14 -0.394 7.729 -3.398 1.00 0.00 C ATOM 209 NH1 ARG A 14 0.289 6.565 -3.359 1.00 0.00 N ATOM 210 NH2 ARG A 14 -1.504 7.830 -4.105 1.00 0.00 N ATOM 0 HA ARG A 14 1.414 10.651 1.159 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.397 11.072 -0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 14 3.333 9.335 -0.600 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.628 10.440 -0.622 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.498 10.958 -2.052 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.138 8.558 -2.502 1.00 0.00 H new ATOM 0 HD3 ARG A 14 1.203 8.065 -1.105 1.00 0.00 H new ATOM 0 HE ARG A 14 -0.498 9.665 -2.772 1.00 0.00 H new ATOM 0 HH11 ARG A 14 1.146 6.495 -2.810 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -0.052 5.756 -3.878 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.014 8.713 -4.130 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -1.851 7.025 -4.627 1.00 0.00 H new ATOM 223 N ALA A 15 4.006 9.284 2.478 1.00 0.00 N ATOM 224 CA ALA A 15 4.502 8.159 3.252 1.00 0.00 C ATOM 225 C ALA A 15 3.902 8.210 4.659 1.00 0.00 C ATOM 226 O ALA A 15 4.473 7.662 5.601 1.00 0.00 O ATOM 227 CB ALA A 15 6.032 8.185 3.269 1.00 0.00 C ATOM 0 H ALA A 15 4.595 10.116 2.510 1.00 0.00 H new ATOM 0 HA ALA A 15 4.198 7.216 2.797 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.404 7.341 3.850 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.408 8.117 2.248 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.375 9.116 3.721 1.00 0.00 H new ATOM 233 N GLU A 16 2.760 8.873 4.757 1.00 0.00 N ATOM 234 CA GLU A 16 2.076 9.003 6.033 1.00 0.00 C ATOM 235 C GLU A 16 0.605 8.608 5.890 1.00 0.00 C ATOM 236 O GLU A 16 0.065 7.896 6.735 1.00 0.00 O ATOM 237 CB GLU A 16 2.212 10.423 6.585 1.00 0.00 C ATOM 238 CG GLU A 16 2.709 10.404 8.032 1.00 0.00 C ATOM 239 CD GLU A 16 1.861 11.321 8.916 1.00 0.00 C ATOM 240 OE1 GLU A 16 1.199 10.843 9.849 1.00 0.00 O ATOM 241 OE2 GLU A 16 1.907 12.572 8.605 1.00 0.00 O ATOM 0 H GLU A 16 2.290 9.327 3.973 1.00 0.00 H new ATOM 0 HA GLU A 16 2.545 8.325 6.746 1.00 0.00 H new ATOM 0 HB2 GLU A 16 2.905 10.993 5.966 1.00 0.00 H new ATOM 0 HB3 GLU A 16 1.249 10.930 6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.673 9.386 8.419 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.751 10.722 8.066 1.00 0.00 H new ATOM 249 N ARG A 17 -0.001 9.087 4.814 1.00 0.00 N ATOM 250 CA ARG A 17 -1.399 8.793 4.549 1.00 0.00 C ATOM 251 C ARG A 17 -1.557 7.348 4.073 1.00 0.00 C ATOM 252 O ARG A 17 -2.562 6.701 4.364 1.00 0.00 O ATOM 253 CB ARG A 17 -1.970 9.737 3.489 1.00 0.00 C ATOM 254 CG ARG A 17 -3.358 10.239 3.891 1.00 0.00 C ATOM 255 CD ARG A 17 -4.455 9.462 3.160 1.00 0.00 C ATOM 256 NE ARG A 17 -5.785 9.861 3.672 1.00 0.00 N ATOM 257 CZ ARG A 17 -6.254 9.534 4.895 1.00 0.00 C ATOM 258 NH1 ARG A 17 -5.504 8.798 5.743 1.00 0.00 N ATOM 259 NH2 ARG A 17 -7.458 9.944 5.249 1.00 0.00 N ATOM 0 H ARG A 17 0.451 9.677 4.115 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.949 8.935 5.479 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.298 10.585 3.352 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -2.030 9.220 2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.489 10.134 4.968 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.445 11.301 3.662 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -4.396 9.654 2.089 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -4.309 8.391 3.300 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.385 10.418 3.063 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.575 8.484 5.461 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.866 8.556 6.665 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -8.018 10.499 4.602 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.828 9.706 6.169 1.00 0.00 H new ATOM 272 N THR A 18 -0.549 6.883 3.350 1.00 0.00 N ATOM 273 CA THR A 18 -0.562 5.526 2.831 1.00 0.00 C ATOM 274 C THR A 18 0.006 4.554 3.867 1.00 0.00 C ATOM 275 O THR A 18 -0.621 3.544 4.185 1.00 0.00 O ATOM 276 CB THR A 18 0.202 5.519 1.506 1.00 0.00 C ATOM 277 OG1 THR A 18 -0.626 6.270 0.623 1.00 0.00 O ATOM 278 CG2 THR A 18 0.260 4.128 0.871 1.00 0.00 C ATOM 0 H THR A 18 0.283 7.423 3.111 1.00 0.00 H new ATOM 0 HA THR A 18 -1.579 5.186 2.637 1.00 0.00 H new ATOM 0 HB THR A 18 1.215 5.886 1.670 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.487 6.449 1.055 1.00 0.00 H new ATOM 0 HG21 THR A 18 0.813 4.179 -0.067 1.00 0.00 H new ATOM 0 HG22 THR A 18 0.761 3.438 1.551 1.00 0.00 H new ATOM 0 HG23 THR A 18 -0.753 3.774 0.676 1.00 0.00 H new ATOM 286 N ALA A 19 1.187 4.892 4.363 1.00 0.00 N ATOM 287 CA ALA A 19 1.846 4.061 5.356 1.00 0.00 C ATOM 288 C ALA A 19 0.939 3.918 6.580 1.00 0.00 C ATOM 289 O ALA A 19 1.136 3.025 7.402 1.00 0.00 O ATOM 290 CB ALA A 19 3.207 4.667 5.706 1.00 0.00 C ATOM 0 H ALA A 19 1.704 5.730 4.096 1.00 0.00 H new ATOM 0 HA ALA A 19 2.026 3.061 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.702 4.044 6.451 1.00 0.00 H new ATOM 0 HB2 ALA A 19 3.824 4.719 4.809 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.066 5.670 6.108 1.00 0.00 H new ATOM 296 N GLU A 20 -0.034 4.813 6.662 1.00 0.00 N ATOM 297 CA GLU A 20 -0.972 4.798 7.772 1.00 0.00 C ATOM 298 C GLU A 20 -2.134 3.848 7.472 1.00 0.00 C ATOM 299 O GLU A 20 -2.320 2.851 8.168 1.00 0.00 O ATOM 300 CB GLU A 20 -1.482 6.208 8.078 1.00 0.00 C ATOM 301 CG GLU A 20 -2.653 6.166 9.062 1.00 0.00 C ATOM 302 CD GLU A 20 -2.477 7.208 10.169 1.00 0.00 C ATOM 303 OE1 GLU A 20 -2.117 6.855 11.301 1.00 0.00 O ATOM 304 OE2 GLU A 20 -2.727 8.424 9.817 1.00 0.00 O ATOM 0 H GLU A 20 -0.193 5.553 5.978 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.451 4.435 8.658 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.673 6.809 8.495 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.796 6.694 7.154 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.586 6.350 8.530 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.727 5.172 9.502 1.00 0.00 H new ATOM 312 N LEU A 21 -2.885 4.191 6.436 1.00 0.00 N ATOM 313 CA LEU A 21 -4.023 3.382 6.036 1.00 0.00 C ATOM 314 C LEU A 21 -3.556 1.950 5.768 1.00 0.00 C ATOM 315 O LEU A 21 -4.283 0.995 6.038 1.00 0.00 O ATOM 316 CB LEU A 21 -4.747 4.024 4.851 1.00 0.00 C ATOM 317 CG LEU A 21 -6.158 4.547 5.131 1.00 0.00 C ATOM 318 CD1 LEU A 21 -6.202 6.075 5.052 1.00 0.00 C ATOM 319 CD2 LEU A 21 -7.180 3.895 4.198 1.00 0.00 C ATOM 0 H LEU A 21 -2.727 5.019 5.861 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.757 3.334 6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -4.140 4.852 4.485 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -4.805 3.291 4.046 1.00 0.00 H new ATOM 0 HG LEU A 21 -6.429 4.269 6.149 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -7.216 6.421 5.255 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -5.520 6.497 5.790 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -5.902 6.397 4.055 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -8.174 4.284 4.418 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -6.923 4.120 3.163 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -7.172 2.815 4.347 1.00 0.00 H new ATOM 331 N VAL A 22 -2.345 1.845 5.240 1.00 0.00 N ATOM 332 CA VAL A 22 -1.772 0.546 4.932 1.00 0.00 C ATOM 333 C VAL A 22 -1.562 -0.234 6.232 1.00 0.00 C ATOM 334 O VAL A 22 -2.132 -1.309 6.414 1.00 0.00 O ATOM 335 CB VAL A 22 -0.484 0.720 4.124 1.00 0.00 C ATOM 336 CG1 VAL A 22 0.360 -0.556 4.157 1.00 0.00 C ATOM 337 CG2 VAL A 22 -0.793 1.137 2.685 1.00 0.00 C ATOM 0 H VAL A 22 -1.745 2.639 5.018 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.453 -0.035 4.310 1.00 0.00 H new ATOM 0 HB VAL A 22 0.098 1.518 4.586 1.00 0.00 H new ATOM 0 HG11 VAL A 22 1.270 -0.406 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 22 0.623 -0.791 5.188 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.211 -1.381 3.731 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.139 1.254 2.132 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.404 0.371 2.208 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.334 2.083 2.689 1.00 0.00 H new ATOM 347 N ARG A 23 -0.741 0.337 7.101 1.00 0.00 N ATOM 348 CA ARG A 23 -0.449 -0.292 8.378 1.00 0.00 C ATOM 349 C ARG A 23 -1.747 -0.619 9.119 1.00 0.00 C ATOM 350 O ARG A 23 -1.758 -1.457 10.019 1.00 0.00 O ATOM 351 CB ARG A 23 0.415 0.618 9.255 1.00 0.00 C ATOM 352 CG ARG A 23 0.861 -0.108 10.526 1.00 0.00 C ATOM 353 CD ARG A 23 2.294 0.275 10.902 1.00 0.00 C ATOM 354 NE ARG A 23 3.244 -0.715 10.348 1.00 0.00 N ATOM 355 CZ ARG A 23 4.586 -0.566 10.364 1.00 0.00 C ATOM 356 NH1 ARG A 23 5.147 0.535 10.907 1.00 0.00 N ATOM 357 NH2 ARG A 23 5.341 -1.514 9.841 1.00 0.00 N ATOM 0 H ARG A 23 -0.269 1.228 6.946 1.00 0.00 H new ATOM 0 HA ARG A 23 0.099 -1.212 8.176 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.290 0.946 8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -0.147 1.513 9.521 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.187 0.140 11.346 1.00 0.00 H new ATOM 0 HG3 ARG A 23 0.796 -1.186 10.375 1.00 0.00 H new ATOM 0 HD2 ARG A 23 2.526 1.268 10.518 1.00 0.00 H new ATOM 0 HD3 ARG A 23 2.394 0.321 11.986 1.00 0.00 H new ATOM 0 HE ARG A 23 2.862 -1.562 9.928 1.00 0.00 H new ATOM 0 HH11 ARG A 23 4.556 1.263 11.310 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.162 0.639 10.915 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.909 -2.343 9.433 1.00 0.00 H new ATOM 0 HH22 ARG A 23 6.356 -1.417 9.845 1.00 0.00 H new ATOM 370 N LEU A 24 -2.810 0.060 8.712 1.00 0.00 N ATOM 371 CA LEU A 24 -4.111 -0.149 9.326 1.00 0.00 C ATOM 372 C LEU A 24 -4.854 -1.254 8.573 1.00 0.00 C ATOM 373 O LEU A 24 -5.304 -2.227 9.177 1.00 0.00 O ATOM 374 CB LEU A 24 -4.884 1.169 9.403 1.00 0.00 C ATOM 375 CG LEU A 24 -6.409 1.054 9.383 1.00 0.00 C ATOM 376 CD1 LEU A 24 -6.906 0.151 10.513 1.00 0.00 C ATOM 377 CD2 LEU A 24 -7.064 2.436 9.424 1.00 0.00 C ATOM 0 H LEU A 24 -2.797 0.755 7.965 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.997 -0.486 10.356 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.590 1.687 10.316 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.576 1.797 8.567 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.703 0.586 8.444 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.993 0.087 10.476 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.479 -0.845 10.397 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.600 0.567 11.473 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -8.148 2.325 9.409 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -6.765 2.954 10.335 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.746 3.015 8.557 1.00 0.00 H new ATOM 389 N VAL A 25 -4.959 -1.068 7.265 1.00 0.00 N ATOM 390 CA VAL A 25 -5.640 -2.037 6.424 1.00 0.00 C ATOM 391 C VAL A 25 -5.050 -3.427 6.674 1.00 0.00 C ATOM 392 O VAL A 25 -5.776 -4.419 6.690 1.00 0.00 O ATOM 393 CB VAL A 25 -5.556 -1.607 4.958 1.00 0.00 C ATOM 394 CG1 VAL A 25 -4.351 -2.248 4.267 1.00 0.00 C ATOM 395 CG2 VAL A 25 -6.853 -1.936 4.215 1.00 0.00 C ATOM 0 H VAL A 25 -4.584 -0.260 6.768 1.00 0.00 H new ATOM 0 HA VAL A 25 -6.700 -2.084 6.676 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.421 -0.526 4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -4.315 -1.926 3.226 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.436 -1.942 4.774 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -4.443 -3.333 4.308 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -6.767 -1.620 3.175 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -7.032 -3.010 4.254 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.685 -1.412 4.686 1.00 0.00 H new ATOM 405 N ARG A 26 -3.739 -3.453 6.863 1.00 0.00 N ATOM 406 CA ARG A 26 -3.044 -4.704 7.112 1.00 0.00 C ATOM 407 C ARG A 26 -3.486 -5.300 8.450 1.00 0.00 C ATOM 408 O ARG A 26 -3.754 -6.497 8.542 1.00 0.00 O ATOM 409 CB ARG A 26 -1.528 -4.498 7.130 1.00 0.00 C ATOM 410 CG ARG A 26 -0.929 -4.713 5.738 1.00 0.00 C ATOM 411 CD ARG A 26 0.567 -5.023 5.827 1.00 0.00 C ATOM 412 NE ARG A 26 1.348 -3.932 5.204 1.00 0.00 N ATOM 413 CZ ARG A 26 2.626 -3.638 5.525 1.00 0.00 C ATOM 414 NH1 ARG A 26 3.279 -4.353 6.466 1.00 0.00 N ATOM 415 NH2 ARG A 26 3.229 -2.640 4.905 1.00 0.00 N ATOM 0 H ARG A 26 -3.140 -2.628 6.849 1.00 0.00 H new ATOM 0 HA ARG A 26 -3.297 -5.390 6.303 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.298 -3.491 7.477 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.072 -5.191 7.837 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -1.445 -5.533 5.239 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -1.084 -3.822 5.130 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.861 -5.142 6.870 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.782 -5.967 5.326 1.00 0.00 H new ATOM 0 HE ARG A 26 0.893 -3.367 4.487 1.00 0.00 H new ATOM 0 HH11 ARG A 26 2.807 -5.122 6.941 1.00 0.00 H new ATOM 0 HH12 ARG A 26 4.244 -4.124 6.702 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.729 -2.104 4.195 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.194 -2.405 5.136 1.00 0.00 H new ATOM 428 N THR A 27 -3.549 -4.438 9.454 1.00 0.00 N ATOM 429 CA THR A 27 -3.954 -4.865 10.782 1.00 0.00 C ATOM 430 C THR A 27 -5.442 -5.220 10.797 1.00 0.00 C ATOM 431 O THR A 27 -5.857 -6.139 11.503 1.00 0.00 O ATOM 432 CB THR A 27 -3.585 -3.755 11.768 1.00 0.00 C ATOM 433 OG1 THR A 27 -2.172 -3.624 11.631 1.00 0.00 O ATOM 434 CG2 THR A 27 -3.780 -4.177 13.226 1.00 0.00 C ATOM 0 H THR A 27 -3.326 -3.446 9.374 1.00 0.00 H new ATOM 0 HA THR A 27 -3.432 -5.774 11.082 1.00 0.00 H new ATOM 0 HB THR A 27 -4.190 -2.872 11.562 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.967 -2.820 11.109 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.504 -3.353 13.883 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.825 -4.439 13.392 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.150 -5.040 13.442 1.00 0.00 H new ATOM 442 N SER A 28 -6.204 -4.475 10.011 1.00 0.00 N ATOM 443 CA SER A 28 -7.637 -4.700 9.925 1.00 0.00 C ATOM 444 C SER A 28 -7.916 -6.042 9.245 1.00 0.00 C ATOM 445 O SER A 28 -8.689 -6.851 9.754 1.00 0.00 O ATOM 446 CB SER A 28 -8.328 -3.566 9.166 1.00 0.00 C ATOM 447 OG SER A 28 -8.277 -2.335 9.882 1.00 0.00 O ATOM 0 H SER A 28 -5.856 -3.714 9.427 1.00 0.00 H new ATOM 0 HA SER A 28 -8.041 -4.722 10.937 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.853 -3.439 8.193 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.368 -3.835 8.981 1.00 0.00 H new ATOM 0 HG SER A 28 -8.727 -1.636 9.363 1.00 0.00 H new ATOM 453 N THR A 29 -7.270 -6.236 8.104 1.00 0.00 N ATOM 454 CA THR A 29 -7.439 -7.466 7.349 1.00 0.00 C ATOM 455 C THR A 29 -6.986 -8.668 8.179 1.00 0.00 C ATOM 456 O THR A 29 -7.574 -9.745 8.090 1.00 0.00 O ATOM 457 CB THR A 29 -6.680 -7.318 6.029 1.00 0.00 C ATOM 458 OG1 THR A 29 -7.135 -6.074 5.503 1.00 0.00 O ATOM 459 CG2 THR A 29 -7.116 -8.347 4.984 1.00 0.00 C ATOM 0 H THR A 29 -6.629 -5.562 7.685 1.00 0.00 H new ATOM 0 HA THR A 29 -8.489 -7.648 7.119 1.00 0.00 H new ATOM 0 HB THR A 29 -5.610 -7.419 6.213 1.00 0.00 H new ATOM 0 HG1 THR A 29 -6.440 -5.394 5.623 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.547 -8.198 4.067 1.00 0.00 H new ATOM 0 HG22 THR A 29 -6.934 -9.352 5.365 1.00 0.00 H new ATOM 0 HG23 THR A 29 -8.179 -8.225 4.775 1.00 0.00 H new ATOM 467 N ALA A 30 -5.946 -8.444 8.968 1.00 0.00 N ATOM 468 CA ALA A 30 -5.408 -9.495 9.814 1.00 0.00 C ATOM 469 C ALA A 30 -6.264 -9.617 11.076 1.00 0.00 C ATOM 470 O ALA A 30 -6.480 -10.718 11.580 1.00 0.00 O ATOM 471 CB ALA A 30 -3.941 -9.195 10.131 1.00 0.00 C ATOM 0 H ALA A 30 -5.461 -7.549 9.039 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.441 -10.456 9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -3.537 -9.984 10.766 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.371 -9.148 9.203 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.869 -8.239 10.650 1.00 0.00 H new ATOM 477 N THR A 31 -6.729 -8.471 11.550 1.00 0.00 N ATOM 478 CA THR A 31 -7.557 -8.435 12.744 1.00 0.00 C ATOM 479 C THR A 31 -8.915 -9.084 12.470 1.00 0.00 C ATOM 480 O THR A 31 -9.329 -9.993 13.188 1.00 0.00 O ATOM 481 CB THR A 31 -7.660 -6.980 13.205 1.00 0.00 C ATOM 482 OG1 THR A 31 -6.410 -6.728 13.841 1.00 0.00 O ATOM 483 CG2 THR A 31 -8.691 -6.790 14.319 1.00 0.00 C ATOM 0 H THR A 31 -6.548 -7.560 11.129 1.00 0.00 H new ATOM 0 HA THR A 31 -7.112 -9.015 13.552 1.00 0.00 H new ATOM 0 HB THR A 31 -7.923 -6.348 12.357 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.713 -6.620 13.161 1.00 0.00 H new ATOM 0 HG21 THR A 31 -8.724 -5.740 14.609 1.00 0.00 H new ATOM 0 HG22 THR A 31 -9.673 -7.099 13.962 1.00 0.00 H new ATOM 0 HG23 THR A 31 -8.411 -7.396 15.181 1.00 0.00 H new ATOM 491 N VAL A 32 -9.572 -8.591 11.430 1.00 0.00 N ATOM 492 CA VAL A 32 -10.875 -9.111 11.053 1.00 0.00 C ATOM 493 C VAL A 32 -10.816 -10.639 11.008 1.00 0.00 C ATOM 494 O VAL A 32 -11.778 -11.312 11.375 1.00 0.00 O ATOM 495 CB VAL A 32 -11.322 -8.491 9.727 1.00 0.00 C ATOM 496 CG1 VAL A 32 -10.289 -8.744 8.628 1.00 0.00 C ATOM 497 CG2 VAL A 32 -12.700 -9.013 9.315 1.00 0.00 C ATOM 0 H VAL A 32 -9.226 -7.837 10.837 1.00 0.00 H new ATOM 0 HA VAL A 32 -11.625 -8.836 11.795 1.00 0.00 H new ATOM 0 HB VAL A 32 -11.401 -7.413 9.871 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -10.631 -8.293 7.696 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -9.335 -8.302 8.916 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -10.163 -9.818 8.487 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -12.994 -8.557 8.370 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -12.659 -10.096 9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -13.430 -8.759 10.083 1.00 0.00 H new ATOM 507 N LEU A 33 -9.677 -11.143 10.556 1.00 0.00 N ATOM 508 CA LEU A 33 -9.480 -12.579 10.459 1.00 0.00 C ATOM 509 C LEU A 33 -8.865 -13.094 11.761 1.00 0.00 C ATOM 510 O LEU A 33 -8.069 -14.031 11.748 1.00 0.00 O ATOM 511 CB LEU A 33 -8.660 -12.924 9.213 1.00 0.00 C ATOM 512 CG LEU A 33 -9.398 -12.826 7.877 1.00 0.00 C ATOM 513 CD1 LEU A 33 -8.717 -11.818 6.948 1.00 0.00 C ATOM 514 CD2 LEU A 33 -9.538 -14.203 7.225 1.00 0.00 C ATOM 0 H LEU A 33 -8.881 -10.582 10.253 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.436 -13.087 10.335 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.795 -12.262 9.177 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -8.280 -13.940 9.322 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.406 -12.458 8.069 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -9.261 -11.767 6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.713 -10.835 7.418 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.691 -12.133 6.758 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.066 -14.105 6.277 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -8.548 -14.624 7.047 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -10.099 -14.863 7.886 1.00 0.00 H new ATOM 526 N GLY A 34 -9.259 -12.460 12.856 1.00 0.00 N ATOM 527 CA GLY A 34 -8.757 -12.843 14.165 1.00 0.00 C ATOM 528 C GLY A 34 -7.250 -13.103 14.119 1.00 0.00 C ATOM 529 O GLY A 34 -6.792 -14.182 14.491 1.00 0.00 O ATOM 0 H GLY A 34 -9.920 -11.683 12.864 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.972 -12.054 14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.274 -13.739 14.509 1.00 0.00 H new ATOM 533 N HIS A 35 -6.522 -12.096 13.661 1.00 0.00 N ATOM 534 CA HIS A 35 -5.076 -12.203 13.562 1.00 0.00 C ATOM 535 C HIS A 35 -4.428 -10.946 14.146 1.00 0.00 C ATOM 536 O HIS A 35 -4.781 -9.829 13.770 1.00 0.00 O ATOM 537 CB HIS A 35 -4.649 -12.474 12.118 1.00 0.00 C ATOM 538 CG HIS A 35 -3.442 -13.373 11.993 1.00 0.00 C ATOM 539 ND1 HIS A 35 -2.460 -13.182 11.037 1.00 0.00 N ATOM 540 CD2 HIS A 35 -3.070 -14.470 12.714 1.00 0.00 C ATOM 541 CE1 HIS A 35 -1.543 -14.127 11.185 1.00 0.00 C ATOM 542 NE2 HIS A 35 -1.923 -14.925 12.224 1.00 0.00 N ATOM 0 H HIS A 35 -6.906 -11.202 13.354 1.00 0.00 H new ATOM 0 HA HIS A 35 -4.729 -13.054 14.148 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -5.483 -12.926 11.582 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -4.434 -11.524 11.629 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -3.616 -14.896 13.543 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -0.651 -14.245 10.588 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -1.411 -15.737 12.568 1.00 0.00 H new ATOM 550 N ASP A 36 -3.490 -11.170 15.055 1.00 0.00 N ATOM 551 CA ASP A 36 -2.789 -10.070 15.694 1.00 0.00 C ATOM 552 C ASP A 36 -1.286 -10.218 15.452 1.00 0.00 C ATOM 553 O ASP A 36 -0.476 -9.736 16.241 1.00 0.00 O ATOM 554 CB ASP A 36 -3.027 -10.070 17.206 1.00 0.00 C ATOM 555 CG ASP A 36 -3.250 -8.689 17.825 1.00 0.00 C ATOM 556 OD1 ASP A 36 -2.901 -7.658 17.230 1.00 0.00 O ATOM 557 OD2 ASP A 36 -3.816 -8.696 18.984 1.00 0.00 O ATOM 0 H ASP A 36 -3.199 -12.098 15.364 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.165 -9.139 15.269 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.895 -10.693 17.422 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.171 -10.536 17.693 1.00 0.00 H new ATOM 563 N ASP A 37 -0.959 -10.889 14.356 1.00 0.00 N ATOM 564 CA ASP A 37 0.432 -11.107 14.000 1.00 0.00 C ATOM 565 C ASP A 37 0.695 -10.527 12.609 1.00 0.00 C ATOM 566 O ASP A 37 0.744 -11.264 11.625 1.00 0.00 O ATOM 567 CB ASP A 37 0.763 -12.601 13.960 1.00 0.00 C ATOM 568 CG ASP A 37 0.011 -13.457 14.981 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.133 -13.874 14.745 1.00 0.00 O ATOM 570 OD2 ASP A 37 0.656 -13.696 16.072 1.00 0.00 O ATOM 0 H ASP A 37 -1.634 -11.288 13.704 1.00 0.00 H new ATOM 0 HA ASP A 37 1.053 -10.620 14.752 1.00 0.00 H new ATOM 0 HB2 ASP A 37 0.546 -12.979 12.961 1.00 0.00 H new ATOM 0 HB3 ASP A 37 1.834 -12.725 14.122 1.00 0.00 H new ATOM 576 N PRO A 38 0.861 -9.178 12.570 1.00 0.00 N ATOM 577 CA PRO A 38 1.118 -8.491 11.316 1.00 0.00 C ATOM 578 C PRO A 38 2.558 -8.717 10.852 1.00 0.00 C ATOM 579 O PRO A 38 2.874 -8.520 9.680 1.00 0.00 O ATOM 580 CB PRO A 38 0.807 -7.030 11.597 1.00 0.00 C ATOM 581 CG PRO A 38 0.836 -6.881 13.109 1.00 0.00 C ATOM 582 CD PRO A 38 0.810 -8.274 13.716 1.00 0.00 C ATOM 0 HA PRO A 38 0.503 -8.865 10.498 1.00 0.00 H new ATOM 0 HB2 PRO A 38 1.542 -6.377 11.126 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -0.168 -6.754 11.196 1.00 0.00 H new ATOM 0 HG2 PRO A 38 1.732 -6.345 13.422 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -0.020 -6.299 13.452 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.658 -8.431 14.383 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -0.093 -8.432 14.306 1.00 0.00 H new ATOM 590 N LYS A 39 3.393 -9.126 11.796 1.00 0.00 N ATOM 591 CA LYS A 39 4.793 -9.380 11.498 1.00 0.00 C ATOM 592 C LYS A 39 4.892 -10.457 10.416 1.00 0.00 C ATOM 593 O LYS A 39 5.839 -10.468 9.631 1.00 0.00 O ATOM 594 CB LYS A 39 5.559 -9.722 12.778 1.00 0.00 C ATOM 595 CG LYS A 39 4.947 -10.940 13.474 1.00 0.00 C ATOM 596 CD LYS A 39 6.037 -11.888 13.978 1.00 0.00 C ATOM 597 CE LYS A 39 5.839 -12.214 15.459 1.00 0.00 C ATOM 598 NZ LYS A 39 7.133 -12.172 16.177 1.00 0.00 N ATOM 0 H LYS A 39 3.127 -9.288 12.767 1.00 0.00 H new ATOM 0 HA LYS A 39 5.267 -8.483 11.100 1.00 0.00 H new ATOM 0 HB2 LYS A 39 6.603 -9.922 12.539 1.00 0.00 H new ATOM 0 HB3 LYS A 39 5.545 -8.867 13.454 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.329 -10.613 14.310 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.292 -11.468 12.781 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.022 -12.808 13.394 1.00 0.00 H new ATOM 0 HD3 LYS A 39 7.016 -11.433 13.830 1.00 0.00 H new ATOM 0 HE2 LYS A 39 5.146 -11.501 15.905 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.391 -13.202 15.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.980 -12.396 17.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 7.783 -12.870 15.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.546 -11.221 16.093 1.00 0.00 H new ATOM 611 N ALA A 40 3.901 -11.336 10.408 1.00 0.00 N ATOM 612 CA ALA A 40 3.864 -12.415 9.435 1.00 0.00 C ATOM 613 C ALA A 40 2.958 -12.014 8.270 1.00 0.00 C ATOM 614 O ALA A 40 2.560 -12.859 7.469 1.00 0.00 O ATOM 615 CB ALA A 40 3.401 -13.703 10.118 1.00 0.00 C ATOM 0 H ALA A 40 3.117 -11.323 11.060 1.00 0.00 H new ATOM 0 HA ALA A 40 4.859 -12.601 9.030 1.00 0.00 H new ATOM 0 HB1 ALA A 40 3.373 -14.512 9.388 1.00 0.00 H new ATOM 0 HB2 ALA A 40 4.095 -13.960 10.919 1.00 0.00 H new ATOM 0 HB3 ALA A 40 2.405 -13.556 10.535 1.00 0.00 H new ATOM 621 N VAL A 41 2.657 -10.725 8.212 1.00 0.00 N ATOM 622 CA VAL A 41 1.804 -10.202 7.158 1.00 0.00 C ATOM 623 C VAL A 41 2.595 -9.194 6.321 1.00 0.00 C ATOM 624 O VAL A 41 3.491 -8.524 6.833 1.00 0.00 O ATOM 625 CB VAL A 41 0.530 -9.608 7.762 1.00 0.00 C ATOM 626 CG1 VAL A 41 -0.169 -8.681 6.765 1.00 0.00 C ATOM 627 CG2 VAL A 41 -0.416 -10.712 8.240 1.00 0.00 C ATOM 0 H VAL A 41 2.989 -10.027 8.878 1.00 0.00 H new ATOM 0 HA VAL A 41 1.488 -11.003 6.490 1.00 0.00 H new ATOM 0 HB VAL A 41 0.816 -9.013 8.629 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.072 -8.272 7.219 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.502 -7.866 6.494 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.436 -9.244 5.871 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -1.314 -10.263 8.665 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.691 -11.345 7.397 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.082 -11.315 8.999 1.00 0.00 H new ATOM 637 N ARG A 42 2.235 -9.119 5.048 1.00 0.00 N ATOM 638 CA ARG A 42 2.900 -8.204 4.136 1.00 0.00 C ATOM 639 C ARG A 42 1.875 -7.291 3.459 1.00 0.00 C ATOM 640 O ARG A 42 0.671 -7.514 3.571 1.00 0.00 O ATOM 641 CB ARG A 42 3.681 -8.966 3.063 1.00 0.00 C ATOM 642 CG ARG A 42 5.171 -9.021 3.405 1.00 0.00 C ATOM 643 CD ARG A 42 5.888 -10.078 2.562 1.00 0.00 C ATOM 644 NE ARG A 42 5.813 -9.718 1.129 1.00 0.00 N ATOM 645 CZ ARG A 42 6.523 -10.330 0.157 1.00 0.00 C ATOM 646 NH1 ARG A 42 7.368 -11.339 0.457 1.00 0.00 N ATOM 647 NH2 ARG A 42 6.378 -9.927 -1.092 1.00 0.00 N ATOM 0 H ARG A 42 1.492 -9.677 4.627 1.00 0.00 H new ATOM 0 HA ARG A 42 3.598 -7.603 4.719 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.288 -9.978 2.972 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.544 -8.482 2.096 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.624 -8.045 3.233 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.297 -9.248 4.464 1.00 0.00 H new ATOM 0 HD2 ARG A 42 6.930 -10.157 2.872 1.00 0.00 H new ATOM 0 HD3 ARG A 42 5.433 -11.055 2.724 1.00 0.00 H new ATOM 0 HE ARG A 42 5.186 -8.960 0.858 1.00 0.00 H new ATOM 0 HH11 ARG A 42 7.474 -11.645 1.424 1.00 0.00 H new ATOM 0 HH12 ARG A 42 7.900 -11.796 -0.284 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.737 -9.164 -1.311 1.00 0.00 H new ATOM 0 HH22 ARG A 42 6.907 -10.379 -1.838 1.00 0.00 H new ATOM 660 N ALA A 43 2.392 -6.283 2.772 1.00 0.00 N ATOM 661 CA ALA A 43 1.536 -5.336 2.077 1.00 0.00 C ATOM 662 C ALA A 43 1.024 -5.971 0.783 1.00 0.00 C ATOM 663 O ALA A 43 -0.103 -5.713 0.364 1.00 0.00 O ATOM 664 CB ALA A 43 2.310 -4.040 1.824 1.00 0.00 C ATOM 0 H ALA A 43 3.392 -6.101 2.682 1.00 0.00 H new ATOM 0 HA ALA A 43 0.668 -5.085 2.686 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.669 -3.329 1.303 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.626 -3.613 2.776 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.187 -4.253 1.213 1.00 0.00 H new ATOM 670 N THR A 44 1.877 -6.791 0.186 1.00 0.00 N ATOM 671 CA THR A 44 1.525 -7.465 -1.052 1.00 0.00 C ATOM 672 C THR A 44 1.088 -8.904 -0.769 1.00 0.00 C ATOM 673 O THR A 44 1.371 -9.808 -1.554 1.00 0.00 O ATOM 674 CB THR A 44 2.722 -7.370 -2.000 1.00 0.00 C ATOM 675 OG1 THR A 44 3.843 -7.680 -1.176 1.00 0.00 O ATOM 676 CG2 THR A 44 2.987 -5.936 -2.465 1.00 0.00 C ATOM 0 H THR A 44 2.811 -7.004 0.537 1.00 0.00 H new ATOM 0 HA THR A 44 0.672 -6.987 -1.534 1.00 0.00 H new ATOM 0 HB THR A 44 2.550 -8.008 -2.867 1.00 0.00 H new ATOM 0 HG1 THR A 44 4.671 -7.489 -1.665 1.00 0.00 H new ATOM 0 HG21 THR A 44 3.846 -5.924 -3.135 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.111 -5.556 -2.991 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.193 -5.305 -1.600 1.00 0.00 H new ATOM 684 N THR A 45 0.404 -9.071 0.353 1.00 0.00 N ATOM 685 CA THR A 45 -0.076 -10.384 0.749 1.00 0.00 C ATOM 686 C THR A 45 -1.450 -10.658 0.135 1.00 0.00 C ATOM 687 O THR A 45 -2.219 -9.730 -0.112 1.00 0.00 O ATOM 688 CB THR A 45 -0.069 -10.449 2.278 1.00 0.00 C ATOM 689 OG1 THR A 45 0.871 -11.476 2.578 1.00 0.00 O ATOM 690 CG2 THR A 45 -1.389 -10.974 2.847 1.00 0.00 C ATOM 0 H THR A 45 0.171 -8.318 1.001 1.00 0.00 H new ATOM 0 HA THR A 45 0.575 -11.173 0.373 1.00 0.00 H new ATOM 0 HB THR A 45 0.132 -9.457 2.682 1.00 0.00 H new ATOM 0 HG1 THR A 45 0.939 -11.583 3.550 1.00 0.00 H new ATOM 0 HG21 THR A 45 -1.331 -11.000 3.935 1.00 0.00 H new ATOM 0 HG22 THR A 45 -2.203 -10.317 2.543 1.00 0.00 H new ATOM 0 HG23 THR A 45 -1.574 -11.980 2.469 1.00 0.00 H new ATOM 698 N PRO A 46 -1.724 -11.969 -0.100 1.00 0.00 N ATOM 699 CA PRO A 46 -2.992 -12.376 -0.681 1.00 0.00 C ATOM 700 C PRO A 46 -4.120 -12.289 0.350 1.00 0.00 C ATOM 701 O PRO A 46 -4.030 -12.880 1.425 1.00 0.00 O ATOM 702 CB PRO A 46 -2.757 -13.790 -1.186 1.00 0.00 C ATOM 703 CG PRO A 46 -1.519 -14.292 -0.461 1.00 0.00 C ATOM 704 CD PRO A 46 -0.837 -13.094 0.180 1.00 0.00 C ATOM 0 HA PRO A 46 -3.311 -11.725 -1.495 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.617 -14.427 -0.978 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.608 -13.799 -2.266 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.792 -15.027 0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.843 -14.788 -1.158 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.708 -13.239 1.253 1.00 0.00 H new ATOM 0 HD3 PRO A 46 0.155 -12.931 -0.241 1.00 0.00 H new ATOM 712 N PHE A 47 -5.156 -11.548 -0.015 1.00 0.00 N ATOM 713 CA PHE A 47 -6.300 -11.376 0.864 1.00 0.00 C ATOM 714 C PHE A 47 -7.213 -12.602 0.821 1.00 0.00 C ATOM 715 O PHE A 47 -7.668 -13.079 1.860 1.00 0.00 O ATOM 716 CB PHE A 47 -7.075 -10.159 0.356 1.00 0.00 C ATOM 717 CG PHE A 47 -7.893 -10.426 -0.909 1.00 0.00 C ATOM 718 CD1 PHE A 47 -9.125 -10.993 -0.816 1.00 0.00 C ATOM 719 CD2 PHE A 47 -7.387 -10.095 -2.128 1.00 0.00 C ATOM 720 CE1 PHE A 47 -9.884 -11.240 -1.990 1.00 0.00 C ATOM 721 CE2 PHE A 47 -8.146 -10.342 -3.302 1.00 0.00 C ATOM 722 CZ PHE A 47 -9.378 -10.910 -3.209 1.00 0.00 C ATOM 0 H PHE A 47 -5.227 -11.060 -0.908 1.00 0.00 H new ATOM 0 HA PHE A 47 -5.963 -11.243 1.892 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -7.745 -9.813 1.143 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -6.372 -9.350 0.158 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.527 -11.256 0.152 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -6.408 -9.645 -2.202 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -10.863 -11.690 -1.915 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.745 -10.079 -4.269 1.00 0.00 H new ATOM 0 HZ PHE A 47 -9.955 -11.099 -4.102 1.00 0.00 H new ATOM 732 N LYS A 48 -7.456 -13.078 -0.392 1.00 0.00 N ATOM 733 CA LYS A 48 -8.307 -14.240 -0.584 1.00 0.00 C ATOM 734 C LYS A 48 -7.698 -15.439 0.145 1.00 0.00 C ATOM 735 O LYS A 48 -8.376 -16.438 0.378 1.00 0.00 O ATOM 736 CB LYS A 48 -8.551 -14.484 -2.075 1.00 0.00 C ATOM 737 CG LYS A 48 -9.924 -15.117 -2.309 1.00 0.00 C ATOM 738 CD LYS A 48 -10.092 -15.538 -3.770 1.00 0.00 C ATOM 739 CE LYS A 48 -11.146 -16.639 -3.906 1.00 0.00 C ATOM 740 NZ LYS A 48 -11.476 -16.867 -5.331 1.00 0.00 N ATOM 0 H LYS A 48 -7.078 -12.680 -1.252 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.291 -14.069 -0.148 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.484 -13.541 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.773 -15.136 -2.473 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.043 -15.985 -1.661 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.706 -14.408 -2.039 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.383 -14.675 -4.370 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.139 -15.892 -4.162 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.776 -17.562 -3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.046 -16.359 -3.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.193 -17.617 -5.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.849 -15.989 -5.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.619 -17.155 -5.844 1.00 0.00 H new ATOM 753 N GLU A 49 -6.425 -15.300 0.484 1.00 0.00 N ATOM 754 CA GLU A 49 -5.716 -16.360 1.181 1.00 0.00 C ATOM 755 C GLU A 49 -6.139 -16.403 2.651 1.00 0.00 C ATOM 756 O GLU A 49 -6.178 -17.472 3.259 1.00 0.00 O ATOM 757 CB GLU A 49 -4.202 -16.186 1.051 1.00 0.00 C ATOM 758 CG GLU A 49 -3.645 -17.060 -0.075 1.00 0.00 C ATOM 759 CD GLU A 49 -4.561 -17.027 -1.300 1.00 0.00 C ATOM 760 OE1 GLU A 49 -5.172 -15.988 -1.589 1.00 0.00 O ATOM 761 OE2 GLU A 49 -4.627 -18.133 -1.961 1.00 0.00 O ATOM 0 H GLU A 49 -5.866 -14.469 0.289 1.00 0.00 H new ATOM 0 HA GLU A 49 -5.979 -17.311 0.719 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.968 -15.140 0.854 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -3.720 -16.449 1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.650 -16.712 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -3.538 -18.086 0.276 1.00 0.00 H new ATOM 769 N LEU A 50 -6.443 -15.227 3.181 1.00 0.00 N ATOM 770 CA LEU A 50 -6.861 -15.116 4.568 1.00 0.00 C ATOM 771 C LEU A 50 -8.249 -15.740 4.729 1.00 0.00 C ATOM 772 O LEU A 50 -8.594 -16.225 5.806 1.00 0.00 O ATOM 773 CB LEU A 50 -6.782 -13.662 5.037 1.00 0.00 C ATOM 774 CG LEU A 50 -5.516 -12.898 4.642 1.00 0.00 C ATOM 775 CD1 LEU A 50 -5.827 -11.425 4.371 1.00 0.00 C ATOM 776 CD2 LEU A 50 -4.422 -13.068 5.698 1.00 0.00 C ATOM 0 H LEU A 50 -6.408 -14.342 2.674 1.00 0.00 H new ATOM 0 HA LEU A 50 -6.184 -15.672 5.216 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -7.645 -13.126 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -6.868 -13.646 6.123 1.00 0.00 H new ATOM 0 HG LEU A 50 -5.136 -13.323 3.713 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -4.910 -10.905 4.092 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.549 -11.349 3.558 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.244 -10.970 5.270 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.533 -12.515 5.393 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.777 -12.685 6.655 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -4.175 -14.125 5.799 1.00 0.00 H new ATOM 788 N GLY A 51 -9.008 -15.706 3.644 1.00 0.00 N ATOM 789 CA GLY A 51 -10.350 -16.261 3.651 1.00 0.00 C ATOM 790 C GLY A 51 -11.397 -15.170 3.418 1.00 0.00 C ATOM 791 O GLY A 51 -12.432 -15.145 4.082 1.00 0.00 O ATOM 0 H GLY A 51 -8.719 -15.302 2.753 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.436 -17.023 2.877 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.539 -16.753 4.605 1.00 0.00 H new ATOM 795 N PHE A 52 -11.091 -14.293 2.473 1.00 0.00 N ATOM 796 CA PHE A 52 -11.992 -13.202 2.144 1.00 0.00 C ATOM 797 C PHE A 52 -12.697 -13.457 0.810 1.00 0.00 C ATOM 798 O PHE A 52 -12.108 -14.022 -0.110 1.00 0.00 O ATOM 799 CB PHE A 52 -11.138 -11.938 2.023 1.00 0.00 C ATOM 800 CG PHE A 52 -11.158 -11.052 3.269 1.00 0.00 C ATOM 801 CD1 PHE A 52 -11.132 -11.617 4.506 1.00 0.00 C ATOM 802 CD2 PHE A 52 -11.202 -9.698 3.141 1.00 0.00 C ATOM 803 CE1 PHE A 52 -11.151 -10.794 5.663 1.00 0.00 C ATOM 804 CE2 PHE A 52 -11.220 -8.875 4.298 1.00 0.00 C ATOM 805 CZ PHE A 52 -11.194 -9.440 5.535 1.00 0.00 C ATOM 0 H PHE A 52 -10.231 -14.316 1.925 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.756 -13.104 2.915 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -10.108 -12.226 1.811 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.488 -11.356 1.170 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -11.097 -12.692 4.608 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -11.223 -9.249 2.159 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -11.131 -11.243 6.645 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -11.254 -7.800 4.196 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.207 -8.814 6.415 1.00 0.00 H new ATOM 815 N ASP A 53 -13.949 -13.027 0.748 1.00 0.00 N ATOM 816 CA ASP A 53 -14.741 -13.201 -0.458 1.00 0.00 C ATOM 817 C ASP A 53 -15.920 -12.226 -0.434 1.00 0.00 C ATOM 818 O ASP A 53 -15.883 -11.186 -1.089 1.00 0.00 O ATOM 819 CB ASP A 53 -15.304 -14.621 -0.546 1.00 0.00 C ATOM 820 CG ASP A 53 -14.668 -15.503 -1.623 1.00 0.00 C ATOM 821 OD1 ASP A 53 -13.465 -15.800 -1.576 1.00 0.00 O ATOM 822 OD2 ASP A 53 -15.472 -15.894 -2.552 1.00 0.00 O ATOM 0 H ASP A 53 -14.434 -12.559 1.513 1.00 0.00 H new ATOM 0 HA ASP A 53 -14.095 -13.015 -1.316 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -15.177 -15.107 0.422 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -16.376 -14.560 -0.734 1.00 0.00 H new ATOM 828 N SER A 54 -16.938 -12.597 0.329 1.00 0.00 N ATOM 829 CA SER A 54 -18.125 -11.768 0.447 1.00 0.00 C ATOM 830 C SER A 54 -18.291 -11.293 1.892 1.00 0.00 C ATOM 831 O SER A 54 -17.933 -10.164 2.223 1.00 0.00 O ATOM 832 CB SER A 54 -19.373 -12.525 -0.010 1.00 0.00 C ATOM 833 OG SER A 54 -19.216 -13.936 0.112 1.00 0.00 O ATOM 0 H SER A 54 -16.965 -13.460 0.871 1.00 0.00 H new ATOM 0 HA SER A 54 -18.002 -10.900 -0.201 1.00 0.00 H new ATOM 0 HB2 SER A 54 -20.230 -12.203 0.582 1.00 0.00 H new ATOM 0 HB3 SER A 54 -19.590 -12.273 -1.048 1.00 0.00 H new ATOM 0 HG SER A 54 -20.035 -14.383 -0.188 1.00 0.00 H new ATOM 839 N LEU A 55 -18.834 -12.180 2.713 1.00 0.00 N ATOM 840 CA LEU A 55 -19.052 -11.866 4.115 1.00 0.00 C ATOM 841 C LEU A 55 -17.845 -11.095 4.654 1.00 0.00 C ATOM 842 O LEU A 55 -17.960 -9.922 5.008 1.00 0.00 O ATOM 843 CB LEU A 55 -19.372 -13.136 4.905 1.00 0.00 C ATOM 844 CG LEU A 55 -20.734 -13.775 4.624 1.00 0.00 C ATOM 845 CD1 LEU A 55 -21.613 -12.846 3.784 1.00 0.00 C ATOM 846 CD2 LEU A 55 -20.570 -15.151 3.974 1.00 0.00 C ATOM 0 H LEU A 55 -19.129 -13.116 2.434 1.00 0.00 H new ATOM 0 HA LEU A 55 -19.922 -11.219 4.230 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -18.597 -13.874 4.698 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -19.314 -12.903 5.968 1.00 0.00 H new ATOM 0 HG LEU A 55 -21.243 -13.926 5.576 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -22.575 -13.324 3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -21.770 -11.910 4.321 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -21.121 -12.641 2.833 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -21.552 -15.583 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -20.032 -15.047 3.032 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -20.009 -15.804 4.642 1.00 0.00 H new ATOM 858 N ALA A 56 -16.715 -11.785 4.700 1.00 0.00 N ATOM 859 CA ALA A 56 -15.488 -11.179 5.189 1.00 0.00 C ATOM 860 C ALA A 56 -15.192 -9.913 4.384 1.00 0.00 C ATOM 861 O ALA A 56 -14.657 -8.943 4.919 1.00 0.00 O ATOM 862 CB ALA A 56 -14.349 -12.199 5.112 1.00 0.00 C ATOM 0 H ALA A 56 -16.623 -12.758 4.407 1.00 0.00 H new ATOM 0 HA ALA A 56 -15.595 -10.887 6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.428 -11.745 5.479 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -14.595 -13.066 5.725 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -14.211 -12.513 4.077 1.00 0.00 H new ATOM 868 N ALA A 57 -15.554 -9.962 3.110 1.00 0.00 N ATOM 869 CA ALA A 57 -15.334 -8.830 2.225 1.00 0.00 C ATOM 870 C ALA A 57 -16.181 -7.647 2.698 1.00 0.00 C ATOM 871 O ALA A 57 -15.782 -6.493 2.545 1.00 0.00 O ATOM 872 CB ALA A 57 -15.655 -9.238 0.786 1.00 0.00 C ATOM 0 H ALA A 57 -15.998 -10.768 2.670 1.00 0.00 H new ATOM 0 HA ALA A 57 -14.290 -8.519 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -15.490 -8.390 0.122 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -15.007 -10.063 0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -16.696 -9.553 0.721 1.00 0.00 H new ATOM 878 N VAL A 58 -17.334 -7.974 3.264 1.00 0.00 N ATOM 879 CA VAL A 58 -18.240 -6.952 3.760 1.00 0.00 C ATOM 880 C VAL A 58 -17.776 -6.494 5.144 1.00 0.00 C ATOM 881 O VAL A 58 -17.840 -5.307 5.463 1.00 0.00 O ATOM 882 CB VAL A 58 -19.676 -7.479 3.755 1.00 0.00 C ATOM 883 CG1 VAL A 58 -20.154 -7.782 5.176 1.00 0.00 C ATOM 884 CG2 VAL A 58 -20.619 -6.496 3.057 1.00 0.00 C ATOM 0 H VAL A 58 -17.661 -8.932 3.390 1.00 0.00 H new ATOM 0 HA VAL A 58 -18.226 -6.079 3.107 1.00 0.00 H new ATOM 0 HB VAL A 58 -19.688 -8.412 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -21.178 -8.155 5.144 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -19.507 -8.536 5.625 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -20.118 -6.871 5.774 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -21.633 -6.895 3.067 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -20.600 -5.540 3.580 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -20.296 -6.352 2.026 1.00 0.00 H new ATOM 894 N ARG A 59 -17.320 -7.458 5.929 1.00 0.00 N ATOM 895 CA ARG A 59 -16.845 -7.169 7.272 1.00 0.00 C ATOM 896 C ARG A 59 -15.718 -6.135 7.225 1.00 0.00 C ATOM 897 O ARG A 59 -15.624 -5.275 8.099 1.00 0.00 O ATOM 898 CB ARG A 59 -16.337 -8.436 7.962 1.00 0.00 C ATOM 899 CG ARG A 59 -17.493 -9.386 8.284 1.00 0.00 C ATOM 900 CD ARG A 59 -17.424 -9.861 9.736 1.00 0.00 C ATOM 901 NE ARG A 59 -16.861 -11.229 9.795 1.00 0.00 N ATOM 902 CZ ARG A 59 -16.269 -11.757 10.888 1.00 0.00 C ATOM 903 NH1 ARG A 59 -16.158 -11.036 12.023 1.00 0.00 N ATOM 904 NH2 ARG A 59 -15.801 -12.990 10.829 1.00 0.00 N ATOM 0 H ARG A 59 -17.269 -8.441 5.661 1.00 0.00 H new ATOM 0 HA ARG A 59 -17.685 -6.771 7.842 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -15.616 -8.940 7.319 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -15.814 -8.169 8.880 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -18.443 -8.881 8.107 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -17.459 -10.245 7.614 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -16.807 -9.179 10.321 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -18.420 -9.849 10.179 1.00 0.00 H new ATOM 0 HE ARG A 59 -16.924 -11.809 8.958 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -16.523 -10.084 12.060 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -15.709 -11.443 12.844 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.889 -13.528 9.967 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.351 -13.404 11.645 1.00 0.00 H new ATOM 917 N LEU A 60 -14.892 -6.254 6.196 1.00 0.00 N ATOM 918 CA LEU A 60 -13.775 -5.340 6.024 1.00 0.00 C ATOM 919 C LEU A 60 -14.310 -3.925 5.793 1.00 0.00 C ATOM 920 O LEU A 60 -14.102 -3.037 6.618 1.00 0.00 O ATOM 921 CB LEU A 60 -12.844 -5.835 4.915 1.00 0.00 C ATOM 922 CG LEU A 60 -11.368 -5.459 5.061 1.00 0.00 C ATOM 923 CD1 LEU A 60 -10.689 -6.311 6.135 1.00 0.00 C ATOM 924 CD2 LEU A 60 -10.645 -5.548 3.716 1.00 0.00 C ATOM 0 H LEU A 60 -14.974 -6.969 5.473 1.00 0.00 H new ATOM 0 HA LEU A 60 -13.167 -5.307 6.928 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.918 -6.921 4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -13.205 -5.445 3.963 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.310 -4.421 5.390 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.641 -6.024 6.219 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -11.186 -6.154 7.092 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -10.756 -7.364 5.860 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.598 -5.276 3.847 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.710 -6.567 3.335 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -11.111 -4.865 3.006 1.00 0.00 H new ATOM 936 N ARG A 61 -14.988 -3.760 4.667 1.00 0.00 N ATOM 937 CA ARG A 61 -15.554 -2.468 4.317 1.00 0.00 C ATOM 938 C ARG A 61 -16.141 -1.792 5.558 1.00 0.00 C ATOM 939 O ARG A 61 -15.980 -0.588 5.747 1.00 0.00 O ATOM 940 CB ARG A 61 -16.649 -2.616 3.259 1.00 0.00 C ATOM 941 CG ARG A 61 -17.457 -1.323 3.123 1.00 0.00 C ATOM 942 CD ARG A 61 -17.473 -0.837 1.672 1.00 0.00 C ATOM 943 NE ARG A 61 -18.688 -1.331 0.986 1.00 0.00 N ATOM 944 CZ ARG A 61 -19.947 -1.026 1.363 1.00 0.00 C ATOM 945 NH1 ARG A 61 -20.169 -0.224 2.427 1.00 0.00 N ATOM 946 NH2 ARG A 61 -20.959 -1.523 0.677 1.00 0.00 N ATOM 0 H ARG A 61 -15.158 -4.499 3.985 1.00 0.00 H new ATOM 0 HA ARG A 61 -14.751 -1.853 3.910 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -16.200 -2.872 2.299 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -17.313 -3.437 3.529 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -18.478 -1.490 3.466 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -17.028 -0.553 3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -17.447 0.252 1.644 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -16.583 -1.190 1.152 1.00 0.00 H new ATOM 0 HE ARG A 61 -18.566 -1.940 0.177 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -19.382 0.156 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -21.124 0.002 2.705 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -20.783 -2.128 -0.125 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -21.917 -1.302 0.949 1.00 0.00 H new ATOM 959 N ASN A 62 -16.809 -2.597 6.371 1.00 0.00 N ATOM 960 CA ASN A 62 -17.420 -2.092 7.588 1.00 0.00 C ATOM 961 C ASN A 62 -16.342 -1.464 8.473 1.00 0.00 C ATOM 962 O ASN A 62 -16.509 -0.348 8.964 1.00 0.00 O ATOM 963 CB ASN A 62 -18.084 -3.220 8.381 1.00 0.00 C ATOM 964 CG ASN A 62 -19.122 -3.952 7.528 1.00 0.00 C ATOM 965 OD1 ASN A 62 -19.151 -5.169 7.449 1.00 0.00 O ATOM 966 ND2 ASN A 62 -19.969 -3.146 6.896 1.00 0.00 N ATOM 0 H ASN A 62 -16.940 -3.596 6.210 1.00 0.00 H new ATOM 0 HA ASN A 62 -18.174 -1.357 7.306 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -17.326 -3.925 8.722 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.562 -2.811 9.271 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.699 -3.538 6.301 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -19.889 -2.135 7.006 1.00 0.00 H new ATOM 973 N LEU A 63 -15.259 -2.207 8.649 1.00 0.00 N ATOM 974 CA LEU A 63 -14.153 -1.737 9.466 1.00 0.00 C ATOM 975 C LEU A 63 -13.386 -0.655 8.704 1.00 0.00 C ATOM 976 O LEU A 63 -13.072 0.397 9.259 1.00 0.00 O ATOM 977 CB LEU A 63 -13.280 -2.911 9.913 1.00 0.00 C ATOM 978 CG LEU A 63 -12.601 -2.761 11.276 1.00 0.00 C ATOM 979 CD1 LEU A 63 -12.027 -4.097 11.752 1.00 0.00 C ATOM 980 CD2 LEU A 63 -11.538 -1.661 11.241 1.00 0.00 C ATOM 0 H LEU A 63 -15.124 -3.131 8.240 1.00 0.00 H new ATOM 0 HA LEU A 63 -14.524 -1.279 10.383 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -13.897 -3.810 9.933 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.508 -3.071 9.160 1.00 0.00 H new ATOM 0 HG LEU A 63 -13.355 -2.457 12.002 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -11.550 -3.963 12.723 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.831 -4.828 11.841 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.290 -4.454 11.032 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -11.071 -1.575 12.222 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.780 -1.911 10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -12.005 -0.712 10.977 1.00 0.00 H new ATOM 992 N LEU A 64 -13.106 -0.950 7.443 1.00 0.00 N ATOM 993 CA LEU A 64 -12.381 -0.015 6.599 1.00 0.00 C ATOM 994 C LEU A 64 -12.984 1.382 6.758 1.00 0.00 C ATOM 995 O LEU A 64 -12.271 2.382 6.683 1.00 0.00 O ATOM 996 CB LEU A 64 -12.352 -0.512 5.152 1.00 0.00 C ATOM 997 CG LEU A 64 -11.093 -1.270 4.728 1.00 0.00 C ATOM 998 CD1 LEU A 64 -10.122 -0.350 3.986 1.00 0.00 C ATOM 999 CD2 LEU A 64 -10.433 -1.951 5.929 1.00 0.00 C ATOM 0 H LEU A 64 -13.368 -1.823 6.985 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.338 0.051 6.910 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.213 -1.161 4.995 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -12.475 0.346 4.491 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.386 -2.056 4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -9.236 -0.914 3.696 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.607 0.048 3.094 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.831 0.473 4.638 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.540 -2.483 5.600 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -10.156 -1.198 6.667 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -11.132 -2.657 6.376 1.00 0.00 H new ATOM 1011 N ASN A 65 -14.291 1.407 6.973 1.00 0.00 N ATOM 1012 CA ASN A 65 -14.998 2.665 7.143 1.00 0.00 C ATOM 1013 C ASN A 65 -14.298 3.496 8.221 1.00 0.00 C ATOM 1014 O ASN A 65 -14.291 4.724 8.156 1.00 0.00 O ATOM 1015 CB ASN A 65 -16.442 2.429 7.590 1.00 0.00 C ATOM 1016 CG ASN A 65 -17.261 1.776 6.476 1.00 0.00 C ATOM 1017 OD1 ASN A 65 -17.863 0.728 6.645 1.00 0.00 O ATOM 1018 ND2 ASN A 65 -17.251 2.451 5.330 1.00 0.00 N ATOM 0 H ASN A 65 -14.879 0.576 7.033 1.00 0.00 H new ATOM 0 HA ASN A 65 -14.998 3.185 6.185 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.453 1.793 8.475 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -16.898 3.377 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.768 2.097 4.525 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.726 3.322 5.256 1.00 0.00 H new ATOM 1025 N ALA A 66 -13.727 2.793 9.188 1.00 0.00 N ATOM 1026 CA ALA A 66 -13.027 3.450 10.278 1.00 0.00 C ATOM 1027 C ALA A 66 -11.646 3.898 9.796 1.00 0.00 C ATOM 1028 O ALA A 66 -11.059 4.822 10.355 1.00 0.00 O ATOM 1029 CB ALA A 66 -12.947 2.504 11.478 1.00 0.00 C ATOM 0 H ALA A 66 -13.735 1.774 9.239 1.00 0.00 H new ATOM 0 HA ALA A 66 -13.568 4.340 10.600 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.422 2.997 12.296 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.954 2.240 11.801 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -12.408 1.600 11.194 1.00 0.00 H new ATOM 1035 N ALA A 67 -11.168 3.220 8.762 1.00 0.00 N ATOM 1036 CA ALA A 67 -9.867 3.536 8.198 1.00 0.00 C ATOM 1037 C ALA A 67 -9.999 4.744 7.268 1.00 0.00 C ATOM 1038 O ALA A 67 -9.009 5.405 6.958 1.00 0.00 O ATOM 1039 CB ALA A 67 -9.308 2.306 7.480 1.00 0.00 C ATOM 0 H ALA A 67 -11.658 2.454 8.301 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.162 3.801 8.986 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.332 2.544 7.057 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -9.206 1.485 8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -9.988 2.011 6.680 1.00 0.00 H new ATOM 1045 N THR A 68 -11.230 4.995 6.847 1.00 0.00 N ATOM 1046 CA THR A 68 -11.504 6.111 5.959 1.00 0.00 C ATOM 1047 C THR A 68 -12.846 6.757 6.312 1.00 0.00 C ATOM 1048 O THR A 68 -12.887 7.888 6.794 1.00 0.00 O ATOM 1049 CB THR A 68 -11.438 5.597 4.519 1.00 0.00 C ATOM 1050 OG1 THR A 68 -12.310 4.470 4.512 1.00 0.00 O ATOM 1051 CG2 THR A 68 -10.068 5.010 4.170 1.00 0.00 C ATOM 0 H THR A 68 -12.049 4.444 7.105 1.00 0.00 H new ATOM 0 HA THR A 68 -10.759 6.899 6.073 1.00 0.00 H new ATOM 0 HB THR A 68 -11.671 6.411 3.832 1.00 0.00 H new ATOM 0 HG1 THR A 68 -11.840 3.690 4.874 1.00 0.00 H new ATOM 0 HG21 THR A 68 -10.074 4.660 3.138 1.00 0.00 H new ATOM 0 HG22 THR A 68 -9.303 5.777 4.288 1.00 0.00 H new ATOM 0 HG23 THR A 68 -9.850 4.174 4.835 1.00 0.00 H new ATOM 1059 N GLY A 69 -13.911 6.010 6.058 1.00 0.00 N ATOM 1060 CA GLY A 69 -15.250 6.495 6.343 1.00 0.00 C ATOM 1061 C GLY A 69 -16.019 6.773 5.049 1.00 0.00 C ATOM 1062 O GLY A 69 -17.120 7.321 5.083 1.00 0.00 O ATOM 0 H GLY A 69 -13.873 5.072 5.658 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -15.788 5.758 6.939 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.192 7.406 6.939 1.00 0.00 H new ATOM 1066 N LEU A 70 -15.409 6.383 3.940 1.00 0.00 N ATOM 1067 CA LEU A 70 -16.022 6.584 2.638 1.00 0.00 C ATOM 1068 C LEU A 70 -16.747 5.304 2.218 1.00 0.00 C ATOM 1069 O LEU A 70 -16.721 4.307 2.938 1.00 0.00 O ATOM 1070 CB LEU A 70 -14.982 7.062 1.624 1.00 0.00 C ATOM 1071 CG LEU A 70 -13.820 6.105 1.352 1.00 0.00 C ATOM 1072 CD1 LEU A 70 -14.199 5.069 0.293 1.00 0.00 C ATOM 1073 CD2 LEU A 70 -12.552 6.875 0.974 1.00 0.00 C ATOM 0 H LEU A 70 -14.496 5.929 3.916 1.00 0.00 H new ATOM 0 HA LEU A 70 -16.771 7.374 2.688 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.489 7.263 0.680 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.572 8.010 1.973 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.604 5.561 2.271 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -13.355 4.401 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -15.054 4.490 0.641 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -14.458 5.577 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.741 6.171 0.786 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -12.738 7.463 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -12.273 7.540 1.791 1.00 0.00 H new ATOM 1085 N ARG A 71 -17.377 5.373 1.055 1.00 0.00 N ATOM 1086 CA ARG A 71 -18.108 4.232 0.531 1.00 0.00 C ATOM 1087 C ARG A 71 -17.175 3.332 -0.282 1.00 0.00 C ATOM 1088 O ARG A 71 -17.167 3.389 -1.511 1.00 0.00 O ATOM 1089 CB ARG A 71 -19.271 4.682 -0.356 1.00 0.00 C ATOM 1090 CG ARG A 71 -18.846 5.827 -1.277 1.00 0.00 C ATOM 1091 CD ARG A 71 -19.593 5.763 -2.611 1.00 0.00 C ATOM 1092 NE ARG A 71 -19.343 6.996 -3.391 1.00 0.00 N ATOM 1093 CZ ARG A 71 -19.971 7.301 -4.546 1.00 0.00 C ATOM 1094 NH1 ARG A 71 -20.893 6.464 -5.067 1.00 0.00 N ATOM 1095 NH2 ARG A 71 -19.670 8.431 -5.160 1.00 0.00 N ATOM 0 H ARG A 71 -17.396 6.202 0.460 1.00 0.00 H new ATOM 0 HA ARG A 71 -18.507 3.676 1.380 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -19.624 3.841 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -20.106 5.002 0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -19.044 6.782 -0.791 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -17.772 5.776 -1.455 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -19.267 4.891 -3.178 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -20.662 5.646 -2.433 1.00 0.00 H new ATOM 0 HE ARG A 71 -18.653 7.656 -3.033 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -21.120 5.593 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -21.363 6.703 -5.940 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -18.972 9.058 -4.760 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -20.136 8.676 -6.034 1.00 0.00 H new ATOM 1108 N LEU A 72 -16.412 2.522 0.436 1.00 0.00 N ATOM 1109 CA LEU A 72 -15.477 1.611 -0.203 1.00 0.00 C ATOM 1110 C LEU A 72 -16.208 0.816 -1.287 1.00 0.00 C ATOM 1111 O LEU A 72 -17.416 0.603 -1.199 1.00 0.00 O ATOM 1112 CB LEU A 72 -14.785 0.733 0.842 1.00 0.00 C ATOM 1113 CG LEU A 72 -13.479 1.283 1.420 1.00 0.00 C ATOM 1114 CD1 LEU A 72 -13.734 2.045 2.721 1.00 0.00 C ATOM 1115 CD2 LEU A 72 -12.448 0.167 1.602 1.00 0.00 C ATOM 0 H LEU A 72 -16.422 2.477 1.455 1.00 0.00 H new ATOM 0 HA LEU A 72 -14.680 2.167 -0.697 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -15.481 0.564 1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -14.580 -0.239 0.393 1.00 0.00 H new ATOM 0 HG LEU A 72 -13.062 1.994 0.707 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -12.790 2.425 3.111 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -14.409 2.879 2.528 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -14.185 1.375 3.453 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.529 0.584 2.014 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.843 -0.585 2.285 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -12.237 -0.294 0.637 1.00 0.00 H new ATOM 1127 N PRO A 73 -15.423 0.388 -2.313 1.00 0.00 N ATOM 1128 CA PRO A 73 -15.982 -0.378 -3.413 1.00 0.00 C ATOM 1129 C PRO A 73 -16.271 -1.819 -2.987 1.00 0.00 C ATOM 1130 O PRO A 73 -15.558 -2.379 -2.156 1.00 0.00 O ATOM 1131 CB PRO A 73 -14.949 -0.283 -4.524 1.00 0.00 C ATOM 1132 CG PRO A 73 -13.652 0.137 -3.852 1.00 0.00 C ATOM 1133 CD PRO A 73 -13.989 0.622 -2.451 1.00 0.00 C ATOM 0 HA PRO A 73 -16.944 0.009 -3.748 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -14.833 -1.240 -5.033 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -15.252 0.444 -5.278 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.956 -0.701 -3.809 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -13.165 0.928 -4.423 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.424 0.075 -1.696 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.746 1.678 -2.328 1.00 0.00 H new ATOM 1141 N SER A 74 -17.318 -2.378 -3.576 1.00 0.00 N ATOM 1142 CA SER A 74 -17.710 -3.743 -3.267 1.00 0.00 C ATOM 1143 C SER A 74 -16.716 -4.726 -3.889 1.00 0.00 C ATOM 1144 O SER A 74 -16.619 -5.873 -3.457 1.00 0.00 O ATOM 1145 CB SER A 74 -19.127 -4.035 -3.764 1.00 0.00 C ATOM 1146 OG SER A 74 -19.294 -5.403 -4.127 1.00 0.00 O ATOM 0 H SER A 74 -17.907 -1.911 -4.265 1.00 0.00 H new ATOM 0 HA SER A 74 -17.702 -3.864 -2.184 1.00 0.00 H new ATOM 0 HB2 SER A 74 -19.845 -3.776 -2.986 1.00 0.00 H new ATOM 0 HB3 SER A 74 -19.347 -3.402 -4.624 1.00 0.00 H new ATOM 0 HG SER A 74 -20.212 -5.549 -4.438 1.00 0.00 H new ATOM 1152 N THR A 75 -16.002 -4.240 -4.894 1.00 0.00 N ATOM 1153 CA THR A 75 -15.019 -5.061 -5.580 1.00 0.00 C ATOM 1154 C THR A 75 -13.674 -5.000 -4.855 1.00 0.00 C ATOM 1155 O THR A 75 -12.746 -5.732 -5.197 1.00 0.00 O ATOM 1156 CB THR A 75 -14.947 -4.595 -7.035 1.00 0.00 C ATOM 1157 OG1 THR A 75 -14.655 -3.204 -6.940 1.00 0.00 O ATOM 1158 CG2 THR A 75 -16.307 -4.644 -7.734 1.00 0.00 C ATOM 0 H THR A 75 -16.085 -3.288 -5.250 1.00 0.00 H new ATOM 0 HA THR A 75 -15.308 -6.112 -5.574 1.00 0.00 H new ATOM 0 HB THR A 75 -14.237 -5.217 -7.580 1.00 0.00 H new ATOM 0 HG1 THR A 75 -14.589 -2.821 -7.840 1.00 0.00 H new ATOM 0 HG21 THR A 75 -16.199 -4.303 -8.764 1.00 0.00 H new ATOM 0 HG22 THR A 75 -16.683 -5.667 -7.728 1.00 0.00 H new ATOM 0 HG23 THR A 75 -17.009 -3.997 -7.209 1.00 0.00 H new ATOM 1166 N LEU A 76 -13.610 -4.120 -3.866 1.00 0.00 N ATOM 1167 CA LEU A 76 -12.393 -3.954 -3.089 1.00 0.00 C ATOM 1168 C LEU A 76 -11.767 -5.326 -2.830 1.00 0.00 C ATOM 1169 O LEU A 76 -10.624 -5.573 -3.212 1.00 0.00 O ATOM 1170 CB LEU A 76 -12.676 -3.157 -1.814 1.00 0.00 C ATOM 1171 CG LEU A 76 -11.549 -3.123 -0.780 1.00 0.00 C ATOM 1172 CD1 LEU A 76 -11.139 -1.684 -0.462 1.00 0.00 C ATOM 1173 CD2 LEU A 76 -11.937 -3.900 0.479 1.00 0.00 C ATOM 0 H LEU A 76 -14.381 -3.515 -3.585 1.00 0.00 H new ATOM 0 HA LEU A 76 -11.662 -3.370 -3.647 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -12.915 -2.131 -2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -13.565 -3.572 -1.340 1.00 0.00 H new ATOM 0 HG LEU A 76 -10.678 -3.618 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -10.336 -1.689 0.276 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -10.792 -1.195 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -11.996 -1.141 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -11.119 -3.860 1.198 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -12.829 -3.456 0.920 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.140 -4.939 0.218 1.00 0.00 H new ATOM 1185 N VAL A 77 -12.543 -6.182 -2.183 1.00 0.00 N ATOM 1186 CA VAL A 77 -12.079 -7.523 -1.868 1.00 0.00 C ATOM 1187 C VAL A 77 -12.292 -8.429 -3.082 1.00 0.00 C ATOM 1188 O VAL A 77 -12.773 -9.553 -2.945 1.00 0.00 O ATOM 1189 CB VAL A 77 -12.779 -8.037 -0.608 1.00 0.00 C ATOM 1190 CG1 VAL A 77 -12.427 -9.502 -0.345 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -12.439 -7.165 0.602 1.00 0.00 C ATOM 0 H VAL A 77 -13.490 -5.974 -1.868 1.00 0.00 H new ATOM 0 HA VAL A 77 -11.011 -7.516 -1.650 1.00 0.00 H new ATOM 0 HB VAL A 77 -13.855 -7.976 -0.773 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -12.937 -9.843 0.556 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -12.743 -10.110 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -11.350 -9.599 -0.210 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.949 -7.552 1.484 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -11.362 -7.180 0.770 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -12.763 -6.141 0.415 1.00 0.00 H new ATOM 1201 N PHE A 78 -11.923 -7.907 -4.242 1.00 0.00 N ATOM 1202 CA PHE A 78 -12.068 -8.655 -5.480 1.00 0.00 C ATOM 1203 C PHE A 78 -11.050 -8.191 -6.523 1.00 0.00 C ATOM 1204 O PHE A 78 -10.457 -9.010 -7.225 1.00 0.00 O ATOM 1205 CB PHE A 78 -13.479 -8.383 -6.005 1.00 0.00 C ATOM 1206 CG PHE A 78 -14.078 -9.540 -6.807 1.00 0.00 C ATOM 1207 CD1 PHE A 78 -13.560 -9.865 -8.022 1.00 0.00 C ATOM 1208 CD2 PHE A 78 -15.128 -10.244 -6.306 1.00 0.00 C ATOM 1209 CE1 PHE A 78 -14.116 -10.938 -8.767 1.00 0.00 C ATOM 1210 CE2 PHE A 78 -15.684 -11.317 -7.050 1.00 0.00 C ATOM 1211 CZ PHE A 78 -15.166 -11.642 -8.265 1.00 0.00 C ATOM 0 H PHE A 78 -11.524 -6.975 -4.351 1.00 0.00 H new ATOM 0 HA PHE A 78 -11.901 -9.716 -5.295 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -14.133 -8.162 -5.162 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -13.457 -7.492 -6.633 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -12.726 -9.307 -8.420 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -15.539 -9.986 -5.341 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -13.705 -11.195 -9.732 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -16.518 -11.875 -6.652 1.00 0.00 H new ATOM 0 HZ PHE A 78 -15.588 -12.459 -8.831 1.00 0.00 H new ATOM 1221 N ASP A 79 -10.878 -6.879 -6.593 1.00 0.00 N ATOM 1222 CA ASP A 79 -9.942 -6.296 -7.539 1.00 0.00 C ATOM 1223 C ASP A 79 -8.614 -6.020 -6.832 1.00 0.00 C ATOM 1224 O ASP A 79 -7.593 -5.807 -7.483 1.00 0.00 O ATOM 1225 CB ASP A 79 -10.470 -4.969 -8.089 1.00 0.00 C ATOM 1226 CG ASP A 79 -10.121 -4.692 -9.553 1.00 0.00 C ATOM 1227 OD1 ASP A 79 -10.865 -5.072 -10.469 1.00 0.00 O ATOM 1228 OD2 ASP A 79 -9.020 -4.047 -9.739 1.00 0.00 O ATOM 0 H ASP A 79 -11.371 -6.203 -6.010 1.00 0.00 H new ATOM 0 HA ASP A 79 -9.810 -7.000 -8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -11.554 -4.954 -7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -10.077 -4.157 -7.477 1.00 0.00 H new ATOM 1234 N HIS A 80 -8.671 -6.034 -5.508 1.00 0.00 N ATOM 1235 CA HIS A 80 -7.485 -5.788 -4.706 1.00 0.00 C ATOM 1236 C HIS A 80 -6.817 -7.119 -4.355 1.00 0.00 C ATOM 1237 O HIS A 80 -7.389 -7.934 -3.633 1.00 0.00 O ATOM 1238 CB HIS A 80 -7.829 -4.954 -3.470 1.00 0.00 C ATOM 1239 CG HIS A 80 -7.852 -5.743 -2.183 1.00 0.00 C ATOM 1240 ND1 HIS A 80 -8.961 -5.798 -1.356 1.00 0.00 N ATOM 1241 CD2 HIS A 80 -6.892 -6.510 -1.590 1.00 0.00 C ATOM 1242 CE1 HIS A 80 -8.669 -6.564 -0.316 1.00 0.00 C ATOM 1243 NE2 HIS A 80 -7.386 -7.004 -0.462 1.00 0.00 N ATOM 0 H HIS A 80 -9.520 -6.212 -4.971 1.00 0.00 H new ATOM 0 HA HIS A 80 -6.768 -5.202 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -7.103 -4.146 -3.376 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -8.804 -4.490 -3.617 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -9.851 -5.328 -1.520 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.898 -6.685 -1.974 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.331 -6.799 0.504 1.00 0.00 H new ATOM 1251 N PRO A 81 -5.584 -7.303 -4.898 1.00 0.00 N ATOM 1252 CA PRO A 81 -4.832 -8.522 -4.650 1.00 0.00 C ATOM 1253 C PRO A 81 -4.249 -8.528 -3.236 1.00 0.00 C ATOM 1254 O PRO A 81 -4.198 -9.571 -2.586 1.00 0.00 O ATOM 1255 CB PRO A 81 -3.765 -8.553 -5.733 1.00 0.00 C ATOM 1256 CG PRO A 81 -3.664 -7.130 -6.258 1.00 0.00 C ATOM 1257 CD PRO A 81 -4.875 -6.360 -5.758 1.00 0.00 C ATOM 0 HA PRO A 81 -5.453 -9.416 -4.696 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -2.810 -8.890 -5.331 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.037 -9.245 -6.530 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.744 -6.660 -5.912 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -3.633 -7.127 -7.348 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.577 -5.468 -5.207 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.503 -6.029 -6.585 1.00 0.00 H new ATOM 1265 N ASN A 82 -3.823 -7.351 -2.800 1.00 0.00 N ATOM 1266 CA ASN A 82 -3.245 -7.208 -1.475 1.00 0.00 C ATOM 1267 C ASN A 82 -3.714 -5.888 -0.859 1.00 0.00 C ATOM 1268 O ASN A 82 -4.429 -5.120 -1.500 1.00 0.00 O ATOM 1269 CB ASN A 82 -1.717 -7.183 -1.540 1.00 0.00 C ATOM 1270 CG ASN A 82 -1.217 -7.692 -2.894 1.00 0.00 C ATOM 1271 OD1 ASN A 82 -0.949 -6.934 -3.811 1.00 0.00 O ATOM 1272 ND2 ASN A 82 -1.108 -9.016 -2.967 1.00 0.00 N ATOM 0 H ASN A 82 -3.867 -6.488 -3.341 1.00 0.00 H new ATOM 0 HA ASN A 82 -3.566 -8.058 -0.873 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -1.359 -6.167 -1.375 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -1.305 -7.800 -0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -0.783 -9.454 -3.829 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -1.349 -9.593 -2.161 1.00 0.00 H new ATOM 1279 N ALA A 83 -3.291 -5.666 0.377 1.00 0.00 N ATOM 1280 CA ALA A 83 -3.659 -4.453 1.087 1.00 0.00 C ATOM 1281 C ALA A 83 -3.149 -3.238 0.309 1.00 0.00 C ATOM 1282 O ALA A 83 -3.863 -2.247 0.161 1.00 0.00 O ATOM 1283 CB ALA A 83 -3.105 -4.507 2.512 1.00 0.00 C ATOM 0 H ALA A 83 -2.697 -6.306 0.905 1.00 0.00 H new ATOM 0 HA ALA A 83 -4.743 -4.366 1.162 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -3.381 -3.597 3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.520 -5.371 3.031 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.019 -4.592 2.477 1.00 0.00 H new ATOM 1289 N SER A 84 -1.918 -3.354 -0.168 1.00 0.00 N ATOM 1290 CA SER A 84 -1.305 -2.278 -0.927 1.00 0.00 C ATOM 1291 C SER A 84 -2.345 -1.620 -1.836 1.00 0.00 C ATOM 1292 O SER A 84 -2.701 -0.459 -1.638 1.00 0.00 O ATOM 1293 CB SER A 84 -0.125 -2.791 -1.754 1.00 0.00 C ATOM 1294 OG SER A 84 0.255 -4.112 -1.381 1.00 0.00 O ATOM 0 H SER A 84 -1.329 -4.177 -0.043 1.00 0.00 H new ATOM 0 HA SER A 84 -0.926 -1.536 -0.224 1.00 0.00 H new ATOM 0 HB2 SER A 84 -0.389 -2.775 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.725 -2.120 -1.628 1.00 0.00 H new ATOM 0 HG SER A 84 0.276 -4.183 -0.404 1.00 0.00 H new ATOM 1300 N ALA A 85 -2.802 -2.390 -2.813 1.00 0.00 N ATOM 1301 CA ALA A 85 -3.793 -1.896 -3.753 1.00 0.00 C ATOM 1302 C ALA A 85 -4.922 -1.208 -2.982 1.00 0.00 C ATOM 1303 O ALA A 85 -5.240 -0.049 -3.244 1.00 0.00 O ATOM 1304 CB ALA A 85 -4.298 -3.053 -4.617 1.00 0.00 C ATOM 0 H ALA A 85 -2.504 -3.352 -2.974 1.00 0.00 H new ATOM 0 HA ALA A 85 -3.353 -1.157 -4.422 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -5.042 -2.683 -5.323 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -3.463 -3.489 -5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -4.750 -3.813 -3.979 1.00 0.00 H new ATOM 1310 N VAL A 86 -5.496 -1.951 -2.048 1.00 0.00 N ATOM 1311 CA VAL A 86 -6.583 -1.427 -1.238 1.00 0.00 C ATOM 1312 C VAL A 86 -6.220 -0.022 -0.753 1.00 0.00 C ATOM 1313 O VAL A 86 -7.074 0.861 -0.703 1.00 0.00 O ATOM 1314 CB VAL A 86 -6.894 -2.393 -0.092 1.00 0.00 C ATOM 1315 CG1 VAL A 86 -7.185 -1.631 1.202 1.00 0.00 C ATOM 1316 CG2 VAL A 86 -8.056 -3.319 -0.457 1.00 0.00 C ATOM 0 H VAL A 86 -5.229 -2.912 -1.834 1.00 0.00 H new ATOM 0 HA VAL A 86 -7.494 -1.342 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 86 -6.012 -3.012 0.075 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -7.403 -2.340 2.001 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.316 -1.033 1.475 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -8.044 -0.977 1.054 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -8.257 -3.995 0.374 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -8.945 -2.723 -0.663 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -7.795 -3.899 -1.342 1.00 0.00 H new ATOM 1326 N ALA A 87 -4.951 0.141 -0.409 1.00 0.00 N ATOM 1327 CA ALA A 87 -4.465 1.424 0.070 1.00 0.00 C ATOM 1328 C ALA A 87 -4.700 2.487 -1.004 1.00 0.00 C ATOM 1329 O ALA A 87 -5.146 3.593 -0.702 1.00 0.00 O ATOM 1330 CB ALA A 87 -2.989 1.300 0.454 1.00 0.00 C ATOM 0 H ALA A 87 -4.245 -0.594 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 87 -5.010 1.731 0.963 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -2.624 2.262 0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -2.879 0.554 1.241 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -2.410 0.996 -0.418 1.00 0.00 H new ATOM 1336 N GLY A 88 -4.389 2.115 -2.238 1.00 0.00 N ATOM 1337 CA GLY A 88 -4.561 3.023 -3.359 1.00 0.00 C ATOM 1338 C GLY A 88 -6.038 3.362 -3.568 1.00 0.00 C ATOM 1339 O GLY A 88 -6.439 4.518 -3.436 1.00 0.00 O ATOM 0 H GLY A 88 -4.019 1.197 -2.485 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -3.996 3.938 -3.181 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -4.157 2.570 -4.264 1.00 0.00 H new ATOM 1343 N PHE A 89 -6.809 2.334 -3.891 1.00 0.00 N ATOM 1344 CA PHE A 89 -8.233 2.508 -4.120 1.00 0.00 C ATOM 1345 C PHE A 89 -8.832 3.496 -3.118 1.00 0.00 C ATOM 1346 O PHE A 89 -9.735 4.260 -3.457 1.00 0.00 O ATOM 1347 CB PHE A 89 -8.888 1.140 -3.924 1.00 0.00 C ATOM 1348 CG PHE A 89 -9.898 0.772 -5.013 1.00 0.00 C ATOM 1349 CD1 PHE A 89 -10.914 1.624 -5.314 1.00 0.00 C ATOM 1350 CD2 PHE A 89 -9.781 -0.408 -5.679 1.00 0.00 C ATOM 1351 CE1 PHE A 89 -11.852 1.283 -6.324 1.00 0.00 C ATOM 1352 CE2 PHE A 89 -10.719 -0.750 -6.689 1.00 0.00 C ATOM 1353 CZ PHE A 89 -11.734 0.103 -6.991 1.00 0.00 C ATOM 0 H PHE A 89 -6.474 1.377 -4.000 1.00 0.00 H new ATOM 0 HA PHE A 89 -8.404 2.900 -5.123 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -8.110 0.377 -3.892 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -9.390 1.124 -2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -11.008 2.561 -4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -8.974 -1.085 -5.440 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -12.659 1.960 -6.563 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -10.626 -1.687 -7.217 1.00 0.00 H new ATOM 0 HZ PHE A 89 -12.446 -0.156 -7.760 1.00 0.00 H new ATOM 1363 N LEU A 90 -8.307 3.449 -1.902 1.00 0.00 N ATOM 1364 CA LEU A 90 -8.779 4.330 -0.848 1.00 0.00 C ATOM 1365 C LEU A 90 -8.108 5.697 -0.994 1.00 0.00 C ATOM 1366 O LEU A 90 -8.784 6.724 -1.030 1.00 0.00 O ATOM 1367 CB LEU A 90 -8.569 3.685 0.523 1.00 0.00 C ATOM 1368 CG LEU A 90 -9.697 2.775 1.016 1.00 0.00 C ATOM 1369 CD1 LEU A 90 -10.996 3.561 1.197 1.00 0.00 C ATOM 1370 CD2 LEU A 90 -9.878 1.574 0.085 1.00 0.00 C ATOM 0 H LEU A 90 -7.559 2.814 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 90 -9.853 4.491 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -7.647 3.104 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -8.421 4.478 1.257 1.00 0.00 H new ATOM 0 HG LEU A 90 -9.419 2.385 1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -11.781 2.891 1.548 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -10.842 4.354 1.929 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.292 3.999 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.685 0.943 0.457 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -10.124 1.924 -0.917 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -8.954 0.998 0.051 1.00 0.00 H new ATOM 1382 N ASP A 91 -6.785 5.666 -1.073 1.00 0.00 N ATOM 1383 CA ASP A 91 -6.015 6.890 -1.214 1.00 0.00 C ATOM 1384 C ASP A 91 -6.553 7.693 -2.400 1.00 0.00 C ATOM 1385 O ASP A 91 -6.811 8.889 -2.279 1.00 0.00 O ATOM 1386 CB ASP A 91 -4.540 6.585 -1.479 1.00 0.00 C ATOM 1387 CG ASP A 91 -3.552 7.569 -0.848 1.00 0.00 C ATOM 1388 OD1 ASP A 91 -2.745 7.198 0.017 1.00 0.00 O ATOM 1389 OD2 ASP A 91 -3.635 8.780 -1.285 1.00 0.00 O ATOM 0 H ASP A 91 -6.227 4.812 -1.042 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.105 7.454 -0.286 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -4.319 5.584 -1.108 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.376 6.569 -2.556 1.00 0.00 H new ATOM 1395 N ALA A 92 -6.706 7.001 -3.520 1.00 0.00 N ATOM 1396 CA ALA A 92 -7.209 7.635 -4.727 1.00 0.00 C ATOM 1397 C ALA A 92 -8.569 8.272 -4.436 1.00 0.00 C ATOM 1398 O ALA A 92 -8.872 9.354 -4.938 1.00 0.00 O ATOM 1399 CB ALA A 92 -7.279 6.602 -5.854 1.00 0.00 C ATOM 0 H ALA A 92 -6.491 6.009 -3.617 1.00 0.00 H new ATOM 0 HA ALA A 92 -6.536 8.429 -5.052 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -7.656 7.077 -6.760 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -6.283 6.201 -6.042 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -7.948 5.792 -5.564 1.00 0.00 H new ATOM 1405 N GLU A 93 -9.352 7.576 -3.625 1.00 0.00 N ATOM 1406 CA GLU A 93 -10.672 8.061 -3.260 1.00 0.00 C ATOM 1407 C GLU A 93 -10.563 9.122 -2.164 1.00 0.00 C ATOM 1408 O GLU A 93 -11.479 9.922 -1.977 1.00 0.00 O ATOM 1409 CB GLU A 93 -11.577 6.908 -2.820 1.00 0.00 C ATOM 1410 CG GLU A 93 -12.956 7.423 -2.401 1.00 0.00 C ATOM 1411 CD GLU A 93 -14.067 6.692 -3.157 1.00 0.00 C ATOM 1412 OE1 GLU A 93 -14.349 7.023 -4.318 1.00 0.00 O ATOM 1413 OE2 GLU A 93 -14.645 5.747 -2.496 1.00 0.00 O ATOM 0 H GLU A 93 -9.097 6.680 -3.210 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.125 8.520 -4.139 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -11.684 6.193 -3.636 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -11.115 6.376 -1.988 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -13.089 7.284 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -13.023 8.494 -2.595 1.00 0.00 H new ATOM 1421 N LEU A 94 -9.437 9.094 -1.467 1.00 0.00 N ATOM 1422 CA LEU A 94 -9.197 10.044 -0.394 1.00 0.00 C ATOM 1423 C LEU A 94 -8.726 11.372 -0.991 1.00 0.00 C ATOM 1424 O LEU A 94 -8.980 12.435 -0.425 1.00 0.00 O ATOM 1425 CB LEU A 94 -8.231 9.456 0.636 1.00 0.00 C ATOM 1426 CG LEU A 94 -8.828 8.441 1.613 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -7.729 7.725 2.400 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -9.854 9.105 2.534 1.00 0.00 C ATOM 0 H LEU A 94 -8.680 8.428 -1.624 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.120 10.247 0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.410 8.977 0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -7.802 10.276 1.212 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.357 7.682 1.037 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.181 7.009 3.087 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -7.071 7.199 1.709 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.151 8.456 2.966 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.263 8.362 3.218 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -9.371 9.898 3.105 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -10.660 9.529 1.935 1.00 0.00 H new ATOM 1440 N GLY A 95 -8.049 11.268 -2.125 1.00 0.00 N ATOM 1441 CA GLY A 95 -7.541 12.448 -2.804 1.00 0.00 C ATOM 1442 C GLY A 95 -8.485 12.885 -3.925 1.00 0.00 C ATOM 1443 O GLY A 95 -8.284 13.932 -4.538 1.00 0.00 O ATOM 0 H GLY A 95 -7.840 10.385 -2.591 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -7.421 13.261 -2.088 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -6.554 12.238 -3.216 1.00 0.00 H new