USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 652 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 20 SER OG : rot 30:sc= 0.274 USER MOD Single : A 24 GLN : amide:sc= -19.7! C(o=-20!,f=-16!) USER MOD Single : A 34 HIS : no HE2:sc= -2.62! C(o=-2.6!,f=-5.6!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0242 USER MOD Single : A 39 HIS : no HD1:sc= -3.47! K(o=-3.5!,f=-2.7) USER MOD Single : A 45 GLN : amide:sc= -7.21! C(o=-7.2!,f=-9.5!) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 ASN : amide:sc= -3.22! K(o=-3.2!,f=-0.18) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.24) USER MOD Single : A 62 TYR OH : rot 150:sc= 0.364 USER MOD Single : A 71 MET CE :methyl 158:sc= -0.506 (180deg=-1.37) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 CYS SG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= -2.22! K(o=-2.2!,f=-0.12) USER MOD Single : A 89 HIS : no HD1:sc= -4.26! C(o=-4.3!,f=-7!) USER MOD Single : A 94 SER OG : rot 60:sc= 0.344 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.00016) USER MOD ----------------------------------------------------------------- ATOM 235 N ILE A 14 107.327 4.105 -2.647 1.00 0.00 N ATOM 236 CA ILE A 14 106.789 4.051 -4.004 1.00 0.00 C ATOM 237 C ILE A 14 105.327 4.469 -4.014 1.00 0.00 C ATOM 238 O ILE A 14 104.441 3.655 -3.755 1.00 0.00 O ATOM 239 CB ILE A 14 106.903 2.628 -4.548 1.00 0.00 C ATOM 240 CG1 ILE A 14 108.362 2.158 -4.471 1.00 0.00 C ATOM 241 CG2 ILE A 14 106.422 2.591 -6.000 1.00 0.00 C ATOM 242 CD1 ILE A 14 109.280 3.152 -5.191 1.00 0.00 C ATOM 0 HA ILE A 14 107.362 4.736 -4.630 1.00 0.00 H new ATOM 0 HB ILE A 14 106.282 1.963 -3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 14 108.666 2.062 -3.429 1.00 0.00 H new ATOM 0 HG13 ILE A 14 108.458 1.171 -4.923 1.00 0.00 H new ATOM 0 HG21 ILE A 14 106.505 1.575 -6.385 1.00 0.00 H new ATOM 0 HG22 ILE A 14 105.382 2.913 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 14 107.036 3.259 -6.604 1.00 0.00 H new ATOM 0 HD11 ILE A 14 110.312 2.806 -5.128 1.00 0.00 H new ATOM 0 HD12 ILE A 14 108.985 3.227 -6.238 1.00 0.00 H new ATOM 0 HD13 ILE A 14 109.197 4.131 -4.720 1.00 0.00 H new ATOM 254 N ALA A 15 105.072 5.736 -4.318 1.00 0.00 N ATOM 255 CA ALA A 15 103.702 6.226 -4.356 1.00 0.00 C ATOM 256 C ALA A 15 103.136 6.149 -5.765 1.00 0.00 C ATOM 257 O ALA A 15 103.638 6.786 -6.691 1.00 0.00 O ATOM 258 CB ALA A 15 103.649 7.678 -3.882 1.00 0.00 C ATOM 0 H ALA A 15 105.784 6.432 -4.538 1.00 0.00 H new ATOM 0 HA ALA A 15 103.105 5.597 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 15 102.619 8.034 -3.915 1.00 0.00 H new ATOM 0 HB2 ALA A 15 104.022 7.741 -2.860 1.00 0.00 H new ATOM 0 HB3 ALA A 15 104.267 8.296 -4.533 1.00 0.00 H new ATOM 264 N PHE A 16 102.060 5.389 -5.900 1.00 0.00 N ATOM 265 CA PHE A 16 101.373 5.242 -7.171 1.00 0.00 C ATOM 266 C PHE A 16 99.899 4.991 -6.897 1.00 0.00 C ATOM 267 O PHE A 16 99.539 4.561 -5.802 1.00 0.00 O ATOM 268 CB PHE A 16 101.985 4.103 -7.994 1.00 0.00 C ATOM 269 CG PHE A 16 101.683 2.765 -7.362 1.00 0.00 C ATOM 270 CD1 PHE A 16 102.207 2.447 -6.103 1.00 0.00 C ATOM 271 CD2 PHE A 16 100.895 1.831 -8.047 1.00 0.00 C ATOM 272 CE1 PHE A 16 101.939 1.200 -5.530 1.00 0.00 C ATOM 273 CE2 PHE A 16 100.631 0.583 -7.474 1.00 0.00 C ATOM 274 CZ PHE A 16 101.153 0.267 -6.216 1.00 0.00 C ATOM 0 H PHE A 16 101.641 4.860 -5.135 1.00 0.00 H new ATOM 0 HA PHE A 16 101.483 6.154 -7.757 1.00 0.00 H new ATOM 0 HB2 PHE A 16 101.590 4.128 -9.009 1.00 0.00 H new ATOM 0 HB3 PHE A 16 103.064 4.240 -8.068 1.00 0.00 H new ATOM 0 HD1 PHE A 16 102.818 3.164 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 16 100.491 2.075 -9.018 1.00 0.00 H new ATOM 0 HE1 PHE A 16 102.339 0.956 -4.557 1.00 0.00 H new ATOM 0 HE2 PHE A 16 100.024 -0.137 -8.003 1.00 0.00 H new ATOM 0 HZ PHE A 16 100.950 -0.697 -5.774 1.00 0.00 H new ATOM 284 N ASP A 17 99.038 5.265 -7.866 1.00 0.00 N ATOM 285 CA ASP A 17 97.609 5.063 -7.656 1.00 0.00 C ATOM 286 C ASP A 17 97.172 3.703 -8.188 1.00 0.00 C ATOM 287 O ASP A 17 97.696 3.220 -9.192 1.00 0.00 O ATOM 288 CB ASP A 17 96.819 6.164 -8.364 1.00 0.00 C ATOM 289 CG ASP A 17 96.976 6.029 -9.875 1.00 0.00 C ATOM 290 OD1 ASP A 17 98.060 5.675 -10.308 1.00 0.00 O ATOM 291 OD2 ASP A 17 96.011 6.282 -10.576 1.00 0.00 O ATOM 0 H ASP A 17 99.294 5.620 -8.787 1.00 0.00 H new ATOM 0 HA ASP A 17 97.411 5.101 -6.585 1.00 0.00 H new ATOM 0 HB2 ASP A 17 95.765 6.099 -8.092 1.00 0.00 H new ATOM 0 HB3 ASP A 17 97.172 7.143 -8.039 1.00 0.00 H new ATOM 296 N ALA A 18 96.204 3.098 -7.512 1.00 0.00 N ATOM 297 CA ALA A 18 95.689 1.799 -7.923 1.00 0.00 C ATOM 298 C ALA A 18 94.573 1.365 -6.982 1.00 0.00 C ATOM 299 O ALA A 18 94.264 2.056 -6.012 1.00 0.00 O ATOM 300 CB ALA A 18 96.808 0.753 -7.930 1.00 0.00 C ATOM 0 H ALA A 18 95.761 3.485 -6.679 1.00 0.00 H new ATOM 0 HA ALA A 18 95.292 1.885 -8.935 1.00 0.00 H new ATOM 0 HB1 ALA A 18 96.403 -0.211 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 18 97.588 1.060 -8.627 1.00 0.00 H new ATOM 0 HB3 ALA A 18 97.230 0.665 -6.929 1.00 0.00 H new ATOM 306 N ASP A 19 93.967 0.221 -7.273 1.00 0.00 N ATOM 307 CA ASP A 19 92.880 -0.281 -6.439 1.00 0.00 C ATOM 308 C ASP A 19 93.399 -1.292 -5.426 1.00 0.00 C ATOM 309 O ASP A 19 94.143 -2.208 -5.777 1.00 0.00 O ATOM 310 CB ASP A 19 91.806 -0.933 -7.311 1.00 0.00 C ATOM 311 CG ASP A 19 90.536 -1.150 -6.497 1.00 0.00 C ATOM 312 OD1 ASP A 19 90.649 -1.340 -5.297 1.00 0.00 O ATOM 313 OD2 ASP A 19 89.467 -1.124 -7.085 1.00 0.00 O ATOM 0 H ASP A 19 94.205 -0.371 -8.069 1.00 0.00 H new ATOM 0 HA ASP A 19 92.447 0.562 -5.901 1.00 0.00 H new ATOM 0 HB2 ASP A 19 91.592 -0.301 -8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 19 92.168 -1.886 -7.697 1.00 0.00 H new ATOM 318 N SER A 20 92.983 -1.137 -4.172 1.00 0.00 N ATOM 319 CA SER A 20 93.395 -2.063 -3.126 1.00 0.00 C ATOM 320 C SER A 20 92.186 -2.492 -2.299 1.00 0.00 C ATOM 321 O SER A 20 91.218 -1.752 -2.151 1.00 0.00 O ATOM 322 CB SER A 20 94.444 -1.414 -2.224 1.00 0.00 C ATOM 323 OG SER A 20 94.102 -0.050 -2.016 1.00 0.00 O ATOM 0 H SER A 20 92.367 -0.386 -3.859 1.00 0.00 H new ATOM 0 HA SER A 20 93.834 -2.944 -3.594 1.00 0.00 H new ATOM 0 HB2 SER A 20 94.495 -1.938 -1.270 1.00 0.00 H new ATOM 0 HB3 SER A 20 95.431 -1.488 -2.681 1.00 0.00 H new ATOM 0 HG SER A 20 93.129 0.054 -2.064 1.00 0.00 H new ATOM 329 N GLU A 21 92.262 -3.701 -1.765 1.00 0.00 N ATOM 330 CA GLU A 21 91.187 -4.251 -0.945 1.00 0.00 C ATOM 331 C GLU A 21 91.774 -4.773 0.351 1.00 0.00 C ATOM 332 O GLU A 21 92.814 -5.431 0.344 1.00 0.00 O ATOM 333 CB GLU A 21 90.490 -5.401 -1.683 1.00 0.00 C ATOM 334 CG GLU A 21 90.017 -4.936 -3.069 1.00 0.00 C ATOM 335 CD GLU A 21 88.656 -4.255 -2.966 1.00 0.00 C ATOM 336 OE1 GLU A 21 87.900 -4.609 -2.076 1.00 0.00 O ATOM 337 OE2 GLU A 21 88.388 -3.391 -3.784 1.00 0.00 O ATOM 0 H GLU A 21 93.060 -4.325 -1.884 1.00 0.00 H new ATOM 0 HA GLU A 21 90.457 -3.468 -0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 21 91.175 -6.243 -1.788 1.00 0.00 H new ATOM 0 HB3 GLU A 21 89.639 -5.753 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 21 90.745 -4.246 -3.496 1.00 0.00 H new ATOM 0 HG3 GLU A 21 89.953 -5.790 -3.744 1.00 0.00 H new ATOM 344 N ILE A 22 91.117 -4.474 1.464 1.00 0.00 N ATOM 345 CA ILE A 22 91.616 -4.930 2.756 1.00 0.00 C ATOM 346 C ILE A 22 90.611 -5.865 3.412 1.00 0.00 C ATOM 347 O ILE A 22 89.416 -5.616 3.408 1.00 0.00 O ATOM 348 CB ILE A 22 91.895 -3.730 3.660 1.00 0.00 C ATOM 349 CG1 ILE A 22 93.078 -2.911 3.091 1.00 0.00 C ATOM 350 CG2 ILE A 22 92.201 -4.223 5.080 1.00 0.00 C ATOM 351 CD1 ILE A 22 94.307 -2.997 4.007 1.00 0.00 C ATOM 0 H ILE A 22 90.255 -3.929 1.501 1.00 0.00 H new ATOM 0 HA ILE A 22 92.545 -5.478 2.601 1.00 0.00 H new ATOM 0 HB ILE A 22 91.019 -3.083 3.698 1.00 0.00 H new ATOM 0 HG12 ILE A 22 93.335 -3.281 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 22 92.780 -1.869 2.976 1.00 0.00 H new ATOM 0 HG21 ILE A 22 92.400 -3.369 5.727 1.00 0.00 H new ATOM 0 HG22 ILE A 22 91.345 -4.778 5.465 1.00 0.00 H new ATOM 0 HG23 ILE A 22 93.075 -4.874 5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 22 95.121 -2.411 3.580 1.00 0.00 H new ATOM 0 HD12 ILE A 22 94.055 -2.604 4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 22 94.619 -4.037 4.101 1.00 0.00 H new ATOM 363 N LEU A 23 91.123 -6.956 3.967 1.00 0.00 N ATOM 364 CA LEU A 23 90.287 -7.956 4.618 1.00 0.00 C ATOM 365 C LEU A 23 90.751 -8.213 6.043 1.00 0.00 C ATOM 366 O LEU A 23 91.894 -8.600 6.279 1.00 0.00 O ATOM 367 CB LEU A 23 90.354 -9.268 3.827 1.00 0.00 C ATOM 368 CG LEU A 23 90.579 -8.959 2.342 1.00 0.00 C ATOM 369 CD1 LEU A 23 92.080 -8.862 2.048 1.00 0.00 C ATOM 370 CD2 LEU A 23 89.963 -10.072 1.487 1.00 0.00 C ATOM 0 H LEU A 23 92.120 -7.171 3.979 1.00 0.00 H new ATOM 0 HA LEU A 23 89.264 -7.581 4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 23 91.163 -9.893 4.206 1.00 0.00 H new ATOM 0 HB3 LEU A 23 89.429 -9.831 3.956 1.00 0.00 H new ATOM 0 HG LEU A 23 90.105 -8.008 2.101 1.00 0.00 H new ATOM 0 HD11 LEU A 23 92.230 -8.642 0.991 1.00 0.00 H new ATOM 0 HD12 LEU A 23 92.518 -8.066 2.650 1.00 0.00 H new ATOM 0 HD13 LEU A 23 92.561 -9.809 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 23 90.124 -9.851 0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 23 90.434 -11.024 1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 23 88.893 -10.134 1.686 1.00 0.00 H new ATOM 382 N GLN A 24 89.836 -8.025 6.980 1.00 0.00 N ATOM 383 CA GLN A 24 90.133 -8.268 8.391 1.00 0.00 C ATOM 384 C GLN A 24 89.048 -9.148 8.994 1.00 0.00 C ATOM 385 O GLN A 24 87.944 -8.681 9.273 1.00 0.00 O ATOM 386 CB GLN A 24 90.211 -6.951 9.170 1.00 0.00 C ATOM 387 CG GLN A 24 90.302 -7.257 10.673 1.00 0.00 C ATOM 388 CD GLN A 24 90.906 -6.074 11.424 1.00 0.00 C ATOM 389 OE1 GLN A 24 92.125 -5.907 11.445 1.00 0.00 O ATOM 390 NE2 GLN A 24 90.120 -5.243 12.052 1.00 0.00 N ATOM 0 H GLN A 24 88.885 -7.707 6.795 1.00 0.00 H new ATOM 0 HA GLN A 24 91.099 -8.768 8.458 1.00 0.00 H new ATOM 0 HB2 GLN A 24 91.081 -6.377 8.850 1.00 0.00 H new ATOM 0 HB3 GLN A 24 89.332 -6.340 8.964 1.00 0.00 H new ATOM 0 HG2 GLN A 24 89.309 -7.476 11.066 1.00 0.00 H new ATOM 0 HG3 GLN A 24 90.912 -8.146 10.833 1.00 0.00 H new ATOM 0 HE21 GLN A 24 89.110 -5.383 12.033 1.00 0.00 H new ATOM 0 HE22 GLN A 24 90.516 -4.453 12.562 1.00 0.00 H new ATOM 399 N GLY A 25 89.355 -10.429 9.169 1.00 0.00 N ATOM 400 CA GLY A 25 88.377 -11.358 9.712 1.00 0.00 C ATOM 401 C GLY A 25 87.389 -11.755 8.625 1.00 0.00 C ATOM 402 O GLY A 25 87.789 -12.169 7.537 1.00 0.00 O ATOM 0 H GLY A 25 90.261 -10.841 8.946 1.00 0.00 H new ATOM 0 HA2 GLY A 25 88.879 -12.243 10.102 1.00 0.00 H new ATOM 0 HA3 GLY A 25 87.849 -10.898 10.547 1.00 0.00 H new ATOM 406 N GLU A 26 86.101 -11.618 8.915 1.00 0.00 N ATOM 407 CA GLU A 26 85.070 -11.958 7.942 1.00 0.00 C ATOM 408 C GLU A 26 84.552 -10.698 7.254 1.00 0.00 C ATOM 409 O GLU A 26 83.538 -10.736 6.556 1.00 0.00 O ATOM 410 CB GLU A 26 83.913 -12.681 8.641 1.00 0.00 C ATOM 411 CG GLU A 26 83.329 -11.792 9.751 1.00 0.00 C ATOM 412 CD GLU A 26 82.243 -10.876 9.191 1.00 0.00 C ATOM 413 OE1 GLU A 26 81.820 -11.098 8.069 1.00 0.00 O ATOM 414 OE2 GLU A 26 81.846 -9.965 9.899 1.00 0.00 O ATOM 0 H GLU A 26 85.747 -11.277 9.809 1.00 0.00 H new ATOM 0 HA GLU A 26 85.503 -12.616 7.189 1.00 0.00 H new ATOM 0 HB2 GLU A 26 83.137 -12.928 7.916 1.00 0.00 H new ATOM 0 HB3 GLU A 26 84.265 -13.622 9.065 1.00 0.00 H new ATOM 0 HG2 GLU A 26 82.914 -12.415 10.543 1.00 0.00 H new ATOM 0 HG3 GLU A 26 84.122 -11.193 10.199 1.00 0.00 H new ATOM 421 N ARG A 27 85.249 -9.580 7.459 1.00 0.00 N ATOM 422 CA ARG A 27 84.839 -8.313 6.858 1.00 0.00 C ATOM 423 C ARG A 27 85.810 -7.857 5.779 1.00 0.00 C ATOM 424 O ARG A 27 87.024 -7.839 5.984 1.00 0.00 O ATOM 425 CB ARG A 27 84.766 -7.226 7.927 1.00 0.00 C ATOM 426 CG ARG A 27 83.809 -7.655 9.046 1.00 0.00 C ATOM 427 CD ARG A 27 84.619 -8.045 10.278 1.00 0.00 C ATOM 428 NE ARG A 27 83.734 -8.521 11.335 1.00 0.00 N ATOM 429 CZ ARG A 27 83.081 -7.669 12.120 1.00 0.00 C ATOM 430 NH1 ARG A 27 83.230 -6.383 11.953 1.00 0.00 N ATOM 431 NH2 ARG A 27 82.290 -8.117 13.057 1.00 0.00 N ATOM 0 H ARG A 27 86.092 -9.526 8.031 1.00 0.00 H new ATOM 0 HA ARG A 27 83.861 -8.476 6.406 1.00 0.00 H new ATOM 0 HB2 ARG A 27 85.759 -7.041 8.337 1.00 0.00 H new ATOM 0 HB3 ARG A 27 84.424 -6.291 7.484 1.00 0.00 H new ATOM 0 HG2 ARG A 27 83.126 -6.841 9.288 1.00 0.00 H new ATOM 0 HG3 ARG A 27 83.199 -8.496 8.716 1.00 0.00 H new ATOM 0 HD2 ARG A 27 85.338 -8.822 10.018 1.00 0.00 H new ATOM 0 HD3 ARG A 27 85.191 -7.187 10.632 1.00 0.00 H new ATOM 0 HE ARG A 27 83.614 -9.524 11.474 1.00 0.00 H new ATOM 0 HH11 ARG A 27 83.847 -6.032 11.221 1.00 0.00 H new ATOM 0 HH12 ARG A 27 82.729 -5.729 12.555 1.00 0.00 H new ATOM 0 HH21 ARG A 27 82.172 -9.122 13.188 1.00 0.00 H new ATOM 0 HH22 ARG A 27 81.790 -7.462 13.658 1.00 0.00 H new ATOM 445 N ARG A 28 85.262 -7.474 4.636 1.00 0.00 N ATOM 446 CA ARG A 28 86.073 -6.996 3.518 1.00 0.00 C ATOM 447 C ARG A 28 85.566 -5.643 3.058 1.00 0.00 C ATOM 448 O ARG A 28 84.371 -5.355 3.125 1.00 0.00 O ATOM 449 CB ARG A 28 86.010 -7.997 2.357 1.00 0.00 C ATOM 450 CG ARG A 28 87.022 -7.612 1.263 1.00 0.00 C ATOM 451 CD ARG A 28 86.471 -7.997 -0.115 1.00 0.00 C ATOM 452 NE ARG A 28 87.558 -8.078 -1.091 1.00 0.00 N ATOM 453 CZ ARG A 28 87.542 -8.974 -2.075 1.00 0.00 C ATOM 454 NH1 ARG A 28 86.540 -9.803 -2.195 1.00 0.00 N ATOM 455 NH2 ARG A 28 88.532 -9.023 -2.924 1.00 0.00 N ATOM 0 H ARG A 28 84.258 -7.484 4.454 1.00 0.00 H new ATOM 0 HA ARG A 28 87.108 -6.899 3.846 1.00 0.00 H new ATOM 0 HB2 ARG A 28 86.224 -9.002 2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 28 85.003 -8.017 1.940 1.00 0.00 H new ATOM 0 HG2 ARG A 28 87.220 -6.541 1.299 1.00 0.00 H new ATOM 0 HG3 ARG A 28 87.971 -8.118 1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 28 85.956 -8.956 -0.054 1.00 0.00 H new ATOM 0 HD3 ARG A 28 85.736 -7.260 -0.439 1.00 0.00 H new ATOM 0 HE ARG A 28 88.345 -7.434 -1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 28 85.765 -9.766 -1.533 1.00 0.00 H new ATOM 0 HH12 ARG A 28 86.532 -10.488 -2.951 1.00 0.00 H new ATOM 0 HH21 ARG A 28 89.315 -8.376 -2.832 1.00 0.00 H new ATOM 0 HH22 ARG A 28 88.523 -9.709 -3.679 1.00 0.00 H new ATOM 469 N TRP A 29 86.491 -4.811 2.608 1.00 0.00 N ATOM 470 CA TRP A 29 86.160 -3.478 2.153 1.00 0.00 C ATOM 471 C TRP A 29 87.049 -3.079 0.979 1.00 0.00 C ATOM 472 O TRP A 29 88.159 -3.587 0.822 1.00 0.00 O ATOM 473 CB TRP A 29 86.384 -2.496 3.293 1.00 0.00 C ATOM 474 CG TRP A 29 85.588 -2.891 4.491 1.00 0.00 C ATOM 475 CD1 TRP A 29 84.245 -2.817 4.593 1.00 0.00 C ATOM 476 CD2 TRP A 29 86.073 -3.406 5.760 1.00 0.00 C ATOM 477 NE1 TRP A 29 83.870 -3.242 5.858 1.00 0.00 N ATOM 478 CE2 TRP A 29 84.968 -3.616 6.614 1.00 0.00 C ATOM 479 CE3 TRP A 29 87.357 -3.702 6.244 1.00 0.00 C ATOM 480 CZ2 TRP A 29 85.136 -4.104 7.913 1.00 0.00 C ATOM 481 CZ3 TRP A 29 87.531 -4.194 7.548 1.00 0.00 C ATOM 482 CH2 TRP A 29 86.422 -4.393 8.383 1.00 0.00 C ATOM 0 H TRP A 29 87.483 -5.041 2.549 1.00 0.00 H new ATOM 0 HA TRP A 29 85.118 -3.463 1.833 1.00 0.00 H new ATOM 0 HB2 TRP A 29 87.443 -2.463 3.548 1.00 0.00 H new ATOM 0 HB3 TRP A 29 86.101 -1.492 2.976 1.00 0.00 H new ATOM 0 HD1 TRP A 29 83.573 -2.482 3.817 1.00 0.00 H new ATOM 0 HE1 TRP A 29 82.906 -3.275 6.190 1.00 0.00 H new ATOM 0 HE3 TRP A 29 88.217 -3.550 5.609 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 84.278 -4.257 8.551 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 88.523 -4.420 7.909 1.00 0.00 H new ATOM 0 HH2 TRP A 29 86.560 -4.768 9.386 1.00 0.00 H new ATOM 493 N GLU A 30 86.548 -2.160 0.161 1.00 0.00 N ATOM 494 CA GLU A 30 87.293 -1.683 -0.997 1.00 0.00 C ATOM 495 C GLU A 30 87.943 -0.339 -0.680 1.00 0.00 C ATOM 496 O GLU A 30 87.273 0.581 -0.209 1.00 0.00 O ATOM 497 CB GLU A 30 86.343 -1.524 -2.194 1.00 0.00 C ATOM 498 CG GLU A 30 85.137 -2.453 -2.021 1.00 0.00 C ATOM 499 CD GLU A 30 84.268 -2.418 -3.273 1.00 0.00 C ATOM 500 OE1 GLU A 30 84.540 -3.186 -4.181 1.00 0.00 O ATOM 501 OE2 GLU A 30 83.343 -1.623 -3.305 1.00 0.00 O ATOM 0 H GLU A 30 85.630 -1.731 0.279 1.00 0.00 H new ATOM 0 HA GLU A 30 88.069 -2.407 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 30 86.009 -0.489 -2.271 1.00 0.00 H new ATOM 0 HB3 GLU A 30 86.867 -1.760 -3.120 1.00 0.00 H new ATOM 0 HG2 GLU A 30 85.476 -3.472 -1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 30 84.552 -2.146 -1.154 1.00 0.00 H new ATOM 508 N VAL A 31 89.241 -0.222 -0.928 1.00 0.00 N ATOM 509 CA VAL A 31 89.944 1.028 -0.648 1.00 0.00 C ATOM 510 C VAL A 31 90.964 1.343 -1.737 1.00 0.00 C ATOM 511 O VAL A 31 91.465 0.448 -2.417 1.00 0.00 O ATOM 512 CB VAL A 31 90.660 0.932 0.704 1.00 0.00 C ATOM 513 CG1 VAL A 31 89.634 0.721 1.817 1.00 0.00 C ATOM 514 CG2 VAL A 31 91.638 -0.247 0.690 1.00 0.00 C ATOM 0 H VAL A 31 89.823 -0.964 -1.317 1.00 0.00 H new ATOM 0 HA VAL A 31 89.206 1.830 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 31 91.208 1.857 0.882 1.00 0.00 H new ATOM 0 HG11 VAL A 31 90.147 0.653 2.776 1.00 0.00 H new ATOM 0 HG12 VAL A 31 88.939 1.561 1.835 1.00 0.00 H new ATOM 0 HG13 VAL A 31 89.083 -0.202 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 31 92.144 -0.311 1.653 1.00 0.00 H new ATOM 0 HG22 VAL A 31 91.091 -1.171 0.506 1.00 0.00 H new ATOM 0 HG23 VAL A 31 92.376 -0.099 -0.099 1.00 0.00 H new ATOM 524 N LEU A 32 91.290 2.623 -1.873 1.00 0.00 N ATOM 525 CA LEU A 32 92.278 3.059 -2.851 1.00 0.00 C ATOM 526 C LEU A 32 93.635 3.139 -2.166 1.00 0.00 C ATOM 527 O LEU A 32 93.757 3.715 -1.084 1.00 0.00 O ATOM 528 CB LEU A 32 91.903 4.424 -3.443 1.00 0.00 C ATOM 529 CG LEU A 32 91.521 5.405 -2.324 1.00 0.00 C ATOM 530 CD1 LEU A 32 91.911 6.829 -2.731 1.00 0.00 C ATOM 531 CD2 LEU A 32 90.009 5.350 -2.083 1.00 0.00 C ATOM 0 H LEU A 32 90.884 3.377 -1.318 1.00 0.00 H new ATOM 0 HA LEU A 32 92.313 2.342 -3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 32 92.741 4.823 -4.015 1.00 0.00 H new ATOM 0 HB3 LEU A 32 91.070 4.311 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 32 92.048 5.127 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 32 91.639 7.522 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 32 92.986 6.877 -2.902 1.00 0.00 H new ATOM 0 HD13 LEU A 32 91.386 7.103 -3.646 1.00 0.00 H new ATOM 0 HD21 LEU A 32 89.742 6.047 -1.289 1.00 0.00 H new ATOM 0 HD22 LEU A 32 89.484 5.624 -2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 32 89.724 4.340 -1.790 1.00 0.00 H new ATOM 543 N LEU A 33 94.651 2.557 -2.785 1.00 0.00 N ATOM 544 CA LEU A 33 95.983 2.582 -2.195 1.00 0.00 C ATOM 545 C LEU A 33 96.735 3.813 -2.671 1.00 0.00 C ATOM 546 O LEU A 33 96.821 4.085 -3.869 1.00 0.00 O ATOM 547 CB LEU A 33 96.752 1.305 -2.560 1.00 0.00 C ATOM 548 CG LEU A 33 98.256 1.471 -2.259 1.00 0.00 C ATOM 549 CD1 LEU A 33 98.809 0.182 -1.643 1.00 0.00 C ATOM 550 CD2 LEU A 33 99.009 1.767 -3.562 1.00 0.00 C ATOM 0 H LEU A 33 94.583 2.070 -3.679 1.00 0.00 H new ATOM 0 HA LEU A 33 95.890 2.626 -1.110 1.00 0.00 H new ATOM 0 HB2 LEU A 33 96.354 0.461 -1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 33 96.610 1.078 -3.617 1.00 0.00 H new ATOM 0 HG LEU A 33 98.390 2.295 -1.558 1.00 0.00 H new ATOM 0 HD11 LEU A 33 99.871 0.306 -1.433 1.00 0.00 H new ATOM 0 HD12 LEU A 33 98.279 -0.035 -0.716 1.00 0.00 H new ATOM 0 HD13 LEU A 33 98.671 -0.643 -2.341 1.00 0.00 H new ATOM 0 HD21 LEU A 33 100.072 1.884 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 33 98.867 0.942 -4.260 1.00 0.00 H new ATOM 0 HD23 LEU A 33 98.624 2.686 -4.004 1.00 0.00 H new ATOM 562 N HIS A 34 97.253 4.569 -1.716 1.00 0.00 N ATOM 563 CA HIS A 34 97.973 5.793 -2.028 1.00 0.00 C ATOM 564 C HIS A 34 99.476 5.542 -2.167 1.00 0.00 C ATOM 565 O HIS A 34 100.142 6.248 -2.924 1.00 0.00 O ATOM 566 CB HIS A 34 97.689 6.833 -0.952 1.00 0.00 C ATOM 567 CG HIS A 34 96.285 7.351 -1.104 1.00 0.00 C ATOM 568 ND1 HIS A 34 95.991 8.517 -1.796 1.00 0.00 N ATOM 569 CD2 HIS A 34 95.081 6.873 -0.650 1.00 0.00 C ATOM 570 CE1 HIS A 34 94.658 8.697 -1.736 1.00 0.00 C ATOM 571 NE2 HIS A 34 94.057 7.724 -1.048 1.00 0.00 N ATOM 0 H HIS A 34 97.188 4.357 -0.720 1.00 0.00 H new ATOM 0 HA HIS A 34 97.624 6.168 -2.990 1.00 0.00 H new ATOM 0 HB2 HIS A 34 97.819 6.392 0.036 1.00 0.00 H new ATOM 0 HB3 HIS A 34 98.400 7.655 -1.031 1.00 0.00 H new ATOM 0 HD1 HIS A 34 96.662 9.126 -2.264 1.00 0.00 H new ATOM 0 HD2 HIS A 34 94.949 5.971 -0.071 1.00 0.00 H new ATOM 0 HE1 HIS A 34 94.138 9.528 -2.190 1.00 0.00 H new ATOM 579 N ASP A 35 100.012 4.526 -1.498 1.00 0.00 N ATOM 580 CA ASP A 35 101.441 4.227 -1.652 1.00 0.00 C ATOM 581 C ASP A 35 101.832 2.961 -0.899 1.00 0.00 C ATOM 582 O ASP A 35 101.104 2.489 -0.026 1.00 0.00 O ATOM 583 CB ASP A 35 102.303 5.405 -1.185 1.00 0.00 C ATOM 584 CG ASP A 35 102.228 5.531 0.333 1.00 0.00 C ATOM 585 OD1 ASP A 35 101.293 6.152 0.811 1.00 0.00 O ATOM 586 OD2 ASP A 35 103.108 5.005 0.996 1.00 0.00 O ATOM 0 H ASP A 35 99.503 3.911 -0.863 1.00 0.00 H new ATOM 0 HA ASP A 35 101.622 4.061 -2.714 1.00 0.00 H new ATOM 0 HB2 ASP A 35 103.337 5.256 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 35 101.959 6.327 -1.653 1.00 0.00 H new ATOM 591 N VAL A 36 102.988 2.410 -1.265 1.00 0.00 N ATOM 592 CA VAL A 36 103.484 1.186 -0.646 1.00 0.00 C ATOM 593 C VAL A 36 105.005 1.203 -0.538 1.00 0.00 C ATOM 594 O VAL A 36 105.679 2.037 -1.141 1.00 0.00 O ATOM 595 CB VAL A 36 103.042 -0.023 -1.483 1.00 0.00 C ATOM 596 CG1 VAL A 36 103.929 -0.136 -2.728 1.00 0.00 C ATOM 597 CG2 VAL A 36 103.163 -1.309 -0.661 1.00 0.00 C ATOM 0 H VAL A 36 103.598 2.793 -1.987 1.00 0.00 H new ATOM 0 HA VAL A 36 103.070 1.116 0.360 1.00 0.00 H new ATOM 0 HB VAL A 36 102.002 0.116 -1.780 1.00 0.00 H new ATOM 0 HG11 VAL A 36 103.615 -0.994 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 36 103.836 0.772 -3.325 1.00 0.00 H new ATOM 0 HG13 VAL A 36 104.968 -0.266 -2.424 1.00 0.00 H new ATOM 0 HG21 VAL A 36 102.847 -2.159 -1.266 1.00 0.00 H new ATOM 0 HG22 VAL A 36 104.199 -1.448 -0.354 1.00 0.00 H new ATOM 0 HG23 VAL A 36 102.529 -1.237 0.223 1.00 0.00 H new ATOM 607 N SER A 37 105.532 0.248 0.220 1.00 0.00 N ATOM 608 CA SER A 37 106.966 0.096 0.407 1.00 0.00 C ATOM 609 C SER A 37 107.274 -1.395 0.441 1.00 0.00 C ATOM 610 O SER A 37 106.353 -2.211 0.498 1.00 0.00 O ATOM 611 CB SER A 37 107.408 0.754 1.715 1.00 0.00 C ATOM 612 OG SER A 37 108.829 0.768 1.777 1.00 0.00 O ATOM 0 H SER A 37 104.974 -0.443 0.722 1.00 0.00 H new ATOM 0 HA SER A 37 107.505 0.580 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 37 107.020 1.771 1.773 1.00 0.00 H new ATOM 0 HB3 SER A 37 107.001 0.208 2.566 1.00 0.00 H new ATOM 0 HG SER A 37 109.116 1.191 2.613 1.00 0.00 H new ATOM 618 N LEU A 38 108.542 -1.767 0.395 1.00 0.00 N ATOM 619 CA LEU A 38 108.876 -3.186 0.409 1.00 0.00 C ATOM 620 C LEU A 38 108.498 -3.821 1.746 1.00 0.00 C ATOM 621 O LEU A 38 108.694 -5.020 1.945 1.00 0.00 O ATOM 622 CB LEU A 38 110.369 -3.397 0.128 1.00 0.00 C ATOM 623 CG LEU A 38 111.202 -2.416 0.970 1.00 0.00 C ATOM 624 CD1 LEU A 38 112.465 -3.116 1.480 1.00 0.00 C ATOM 625 CD2 LEU A 38 111.603 -1.210 0.112 1.00 0.00 C ATOM 0 H LEU A 38 109.338 -1.130 0.349 1.00 0.00 H new ATOM 0 HA LEU A 38 108.302 -3.672 -0.380 1.00 0.00 H new ATOM 0 HB2 LEU A 38 110.651 -4.423 0.364 1.00 0.00 H new ATOM 0 HB3 LEU A 38 110.574 -3.246 -0.932 1.00 0.00 H new ATOM 0 HG LEU A 38 110.606 -2.078 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 38 113.053 -2.418 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 38 112.184 -3.971 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 38 113.059 -3.458 0.632 1.00 0.00 H new ATOM 0 HD21 LEU A 38 112.193 -0.517 0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 38 112.195 -1.549 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 38 110.706 -0.706 -0.248 1.00 0.00 H new ATOM 637 N HIS A 39 107.959 -3.017 2.662 1.00 0.00 N ATOM 638 CA HIS A 39 107.570 -3.535 3.970 1.00 0.00 C ATOM 639 C HIS A 39 106.538 -2.631 4.649 1.00 0.00 C ATOM 640 O HIS A 39 106.583 -2.436 5.864 1.00 0.00 O ATOM 641 CB HIS A 39 108.806 -3.653 4.866 1.00 0.00 C ATOM 642 CG HIS A 39 108.475 -4.484 6.075 1.00 0.00 C ATOM 643 ND1 HIS A 39 108.431 -5.868 6.030 1.00 0.00 N ATOM 644 CD2 HIS A 39 108.170 -4.140 7.368 1.00 0.00 C ATOM 645 CE1 HIS A 39 108.110 -6.304 7.261 1.00 0.00 C ATOM 646 NE2 HIS A 39 107.941 -5.293 8.115 1.00 0.00 N ATOM 0 H HIS A 39 107.785 -2.021 2.525 1.00 0.00 H new ATOM 0 HA HIS A 39 107.119 -4.516 3.820 1.00 0.00 H new ATOM 0 HB2 HIS A 39 109.627 -4.109 4.312 1.00 0.00 H new ATOM 0 HB3 HIS A 39 109.141 -2.662 5.174 1.00 0.00 H new ATOM 0 HD2 HIS A 39 108.116 -3.130 7.748 1.00 0.00 H new ATOM 0 HE1 HIS A 39 108.002 -7.345 7.526 1.00 0.00 H new ATOM 0 HE2 HIS A 39 107.696 -5.352 9.103 1.00 0.00 H new ATOM 654 N GLY A 40 105.609 -2.084 3.869 1.00 0.00 N ATOM 655 CA GLY A 40 104.582 -1.209 4.435 1.00 0.00 C ATOM 656 C GLY A 40 103.590 -0.749 3.367 1.00 0.00 C ATOM 657 O GLY A 40 103.893 -0.783 2.177 1.00 0.00 O ATOM 0 H GLY A 40 105.544 -2.226 2.861 1.00 0.00 H new ATOM 0 HA2 GLY A 40 104.049 -1.736 5.226 1.00 0.00 H new ATOM 0 HA3 GLY A 40 105.054 -0.340 4.893 1.00 0.00 H new ATOM 661 N ILE A 41 102.394 -0.342 3.799 1.00 0.00 N ATOM 662 CA ILE A 41 101.354 0.095 2.862 1.00 0.00 C ATOM 663 C ILE A 41 100.455 1.176 3.474 1.00 0.00 C ATOM 664 O ILE A 41 100.209 1.199 4.680 1.00 0.00 O ATOM 665 CB ILE A 41 100.504 -1.124 2.434 1.00 0.00 C ATOM 666 CG1 ILE A 41 99.004 -0.808 2.544 1.00 0.00 C ATOM 667 CG2 ILE A 41 100.836 -2.319 3.329 1.00 0.00 C ATOM 668 CD1 ILE A 41 98.197 -1.957 1.943 1.00 0.00 C ATOM 0 H ILE A 41 102.122 -0.306 4.781 1.00 0.00 H new ATOM 0 HA ILE A 41 101.842 0.531 1.991 1.00 0.00 H new ATOM 0 HB ILE A 41 100.737 -1.360 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 41 98.728 -0.662 3.588 1.00 0.00 H new ATOM 0 HG13 ILE A 41 98.778 0.122 2.022 1.00 0.00 H new ATOM 0 HG21 ILE A 41 100.236 -3.178 3.027 1.00 0.00 H new ATOM 0 HG22 ILE A 41 101.894 -2.563 3.233 1.00 0.00 H new ATOM 0 HG23 ILE A 41 100.614 -2.069 4.367 1.00 0.00 H new ATOM 0 HD11 ILE A 41 97.133 -1.734 2.021 1.00 0.00 H new ATOM 0 HD12 ILE A 41 98.466 -2.081 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 41 98.415 -2.877 2.485 1.00 0.00 H new ATOM 680 N LEU A 42 99.957 2.058 2.601 1.00 0.00 N ATOM 681 CA LEU A 42 99.061 3.146 3.002 1.00 0.00 C ATOM 682 C LEU A 42 97.755 3.027 2.219 1.00 0.00 C ATOM 683 O LEU A 42 97.772 2.734 1.024 1.00 0.00 O ATOM 684 CB LEU A 42 99.714 4.505 2.693 1.00 0.00 C ATOM 685 CG LEU A 42 99.529 5.480 3.865 1.00 0.00 C ATOM 686 CD1 LEU A 42 100.456 6.680 3.675 1.00 0.00 C ATOM 687 CD2 LEU A 42 98.085 5.976 3.914 1.00 0.00 C ATOM 0 H LEU A 42 100.163 2.038 1.602 1.00 0.00 H new ATOM 0 HA LEU A 42 98.865 3.078 4.072 1.00 0.00 H new ATOM 0 HB2 LEU A 42 100.777 4.366 2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 42 99.274 4.928 1.790 1.00 0.00 H new ATOM 0 HG LEU A 42 99.766 4.963 4.795 1.00 0.00 H new ATOM 0 HD11 LEU A 42 100.327 7.374 4.505 1.00 0.00 H new ATOM 0 HD12 LEU A 42 101.491 6.339 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 42 100.212 7.184 2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 42 97.966 6.667 4.749 1.00 0.00 H new ATOM 0 HD22 LEU A 42 97.844 6.488 2.982 1.00 0.00 H new ATOM 0 HD23 LEU A 42 97.413 5.128 4.046 1.00 0.00 H new ATOM 699 N VAL A 43 96.630 3.245 2.886 1.00 0.00 N ATOM 700 CA VAL A 43 95.336 3.145 2.214 1.00 0.00 C ATOM 701 C VAL A 43 94.358 4.202 2.723 1.00 0.00 C ATOM 702 O VAL A 43 94.640 4.922 3.680 1.00 0.00 O ATOM 703 CB VAL A 43 94.744 1.753 2.435 1.00 0.00 C ATOM 704 CG1 VAL A 43 95.720 0.695 1.919 1.00 0.00 C ATOM 705 CG2 VAL A 43 94.505 1.539 3.930 1.00 0.00 C ATOM 0 H VAL A 43 96.583 3.488 3.875 1.00 0.00 H new ATOM 0 HA VAL A 43 95.497 3.315 1.150 1.00 0.00 H new ATOM 0 HB VAL A 43 93.800 1.668 1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 43 95.298 -0.297 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 43 95.895 0.850 0.854 1.00 0.00 H new ATOM 0 HG13 VAL A 43 96.664 0.777 2.458 1.00 0.00 H new ATOM 0 HG21 VAL A 43 94.083 0.547 4.093 1.00 0.00 H new ATOM 0 HG22 VAL A 43 95.451 1.623 4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 43 93.811 2.294 4.299 1.00 0.00 H new ATOM 715 N GLY A 44 93.192 4.255 2.085 1.00 0.00 N ATOM 716 CA GLY A 44 92.139 5.195 2.487 1.00 0.00 C ATOM 717 C GLY A 44 91.161 4.494 3.430 1.00 0.00 C ATOM 718 O GLY A 44 90.917 3.297 3.280 1.00 0.00 O ATOM 0 H GLY A 44 92.949 3.663 1.291 1.00 0.00 H new ATOM 0 HA2 GLY A 44 92.579 6.061 2.981 1.00 0.00 H new ATOM 0 HA3 GLY A 44 91.611 5.564 1.608 1.00 0.00 H new ATOM 722 N GLN A 45 90.616 5.211 4.421 1.00 0.00 N ATOM 723 CA GLN A 45 89.697 4.590 5.377 1.00 0.00 C ATOM 724 C GLN A 45 88.248 4.621 4.886 1.00 0.00 C ATOM 725 O GLN A 45 87.668 5.700 4.760 1.00 0.00 O ATOM 726 CB GLN A 45 89.760 5.364 6.698 1.00 0.00 C ATOM 727 CG GLN A 45 88.875 4.674 7.747 1.00 0.00 C ATOM 728 CD GLN A 45 87.441 5.194 7.661 1.00 0.00 C ATOM 729 OE1 GLN A 45 87.181 6.205 7.008 1.00 0.00 O ATOM 730 NE2 GLN A 45 86.491 4.560 8.291 1.00 0.00 N ATOM 0 H GLN A 45 90.792 6.203 4.579 1.00 0.00 H new ATOM 0 HA GLN A 45 90.002 3.551 5.499 1.00 0.00 H new ATOM 0 HB2 GLN A 45 90.789 5.413 7.053 1.00 0.00 H new ATOM 0 HB3 GLN A 45 89.426 6.390 6.545 1.00 0.00 H new ATOM 0 HG2 GLN A 45 88.887 3.596 7.589 1.00 0.00 H new ATOM 0 HG3 GLN A 45 89.275 4.855 8.745 1.00 0.00 H new ATOM 0 HE21 GLN A 45 86.708 3.723 8.831 1.00 0.00 H new ATOM 0 HE22 GLN A 45 85.531 4.902 8.243 1.00 0.00 H new ATOM 739 N PRO A 46 87.634 3.495 4.630 1.00 0.00 N ATOM 740 CA PRO A 46 86.219 3.466 4.181 1.00 0.00 C ATOM 741 C PRO A 46 85.257 3.481 5.376 1.00 0.00 C ATOM 742 O PRO A 46 85.657 3.208 6.507 1.00 0.00 O ATOM 743 CB PRO A 46 86.141 2.166 3.392 1.00 0.00 C ATOM 744 CG PRO A 46 87.107 1.251 4.089 1.00 0.00 C ATOM 745 CD PRO A 46 88.195 2.143 4.718 1.00 0.00 C ATOM 0 HA PRO A 46 85.930 4.334 3.588 1.00 0.00 H new ATOM 0 HB2 PRO A 46 85.131 1.757 3.398 1.00 0.00 H new ATOM 0 HB3 PRO A 46 86.418 2.317 2.349 1.00 0.00 H new ATOM 0 HG2 PRO A 46 86.599 0.664 4.854 1.00 0.00 H new ATOM 0 HG3 PRO A 46 87.546 0.545 3.385 1.00 0.00 H new ATOM 0 HD2 PRO A 46 88.396 1.860 5.751 1.00 0.00 H new ATOM 0 HD3 PRO A 46 89.138 2.065 4.177 1.00 0.00 H new ATOM 753 N GLN A 47 83.999 3.827 5.121 1.00 0.00 N ATOM 754 CA GLN A 47 82.994 3.905 6.186 1.00 0.00 C ATOM 755 C GLN A 47 82.701 2.542 6.819 1.00 0.00 C ATOM 756 O GLN A 47 82.515 2.444 8.032 1.00 0.00 O ATOM 757 CB GLN A 47 81.696 4.480 5.614 1.00 0.00 C ATOM 758 CG GLN A 47 81.922 5.937 5.176 1.00 0.00 C ATOM 759 CD GLN A 47 81.360 6.160 3.775 1.00 0.00 C ATOM 760 OE1 GLN A 47 82.114 6.428 2.839 1.00 0.00 O ATOM 761 NE2 GLN A 47 80.074 6.063 3.574 1.00 0.00 N ATOM 0 H GLN A 47 83.648 4.058 4.191 1.00 0.00 H new ATOM 0 HA GLN A 47 83.397 4.550 6.967 1.00 0.00 H new ATOM 0 HB2 GLN A 47 81.366 3.882 4.765 1.00 0.00 H new ATOM 0 HB3 GLN A 47 80.906 4.434 6.363 1.00 0.00 H new ATOM 0 HG2 GLN A 47 81.441 6.615 5.881 1.00 0.00 H new ATOM 0 HG3 GLN A 47 82.987 6.167 5.189 1.00 0.00 H new ATOM 0 HE21 GLN A 47 79.452 5.841 4.351 1.00 0.00 H new ATOM 0 HE22 GLN A 47 79.691 6.209 2.640 1.00 0.00 H new ATOM 770 N ASP A 48 82.630 1.506 5.994 1.00 0.00 N ATOM 771 CA ASP A 48 82.323 0.162 6.483 1.00 0.00 C ATOM 772 C ASP A 48 83.497 -0.453 7.246 1.00 0.00 C ATOM 773 O ASP A 48 83.472 -1.635 7.585 1.00 0.00 O ATOM 774 CB ASP A 48 81.947 -0.738 5.304 1.00 0.00 C ATOM 775 CG ASP A 48 80.530 -0.421 4.837 1.00 0.00 C ATOM 776 OD1 ASP A 48 80.103 0.706 5.026 1.00 0.00 O ATOM 777 OD2 ASP A 48 79.892 -1.311 4.297 1.00 0.00 O ATOM 0 H ASP A 48 82.780 1.566 4.987 1.00 0.00 H new ATOM 0 HA ASP A 48 81.486 0.244 7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 48 82.650 -0.591 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 48 82.016 -1.785 5.599 1.00 0.00 H new ATOM 782 N TRP A 49 84.521 0.349 7.514 1.00 0.00 N ATOM 783 CA TRP A 49 85.697 -0.135 8.236 1.00 0.00 C ATOM 784 C TRP A 49 85.326 -0.673 9.612 1.00 0.00 C ATOM 785 O TRP A 49 85.686 -0.086 10.630 1.00 0.00 O ATOM 786 CB TRP A 49 86.688 1.012 8.409 1.00 0.00 C ATOM 787 CG TRP A 49 87.970 0.511 8.997 1.00 0.00 C ATOM 788 CD1 TRP A 49 88.281 0.528 10.311 1.00 0.00 C ATOM 789 CD2 TRP A 49 89.105 -0.059 8.309 1.00 0.00 C ATOM 790 NE1 TRP A 49 89.560 0.008 10.478 1.00 0.00 N ATOM 791 CE2 TRP A 49 90.117 -0.359 9.258 1.00 0.00 C ATOM 792 CE3 TRP A 49 89.346 -0.334 6.956 1.00 0.00 C ATOM 793 CZ2 TRP A 49 91.337 -0.914 8.849 1.00 0.00 C ATOM 794 CZ3 TRP A 49 90.560 -0.891 6.550 1.00 0.00 C ATOM 795 CH2 TRP A 49 91.552 -1.174 7.490 1.00 0.00 C ATOM 0 H TRP A 49 84.563 1.332 7.245 1.00 0.00 H new ATOM 0 HA TRP A 49 86.139 -0.945 7.656 1.00 0.00 H new ATOM 0 HB2 TRP A 49 86.882 1.482 7.445 1.00 0.00 H new ATOM 0 HB3 TRP A 49 86.259 1.777 9.056 1.00 0.00 H new ATOM 0 HD1 TRP A 49 87.641 0.887 11.103 1.00 0.00 H new ATOM 0 HE1 TRP A 49 90.029 -0.091 11.379 1.00 0.00 H new ATOM 0 HE3 TRP A 49 88.586 -0.113 6.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 92.104 -1.139 9.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 90.732 -1.104 5.505 1.00 0.00 H new ATOM 0 HH2 TRP A 49 92.492 -1.596 7.167 1.00 0.00 H new ATOM 806 N ASN A 50 84.625 -1.800 9.652 1.00 0.00 N ATOM 807 CA ASN A 50 84.255 -2.390 10.936 1.00 0.00 C ATOM 808 C ASN A 50 85.306 -3.414 11.348 1.00 0.00 C ATOM 809 O ASN A 50 85.107 -4.619 11.194 1.00 0.00 O ATOM 810 CB ASN A 50 82.873 -3.045 10.854 1.00 0.00 C ATOM 811 CG ASN A 50 82.284 -3.195 12.252 1.00 0.00 C ATOM 812 OD1 ASN A 50 81.107 -2.902 12.465 1.00 0.00 O ATOM 813 ND2 ASN A 50 83.034 -3.638 13.224 1.00 0.00 N ATOM 0 H ASN A 50 84.307 -2.315 8.831 1.00 0.00 H new ATOM 0 HA ASN A 50 84.209 -1.601 11.687 1.00 0.00 H new ATOM 0 HB2 ASN A 50 82.211 -2.440 10.234 1.00 0.00 H new ATOM 0 HB3 ASN A 50 82.952 -4.022 10.377 1.00 0.00 H new ATOM 0 HD21 ASN A 50 82.645 -3.742 14.161 1.00 0.00 H new ATOM 0 HD22 ASN A 50 84.009 -3.880 13.046 1.00 0.00 H new ATOM 820 N GLY A 51 86.429 -2.923 11.865 1.00 0.00 N ATOM 821 CA GLY A 51 87.515 -3.799 12.289 1.00 0.00 C ATOM 822 C GLY A 51 88.184 -3.278 13.551 1.00 0.00 C ATOM 823 O GLY A 51 88.068 -2.103 13.896 1.00 0.00 O ATOM 0 H GLY A 51 86.610 -1.928 12.000 1.00 0.00 H new ATOM 0 HA2 GLY A 51 87.127 -4.802 12.468 1.00 0.00 H new ATOM 0 HA3 GLY A 51 88.253 -3.880 11.491 1.00 0.00 H new ATOM 827 N ASP A 52 88.880 -4.174 14.236 1.00 0.00 N ATOM 828 CA ASP A 52 89.572 -3.828 15.472 1.00 0.00 C ATOM 829 C ASP A 52 91.039 -3.482 15.192 1.00 0.00 C ATOM 830 O ASP A 52 91.775 -4.302 14.640 1.00 0.00 O ATOM 831 CB ASP A 52 89.499 -5.007 16.445 1.00 0.00 C ATOM 832 CG ASP A 52 88.149 -5.019 17.152 1.00 0.00 C ATOM 833 OD1 ASP A 52 87.145 -5.138 16.468 1.00 0.00 O ATOM 834 OD2 ASP A 52 88.138 -4.912 18.367 1.00 0.00 O ATOM 0 H ASP A 52 88.981 -5.150 13.957 1.00 0.00 H new ATOM 0 HA ASP A 52 89.087 -2.956 15.912 1.00 0.00 H new ATOM 0 HB2 ASP A 52 89.644 -5.943 15.906 1.00 0.00 H new ATOM 0 HB3 ASP A 52 90.302 -4.934 17.179 1.00 0.00 H new ATOM 839 N PRO A 53 91.480 -2.297 15.549 1.00 0.00 N ATOM 840 CA PRO A 53 92.891 -1.867 15.313 1.00 0.00 C ATOM 841 C PRO A 53 93.878 -2.777 16.023 1.00 0.00 C ATOM 842 O PRO A 53 95.046 -2.860 15.646 1.00 0.00 O ATOM 843 CB PRO A 53 92.958 -0.431 15.857 1.00 0.00 C ATOM 844 CG PRO A 53 91.757 -0.267 16.733 1.00 0.00 C ATOM 845 CD PRO A 53 90.698 -1.245 16.224 1.00 0.00 C ATOM 0 HA PRO A 53 93.161 -1.918 14.258 1.00 0.00 H new ATOM 0 HB2 PRO A 53 93.877 -0.269 16.420 1.00 0.00 H new ATOM 0 HB3 PRO A 53 92.950 0.295 15.044 1.00 0.00 H new ATOM 0 HG2 PRO A 53 92.007 -0.476 17.773 1.00 0.00 H new ATOM 0 HG3 PRO A 53 91.387 0.758 16.693 1.00 0.00 H new ATOM 0 HD2 PRO A 53 90.104 -1.652 17.042 1.00 0.00 H new ATOM 0 HD3 PRO A 53 90.004 -0.760 15.537 1.00 0.00 H new ATOM 853 N GLN A 54 93.400 -3.459 17.053 1.00 0.00 N ATOM 854 CA GLN A 54 94.254 -4.361 17.805 1.00 0.00 C ATOM 855 C GLN A 54 94.450 -5.669 17.044 1.00 0.00 C ATOM 856 O GLN A 54 95.418 -6.393 17.277 1.00 0.00 O ATOM 857 CB GLN A 54 93.644 -4.650 19.180 1.00 0.00 C ATOM 858 CG GLN A 54 93.399 -3.333 19.936 1.00 0.00 C ATOM 859 CD GLN A 54 94.491 -3.111 20.980 1.00 0.00 C ATOM 860 OE1 GLN A 54 95.673 -3.066 20.644 1.00 0.00 O ATOM 861 NE2 GLN A 54 94.159 -2.970 22.236 1.00 0.00 N ATOM 0 H GLN A 54 92.436 -3.405 17.383 1.00 0.00 H new ATOM 0 HA GLN A 54 95.223 -3.881 17.939 1.00 0.00 H new ATOM 0 HB2 GLN A 54 92.705 -5.192 19.064 1.00 0.00 H new ATOM 0 HB3 GLN A 54 94.312 -5.290 19.756 1.00 0.00 H new ATOM 0 HG2 GLN A 54 93.383 -2.500 19.233 1.00 0.00 H new ATOM 0 HG3 GLN A 54 92.423 -3.360 20.421 1.00 0.00 H new ATOM 0 HE21 GLN A 54 93.178 -3.008 22.511 1.00 0.00 H new ATOM 0 HE22 GLN A 54 94.881 -2.822 22.941 1.00 0.00 H new ATOM 870 N ARG A 55 93.529 -5.966 16.129 1.00 0.00 N ATOM 871 CA ARG A 55 93.621 -7.192 15.337 1.00 0.00 C ATOM 872 C ARG A 55 94.249 -6.892 13.974 1.00 0.00 C ATOM 873 O ARG A 55 94.112 -5.789 13.449 1.00 0.00 O ATOM 874 CB ARG A 55 92.229 -7.807 15.149 1.00 0.00 C ATOM 875 CG ARG A 55 91.811 -8.559 16.416 1.00 0.00 C ATOM 876 CD ARG A 55 90.578 -9.411 16.111 1.00 0.00 C ATOM 877 NE ARG A 55 90.196 -10.192 17.282 1.00 0.00 N ATOM 878 CZ ARG A 55 90.931 -11.219 17.696 1.00 0.00 C ATOM 879 NH1 ARG A 55 92.028 -11.531 17.065 1.00 0.00 N ATOM 880 NH2 ARG A 55 90.557 -11.912 18.736 1.00 0.00 N ATOM 0 H ARG A 55 92.719 -5.382 15.919 1.00 0.00 H new ATOM 0 HA ARG A 55 94.252 -7.905 15.868 1.00 0.00 H new ATOM 0 HB2 ARG A 55 91.504 -7.024 14.925 1.00 0.00 H new ATOM 0 HB3 ARG A 55 92.236 -8.488 14.298 1.00 0.00 H new ATOM 0 HG2 ARG A 55 92.628 -9.191 16.764 1.00 0.00 H new ATOM 0 HG3 ARG A 55 91.591 -7.853 17.217 1.00 0.00 H new ATOM 0 HD2 ARG A 55 89.751 -8.769 15.809 1.00 0.00 H new ATOM 0 HD3 ARG A 55 90.787 -10.077 15.274 1.00 0.00 H new ATOM 0 HE ARG A 55 89.348 -9.945 17.793 1.00 0.00 H new ATOM 0 HH11 ARG A 55 92.322 -10.987 16.254 1.00 0.00 H new ATOM 0 HH12 ARG A 55 92.592 -12.319 17.382 1.00 0.00 H new ATOM 0 HH21 ARG A 55 89.700 -11.666 19.232 1.00 0.00 H new ATOM 0 HH22 ARG A 55 91.121 -12.700 19.053 1.00 0.00 H new ATOM 894 N PRO A 56 94.943 -7.848 13.407 1.00 0.00 N ATOM 895 CA PRO A 56 95.628 -7.688 12.086 1.00 0.00 C ATOM 896 C PRO A 56 94.662 -7.488 10.920 1.00 0.00 C ATOM 897 O PRO A 56 93.478 -7.816 11.004 1.00 0.00 O ATOM 898 CB PRO A 56 96.429 -8.987 11.924 1.00 0.00 C ATOM 899 CG PRO A 56 95.740 -9.983 12.794 1.00 0.00 C ATOM 900 CD PRO A 56 95.156 -9.195 13.965 1.00 0.00 C ATOM 0 HA PRO A 56 96.248 -6.791 12.071 1.00 0.00 H new ATOM 0 HB2 PRO A 56 96.442 -9.315 10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 56 97.467 -8.850 12.228 1.00 0.00 H new ATOM 0 HG2 PRO A 56 94.955 -10.503 12.245 1.00 0.00 H new ATOM 0 HG3 PRO A 56 96.439 -10.742 13.146 1.00 0.00 H new ATOM 0 HD2 PRO A 56 94.223 -9.634 14.318 1.00 0.00 H new ATOM 0 HD3 PRO A 56 95.839 -9.173 14.814 1.00 0.00 H new ATOM 908 N PHE A 57 95.205 -6.956 9.827 1.00 0.00 N ATOM 909 CA PHE A 57 94.439 -6.712 8.612 1.00 0.00 C ATOM 910 C PHE A 57 95.197 -7.313 7.429 1.00 0.00 C ATOM 911 O PHE A 57 96.416 -7.466 7.503 1.00 0.00 O ATOM 912 CB PHE A 57 94.293 -5.200 8.378 1.00 0.00 C ATOM 913 CG PHE A 57 93.596 -4.543 9.551 1.00 0.00 C ATOM 914 CD1 PHE A 57 94.272 -4.370 10.765 1.00 0.00 C ATOM 915 CD2 PHE A 57 92.275 -4.095 9.419 1.00 0.00 C ATOM 916 CE1 PHE A 57 93.627 -3.752 11.845 1.00 0.00 C ATOM 917 CE2 PHE A 57 91.631 -3.478 10.497 1.00 0.00 C ATOM 918 CZ PHE A 57 92.306 -3.305 11.710 1.00 0.00 C ATOM 0 H PHE A 57 96.186 -6.683 9.761 1.00 0.00 H new ATOM 0 HA PHE A 57 93.451 -7.163 8.710 1.00 0.00 H new ATOM 0 HB2 PHE A 57 95.276 -4.752 8.235 1.00 0.00 H new ATOM 0 HB3 PHE A 57 93.726 -5.021 7.465 1.00 0.00 H new ATOM 0 HD1 PHE A 57 95.291 -4.713 10.869 1.00 0.00 H new ATOM 0 HD2 PHE A 57 91.753 -4.226 8.483 1.00 0.00 H new ATOM 0 HE1 PHE A 57 94.148 -3.620 12.782 1.00 0.00 H new ATOM 0 HE2 PHE A 57 90.612 -3.135 10.393 1.00 0.00 H new ATOM 0 HZ PHE A 57 91.809 -2.827 12.542 1.00 0.00 H new ATOM 928 N GLU A 58 94.508 -7.631 6.336 1.00 0.00 N ATOM 929 CA GLU A 58 95.196 -8.182 5.164 1.00 0.00 C ATOM 930 C GLU A 58 94.922 -7.295 3.959 1.00 0.00 C ATOM 931 O GLU A 58 93.817 -6.795 3.804 1.00 0.00 O ATOM 932 CB GLU A 58 94.731 -9.614 4.885 1.00 0.00 C ATOM 933 CG GLU A 58 95.061 -10.506 6.084 1.00 0.00 C ATOM 934 CD GLU A 58 94.212 -11.774 6.042 1.00 0.00 C ATOM 935 OE1 GLU A 58 93.686 -12.077 4.985 1.00 0.00 O ATOM 936 OE2 GLU A 58 94.101 -12.423 7.070 1.00 0.00 O ATOM 0 H GLU A 58 93.499 -7.522 6.234 1.00 0.00 H new ATOM 0 HA GLU A 58 96.268 -8.209 5.361 1.00 0.00 H new ATOM 0 HB2 GLU A 58 93.658 -9.627 4.694 1.00 0.00 H new ATOM 0 HB3 GLU A 58 95.219 -9.997 3.989 1.00 0.00 H new ATOM 0 HG2 GLU A 58 96.119 -10.767 6.073 1.00 0.00 H new ATOM 0 HG3 GLU A 58 94.876 -9.965 7.012 1.00 0.00 H new ATOM 943 N ALA A 59 95.929 -7.059 3.125 1.00 0.00 N ATOM 944 CA ALA A 59 95.760 -6.189 1.968 1.00 0.00 C ATOM 945 C ALA A 59 96.060 -6.916 0.669 1.00 0.00 C ATOM 946 O ALA A 59 97.053 -7.635 0.557 1.00 0.00 O ATOM 947 CB ALA A 59 96.726 -5.009 2.085 1.00 0.00 C ATOM 0 H ALA A 59 96.864 -7.455 3.227 1.00 0.00 H new ATOM 0 HA ALA A 59 94.723 -5.855 1.952 1.00 0.00 H new ATOM 0 HB1 ALA A 59 96.606 -4.353 1.223 1.00 0.00 H new ATOM 0 HB2 ALA A 59 96.511 -4.452 2.997 1.00 0.00 H new ATOM 0 HB3 ALA A 59 97.751 -5.379 2.119 1.00 0.00 H new ATOM 953 N ARG A 60 95.217 -6.678 -0.325 1.00 0.00 N ATOM 954 CA ARG A 60 95.412 -7.264 -1.641 1.00 0.00 C ATOM 955 C ARG A 60 95.480 -6.134 -2.659 1.00 0.00 C ATOM 956 O ARG A 60 94.606 -5.269 -2.683 1.00 0.00 O ATOM 957 CB ARG A 60 94.246 -8.197 -1.980 1.00 0.00 C ATOM 958 CG ARG A 60 94.276 -9.426 -1.055 1.00 0.00 C ATOM 959 CD ARG A 60 93.875 -10.678 -1.839 1.00 0.00 C ATOM 960 NE ARG A 60 92.541 -10.510 -2.405 1.00 0.00 N ATOM 961 CZ ARG A 60 91.454 -10.838 -1.714 1.00 0.00 C ATOM 962 NH1 ARG A 60 91.569 -11.334 -0.512 1.00 0.00 N ATOM 963 NH2 ARG A 60 90.272 -10.669 -2.239 1.00 0.00 N ATOM 0 H ARG A 60 94.392 -6.083 -0.244 1.00 0.00 H new ATOM 0 HA ARG A 60 96.334 -7.845 -1.658 1.00 0.00 H new ATOM 0 HB2 ARG A 60 93.300 -7.668 -1.866 1.00 0.00 H new ATOM 0 HB3 ARG A 60 94.312 -8.512 -3.021 1.00 0.00 H new ATOM 0 HG2 ARG A 60 95.274 -9.553 -0.636 1.00 0.00 H new ATOM 0 HG3 ARG A 60 93.595 -9.278 -0.217 1.00 0.00 H new ATOM 0 HD2 ARG A 60 94.596 -10.864 -2.635 1.00 0.00 H new ATOM 0 HD3 ARG A 60 93.893 -11.548 -1.183 1.00 0.00 H new ATOM 0 HE ARG A 60 92.441 -10.134 -3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 60 92.493 -11.470 -0.103 1.00 0.00 H new ATOM 0 HH12 ARG A 60 90.735 -11.586 0.018 1.00 0.00 H new ATOM 0 HH21 ARG A 60 90.182 -10.285 -3.180 1.00 0.00 H new ATOM 0 HH22 ARG A 60 89.438 -10.921 -1.709 1.00 0.00 H new ATOM 977 N LEU A 61 96.524 -6.121 -3.480 1.00 0.00 N ATOM 978 CA LEU A 61 96.679 -5.053 -4.466 1.00 0.00 C ATOM 979 C LEU A 61 96.410 -5.565 -5.874 1.00 0.00 C ATOM 980 O LEU A 61 96.632 -6.737 -6.176 1.00 0.00 O ATOM 981 CB LEU A 61 98.095 -4.451 -4.402 1.00 0.00 C ATOM 982 CG LEU A 61 98.813 -4.901 -3.123 1.00 0.00 C ATOM 983 CD1 LEU A 61 100.299 -4.537 -3.211 1.00 0.00 C ATOM 984 CD2 LEU A 61 98.187 -4.198 -1.914 1.00 0.00 C ATOM 0 H LEU A 61 97.264 -6.823 -3.486 1.00 0.00 H new ATOM 0 HA LEU A 61 95.950 -4.279 -4.227 1.00 0.00 H new ATOM 0 HB2 LEU A 61 98.668 -4.761 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 61 98.036 -3.363 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 61 98.711 -5.981 -3.012 1.00 0.00 H new ATOM 0 HD11 LEU A 61 100.807 -4.858 -2.301 1.00 0.00 H new ATOM 0 HD12 LEU A 61 100.746 -5.036 -4.071 1.00 0.00 H new ATOM 0 HD13 LEU A 61 100.403 -3.458 -3.323 1.00 0.00 H new ATOM 0 HD21 LEU A 61 98.696 -4.517 -1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 61 98.289 -3.119 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 61 97.130 -4.458 -1.849 1.00 0.00 H new ATOM 996 N TYR A 62 95.939 -4.668 -6.733 1.00 0.00 N ATOM 997 CA TYR A 62 95.648 -5.021 -8.115 1.00 0.00 C ATOM 998 C TYR A 62 96.215 -3.962 -9.060 1.00 0.00 C ATOM 999 O TYR A 62 95.710 -2.837 -9.126 1.00 0.00 O ATOM 1000 CB TYR A 62 94.136 -5.135 -8.325 1.00 0.00 C ATOM 1001 CG TYR A 62 93.529 -6.008 -7.251 1.00 0.00 C ATOM 1002 CD1 TYR A 62 93.160 -5.452 -6.019 1.00 0.00 C ATOM 1003 CD2 TYR A 62 93.325 -7.372 -7.492 1.00 0.00 C ATOM 1004 CE1 TYR A 62 92.585 -6.262 -5.029 1.00 0.00 C ATOM 1005 CE2 TYR A 62 92.753 -8.180 -6.502 1.00 0.00 C ATOM 1006 CZ TYR A 62 92.382 -7.625 -5.272 1.00 0.00 C ATOM 1007 OH TYR A 62 91.814 -8.421 -4.298 1.00 0.00 O ATOM 0 H TYR A 62 95.751 -3.694 -6.496 1.00 0.00 H new ATOM 0 HA TYR A 62 96.114 -5.982 -8.332 1.00 0.00 H new ATOM 0 HB2 TYR A 62 93.681 -4.145 -8.300 1.00 0.00 H new ATOM 0 HB3 TYR A 62 93.928 -5.557 -9.308 1.00 0.00 H new ATOM 0 HD1 TYR A 62 93.318 -4.400 -5.832 1.00 0.00 H new ATOM 0 HD2 TYR A 62 93.609 -7.801 -8.442 1.00 0.00 H new ATOM 0 HE1 TYR A 62 92.299 -5.834 -4.080 1.00 0.00 H new ATOM 0 HE2 TYR A 62 92.598 -9.233 -6.688 1.00 0.00 H new ATOM 0 HH TYR A 62 91.314 -9.150 -4.722 1.00 0.00 H new ATOM 1017 N LEU A 63 97.261 -4.339 -9.794 1.00 0.00 N ATOM 1018 CA LEU A 63 97.896 -3.429 -10.747 1.00 0.00 C ATOM 1019 C LEU A 63 97.492 -3.819 -12.167 1.00 0.00 C ATOM 1020 O LEU A 63 96.555 -3.255 -12.733 1.00 0.00 O ATOM 1021 CB LEU A 63 99.424 -3.486 -10.589 1.00 0.00 C ATOM 1022 CG LEU A 63 100.036 -2.133 -10.963 1.00 0.00 C ATOM 1023 CD1 LEU A 63 101.554 -2.195 -10.792 1.00 0.00 C ATOM 1024 CD2 LEU A 63 99.702 -1.804 -12.419 1.00 0.00 C ATOM 0 H LEU A 63 97.686 -5.265 -9.748 1.00 0.00 H new ATOM 0 HA LEU A 63 97.567 -2.409 -10.551 1.00 0.00 H new ATOM 0 HB2 LEU A 63 99.683 -3.741 -9.561 1.00 0.00 H new ATOM 0 HB3 LEU A 63 99.835 -4.270 -11.225 1.00 0.00 H new ATOM 0 HG LEU A 63 99.627 -1.359 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 63 101.990 -1.232 -11.058 1.00 0.00 H new ATOM 0 HD12 LEU A 63 101.794 -2.428 -9.755 1.00 0.00 H new ATOM 0 HD13 LEU A 63 101.962 -2.970 -11.441 1.00 0.00 H new ATOM 0 HD21 LEU A 63 100.138 -0.841 -12.684 1.00 0.00 H new ATOM 0 HD22 LEU A 63 100.109 -2.578 -13.070 1.00 0.00 H new ATOM 0 HD23 LEU A 63 98.620 -1.759 -12.543 1.00 0.00 H new ATOM 1036 N GLY A 64 98.184 -4.804 -12.729 1.00 0.00 N ATOM 1037 CA GLY A 64 97.864 -5.278 -14.068 1.00 0.00 C ATOM 1038 C GLY A 64 96.636 -6.176 -14.007 1.00 0.00 C ATOM 1039 O GLY A 64 96.087 -6.401 -12.928 1.00 0.00 O ATOM 0 H GLY A 64 98.964 -5.286 -12.282 1.00 0.00 H new ATOM 0 HA2 GLY A 64 97.677 -4.432 -14.730 1.00 0.00 H new ATOM 0 HA3 GLY A 64 98.709 -5.827 -14.483 1.00 0.00 H new ATOM 1043 N LEU A 65 96.195 -6.686 -15.150 1.00 0.00 N ATOM 1044 CA LEU A 65 95.021 -7.548 -15.156 1.00 0.00 C ATOM 1045 C LEU A 65 95.372 -8.917 -14.582 1.00 0.00 C ATOM 1046 O LEU A 65 94.534 -9.573 -13.962 1.00 0.00 O ATOM 1047 CB LEU A 65 94.461 -7.703 -16.577 1.00 0.00 C ATOM 1048 CG LEU A 65 94.095 -6.332 -17.171 1.00 0.00 C ATOM 1049 CD1 LEU A 65 93.157 -5.579 -16.221 1.00 0.00 C ATOM 1050 CD2 LEU A 65 95.366 -5.503 -17.407 1.00 0.00 C ATOM 0 H LEU A 65 96.620 -6.523 -16.063 1.00 0.00 H new ATOM 0 HA LEU A 65 94.255 -7.084 -14.534 1.00 0.00 H new ATOM 0 HB2 LEU A 65 95.198 -8.195 -17.212 1.00 0.00 H new ATOM 0 HB3 LEU A 65 93.579 -8.343 -16.558 1.00 0.00 H new ATOM 0 HG LEU A 65 93.588 -6.488 -18.123 1.00 0.00 H new ATOM 0 HD11 LEU A 65 92.904 -4.610 -16.651 1.00 0.00 H new ATOM 0 HD12 LEU A 65 92.246 -6.159 -16.074 1.00 0.00 H new ATOM 0 HD13 LEU A 65 93.653 -5.432 -15.261 1.00 0.00 H new ATOM 0 HD21 LEU A 65 95.096 -4.534 -17.828 1.00 0.00 H new ATOM 0 HD22 LEU A 65 95.885 -5.355 -16.460 1.00 0.00 H new ATOM 0 HD23 LEU A 65 96.021 -6.030 -18.101 1.00 0.00 H new ATOM 1062 N ASP A 66 96.615 -9.348 -14.791 1.00 0.00 N ATOM 1063 CA ASP A 66 97.097 -10.638 -14.304 1.00 0.00 C ATOM 1064 C ASP A 66 97.983 -10.467 -13.070 1.00 0.00 C ATOM 1065 O ASP A 66 98.634 -11.417 -12.634 1.00 0.00 O ATOM 1066 CB ASP A 66 97.944 -11.280 -15.405 1.00 0.00 C ATOM 1067 CG ASP A 66 98.973 -10.280 -15.923 1.00 0.00 C ATOM 1068 OD1 ASP A 66 99.751 -9.793 -15.122 1.00 0.00 O ATOM 1069 OD2 ASP A 66 98.967 -10.019 -17.114 1.00 0.00 O ATOM 0 H ASP A 66 97.316 -8.812 -15.303 1.00 0.00 H new ATOM 0 HA ASP A 66 96.237 -11.254 -14.041 1.00 0.00 H new ATOM 0 HB2 ASP A 66 98.448 -12.165 -15.017 1.00 0.00 H new ATOM 0 HB3 ASP A 66 97.303 -11.611 -16.222 1.00 0.00 H new ATOM 1074 N VAL A 67 98.028 -9.252 -12.523 1.00 0.00 N ATOM 1075 CA VAL A 67 98.871 -8.986 -11.353 1.00 0.00 C ATOM 1076 C VAL A 67 98.046 -8.865 -10.076 1.00 0.00 C ATOM 1077 O VAL A 67 97.519 -7.798 -9.755 1.00 0.00 O ATOM 1078 CB VAL A 67 99.692 -7.705 -11.578 1.00 0.00 C ATOM 1079 CG1 VAL A 67 100.177 -7.142 -10.235 1.00 0.00 C ATOM 1080 CG2 VAL A 67 100.909 -8.030 -12.450 1.00 0.00 C ATOM 0 H VAL A 67 97.501 -8.447 -12.863 1.00 0.00 H new ATOM 0 HA VAL A 67 99.546 -9.833 -11.229 1.00 0.00 H new ATOM 0 HB VAL A 67 99.063 -6.965 -12.072 1.00 0.00 H new ATOM 0 HG11 VAL A 67 100.757 -6.235 -10.409 1.00 0.00 H new ATOM 0 HG12 VAL A 67 99.317 -6.908 -9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 67 100.802 -7.882 -9.735 1.00 0.00 H new ATOM 0 HG21 VAL A 67 101.493 -7.124 -12.612 1.00 0.00 H new ATOM 0 HG22 VAL A 67 101.527 -8.776 -11.949 1.00 0.00 H new ATOM 0 HG23 VAL A 67 100.574 -8.422 -13.410 1.00 0.00 H new ATOM 1090 N LEU A 68 97.962 -9.971 -9.343 1.00 0.00 N ATOM 1091 CA LEU A 68 97.234 -10.010 -8.081 1.00 0.00 C ATOM 1092 C LEU A 68 98.228 -10.256 -6.948 1.00 0.00 C ATOM 1093 O LEU A 68 98.915 -11.277 -6.924 1.00 0.00 O ATOM 1094 CB LEU A 68 96.166 -11.122 -8.137 1.00 0.00 C ATOM 1095 CG LEU A 68 95.936 -11.756 -6.754 1.00 0.00 C ATOM 1096 CD1 LEU A 68 95.423 -10.705 -5.764 1.00 0.00 C ATOM 1097 CD2 LEU A 68 94.894 -12.871 -6.885 1.00 0.00 C ATOM 0 H LEU A 68 98.393 -10.858 -9.605 1.00 0.00 H new ATOM 0 HA LEU A 68 96.726 -9.062 -7.903 1.00 0.00 H new ATOM 0 HB2 LEU A 68 95.229 -10.709 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 68 96.478 -11.891 -8.843 1.00 0.00 H new ATOM 0 HG LEU A 68 96.879 -12.159 -6.385 1.00 0.00 H new ATOM 0 HD11 LEU A 68 95.265 -11.169 -4.790 1.00 0.00 H new ATOM 0 HD12 LEU A 68 96.157 -9.905 -5.670 1.00 0.00 H new ATOM 0 HD13 LEU A 68 94.481 -10.293 -6.126 1.00 0.00 H new ATOM 0 HD21 LEU A 68 94.724 -13.327 -5.910 1.00 0.00 H new ATOM 0 HD22 LEU A 68 93.959 -12.453 -7.258 1.00 0.00 H new ATOM 0 HD23 LEU A 68 95.256 -13.628 -7.581 1.00 0.00 H new ATOM 1109 N ILE A 69 98.319 -9.302 -6.025 1.00 0.00 N ATOM 1110 CA ILE A 69 99.257 -9.418 -4.908 1.00 0.00 C ATOM 1111 C ILE A 69 98.522 -9.548 -3.576 1.00 0.00 C ATOM 1112 O ILE A 69 97.470 -8.940 -3.372 1.00 0.00 O ATOM 1113 CB ILE A 69 100.172 -8.190 -4.884 1.00 0.00 C ATOM 1114 CG1 ILE A 69 101.123 -8.233 -6.100 1.00 0.00 C ATOM 1115 CG2 ILE A 69 100.988 -8.186 -3.584 1.00 0.00 C ATOM 1116 CD1 ILE A 69 100.941 -6.971 -6.947 1.00 0.00 C ATOM 0 H ILE A 69 97.762 -8.448 -6.026 1.00 0.00 H new ATOM 0 HA ILE A 69 99.852 -10.320 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 69 99.569 -7.283 -4.932 1.00 0.00 H new ATOM 0 HG12 ILE A 69 102.157 -8.309 -5.762 1.00 0.00 H new ATOM 0 HG13 ILE A 69 100.918 -9.118 -6.702 1.00 0.00 H new ATOM 0 HG21 ILE A 69 101.640 -7.312 -3.566 1.00 0.00 H new ATOM 0 HG22 ILE A 69 100.312 -8.152 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 69 101.593 -9.091 -3.532 1.00 0.00 H new ATOM 0 HD11 ILE A 69 101.615 -7.007 -7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 69 99.911 -6.914 -7.298 1.00 0.00 H new ATOM 0 HD13 ILE A 69 101.168 -6.092 -6.344 1.00 0.00 H new ATOM 1128 N ARG A 70 99.101 -10.334 -2.666 1.00 0.00 N ATOM 1129 CA ARG A 70 98.518 -10.533 -1.339 1.00 0.00 C ATOM 1130 C ARG A 70 99.548 -10.273 -0.242 1.00 0.00 C ATOM 1131 O ARG A 70 100.669 -10.801 -0.279 1.00 0.00 O ATOM 1132 CB ARG A 70 97.971 -11.956 -1.213 1.00 0.00 C ATOM 1133 CG ARG A 70 98.944 -12.938 -1.870 1.00 0.00 C ATOM 1134 CD ARG A 70 98.514 -14.373 -1.557 1.00 0.00 C ATOM 1135 NE ARG A 70 98.893 -14.729 -0.194 1.00 0.00 N ATOM 1136 CZ ARG A 70 98.229 -15.661 0.484 1.00 0.00 C ATOM 1137 NH1 ARG A 70 97.222 -16.280 -0.071 1.00 0.00 N ATOM 1138 NH2 ARG A 70 98.584 -15.958 1.705 1.00 0.00 N ATOM 0 H ARG A 70 99.971 -10.842 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 70 97.702 -9.821 -1.218 1.00 0.00 H new ATOM 0 HB2 ARG A 70 97.833 -12.212 -0.163 1.00 0.00 H new ATOM 0 HB3 ARG A 70 96.993 -12.024 -1.689 1.00 0.00 H new ATOM 0 HG2 ARG A 70 98.963 -12.780 -2.948 1.00 0.00 H new ATOM 0 HG3 ARG A 70 99.956 -12.763 -1.504 1.00 0.00 H new ATOM 0 HD2 ARG A 70 97.435 -14.472 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 70 98.979 -15.061 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 70 99.681 -14.255 0.247 1.00 0.00 H new ATOM 0 HH11 ARG A 70 96.944 -16.049 -1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 70 96.713 -16.995 0.449 1.00 0.00 H new ATOM 0 HH21 ARG A 70 99.371 -15.475 2.139 1.00 0.00 H new ATOM 0 HH22 ARG A 70 98.075 -16.673 2.225 1.00 0.00 H new ATOM 1152 N MET A 71 99.150 -9.471 0.742 1.00 0.00 N ATOM 1153 CA MET A 71 100.023 -9.145 1.860 1.00 0.00 C ATOM 1154 C MET A 71 99.224 -9.141 3.161 1.00 0.00 C ATOM 1155 O MET A 71 98.051 -8.774 3.174 1.00 0.00 O ATOM 1156 CB MET A 71 100.671 -7.756 1.665 1.00 0.00 C ATOM 1157 CG MET A 71 100.613 -7.324 0.193 1.00 0.00 C ATOM 1158 SD MET A 71 100.827 -5.523 0.080 1.00 0.00 S ATOM 1159 CE MET A 71 102.277 -5.350 1.159 1.00 0.00 C ATOM 0 H MET A 71 98.228 -9.036 0.786 1.00 0.00 H new ATOM 0 HA MET A 71 100.807 -9.900 1.907 1.00 0.00 H new ATOM 0 HB2 MET A 71 100.157 -7.021 2.284 1.00 0.00 H new ATOM 0 HB3 MET A 71 101.708 -7.784 1.999 1.00 0.00 H new ATOM 0 HG2 MET A 71 101.393 -7.830 -0.376 1.00 0.00 H new ATOM 0 HG3 MET A 71 99.658 -7.616 -0.245 1.00 0.00 H new ATOM 0 HE1 MET A 71 102.796 -4.421 0.925 1.00 0.00 H new ATOM 0 HE2 MET A 71 101.956 -5.334 2.200 1.00 0.00 H new ATOM 0 HE3 MET A 71 102.951 -6.192 1.001 1.00 0.00 H new ATOM 1169 N GLU A 72 99.878 -9.513 4.255 1.00 0.00 N ATOM 1170 CA GLU A 72 99.230 -9.509 5.564 1.00 0.00 C ATOM 1171 C GLU A 72 99.892 -8.428 6.403 1.00 0.00 C ATOM 1172 O GLU A 72 101.105 -8.456 6.612 1.00 0.00 O ATOM 1173 CB GLU A 72 99.353 -10.875 6.244 1.00 0.00 C ATOM 1174 CG GLU A 72 98.646 -10.843 7.604 1.00 0.00 C ATOM 1175 CD GLU A 72 99.594 -10.320 8.679 1.00 0.00 C ATOM 1176 OE1 GLU A 72 100.314 -11.125 9.248 1.00 0.00 O ATOM 1177 OE2 GLU A 72 99.584 -9.124 8.919 1.00 0.00 O ATOM 0 H GLU A 72 100.851 -9.820 4.264 1.00 0.00 H new ATOM 0 HA GLU A 72 98.165 -9.305 5.453 1.00 0.00 H new ATOM 0 HB2 GLU A 72 98.912 -11.647 5.613 1.00 0.00 H new ATOM 0 HB3 GLU A 72 100.404 -11.133 6.376 1.00 0.00 H new ATOM 0 HG2 GLU A 72 97.762 -10.207 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 72 98.303 -11.844 7.867 1.00 0.00 H new ATOM 1184 N ILE A 73 99.112 -7.434 6.818 1.00 0.00 N ATOM 1185 CA ILE A 73 99.675 -6.311 7.556 1.00 0.00 C ATOM 1186 C ILE A 73 98.931 -6.001 8.851 1.00 0.00 C ATOM 1187 O ILE A 73 97.830 -6.493 9.092 1.00 0.00 O ATOM 1188 CB ILE A 73 99.616 -5.084 6.650 1.00 0.00 C ATOM 1189 CG1 ILE A 73 98.158 -4.606 6.545 1.00 0.00 C ATOM 1190 CG2 ILE A 73 100.140 -5.455 5.252 1.00 0.00 C ATOM 1191 CD1 ILE A 73 97.994 -3.651 5.358 1.00 0.00 C ATOM 0 H ILE A 73 98.106 -7.383 6.659 1.00 0.00 H new ATOM 0 HA ILE A 73 100.695 -6.575 7.836 1.00 0.00 H new ATOM 0 HB ILE A 73 100.233 -4.288 7.066 1.00 0.00 H new ATOM 0 HG12 ILE A 73 97.495 -5.463 6.425 1.00 0.00 H new ATOM 0 HG13 ILE A 73 97.866 -4.104 7.467 1.00 0.00 H new ATOM 0 HG21 ILE A 73 100.098 -4.580 4.604 1.00 0.00 H new ATOM 0 HG22 ILE A 73 101.171 -5.800 5.330 1.00 0.00 H new ATOM 0 HG23 ILE A 73 99.522 -6.248 4.831 1.00 0.00 H new ATOM 0 HD11 ILE A 73 96.957 -3.321 5.297 1.00 0.00 H new ATOM 0 HD12 ILE A 73 98.642 -2.786 5.495 1.00 0.00 H new ATOM 0 HD13 ILE A 73 98.266 -4.166 4.437 1.00 0.00 H new ATOM 1203 N SER A 74 99.555 -5.156 9.669 1.00 0.00 N ATOM 1204 CA SER A 74 98.974 -4.730 10.941 1.00 0.00 C ATOM 1205 C SER A 74 98.842 -3.208 10.966 1.00 0.00 C ATOM 1206 O SER A 74 99.621 -2.500 10.329 1.00 0.00 O ATOM 1207 CB SER A 74 99.857 -5.190 12.100 1.00 0.00 C ATOM 1208 OG SER A 74 99.781 -6.604 12.218 1.00 0.00 O ATOM 0 H SER A 74 100.470 -4.750 9.472 1.00 0.00 H new ATOM 0 HA SER A 74 97.986 -5.179 11.047 1.00 0.00 H new ATOM 0 HB2 SER A 74 100.889 -4.883 11.930 1.00 0.00 H new ATOM 0 HB3 SER A 74 99.533 -4.719 13.028 1.00 0.00 H new ATOM 0 HG SER A 74 100.348 -6.901 12.960 1.00 0.00 H new ATOM 1214 N LEU A 75 97.851 -2.708 11.701 1.00 0.00 N ATOM 1215 CA LEU A 75 97.636 -1.263 11.789 1.00 0.00 C ATOM 1216 C LEU A 75 98.802 -0.601 12.516 1.00 0.00 C ATOM 1217 O LEU A 75 99.114 -0.934 13.659 1.00 0.00 O ATOM 1218 CB LEU A 75 96.312 -0.957 12.498 1.00 0.00 C ATOM 1219 CG LEU A 75 95.939 0.515 12.284 1.00 0.00 C ATOM 1220 CD1 LEU A 75 95.400 0.721 10.867 1.00 0.00 C ATOM 1221 CD2 LEU A 75 94.862 0.923 13.292 1.00 0.00 C ATOM 0 H LEU A 75 97.192 -3.272 12.238 1.00 0.00 H new ATOM 0 HA LEU A 75 97.581 -0.857 10.779 1.00 0.00 H new ATOM 0 HB2 LEU A 75 95.523 -1.602 12.110 1.00 0.00 H new ATOM 0 HB3 LEU A 75 96.402 -1.168 13.564 1.00 0.00 H new ATOM 0 HG LEU A 75 96.830 1.127 12.424 1.00 0.00 H new ATOM 0 HD11 LEU A 75 95.138 1.770 10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 75 96.163 0.437 10.143 1.00 0.00 H new ATOM 0 HD13 LEU A 75 94.514 0.103 10.721 1.00 0.00 H new ATOM 0 HD21 LEU A 75 94.598 1.969 13.139 1.00 0.00 H new ATOM 0 HD22 LEU A 75 93.978 0.301 13.151 1.00 0.00 H new ATOM 0 HD23 LEU A 75 95.242 0.789 14.305 1.00 0.00 H new ATOM 1233 N ALA A 76 99.425 0.368 11.839 1.00 0.00 N ATOM 1234 CA ALA A 76 100.539 1.116 12.415 1.00 0.00 C ATOM 1235 C ALA A 76 100.071 2.460 12.988 1.00 0.00 C ATOM 1236 O ALA A 76 100.468 2.855 14.086 1.00 0.00 O ATOM 1237 CB ALA A 76 101.633 1.314 11.368 1.00 0.00 C ATOM 0 H ALA A 76 99.174 0.651 10.891 1.00 0.00 H new ATOM 0 HA ALA A 76 100.951 0.538 13.242 1.00 0.00 H new ATOM 0 HB1 ALA A 76 102.460 1.873 11.807 1.00 0.00 H new ATOM 0 HB2 ALA A 76 101.992 0.342 11.028 1.00 0.00 H new ATOM 0 HB3 ALA A 76 101.230 1.868 10.521 1.00 0.00 H new ATOM 1243 N TRP A 77 99.240 3.162 12.217 1.00 0.00 N ATOM 1244 CA TRP A 77 98.729 4.477 12.628 1.00 0.00 C ATOM 1245 C TRP A 77 97.580 4.909 11.711 1.00 0.00 C ATOM 1246 O TRP A 77 97.374 4.325 10.647 1.00 0.00 O ATOM 1247 CB TRP A 77 99.861 5.513 12.524 1.00 0.00 C ATOM 1248 CG TRP A 77 100.266 5.580 11.095 1.00 0.00 C ATOM 1249 CD1 TRP A 77 101.285 4.887 10.543 1.00 0.00 C ATOM 1250 CD2 TRP A 77 99.671 6.361 10.016 1.00 0.00 C ATOM 1251 NE1 TRP A 77 101.291 5.116 9.187 1.00 0.00 N ATOM 1252 CE2 TRP A 77 100.341 6.046 8.818 1.00 0.00 C ATOM 1253 CE3 TRP A 77 98.611 7.284 9.957 1.00 0.00 C ATOM 1254 CZ2 TRP A 77 99.985 6.624 7.601 1.00 0.00 C ATOM 1255 CZ3 TRP A 77 98.247 7.874 8.733 1.00 0.00 C ATOM 1256 CH2 TRP A 77 98.939 7.549 7.557 1.00 0.00 C ATOM 0 H TRP A 77 98.905 2.846 11.307 1.00 0.00 H new ATOM 0 HA TRP A 77 98.367 4.411 13.654 1.00 0.00 H new ATOM 0 HB2 TRP A 77 99.523 6.488 12.874 1.00 0.00 H new ATOM 0 HB3 TRP A 77 100.705 5.224 13.150 1.00 0.00 H new ATOM 0 HD1 TRP A 77 101.980 4.257 11.078 1.00 0.00 H new ATOM 0 HE1 TRP A 77 101.922 4.654 8.533 1.00 0.00 H new ATOM 0 HE3 TRP A 77 98.073 7.541 10.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 100.514 6.359 6.698 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 97.431 8.581 8.699 1.00 0.00 H new ATOM 0 HH2 TRP A 77 98.664 8.012 6.621 1.00 0.00 H new ATOM 1267 N ALA A 78 96.852 5.951 12.116 1.00 0.00 N ATOM 1268 CA ALA A 78 95.748 6.470 11.306 1.00 0.00 C ATOM 1269 C ALA A 78 95.645 7.984 11.480 1.00 0.00 C ATOM 1270 O ALA A 78 95.506 8.469 12.603 1.00 0.00 O ATOM 1271 CB ALA A 78 94.440 5.832 11.777 1.00 0.00 C ATOM 0 H ALA A 78 97.005 6.449 12.993 1.00 0.00 H new ATOM 0 HA ALA A 78 95.929 6.234 10.257 1.00 0.00 H new ATOM 0 HB1 ALA A 78 93.613 6.214 11.178 1.00 0.00 H new ATOM 0 HB2 ALA A 78 94.501 4.750 11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 78 94.272 6.077 12.826 1.00 0.00 H new ATOM 1277 N ARG A 79 95.706 8.739 10.380 1.00 0.00 N ATOM 1278 CA ARG A 79 95.609 10.196 10.488 1.00 0.00 C ATOM 1279 C ARG A 79 95.026 10.848 9.228 1.00 0.00 C ATOM 1280 O ARG A 79 95.468 10.573 8.113 1.00 0.00 O ATOM 1281 CB ARG A 79 96.994 10.782 10.792 1.00 0.00 C ATOM 1282 CG ARG A 79 96.864 12.203 11.347 1.00 0.00 C ATOM 1283 CD ARG A 79 98.223 12.671 11.872 1.00 0.00 C ATOM 1284 NE ARG A 79 98.093 13.971 12.526 1.00 0.00 N ATOM 1285 CZ ARG A 79 99.089 14.853 12.517 1.00 0.00 C ATOM 1286 NH1 ARG A 79 100.215 14.566 11.920 1.00 0.00 N ATOM 1287 NH2 ARG A 79 98.941 16.008 13.108 1.00 0.00 N ATOM 0 H ARG A 79 95.819 8.380 9.432 1.00 0.00 H new ATOM 0 HA ARG A 79 94.920 10.416 11.304 1.00 0.00 H new ATOM 0 HB2 ARG A 79 97.513 10.150 11.512 1.00 0.00 H new ATOM 0 HB3 ARG A 79 97.598 10.793 9.885 1.00 0.00 H new ATOM 0 HG2 ARG A 79 96.511 12.878 10.568 1.00 0.00 H new ATOM 0 HG3 ARG A 79 96.125 12.226 12.148 1.00 0.00 H new ATOM 0 HD2 ARG A 79 98.620 11.940 12.576 1.00 0.00 H new ATOM 0 HD3 ARG A 79 98.934 12.740 11.049 1.00 0.00 H new ATOM 0 HE ARG A 79 97.221 14.207 12.999 1.00 0.00 H new ATOM 0 HH11 ARG A 79 100.332 13.664 11.459 1.00 0.00 H new ATOM 0 HH12 ARG A 79 100.977 15.244 11.915 1.00 0.00 H new ATOM 0 HH21 ARG A 79 98.063 16.233 13.576 1.00 0.00 H new ATOM 0 HH22 ARG A 79 99.704 16.685 13.102 1.00 0.00 H new ATOM 1301 N ASP A 80 94.075 11.764 9.428 1.00 0.00 N ATOM 1302 CA ASP A 80 93.481 12.515 8.321 1.00 0.00 C ATOM 1303 C ASP A 80 92.859 11.638 7.238 1.00 0.00 C ATOM 1304 O ASP A 80 93.059 11.892 6.049 1.00 0.00 O ATOM 1305 CB ASP A 80 94.546 13.411 7.684 1.00 0.00 C ATOM 1306 CG ASP A 80 94.934 14.527 8.648 1.00 0.00 C ATOM 1307 OD1 ASP A 80 94.817 14.316 9.845 1.00 0.00 O ATOM 1308 OD2 ASP A 80 95.342 15.575 8.177 1.00 0.00 O ATOM 0 H ASP A 80 93.700 12.003 10.346 1.00 0.00 H new ATOM 0 HA ASP A 80 92.670 13.102 8.753 1.00 0.00 H new ATOM 0 HB2 ASP A 80 95.425 12.819 7.427 1.00 0.00 H new ATOM 0 HB3 ASP A 80 94.166 13.837 6.755 1.00 0.00 H new ATOM 1313 N GLY A 81 92.068 10.646 7.626 1.00 0.00 N ATOM 1314 CA GLY A 81 91.393 9.809 6.638 1.00 0.00 C ATOM 1315 C GLY A 81 92.275 8.687 6.106 1.00 0.00 C ATOM 1316 O GLY A 81 91.766 7.655 5.668 1.00 0.00 O ATOM 0 H GLY A 81 91.879 10.403 8.598 1.00 0.00 H new ATOM 0 HA2 GLY A 81 90.497 9.378 7.086 1.00 0.00 H new ATOM 0 HA3 GLY A 81 91.065 10.432 5.806 1.00 0.00 H new ATOM 1320 N LEU A 82 93.589 8.880 6.120 1.00 0.00 N ATOM 1321 CA LEU A 82 94.488 7.856 5.607 1.00 0.00 C ATOM 1322 C LEU A 82 94.881 6.888 6.714 1.00 0.00 C ATOM 1323 O LEU A 82 94.875 7.237 7.894 1.00 0.00 O ATOM 1324 CB LEU A 82 95.743 8.507 5.019 1.00 0.00 C ATOM 1325 CG LEU A 82 95.369 9.827 4.343 1.00 0.00 C ATOM 1326 CD1 LEU A 82 96.604 10.414 3.659 1.00 0.00 C ATOM 1327 CD2 LEU A 82 94.281 9.573 3.297 1.00 0.00 C ATOM 0 H LEU A 82 94.048 9.719 6.474 1.00 0.00 H new ATOM 0 HA LEU A 82 93.970 7.302 4.824 1.00 0.00 H new ATOM 0 HB2 LEU A 82 96.475 8.685 5.806 1.00 0.00 H new ATOM 0 HB3 LEU A 82 96.208 7.836 4.297 1.00 0.00 H new ATOM 0 HG LEU A 82 94.998 10.528 5.091 1.00 0.00 H new ATOM 0 HD11 LEU A 82 96.340 11.355 3.176 1.00 0.00 H new ATOM 0 HD12 LEU A 82 97.381 10.593 4.402 1.00 0.00 H new ATOM 0 HD13 LEU A 82 96.973 9.713 2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 82 94.014 10.513 2.815 1.00 0.00 H new ATOM 0 HD22 LEU A 82 94.652 8.874 2.548 1.00 0.00 H new ATOM 0 HD23 LEU A 82 93.401 9.151 3.782 1.00 0.00 H new ATOM 1339 N LEU A 83 95.209 5.666 6.318 1.00 0.00 N ATOM 1340 CA LEU A 83 95.590 4.632 7.266 1.00 0.00 C ATOM 1341 C LEU A 83 96.926 4.017 6.892 1.00 0.00 C ATOM 1342 O LEU A 83 97.158 3.699 5.726 1.00 0.00 O ATOM 1343 CB LEU A 83 94.547 3.514 7.198 1.00 0.00 C ATOM 1344 CG LEU A 83 93.153 4.078 7.471 1.00 0.00 C ATOM 1345 CD1 LEU A 83 92.123 2.953 7.326 1.00 0.00 C ATOM 1346 CD2 LEU A 83 93.091 4.651 8.892 1.00 0.00 C ATOM 0 H LEU A 83 95.218 5.367 5.343 1.00 0.00 H new ATOM 0 HA LEU A 83 95.657 5.079 8.258 1.00 0.00 H new ATOM 0 HB2 LEU A 83 94.571 3.043 6.215 1.00 0.00 H new ATOM 0 HB3 LEU A 83 94.784 2.740 7.928 1.00 0.00 H new ATOM 0 HG LEU A 83 92.936 4.874 6.758 1.00 0.00 H new ATOM 0 HD11 LEU A 83 91.125 3.346 7.519 1.00 0.00 H new ATOM 0 HD12 LEU A 83 92.165 2.550 6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 83 92.346 2.161 8.041 1.00 0.00 H new ATOM 0 HD21 LEU A 83 92.095 5.051 9.080 1.00 0.00 H new ATOM 0 HD22 LEU A 83 93.307 3.862 9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 83 93.828 5.448 8.995 1.00 0.00 H new ATOM 1358 N GLY A 84 97.799 3.825 7.871 1.00 0.00 N ATOM 1359 CA GLY A 84 99.093 3.219 7.601 1.00 0.00 C ATOM 1360 C GLY A 84 99.110 1.795 8.120 1.00 0.00 C ATOM 1361 O GLY A 84 98.441 1.473 9.101 1.00 0.00 O ATOM 0 H GLY A 84 97.638 4.076 8.846 1.00 0.00 H new ATOM 0 HA2 GLY A 84 99.293 3.228 6.529 1.00 0.00 H new ATOM 0 HA3 GLY A 84 99.883 3.799 8.077 1.00 0.00 H new ATOM 1365 N PHE A 85 99.870 0.945 7.455 1.00 0.00 N ATOM 1366 CA PHE A 85 99.959 -0.447 7.859 1.00 0.00 C ATOM 1367 C PHE A 85 101.374 -0.964 7.686 1.00 0.00 C ATOM 1368 O PHE A 85 102.056 -0.612 6.723 1.00 0.00 O ATOM 1369 CB PHE A 85 99.019 -1.294 7.004 1.00 0.00 C ATOM 1370 CG PHE A 85 97.589 -1.026 7.396 1.00 0.00 C ATOM 1371 CD1 PHE A 85 97.015 -1.732 8.457 1.00 0.00 C ATOM 1372 CD2 PHE A 85 96.835 -0.077 6.699 1.00 0.00 C ATOM 1373 CE1 PHE A 85 95.691 -1.489 8.826 1.00 0.00 C ATOM 1374 CE2 PHE A 85 95.508 0.168 7.070 1.00 0.00 C ATOM 1375 CZ PHE A 85 94.937 -0.538 8.133 1.00 0.00 C ATOM 0 H PHE A 85 100.431 1.190 6.639 1.00 0.00 H new ATOM 0 HA PHE A 85 99.676 -0.516 8.909 1.00 0.00 H new ATOM 0 HB2 PHE A 85 99.166 -1.063 5.949 1.00 0.00 H new ATOM 0 HB3 PHE A 85 99.249 -2.352 7.134 1.00 0.00 H new ATOM 0 HD1 PHE A 85 97.597 -2.467 8.993 1.00 0.00 H new ATOM 0 HD2 PHE A 85 97.276 0.466 5.876 1.00 0.00 H new ATOM 0 HE1 PHE A 85 95.250 -2.035 9.646 1.00 0.00 H new ATOM 0 HE2 PHE A 85 94.925 0.903 6.535 1.00 0.00 H new ATOM 0 HZ PHE A 85 93.913 -0.348 8.419 1.00 0.00 H new ATOM 1385 N GLU A 86 101.810 -1.810 8.609 1.00 0.00 N ATOM 1386 CA GLU A 86 103.148 -2.377 8.526 1.00 0.00 C ATOM 1387 C GLU A 86 103.049 -3.820 8.039 1.00 0.00 C ATOM 1388 O GLU A 86 102.271 -4.612 8.571 1.00 0.00 O ATOM 1389 CB GLU A 86 103.827 -2.339 9.901 1.00 0.00 C ATOM 1390 CG GLU A 86 105.044 -3.271 9.902 1.00 0.00 C ATOM 1391 CD GLU A 86 105.993 -2.894 11.034 1.00 0.00 C ATOM 1392 OE1 GLU A 86 105.539 -2.277 11.982 1.00 0.00 O ATOM 1393 OE2 GLU A 86 107.163 -3.230 10.934 1.00 0.00 O ATOM 0 H GLU A 86 101.264 -2.116 9.415 1.00 0.00 H new ATOM 0 HA GLU A 86 103.745 -1.791 7.827 1.00 0.00 H new ATOM 0 HB2 GLU A 86 104.136 -1.321 10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 86 103.122 -2.645 10.674 1.00 0.00 H new ATOM 0 HG2 GLU A 86 104.720 -4.305 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 86 105.563 -3.205 8.945 1.00 0.00 H new ATOM 1400 N CYS A 87 103.819 -4.147 7.008 1.00 0.00 N ATOM 1401 CA CYS A 87 103.784 -5.488 6.436 1.00 0.00 C ATOM 1402 C CYS A 87 104.360 -6.528 7.392 1.00 0.00 C ATOM 1403 O CYS A 87 105.521 -6.448 7.794 1.00 0.00 O ATOM 1404 CB CYS A 87 104.568 -5.511 5.125 1.00 0.00 C ATOM 1405 SG CYS A 87 104.778 -7.221 4.568 1.00 0.00 S ATOM 0 H CYS A 87 104.471 -3.507 6.553 1.00 0.00 H new ATOM 0 HA CYS A 87 102.740 -5.742 6.253 1.00 0.00 H new ATOM 0 HB2 CYS A 87 104.042 -4.933 4.365 1.00 0.00 H new ATOM 0 HB3 CYS A 87 105.542 -5.042 5.264 1.00 0.00 H new ATOM 0 HG CYS A 87 105.444 -7.235 3.451 1.00 0.00 H new ATOM 1411 N GLN A 88 103.532 -7.510 7.742 1.00 0.00 N ATOM 1412 CA GLN A 88 103.950 -8.580 8.643 1.00 0.00 C ATOM 1413 C GLN A 88 104.417 -9.796 7.844 1.00 0.00 C ATOM 1414 O GLN A 88 105.365 -10.478 8.232 1.00 0.00 O ATOM 1415 CB GLN A 88 102.778 -8.980 9.548 1.00 0.00 C ATOM 1416 CG GLN A 88 103.310 -9.518 10.879 1.00 0.00 C ATOM 1417 CD GLN A 88 103.732 -8.360 11.777 1.00 0.00 C ATOM 1418 OE1 GLN A 88 104.108 -8.572 12.929 1.00 0.00 O ATOM 1419 NE2 GLN A 88 103.690 -7.140 11.313 1.00 0.00 N ATOM 0 H GLN A 88 102.569 -7.586 7.415 1.00 0.00 H new ATOM 0 HA GLN A 88 104.778 -8.220 9.254 1.00 0.00 H new ATOM 0 HB2 GLN A 88 102.133 -8.119 9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 88 102.169 -9.739 9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 88 102.542 -10.112 11.374 1.00 0.00 H new ATOM 0 HG3 GLN A 88 104.158 -10.179 10.701 1.00 0.00 H new ATOM 0 HE21 GLN A 88 103.378 -6.968 10.357 1.00 0.00 H new ATOM 0 HE22 GLN A 88 103.970 -6.359 11.906 1.00 0.00 H new ATOM 1428 N HIS A 89 103.743 -10.058 6.727 1.00 0.00 N ATOM 1429 CA HIS A 89 104.094 -11.192 5.878 1.00 0.00 C ATOM 1430 C HIS A 89 103.497 -11.011 4.483 1.00 0.00 C ATOM 1431 O HIS A 89 102.388 -10.513 4.333 1.00 0.00 O ATOM 1432 CB HIS A 89 103.582 -12.496 6.513 1.00 0.00 C ATOM 1433 CG HIS A 89 102.897 -13.349 5.476 1.00 0.00 C ATOM 1434 ND1 HIS A 89 103.500 -13.679 4.272 1.00 0.00 N ATOM 1435 CD2 HIS A 89 101.659 -13.942 5.448 1.00 0.00 C ATOM 1436 CE1 HIS A 89 102.632 -14.437 3.576 1.00 0.00 C ATOM 1437 NE2 HIS A 89 101.495 -14.628 4.247 1.00 0.00 N ATOM 0 H HIS A 89 102.955 -9.504 6.391 1.00 0.00 H new ATOM 0 HA HIS A 89 105.179 -11.246 5.786 1.00 0.00 H new ATOM 0 HB2 HIS A 89 104.414 -13.045 6.954 1.00 0.00 H new ATOM 0 HB3 HIS A 89 102.888 -12.267 7.321 1.00 0.00 H new ATOM 0 HD2 HIS A 89 100.924 -13.885 6.237 1.00 0.00 H new ATOM 0 HE1 HIS A 89 102.832 -14.841 2.595 1.00 0.00 H new ATOM 0 HE2 HIS A 89 100.680 -15.162 3.945 1.00 0.00 H new ATOM 1445 N ILE A 90 104.253 -11.409 3.470 1.00 0.00 N ATOM 1446 CA ILE A 90 103.818 -11.282 2.081 1.00 0.00 C ATOM 1447 C ILE A 90 104.334 -12.459 1.262 1.00 0.00 C ATOM 1448 O ILE A 90 105.452 -12.936 1.463 1.00 0.00 O ATOM 1449 CB ILE A 90 104.321 -9.961 1.495 1.00 0.00 C ATOM 1450 CG1 ILE A 90 104.083 -9.941 -0.021 1.00 0.00 C ATOM 1451 CG2 ILE A 90 105.817 -9.810 1.791 1.00 0.00 C ATOM 1452 CD1 ILE A 90 104.418 -8.554 -0.573 1.00 0.00 C ATOM 0 H ILE A 90 105.177 -11.826 3.582 1.00 0.00 H new ATOM 0 HA ILE A 90 102.729 -11.287 2.047 1.00 0.00 H new ATOM 0 HB ILE A 90 103.778 -9.132 1.949 1.00 0.00 H new ATOM 0 HG12 ILE A 90 104.701 -10.696 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 90 103.045 -10.190 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 90 106.177 -8.869 1.374 1.00 0.00 H new ATOM 0 HG22 ILE A 90 105.977 -9.814 2.869 1.00 0.00 H new ATOM 0 HG23 ILE A 90 106.363 -10.639 1.340 1.00 0.00 H new ATOM 0 HD11 ILE A 90 104.249 -8.540 -1.650 1.00 0.00 H new ATOM 0 HD12 ILE A 90 103.781 -7.809 -0.096 1.00 0.00 H new ATOM 0 HD13 ILE A 90 105.463 -8.323 -0.367 1.00 0.00 H new ATOM 1464 N ASP A 91 103.482 -12.938 0.356 1.00 0.00 N ATOM 1465 CA ASP A 91 103.824 -14.089 -0.479 1.00 0.00 C ATOM 1466 C ASP A 91 105.124 -13.874 -1.249 1.00 0.00 C ATOM 1467 O ASP A 91 105.431 -12.767 -1.694 1.00 0.00 O ATOM 1468 CB ASP A 91 102.686 -14.384 -1.462 1.00 0.00 C ATOM 1469 CG ASP A 91 102.730 -15.849 -1.886 1.00 0.00 C ATOM 1470 OD1 ASP A 91 103.544 -16.176 -2.734 1.00 0.00 O ATOM 1471 OD2 ASP A 91 101.949 -16.622 -1.356 1.00 0.00 O ATOM 0 H ASP A 91 102.555 -12.550 0.182 1.00 0.00 H new ATOM 0 HA ASP A 91 103.968 -14.940 0.187 1.00 0.00 H new ATOM 0 HB2 ASP A 91 101.726 -14.160 -0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 91 102.774 -13.741 -2.337 1.00 0.00 H new ATOM 1476 N LEU A 92 105.883 -14.957 -1.391 1.00 0.00 N ATOM 1477 CA LEU A 92 107.157 -14.902 -2.098 1.00 0.00 C ATOM 1478 C LEU A 92 106.953 -14.319 -3.496 1.00 0.00 C ATOM 1479 O LEU A 92 107.744 -13.497 -3.957 1.00 0.00 O ATOM 1480 CB LEU A 92 107.763 -16.308 -2.189 1.00 0.00 C ATOM 1481 CG LEU A 92 108.971 -16.303 -3.140 1.00 0.00 C ATOM 1482 CD1 LEU A 92 110.074 -17.207 -2.579 1.00 0.00 C ATOM 1483 CD2 LEU A 92 108.546 -16.822 -4.520 1.00 0.00 C ATOM 0 H LEU A 92 105.639 -15.878 -1.028 1.00 0.00 H new ATOM 0 HA LEU A 92 107.844 -14.259 -1.549 1.00 0.00 H new ATOM 0 HB2 LEU A 92 108.071 -16.644 -1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 92 107.013 -17.013 -2.546 1.00 0.00 H new ATOM 0 HG LEU A 92 109.346 -15.284 -3.233 1.00 0.00 H new ATOM 0 HD11 LEU A 92 110.929 -17.201 -3.256 1.00 0.00 H new ATOM 0 HD12 LEU A 92 110.383 -16.839 -1.601 1.00 0.00 H new ATOM 0 HD13 LEU A 92 109.696 -18.225 -2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 92 109.405 -16.817 -5.191 1.00 0.00 H new ATOM 0 HD22 LEU A 92 108.166 -17.839 -4.425 1.00 0.00 H new ATOM 0 HD23 LEU A 92 107.765 -16.179 -4.926 1.00 0.00 H new ATOM 1495 N ASP A 93 105.882 -14.740 -4.161 1.00 0.00 N ATOM 1496 CA ASP A 93 105.578 -14.239 -5.495 1.00 0.00 C ATOM 1497 C ASP A 93 105.170 -12.774 -5.410 1.00 0.00 C ATOM 1498 O ASP A 93 105.538 -11.963 -6.260 1.00 0.00 O ATOM 1499 CB ASP A 93 104.443 -15.053 -6.117 1.00 0.00 C ATOM 1500 CG ASP A 93 104.022 -14.430 -7.446 1.00 0.00 C ATOM 1501 OD1 ASP A 93 104.754 -14.586 -8.409 1.00 0.00 O ATOM 1502 OD2 ASP A 93 102.974 -13.805 -7.479 1.00 0.00 O ATOM 0 H ASP A 93 105.215 -15.422 -3.801 1.00 0.00 H new ATOM 0 HA ASP A 93 106.466 -14.334 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 93 104.766 -16.082 -6.274 1.00 0.00 H new ATOM 0 HB3 ASP A 93 103.593 -15.087 -5.436 1.00 0.00 H new ATOM 1507 N SER A 94 104.418 -12.443 -4.365 1.00 0.00 N ATOM 1508 CA SER A 94 103.976 -11.071 -4.157 1.00 0.00 C ATOM 1509 C SER A 94 105.182 -10.180 -3.900 1.00 0.00 C ATOM 1510 O SER A 94 105.223 -9.027 -4.329 1.00 0.00 O ATOM 1511 CB SER A 94 103.027 -10.999 -2.961 1.00 0.00 C ATOM 1512 OG SER A 94 101.733 -11.434 -3.358 1.00 0.00 O ATOM 0 H SER A 94 104.104 -13.103 -3.653 1.00 0.00 H new ATOM 0 HA SER A 94 103.451 -10.730 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 94 103.399 -11.624 -2.149 1.00 0.00 H new ATOM 0 HB3 SER A 94 102.979 -9.978 -2.582 1.00 0.00 H new ATOM 0 HG SER A 94 101.783 -12.358 -3.682 1.00 0.00 H new ATOM 1518 N ILE A 95 106.164 -10.731 -3.198 1.00 0.00 N ATOM 1519 CA ILE A 95 107.376 -9.991 -2.888 1.00 0.00 C ATOM 1520 C ILE A 95 108.058 -9.547 -4.174 1.00 0.00 C ATOM 1521 O ILE A 95 108.610 -8.449 -4.247 1.00 0.00 O ATOM 1522 CB ILE A 95 108.336 -10.872 -2.069 1.00 0.00 C ATOM 1523 CG1 ILE A 95 107.881 -10.895 -0.607 1.00 0.00 C ATOM 1524 CG2 ILE A 95 109.760 -10.311 -2.145 1.00 0.00 C ATOM 1525 CD1 ILE A 95 108.741 -11.874 0.199 1.00 0.00 C ATOM 0 H ILE A 95 106.144 -11.684 -2.835 1.00 0.00 H new ATOM 0 HA ILE A 95 107.111 -9.111 -2.302 1.00 0.00 H new ATOM 0 HB ILE A 95 108.327 -11.883 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 95 107.957 -9.895 -0.179 1.00 0.00 H new ATOM 0 HG13 ILE A 95 106.833 -11.188 -0.549 1.00 0.00 H new ATOM 0 HG21 ILE A 95 110.431 -10.942 -1.562 1.00 0.00 H new ATOM 0 HG22 ILE A 95 110.089 -10.294 -3.184 1.00 0.00 H new ATOM 0 HG23 ILE A 95 109.774 -9.298 -1.743 1.00 0.00 H new ATOM 0 HD11 ILE A 95 108.408 -11.882 1.237 1.00 0.00 H new ATOM 0 HD12 ILE A 95 108.643 -12.875 -0.221 1.00 0.00 H new ATOM 0 HD13 ILE A 95 109.785 -11.563 0.155 1.00 0.00 H new ATOM 1537 N SER A 96 108.032 -10.412 -5.181 1.00 0.00 N ATOM 1538 CA SER A 96 108.674 -10.085 -6.449 1.00 0.00 C ATOM 1539 C SER A 96 107.898 -9.010 -7.201 1.00 0.00 C ATOM 1540 O SER A 96 108.499 -8.095 -7.767 1.00 0.00 O ATOM 1541 CB SER A 96 108.836 -11.328 -7.318 1.00 0.00 C ATOM 1542 OG SER A 96 110.170 -11.396 -7.806 1.00 0.00 O ATOM 0 H SER A 96 107.583 -11.327 -5.148 1.00 0.00 H new ATOM 0 HA SER A 96 109.665 -9.693 -6.221 1.00 0.00 H new ATOM 0 HB2 SER A 96 108.603 -12.222 -6.739 1.00 0.00 H new ATOM 0 HB3 SER A 96 108.134 -11.296 -8.151 1.00 0.00 H new ATOM 0 HG SER A 96 110.274 -12.196 -8.363 1.00 0.00 H new ATOM 1548 N HIS A 97 106.577 -9.109 -7.219 1.00 0.00 N ATOM 1549 CA HIS A 97 105.791 -8.112 -7.927 1.00 0.00 C ATOM 1550 C HIS A 97 106.017 -6.742 -7.294 1.00 0.00 C ATOM 1551 O HIS A 97 106.121 -5.736 -7.992 1.00 0.00 O ATOM 1552 CB HIS A 97 104.307 -8.464 -7.895 1.00 0.00 C ATOM 1553 CG HIS A 97 103.993 -9.502 -8.932 1.00 0.00 C ATOM 1554 ND1 HIS A 97 103.805 -9.178 -10.263 1.00 0.00 N ATOM 1555 CD2 HIS A 97 103.799 -10.856 -8.841 1.00 0.00 C ATOM 1556 CE1 HIS A 97 103.509 -10.313 -10.917 1.00 0.00 C ATOM 1557 NE2 HIS A 97 103.494 -11.369 -10.097 1.00 0.00 N ATOM 0 H HIS A 97 106.040 -9.848 -6.765 1.00 0.00 H new ATOM 0 HA HIS A 97 106.112 -8.091 -8.969 1.00 0.00 H new ATOM 0 HB2 HIS A 97 104.036 -8.835 -6.906 1.00 0.00 H new ATOM 0 HB3 HIS A 97 103.711 -7.569 -8.074 1.00 0.00 H new ATOM 0 HD2 HIS A 97 103.872 -11.436 -7.933 1.00 0.00 H new ATOM 0 HE1 HIS A 97 103.308 -10.366 -11.977 1.00 0.00 H new ATOM 0 HE2 HIS A 97 103.301 -12.341 -10.340 1.00 0.00 H new