USER MOD reduce.3.24.130724 H: found=0, std=0, add=474, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 476 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 14 HIS : no HD1:sc= -2.02 K(o=-2,f=-0.49) USER MOD Single : A 18 ASN : amide:sc= 0.0225 K(o=0.023,f=-3.4!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 HIS : no HD1:sc= -0.77 K(o=-0.77,f=-0.22) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -155:sc= -0.121 (180deg=-1.1!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0569 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0.267 (180deg=0.267) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -155:sc= -0.0197 (180deg=-0.79) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -114:sc= -5.01! USER MOD Single : A 76 GLN : amide:sc= -0.0548 K(o=-0.055,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 225 N GLU A 13 -6.580 1.426 -6.188 1.00 0.00 N ATOM 226 CA GLU A 13 -5.995 1.184 -7.489 1.00 0.00 C ATOM 227 C GLU A 13 -4.528 0.811 -7.323 1.00 0.00 C ATOM 228 O GLU A 13 -3.672 1.678 -7.153 1.00 0.00 O ATOM 229 CB GLU A 13 -6.134 2.415 -8.386 1.00 0.00 C ATOM 230 CG GLU A 13 -7.162 2.249 -9.493 1.00 0.00 C ATOM 231 CD GLU A 13 -8.331 3.204 -9.353 1.00 0.00 C ATOM 232 OE1 GLU A 13 -8.136 4.300 -8.786 1.00 0.00 O ATOM 233 OE2 GLU A 13 -9.440 2.857 -9.808 1.00 0.00 O ATOM 0 HA GLU A 13 -6.525 0.360 -7.967 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -6.409 3.272 -7.772 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -5.165 2.640 -8.832 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -6.680 2.409 -10.458 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -7.533 1.224 -9.488 1.00 0.00 H new ATOM 240 N HIS A 14 -4.253 -0.487 -7.336 1.00 0.00 N ATOM 241 CA HIS A 14 -2.901 -0.977 -7.105 1.00 0.00 C ATOM 242 C HIS A 14 -2.041 -0.910 -8.364 1.00 0.00 C ATOM 243 O HIS A 14 -2.478 -1.259 -9.459 1.00 0.00 O ATOM 244 CB HIS A 14 -2.936 -2.416 -6.577 1.00 0.00 C ATOM 245 CG HIS A 14 -3.918 -3.306 -7.279 1.00 0.00 C ATOM 246 ND1 HIS A 14 -4.448 -4.440 -6.700 1.00 0.00 N ATOM 247 CD2 HIS A 14 -4.461 -3.232 -8.519 1.00 0.00 C ATOM 248 CE1 HIS A 14 -5.277 -5.021 -7.550 1.00 0.00 C ATOM 249 NE2 HIS A 14 -5.302 -4.308 -8.659 1.00 0.00 N ATOM 0 H HIS A 14 -4.946 -1.217 -7.503 1.00 0.00 H new ATOM 0 HA HIS A 14 -2.448 -0.325 -6.358 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -1.940 -2.849 -6.669 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -3.177 -2.395 -5.514 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -4.268 -2.469 -9.259 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -5.838 -5.925 -7.367 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -5.857 -4.522 -9.488 1.00 0.00 H new ATOM 258 N VAL A 15 -0.804 -0.465 -8.180 1.00 0.00 N ATOM 259 CA VAL A 15 0.168 -0.374 -9.263 1.00 0.00 C ATOM 260 C VAL A 15 1.499 -0.942 -8.788 1.00 0.00 C ATOM 261 O VAL A 15 1.791 -0.908 -7.601 1.00 0.00 O ATOM 262 CB VAL A 15 0.383 1.079 -9.733 1.00 0.00 C ATOM 263 CG1 VAL A 15 1.101 1.103 -11.073 1.00 0.00 C ATOM 264 CG2 VAL A 15 -0.938 1.836 -9.816 1.00 0.00 C ATOM 0 H VAL A 15 -0.446 -0.157 -7.276 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.222 -0.944 -10.106 1.00 0.00 H new ATOM 0 HB VAL A 15 1.007 1.582 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.245 2.136 -11.390 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.071 0.615 -10.975 1.00 0.00 H new ATOM 0 HG13 VAL A 15 0.503 0.575 -11.816 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.752 2.857 -10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.599 1.337 -10.524 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.408 1.856 -8.833 1.00 0.00 H new ATOM 274 N ILE A 16 2.278 -1.521 -9.688 1.00 0.00 N ATOM 275 CA ILE A 16 3.553 -2.106 -9.287 1.00 0.00 C ATOM 276 C ILE A 16 4.733 -1.215 -9.664 1.00 0.00 C ATOM 277 O ILE A 16 5.078 -1.083 -10.838 1.00 0.00 O ATOM 278 CB ILE A 16 3.762 -3.512 -9.888 1.00 0.00 C ATOM 279 CG1 ILE A 16 2.656 -4.458 -9.418 1.00 0.00 C ATOM 280 CG2 ILE A 16 5.132 -4.059 -9.497 1.00 0.00 C ATOM 281 CD1 ILE A 16 2.908 -5.905 -9.778 1.00 0.00 C ATOM 0 H ILE A 16 2.059 -1.599 -10.681 1.00 0.00 H new ATOM 0 HA ILE A 16 3.511 -2.194 -8.201 1.00 0.00 H new ATOM 0 HB ILE A 16 3.717 -3.437 -10.974 1.00 0.00 H new ATOM 0 HG12 ILE A 16 2.552 -4.374 -8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 16 1.709 -4.143 -9.855 1.00 0.00 H new ATOM 0 HG21 ILE A 16 5.264 -5.051 -9.928 1.00 0.00 H new ATOM 0 HG22 ILE A 16 5.910 -3.394 -9.872 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.202 -4.123 -8.411 1.00 0.00 H new ATOM 0 HD11 ILE A 16 2.084 -6.519 -9.414 1.00 0.00 H new ATOM 0 HD12 ILE A 16 2.983 -6.003 -10.861 1.00 0.00 H new ATOM 0 HD13 ILE A 16 3.839 -6.237 -9.319 1.00 0.00 H new ATOM 293 N LEU A 17 5.392 -0.673 -8.646 1.00 0.00 N ATOM 294 CA LEU A 17 6.563 0.157 -8.837 1.00 0.00 C ATOM 295 C LEU A 17 7.790 -0.665 -9.165 1.00 0.00 C ATOM 296 O LEU A 17 7.962 -1.772 -8.653 1.00 0.00 O ATOM 297 CB LEU A 17 6.896 0.888 -7.548 1.00 0.00 C ATOM 298 CG LEU A 17 6.074 2.115 -7.207 1.00 0.00 C ATOM 299 CD1 LEU A 17 6.573 3.327 -7.973 1.00 0.00 C ATOM 300 CD2 LEU A 17 4.613 1.888 -7.454 1.00 0.00 C ATOM 0 H LEU A 17 5.126 -0.800 -7.669 1.00 0.00 H new ATOM 0 HA LEU A 17 6.326 0.837 -9.655 1.00 0.00 H new ATOM 0 HB2 LEU A 17 6.800 0.180 -6.725 1.00 0.00 H new ATOM 0 HB3 LEU A 17 7.943 1.186 -7.591 1.00 0.00 H new ATOM 0 HG LEU A 17 6.197 2.309 -6.141 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.969 4.196 -7.713 1.00 0.00 H new ATOM 0 HD12 LEU A 17 7.614 3.518 -7.713 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.495 3.138 -9.044 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.056 2.790 -7.198 1.00 0.00 H new ATOM 0 HD22 LEU A 17 4.454 1.650 -8.506 1.00 0.00 H new ATOM 0 HD23 LEU A 17 4.264 1.059 -6.838 1.00 0.00 H new ATOM 312 N ASN A 18 8.708 -0.061 -9.898 1.00 0.00 N ATOM 313 CA ASN A 18 10.021 -0.641 -10.060 1.00 0.00 C ATOM 314 C ASN A 18 10.846 -0.184 -8.863 1.00 0.00 C ATOM 315 O ASN A 18 10.700 0.954 -8.420 1.00 0.00 O ATOM 316 CB ASN A 18 10.672 -0.192 -11.370 1.00 0.00 C ATOM 317 CG ASN A 18 9.671 -0.072 -12.503 1.00 0.00 C ATOM 318 OD1 ASN A 18 8.781 0.778 -12.474 1.00 0.00 O ATOM 319 ND2 ASN A 18 9.814 -0.925 -13.510 1.00 0.00 N ATOM 0 H ASN A 18 8.567 0.824 -10.385 1.00 0.00 H new ATOM 0 HA ASN A 18 9.958 -1.728 -10.105 1.00 0.00 H new ATOM 0 HB2 ASN A 18 11.161 0.770 -11.218 1.00 0.00 H new ATOM 0 HB3 ASN A 18 11.449 -0.904 -11.649 1.00 0.00 H new ATOM 0 HD21 ASN A 18 9.171 -0.892 -14.301 1.00 0.00 H new ATOM 0 HD22 ASN A 18 10.566 -1.613 -13.492 1.00 0.00 H new ATOM 326 N GLU A 19 11.655 -1.067 -8.293 1.00 0.00 N ATOM 327 CA GLU A 19 12.398 -0.731 -7.076 1.00 0.00 C ATOM 328 C GLU A 19 13.026 0.658 -7.165 1.00 0.00 C ATOM 329 O GLU A 19 13.033 1.403 -6.187 1.00 0.00 O ATOM 330 CB GLU A 19 13.472 -1.783 -6.800 1.00 0.00 C ATOM 331 CG GLU A 19 13.810 -1.932 -5.325 1.00 0.00 C ATOM 332 CD GLU A 19 15.262 -1.613 -5.022 1.00 0.00 C ATOM 333 OE1 GLU A 19 15.907 -0.940 -5.853 1.00 0.00 O ATOM 334 OE2 GLU A 19 15.752 -2.036 -3.954 1.00 0.00 O ATOM 0 H GLU A 19 11.816 -2.011 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 19 11.689 -0.722 -6.248 1.00 0.00 H new ATOM 0 HB2 GLU A 19 13.135 -2.745 -7.186 1.00 0.00 H new ATOM 0 HB3 GLU A 19 14.377 -1.519 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 19 13.168 -1.273 -4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 19 13.592 -2.952 -5.008 1.00 0.00 H new ATOM 341 N SER A 20 13.479 1.032 -8.355 1.00 0.00 N ATOM 342 CA SER A 20 14.033 2.364 -8.561 1.00 0.00 C ATOM 343 C SER A 20 12.909 3.396 -8.570 1.00 0.00 C ATOM 344 O SER A 20 13.000 4.445 -7.928 1.00 0.00 O ATOM 345 CB SER A 20 14.814 2.424 -9.876 1.00 0.00 C ATOM 346 OG SER A 20 14.997 3.764 -10.300 1.00 0.00 O ATOM 0 H SER A 20 13.474 0.439 -9.185 1.00 0.00 H new ATOM 0 HA SER A 20 14.718 2.588 -7.743 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.784 1.944 -9.749 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.281 1.866 -10.645 1.00 0.00 H new ATOM 0 HG SER A 20 15.500 3.775 -11.141 1.00 0.00 H new ATOM 352 N GLU A 21 11.831 3.064 -9.275 1.00 0.00 N ATOM 353 CA GLU A 21 10.671 3.940 -9.363 1.00 0.00 C ATOM 354 C GLU A 21 10.026 4.129 -8.001 1.00 0.00 C ATOM 355 O GLU A 21 9.721 5.246 -7.599 1.00 0.00 O ATOM 356 CB GLU A 21 9.640 3.363 -10.332 1.00 0.00 C ATOM 357 CG GLU A 21 9.080 4.392 -11.298 1.00 0.00 C ATOM 358 CD GLU A 21 7.732 3.993 -11.866 1.00 0.00 C ATOM 359 OE1 GLU A 21 6.943 3.358 -11.134 1.00 0.00 O ATOM 360 OE2 GLU A 21 7.463 4.319 -13.041 1.00 0.00 O ATOM 0 H GLU A 21 11.739 2.191 -9.795 1.00 0.00 H new ATOM 0 HA GLU A 21 11.014 4.908 -9.729 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.099 2.554 -10.900 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.820 2.927 -9.761 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.984 5.350 -10.786 1.00 0.00 H new ATOM 0 HG3 GLU A 21 9.785 4.537 -12.116 1.00 0.00 H new ATOM 367 N ALA A 22 9.784 3.029 -7.305 1.00 0.00 N ATOM 368 CA ALA A 22 9.156 3.090 -5.996 1.00 0.00 C ATOM 369 C ALA A 22 10.054 3.814 -5.008 1.00 0.00 C ATOM 370 O ALA A 22 9.582 4.478 -4.085 1.00 0.00 O ATOM 371 CB ALA A 22 8.856 1.691 -5.495 1.00 0.00 C ATOM 0 H ALA A 22 10.012 2.087 -7.624 1.00 0.00 H new ATOM 0 HA ALA A 22 8.221 3.643 -6.087 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.386 1.749 -4.513 1.00 0.00 H new ATOM 0 HB2 ALA A 22 8.182 1.192 -6.191 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.784 1.125 -5.420 1.00 0.00 H new ATOM 377 N LYS A 23 11.359 3.665 -5.205 1.00 0.00 N ATOM 378 CA LYS A 23 12.340 4.273 -4.322 1.00 0.00 C ATOM 379 C LYS A 23 12.175 5.786 -4.264 1.00 0.00 C ATOM 380 O LYS A 23 12.052 6.356 -3.180 1.00 0.00 O ATOM 381 CB LYS A 23 13.754 3.905 -4.767 1.00 0.00 C ATOM 382 CG LYS A 23 14.353 2.770 -3.956 1.00 0.00 C ATOM 383 CD LYS A 23 15.262 1.892 -4.802 1.00 0.00 C ATOM 384 CE LYS A 23 16.597 1.650 -4.119 1.00 0.00 C ATOM 385 NZ LYS A 23 17.740 1.811 -5.059 1.00 0.00 N ATOM 0 H LYS A 23 11.761 3.126 -5.972 1.00 0.00 H new ATOM 0 HA LYS A 23 12.174 3.883 -3.318 1.00 0.00 H new ATOM 0 HB2 LYS A 23 13.736 3.622 -5.820 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.395 4.782 -4.683 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.919 3.180 -3.119 1.00 0.00 H new ATOM 0 HG3 LYS A 23 13.552 2.163 -3.533 1.00 0.00 H new ATOM 0 HD2 LYS A 23 14.772 0.937 -4.993 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.428 2.365 -5.770 1.00 0.00 H new ATOM 0 HE2 LYS A 23 16.710 2.345 -3.287 1.00 0.00 H new ATOM 0 HE3 LYS A 23 16.612 0.645 -3.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 18.632 1.637 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.646 1.130 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 17.741 2.778 -5.442 1.00 0.00 H new ATOM 399 N ARG A 24 12.164 6.445 -5.422 1.00 0.00 N ATOM 400 CA ARG A 24 11.991 7.892 -5.439 1.00 0.00 C ATOM 401 C ARG A 24 10.629 8.271 -4.894 1.00 0.00 C ATOM 402 O ARG A 24 10.502 9.232 -4.156 1.00 0.00 O ATOM 403 CB ARG A 24 12.138 8.476 -6.842 1.00 0.00 C ATOM 404 CG ARG A 24 11.036 8.083 -7.779 1.00 0.00 C ATOM 405 CD ARG A 24 11.411 8.347 -9.226 1.00 0.00 C ATOM 406 NE ARG A 24 10.433 7.794 -10.160 1.00 0.00 N ATOM 407 CZ ARG A 24 10.473 8.002 -11.474 1.00 0.00 C ATOM 408 NH1 ARG A 24 11.440 8.741 -11.999 1.00 0.00 N ATOM 409 NH2 ARG A 24 9.549 7.471 -12.263 1.00 0.00 N ATOM 0 H ARG A 24 12.270 6.011 -6.339 1.00 0.00 H new ATOM 0 HA ARG A 24 12.778 8.306 -4.809 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.172 9.563 -6.771 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.091 8.154 -7.261 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.807 7.025 -7.649 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.131 8.638 -7.530 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.497 9.422 -9.387 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.391 7.915 -9.430 1.00 0.00 H new ATOM 0 HE ARG A 24 9.679 7.218 -9.785 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.154 9.150 -11.396 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.471 8.900 -13.006 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.804 6.901 -11.863 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.583 7.633 -13.269 1.00 0.00 H new ATOM 423 N VAL A 25 9.608 7.528 -5.294 1.00 0.00 N ATOM 424 CA VAL A 25 8.249 7.819 -4.860 1.00 0.00 C ATOM 425 C VAL A 25 8.147 7.786 -3.340 1.00 0.00 C ATOM 426 O VAL A 25 7.714 8.754 -2.715 1.00 0.00 O ATOM 427 CB VAL A 25 7.232 6.828 -5.458 1.00 0.00 C ATOM 428 CG1 VAL A 25 5.816 7.344 -5.266 1.00 0.00 C ATOM 429 CG2 VAL A 25 7.514 6.585 -6.933 1.00 0.00 C ATOM 0 H VAL A 25 9.693 6.723 -5.915 1.00 0.00 H new ATOM 0 HA VAL A 25 8.010 8.820 -5.220 1.00 0.00 H new ATOM 0 HB VAL A 25 7.332 5.878 -4.933 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.109 6.633 -5.694 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.613 7.462 -4.202 1.00 0.00 H new ATOM 0 HG13 VAL A 25 5.709 8.307 -5.765 1.00 0.00 H new ATOM 0 HG21 VAL A 25 6.783 5.882 -7.332 1.00 0.00 H new ATOM 0 HG22 VAL A 25 7.446 7.527 -7.477 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.516 6.171 -7.049 1.00 0.00 H new ATOM 439 N LEU A 26 8.577 6.676 -2.748 1.00 0.00 N ATOM 440 CA LEU A 26 8.553 6.521 -1.301 1.00 0.00 C ATOM 441 C LEU A 26 9.188 7.724 -0.615 1.00 0.00 C ATOM 442 O LEU A 26 8.605 8.313 0.294 1.00 0.00 O ATOM 443 CB LEU A 26 9.286 5.243 -0.903 1.00 0.00 C ATOM 444 CG LEU A 26 8.470 4.279 -0.047 1.00 0.00 C ATOM 445 CD1 LEU A 26 8.961 2.855 -0.231 1.00 0.00 C ATOM 446 CD2 LEU A 26 8.541 4.684 1.412 1.00 0.00 C ATOM 0 H LEU A 26 8.947 5.870 -3.251 1.00 0.00 H new ATOM 0 HA LEU A 26 7.514 6.454 -0.979 1.00 0.00 H new ATOM 0 HB2 LEU A 26 9.602 4.725 -1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.191 5.514 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 26 7.430 4.324 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.367 2.182 0.388 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.861 2.568 -1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 26 10.008 2.790 0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.955 3.988 2.012 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.579 4.665 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.141 5.691 1.530 1.00 0.00 H new ATOM 458 N LYS A 27 10.386 8.087 -1.061 1.00 0.00 N ATOM 459 CA LYS A 27 11.089 9.235 -0.503 1.00 0.00 C ATOM 460 C LYS A 27 10.396 10.526 -0.919 1.00 0.00 C ATOM 461 O LYS A 27 10.251 11.457 -0.127 1.00 0.00 O ATOM 462 CB LYS A 27 12.547 9.247 -0.963 1.00 0.00 C ATOM 463 CG LYS A 27 13.255 7.915 -0.780 1.00 0.00 C ATOM 464 CD LYS A 27 13.933 7.825 0.578 1.00 0.00 C ATOM 465 CE LYS A 27 15.083 6.832 0.561 1.00 0.00 C ATOM 466 NZ LYS A 27 16.407 7.513 0.592 1.00 0.00 N ATOM 0 H LYS A 27 10.889 7.604 -1.805 1.00 0.00 H new ATOM 0 HA LYS A 27 11.071 9.158 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 27 12.585 9.527 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 27 13.087 10.015 -0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 27 12.536 7.103 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.997 7.785 -1.568 1.00 0.00 H new ATOM 0 HD2 LYS A 27 14.304 8.808 0.866 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.204 7.526 1.331 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.998 6.164 1.418 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.014 6.213 -0.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.164 6.800 0.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 16.499 8.131 -0.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 16.484 8.084 1.458 1.00 0.00 H new ATOM 480 N GLU A 28 9.955 10.555 -2.169 1.00 0.00 N ATOM 481 CA GLU A 28 9.237 11.696 -2.713 1.00 0.00 C ATOM 482 C GLU A 28 8.017 11.994 -1.854 1.00 0.00 C ATOM 483 O GLU A 28 7.701 13.150 -1.569 1.00 0.00 O ATOM 484 CB GLU A 28 8.806 11.391 -4.151 1.00 0.00 C ATOM 485 CG GLU A 28 9.905 11.601 -5.185 1.00 0.00 C ATOM 486 CD GLU A 28 9.570 12.694 -6.180 1.00 0.00 C ATOM 487 OE1 GLU A 28 8.892 12.394 -7.185 1.00 0.00 O ATOM 488 OE2 GLU A 28 9.982 13.851 -5.953 1.00 0.00 O ATOM 0 H GLU A 28 10.085 9.790 -2.831 1.00 0.00 H new ATOM 0 HA GLU A 28 9.890 12.569 -2.713 1.00 0.00 H new ATOM 0 HB2 GLU A 28 8.463 10.358 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.955 12.023 -4.406 1.00 0.00 H new ATOM 0 HG2 GLU A 28 10.835 11.852 -4.675 1.00 0.00 H new ATOM 0 HG3 GLU A 28 10.077 10.668 -5.721 1.00 0.00 H new ATOM 495 N LEU A 29 7.353 10.928 -1.426 1.00 0.00 N ATOM 496 CA LEU A 29 6.182 11.033 -0.567 1.00 0.00 C ATOM 497 C LEU A 29 6.561 11.463 0.851 1.00 0.00 C ATOM 498 O LEU A 29 5.689 11.734 1.676 1.00 0.00 O ATOM 499 CB LEU A 29 5.466 9.690 -0.515 1.00 0.00 C ATOM 500 CG LEU A 29 4.442 9.469 -1.624 1.00 0.00 C ATOM 501 CD1 LEU A 29 5.133 9.401 -2.974 1.00 0.00 C ATOM 502 CD2 LEU A 29 3.649 8.205 -1.363 1.00 0.00 C ATOM 0 H LEU A 29 7.610 9.970 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 29 5.524 11.794 -0.987 1.00 0.00 H new ATOM 0 HB2 LEU A 29 6.210 8.895 -0.563 1.00 0.00 H new ATOM 0 HB3 LEU A 29 4.964 9.599 0.448 1.00 0.00 H new ATOM 0 HG LEU A 29 3.750 10.311 -1.635 1.00 0.00 H new ATOM 0 HD11 LEU A 29 4.390 9.243 -3.756 1.00 0.00 H new ATOM 0 HD12 LEU A 29 5.662 10.336 -3.160 1.00 0.00 H new ATOM 0 HD13 LEU A 29 5.844 8.575 -2.977 1.00 0.00 H new ATOM 0 HD21 LEU A 29 2.922 8.060 -2.162 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.326 7.351 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.127 8.293 -0.410 1.00 0.00 H new ATOM 514 N ASP A 30 7.868 11.508 1.133 1.00 0.00 N ATOM 515 CA ASP A 30 8.372 11.872 2.459 1.00 0.00 C ATOM 516 C ASP A 30 8.355 10.663 3.388 1.00 0.00 C ATOM 517 O ASP A 30 7.881 10.741 4.522 1.00 0.00 O ATOM 518 CB ASP A 30 7.558 13.019 3.070 1.00 0.00 C ATOM 519 CG ASP A 30 8.294 13.715 4.198 1.00 0.00 C ATOM 520 OD1 ASP A 30 8.321 13.164 5.318 1.00 0.00 O ATOM 521 OD2 ASP A 30 8.840 14.813 3.962 1.00 0.00 O ATOM 0 H ASP A 30 8.599 11.295 0.454 1.00 0.00 H new ATOM 0 HA ASP A 30 9.401 12.213 2.340 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.320 13.745 2.293 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.611 12.630 3.444 1.00 0.00 H new ATOM 526 N ALA A 31 8.879 9.544 2.894 1.00 0.00 N ATOM 527 CA ALA A 31 8.935 8.312 3.672 1.00 0.00 C ATOM 528 C ALA A 31 9.885 7.304 3.036 1.00 0.00 C ATOM 529 O ALA A 31 10.228 7.414 1.858 1.00 0.00 O ATOM 530 CB ALA A 31 7.548 7.702 3.808 1.00 0.00 C ATOM 0 H ALA A 31 9.272 9.466 1.956 1.00 0.00 H new ATOM 0 HA ALA A 31 9.311 8.562 4.664 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.610 6.783 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.888 8.408 4.312 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.151 7.477 2.818 1.00 0.00 H new ATOM 536 N HIS A 32 10.294 6.316 3.820 1.00 0.00 N ATOM 537 CA HIS A 32 11.184 5.272 3.330 1.00 0.00 C ATOM 538 C HIS A 32 10.526 3.907 3.473 1.00 0.00 C ATOM 539 O HIS A 32 9.668 3.710 4.333 1.00 0.00 O ATOM 540 CB HIS A 32 12.516 5.285 4.084 1.00 0.00 C ATOM 541 CG HIS A 32 12.922 6.636 4.585 1.00 0.00 C ATOM 542 ND1 HIS A 32 14.033 7.309 4.122 1.00 0.00 N ATOM 543 CD2 HIS A 32 12.361 7.441 5.520 1.00 0.00 C ATOM 544 CE1 HIS A 32 14.138 8.468 4.748 1.00 0.00 C ATOM 545 NE2 HIS A 32 13.135 8.571 5.600 1.00 0.00 N ATOM 0 H HIS A 32 10.024 6.215 4.798 1.00 0.00 H new ATOM 0 HA HIS A 32 11.382 5.468 2.276 1.00 0.00 H new ATOM 0 HB2 HIS A 32 12.449 4.601 4.930 1.00 0.00 H new ATOM 0 HB3 HIS A 32 13.297 4.903 3.426 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.471 7.232 6.095 1.00 0.00 H new ATOM 0 HE1 HIS A 32 14.912 9.205 4.590 1.00 0.00 H new ATOM 0 HE2 HIS A 32 12.963 9.364 6.219 1.00 0.00 H new ATOM 554 N PRO A 33 10.885 2.956 2.599 1.00 0.00 N ATOM 555 CA PRO A 33 10.317 1.613 2.630 1.00 0.00 C ATOM 556 C PRO A 33 10.471 0.965 4.001 1.00 0.00 C ATOM 557 O PRO A 33 9.716 0.061 4.362 1.00 0.00 O ATOM 558 CB PRO A 33 11.117 0.848 1.567 1.00 0.00 C ATOM 559 CG PRO A 33 12.325 1.680 1.313 1.00 0.00 C ATOM 560 CD PRO A 33 11.895 3.096 1.544 1.00 0.00 C ATOM 0 HA PRO A 33 9.245 1.616 2.433 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.391 -0.146 1.920 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.533 0.713 0.656 1.00 0.00 H new ATOM 0 HG2 PRO A 33 13.139 1.403 1.983 1.00 0.00 H new ATOM 0 HG3 PRO A 33 12.689 1.542 0.295 1.00 0.00 H new ATOM 0 HD2 PRO A 33 12.727 3.726 1.860 1.00 0.00 H new ATOM 0 HD3 PRO A 33 11.480 3.546 0.642 1.00 0.00 H new ATOM 568 N GLU A 34 11.439 1.452 4.770 1.00 0.00 N ATOM 569 CA GLU A 34 11.673 0.948 6.116 1.00 0.00 C ATOM 570 C GLU A 34 10.549 1.391 7.046 1.00 0.00 C ATOM 571 O GLU A 34 10.233 0.715 8.025 1.00 0.00 O ATOM 572 CB GLU A 34 13.020 1.448 6.652 1.00 0.00 C ATOM 573 CG GLU A 34 14.077 1.635 5.575 1.00 0.00 C ATOM 574 CD GLU A 34 15.459 1.210 6.034 1.00 0.00 C ATOM 575 OE1 GLU A 34 15.638 0.988 7.250 1.00 0.00 O ATOM 576 OE2 GLU A 34 16.361 1.100 5.177 1.00 0.00 O ATOM 0 H GLU A 34 12.074 2.196 4.483 1.00 0.00 H new ATOM 0 HA GLU A 34 11.695 -0.141 6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.866 2.397 7.166 1.00 0.00 H new ATOM 0 HB3 GLU A 34 13.391 0.740 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.798 1.058 4.693 1.00 0.00 H new ATOM 0 HG3 GLU A 34 14.104 2.683 5.275 1.00 0.00 H new ATOM 583 N GLN A 35 9.943 2.530 6.723 1.00 0.00 N ATOM 584 CA GLN A 35 8.840 3.064 7.512 1.00 0.00 C ATOM 585 C GLN A 35 7.509 2.541 6.993 1.00 0.00 C ATOM 586 O GLN A 35 6.586 2.280 7.764 1.00 0.00 O ATOM 587 CB GLN A 35 8.853 4.593 7.475 1.00 0.00 C ATOM 588 CG GLN A 35 10.048 5.208 8.181 1.00 0.00 C ATOM 589 CD GLN A 35 9.774 5.507 9.642 1.00 0.00 C ATOM 590 OE1 GLN A 35 9.810 4.611 10.487 1.00 0.00 O ATOM 591 NE2 GLN A 35 9.500 6.770 9.948 1.00 0.00 N ATOM 0 H GLN A 35 10.199 3.101 5.918 1.00 0.00 H new ATOM 0 HA GLN A 35 8.965 2.735 8.544 1.00 0.00 H new ATOM 0 HB2 GLN A 35 8.846 4.923 6.436 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.938 4.967 7.934 1.00 0.00 H new ATOM 0 HG2 GLN A 35 10.898 4.529 8.106 1.00 0.00 H new ATOM 0 HG3 GLN A 35 10.331 6.130 7.672 1.00 0.00 H new ATOM 0 HE21 GLN A 35 9.481 7.480 9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 35 9.309 7.030 10.915 1.00 0.00 H new ATOM 600 N LEU A 36 7.424 2.384 5.681 1.00 0.00 N ATOM 601 CA LEU A 36 6.215 1.872 5.047 1.00 0.00 C ATOM 602 C LEU A 36 6.013 0.402 5.393 1.00 0.00 C ATOM 603 O LEU A 36 6.979 -0.338 5.576 1.00 0.00 O ATOM 604 CB LEU A 36 6.298 2.026 3.528 1.00 0.00 C ATOM 605 CG LEU A 36 6.156 3.453 3.001 1.00 0.00 C ATOM 606 CD1 LEU A 36 5.922 3.438 1.499 1.00 0.00 C ATOM 607 CD2 LEU A 36 5.026 4.183 3.701 1.00 0.00 C ATOM 0 H LEU A 36 8.179 2.604 5.031 1.00 0.00 H new ATOM 0 HA LEU A 36 5.369 2.450 5.420 1.00 0.00 H new ATOM 0 HB2 LEU A 36 7.255 1.627 3.192 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.520 1.411 3.075 1.00 0.00 H new ATOM 0 HG LEU A 36 7.084 3.985 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.822 4.461 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 36 6.766 2.958 1.004 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.009 2.884 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 36 4.948 5.196 3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.089 3.653 3.529 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.228 4.225 4.771 1.00 0.00 H new ATOM 619 N PRO A 37 4.752 -0.049 5.469 1.00 0.00 N ATOM 620 CA PRO A 37 4.440 -1.447 5.765 1.00 0.00 C ATOM 621 C PRO A 37 5.031 -2.386 4.722 1.00 0.00 C ATOM 622 O PRO A 37 5.081 -2.059 3.536 1.00 0.00 O ATOM 623 CB PRO A 37 2.916 -1.507 5.727 1.00 0.00 C ATOM 624 CG PRO A 37 2.456 -0.093 5.853 1.00 0.00 C ATOM 625 CD PRO A 37 3.539 0.755 5.250 1.00 0.00 C ATOM 0 HA PRO A 37 4.857 -1.761 6.722 1.00 0.00 H new ATOM 0 HB2 PRO A 37 2.564 -1.952 4.796 1.00 0.00 H new ATOM 0 HB3 PRO A 37 2.527 -2.120 6.540 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.510 0.056 5.333 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.291 0.171 6.898 1.00 0.00 H new ATOM 0 HD2 PRO A 37 3.364 0.940 4.190 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.607 1.728 5.736 1.00 0.00 H new ATOM 633 N LYS A 38 5.484 -3.551 5.168 1.00 0.00 N ATOM 634 CA LYS A 38 6.076 -4.528 4.265 1.00 0.00 C ATOM 635 C LYS A 38 5.300 -5.836 4.288 1.00 0.00 C ATOM 636 O LYS A 38 5.096 -6.432 5.345 1.00 0.00 O ATOM 637 CB LYS A 38 7.539 -4.781 4.634 1.00 0.00 C ATOM 638 CG LYS A 38 8.356 -3.509 4.785 1.00 0.00 C ATOM 639 CD LYS A 38 8.948 -3.064 3.457 1.00 0.00 C ATOM 640 CE LYS A 38 10.462 -3.193 3.451 1.00 0.00 C ATOM 641 NZ LYS A 38 11.077 -2.591 4.667 1.00 0.00 N ATOM 0 H LYS A 38 5.453 -3.841 6.145 1.00 0.00 H new ATOM 0 HA LYS A 38 6.030 -4.120 3.255 1.00 0.00 H new ATOM 0 HB2 LYS A 38 7.578 -5.341 5.568 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.995 -5.407 3.868 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.725 -2.716 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.158 -3.674 5.505 1.00 0.00 H new ATOM 0 HD2 LYS A 38 8.527 -3.665 2.650 1.00 0.00 H new ATOM 0 HD3 LYS A 38 8.669 -2.028 3.262 1.00 0.00 H new ATOM 0 HE2 LYS A 38 10.736 -4.246 3.389 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.864 -2.706 2.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 12.057 -2.313 4.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 10.532 -1.752 4.953 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 11.072 -3.287 5.440 1.00 0.00 H new ATOM 655 N ILE A 39 4.864 -6.273 3.113 1.00 0.00 N ATOM 656 CA ILE A 39 4.129 -7.520 2.993 1.00 0.00 C ATOM 657 C ILE A 39 4.961 -8.554 2.252 1.00 0.00 C ATOM 658 O ILE A 39 5.520 -8.276 1.192 1.00 0.00 O ATOM 659 CB ILE A 39 2.775 -7.330 2.298 1.00 0.00 C ATOM 660 CG1 ILE A 39 2.155 -5.987 2.691 1.00 0.00 C ATOM 661 CG2 ILE A 39 1.842 -8.471 2.666 1.00 0.00 C ATOM 662 CD1 ILE A 39 2.146 -5.735 4.184 1.00 0.00 C ATOM 0 H ILE A 39 5.008 -5.780 2.231 1.00 0.00 H new ATOM 0 HA ILE A 39 3.928 -7.876 4.003 1.00 0.00 H new ATOM 0 HB ILE A 39 2.930 -7.333 1.219 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.705 -5.185 2.199 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.132 -5.946 2.318 1.00 0.00 H new ATOM 0 HG21 ILE A 39 0.882 -8.331 2.169 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.280 -9.417 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 39 1.693 -8.486 3.746 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.692 -4.765 4.387 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.571 -6.516 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.169 -5.743 4.560 1.00 0.00 H new ATOM 674 N LYS A 40 5.088 -9.727 2.853 1.00 0.00 N ATOM 675 CA LYS A 40 5.926 -10.780 2.304 1.00 0.00 C ATOM 676 C LYS A 40 5.282 -11.466 1.109 1.00 0.00 C ATOM 677 O LYS A 40 4.061 -11.488 0.971 1.00 0.00 O ATOM 678 CB LYS A 40 6.242 -11.807 3.387 1.00 0.00 C ATOM 679 CG LYS A 40 6.651 -11.180 4.710 1.00 0.00 C ATOM 680 CD LYS A 40 8.164 -11.097 4.838 1.00 0.00 C ATOM 681 CE LYS A 40 8.660 -11.827 6.075 1.00 0.00 C ATOM 682 NZ LYS A 40 9.985 -11.320 6.526 1.00 0.00 N ATOM 0 H LYS A 40 4.619 -9.974 3.725 1.00 0.00 H new ATOM 0 HA LYS A 40 6.847 -10.315 1.953 1.00 0.00 H new ATOM 0 HB2 LYS A 40 5.367 -12.437 3.547 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.044 -12.458 3.038 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.222 -10.181 4.790 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.246 -11.767 5.534 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.629 -11.526 3.950 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.469 -10.052 4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.934 -11.711 6.880 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.733 -12.894 5.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.288 -11.844 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.684 -11.453 5.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.910 -10.308 6.754 1.00 0.00 H new ATOM 696 N THR A 41 6.123 -12.041 0.255 1.00 0.00 N ATOM 697 CA THR A 41 5.650 -12.751 -0.923 1.00 0.00 C ATOM 698 C THR A 41 4.764 -13.926 -0.517 1.00 0.00 C ATOM 699 O THR A 41 3.900 -14.356 -1.280 1.00 0.00 O ATOM 700 CB THR A 41 6.836 -13.231 -1.759 1.00 0.00 C ATOM 701 OG1 THR A 41 7.575 -14.220 -1.063 1.00 0.00 O ATOM 702 CG2 THR A 41 7.790 -12.116 -2.129 1.00 0.00 C ATOM 0 H THR A 41 7.138 -12.028 0.359 1.00 0.00 H new ATOM 0 HA THR A 41 5.053 -12.069 -1.529 1.00 0.00 H new ATOM 0 HB THR A 41 6.403 -13.638 -2.673 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.328 -14.515 -1.616 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.610 -12.521 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.260 -11.362 -2.710 1.00 0.00 H new ATOM 0 HG23 THR A 41 8.188 -11.662 -1.222 1.00 0.00 H new ATOM 710 N THR A 42 4.963 -14.422 0.701 1.00 0.00 N ATOM 711 CA THR A 42 4.128 -15.493 1.226 1.00 0.00 C ATOM 712 C THR A 42 2.720 -14.961 1.460 1.00 0.00 C ATOM 713 O THR A 42 1.731 -15.673 1.289 1.00 0.00 O ATOM 714 CB THR A 42 4.711 -16.039 2.532 1.00 0.00 C ATOM 715 OG1 THR A 42 5.341 -15.005 3.268 1.00 0.00 O ATOM 716 CG2 THR A 42 5.727 -17.140 2.323 1.00 0.00 C ATOM 0 H THR A 42 5.691 -14.100 1.338 1.00 0.00 H new ATOM 0 HA THR A 42 4.094 -16.308 0.503 1.00 0.00 H new ATOM 0 HB THR A 42 3.862 -16.453 3.077 1.00 0.00 H new ATOM 0 HG1 THR A 42 5.706 -15.372 4.100 1.00 0.00 H new ATOM 0 HG21 THR A 42 6.099 -17.480 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.258 -17.974 1.801 1.00 0.00 H new ATOM 0 HG23 THR A 42 6.558 -16.760 1.728 1.00 0.00 H new ATOM 724 N ASP A 43 2.652 -13.684 1.822 1.00 0.00 N ATOM 725 CA ASP A 43 1.384 -13.000 2.037 1.00 0.00 C ATOM 726 C ASP A 43 0.694 -12.727 0.704 1.00 0.00 C ATOM 727 O ASP A 43 1.337 -12.703 -0.345 1.00 0.00 O ATOM 728 CB ASP A 43 1.601 -11.688 2.794 1.00 0.00 C ATOM 729 CG ASP A 43 1.996 -11.916 4.241 1.00 0.00 C ATOM 730 OD1 ASP A 43 2.363 -13.059 4.583 1.00 0.00 O ATOM 731 OD2 ASP A 43 1.938 -10.950 5.030 1.00 0.00 O ATOM 0 H ASP A 43 3.472 -13.097 1.974 1.00 0.00 H new ATOM 0 HA ASP A 43 0.745 -13.647 2.638 1.00 0.00 H new ATOM 0 HB2 ASP A 43 2.377 -11.107 2.295 1.00 0.00 H new ATOM 0 HB3 ASP A 43 0.687 -11.095 2.758 1.00 0.00 H new ATOM 736 N PRO A 44 -0.643 -12.601 0.719 1.00 0.00 N ATOM 737 CA PRO A 44 -1.437 -12.345 -0.489 1.00 0.00 C ATOM 738 C PRO A 44 -0.890 -11.196 -1.330 1.00 0.00 C ATOM 739 O PRO A 44 -1.179 -11.103 -2.523 1.00 0.00 O ATOM 740 CB PRO A 44 -2.831 -11.997 0.051 1.00 0.00 C ATOM 741 CG PRO A 44 -2.650 -11.769 1.513 1.00 0.00 C ATOM 742 CD PRO A 44 -1.480 -12.614 1.923 1.00 0.00 C ATOM 0 HA PRO A 44 -1.428 -13.207 -1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -3.230 -11.108 -0.438 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -3.537 -12.807 -0.135 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -2.463 -10.716 1.723 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.547 -12.050 2.065 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -0.959 -12.196 2.784 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -1.785 -13.625 2.195 1.00 0.00 H new ATOM 750 N VAL A 45 -0.055 -10.356 -0.726 1.00 0.00 N ATOM 751 CA VAL A 45 0.519 -9.222 -1.438 1.00 0.00 C ATOM 752 C VAL A 45 1.148 -9.668 -2.753 1.00 0.00 C ATOM 753 O VAL A 45 0.936 -9.048 -3.796 1.00 0.00 O ATOM 754 CB VAL A 45 1.592 -8.506 -0.591 1.00 0.00 C ATOM 755 CG1 VAL A 45 2.780 -9.429 -0.350 1.00 0.00 C ATOM 756 CG2 VAL A 45 2.035 -7.217 -1.268 1.00 0.00 C ATOM 0 H VAL A 45 0.237 -10.439 0.248 1.00 0.00 H new ATOM 0 HA VAL A 45 -0.297 -8.528 -1.638 1.00 0.00 H new ATOM 0 HB VAL A 45 1.158 -8.248 0.375 1.00 0.00 H new ATOM 0 HG11 VAL A 45 3.528 -8.910 0.249 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.446 -10.321 0.180 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.217 -9.717 -1.306 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.792 -6.726 -0.656 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.453 -7.446 -2.248 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.178 -6.554 -1.385 1.00 0.00 H new ATOM 766 N ALA A 46 1.919 -10.749 -2.699 1.00 0.00 N ATOM 767 CA ALA A 46 2.560 -11.284 -3.892 1.00 0.00 C ATOM 768 C ALA A 46 1.517 -11.871 -4.832 1.00 0.00 C ATOM 769 O ALA A 46 1.500 -11.570 -6.025 1.00 0.00 O ATOM 770 CB ALA A 46 3.596 -12.330 -3.517 1.00 0.00 C ATOM 0 H ALA A 46 2.114 -11.270 -1.844 1.00 0.00 H new ATOM 0 HA ALA A 46 3.070 -10.471 -4.408 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.065 -12.719 -4.421 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.356 -11.877 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.112 -13.146 -2.980 1.00 0.00 H new ATOM 776 N LYS A 47 0.629 -12.694 -4.280 1.00 0.00 N ATOM 777 CA LYS A 47 -0.445 -13.282 -5.067 1.00 0.00 C ATOM 778 C LYS A 47 -1.233 -12.180 -5.761 1.00 0.00 C ATOM 779 O LYS A 47 -1.707 -12.349 -6.886 1.00 0.00 O ATOM 780 CB LYS A 47 -1.368 -14.115 -4.176 1.00 0.00 C ATOM 781 CG LYS A 47 -0.664 -15.272 -3.485 1.00 0.00 C ATOM 782 CD LYS A 47 -1.351 -15.647 -2.182 1.00 0.00 C ATOM 783 CE LYS A 47 -0.367 -15.687 -1.024 1.00 0.00 C ATOM 784 NZ LYS A 47 -0.561 -16.891 -0.169 1.00 0.00 N ATOM 0 H LYS A 47 0.633 -12.966 -3.297 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.012 -13.941 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.812 -13.467 -3.420 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -2.186 -14.507 -4.780 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.645 -16.136 -4.149 1.00 0.00 H new ATOM 0 HG3 LYS A 47 0.373 -15.001 -3.286 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.140 -14.927 -1.965 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.829 -16.621 -2.289 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.651 -15.679 -1.413 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.484 -14.789 -0.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.130 -16.880 0.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.524 -16.887 0.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.424 -17.749 -0.741 1.00 0.00 H new ATOM 798 N ALA A 48 -1.340 -11.039 -5.089 1.00 0.00 N ATOM 799 CA ALA A 48 -2.010 -9.879 -5.648 1.00 0.00 C ATOM 800 C ALA A 48 -1.072 -9.142 -6.592 1.00 0.00 C ATOM 801 O ALA A 48 0.139 -9.111 -6.375 1.00 0.00 O ATOM 802 CB ALA A 48 -2.492 -8.955 -4.539 1.00 0.00 C ATOM 0 H ALA A 48 -0.967 -10.896 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.881 -10.213 -6.212 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.992 -8.091 -4.977 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.190 -9.491 -3.897 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -1.639 -8.620 -3.948 1.00 0.00 H new ATOM 808 N ILE A 49 -1.629 -8.599 -7.666 1.00 0.00 N ATOM 809 CA ILE A 49 -0.842 -7.887 -8.673 1.00 0.00 C ATOM 810 C ILE A 49 0.424 -8.660 -9.044 1.00 0.00 C ATOM 811 O ILE A 49 1.410 -8.076 -9.483 1.00 0.00 O ATOM 812 CB ILE A 49 -0.454 -6.467 -8.202 1.00 0.00 C ATOM 813 CG1 ILE A 49 0.400 -6.527 -6.934 1.00 0.00 C ATOM 814 CG2 ILE A 49 -1.703 -5.631 -7.963 1.00 0.00 C ATOM 815 CD1 ILE A 49 0.931 -5.179 -6.502 1.00 0.00 C ATOM 0 H ILE A 49 -2.628 -8.637 -7.866 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.477 -7.801 -9.554 1.00 0.00 H new ATOM 0 HB ILE A 49 0.138 -5.996 -8.987 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.194 -6.951 -6.125 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.239 -7.203 -7.102 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -1.415 -4.633 -7.632 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.273 -5.555 -8.889 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.317 -6.105 -7.197 1.00 0.00 H new ATOM 0 HD11 ILE A 49 1.527 -5.296 -5.597 1.00 0.00 H new ATOM 0 HD12 ILE A 49 1.552 -4.762 -7.295 1.00 0.00 H new ATOM 0 HD13 ILE A 49 0.097 -4.506 -6.302 1.00 0.00 H new ATOM 827 N GLY A 50 0.387 -9.982 -8.872 1.00 0.00 N ATOM 828 CA GLY A 50 1.529 -10.819 -9.212 1.00 0.00 C ATOM 829 C GLY A 50 2.864 -10.212 -8.816 1.00 0.00 C ATOM 830 O GLY A 50 3.840 -10.311 -9.560 1.00 0.00 O ATOM 0 H GLY A 50 -0.417 -10.489 -8.502 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.419 -11.786 -8.722 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.527 -11.004 -10.286 1.00 0.00 H new ATOM 834 N ALA A 51 2.913 -9.587 -7.644 1.00 0.00 N ATOM 835 CA ALA A 51 4.147 -8.968 -7.166 1.00 0.00 C ATOM 836 C ALA A 51 5.220 -10.011 -6.905 1.00 0.00 C ATOM 837 O ALA A 51 4.922 -11.176 -6.639 1.00 0.00 O ATOM 838 CB ALA A 51 3.901 -8.156 -5.903 1.00 0.00 C ATOM 0 H ALA A 51 2.119 -9.495 -7.010 1.00 0.00 H new ATOM 0 HA ALA A 51 4.496 -8.297 -7.951 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.837 -7.707 -5.571 1.00 0.00 H new ATOM 0 HB2 ALA A 51 3.176 -7.370 -6.112 1.00 0.00 H new ATOM 0 HB3 ALA A 51 3.514 -8.809 -5.121 1.00 0.00 H new ATOM 844 N LYS A 52 6.469 -9.577 -6.968 1.00 0.00 N ATOM 845 CA LYS A 52 7.597 -10.461 -6.725 1.00 0.00 C ATOM 846 C LYS A 52 8.499 -9.900 -5.632 1.00 0.00 C ATOM 847 O LYS A 52 8.423 -8.719 -5.297 1.00 0.00 O ATOM 848 CB LYS A 52 8.389 -10.689 -8.015 1.00 0.00 C ATOM 849 CG LYS A 52 9.322 -9.546 -8.388 1.00 0.00 C ATOM 850 CD LYS A 52 10.308 -9.964 -9.466 1.00 0.00 C ATOM 851 CE LYS A 52 10.329 -8.973 -10.618 1.00 0.00 C ATOM 852 NZ LYS A 52 10.755 -9.611 -11.894 1.00 0.00 N ATOM 0 H LYS A 52 6.727 -8.615 -7.186 1.00 0.00 H new ATOM 0 HA LYS A 52 7.210 -11.422 -6.385 1.00 0.00 H new ATOM 0 HB2 LYS A 52 8.976 -11.602 -7.911 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.688 -10.852 -8.834 1.00 0.00 H new ATOM 0 HG2 LYS A 52 8.736 -8.696 -8.738 1.00 0.00 H new ATOM 0 HG3 LYS A 52 9.866 -9.215 -7.503 1.00 0.00 H new ATOM 0 HD2 LYS A 52 11.306 -10.044 -9.036 1.00 0.00 H new ATOM 0 HD3 LYS A 52 10.042 -10.953 -9.840 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.336 -8.541 -10.743 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.006 -8.153 -10.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.756 -8.901 -12.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 11.713 -10.002 -11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 10.095 -10.377 -12.137 1.00 0.00 H new ATOM 866 N ARG A 53 9.333 -10.760 -5.069 1.00 0.00 N ATOM 867 CA ARG A 53 10.248 -10.352 -4.013 1.00 0.00 C ATOM 868 C ARG A 53 11.105 -9.174 -4.463 1.00 0.00 C ATOM 869 O ARG A 53 12.079 -9.346 -5.197 1.00 0.00 O ATOM 870 CB ARG A 53 11.139 -11.522 -3.601 1.00 0.00 C ATOM 871 CG ARG A 53 11.494 -11.521 -2.126 1.00 0.00 C ATOM 872 CD ARG A 53 12.480 -10.411 -1.797 1.00 0.00 C ATOM 873 NE ARG A 53 13.743 -10.932 -1.285 1.00 0.00 N ATOM 874 CZ ARG A 53 14.680 -10.170 -0.731 1.00 0.00 C ATOM 875 NH1 ARG A 53 14.492 -8.862 -0.619 1.00 0.00 N ATOM 876 NH2 ARG A 53 15.805 -10.714 -0.287 1.00 0.00 N ATOM 0 H ARG A 53 9.396 -11.745 -5.325 1.00 0.00 H new ATOM 0 HA ARG A 53 9.656 -10.038 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 53 10.634 -12.457 -3.845 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.057 -11.494 -4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.589 -11.395 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.923 -12.485 -1.852 1.00 0.00 H new ATOM 0 HD2 ARG A 53 12.669 -9.818 -2.692 1.00 0.00 H new ATOM 0 HD3 ARG A 53 12.039 -9.742 -1.059 1.00 0.00 H new ATOM 0 HE ARG A 53 13.916 -11.935 -1.356 1.00 0.00 H new ATOM 0 HH11 ARG A 53 13.628 -8.440 -0.958 1.00 0.00 H new ATOM 0 HH12 ARG A 53 15.212 -8.278 -0.194 1.00 0.00 H new ATOM 0 HH21 ARG A 53 15.953 -11.720 -0.370 1.00 0.00 H new ATOM 0 HH22 ARG A 53 16.523 -10.127 0.138 1.00 0.00 H new ATOM 890 N GLY A 54 10.730 -7.978 -4.023 1.00 0.00 N ATOM 891 CA GLY A 54 11.463 -6.783 -4.399 1.00 0.00 C ATOM 892 C GLY A 54 10.632 -5.836 -5.242 1.00 0.00 C ATOM 893 O GLY A 54 11.172 -4.976 -5.937 1.00 0.00 O ATOM 0 H GLY A 54 9.930 -7.814 -3.412 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.796 -6.266 -3.499 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.358 -7.068 -4.953 1.00 0.00 H new ATOM 897 N ASP A 55 9.313 -5.995 -5.180 1.00 0.00 N ATOM 898 CA ASP A 55 8.403 -5.156 -5.946 1.00 0.00 C ATOM 899 C ASP A 55 7.509 -4.339 -5.019 1.00 0.00 C ATOM 900 O ASP A 55 6.813 -4.892 -4.169 1.00 0.00 O ATOM 901 CB ASP A 55 7.534 -6.026 -6.858 1.00 0.00 C ATOM 902 CG ASP A 55 7.864 -5.837 -8.325 1.00 0.00 C ATOM 903 OD1 ASP A 55 8.891 -5.190 -8.624 1.00 0.00 O ATOM 904 OD2 ASP A 55 7.098 -6.336 -9.176 1.00 0.00 O ATOM 0 H ASP A 55 8.852 -6.700 -4.605 1.00 0.00 H new ATOM 0 HA ASP A 55 8.997 -4.471 -6.551 1.00 0.00 H new ATOM 0 HB2 ASP A 55 7.668 -7.074 -6.591 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.484 -5.786 -6.691 1.00 0.00 H new ATOM 909 N ILE A 56 7.507 -3.024 -5.210 1.00 0.00 N ATOM 910 CA ILE A 56 6.681 -2.142 -4.399 1.00 0.00 C ATOM 911 C ILE A 56 5.369 -1.833 -5.114 1.00 0.00 C ATOM 912 O ILE A 56 5.336 -1.691 -6.335 1.00 0.00 O ATOM 913 CB ILE A 56 7.415 -0.828 -4.070 1.00 0.00 C ATOM 914 CG1 ILE A 56 8.673 -1.124 -3.254 1.00 0.00 C ATOM 915 CG2 ILE A 56 6.504 0.132 -3.311 1.00 0.00 C ATOM 916 CD1 ILE A 56 9.949 -1.072 -4.067 1.00 0.00 C ATOM 0 H ILE A 56 8.067 -2.548 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 56 6.469 -2.660 -3.463 1.00 0.00 H new ATOM 0 HB ILE A 56 7.702 -0.350 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 56 8.743 -0.406 -2.437 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.579 -2.112 -2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.047 1.051 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.630 0.363 -3.921 1.00 0.00 H new ATOM 0 HG23 ILE A 56 6.183 -0.332 -2.378 1.00 0.00 H new ATOM 0 HD11 ILE A 56 10.800 -1.292 -3.423 1.00 0.00 H new ATOM 0 HD12 ILE A 56 9.900 -1.809 -4.868 1.00 0.00 H new ATOM 0 HD13 ILE A 56 10.067 -0.077 -4.496 1.00 0.00 H new ATOM 928 N VAL A 57 4.289 -1.746 -4.347 1.00 0.00 N ATOM 929 CA VAL A 57 2.974 -1.481 -4.915 1.00 0.00 C ATOM 930 C VAL A 57 2.501 -0.062 -4.611 1.00 0.00 C ATOM 931 O VAL A 57 2.746 0.469 -3.531 1.00 0.00 O ATOM 932 CB VAL A 57 1.924 -2.477 -4.403 1.00 0.00 C ATOM 933 CG1 VAL A 57 1.727 -2.315 -2.906 1.00 0.00 C ATOM 934 CG2 VAL A 57 0.615 -2.289 -5.151 1.00 0.00 C ATOM 0 H VAL A 57 4.298 -1.855 -3.333 1.00 0.00 H new ATOM 0 HA VAL A 57 3.081 -1.597 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 57 2.278 -3.491 -4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 57 0.980 -3.028 -2.558 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.671 -2.499 -2.393 1.00 0.00 H new ATOM 0 HG13 VAL A 57 1.389 -1.301 -2.691 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.122 -3.001 -4.779 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.250 -1.274 -4.995 1.00 0.00 H new ATOM 0 HG23 VAL A 57 0.777 -2.457 -6.216 1.00 0.00 H new ATOM 944 N LYS A 58 1.836 0.546 -5.587 1.00 0.00 N ATOM 945 CA LYS A 58 1.337 1.909 -5.455 1.00 0.00 C ATOM 946 C LYS A 58 -0.186 1.923 -5.291 1.00 0.00 C ATOM 947 O LYS A 58 -0.925 1.520 -6.189 1.00 0.00 O ATOM 948 CB LYS A 58 1.799 2.734 -6.682 1.00 0.00 C ATOM 949 CG LYS A 58 0.736 3.590 -7.369 1.00 0.00 C ATOM 950 CD LYS A 58 0.303 4.762 -6.509 1.00 0.00 C ATOM 951 CE LYS A 58 1.165 5.988 -6.757 1.00 0.00 C ATOM 952 NZ LYS A 58 0.418 7.052 -7.483 1.00 0.00 N ATOM 0 H LYS A 58 1.629 0.111 -6.486 1.00 0.00 H new ATOM 0 HA LYS A 58 1.748 2.366 -4.555 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.612 3.388 -6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.212 2.046 -7.420 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.127 3.961 -8.316 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.131 2.972 -7.602 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -0.740 5.002 -6.718 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.361 4.483 -5.457 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.522 6.380 -5.805 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.045 5.703 -7.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.089 7.658 -7.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.241 6.614 -8.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -0.117 7.628 -6.801 1.00 0.00 H new ATOM 966 N ILE A 59 -0.642 2.391 -4.134 1.00 0.00 N ATOM 967 CA ILE A 59 -2.070 2.518 -3.864 1.00 0.00 C ATOM 968 C ILE A 59 -2.430 3.982 -3.652 1.00 0.00 C ATOM 969 O ILE A 59 -1.694 4.714 -2.994 1.00 0.00 O ATOM 970 CB ILE A 59 -2.496 1.713 -2.620 1.00 0.00 C ATOM 971 CG1 ILE A 59 -2.171 0.232 -2.797 1.00 0.00 C ATOM 972 CG2 ILE A 59 -3.982 1.885 -2.353 1.00 0.00 C ATOM 973 CD1 ILE A 59 -0.934 -0.206 -2.048 1.00 0.00 C ATOM 0 H ILE A 59 -0.041 2.690 -3.366 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.599 2.118 -4.729 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.937 2.096 -1.766 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.020 -0.361 -2.459 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.038 0.021 -3.858 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -4.262 1.309 -1.471 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.201 2.939 -2.183 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.550 1.531 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.763 -1.269 -2.218 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.074 0.362 -2.403 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.072 -0.027 -0.982 1.00 0.00 H new ATOM 985 N ILE A 60 -3.557 4.413 -4.208 1.00 0.00 N ATOM 986 CA ILE A 60 -3.985 5.798 -4.059 1.00 0.00 C ATOM 987 C ILE A 60 -5.375 5.896 -3.446 1.00 0.00 C ATOM 988 O ILE A 60 -6.324 5.269 -3.917 1.00 0.00 O ATOM 989 CB ILE A 60 -3.986 6.544 -5.404 1.00 0.00 C ATOM 990 CG1 ILE A 60 -2.705 6.232 -6.173 1.00 0.00 C ATOM 991 CG2 ILE A 60 -4.129 8.044 -5.180 1.00 0.00 C ATOM 992 CD1 ILE A 60 -2.951 5.603 -7.526 1.00 0.00 C ATOM 0 H ILE A 60 -4.185 3.829 -4.761 1.00 0.00 H new ATOM 0 HA ILE A 60 -3.262 6.265 -3.390 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.838 6.207 -5.995 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.138 7.153 -6.307 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.087 5.561 -5.576 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -4.128 8.557 -6.142 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.066 8.247 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -3.295 8.403 -4.576 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.997 5.409 -8.016 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -3.491 4.665 -7.398 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.543 6.281 -8.140 1.00 0.00 H new ATOM 1149 N VAL A 70 -1.675 8.296 -0.784 1.00 0.00 N ATOM 1150 CA VAL A 70 -1.021 7.154 -1.409 1.00 0.00 C ATOM 1151 C VAL A 70 -0.113 6.424 -0.419 1.00 0.00 C ATOM 1152 O VAL A 70 0.607 7.049 0.359 1.00 0.00 O ATOM 1153 CB VAL A 70 -0.195 7.580 -2.640 1.00 0.00 C ATOM 1154 CG1 VAL A 70 0.520 6.385 -3.254 1.00 0.00 C ATOM 1155 CG2 VAL A 70 -1.086 8.258 -3.671 1.00 0.00 C ATOM 0 HA VAL A 70 -1.812 6.477 -1.733 1.00 0.00 H new ATOM 0 HB VAL A 70 0.560 8.294 -2.312 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.096 6.711 -4.120 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.192 5.945 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.214 5.642 -3.565 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.487 8.552 -4.533 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.865 7.566 -3.990 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.545 9.143 -3.230 1.00 0.00 H new ATOM 1165 N THR A 71 -0.154 5.094 -0.462 1.00 0.00 N ATOM 1166 CA THR A 71 0.666 4.269 0.420 1.00 0.00 C ATOM 1167 C THR A 71 1.354 3.161 -0.368 1.00 0.00 C ATOM 1168 O THR A 71 0.711 2.443 -1.136 1.00 0.00 O ATOM 1169 CB THR A 71 -0.196 3.660 1.528 1.00 0.00 C ATOM 1170 OG1 THR A 71 0.616 3.038 2.509 1.00 0.00 O ATOM 1171 CG2 THR A 71 -1.180 2.627 1.022 1.00 0.00 C ATOM 0 H THR A 71 -0.748 4.564 -1.100 1.00 0.00 H new ATOM 0 HA THR A 71 1.429 4.904 0.870 1.00 0.00 H new ATOM 0 HB THR A 71 -0.757 4.494 1.950 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.048 2.656 3.210 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.759 2.236 1.858 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.853 3.089 0.299 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.638 1.812 0.543 1.00 0.00 H new ATOM 1179 N TYR A 72 2.665 3.029 -0.188 1.00 0.00 N ATOM 1180 CA TYR A 72 3.431 2.017 -0.909 1.00 0.00 C ATOM 1181 C TYR A 72 3.791 0.835 -0.015 1.00 0.00 C ATOM 1182 O TYR A 72 4.100 1.001 1.165 1.00 0.00 O ATOM 1183 CB TYR A 72 4.709 2.622 -1.494 1.00 0.00 C ATOM 1184 CG TYR A 72 4.503 3.369 -2.794 1.00 0.00 C ATOM 1185 CD1 TYR A 72 3.284 3.960 -3.098 1.00 0.00 C ATOM 1186 CD2 TYR A 72 5.537 3.493 -3.712 1.00 0.00 C ATOM 1187 CE1 TYR A 72 3.101 4.646 -4.284 1.00 0.00 C ATOM 1188 CE2 TYR A 72 5.362 4.181 -4.894 1.00 0.00 C ATOM 1189 CZ TYR A 72 4.145 4.758 -5.174 1.00 0.00 C ATOM 1190 OH TYR A 72 3.961 5.431 -6.360 1.00 0.00 O ATOM 0 H TYR A 72 3.217 3.606 0.447 1.00 0.00 H new ATOM 0 HA TYR A 72 2.797 1.653 -1.718 1.00 0.00 H new ATOM 0 HB2 TYR A 72 5.144 3.303 -0.762 1.00 0.00 H new ATOM 0 HB3 TYR A 72 5.434 1.824 -1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 72 2.466 3.883 -2.397 1.00 0.00 H new ATOM 0 HD2 TYR A 72 6.495 3.043 -3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.144 5.092 -4.511 1.00 0.00 H new ATOM 0 HE2 TYR A 72 6.177 4.267 -5.597 1.00 0.00 H new ATOM 0 HH TYR A 72 4.036 4.802 -7.108 1.00 0.00 H new ATOM 1200 N ARG A 73 3.765 -0.357 -0.602 1.00 0.00 N ATOM 1201 CA ARG A 73 4.137 -1.579 0.101 1.00 0.00 C ATOM 1202 C ARG A 73 5.205 -2.321 -0.695 1.00 0.00 C ATOM 1203 O ARG A 73 5.032 -2.567 -1.885 1.00 0.00 O ATOM 1204 CB ARG A 73 2.916 -2.477 0.293 1.00 0.00 C ATOM 1205 CG ARG A 73 1.780 -1.803 1.041 1.00 0.00 C ATOM 1206 CD ARG A 73 1.453 -2.532 2.332 1.00 0.00 C ATOM 1207 NE ARG A 73 0.088 -3.052 2.331 1.00 0.00 N ATOM 1208 CZ ARG A 73 -0.601 -3.331 3.434 1.00 0.00 C ATOM 1209 NH1 ARG A 73 -0.055 -3.145 4.628 1.00 0.00 N ATOM 1210 NH2 ARG A 73 -1.839 -3.798 3.343 1.00 0.00 N ATOM 0 H ARG A 73 3.487 -0.503 -1.573 1.00 0.00 H new ATOM 0 HA ARG A 73 4.532 -1.315 1.082 1.00 0.00 H new ATOM 0 HB2 ARG A 73 2.556 -2.801 -0.684 1.00 0.00 H new ATOM 0 HB3 ARG A 73 3.216 -3.374 0.835 1.00 0.00 H new ATOM 0 HG2 ARG A 73 2.051 -0.771 1.264 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.894 -1.770 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 73 2.155 -3.354 2.473 1.00 0.00 H new ATOM 0 HD3 ARG A 73 1.583 -1.854 3.175 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.364 -3.211 1.430 1.00 0.00 H new ATOM 0 HH11 ARG A 73 0.897 -2.787 4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -0.587 -3.360 5.471 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -2.263 -3.943 2.427 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -2.367 -4.012 4.189 1.00 0.00 H new ATOM 1224 N LEU A 74 6.299 -2.687 -0.034 1.00 0.00 N ATOM 1225 CA LEU A 74 7.403 -3.372 -0.702 1.00 0.00 C ATOM 1226 C LEU A 74 7.368 -4.872 -0.427 1.00 0.00 C ATOM 1227 O LEU A 74 7.440 -5.303 0.724 1.00 0.00 O ATOM 1228 CB LEU A 74 8.743 -2.784 -0.227 1.00 0.00 C ATOM 1229 CG LEU A 74 9.991 -3.098 -1.076 1.00 0.00 C ATOM 1230 CD1 LEU A 74 11.209 -3.238 -0.177 1.00 0.00 C ATOM 1231 CD2 LEU A 74 9.811 -4.356 -1.919 1.00 0.00 C ATOM 0 H LEU A 74 6.446 -2.522 0.962 1.00 0.00 H new ATOM 0 HA LEU A 74 7.298 -3.222 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 74 8.636 -1.701 -0.172 1.00 0.00 H new ATOM 0 HB3 LEU A 74 8.927 -3.138 0.787 1.00 0.00 H new ATOM 0 HG LEU A 74 10.138 -2.265 -1.764 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.086 -3.460 -0.785 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.370 -2.306 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.046 -4.048 0.534 1.00 0.00 H new ATOM 0 HD21 LEU A 74 10.715 -4.537 -2.500 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.623 -5.208 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.966 -4.223 -2.595 1.00 0.00 H new ATOM 1243 N VAL A 75 7.278 -5.665 -1.493 1.00 0.00 N ATOM 1244 CA VAL A 75 7.268 -7.118 -1.359 1.00 0.00 C ATOM 1245 C VAL A 75 8.660 -7.623 -0.990 1.00 0.00 C ATOM 1246 O VAL A 75 9.610 -7.472 -1.760 1.00 0.00 O ATOM 1247 CB VAL A 75 6.796 -7.804 -2.660 1.00 0.00 C ATOM 1248 CG1 VAL A 75 6.874 -9.321 -2.544 1.00 0.00 C ATOM 1249 CG2 VAL A 75 5.382 -7.374 -2.997 1.00 0.00 C ATOM 0 H VAL A 75 7.211 -5.327 -2.453 1.00 0.00 H new ATOM 0 HA VAL A 75 6.565 -7.371 -0.565 1.00 0.00 H new ATOM 0 HB VAL A 75 7.462 -7.494 -3.465 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.535 -9.775 -3.475 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.904 -9.618 -2.349 1.00 0.00 H new ATOM 0 HG13 VAL A 75 6.238 -9.656 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 75 5.062 -7.865 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 75 4.713 -7.655 -2.184 1.00 0.00 H new ATOM 0 HG23 VAL A 75 5.353 -6.293 -3.134 1.00 0.00 H new ATOM 1259 N GLN A 76 8.774 -8.213 0.193 1.00 0.00 N ATOM 1260 CA GLN A 76 10.058 -8.711 0.677 1.00 0.00 C ATOM 1261 C GLN A 76 9.968 -10.168 1.114 1.00 0.00 C ATOM 1262 O GLN A 76 8.904 -10.648 1.495 1.00 0.00 O ATOM 1263 CB GLN A 76 10.549 -7.852 1.843 1.00 0.00 C ATOM 1264 CG GLN A 76 11.961 -8.189 2.295 1.00 0.00 C ATOM 1265 CD GLN A 76 12.334 -7.510 3.597 1.00 0.00 C ATOM 1266 OE1 GLN A 76 11.886 -6.400 3.883 1.00 0.00 O ATOM 1267 NE2 GLN A 76 13.160 -8.175 4.396 1.00 0.00 N ATOM 0 H GLN A 76 7.995 -8.359 0.835 1.00 0.00 H new ATOM 0 HA GLN A 76 10.768 -8.650 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 76 10.511 -6.802 1.551 1.00 0.00 H new ATOM 0 HB3 GLN A 76 9.868 -7.974 2.685 1.00 0.00 H new ATOM 0 HG2 GLN A 76 12.053 -9.269 2.413 1.00 0.00 H new ATOM 0 HG3 GLN A 76 12.667 -7.892 1.520 1.00 0.00 H new ATOM 0 HE21 GLN A 76 13.508 -9.093 4.120 1.00 0.00 H new ATOM 0 HE22 GLN A 76 13.447 -7.768 5.286 1.00 0.00 H new ATOM 1276 N ASP A 77 11.098 -10.866 1.078 1.00 0.00 N ATOM 1277 CA ASP A 77 11.143 -12.263 1.490 1.00 0.00 C ATOM 1278 C ASP A 77 11.143 -12.379 3.011 1.00 0.00 C ATOM 1279 O ASP A 77 10.406 -13.239 3.538 1.00 0.00 O ATOM 1280 CB ASP A 77 12.386 -12.947 0.919 1.00 0.00 C ATOM 1281 CG ASP A 77 12.204 -14.444 0.763 1.00 0.00 C ATOM 1282 OD1 ASP A 77 11.332 -15.010 1.455 1.00 0.00 O ATOM 1283 OD2 ASP A 77 12.934 -15.050 -0.049 1.00 0.00 O ATOM 1284 OXT ASP A 77 11.881 -11.610 3.662 1.00 0.00 O ATOM 0 H ASP A 77 11.993 -10.488 0.768 1.00 0.00 H new ATOM 0 HA ASP A 77 10.253 -12.759 1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.624 -12.510 -0.051 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.236 -12.754 1.573 1.00 0.00 H new