USER MOD reduce.3.24.130724 H: found=0, std=0, add=567, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 569 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 16 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.371) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 10:sc= 1.12 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.47 K(o=-0.47,f=-1.6) USER MOD Single : A 32 LYS NZ :NH3+ 137:sc= -0.117 (180deg=-2.31!) USER MOD Single : A 34 CYS SG : rot 109:sc= 1.23 USER MOD Single : A 35 CYS SG : rot 180:sc= -0.329 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -172:sc= 0.377 (180deg=0.309) USER MOD Single : A 42 ASN : amide:sc= -1.43 X(o=-1.4,f=-1.4) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 1.22 (180deg=1.18) USER MOD Single : A 48 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0192 USER MOD Single : A 60 ASN : amide:sc= 0.236 K(o=0.24,f=-4.8!) USER MOD Single : A 64 LYS NZ :NH3+ -160:sc= 2.5 (180deg=1.69) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00143 USER MOD Single : A 74 TYR OH : rot 180:sc= 0.862 USER MOD Single : A 76 TYR OH : rot 0:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 177:sc= 0.733 (180deg=0.689) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 244 N GLU A 14 -6.845 -2.907 8.646 1.00 0.00 N ATOM 245 CA GLU A 14 -6.899 -4.186 7.952 1.00 0.00 C ATOM 246 C GLU A 14 -5.488 -4.695 7.611 1.00 0.00 C ATOM 247 O GLU A 14 -5.237 -5.895 7.591 1.00 0.00 O ATOM 248 CB GLU A 14 -7.694 -4.035 6.645 1.00 0.00 C ATOM 249 CG GLU A 14 -9.117 -3.511 6.810 1.00 0.00 C ATOM 250 CD GLU A 14 -9.987 -4.420 7.637 1.00 0.00 C ATOM 251 OE1 GLU A 14 -10.523 -5.419 7.090 1.00 0.00 O ATOM 252 OE2 GLU A 14 -10.162 -4.160 8.832 1.00 0.00 O ATOM 0 HA GLU A 14 -7.385 -4.903 8.613 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -7.150 -3.362 5.983 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.736 -5.005 6.149 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.084 -2.526 7.276 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.567 -3.383 5.826 1.00 0.00 H new ATOM 259 N ILE A 15 -4.561 -3.776 7.396 1.00 0.00 N ATOM 260 CA ILE A 15 -3.234 -4.154 6.941 1.00 0.00 C ATOM 261 C ILE A 15 -2.362 -4.664 8.108 1.00 0.00 C ATOM 262 O ILE A 15 -1.530 -5.580 7.928 1.00 0.00 O ATOM 263 CB ILE A 15 -2.492 -2.986 6.210 1.00 0.00 C ATOM 264 CG1 ILE A 15 -1.966 -1.977 7.219 1.00 0.00 C ATOM 265 CG2 ILE A 15 -3.453 -2.304 5.250 1.00 0.00 C ATOM 266 CD1 ILE A 15 -0.792 -1.210 6.736 1.00 0.00 C ATOM 0 H ILE A 15 -4.700 -2.774 7.527 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.384 -4.960 6.223 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.646 -3.393 5.655 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.765 -1.280 7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -1.695 -2.500 8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.940 -1.490 4.739 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.808 -3.027 4.516 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.301 -1.906 5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -0.472 -0.510 7.508 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.023 -1.897 6.509 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.063 -0.658 5.836 1.00 0.00 H new ATOM 278 N LYS A 16 -2.600 -4.123 9.318 1.00 0.00 N ATOM 279 CA LYS A 16 -1.768 -4.444 10.487 1.00 0.00 C ATOM 280 C LYS A 16 -1.972 -5.857 10.908 1.00 0.00 C ATOM 281 O LYS A 16 -1.105 -6.473 11.500 1.00 0.00 O ATOM 282 CB LYS A 16 -2.020 -3.528 11.705 1.00 0.00 C ATOM 283 CG LYS A 16 -1.629 -2.057 11.574 1.00 0.00 C ATOM 284 CD LYS A 16 -2.591 -1.271 10.723 1.00 0.00 C ATOM 285 CE LYS A 16 -2.301 0.219 10.789 1.00 0.00 C ATOM 286 NZ LYS A 16 -1.004 0.593 10.188 1.00 0.00 N ATOM 0 H LYS A 16 -3.357 -3.466 9.508 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.741 -4.280 10.159 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -3.082 -3.574 11.946 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.482 -3.945 12.556 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.580 -1.609 12.567 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.630 -1.988 11.143 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.525 -1.610 9.689 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.612 -1.460 11.056 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.098 0.759 10.279 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.315 0.538 11.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -0.418 1.074 10.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.515 -0.263 9.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.166 1.232 9.383 1.00 0.00 H new ATOM 300 N LYS A 17 -3.096 -6.368 10.553 1.00 0.00 N ATOM 301 CA LYS A 17 -3.471 -7.699 10.942 1.00 0.00 C ATOM 302 C LYS A 17 -3.314 -8.669 9.784 1.00 0.00 C ATOM 303 O LYS A 17 -3.681 -9.833 9.888 1.00 0.00 O ATOM 304 CB LYS A 17 -4.908 -7.711 11.472 1.00 0.00 C ATOM 305 CG LYS A 17 -5.951 -7.193 10.486 1.00 0.00 C ATOM 306 CD LYS A 17 -7.353 -7.211 11.075 1.00 0.00 C ATOM 307 CE LYS A 17 -7.472 -6.307 12.296 1.00 0.00 C ATOM 308 NZ LYS A 17 -8.830 -6.346 12.865 1.00 0.00 N ATOM 0 H LYS A 17 -3.789 -5.883 9.984 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.804 -8.024 11.741 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -5.169 -8.731 11.755 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.952 -7.108 12.379 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.696 -6.176 10.190 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.930 -7.803 9.583 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.069 -6.892 10.317 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.616 -8.232 11.353 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.750 -6.617 13.052 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -7.222 -5.283 12.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.877 -5.720 13.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -9.515 -6.026 12.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -9.058 -7.319 13.152 1.00 0.00 H new ATOM 322 N LYS A 18 -2.754 -8.199 8.687 1.00 0.00 N ATOM 323 CA LYS A 18 -2.642 -9.039 7.521 1.00 0.00 C ATOM 324 C LYS A 18 -1.188 -9.192 7.093 1.00 0.00 C ATOM 325 O LYS A 18 -0.745 -10.289 6.744 1.00 0.00 O ATOM 326 CB LYS A 18 -3.513 -8.485 6.414 1.00 0.00 C ATOM 327 CG LYS A 18 -4.187 -9.561 5.581 1.00 0.00 C ATOM 328 CD LYS A 18 -5.247 -8.970 4.671 1.00 0.00 C ATOM 329 CE LYS A 18 -6.325 -8.200 5.448 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.104 -9.055 6.359 1.00 0.00 N ATOM 0 H LYS A 18 -2.377 -7.257 8.582 1.00 0.00 H new ATOM 0 HA LYS A 18 -2.998 -10.041 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.277 -7.842 6.850 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.904 -7.859 5.762 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.440 -10.082 4.982 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.641 -10.302 6.239 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.773 -8.301 3.953 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -5.717 -9.770 4.099 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.851 -7.404 6.023 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.002 -7.722 4.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -7.814 -8.479 6.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.582 -9.800 5.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -6.467 -9.492 7.055 1.00 0.00 H new ATOM 344 N PHE A 19 -0.440 -8.104 7.096 1.00 0.00 N ATOM 345 CA PHE A 19 0.986 -8.210 6.833 1.00 0.00 C ATOM 346 C PHE A 19 1.669 -8.301 8.193 1.00 0.00 C ATOM 347 O PHE A 19 2.643 -9.032 8.369 1.00 0.00 O ATOM 348 CB PHE A 19 1.504 -6.982 6.045 1.00 0.00 C ATOM 349 CG PHE A 19 2.870 -7.152 5.393 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.012 -7.370 6.147 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.006 -7.059 4.025 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.246 -7.487 5.548 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.247 -7.161 3.430 1.00 0.00 C ATOM 354 CZ PHE A 19 5.369 -7.375 4.188 1.00 0.00 C ATOM 0 H PHE A 19 -0.783 -7.160 7.272 1.00 0.00 H new ATOM 0 HA PHE A 19 1.201 -9.086 6.221 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.778 -6.737 5.270 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.547 -6.129 6.722 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.933 -7.449 7.221 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.131 -6.904 3.411 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.122 -7.668 6.153 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.335 -7.071 2.357 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.338 -7.454 3.719 1.00 0.00 H new ATOM 364 N LYS A 20 1.065 -7.597 9.161 1.00 0.00 N ATOM 365 CA LYS A 20 1.534 -7.503 10.542 1.00 0.00 C ATOM 366 C LYS A 20 2.831 -6.731 10.613 1.00 0.00 C ATOM 367 O LYS A 20 3.921 -7.281 10.511 1.00 0.00 O ATOM 368 CB LYS A 20 1.607 -8.872 11.239 1.00 0.00 C ATOM 369 CG LYS A 20 2.074 -8.838 12.682 1.00 0.00 C ATOM 370 CD LYS A 20 2.094 -10.233 13.256 1.00 0.00 C ATOM 371 CE LYS A 20 2.679 -10.269 14.649 1.00 0.00 C ATOM 372 NZ LYS A 20 2.720 -11.648 15.172 1.00 0.00 N ATOM 0 H LYS A 20 0.212 -7.063 8.995 1.00 0.00 H new ATOM 0 HA LYS A 20 0.791 -6.940 11.107 1.00 0.00 H new ATOM 0 HB2 LYS A 20 0.620 -9.333 11.204 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.279 -9.515 10.671 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.070 -8.399 12.739 1.00 0.00 H new ATOM 0 HG3 LYS A 20 1.412 -8.204 13.271 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.079 -10.629 13.280 1.00 0.00 H new ATOM 0 HD3 LYS A 20 2.675 -10.884 12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.686 -9.852 14.635 1.00 0.00 H new ATOM 0 HE3 LYS A 20 2.084 -9.642 15.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.126 -11.644 16.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 1.755 -12.035 15.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.308 -12.238 14.549 1.00 0.00 H new ATOM 386 N LEU A 21 2.687 -5.438 10.746 1.00 0.00 N ATOM 387 CA LEU A 21 3.821 -4.535 10.735 1.00 0.00 C ATOM 388 C LEU A 21 4.231 -4.179 12.140 1.00 0.00 C ATOM 389 O LEU A 21 5.396 -3.903 12.414 1.00 0.00 O ATOM 390 CB LEU A 21 3.495 -3.240 9.973 1.00 0.00 C ATOM 391 CG LEU A 21 2.922 -3.366 8.538 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.689 -4.372 7.733 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.425 -3.677 8.517 1.00 0.00 C ATOM 0 H LEU A 21 1.785 -4.977 10.865 1.00 0.00 H new ATOM 0 HA LEU A 21 4.639 -5.051 10.231 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.781 -2.672 10.569 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.407 -2.646 9.918 1.00 0.00 H new ATOM 0 HG LEU A 21 3.043 -2.387 8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.263 -4.438 6.732 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.732 -4.064 7.664 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.630 -5.347 8.217 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.084 -3.753 7.485 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.242 -4.621 9.030 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.880 -2.879 9.021 1.00 0.00 H new ATOM 405 N THR A 22 3.249 -4.177 13.026 1.00 0.00 N ATOM 406 CA THR A 22 3.399 -3.850 14.442 1.00 0.00 C ATOM 407 C THR A 22 3.927 -2.420 14.688 1.00 0.00 C ATOM 408 O THR A 22 4.461 -2.107 15.753 1.00 0.00 O ATOM 409 CB THR A 22 4.184 -4.950 15.239 1.00 0.00 C ATOM 410 OG1 THR A 22 5.524 -5.156 14.735 1.00 0.00 O ATOM 411 CG2 THR A 22 3.430 -6.261 15.155 1.00 0.00 C ATOM 0 H THR A 22 2.289 -4.411 12.774 1.00 0.00 H new ATOM 0 HA THR A 22 2.390 -3.852 14.854 1.00 0.00 H new ATOM 0 HB THR A 22 4.265 -4.603 16.269 1.00 0.00 H new ATOM 0 HG1 THR A 22 5.742 -4.453 14.088 1.00 0.00 H new ATOM 0 HG21 THR A 22 3.972 -7.028 15.708 1.00 0.00 H new ATOM 0 HG22 THR A 22 2.436 -6.137 15.586 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.338 -6.562 14.111 1.00 0.00 H new ATOM 459 N GLN A 26 8.324 4.483 7.159 1.00 0.00 N ATOM 460 CA GLN A 26 8.458 5.377 6.032 1.00 0.00 C ATOM 461 C GLN A 26 8.599 4.560 4.751 1.00 0.00 C ATOM 462 O GLN A 26 8.643 3.327 4.790 1.00 0.00 O ATOM 463 CB GLN A 26 9.714 6.242 6.200 1.00 0.00 C ATOM 464 CG GLN A 26 11.014 5.460 6.054 1.00 0.00 C ATOM 465 CD GLN A 26 12.244 6.313 6.222 1.00 0.00 C ATOM 466 OE1 GLN A 26 12.738 6.895 5.260 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.756 6.387 7.422 1.00 0.00 N ATOM 0 HA GLN A 26 7.575 6.014 5.978 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.696 7.043 5.461 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.692 6.714 7.182 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.033 4.658 6.792 1.00 0.00 H new ATOM 0 HG3 GLN A 26 11.038 4.989 5.071 1.00 0.00 H new ATOM 0 HE21 GLN A 26 12.316 5.889 8.196 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.595 6.943 7.585 1.00 0.00 H new ATOM 476 N VAL A 27 8.697 5.240 3.642 1.00 0.00 N ATOM 477 CA VAL A 27 8.903 4.600 2.371 1.00 0.00 C ATOM 478 C VAL A 27 10.328 4.127 2.268 1.00 0.00 C ATOM 479 O VAL A 27 11.264 4.834 2.645 1.00 0.00 O ATOM 480 CB VAL A 27 8.618 5.571 1.217 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.954 4.983 -0.120 1.00 0.00 C ATOM 482 CG2 VAL A 27 7.203 5.948 1.227 1.00 0.00 C ATOM 0 H VAL A 27 8.636 6.257 3.594 1.00 0.00 H new ATOM 0 HA VAL A 27 8.219 3.755 2.301 1.00 0.00 H new ATOM 0 HB VAL A 27 9.252 6.445 1.369 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.734 5.709 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.013 4.727 -0.149 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.359 4.084 -0.282 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.004 6.637 0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.588 5.056 1.108 1.00 0.00 H new ATOM 0 HG23 VAL A 27 6.962 6.432 2.174 1.00 0.00 H new ATOM 492 N ILE A 28 10.478 2.958 1.790 1.00 0.00 N ATOM 493 CA ILE A 28 11.762 2.381 1.583 1.00 0.00 C ATOM 494 C ILE A 28 12.223 2.704 0.167 1.00 0.00 C ATOM 495 O ILE A 28 13.389 3.002 -0.061 1.00 0.00 O ATOM 496 CB ILE A 28 11.711 0.841 1.792 1.00 0.00 C ATOM 497 CG1 ILE A 28 11.164 0.498 3.193 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.075 0.207 1.575 1.00 0.00 C ATOM 499 CD1 ILE A 28 11.951 1.096 4.347 1.00 0.00 C ATOM 0 H ILE A 28 9.701 2.353 1.522 1.00 0.00 H new ATOM 0 HA ILE A 28 12.465 2.796 2.305 1.00 0.00 H new ATOM 0 HB ILE A 28 11.031 0.427 1.047 1.00 0.00 H new ATOM 0 HG12 ILE A 28 10.132 0.841 3.259 1.00 0.00 H new ATOM 0 HG13 ILE A 28 11.147 -0.586 3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.004 -0.870 1.729 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.411 0.407 0.558 1.00 0.00 H new ATOM 0 HG23 ILE A 28 13.789 0.629 2.283 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.493 0.801 5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 28 12.978 0.733 4.313 1.00 0.00 H new ATOM 0 HD13 ILE A 28 11.947 2.183 4.266 1.00 0.00 H new ATOM 511 N HIS A 29 11.273 2.731 -0.767 1.00 0.00 N ATOM 512 CA HIS A 29 11.552 2.928 -2.209 1.00 0.00 C ATOM 513 C HIS A 29 10.265 3.178 -2.911 1.00 0.00 C ATOM 514 O HIS A 29 9.198 2.859 -2.389 1.00 0.00 O ATOM 515 CB HIS A 29 12.204 1.691 -2.904 1.00 0.00 C ATOM 516 CG HIS A 29 13.645 1.412 -2.594 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.070 0.231 -2.048 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.761 2.159 -2.776 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.372 0.261 -1.897 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.818 1.416 -2.332 1.00 0.00 N ATOM 0 H HIS A 29 10.282 2.618 -0.555 1.00 0.00 H new ATOM 0 HA HIS A 29 12.252 3.761 -2.271 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.624 0.808 -2.636 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.109 1.820 -3.982 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.806 3.154 -3.193 1.00 0.00 H new ATOM 0 HE1 HIS A 29 15.977 -0.533 -1.484 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.794 1.711 -2.338 1.00 0.00 H new ATOM 529 N LEU A 30 10.343 3.705 -4.081 1.00 0.00 N ATOM 530 CA LEU A 30 9.178 3.898 -4.870 1.00 0.00 C ATOM 531 C LEU A 30 9.147 2.798 -5.874 1.00 0.00 C ATOM 532 O LEU A 30 10.101 2.599 -6.611 1.00 0.00 O ATOM 533 CB LEU A 30 9.129 5.269 -5.586 1.00 0.00 C ATOM 534 CG LEU A 30 9.028 6.538 -4.715 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.306 6.802 -3.944 1.00 0.00 C ATOM 536 CD2 LEU A 30 8.665 7.738 -5.569 1.00 0.00 C ATOM 0 H LEU A 30 11.212 4.014 -4.517 1.00 0.00 H new ATOM 0 HA LEU A 30 8.309 3.885 -4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 30 10.025 5.357 -6.201 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.276 5.261 -6.264 1.00 0.00 H new ATOM 0 HG LEU A 30 8.237 6.370 -3.984 1.00 0.00 H new ATOM 0 HD11 LEU A 30 10.189 7.705 -3.345 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.517 5.957 -3.289 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.132 6.935 -4.643 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.598 8.625 -4.940 1.00 0.00 H new ATOM 0 HD22 LEU A 30 9.432 7.889 -6.329 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.704 7.563 -6.053 1.00 0.00 H new ATOM 548 N ALA A 31 8.121 2.046 -5.854 1.00 0.00 N ATOM 549 CA ALA A 31 7.968 0.987 -6.796 1.00 0.00 C ATOM 550 C ALA A 31 7.130 1.439 -7.939 1.00 0.00 C ATOM 551 O ALA A 31 6.360 2.387 -7.839 1.00 0.00 O ATOM 552 CB ALA A 31 7.399 -0.279 -6.180 1.00 0.00 C ATOM 0 H ALA A 31 7.355 2.138 -5.187 1.00 0.00 H new ATOM 0 HA ALA A 31 8.965 0.731 -7.154 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.307 -1.047 -6.948 1.00 0.00 H new ATOM 0 HB2 ALA A 31 8.065 -0.631 -5.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.417 -0.068 -5.757 1.00 0.00 H new ATOM 558 N LYS A 32 7.306 0.811 -9.012 1.00 0.00 N ATOM 559 CA LYS A 32 6.567 1.090 -10.166 1.00 0.00 C ATOM 560 C LYS A 32 5.596 -0.039 -10.359 1.00 0.00 C ATOM 561 O LYS A 32 5.990 -1.210 -10.265 1.00 0.00 O ATOM 562 CB LYS A 32 7.521 1.244 -11.354 1.00 0.00 C ATOM 563 CG LYS A 32 6.846 1.557 -12.671 1.00 0.00 C ATOM 564 CD LYS A 32 7.823 1.817 -13.820 1.00 0.00 C ATOM 565 CE LYS A 32 8.688 3.066 -13.622 1.00 0.00 C ATOM 566 NZ LYS A 32 9.867 2.848 -12.744 1.00 0.00 N ATOM 0 H LYS A 32 7.989 0.062 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 32 6.013 2.024 -10.079 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.234 2.037 -11.129 1.00 0.00 H new ATOM 0 HB3 LYS A 32 8.093 0.323 -11.465 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.195 0.726 -12.941 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.209 2.432 -12.543 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.473 0.950 -13.935 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.260 1.919 -14.748 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.032 3.416 -14.595 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.072 3.859 -13.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.699 3.314 -13.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.678 3.249 -11.803 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.050 1.828 -12.655 1.00 0.00 H new ATOM 580 N ALA A 33 4.330 0.284 -10.523 1.00 0.00 N ATOM 581 CA ALA A 33 3.350 -0.710 -10.805 1.00 0.00 C ATOM 582 C ALA A 33 3.598 -1.253 -12.177 1.00 0.00 C ATOM 583 O ALA A 33 3.417 -0.547 -13.175 1.00 0.00 O ATOM 584 CB ALA A 33 1.976 -0.132 -10.737 1.00 0.00 C ATOM 0 H ALA A 33 3.967 1.235 -10.463 1.00 0.00 H new ATOM 0 HA ALA A 33 3.424 -1.506 -10.064 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.243 -0.909 -10.956 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.797 0.264 -9.738 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.883 0.671 -11.468 1.00 0.00 H new ATOM 590 N CYS A 34 4.047 -2.464 -12.220 1.00 0.00 N ATOM 591 CA CYS A 34 4.365 -3.132 -13.454 1.00 0.00 C ATOM 592 C CYS A 34 3.089 -3.728 -14.047 1.00 0.00 C ATOM 593 O CYS A 34 2.974 -3.936 -15.268 1.00 0.00 O ATOM 594 CB CYS A 34 5.399 -4.231 -13.159 1.00 0.00 C ATOM 595 SG CYS A 34 6.072 -5.078 -14.602 1.00 0.00 S ATOM 0 H CYS A 34 4.208 -3.033 -11.389 1.00 0.00 H new ATOM 0 HA CYS A 34 4.784 -2.432 -14.177 1.00 0.00 H new ATOM 0 HB2 CYS A 34 6.225 -3.788 -12.603 1.00 0.00 H new ATOM 0 HB3 CYS A 34 4.938 -4.973 -12.507 1.00 0.00 H new ATOM 0 HG CYS A 34 7.311 -4.724 -14.774 1.00 0.00 H new ATOM 601 N CYS A 35 2.114 -3.945 -13.193 1.00 0.00 N ATOM 602 CA CYS A 35 0.881 -4.569 -13.578 1.00 0.00 C ATOM 603 C CYS A 35 -0.296 -3.778 -13.019 1.00 0.00 C ATOM 604 O CYS A 35 -0.197 -3.188 -11.957 1.00 0.00 O ATOM 605 CB CYS A 35 0.834 -5.998 -13.023 1.00 0.00 C ATOM 606 SG CYS A 35 2.277 -7.021 -13.426 1.00 0.00 S ATOM 0 H CYS A 35 2.161 -3.689 -12.207 1.00 0.00 H new ATOM 0 HA CYS A 35 0.819 -4.593 -14.666 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.733 -5.948 -11.939 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.061 -6.491 -13.404 1.00 0.00 H new ATOM 0 HG CYS A 35 2.130 -8.203 -12.906 1.00 0.00 H new ATOM 612 N ASP A 36 -1.359 -3.713 -13.778 1.00 0.00 N ATOM 613 CA ASP A 36 -2.617 -3.140 -13.328 1.00 0.00 C ATOM 614 C ASP A 36 -3.433 -4.205 -12.649 1.00 0.00 C ATOM 615 O ASP A 36 -3.950 -5.137 -13.271 1.00 0.00 O ATOM 616 CB ASP A 36 -3.375 -2.448 -14.477 1.00 0.00 C ATOM 617 CG ASP A 36 -4.887 -2.707 -14.525 1.00 0.00 C ATOM 618 OD1 ASP A 36 -5.635 -2.220 -13.651 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.354 -3.385 -15.462 1.00 0.00 O ATOM 0 H ASP A 36 -1.384 -4.058 -14.738 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.413 -2.354 -12.601 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -3.211 -1.373 -14.401 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.939 -2.771 -15.422 1.00 0.00 H new ATOM 624 N VAL A 37 -3.456 -4.116 -11.378 1.00 0.00 N ATOM 625 CA VAL A 37 -4.116 -5.098 -10.571 1.00 0.00 C ATOM 626 C VAL A 37 -5.312 -4.478 -9.850 1.00 0.00 C ATOM 627 O VAL A 37 -5.316 -3.278 -9.543 1.00 0.00 O ATOM 628 CB VAL A 37 -3.142 -5.774 -9.587 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.700 -4.813 -8.552 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.726 -7.014 -8.954 1.00 0.00 C ATOM 0 H VAL A 37 -3.019 -3.360 -10.851 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.489 -5.883 -11.229 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.275 -6.095 -10.165 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.013 -5.308 -7.866 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.195 -3.972 -9.028 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.566 -4.450 -7.999 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.998 -7.450 -8.270 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.629 -6.751 -8.403 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -3.973 -7.737 -9.731 1.00 0.00 H new ATOM 640 N LYS A 38 -6.292 -5.282 -9.574 1.00 0.00 N ATOM 641 CA LYS A 38 -7.519 -4.848 -8.937 1.00 0.00 C ATOM 642 C LYS A 38 -7.507 -5.117 -7.426 1.00 0.00 C ATOM 643 O LYS A 38 -8.524 -4.932 -6.753 1.00 0.00 O ATOM 644 CB LYS A 38 -8.660 -5.599 -9.596 1.00 0.00 C ATOM 645 CG LYS A 38 -8.540 -7.112 -9.415 1.00 0.00 C ATOM 646 CD LYS A 38 -9.307 -7.867 -10.469 1.00 0.00 C ATOM 647 CE LYS A 38 -10.795 -7.566 -10.437 1.00 0.00 C ATOM 648 NZ LYS A 38 -11.506 -8.297 -11.497 1.00 0.00 N ATOM 0 H LYS A 38 -6.271 -6.280 -9.785 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.633 -3.771 -9.060 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.606 -5.259 -9.176 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.681 -5.363 -10.660 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.489 -7.400 -9.454 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.910 -7.390 -8.428 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.910 -7.615 -11.452 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -9.153 -8.937 -10.328 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.204 -7.840 -9.465 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.955 -6.495 -10.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.521 -8.073 -11.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -11.130 -8.016 -12.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -11.371 -9.320 -11.364 1.00 0.00 H new ATOM 662 N GLY A 39 -6.370 -5.548 -6.906 1.00 0.00 N ATOM 663 CA GLY A 39 -6.271 -5.819 -5.483 1.00 0.00 C ATOM 664 C GLY A 39 -6.957 -7.110 -5.087 1.00 0.00 C ATOM 665 O GLY A 39 -7.875 -7.109 -4.263 1.00 0.00 O ATOM 0 H GLY A 39 -5.516 -5.715 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.220 -5.868 -5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.713 -4.992 -4.928 1.00 0.00 H new ATOM 669 N GLY A 40 -6.525 -8.193 -5.661 1.00 0.00 N ATOM 670 CA GLY A 40 -7.127 -9.474 -5.395 1.00 0.00 C ATOM 671 C GLY A 40 -6.206 -10.321 -4.565 1.00 0.00 C ATOM 672 O GLY A 40 -4.979 -10.141 -4.638 1.00 0.00 O ATOM 0 H GLY A 40 -5.750 -8.219 -6.324 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.074 -9.337 -4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -7.350 -9.980 -6.334 1.00 0.00 H new ATOM 676 N LYS A 41 -6.783 -11.225 -3.758 1.00 0.00 N ATOM 677 CA LYS A 41 -6.020 -12.102 -2.857 1.00 0.00 C ATOM 678 C LYS A 41 -5.260 -11.223 -1.836 1.00 0.00 C ATOM 679 O LYS A 41 -4.181 -11.582 -1.334 1.00 0.00 O ATOM 680 CB LYS A 41 -5.079 -13.024 -3.693 1.00 0.00 C ATOM 681 CG LYS A 41 -4.306 -14.069 -2.902 1.00 0.00 C ATOM 682 CD LYS A 41 -3.514 -14.980 -3.819 1.00 0.00 C ATOM 683 CE LYS A 41 -2.662 -15.961 -3.030 1.00 0.00 C ATOM 684 NZ LYS A 41 -1.592 -15.286 -2.265 1.00 0.00 N ATOM 0 H LYS A 41 -7.792 -11.368 -3.712 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.682 -12.761 -2.296 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.678 -13.535 -4.447 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.365 -12.396 -4.225 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -3.630 -13.574 -2.205 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.999 -14.663 -2.306 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.197 -15.529 -4.467 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.874 -14.380 -4.466 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -3.298 -16.521 -2.344 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.216 -16.683 -3.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -0.957 -15.999 -1.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -1.051 -14.665 -2.899 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.015 -14.719 -1.503 1.00 0.00 H new ATOM 698 N ASN A 42 -5.902 -10.090 -1.493 1.00 0.00 N ATOM 699 CA ASN A 42 -5.362 -9.072 -0.591 1.00 0.00 C ATOM 700 C ASN A 42 -4.167 -8.404 -1.211 1.00 0.00 C ATOM 701 O ASN A 42 -3.037 -8.853 -1.029 1.00 0.00 O ATOM 702 CB ASN A 42 -4.994 -9.650 0.782 1.00 0.00 C ATOM 703 CG ASN A 42 -6.175 -10.126 1.583 1.00 0.00 C ATOM 704 OD1 ASN A 42 -7.245 -9.510 1.582 1.00 0.00 O ATOM 705 ND2 ASN A 42 -6.005 -11.243 2.241 1.00 0.00 N ATOM 0 H ASN A 42 -6.830 -9.858 -1.847 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.147 -8.332 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.304 -10.482 0.641 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.463 -8.889 1.354 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.774 -11.639 2.781 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.103 -11.719 2.214 1.00 0.00 H new ATOM 712 N GLU A 43 -4.414 -7.381 -1.994 1.00 0.00 N ATOM 713 CA GLU A 43 -3.354 -6.657 -2.643 1.00 0.00 C ATOM 714 C GLU A 43 -3.790 -5.197 -2.747 1.00 0.00 C ATOM 715 O GLU A 43 -4.847 -4.836 -2.225 1.00 0.00 O ATOM 716 CB GLU A 43 -3.125 -7.263 -4.032 1.00 0.00 C ATOM 717 CG GLU A 43 -1.733 -7.054 -4.600 1.00 0.00 C ATOM 718 CD GLU A 43 -1.526 -7.814 -5.875 1.00 0.00 C ATOM 719 OE1 GLU A 43 -1.914 -8.990 -5.942 1.00 0.00 O ATOM 720 OE2 GLU A 43 -0.925 -7.287 -6.810 1.00 0.00 O ATOM 0 H GLU A 43 -5.350 -7.031 -2.197 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.421 -6.718 -2.084 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.324 -8.334 -3.982 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.851 -6.835 -4.723 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -1.571 -5.991 -4.781 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.991 -7.369 -3.866 1.00 0.00 H new ATOM 727 N LEU A 44 -3.008 -4.374 -3.383 1.00 0.00 N ATOM 728 CA LEU A 44 -3.363 -2.992 -3.580 1.00 0.00 C ATOM 729 C LEU A 44 -3.924 -2.884 -4.974 1.00 0.00 C ATOM 730 O LEU A 44 -3.637 -3.720 -5.813 1.00 0.00 O ATOM 731 CB LEU A 44 -2.096 -2.128 -3.493 1.00 0.00 C ATOM 732 CG LEU A 44 -2.227 -0.742 -2.818 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.925 -0.056 -2.833 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.252 0.152 -3.450 1.00 0.00 C ATOM 0 H LEU A 44 -2.107 -4.638 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.080 -2.658 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.337 -2.695 -2.954 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.721 -1.976 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.563 -0.937 -1.799 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.022 0.920 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.193 -0.654 -2.290 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.594 0.075 -3.863 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.282 1.103 -2.919 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.989 0.327 -4.493 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.231 -0.324 -3.398 1.00 0.00 H new ATOM 746 N SER A 45 -4.745 -1.922 -5.210 1.00 0.00 N ATOM 747 CA SER A 45 -5.241 -1.720 -6.526 1.00 0.00 C ATOM 748 C SER A 45 -4.486 -0.559 -7.164 1.00 0.00 C ATOM 749 O SER A 45 -4.475 0.562 -6.633 1.00 0.00 O ATOM 750 CB SER A 45 -6.739 -1.489 -6.501 1.00 0.00 C ATOM 751 OG SER A 45 -7.354 -2.405 -5.605 1.00 0.00 O ATOM 0 H SER A 45 -5.087 -1.263 -4.511 1.00 0.00 H new ATOM 0 HA SER A 45 -5.075 -2.611 -7.131 1.00 0.00 H new ATOM 0 HB2 SER A 45 -6.953 -0.466 -6.193 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.152 -1.613 -7.502 1.00 0.00 H new ATOM 0 HG SER A 45 -8.322 -2.250 -5.592 1.00 0.00 H new ATOM 757 N PHE A 46 -3.829 -0.842 -8.258 1.00 0.00 N ATOM 758 CA PHE A 46 -3.011 0.124 -8.942 1.00 0.00 C ATOM 759 C PHE A 46 -2.958 -0.172 -10.419 1.00 0.00 C ATOM 760 O PHE A 46 -3.269 -1.285 -10.849 1.00 0.00 O ATOM 761 CB PHE A 46 -1.598 0.170 -8.337 1.00 0.00 C ATOM 762 CG PHE A 46 -0.959 -1.174 -8.104 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.302 -1.840 -9.117 1.00 0.00 C ATOM 764 CD2 PHE A 46 -0.999 -1.753 -6.856 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.300 -3.057 -8.892 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.401 -2.966 -6.625 1.00 0.00 C ATOM 767 CZ PHE A 46 0.254 -3.621 -7.644 1.00 0.00 C ATOM 0 H PHE A 46 -3.847 -1.759 -8.704 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.463 1.107 -8.812 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -0.955 0.751 -8.998 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.643 0.703 -7.387 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.259 -1.400 -10.102 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.507 -1.246 -6.049 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.808 -3.567 -9.698 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.444 -3.409 -5.641 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.729 -4.574 -7.461 1.00 0.00 H new ATOM 777 N LYS A 47 -2.570 0.814 -11.177 1.00 0.00 N ATOM 778 CA LYS A 47 -2.476 0.720 -12.614 1.00 0.00 C ATOM 779 C LYS A 47 -1.042 0.667 -13.006 1.00 0.00 C ATOM 780 O LYS A 47 -0.209 1.174 -12.281 1.00 0.00 O ATOM 781 CB LYS A 47 -3.121 1.952 -13.250 1.00 0.00 C ATOM 782 CG LYS A 47 -4.614 1.997 -13.088 1.00 0.00 C ATOM 783 CD LYS A 47 -5.262 0.896 -13.882 1.00 0.00 C ATOM 784 CE LYS A 47 -6.761 0.861 -13.702 1.00 0.00 C ATOM 785 NZ LYS A 47 -7.346 -0.255 -14.464 1.00 0.00 N ATOM 0 H LYS A 47 -2.303 1.727 -10.809 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.990 -0.179 -12.955 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -2.688 2.849 -12.807 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.878 1.972 -14.312 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.875 1.896 -12.035 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.993 2.964 -13.419 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.029 1.028 -14.939 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.840 -0.063 -13.580 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -7.004 0.754 -12.645 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -7.195 1.804 -14.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.383 -0.214 -14.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -7.059 -0.183 -15.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.009 -1.157 -14.072 1.00 0.00 H new ATOM 799 N GLN A 48 -0.752 0.026 -14.112 1.00 0.00 N ATOM 800 CA GLN A 48 0.615 0.007 -14.649 1.00 0.00 C ATOM 801 C GLN A 48 1.089 1.459 -14.835 1.00 0.00 C ATOM 802 O GLN A 48 0.567 2.177 -15.690 1.00 0.00 O ATOM 803 CB GLN A 48 0.661 -0.685 -16.012 1.00 0.00 C ATOM 804 CG GLN A 48 0.087 -2.069 -16.036 1.00 0.00 C ATOM 805 CD GLN A 48 0.207 -2.710 -17.387 1.00 0.00 C ATOM 806 OE1 GLN A 48 -0.682 -2.590 -18.231 1.00 0.00 O ATOM 807 NE2 GLN A 48 1.294 -3.402 -17.606 1.00 0.00 N ATOM 0 H GLN A 48 -1.432 -0.493 -14.667 1.00 0.00 H new ATOM 0 HA GLN A 48 1.254 -0.536 -13.952 1.00 0.00 H new ATOM 0 HB2 GLN A 48 0.122 -0.071 -16.733 1.00 0.00 H new ATOM 0 HB3 GLN A 48 1.698 -0.731 -16.345 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.599 -2.685 -15.297 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -0.963 -2.030 -15.747 1.00 0.00 H new ATOM 0 HE21 GLN A 48 2.006 -3.476 -16.880 1.00 0.00 H new ATOM 0 HE22 GLN A 48 1.430 -3.868 -18.503 1.00 0.00 H new ATOM 816 N GLY A 49 2.050 1.876 -14.042 1.00 0.00 N ATOM 817 CA GLY A 49 2.503 3.256 -14.094 1.00 0.00 C ATOM 818 C GLY A 49 1.820 4.135 -13.041 1.00 0.00 C ATOM 819 O GLY A 49 1.701 5.344 -13.214 1.00 0.00 O ATOM 0 H GLY A 49 2.531 1.291 -13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.582 3.287 -13.945 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.307 3.663 -15.086 1.00 0.00 H new ATOM 823 N GLU A 50 1.362 3.516 -11.965 1.00 0.00 N ATOM 824 CA GLU A 50 0.687 4.216 -10.860 1.00 0.00 C ATOM 825 C GLU A 50 1.695 4.969 -9.984 1.00 0.00 C ATOM 826 O GLU A 50 1.454 6.110 -9.574 1.00 0.00 O ATOM 827 CB GLU A 50 -0.045 3.190 -9.988 1.00 0.00 C ATOM 828 CG GLU A 50 -0.922 3.769 -8.884 1.00 0.00 C ATOM 829 CD GLU A 50 -2.105 4.547 -9.408 1.00 0.00 C ATOM 830 OE1 GLU A 50 -3.179 3.945 -9.610 1.00 0.00 O ATOM 831 OE2 GLU A 50 -1.991 5.772 -9.605 1.00 0.00 O ATOM 0 H GLU A 50 1.443 2.509 -11.823 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.013 4.933 -11.288 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.667 2.569 -10.633 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.696 2.533 -9.532 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.281 2.957 -8.251 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.317 4.421 -8.254 1.00 0.00 H new ATOM 838 N GLN A 51 2.819 4.317 -9.766 1.00 0.00 N ATOM 839 CA GLN A 51 3.902 4.735 -8.844 1.00 0.00 C ATOM 840 C GLN A 51 3.475 4.445 -7.413 1.00 0.00 C ATOM 841 O GLN A 51 2.581 5.093 -6.856 1.00 0.00 O ATOM 842 CB GLN A 51 4.343 6.203 -9.020 1.00 0.00 C ATOM 843 CG GLN A 51 5.546 6.600 -8.174 1.00 0.00 C ATOM 844 CD GLN A 51 5.935 8.050 -8.371 1.00 0.00 C ATOM 845 OE1 GLN A 51 6.716 8.381 -9.259 1.00 0.00 O ATOM 846 NE2 GLN A 51 5.419 8.925 -7.555 1.00 0.00 N ATOM 0 H GLN A 51 3.030 3.439 -10.240 1.00 0.00 H new ATOM 0 HA GLN A 51 4.787 4.150 -9.094 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.578 6.376 -10.070 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.506 6.855 -8.769 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.320 6.427 -7.122 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.392 5.962 -8.428 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.773 8.623 -6.826 1.00 0.00 H new ATOM 0 HE22 GLN A 51 5.661 9.912 -7.645 1.00 0.00 H new ATOM 855 N ILE A 52 4.092 3.456 -6.849 1.00 0.00 N ATOM 856 CA ILE A 52 3.740 2.939 -5.560 1.00 0.00 C ATOM 857 C ILE A 52 4.925 3.159 -4.639 1.00 0.00 C ATOM 858 O ILE A 52 6.006 3.435 -5.104 1.00 0.00 O ATOM 859 CB ILE A 52 3.464 1.416 -5.693 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.607 1.168 -6.940 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.770 0.858 -4.445 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.154 -0.236 -7.096 1.00 0.00 C ATOM 0 H ILE A 52 4.877 2.970 -7.283 1.00 0.00 H new ATOM 0 HA ILE A 52 2.853 3.435 -5.165 1.00 0.00 H new ATOM 0 HB ILE A 52 4.417 0.896 -5.792 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.733 1.818 -6.902 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.179 1.454 -7.823 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.593 -0.210 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.405 1.018 -3.574 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.818 1.369 -4.299 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.554 -0.326 -8.002 1.00 0.00 H new ATOM 0 HD12 ILE A 52 3.021 -0.892 -7.168 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.553 -0.522 -6.233 1.00 0.00 H new ATOM 874 N GLU A 53 4.730 3.089 -3.372 1.00 0.00 N ATOM 875 CA GLU A 53 5.821 3.202 -2.455 1.00 0.00 C ATOM 876 C GLU A 53 5.890 1.916 -1.658 1.00 0.00 C ATOM 877 O GLU A 53 4.859 1.402 -1.227 1.00 0.00 O ATOM 878 CB GLU A 53 5.606 4.360 -1.501 1.00 0.00 C ATOM 879 CG GLU A 53 5.098 5.644 -2.145 1.00 0.00 C ATOM 880 CD GLU A 53 4.854 6.739 -1.135 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.914 6.625 -0.298 1.00 0.00 O ATOM 882 OE2 GLU A 53 5.587 7.755 -1.155 1.00 0.00 O ATOM 0 H GLU A 53 3.818 2.953 -2.937 1.00 0.00 H new ATOM 0 HA GLU A 53 6.744 3.378 -3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.896 4.051 -0.734 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.548 4.574 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.823 5.989 -2.882 1.00 0.00 H new ATOM 0 HG3 GLU A 53 4.172 5.436 -2.682 1.00 0.00 H new ATOM 889 N ILE A 54 7.066 1.383 -1.487 1.00 0.00 N ATOM 890 CA ILE A 54 7.238 0.181 -0.702 1.00 0.00 C ATOM 891 C ILE A 54 7.573 0.575 0.732 1.00 0.00 C ATOM 892 O ILE A 54 8.440 1.419 0.960 1.00 0.00 O ATOM 893 CB ILE A 54 8.341 -0.786 -1.297 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.513 -2.039 -0.454 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.672 -0.117 -1.462 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.330 -2.942 -0.463 1.00 0.00 C ATOM 0 H ILE A 54 7.928 1.760 -1.881 1.00 0.00 H new ATOM 0 HA ILE A 54 6.304 -0.380 -0.728 1.00 0.00 H new ATOM 0 HB ILE A 54 7.975 -1.066 -2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.381 -2.591 -0.815 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.726 -1.746 0.574 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.388 -0.828 -1.873 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.572 0.730 -2.140 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.025 0.234 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.532 -3.812 0.161 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.463 -2.409 -0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.128 -3.267 -1.484 1.00 0.00 H new ATOM 908 N ILE A 55 6.852 0.033 1.668 1.00 0.00 N ATOM 909 CA ILE A 55 7.086 0.332 3.071 1.00 0.00 C ATOM 910 C ILE A 55 7.595 -0.874 3.843 1.00 0.00 C ATOM 911 O ILE A 55 8.513 -0.758 4.645 1.00 0.00 O ATOM 912 CB ILE A 55 5.866 0.983 3.812 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.525 0.304 3.460 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.806 2.488 3.557 1.00 0.00 C ATOM 915 CD1 ILE A 55 3.917 0.765 2.150 1.00 0.00 C ATOM 0 H ILE A 55 6.090 -0.623 1.496 1.00 0.00 H new ATOM 0 HA ILE A 55 7.869 1.090 3.051 1.00 0.00 H new ATOM 0 HB ILE A 55 6.026 0.823 4.878 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.678 -0.774 3.417 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.813 0.493 4.264 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.951 2.912 4.083 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.722 2.955 3.918 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.702 2.672 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.978 0.239 1.980 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.729 1.838 2.194 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.606 0.551 1.333 1.00 0.00 H new ATOM 927 N ARG A 56 7.031 -2.038 3.600 1.00 0.00 N ATOM 928 CA ARG A 56 7.478 -3.221 4.311 1.00 0.00 C ATOM 929 C ARG A 56 7.793 -4.333 3.314 1.00 0.00 C ATOM 930 O ARG A 56 6.985 -4.637 2.445 1.00 0.00 O ATOM 931 CB ARG A 56 6.412 -3.718 5.289 1.00 0.00 C ATOM 932 CG ARG A 56 6.886 -4.816 6.237 1.00 0.00 C ATOM 933 CD ARG A 56 7.447 -4.310 7.564 1.00 0.00 C ATOM 934 NE ARG A 56 8.721 -3.606 7.468 1.00 0.00 N ATOM 935 CZ ARG A 56 9.540 -3.404 8.507 1.00 0.00 C ATOM 936 NH1 ARG A 56 9.247 -3.891 9.714 1.00 0.00 N ATOM 937 NH2 ARG A 56 10.660 -2.746 8.324 1.00 0.00 N ATOM 0 H ARG A 56 6.277 -2.192 2.930 1.00 0.00 H new ATOM 0 HA ARG A 56 8.372 -2.955 4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.057 -2.874 5.880 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.560 -4.090 4.720 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.051 -5.486 6.442 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.653 -5.406 5.735 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.715 -3.644 8.020 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.568 -5.159 8.237 1.00 0.00 H new ATOM 0 HE ARG A 56 9.004 -3.247 6.556 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.389 -4.425 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.881 -3.729 10.497 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.899 -2.394 7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.292 -2.586 9.109 1.00 0.00 H new ATOM 951 N ILE A 57 8.967 -4.893 3.434 1.00 0.00 N ATOM 952 CA ILE A 57 9.421 -6.021 2.603 1.00 0.00 C ATOM 953 C ILE A 57 9.879 -7.155 3.492 1.00 0.00 C ATOM 954 O ILE A 57 10.189 -8.251 3.030 1.00 0.00 O ATOM 955 CB ILE A 57 10.616 -5.662 1.626 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.742 -4.852 2.312 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.144 -4.960 0.379 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.373 -3.404 2.589 1.00 0.00 C ATOM 0 H ILE A 57 9.660 -4.587 4.117 1.00 0.00 H new ATOM 0 HA ILE A 57 8.564 -6.299 1.990 1.00 0.00 H new ATOM 0 HB ILE A 57 11.043 -6.621 1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 57 12.005 -5.337 3.252 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.631 -4.877 1.681 1.00 0.00 H new ATOM 0 HG21 ILE A 57 10.999 -4.735 -0.258 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.449 -5.604 -0.160 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.641 -4.032 0.652 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.211 -2.901 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.139 -2.902 1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.503 -3.369 3.245 1.00 0.00 H new ATOM 970 N THR A 58 9.920 -6.886 4.760 1.00 0.00 N ATOM 971 CA THR A 58 10.432 -7.792 5.719 1.00 0.00 C ATOM 972 C THR A 58 9.335 -8.316 6.633 1.00 0.00 C ATOM 973 O THR A 58 8.330 -7.631 6.857 1.00 0.00 O ATOM 974 CB THR A 58 11.528 -7.081 6.504 1.00 0.00 C ATOM 975 OG1 THR A 58 11.080 -5.743 6.812 1.00 0.00 O ATOM 976 CG2 THR A 58 12.780 -6.999 5.663 1.00 0.00 C ATOM 0 H THR A 58 9.589 -6.007 5.158 1.00 0.00 H new ATOM 0 HA THR A 58 10.849 -8.665 5.217 1.00 0.00 H new ATOM 0 HB THR A 58 11.742 -7.630 7.421 1.00 0.00 H new ATOM 0 HG1 THR A 58 11.775 -5.274 7.319 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.563 -6.490 6.225 1.00 0.00 H new ATOM 0 HG22 THR A 58 13.112 -8.005 5.406 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.569 -6.442 4.750 1.00 0.00 H new ATOM 984 N ASP A 59 9.531 -9.541 7.127 1.00 0.00 N ATOM 985 CA ASP A 59 8.570 -10.256 7.989 1.00 0.00 C ATOM 986 C ASP A 59 7.223 -10.353 7.280 1.00 0.00 C ATOM 987 O ASP A 59 6.187 -9.863 7.743 1.00 0.00 O ATOM 988 CB ASP A 59 8.465 -9.618 9.395 1.00 0.00 C ATOM 989 CG ASP A 59 7.620 -10.435 10.357 1.00 0.00 C ATOM 990 OD1 ASP A 59 7.917 -11.638 10.568 1.00 0.00 O ATOM 991 OD2 ASP A 59 6.678 -9.889 10.973 1.00 0.00 O ATOM 0 H ASP A 59 10.377 -10.079 6.939 1.00 0.00 H new ATOM 0 HA ASP A 59 8.934 -11.269 8.160 1.00 0.00 H new ATOM 0 HB2 ASP A 59 9.466 -9.500 9.810 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.038 -8.619 9.304 1.00 0.00 H new ATOM 996 N ASN A 60 7.290 -10.930 6.108 1.00 0.00 N ATOM 997 CA ASN A 60 6.173 -11.048 5.193 1.00 0.00 C ATOM 998 C ASN A 60 5.606 -12.479 5.137 1.00 0.00 C ATOM 999 O ASN A 60 6.193 -13.377 4.526 1.00 0.00 O ATOM 1000 CB ASN A 60 6.573 -10.506 3.795 1.00 0.00 C ATOM 1001 CG ASN A 60 7.821 -11.143 3.168 1.00 0.00 C ATOM 1002 OD1 ASN A 60 8.715 -11.650 3.855 1.00 0.00 O ATOM 1003 ND2 ASN A 60 7.925 -11.053 1.866 1.00 0.00 N ATOM 0 H ASN A 60 8.149 -11.346 5.748 1.00 0.00 H new ATOM 0 HA ASN A 60 5.357 -10.432 5.571 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.733 -10.650 3.115 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.737 -9.431 3.875 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.758 -11.406 1.395 1.00 0.00 H new ATOM 0 HD22 ASN A 60 7.173 -10.630 1.322 1.00 0.00 H new ATOM 1010 N PRO A 61 4.421 -12.686 5.748 1.00 0.00 N ATOM 1011 CA PRO A 61 3.798 -14.017 5.905 1.00 0.00 C ATOM 1012 C PRO A 61 3.347 -14.682 4.598 1.00 0.00 C ATOM 1013 O PRO A 61 3.217 -15.903 4.538 1.00 0.00 O ATOM 1014 CB PRO A 61 2.568 -13.743 6.790 1.00 0.00 C ATOM 1015 CG PRO A 61 2.767 -12.374 7.342 1.00 0.00 C ATOM 1016 CD PRO A 61 3.583 -11.631 6.335 1.00 0.00 C ATOM 0 HA PRO A 61 4.525 -14.715 6.320 1.00 0.00 H new ATOM 0 HB2 PRO A 61 1.647 -13.801 6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 61 2.488 -14.480 7.589 1.00 0.00 H new ATOM 0 HG2 PRO A 61 1.810 -11.879 7.509 1.00 0.00 H new ATOM 0 HG3 PRO A 61 3.278 -12.413 8.304 1.00 0.00 H new ATOM 0 HD2 PRO A 61 2.957 -11.148 5.585 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.184 -10.849 6.800 1.00 0.00 H new ATOM 1024 N GLU A 62 3.101 -13.904 3.572 1.00 0.00 N ATOM 1025 CA GLU A 62 2.623 -14.467 2.321 1.00 0.00 C ATOM 1026 C GLU A 62 3.707 -14.344 1.248 1.00 0.00 C ATOM 1027 O GLU A 62 3.541 -14.768 0.102 1.00 0.00 O ATOM 1028 CB GLU A 62 1.306 -13.781 1.915 1.00 0.00 C ATOM 1029 CG GLU A 62 0.572 -14.430 0.752 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.836 -13.921 0.611 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -1.627 -14.115 1.546 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -1.199 -13.360 -0.447 1.00 0.00 O ATOM 0 H GLU A 62 3.220 -12.891 3.571 1.00 0.00 H new ATOM 0 HA GLU A 62 2.411 -15.529 2.442 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.642 -13.764 2.779 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.519 -12.744 1.656 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.119 -14.240 -0.172 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.553 -15.510 0.895 1.00 0.00 H new ATOM 1039 N GLY A 63 4.829 -13.777 1.641 1.00 0.00 N ATOM 1040 CA GLY A 63 5.931 -13.602 0.722 1.00 0.00 C ATOM 1041 C GLY A 63 5.676 -12.475 -0.245 1.00 0.00 C ATOM 1042 O GLY A 63 6.315 -12.379 -1.297 1.00 0.00 O ATOM 0 H GLY A 63 5.000 -13.432 2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.844 -13.401 1.283 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.094 -14.527 0.168 1.00 0.00 H new ATOM 1046 N LYS A 64 4.737 -11.638 0.097 1.00 0.00 N ATOM 1047 CA LYS A 64 4.381 -10.522 -0.692 1.00 0.00 C ATOM 1048 C LYS A 64 4.833 -9.265 0.052 1.00 0.00 C ATOM 1049 O LYS A 64 5.110 -9.337 1.251 1.00 0.00 O ATOM 1050 CB LYS A 64 2.868 -10.564 -0.944 1.00 0.00 C ATOM 1051 CG LYS A 64 1.977 -10.138 0.215 1.00 0.00 C ATOM 1052 CD LYS A 64 0.548 -10.639 0.032 1.00 0.00 C ATOM 1053 CE LYS A 64 0.006 -10.389 -1.368 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.354 -10.925 -1.523 1.00 0.00 N ATOM 0 H LYS A 64 4.193 -11.727 0.955 1.00 0.00 H new ATOM 0 HA LYS A 64 4.867 -10.527 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.646 -9.925 -1.799 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.597 -11.581 -1.228 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.383 -10.525 1.149 1.00 0.00 H new ATOM 0 HG3 LYS A 64 1.976 -9.051 0.294 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.513 -11.708 0.244 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.099 -10.149 0.759 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.002 -9.318 -1.572 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.666 -10.850 -2.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.565 -11.050 -2.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.423 -11.843 -1.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.038 -10.262 -1.106 1.00 0.00 H new ATOM 1068 N TRP A 65 4.939 -8.164 -0.637 1.00 0.00 N ATOM 1069 CA TRP A 65 5.443 -6.922 -0.055 1.00 0.00 C ATOM 1070 C TRP A 65 4.290 -6.038 0.383 1.00 0.00 C ATOM 1071 O TRP A 65 3.158 -6.393 0.195 1.00 0.00 O ATOM 1072 CB TRP A 65 6.316 -6.173 -1.064 1.00 0.00 C ATOM 1073 CG TRP A 65 7.627 -6.827 -1.368 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.325 -7.679 -0.557 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.425 -6.661 -2.555 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.490 -8.058 -1.164 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.579 -7.450 -2.390 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.274 -5.932 -3.743 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.573 -7.529 -3.362 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.263 -6.013 -4.704 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.397 -6.804 -4.509 1.00 0.00 C ATOM 0 H TRP A 65 4.682 -8.088 -1.621 1.00 0.00 H new ATOM 0 HA TRP A 65 6.048 -7.174 0.816 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.758 -6.061 -1.993 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.506 -5.169 -0.684 1.00 0.00 H new ATOM 0 HD1 TRP A 65 8.003 -8.005 0.421 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.183 -8.693 -0.768 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.400 -5.318 -3.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.451 -8.140 -3.216 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 9.157 -5.455 -5.622 1.00 0.00 H new ATOM 0 HH2 TRP A 65 11.152 -6.844 -5.280 1.00 0.00 H new ATOM 1092 N LEU A 66 4.583 -4.916 0.997 1.00 0.00 N ATOM 1093 CA LEU A 66 3.552 -3.971 1.389 1.00 0.00 C ATOM 1094 C LEU A 66 3.768 -2.677 0.659 1.00 0.00 C ATOM 1095 O LEU A 66 4.763 -1.977 0.911 1.00 0.00 O ATOM 1096 CB LEU A 66 3.562 -3.715 2.904 1.00 0.00 C ATOM 1097 CG LEU A 66 2.515 -2.718 3.428 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.108 -3.203 3.161 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.711 -2.463 4.905 1.00 0.00 C ATOM 0 H LEU A 66 5.532 -4.630 1.239 1.00 0.00 H new ATOM 0 HA LEU A 66 2.583 -4.397 1.130 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.415 -4.667 3.414 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.551 -3.353 3.184 1.00 0.00 H new ATOM 0 HG LEU A 66 2.656 -1.781 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.393 -2.475 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 66 0.962 -3.324 2.088 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.953 -4.160 3.659 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.960 -1.755 5.255 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.609 -3.400 5.453 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.705 -2.050 5.074 1.00 0.00 H new ATOM 1111 N GLY A 67 2.872 -2.361 -0.237 1.00 0.00 N ATOM 1112 CA GLY A 67 2.996 -1.159 -0.986 1.00 0.00 C ATOM 1113 C GLY A 67 1.895 -0.197 -0.653 1.00 0.00 C ATOM 1114 O GLY A 67 0.831 -0.605 -0.184 1.00 0.00 O ATOM 0 H GLY A 67 2.052 -2.925 -0.459 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.961 -0.697 -0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.973 -1.387 -2.052 1.00 0.00 H new ATOM 1118 N ARG A 68 2.148 1.059 -0.864 1.00 0.00 N ATOM 1119 CA ARG A 68 1.185 2.100 -0.626 1.00 0.00 C ATOM 1120 C ARG A 68 1.208 3.072 -1.762 1.00 0.00 C ATOM 1121 O ARG A 68 2.221 3.274 -2.393 1.00 0.00 O ATOM 1122 CB ARG A 68 1.483 2.832 0.700 1.00 0.00 C ATOM 1123 CG ARG A 68 0.552 3.996 1.051 1.00 0.00 C ATOM 1124 CD ARG A 68 1.088 4.818 2.213 1.00 0.00 C ATOM 1125 NE ARG A 68 2.360 5.487 1.902 1.00 0.00 N ATOM 1126 CZ ARG A 68 3.234 5.946 2.813 1.00 0.00 C ATOM 1127 NH1 ARG A 68 3.064 5.692 4.115 1.00 0.00 N ATOM 1128 NH2 ARG A 68 4.290 6.615 2.404 1.00 0.00 N ATOM 0 H ARG A 68 3.044 1.399 -1.213 1.00 0.00 H new ATOM 0 HA ARG A 68 0.196 1.649 -0.551 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.443 2.104 1.510 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.505 3.210 0.661 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.428 4.638 0.179 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.435 3.608 1.305 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.348 5.568 2.493 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.227 4.169 3.077 1.00 0.00 H new ATOM 0 HE ARG A 68 2.597 5.612 0.918 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.263 5.143 4.427 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.736 6.047 4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.436 6.779 1.408 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.963 6.970 3.083 1.00 0.00 H new ATOM 1142 N THR A 69 0.092 3.630 -2.030 1.00 0.00 N ATOM 1143 CA THR A 69 -0.021 4.654 -3.032 1.00 0.00 C ATOM 1144 C THR A 69 -0.075 5.977 -2.255 1.00 0.00 C ATOM 1145 O THR A 69 -0.417 5.941 -1.073 1.00 0.00 O ATOM 1146 CB THR A 69 -1.311 4.427 -3.845 1.00 0.00 C ATOM 1147 OG1 THR A 69 -1.441 3.016 -4.091 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.221 5.114 -5.190 1.00 0.00 C ATOM 0 H THR A 69 -0.786 3.398 -1.565 1.00 0.00 H new ATOM 0 HA THR A 69 0.809 4.652 -3.739 1.00 0.00 H new ATOM 0 HB THR A 69 -2.157 4.826 -3.286 1.00 0.00 H new ATOM 0 HG1 THR A 69 -2.257 2.848 -4.606 1.00 0.00 H new ATOM 0 HG21 THR A 69 -2.141 4.942 -5.749 1.00 0.00 H new ATOM 0 HG22 THR A 69 -1.081 6.185 -5.043 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.376 4.711 -5.749 1.00 0.00 H new ATOM 1156 N ALA A 70 0.259 7.107 -2.872 1.00 0.00 N ATOM 1157 CA ALA A 70 0.313 8.420 -2.174 1.00 0.00 C ATOM 1158 C ALA A 70 -0.975 8.744 -1.390 1.00 0.00 C ATOM 1159 O ALA A 70 -0.930 9.381 -0.325 1.00 0.00 O ATOM 1160 CB ALA A 70 0.627 9.536 -3.161 1.00 0.00 C ATOM 0 H ALA A 70 0.501 7.155 -3.862 1.00 0.00 H new ATOM 0 HA ALA A 70 1.115 8.347 -1.440 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.663 10.489 -2.633 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.592 9.345 -3.631 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.148 9.574 -3.926 1.00 0.00 H new ATOM 1166 N ARG A 71 -2.100 8.282 -1.912 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.421 8.456 -1.301 1.00 0.00 C ATOM 1168 C ARG A 71 -3.482 7.718 0.063 1.00 0.00 C ATOM 1169 O ARG A 71 -4.218 8.107 0.966 1.00 0.00 O ATOM 1170 CB ARG A 71 -4.492 7.919 -2.293 1.00 0.00 C ATOM 1171 CG ARG A 71 -5.947 8.316 -2.019 1.00 0.00 C ATOM 1172 CD ARG A 71 -6.605 7.550 -0.874 1.00 0.00 C ATOM 1173 NE ARG A 71 -7.887 8.161 -0.533 1.00 0.00 N ATOM 1174 CZ ARG A 71 -8.896 7.599 0.133 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -8.791 6.355 0.615 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -10.007 8.300 0.319 1.00 0.00 N ATOM 0 H ARG A 71 -2.128 7.764 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.616 9.510 -1.104 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.229 8.260 -3.294 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.432 6.831 -2.301 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.984 9.382 -1.795 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -6.530 8.160 -2.927 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.754 6.509 -1.161 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.950 7.550 -0.003 1.00 0.00 H new ATOM 0 HE ARG A 71 -8.026 9.124 -0.838 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.931 5.825 0.475 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.571 5.937 1.123 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -10.077 9.250 -0.045 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -10.791 7.889 0.826 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.673 6.702 0.203 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.664 5.901 1.399 1.00 0.00 C ATOM 1192 C GLY A 72 -3.592 4.744 1.263 1.00 0.00 C ATOM 1193 O GLY A 72 -4.775 4.825 1.592 1.00 0.00 O ATOM 0 H GLY A 72 -2.003 6.406 -0.507 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.654 5.542 1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.957 6.511 2.254 1.00 0.00 H new ATOM 1197 N SER A 73 -3.058 3.687 0.756 1.00 0.00 N ATOM 1198 CA SER A 73 -3.724 2.506 0.462 1.00 0.00 C ATOM 1199 C SER A 73 -2.617 1.543 0.567 1.00 0.00 C ATOM 1200 O SER A 73 -1.606 1.730 -0.079 1.00 0.00 O ATOM 1201 CB SER A 73 -4.256 2.504 -0.969 1.00 0.00 C ATOM 1202 OG SER A 73 -5.004 3.690 -1.272 1.00 0.00 O ATOM 0 H SER A 73 -2.065 3.643 0.525 1.00 0.00 H new ATOM 0 HA SER A 73 -4.587 2.315 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.422 2.415 -1.665 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.889 1.629 -1.118 1.00 0.00 H new ATOM 0 HG SER A 73 -5.324 3.647 -2.197 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.750 0.626 1.369 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.714 -0.309 1.632 1.00 0.00 C ATOM 1210 C TYR A 74 -2.143 -1.625 1.181 1.00 0.00 C ATOM 1211 O TYR A 74 -2.900 -2.327 1.867 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.408 -0.396 3.088 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.654 0.751 3.711 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.300 1.899 4.136 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.712 0.665 3.899 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.598 2.930 4.728 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.419 1.685 4.489 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.765 2.814 4.902 1.00 0.00 C ATOM 1219 OH TYR A 74 1.479 3.848 5.481 1.00 0.00 O ATOM 0 H TYR A 74 -3.603 0.463 1.904 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.819 0.023 1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.351 -0.509 3.624 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.834 -1.307 3.257 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.368 1.990 4.003 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.235 -0.223 3.575 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.113 3.822 5.053 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.487 1.596 4.626 1.00 0.00 H new ATOM 0 HH TYR A 74 2.427 3.604 5.530 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.747 -1.946 0.048 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.045 -3.174 -0.448 1.00 0.00 C ATOM 1231 C GLY A 75 -0.825 -3.950 -0.522 1.00 0.00 C ATOM 1232 O GLY A 75 0.091 -3.614 -1.275 1.00 0.00 O ATOM 0 H GLY A 75 -1.197 -1.349 -0.569 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.773 -3.674 0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.497 -3.084 -1.436 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.738 -4.836 0.383 1.00 0.00 N ATOM 1237 CA TYR A 76 0.274 -5.876 0.398 1.00 0.00 C ATOM 1238 C TYR A 76 0.315 -6.547 -0.977 1.00 0.00 C ATOM 1239 O TYR A 76 -0.511 -7.372 -1.316 1.00 0.00 O ATOM 1240 CB TYR A 76 0.000 -6.890 1.540 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.319 -6.634 2.227 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.480 -7.185 1.743 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.403 -5.773 3.312 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.690 -6.893 2.311 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.612 -5.491 3.890 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.753 -6.050 3.380 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.978 -5.740 3.923 1.00 0.00 O ATOM 0 H TYR A 76 -1.379 -4.883 1.175 1.00 0.00 H new ATOM 0 HA TYR A 76 1.254 -5.442 0.598 1.00 0.00 H new ATOM 0 HB2 TYR A 76 0.006 -7.902 1.134 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.805 -6.836 2.272 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.437 -7.860 0.901 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.505 -5.320 3.705 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.594 -7.330 1.913 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.665 -4.831 4.743 1.00 0.00 H new ATOM 0 HH TYR A 76 -5.683 -6.204 3.425 1.00 0.00 H new ATOM 1257 N ILE A 77 1.231 -6.079 -1.759 1.00 0.00 N ATOM 1258 CA ILE A 77 1.428 -6.447 -3.105 1.00 0.00 C ATOM 1259 C ILE A 77 2.058 -7.732 -3.263 1.00 0.00 C ATOM 1260 O ILE A 77 2.972 -8.090 -2.538 1.00 0.00 O ATOM 1261 CB ILE A 77 2.364 -5.472 -3.802 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.470 -4.987 -2.844 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.610 -4.335 -4.395 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.417 -3.980 -3.434 1.00 0.00 C ATOM 0 H ILE A 77 1.904 -5.381 -1.443 1.00 0.00 H new ATOM 0 HA ILE A 77 0.424 -6.458 -3.530 1.00 0.00 H new ATOM 0 HB ILE A 77 2.851 -5.999 -4.622 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.002 -4.551 -1.962 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.044 -5.850 -2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.305 -3.654 -4.887 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.895 -4.714 -5.126 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.076 -3.802 -3.608 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.159 -3.698 -2.688 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.919 -4.415 -4.298 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.861 -3.096 -3.745 1.00 0.00 H new ATOM 1276 N LYS A 78 1.646 -8.406 -4.251 1.00 0.00 N ATOM 1277 CA LYS A 78 2.362 -9.504 -4.652 1.00 0.00 C ATOM 1278 C LYS A 78 3.519 -8.884 -5.447 1.00 0.00 C ATOM 1279 O LYS A 78 3.338 -8.113 -6.380 1.00 0.00 O ATOM 1280 CB LYS A 78 1.522 -10.476 -5.487 1.00 0.00 C ATOM 1281 CG LYS A 78 1.090 -9.912 -6.787 1.00 0.00 C ATOM 1282 CD LYS A 78 0.313 -10.901 -7.625 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.117 -10.271 -8.937 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.050 -9.138 -8.744 1.00 0.00 N ATOM 0 H LYS A 78 0.806 -8.204 -4.794 1.00 0.00 H new ATOM 0 HA LYS A 78 2.704 -10.120 -3.820 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.100 -11.383 -5.667 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.641 -10.768 -4.915 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.474 -9.031 -6.609 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.967 -9.581 -7.344 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.927 -11.780 -7.822 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -0.564 -11.242 -7.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 0.765 -9.923 -9.475 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.594 -11.028 -9.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.273 -8.711 -9.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.926 -9.481 -8.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.607 -8.425 -8.130 1.00 0.00 H new ATOM 1298 N THR A 79 4.625 -9.098 -4.919 1.00 0.00 N ATOM 1299 CA THR A 79 5.956 -8.658 -5.380 1.00 0.00 C ATOM 1300 C THR A 79 6.117 -8.651 -6.915 1.00 0.00 C ATOM 1301 O THR A 79 6.743 -7.769 -7.470 1.00 0.00 O ATOM 1302 CB THR A 79 7.010 -9.624 -4.783 1.00 0.00 C ATOM 1303 OG1 THR A 79 6.727 -10.964 -5.227 1.00 0.00 O ATOM 1304 CG2 THR A 79 6.936 -9.632 -3.280 1.00 0.00 C ATOM 0 H THR A 79 4.692 -9.639 -4.057 1.00 0.00 H new ATOM 0 HA THR A 79 6.088 -7.629 -5.047 1.00 0.00 H new ATOM 0 HB THR A 79 7.996 -9.291 -5.108 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.392 -11.580 -4.854 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.685 -10.317 -2.882 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.125 -8.628 -2.901 1.00 0.00 H new ATOM 0 HG23 THR A 79 5.944 -9.957 -2.966 1.00 0.00 H new ATOM 1312 N THR A 80 5.508 -9.606 -7.565 1.00 0.00 N ATOM 1313 CA THR A 80 5.563 -9.749 -8.991 1.00 0.00 C ATOM 1314 C THR A 80 4.769 -8.625 -9.741 1.00 0.00 C ATOM 1315 O THR A 80 4.978 -8.412 -10.946 1.00 0.00 O ATOM 1316 CB THR A 80 5.038 -11.161 -9.376 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.113 -11.390 -10.786 1.00 0.00 O ATOM 1318 CG2 THR A 80 3.609 -11.346 -8.894 1.00 0.00 C ATOM 0 H THR A 80 4.947 -10.322 -7.104 1.00 0.00 H new ATOM 0 HA THR A 80 6.601 -9.642 -9.306 1.00 0.00 H new ATOM 0 HB THR A 80 5.680 -11.892 -8.885 1.00 0.00 H new ATOM 0 HG1 THR A 80 4.776 -12.287 -10.990 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.257 -12.340 -9.172 1.00 0.00 H new ATOM 0 HG22 THR A 80 3.574 -11.239 -7.810 1.00 0.00 H new ATOM 0 HG23 THR A 80 2.969 -10.593 -9.354 1.00 0.00 H new ATOM 1326 N ALA A 81 3.909 -7.885 -9.034 1.00 0.00 N ATOM 1327 CA ALA A 81 3.093 -6.871 -9.679 1.00 0.00 C ATOM 1328 C ALA A 81 3.805 -5.528 -9.722 1.00 0.00 C ATOM 1329 O ALA A 81 3.397 -4.612 -10.448 1.00 0.00 O ATOM 1330 CB ALA A 81 1.756 -6.744 -8.976 1.00 0.00 C ATOM 0 H ALA A 81 3.766 -7.973 -8.028 1.00 0.00 H new ATOM 0 HA ALA A 81 2.920 -7.186 -10.708 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.156 -5.980 -9.471 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.232 -7.699 -9.015 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.917 -6.461 -7.936 1.00 0.00 H new ATOM 1336 N VAL A 82 4.866 -5.400 -8.959 1.00 0.00 N ATOM 1337 CA VAL A 82 5.622 -4.163 -8.942 1.00 0.00 C ATOM 1338 C VAL A 82 7.070 -4.422 -9.180 1.00 0.00 C ATOM 1339 O VAL A 82 7.533 -5.553 -9.113 1.00 0.00 O ATOM 1340 CB VAL A 82 5.514 -3.374 -7.611 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.109 -2.893 -7.360 1.00 0.00 C ATOM 1342 CG2 VAL A 82 6.021 -4.203 -6.441 1.00 0.00 C ATOM 0 H VAL A 82 5.226 -6.130 -8.345 1.00 0.00 H new ATOM 0 HA VAL A 82 5.181 -3.562 -9.738 1.00 0.00 H new ATOM 0 HB VAL A 82 6.149 -2.493 -7.704 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.075 -2.345 -6.418 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.798 -2.237 -8.173 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.436 -3.748 -7.307 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.934 -3.625 -5.521 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.427 -5.113 -6.356 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.066 -4.465 -6.607 1.00 0.00 H new ATOM 1352 N GLU A 83 7.760 -3.380 -9.470 1.00 0.00 N ATOM 1353 CA GLU A 83 9.182 -3.386 -9.579 1.00 0.00 C ATOM 1354 C GLU A 83 9.657 -2.180 -8.815 1.00 0.00 C ATOM 1355 O GLU A 83 9.267 -1.059 -9.145 1.00 0.00 O ATOM 1356 CB GLU A 83 9.600 -3.297 -11.042 1.00 0.00 C ATOM 1357 CG GLU A 83 9.159 -4.484 -11.889 1.00 0.00 C ATOM 1358 CD GLU A 83 9.667 -4.421 -13.302 1.00 0.00 C ATOM 1359 OE1 GLU A 83 10.857 -4.732 -13.525 1.00 0.00 O ATOM 1360 OE2 GLU A 83 8.889 -4.101 -14.225 1.00 0.00 O ATOM 0 H GLU A 83 7.341 -2.466 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 83 9.614 -4.304 -9.180 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.187 -2.384 -11.472 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.685 -3.211 -11.094 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.510 -5.405 -11.424 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.070 -4.529 -11.902 1.00 0.00 H new ATOM 1367 N ILE A 84 10.421 -2.377 -7.760 1.00 0.00 N ATOM 1368 CA ILE A 84 10.836 -1.246 -6.960 1.00 0.00 C ATOM 1369 C ILE A 84 11.969 -0.514 -7.649 1.00 0.00 C ATOM 1370 O ILE A 84 12.889 -1.142 -8.181 1.00 0.00 O ATOM 1371 CB ILE A 84 11.177 -1.621 -5.464 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.446 -2.453 -5.333 1.00 0.00 C ATOM 1373 CG2 ILE A 84 10.014 -2.338 -4.803 1.00 0.00 C ATOM 1374 CD1 ILE A 84 13.690 -1.629 -5.086 1.00 0.00 C ATOM 0 H ILE A 84 10.759 -3.286 -7.443 1.00 0.00 H new ATOM 0 HA ILE A 84 9.984 -0.571 -6.883 1.00 0.00 H new ATOM 0 HB ILE A 84 11.357 -0.677 -4.950 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.322 -3.162 -4.515 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.583 -3.037 -6.243 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.276 -2.584 -3.774 1.00 0.00 H new ATOM 0 HG22 ILE A 84 9.137 -1.691 -4.809 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.793 -3.254 -5.350 1.00 0.00 H new ATOM 0 HD11 ILE A 84 14.553 -2.289 -5.004 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.839 -0.938 -5.916 1.00 0.00 H new ATOM 0 HD13 ILE A 84 13.575 -1.065 -4.160 1.00 0.00 H new ATOM 1386 N ASP A 85 11.879 0.783 -7.701 1.00 0.00 N ATOM 1387 CA ASP A 85 12.903 1.578 -8.325 1.00 0.00 C ATOM 1388 C ASP A 85 14.126 1.615 -7.471 1.00 0.00 C ATOM 1389 O ASP A 85 14.078 1.997 -6.284 1.00 0.00 O ATOM 1390 CB ASP A 85 12.419 2.978 -8.741 1.00 0.00 C ATOM 1391 CG ASP A 85 11.652 2.946 -10.050 1.00 0.00 C ATOM 1392 OD1 ASP A 85 12.306 2.903 -11.126 1.00 0.00 O ATOM 1393 OD2 ASP A 85 10.404 2.938 -10.052 1.00 0.00 O ATOM 0 H ASP A 85 11.101 1.319 -7.316 1.00 0.00 H new ATOM 0 HA ASP A 85 13.167 1.090 -9.264 1.00 0.00 H new ATOM 0 HB2 ASP A 85 11.783 3.390 -7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 85 13.276 3.644 -8.839 1.00 0.00 H new