USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 600 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 Set 1.1: A 74 THR OG1 : rot -86:sc= 0.134 USER MOD Set 1.2: A 75 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 62 THR OG1 : rot 161:sc= 0.666 USER MOD Set 2.2: A 66 GLN : amide:sc= 0.799 K(o=1.5,f=-0.2) USER MOD Set 3.1: A 19 HIS : no HE2:sc= -6.83! C(o=-8.7!,f=-8.8!) USER MOD Set 3.2: A 21 MET CE :methyl -116:sc= -1.92 (180deg=-1.79) USER MOD Set 3.3: A 87 HIS :FLIP no HE2:sc= 0.00407 F(o=-9.8,f=-8.7) USER MOD Single : A 24 GLN : amide:sc= -0.494 K(o=-0.49,f=-2.2) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -0.485 K(o=-0.48,f=-1.3) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -2.44 K(o=-2.4,f=-8.7!) USER MOD Single : A 35 GLN : amide:sc= -0.855 K(o=-0.85,f=-3.2!) USER MOD Single : A 44 SER OG : rot -160:sc= -0.065 USER MOD Single : A 45 ASN : amide:sc= -0.673 X(o=-0.67,f=-0.63) USER MOD Single : A 46 HIS : no HE2:sc= -1.53 K(o=-1.5,f=-4.2!) USER MOD Single : A 50 ASN : amide:sc= -0.15 K(o=-0.15,f=-1.5) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.2) USER MOD Single : A 59 MET CE :methyl 179:sc= -2.24! (180deg=-2.24!) USER MOD Single : A 61 THR OG1 : rot -4:sc= 0.666 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 205 N ARG A 16 -5.195 9.533 -3.080 1.00 0.00 N ATOM 206 CA ARG A 16 -4.762 8.158 -3.296 1.00 0.00 C ATOM 207 C ARG A 16 -3.590 7.808 -2.383 1.00 0.00 C ATOM 208 O ARG A 16 -2.462 8.247 -2.607 1.00 0.00 O ATOM 209 CB ARG A 16 -4.362 7.950 -4.758 1.00 0.00 C ATOM 210 CG ARG A 16 -4.753 9.105 -5.666 1.00 0.00 C ATOM 211 CD ARG A 16 -3.770 10.259 -5.552 1.00 0.00 C ATOM 212 NE ARG A 16 -4.429 11.504 -5.165 1.00 0.00 N ATOM 213 CZ ARG A 16 -3.913 12.708 -5.385 1.00 0.00 C ATOM 214 NH1 ARG A 16 -2.738 12.830 -5.987 1.00 0.00 N ATOM 215 NH2 ARG A 16 -4.574 13.794 -5.003 1.00 0.00 N ATOM 0 HA ARG A 16 -5.597 7.499 -3.057 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.283 7.804 -4.814 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -4.827 7.036 -5.127 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -4.793 8.760 -6.699 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -5.754 9.451 -5.407 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -3.004 10.011 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -3.263 10.399 -6.507 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.335 11.445 -4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -2.228 11.998 -6.283 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -2.344 13.756 -6.154 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.479 13.704 -4.540 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -4.177 14.718 -5.172 1.00 0.00 H new ATOM 229 N VAL A 17 -3.866 7.014 -1.352 1.00 0.00 N ATOM 230 CA VAL A 17 -2.835 6.604 -0.407 1.00 0.00 C ATOM 231 C VAL A 17 -3.021 5.149 0.010 1.00 0.00 C ATOM 232 O VAL A 17 -3.829 4.842 0.887 1.00 0.00 O ATOM 233 CB VAL A 17 -2.844 7.492 0.852 1.00 0.00 C ATOM 234 CG1 VAL A 17 -1.867 6.958 1.888 1.00 0.00 C ATOM 235 CG2 VAL A 17 -2.513 8.932 0.487 1.00 0.00 C ATOM 0 H VAL A 17 -4.794 6.643 -1.151 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.877 6.715 -0.914 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.844 7.470 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -1.887 7.598 2.770 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -2.152 5.944 2.168 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.861 6.949 1.469 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.523 9.547 1.387 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -1.524 8.974 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.254 9.308 -0.218 1.00 0.00 H new ATOM 245 N VAL A 18 -2.266 4.257 -0.621 1.00 0.00 N ATOM 246 CA VAL A 18 -2.345 2.834 -0.315 1.00 0.00 C ATOM 247 C VAL A 18 -1.475 2.482 0.886 1.00 0.00 C ATOM 248 O VAL A 18 -0.249 2.439 0.789 1.00 0.00 O ATOM 249 CB VAL A 18 -1.911 1.975 -1.517 1.00 0.00 C ATOM 250 CG1 VAL A 18 -0.715 2.603 -2.218 1.00 0.00 C ATOM 251 CG2 VAL A 18 -1.592 0.556 -1.072 1.00 0.00 C ATOM 0 H VAL A 18 -1.592 4.495 -1.348 1.00 0.00 H new ATOM 0 HA VAL A 18 -3.388 2.618 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.737 1.932 -2.226 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.422 1.982 -3.065 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.983 3.598 -2.573 1.00 0.00 H new ATOM 0 HG13 VAL A 18 0.118 2.679 -1.519 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.287 -0.036 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.783 0.577 -0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.477 0.109 -0.620 1.00 0.00 H new ATOM 261 N HIS A 19 -2.118 2.229 2.022 1.00 0.00 N ATOM 262 CA HIS A 19 -1.404 1.878 3.244 1.00 0.00 C ATOM 263 C HIS A 19 -1.072 0.390 3.272 1.00 0.00 C ATOM 264 O HIS A 19 -1.950 -0.455 3.098 1.00 0.00 O ATOM 265 CB HIS A 19 -2.237 2.250 4.471 1.00 0.00 C ATOM 266 CG HIS A 19 -1.575 1.908 5.771 1.00 0.00 C ATOM 267 ND1 HIS A 19 -2.250 1.866 6.972 1.00 0.00 N ATOM 268 CD2 HIS A 19 -0.290 1.590 6.053 1.00 0.00 C ATOM 269 CE1 HIS A 19 -1.409 1.538 7.936 1.00 0.00 C ATOM 270 NE2 HIS A 19 -0.212 1.365 7.405 1.00 0.00 N ATOM 0 H HIS A 19 -3.133 2.261 2.121 1.00 0.00 H new ATOM 0 HA HIS A 19 -0.470 2.440 3.264 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -2.444 3.320 4.449 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -3.198 1.738 4.416 1.00 0.00 H new ATOM 0 HD1 HIS A 19 -3.244 2.058 7.097 1.00 0.00 H new ATOM 0 HD2 HIS A 19 0.523 1.525 5.345 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -1.658 1.430 8.981 1.00 0.00 H new ATOM 278 N ILE A 20 0.201 0.076 3.490 1.00 0.00 N ATOM 279 CA ILE A 20 0.648 -1.310 3.540 1.00 0.00 C ATOM 280 C ILE A 20 1.347 -1.614 4.861 1.00 0.00 C ATOM 281 O ILE A 20 2.298 -0.934 5.243 1.00 0.00 O ATOM 282 CB ILE A 20 1.606 -1.635 2.379 1.00 0.00 C ATOM 283 CG1 ILE A 20 1.012 -1.162 1.051 1.00 0.00 C ATOM 284 CG2 ILE A 20 1.895 -3.128 2.333 1.00 0.00 C ATOM 285 CD1 ILE A 20 1.987 -0.382 0.196 1.00 0.00 C ATOM 0 H ILE A 20 0.941 0.763 3.635 1.00 0.00 H new ATOM 0 HA ILE A 20 -0.242 -1.932 3.450 1.00 0.00 H new ATOM 0 HB ILE A 20 2.545 -1.107 2.544 1.00 0.00 H new ATOM 0 HG12 ILE A 20 0.662 -2.028 0.490 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.140 -0.540 1.253 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.573 -3.342 1.507 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.356 -3.439 3.271 1.00 0.00 H new ATOM 0 HG23 ILE A 20 0.963 -3.675 2.188 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.498 -0.079 -0.730 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.319 0.504 0.738 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.848 -1.008 -0.037 1.00 0.00 H new ATOM 297 N MET A 21 0.869 -2.644 5.553 1.00 0.00 N ATOM 298 CA MET A 21 1.450 -3.041 6.831 1.00 0.00 C ATOM 299 C MET A 21 1.728 -4.541 6.859 1.00 0.00 C ATOM 300 O MET A 21 1.219 -5.292 6.026 1.00 0.00 O ATOM 301 CB MET A 21 0.515 -2.662 7.981 1.00 0.00 C ATOM 302 CG MET A 21 -0.307 -1.413 7.709 1.00 0.00 C ATOM 303 SD MET A 21 -2.067 -1.763 7.536 1.00 0.00 S ATOM 304 CE MET A 21 -2.310 -1.427 5.794 1.00 0.00 C ATOM 0 H MET A 21 0.082 -3.218 5.251 1.00 0.00 H new ATOM 0 HA MET A 21 2.395 -2.512 6.952 1.00 0.00 H new ATOM 0 HB2 MET A 21 -0.160 -3.495 8.180 1.00 0.00 H new ATOM 0 HB3 MET A 21 1.106 -2.508 8.884 1.00 0.00 H new ATOM 0 HG2 MET A 21 -0.160 -0.702 8.522 1.00 0.00 H new ATOM 0 HG3 MET A 21 0.056 -0.935 6.799 1.00 0.00 H new ATOM 0 HE1 MET A 21 -2.990 -0.583 5.678 1.00 0.00 H new ATOM 0 HE2 MET A 21 -1.352 -1.187 5.333 1.00 0.00 H new ATOM 0 HE3 MET A 21 -2.736 -2.306 5.310 1.00 0.00 H new ATOM 314 N ASP A 22 2.538 -4.970 7.820 1.00 0.00 N ATOM 315 CA ASP A 22 2.882 -6.381 7.956 1.00 0.00 C ATOM 316 C ASP A 22 3.915 -6.791 6.912 1.00 0.00 C ATOM 317 O ASP A 22 4.190 -7.978 6.729 1.00 0.00 O ATOM 318 CB ASP A 22 1.630 -7.249 7.824 1.00 0.00 C ATOM 319 CG ASP A 22 1.815 -8.629 8.423 1.00 0.00 C ATOM 320 OD1 ASP A 22 2.966 -9.110 8.458 1.00 0.00 O ATOM 321 OD2 ASP A 22 0.808 -9.228 8.856 1.00 0.00 O ATOM 0 H ASP A 22 2.969 -4.362 8.516 1.00 0.00 H new ATOM 0 HA ASP A 22 3.314 -6.531 8.946 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.794 -6.752 8.316 1.00 0.00 H new ATOM 0 HB3 ASP A 22 1.368 -7.346 6.770 1.00 0.00 H new ATOM 326 N PHE A 23 4.482 -5.804 6.228 1.00 0.00 N ATOM 327 CA PHE A 23 5.483 -6.062 5.199 1.00 0.00 C ATOM 328 C PHE A 23 6.893 -5.960 5.775 1.00 0.00 C ATOM 329 O PHE A 23 7.182 -5.078 6.581 1.00 0.00 O ATOM 330 CB PHE A 23 5.320 -5.077 4.040 1.00 0.00 C ATOM 331 CG PHE A 23 5.841 -3.702 4.346 1.00 0.00 C ATOM 332 CD1 PHE A 23 7.193 -3.417 4.230 1.00 0.00 C ATOM 333 CD2 PHE A 23 4.980 -2.693 4.746 1.00 0.00 C ATOM 334 CE1 PHE A 23 7.675 -2.152 4.511 1.00 0.00 C ATOM 335 CE2 PHE A 23 5.456 -1.426 5.029 1.00 0.00 C ATOM 336 CZ PHE A 23 6.805 -1.156 4.910 1.00 0.00 C ATOM 0 H PHE A 23 4.266 -4.817 6.367 1.00 0.00 H new ATOM 0 HA PHE A 23 5.334 -7.076 4.828 1.00 0.00 H new ATOM 0 HB2 PHE A 23 5.840 -5.468 3.165 1.00 0.00 H new ATOM 0 HB3 PHE A 23 4.264 -5.007 3.778 1.00 0.00 H new ATOM 0 HD1 PHE A 23 7.877 -4.192 3.917 1.00 0.00 H new ATOM 0 HD2 PHE A 23 3.924 -2.899 4.838 1.00 0.00 H new ATOM 0 HE1 PHE A 23 8.731 -1.943 4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.774 -0.649 5.342 1.00 0.00 H new ATOM 0 HZ PHE A 23 7.180 -0.167 5.129 1.00 0.00 H new ATOM 346 N GLN A 24 7.764 -6.871 5.353 1.00 0.00 N ATOM 347 CA GLN A 24 9.143 -6.884 5.827 1.00 0.00 C ATOM 348 C GLN A 24 10.056 -6.130 4.866 1.00 0.00 C ATOM 349 O GLN A 24 9.600 -5.580 3.864 1.00 0.00 O ATOM 350 CB GLN A 24 9.634 -8.324 5.992 1.00 0.00 C ATOM 351 CG GLN A 24 8.911 -9.093 7.086 1.00 0.00 C ATOM 352 CD GLN A 24 9.103 -8.476 8.457 1.00 0.00 C ATOM 353 OE1 GLN A 24 9.944 -7.595 8.642 1.00 0.00 O ATOM 354 NE2 GLN A 24 8.325 -8.936 9.429 1.00 0.00 N ATOM 0 H GLN A 24 7.540 -7.608 4.685 1.00 0.00 H new ATOM 0 HA GLN A 24 9.173 -6.384 6.795 1.00 0.00 H new ATOM 0 HB2 GLN A 24 9.510 -8.852 5.046 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.701 -8.312 6.213 1.00 0.00 H new ATOM 0 HG2 GLN A 24 7.846 -9.132 6.855 1.00 0.00 H new ATOM 0 HG3 GLN A 24 9.271 -10.122 7.101 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.641 -9.667 9.232 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.411 -8.559 10.373 1.00 0.00 H new ATOM 363 N ARG A 25 11.348 -6.109 5.179 1.00 0.00 N ATOM 364 CA ARG A 25 12.324 -5.421 4.344 1.00 0.00 C ATOM 365 C ARG A 25 13.450 -6.366 3.933 1.00 0.00 C ATOM 366 O ARG A 25 13.622 -7.434 4.518 1.00 0.00 O ATOM 367 CB ARG A 25 12.903 -4.215 5.088 1.00 0.00 C ATOM 368 CG ARG A 25 11.845 -3.261 5.616 1.00 0.00 C ATOM 369 CD ARG A 25 12.324 -1.818 5.572 1.00 0.00 C ATOM 370 NE ARG A 25 12.707 -1.329 6.894 1.00 0.00 N ATOM 371 CZ ARG A 25 13.872 -1.602 7.470 1.00 0.00 C ATOM 372 NH1 ARG A 25 14.763 -2.358 6.845 1.00 0.00 N ATOM 373 NH2 ARG A 25 14.147 -1.120 8.675 1.00 0.00 N ATOM 0 H ARG A 25 11.742 -6.560 6.004 1.00 0.00 H new ATOM 0 HA ARG A 25 11.816 -5.075 3.444 1.00 0.00 H new ATOM 0 HB2 ARG A 25 13.509 -4.570 5.922 1.00 0.00 H new ATOM 0 HB3 ARG A 25 13.569 -3.671 4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 25 10.935 -3.362 5.024 1.00 0.00 H new ATOM 0 HG3 ARG A 25 11.590 -3.530 6.641 1.00 0.00 H new ATOM 0 HD2 ARG A 25 13.175 -1.739 4.895 1.00 0.00 H new ATOM 0 HD3 ARG A 25 11.534 -1.186 5.166 1.00 0.00 H new ATOM 0 HE ARG A 25 12.043 -0.746 7.403 1.00 0.00 H new ATOM 0 HH11 ARG A 25 14.555 -2.732 5.919 1.00 0.00 H new ATOM 0 HH12 ARG A 25 15.657 -2.566 7.290 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.463 -0.539 9.160 1.00 0.00 H new ATOM 0 HH22 ARG A 25 15.042 -1.330 9.116 1.00 0.00 H new ATOM 387 N GLY A 26 14.213 -5.963 2.920 1.00 0.00 N ATOM 388 CA GLY A 26 15.311 -6.786 2.448 1.00 0.00 C ATOM 389 C GLY A 26 16.277 -6.015 1.569 1.00 0.00 C ATOM 390 O GLY A 26 16.824 -4.993 1.984 1.00 0.00 O ATOM 0 H GLY A 26 14.090 -5.083 2.419 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.849 -7.194 3.304 1.00 0.00 H new ATOM 0 HA3 GLY A 26 14.912 -7.633 1.889 1.00 0.00 H new ATOM 394 N LYS A 27 16.488 -6.504 0.352 1.00 0.00 N ATOM 395 CA LYS A 27 17.394 -5.856 -0.588 1.00 0.00 C ATOM 396 C LYS A 27 16.616 -5.111 -1.668 1.00 0.00 C ATOM 397 O LYS A 27 17.069 -4.087 -2.176 1.00 0.00 O ATOM 398 CB LYS A 27 18.320 -6.890 -1.232 1.00 0.00 C ATOM 399 CG LYS A 27 17.581 -7.976 -1.995 1.00 0.00 C ATOM 400 CD LYS A 27 18.541 -8.997 -2.581 1.00 0.00 C ATOM 401 CE LYS A 27 17.797 -10.129 -3.272 1.00 0.00 C ATOM 402 NZ LYS A 27 17.944 -11.417 -2.541 1.00 0.00 N ATOM 0 H LYS A 27 16.043 -7.349 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 27 17.995 -5.134 -0.035 1.00 0.00 H new ATOM 0 HB2 LYS A 27 19.003 -6.380 -1.912 1.00 0.00 H new ATOM 0 HB3 LYS A 27 18.929 -7.353 -0.456 1.00 0.00 H new ATOM 0 HG2 LYS A 27 16.878 -8.476 -1.329 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.995 -7.525 -2.796 1.00 0.00 H new ATOM 0 HD2 LYS A 27 19.204 -8.507 -3.294 1.00 0.00 H new ATOM 0 HD3 LYS A 27 19.170 -9.404 -1.789 1.00 0.00 H new ATOM 0 HE2 LYS A 27 16.740 -9.874 -3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 27 18.173 -10.243 -4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.423 -12.163 -3.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.951 -11.673 -2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 17.562 -11.316 -1.579 1.00 0.00 H new ATOM 416 N ASN A 28 15.443 -5.634 -2.012 1.00 0.00 N ATOM 417 CA ASN A 28 14.602 -5.017 -3.032 1.00 0.00 C ATOM 418 C ASN A 28 13.189 -4.787 -2.504 1.00 0.00 C ATOM 419 O ASN A 28 12.215 -4.858 -3.256 1.00 0.00 O ATOM 420 CB ASN A 28 14.555 -5.895 -4.283 1.00 0.00 C ATOM 421 CG ASN A 28 15.935 -6.163 -4.854 1.00 0.00 C ATOM 422 OD1 ASN A 28 16.871 -5.397 -4.630 1.00 0.00 O ATOM 423 ND2 ASN A 28 16.064 -7.256 -5.597 1.00 0.00 N ATOM 0 H ASN A 28 15.054 -6.482 -1.600 1.00 0.00 H new ATOM 0 HA ASN A 28 15.036 -4.051 -3.291 1.00 0.00 H new ATOM 0 HB2 ASN A 28 14.075 -6.843 -4.040 1.00 0.00 H new ATOM 0 HB3 ASN A 28 13.939 -5.410 -5.041 1.00 0.00 H new ATOM 0 HD21 ASN A 28 16.968 -7.489 -6.009 1.00 0.00 H new ATOM 0 HD22 ASN A 28 15.259 -7.862 -5.756 1.00 0.00 H new ATOM 430 N LEU A 29 13.084 -4.510 -1.209 1.00 0.00 N ATOM 431 CA LEU A 29 11.790 -4.269 -0.580 1.00 0.00 C ATOM 432 C LEU A 29 11.038 -3.151 -1.295 1.00 0.00 C ATOM 433 O LEU A 29 9.934 -3.356 -1.800 1.00 0.00 O ATOM 434 CB LEU A 29 11.977 -3.910 0.895 1.00 0.00 C ATOM 435 CG LEU A 29 10.732 -3.408 1.626 1.00 0.00 C ATOM 436 CD1 LEU A 29 10.461 -1.952 1.281 1.00 0.00 C ATOM 437 CD2 LEU A 29 9.527 -4.272 1.284 1.00 0.00 C ATOM 0 H LEU A 29 13.880 -4.447 -0.574 1.00 0.00 H new ATOM 0 HA LEU A 29 11.202 -5.184 -0.653 1.00 0.00 H new ATOM 0 HB2 LEU A 29 12.351 -4.790 1.418 1.00 0.00 H new ATOM 0 HB3 LEU A 29 12.750 -3.144 0.967 1.00 0.00 H new ATOM 0 HG LEU A 29 10.912 -3.479 2.699 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.571 -1.612 1.811 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.315 -1.343 1.578 1.00 0.00 H new ATOM 0 HD13 LEU A 29 10.303 -1.856 0.207 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.650 -3.900 1.814 1.00 0.00 H new ATOM 0 HD22 LEU A 29 9.345 -4.234 0.210 1.00 0.00 H new ATOM 0 HD23 LEU A 29 9.721 -5.302 1.583 1.00 0.00 H new ATOM 449 N ARG A 30 11.644 -1.968 -1.337 1.00 0.00 N ATOM 450 CA ARG A 30 11.032 -0.819 -1.991 1.00 0.00 C ATOM 451 C ARG A 30 10.317 -1.239 -3.272 1.00 0.00 C ATOM 452 O ARG A 30 9.361 -0.593 -3.703 1.00 0.00 O ATOM 453 CB ARG A 30 12.091 0.238 -2.310 1.00 0.00 C ATOM 454 CG ARG A 30 11.547 1.435 -3.070 1.00 0.00 C ATOM 455 CD ARG A 30 12.582 2.545 -3.177 1.00 0.00 C ATOM 456 NE ARG A 30 13.643 2.401 -2.183 1.00 0.00 N ATOM 457 CZ ARG A 30 14.714 1.635 -2.358 1.00 0.00 C ATOM 458 NH1 ARG A 30 14.867 0.949 -3.482 1.00 0.00 N ATOM 459 NH2 ARG A 30 15.637 1.556 -1.407 1.00 0.00 N ATOM 0 H ARG A 30 12.558 -1.781 -0.925 1.00 0.00 H new ATOM 0 HA ARG A 30 10.297 -0.393 -1.307 1.00 0.00 H new ATOM 0 HB2 ARG A 30 12.540 0.583 -1.379 1.00 0.00 H new ATOM 0 HB3 ARG A 30 12.887 -0.222 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 30 11.241 1.124 -4.069 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.657 1.813 -2.567 1.00 0.00 H new ATOM 0 HD2 ARG A 30 13.018 2.539 -4.176 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.093 3.511 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 30 13.557 2.917 -1.307 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.161 1.008 -4.216 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.691 0.362 -3.613 1.00 0.00 H new ATOM 0 HH21 ARG A 30 15.524 2.084 -0.541 1.00 0.00 H new ATOM 0 HH22 ARG A 30 16.459 0.968 -1.542 1.00 0.00 H new ATOM 473 N TYR A 31 10.786 -2.326 -3.876 1.00 0.00 N ATOM 474 CA TYR A 31 10.193 -2.831 -5.109 1.00 0.00 C ATOM 475 C TYR A 31 9.046 -3.791 -4.808 1.00 0.00 C ATOM 476 O TYR A 31 8.011 -3.767 -5.474 1.00 0.00 O ATOM 477 CB TYR A 31 11.253 -3.534 -5.958 1.00 0.00 C ATOM 478 CG TYR A 31 10.673 -4.428 -7.031 1.00 0.00 C ATOM 479 CD1 TYR A 31 10.311 -5.740 -6.750 1.00 0.00 C ATOM 480 CD2 TYR A 31 10.487 -3.960 -8.327 1.00 0.00 C ATOM 481 CE1 TYR A 31 9.782 -6.560 -7.728 1.00 0.00 C ATOM 482 CE2 TYR A 31 9.958 -4.773 -9.310 1.00 0.00 C ATOM 483 CZ TYR A 31 9.607 -6.073 -9.005 1.00 0.00 C ATOM 484 OH TYR A 31 9.079 -6.886 -9.982 1.00 0.00 O ATOM 0 H TYR A 31 11.575 -2.874 -3.532 1.00 0.00 H new ATOM 0 HA TYR A 31 9.795 -1.983 -5.666 1.00 0.00 H new ATOM 0 HB2 TYR A 31 11.888 -2.782 -6.427 1.00 0.00 H new ATOM 0 HB3 TYR A 31 11.892 -4.130 -5.306 1.00 0.00 H new ATOM 0 HD1 TYR A 31 10.446 -6.125 -5.750 1.00 0.00 H new ATOM 0 HD2 TYR A 31 10.761 -2.944 -8.569 1.00 0.00 H new ATOM 0 HE1 TYR A 31 9.507 -7.578 -7.493 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.820 -4.394 -10.312 1.00 0.00 H new ATOM 0 HH TYR A 31 9.021 -6.389 -10.825 1.00 0.00 H new ATOM 494 N GLN A 32 9.239 -4.636 -3.800 1.00 0.00 N ATOM 495 CA GLN A 32 8.222 -5.605 -3.410 1.00 0.00 C ATOM 496 C GLN A 32 6.903 -4.910 -3.090 1.00 0.00 C ATOM 497 O GLN A 32 5.826 -5.457 -3.332 1.00 0.00 O ATOM 498 CB GLN A 32 8.694 -6.413 -2.200 1.00 0.00 C ATOM 499 CG GLN A 32 10.018 -7.126 -2.424 1.00 0.00 C ATOM 500 CD GLN A 32 9.876 -8.635 -2.419 1.00 0.00 C ATOM 501 OE1 GLN A 32 9.157 -9.200 -1.593 1.00 0.00 O ATOM 502 NE2 GLN A 32 10.562 -9.298 -3.342 1.00 0.00 N ATOM 0 H GLN A 32 10.090 -4.669 -3.239 1.00 0.00 H new ATOM 0 HA GLN A 32 8.061 -6.282 -4.249 1.00 0.00 H new ATOM 0 HB2 GLN A 32 8.790 -5.746 -1.343 1.00 0.00 H new ATOM 0 HB3 GLN A 32 7.932 -7.150 -1.946 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.441 -6.808 -3.377 1.00 0.00 H new ATOM 0 HG3 GLN A 32 10.722 -6.829 -1.647 1.00 0.00 H new ATOM 0 HE21 GLN A 32 11.145 -8.790 -4.007 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.506 -10.315 -3.386 1.00 0.00 H new ATOM 511 N LEU A 33 6.993 -3.702 -2.545 1.00 0.00 N ATOM 512 CA LEU A 33 5.806 -2.932 -2.191 1.00 0.00 C ATOM 513 C LEU A 33 5.287 -2.147 -3.392 1.00 0.00 C ATOM 514 O LEU A 33 4.081 -2.089 -3.635 1.00 0.00 O ATOM 515 CB LEU A 33 6.120 -1.974 -1.039 1.00 0.00 C ATOM 516 CG LEU A 33 6.520 -2.625 0.285 1.00 0.00 C ATOM 517 CD1 LEU A 33 7.138 -1.598 1.220 1.00 0.00 C ATOM 518 CD2 LEU A 33 5.315 -3.288 0.938 1.00 0.00 C ATOM 0 H LEU A 33 7.876 -3.235 -2.339 1.00 0.00 H new ATOM 0 HA LEU A 33 5.032 -3.631 -1.875 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.927 -1.312 -1.353 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.244 -1.349 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 33 7.266 -3.393 0.080 1.00 0.00 H new ATOM 0 HD11 LEU A 33 7.416 -2.080 2.157 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.026 -1.170 0.755 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.416 -0.807 1.420 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.618 -3.746 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.547 -2.539 1.130 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.916 -4.054 0.273 1.00 0.00 H new ATOM 530 N LEU A 34 6.205 -1.548 -4.142 1.00 0.00 N ATOM 531 CA LEU A 34 5.842 -0.768 -5.319 1.00 0.00 C ATOM 532 C LEU A 34 5.314 -1.672 -6.429 1.00 0.00 C ATOM 533 O LEU A 34 4.597 -1.221 -7.322 1.00 0.00 O ATOM 534 CB LEU A 34 7.049 0.025 -5.823 1.00 0.00 C ATOM 535 CG LEU A 34 7.526 1.164 -4.922 1.00 0.00 C ATOM 536 CD1 LEU A 34 8.907 1.638 -5.349 1.00 0.00 C ATOM 537 CD2 LEU A 34 6.534 2.317 -4.947 1.00 0.00 C ATOM 0 H LEU A 34 7.207 -1.588 -3.956 1.00 0.00 H new ATOM 0 HA LEU A 34 5.052 -0.073 -5.034 1.00 0.00 H new ATOM 0 HB2 LEU A 34 7.878 -0.667 -5.970 1.00 0.00 H new ATOM 0 HB3 LEU A 34 6.804 0.440 -6.801 1.00 0.00 H new ATOM 0 HG LEU A 34 7.591 0.790 -3.900 1.00 0.00 H new ATOM 0 HD11 LEU A 34 9.231 2.449 -4.697 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.614 0.811 -5.278 1.00 0.00 H new ATOM 0 HD13 LEU A 34 8.867 1.994 -6.378 1.00 0.00 H new ATOM 0 HD21 LEU A 34 6.891 3.118 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 34 6.436 2.691 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.563 1.970 -4.593 1.00 0.00 H new ATOM 549 N GLN A 35 5.672 -2.951 -6.363 1.00 0.00 N ATOM 550 CA GLN A 35 5.232 -3.919 -7.361 1.00 0.00 C ATOM 551 C GLN A 35 3.763 -4.276 -7.163 1.00 0.00 C ATOM 552 O GLN A 35 3.143 -4.902 -8.025 1.00 0.00 O ATOM 553 CB GLN A 35 6.091 -5.182 -7.289 1.00 0.00 C ATOM 554 CG GLN A 35 5.710 -6.112 -6.148 1.00 0.00 C ATOM 555 CD GLN A 35 4.991 -7.359 -6.625 1.00 0.00 C ATOM 556 OE1 GLN A 35 3.978 -7.762 -6.053 1.00 0.00 O ATOM 557 NE2 GLN A 35 5.511 -7.975 -7.680 1.00 0.00 N ATOM 0 H GLN A 35 6.265 -3.340 -5.630 1.00 0.00 H new ATOM 0 HA GLN A 35 5.346 -3.466 -8.346 1.00 0.00 H new ATOM 0 HB2 GLN A 35 6.007 -5.723 -8.231 1.00 0.00 H new ATOM 0 HB3 GLN A 35 7.137 -4.895 -7.179 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.610 -6.402 -5.605 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.072 -5.576 -5.445 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.352 -7.606 -8.123 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.069 -8.818 -8.048 1.00 0.00 H new ATOM 566 N LEU A 36 3.209 -3.875 -6.025 1.00 0.00 N ATOM 567 CA LEU A 36 1.812 -4.153 -5.713 1.00 0.00 C ATOM 568 C LEU A 36 0.896 -3.104 -6.337 1.00 0.00 C ATOM 569 O LEU A 36 -0.311 -3.313 -6.459 1.00 0.00 O ATOM 570 CB LEU A 36 1.604 -4.190 -4.198 1.00 0.00 C ATOM 571 CG LEU A 36 2.466 -5.191 -3.427 1.00 0.00 C ATOM 572 CD1 LEU A 36 2.384 -4.925 -1.932 1.00 0.00 C ATOM 573 CD2 LEU A 36 2.036 -6.617 -3.741 1.00 0.00 C ATOM 0 H LEU A 36 3.707 -3.355 -5.302 1.00 0.00 H new ATOM 0 HA LEU A 36 1.559 -5.127 -6.132 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.796 -3.193 -3.800 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.556 -4.415 -4.001 1.00 0.00 H new ATOM 0 HG LEU A 36 3.502 -5.067 -3.741 1.00 0.00 H new ATOM 0 HD11 LEU A 36 3.003 -5.647 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.740 -3.916 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.350 -5.021 -1.602 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.660 -7.316 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.993 -6.754 -3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.147 -6.804 -4.809 1.00 0.00 H new ATOM 585 N VAL A 37 1.478 -1.977 -6.732 1.00 0.00 N ATOM 586 CA VAL A 37 0.716 -0.897 -7.347 1.00 0.00 C ATOM 587 C VAL A 37 1.273 -0.545 -8.723 1.00 0.00 C ATOM 588 O VAL A 37 0.569 0.015 -9.562 1.00 0.00 O ATOM 589 CB VAL A 37 0.719 0.365 -6.465 1.00 0.00 C ATOM 590 CG1 VAL A 37 0.007 0.099 -5.149 1.00 0.00 C ATOM 591 CG2 VAL A 37 2.144 0.842 -6.224 1.00 0.00 C ATOM 0 H VAL A 37 2.476 -1.788 -6.637 1.00 0.00 H new ATOM 0 HA VAL A 37 -0.309 -1.253 -7.454 1.00 0.00 H new ATOM 0 HB VAL A 37 0.179 1.154 -6.988 1.00 0.00 H new ATOM 0 HG11 VAL A 37 0.020 1.003 -4.539 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -1.025 -0.192 -5.346 1.00 0.00 H new ATOM 0 HG13 VAL A 37 0.515 -0.705 -4.616 1.00 0.00 H new ATOM 0 HG21 VAL A 37 2.128 1.735 -5.599 1.00 0.00 H new ATOM 0 HG22 VAL A 37 2.710 0.058 -5.722 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.616 1.076 -7.178 1.00 0.00 H new ATOM 601 N GLU A 38 2.540 -0.878 -8.945 1.00 0.00 N ATOM 602 CA GLU A 38 3.191 -0.597 -10.219 1.00 0.00 C ATOM 603 C GLU A 38 2.299 -1.004 -11.388 1.00 0.00 C ATOM 604 O GLU A 38 1.903 -0.182 -12.214 1.00 0.00 O ATOM 605 CB GLU A 38 4.531 -1.331 -10.306 1.00 0.00 C ATOM 606 CG GLU A 38 5.730 -0.403 -10.399 1.00 0.00 C ATOM 607 CD GLU A 38 6.470 -0.535 -11.715 1.00 0.00 C ATOM 608 OE1 GLU A 38 6.669 -1.681 -12.170 1.00 0.00 O ATOM 609 OE2 GLU A 38 6.850 0.507 -12.290 1.00 0.00 O ATOM 0 H GLU A 38 3.136 -1.342 -8.260 1.00 0.00 H new ATOM 0 HA GLU A 38 3.369 0.477 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 38 4.643 -1.969 -9.429 1.00 0.00 H new ATOM 0 HB3 GLU A 38 4.521 -1.986 -11.177 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.397 0.628 -10.276 1.00 0.00 H new ATOM 0 HG3 GLU A 38 6.415 -0.617 -9.579 1.00 0.00 H new ATOM 616 N PRO A 39 1.974 -2.303 -11.459 1.00 0.00 N ATOM 617 CA PRO A 39 1.125 -2.850 -12.522 1.00 0.00 C ATOM 618 C PRO A 39 -0.325 -2.394 -12.398 1.00 0.00 C ATOM 619 O PRO A 39 -1.180 -2.785 -13.193 1.00 0.00 O ATOM 620 CB PRO A 39 1.229 -4.363 -12.316 1.00 0.00 C ATOM 621 CG PRO A 39 1.564 -4.527 -10.874 1.00 0.00 C ATOM 622 CD PRO A 39 2.411 -3.339 -10.507 1.00 0.00 C ATOM 0 HA PRO A 39 1.444 -2.518 -13.510 1.00 0.00 H new ATOM 0 HB2 PRO A 39 0.292 -4.862 -12.564 1.00 0.00 H new ATOM 0 HB3 PRO A 39 1.999 -4.797 -12.953 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.660 -4.565 -10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 39 2.103 -5.459 -10.702 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.246 -3.031 -9.474 1.00 0.00 H new ATOM 0 HD3 PRO A 39 3.474 -3.556 -10.609 1.00 0.00 H new ATOM 630 N PHE A 40 -0.595 -1.564 -11.396 1.00 0.00 N ATOM 631 CA PHE A 40 -1.943 -1.054 -11.168 1.00 0.00 C ATOM 632 C PHE A 40 -2.059 0.399 -11.621 1.00 0.00 C ATOM 633 O PHE A 40 -3.160 0.924 -11.779 1.00 0.00 O ATOM 634 CB PHE A 40 -2.310 -1.169 -9.687 1.00 0.00 C ATOM 635 CG PHE A 40 -2.487 -2.586 -9.222 1.00 0.00 C ATOM 636 CD1 PHE A 40 -1.401 -3.324 -8.777 1.00 0.00 C ATOM 637 CD2 PHE A 40 -3.738 -3.181 -9.229 1.00 0.00 C ATOM 638 CE1 PHE A 40 -1.561 -4.629 -8.349 1.00 0.00 C ATOM 639 CE2 PHE A 40 -3.904 -4.484 -8.800 1.00 0.00 C ATOM 640 CZ PHE A 40 -2.814 -5.209 -8.361 1.00 0.00 C ATOM 0 H PHE A 40 0.101 -1.230 -10.729 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.637 -1.656 -11.755 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.532 -0.694 -9.090 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -3.233 -0.617 -9.506 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -0.419 -2.875 -8.765 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -4.594 -2.620 -9.574 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -0.707 -5.194 -8.006 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -4.885 -4.935 -8.808 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.941 -6.228 -8.027 1.00 0.00 H new ATOM 650 N GLY A 41 -0.914 1.042 -11.828 1.00 0.00 N ATOM 651 CA GLY A 41 -0.908 2.427 -12.260 1.00 0.00 C ATOM 652 C GLY A 41 0.482 3.029 -12.257 1.00 0.00 C ATOM 653 O GLY A 41 1.471 2.328 -12.474 1.00 0.00 O ATOM 0 H GLY A 41 0.010 0.628 -11.704 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.327 2.493 -13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.555 3.011 -11.606 1.00 0.00 H new ATOM 657 N VAL A 42 0.560 4.334 -12.014 1.00 0.00 N ATOM 658 CA VAL A 42 1.840 5.032 -11.984 1.00 0.00 C ATOM 659 C VAL A 42 2.234 5.398 -10.557 1.00 0.00 C ATOM 660 O VAL A 42 1.376 5.671 -9.717 1.00 0.00 O ATOM 661 CB VAL A 42 1.802 6.311 -12.839 1.00 0.00 C ATOM 662 CG1 VAL A 42 0.463 7.017 -12.684 1.00 0.00 C ATOM 663 CG2 VAL A 42 2.949 7.237 -12.465 1.00 0.00 C ATOM 0 H VAL A 42 -0.249 4.929 -11.835 1.00 0.00 H new ATOM 0 HA VAL A 42 2.582 4.349 -12.398 1.00 0.00 H new ATOM 0 HB VAL A 42 1.919 6.031 -13.886 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.454 7.919 -13.296 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -0.338 6.352 -13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.312 7.286 -11.639 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.906 8.136 -13.080 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.866 7.512 -11.414 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.898 6.727 -12.633 1.00 0.00 H new ATOM 673 N ILE A 43 3.535 5.404 -10.292 1.00 0.00 N ATOM 674 CA ILE A 43 4.042 5.740 -8.967 1.00 0.00 C ATOM 675 C ILE A 43 4.308 7.236 -8.843 1.00 0.00 C ATOM 676 O ILE A 43 5.266 7.756 -9.414 1.00 0.00 O ATOM 677 CB ILE A 43 5.339 4.971 -8.649 1.00 0.00 C ATOM 678 CG1 ILE A 43 5.161 3.481 -8.947 1.00 0.00 C ATOM 679 CG2 ILE A 43 5.738 5.183 -7.196 1.00 0.00 C ATOM 680 CD1 ILE A 43 4.239 2.777 -7.976 1.00 0.00 C ATOM 0 H ILE A 43 4.257 5.180 -10.976 1.00 0.00 H new ATOM 0 HA ILE A 43 3.272 5.450 -8.252 1.00 0.00 H new ATOM 0 HB ILE A 43 6.137 5.356 -9.284 1.00 0.00 H new ATOM 0 HG12 ILE A 43 4.769 3.365 -9.957 1.00 0.00 H new ATOM 0 HG13 ILE A 43 6.137 2.995 -8.926 1.00 0.00 H new ATOM 0 HG21 ILE A 43 6.656 4.634 -6.987 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.902 6.245 -7.015 1.00 0.00 H new ATOM 0 HG23 ILE A 43 4.943 4.822 -6.544 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.159 1.724 -8.248 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.641 2.862 -6.966 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.252 3.237 -8.013 1.00 0.00 H new ATOM 692 N SER A 44 3.454 7.923 -8.090 1.00 0.00 N ATOM 693 CA SER A 44 3.594 9.360 -7.893 1.00 0.00 C ATOM 694 C SER A 44 4.609 9.661 -6.795 1.00 0.00 C ATOM 695 O SER A 44 5.500 10.491 -6.969 1.00 0.00 O ATOM 696 CB SER A 44 2.242 9.982 -7.536 1.00 0.00 C ATOM 697 OG SER A 44 1.721 10.727 -8.623 1.00 0.00 O ATOM 0 H SER A 44 2.658 7.507 -7.607 1.00 0.00 H new ATOM 0 HA SER A 44 3.952 9.796 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 44 1.539 9.197 -7.259 1.00 0.00 H new ATOM 0 HB3 SER A 44 2.354 10.630 -6.667 1.00 0.00 H new ATOM 0 HG SER A 44 1.048 11.359 -8.294 1.00 0.00 H new ATOM 703 N ASN A 45 4.468 8.977 -5.663 1.00 0.00 N ATOM 704 CA ASN A 45 5.373 9.171 -4.536 1.00 0.00 C ATOM 705 C ASN A 45 5.038 8.209 -3.399 1.00 0.00 C ATOM 706 O ASN A 45 3.891 8.125 -2.960 1.00 0.00 O ATOM 707 CB ASN A 45 5.297 10.615 -4.036 1.00 0.00 C ATOM 708 CG ASN A 45 6.506 11.433 -4.448 1.00 0.00 C ATOM 709 OD1 ASN A 45 7.643 11.078 -4.140 1.00 0.00 O ATOM 710 ND2 ASN A 45 6.263 12.536 -5.147 1.00 0.00 N ATOM 0 H ASN A 45 3.736 8.285 -5.503 1.00 0.00 H new ATOM 0 HA ASN A 45 6.388 8.965 -4.877 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.394 11.085 -4.426 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.214 10.617 -2.949 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.036 13.128 -5.451 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.303 12.791 -5.380 1.00 0.00 H new ATOM 717 N HIS A 46 6.048 7.486 -2.926 1.00 0.00 N ATOM 718 CA HIS A 46 5.862 6.531 -1.839 1.00 0.00 C ATOM 719 C HIS A 46 6.695 6.924 -0.623 1.00 0.00 C ATOM 720 O HIS A 46 7.607 7.745 -0.720 1.00 0.00 O ATOM 721 CB HIS A 46 6.240 5.123 -2.299 1.00 0.00 C ATOM 722 CG HIS A 46 7.715 4.921 -2.456 1.00 0.00 C ATOM 723 ND1 HIS A 46 8.493 5.675 -3.309 1.00 0.00 N ATOM 724 CD2 HIS A 46 8.557 4.042 -1.861 1.00 0.00 C ATOM 725 CE1 HIS A 46 9.748 5.269 -3.234 1.00 0.00 C ATOM 726 NE2 HIS A 46 9.814 4.280 -2.361 1.00 0.00 N ATOM 0 H HIS A 46 7.004 7.543 -3.278 1.00 0.00 H new ATOM 0 HA HIS A 46 4.810 6.541 -1.555 1.00 0.00 H new ATOM 0 HB2 HIS A 46 5.857 4.399 -1.579 1.00 0.00 H new ATOM 0 HB3 HIS A 46 5.750 4.917 -3.250 1.00 0.00 H new ATOM 0 HD1 HIS A 46 8.152 6.429 -3.905 1.00 0.00 H new ATOM 0 HD2 HIS A 46 8.290 3.294 -1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 46 10.578 5.676 -3.792 1.00 0.00 H new ATOM 734 N LEU A 47 6.376 6.331 0.522 1.00 0.00 N ATOM 735 CA LEU A 47 7.095 6.618 1.759 1.00 0.00 C ATOM 736 C LEU A 47 7.274 5.353 2.591 1.00 0.00 C ATOM 737 O LEU A 47 6.310 4.639 2.870 1.00 0.00 O ATOM 738 CB LEU A 47 6.347 7.675 2.573 1.00 0.00 C ATOM 739 CG LEU A 47 6.913 7.978 3.960 1.00 0.00 C ATOM 740 CD1 LEU A 47 6.279 9.237 4.532 1.00 0.00 C ATOM 741 CD2 LEU A 47 6.694 6.797 4.895 1.00 0.00 C ATOM 0 H LEU A 47 5.624 5.649 0.620 1.00 0.00 H new ATOM 0 HA LEU A 47 8.081 7.001 1.496 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.330 8.602 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.312 7.352 2.687 1.00 0.00 H new ATOM 0 HG LEU A 47 7.986 8.147 3.865 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.694 9.437 5.520 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.487 10.080 3.874 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.201 9.097 4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 47 7.103 7.030 5.878 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.626 6.597 4.985 1.00 0.00 H new ATOM 0 HD23 LEU A 47 7.196 5.917 4.493 1.00 0.00 H new ATOM 753 N ILE A 48 8.514 5.081 2.986 1.00 0.00 N ATOM 754 CA ILE A 48 8.818 3.904 3.789 1.00 0.00 C ATOM 755 C ILE A 48 9.621 4.278 5.031 1.00 0.00 C ATOM 756 O ILE A 48 10.820 4.548 4.950 1.00 0.00 O ATOM 757 CB ILE A 48 9.607 2.858 2.979 1.00 0.00 C ATOM 758 CG1 ILE A 48 9.174 2.886 1.511 1.00 0.00 C ATOM 759 CG2 ILE A 48 9.407 1.470 3.568 1.00 0.00 C ATOM 760 CD1 ILE A 48 9.762 1.764 0.685 1.00 0.00 C ATOM 0 H ILE A 48 9.323 5.660 2.763 1.00 0.00 H new ATOM 0 HA ILE A 48 7.863 3.474 4.091 1.00 0.00 H new ATOM 0 HB ILE A 48 10.668 3.104 3.032 1.00 0.00 H new ATOM 0 HG12 ILE A 48 8.087 2.832 1.461 1.00 0.00 H new ATOM 0 HG13 ILE A 48 9.466 3.840 1.073 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.971 0.742 2.984 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.758 1.458 4.600 1.00 0.00 H new ATOM 0 HG23 ILE A 48 8.348 1.213 3.543 1.00 0.00 H new ATOM 0 HD11 ILE A 48 9.412 1.847 -0.344 1.00 0.00 H new ATOM 0 HD12 ILE A 48 10.850 1.829 0.704 1.00 0.00 H new ATOM 0 HD13 ILE A 48 9.449 0.805 1.098 1.00 0.00 H new ATOM 772 N LEU A 49 8.953 4.290 6.179 1.00 0.00 N ATOM 773 CA LEU A 49 9.604 4.629 7.439 1.00 0.00 C ATOM 774 C LEU A 49 10.664 3.593 7.800 1.00 0.00 C ATOM 775 O LEU A 49 10.439 2.391 7.673 1.00 0.00 O ATOM 776 CB LEU A 49 8.568 4.727 8.561 1.00 0.00 C ATOM 777 CG LEU A 49 7.342 5.594 8.268 1.00 0.00 C ATOM 778 CD1 LEU A 49 6.221 5.280 9.247 1.00 0.00 C ATOM 779 CD2 LEU A 49 7.706 7.070 8.326 1.00 0.00 C ATOM 0 H LEU A 49 7.961 4.069 6.263 1.00 0.00 H new ATOM 0 HA LEU A 49 10.093 5.596 7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.227 3.720 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.061 5.119 9.451 1.00 0.00 H new ATOM 0 HG LEU A 49 6.992 5.367 7.261 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.357 5.906 9.024 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.942 4.230 9.156 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.560 5.478 10.264 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.822 7.671 8.115 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.082 7.313 9.320 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.476 7.284 7.585 1.00 0.00 H new ATOM 791 N ASN A 50 11.819 4.070 8.253 1.00 0.00 N ATOM 792 CA ASN A 50 12.913 3.185 8.635 1.00 0.00 C ATOM 793 C ASN A 50 12.858 2.862 10.126 1.00 0.00 C ATOM 794 O ASN A 50 13.890 2.738 10.784 1.00 0.00 O ATOM 795 CB ASN A 50 14.259 3.827 8.291 1.00 0.00 C ATOM 796 CG ASN A 50 14.275 4.427 6.899 1.00 0.00 C ATOM 797 OD1 ASN A 50 13.629 5.443 6.642 1.00 0.00 O ATOM 798 ND2 ASN A 50 15.015 3.799 5.993 1.00 0.00 N ATOM 0 H ASN A 50 12.021 5.064 8.364 1.00 0.00 H new ATOM 0 HA ASN A 50 12.807 2.255 8.076 1.00 0.00 H new ATOM 0 HB2 ASN A 50 14.485 4.604 9.021 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.046 3.077 8.370 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.065 4.156 5.039 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.534 2.960 6.251 1.00 0.00 H new ATOM 805 N LYS A 51 11.645 2.727 10.650 1.00 0.00 N ATOM 806 CA LYS A 51 11.451 2.416 12.062 1.00 0.00 C ATOM 807 C LYS A 51 10.626 1.144 12.231 1.00 0.00 C ATOM 808 O LYS A 51 10.983 0.262 13.013 1.00 0.00 O ATOM 809 CB LYS A 51 10.761 3.582 12.773 1.00 0.00 C ATOM 810 CG LYS A 51 11.722 4.656 13.251 1.00 0.00 C ATOM 811 CD LYS A 51 11.416 5.082 14.677 1.00 0.00 C ATOM 812 CE LYS A 51 12.453 4.546 15.654 1.00 0.00 C ATOM 813 NZ LYS A 51 13.439 5.591 16.045 1.00 0.00 N ATOM 0 H LYS A 51 10.781 2.828 10.118 1.00 0.00 H new ATOM 0 HA LYS A 51 12.431 2.255 12.510 1.00 0.00 H new ATOM 0 HB2 LYS A 51 10.035 4.031 12.096 1.00 0.00 H new ATOM 0 HB3 LYS A 51 10.204 3.198 13.628 1.00 0.00 H new ATOM 0 HG2 LYS A 51 12.744 4.283 13.193 1.00 0.00 H new ATOM 0 HG3 LYS A 51 11.660 5.521 12.591 1.00 0.00 H new ATOM 0 HD2 LYS A 51 11.388 6.170 14.735 1.00 0.00 H new ATOM 0 HD3 LYS A 51 10.427 4.722 14.961 1.00 0.00 H new ATOM 0 HE2 LYS A 51 11.951 4.168 16.545 1.00 0.00 H new ATOM 0 HE3 LYS A 51 12.977 3.704 15.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 14.128 5.186 16.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 13.936 5.934 15.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 12.943 6.384 16.500 1.00 0.00 H new ATOM 827 N ILE A 52 9.525 1.055 11.493 1.00 0.00 N ATOM 828 CA ILE A 52 8.652 -0.110 11.560 1.00 0.00 C ATOM 829 C ILE A 52 8.303 -0.616 10.164 1.00 0.00 C ATOM 830 O ILE A 52 8.922 -0.223 9.178 1.00 0.00 O ATOM 831 CB ILE A 52 7.350 0.205 12.321 1.00 0.00 C ATOM 832 CG1 ILE A 52 6.394 1.001 11.430 1.00 0.00 C ATOM 833 CG2 ILE A 52 7.655 0.973 13.598 1.00 0.00 C ATOM 834 CD1 ILE A 52 6.910 2.376 11.065 1.00 0.00 C ATOM 0 H ILE A 52 9.216 1.776 10.841 1.00 0.00 H new ATOM 0 HA ILE A 52 9.199 -0.884 12.098 1.00 0.00 H new ATOM 0 HB ILE A 52 6.868 -0.734 12.592 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.208 0.437 10.516 1.00 0.00 H new ATOM 0 HG13 ILE A 52 5.437 1.105 11.940 1.00 0.00 H new ATOM 0 HG21 ILE A 52 6.725 1.188 14.124 1.00 0.00 H new ATOM 0 HG22 ILE A 52 8.303 0.374 14.237 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.156 1.909 13.349 1.00 0.00 H new ATOM 0 HD11 ILE A 52 6.181 2.882 10.433 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.069 2.958 11.973 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.853 2.280 10.526 1.00 0.00 H new ATOM 846 N ASN A 53 7.306 -1.491 10.091 1.00 0.00 N ATOM 847 CA ASN A 53 6.872 -2.052 8.817 1.00 0.00 C ATOM 848 C ASN A 53 5.652 -1.308 8.283 1.00 0.00 C ATOM 849 O ASN A 53 4.659 -1.923 7.895 1.00 0.00 O ATOM 850 CB ASN A 53 6.549 -3.539 8.973 1.00 0.00 C ATOM 851 CG ASN A 53 7.793 -4.384 9.168 1.00 0.00 C ATOM 852 OD1 ASN A 53 8.800 -4.191 8.487 1.00 0.00 O ATOM 853 ND2 ASN A 53 7.728 -5.326 10.102 1.00 0.00 N ATOM 0 H ASN A 53 6.783 -1.827 10.900 1.00 0.00 H new ATOM 0 HA ASN A 53 7.687 -1.938 8.102 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.883 -3.676 9.825 1.00 0.00 H new ATOM 0 HB3 ASN A 53 6.012 -3.886 8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 53 8.534 -5.925 10.279 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.872 -5.450 10.643 1.00 0.00 H new ATOM 860 N GLU A 54 5.735 0.018 8.264 1.00 0.00 N ATOM 861 CA GLU A 54 4.637 0.846 7.777 1.00 0.00 C ATOM 862 C GLU A 54 5.071 1.668 6.568 1.00 0.00 C ATOM 863 O GLU A 54 6.098 2.345 6.599 1.00 0.00 O ATOM 864 CB GLU A 54 4.138 1.775 8.886 1.00 0.00 C ATOM 865 CG GLU A 54 3.109 1.133 9.801 1.00 0.00 C ATOM 866 CD GLU A 54 1.913 2.030 10.056 1.00 0.00 C ATOM 867 OE1 GLU A 54 2.034 3.253 9.837 1.00 0.00 O ATOM 868 OE2 GLU A 54 0.858 1.509 10.474 1.00 0.00 O ATOM 0 H GLU A 54 6.551 0.542 8.580 1.00 0.00 H new ATOM 0 HA GLU A 54 3.825 0.185 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 54 4.989 2.103 9.484 1.00 0.00 H new ATOM 0 HB3 GLU A 54 3.703 2.666 8.434 1.00 0.00 H new ATOM 0 HG2 GLU A 54 2.768 0.197 9.358 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.580 0.883 10.752 1.00 0.00 H new ATOM 875 N ALA A 55 4.280 1.604 5.501 1.00 0.00 N ATOM 876 CA ALA A 55 4.580 2.342 4.281 1.00 0.00 C ATOM 877 C ALA A 55 3.307 2.879 3.638 1.00 0.00 C ATOM 878 O ALA A 55 2.206 2.407 3.924 1.00 0.00 O ATOM 879 CB ALA A 55 5.337 1.457 3.301 1.00 0.00 C ATOM 0 H ALA A 55 3.426 1.048 5.458 1.00 0.00 H new ATOM 0 HA ALA A 55 5.209 3.192 4.545 1.00 0.00 H new ATOM 0 HB1 ALA A 55 5.554 2.021 2.394 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.271 1.127 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 55 4.728 0.588 3.050 1.00 0.00 H new ATOM 885 N PHE A 56 3.463 3.870 2.765 1.00 0.00 N ATOM 886 CA PHE A 56 2.325 4.472 2.081 1.00 0.00 C ATOM 887 C PHE A 56 2.711 4.922 0.675 1.00 0.00 C ATOM 888 O PHE A 56 3.561 5.796 0.503 1.00 0.00 O ATOM 889 CB PHE A 56 1.794 5.663 2.882 1.00 0.00 C ATOM 890 CG PHE A 56 1.743 5.414 4.363 1.00 0.00 C ATOM 891 CD1 PHE A 56 0.647 4.789 4.936 1.00 0.00 C ATOM 892 CD2 PHE A 56 2.790 5.806 5.181 1.00 0.00 C ATOM 893 CE1 PHE A 56 0.598 4.560 6.298 1.00 0.00 C ATOM 894 CE2 PHE A 56 2.746 5.579 6.544 1.00 0.00 C ATOM 895 CZ PHE A 56 1.649 4.954 7.103 1.00 0.00 C ATOM 0 H PHE A 56 4.366 4.272 2.515 1.00 0.00 H new ATOM 0 HA PHE A 56 1.541 3.719 2.000 1.00 0.00 H new ATOM 0 HB2 PHE A 56 2.425 6.531 2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 56 0.793 5.911 2.529 1.00 0.00 H new ATOM 0 HD1 PHE A 56 -0.177 4.478 4.312 1.00 0.00 H new ATOM 0 HD2 PHE A 56 3.651 6.295 4.749 1.00 0.00 H new ATOM 0 HE1 PHE A 56 -0.262 4.073 6.733 1.00 0.00 H new ATOM 0 HE2 PHE A 56 3.569 5.890 7.171 1.00 0.00 H new ATOM 0 HZ PHE A 56 1.613 4.774 8.167 1.00 0.00 H new ATOM 905 N ILE A 57 2.079 4.320 -0.327 1.00 0.00 N ATOM 906 CA ILE A 57 2.356 4.658 -1.717 1.00 0.00 C ATOM 907 C ILE A 57 1.260 5.545 -2.296 1.00 0.00 C ATOM 908 O ILE A 57 0.074 5.232 -2.188 1.00 0.00 O ATOM 909 CB ILE A 57 2.493 3.395 -2.587 1.00 0.00 C ATOM 910 CG1 ILE A 57 3.819 2.689 -2.296 1.00 0.00 C ATOM 911 CG2 ILE A 57 2.391 3.755 -4.062 1.00 0.00 C ATOM 912 CD1 ILE A 57 3.780 1.199 -2.557 1.00 0.00 C ATOM 0 H ILE A 57 1.372 3.596 -0.202 1.00 0.00 H new ATOM 0 HA ILE A 57 3.302 5.200 -1.727 1.00 0.00 H new ATOM 0 HB ILE A 57 1.679 2.713 -2.342 1.00 0.00 H new ATOM 0 HG12 ILE A 57 4.602 3.137 -2.908 1.00 0.00 H new ATOM 0 HG13 ILE A 57 4.092 2.860 -1.255 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.490 2.852 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.424 4.218 -4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 57 3.187 4.453 -4.322 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.753 0.764 -2.330 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.020 0.739 -1.925 1.00 0.00 H new ATOM 0 HD13 ILE A 57 3.538 1.019 -3.605 1.00 0.00 H new ATOM 924 N GLU A 58 1.663 6.651 -2.912 1.00 0.00 N ATOM 925 CA GLU A 58 0.714 7.583 -3.508 1.00 0.00 C ATOM 926 C GLU A 58 0.675 7.423 -5.026 1.00 0.00 C ATOM 927 O GLU A 58 1.687 7.595 -5.704 1.00 0.00 O ATOM 928 CB GLU A 58 1.080 9.024 -3.145 1.00 0.00 C ATOM 929 CG GLU A 58 0.016 10.038 -3.529 1.00 0.00 C ATOM 930 CD GLU A 58 -0.047 11.209 -2.567 1.00 0.00 C ATOM 931 OE1 GLU A 58 1.018 11.624 -2.065 1.00 0.00 O ATOM 932 OE2 GLU A 58 -1.164 11.709 -2.316 1.00 0.00 O ATOM 0 H GLU A 58 2.641 6.924 -3.011 1.00 0.00 H new ATOM 0 HA GLU A 58 -0.275 7.357 -3.110 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.257 9.085 -2.071 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.016 9.287 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 58 0.218 10.408 -4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -0.956 9.545 -3.560 1.00 0.00 H new ATOM 939 N MET A 59 -0.501 7.093 -5.550 1.00 0.00 N ATOM 940 CA MET A 59 -0.671 6.912 -6.988 1.00 0.00 C ATOM 941 C MET A 59 -1.031 8.230 -7.664 1.00 0.00 C ATOM 942 O MET A 59 -1.551 9.144 -7.025 1.00 0.00 O ATOM 943 CB MET A 59 -1.756 5.869 -7.266 1.00 0.00 C ATOM 944 CG MET A 59 -1.523 4.545 -6.556 1.00 0.00 C ATOM 945 SD MET A 59 0.011 3.745 -7.066 1.00 0.00 S ATOM 946 CE MET A 59 -0.529 2.887 -8.541 1.00 0.00 C ATOM 0 H MET A 59 -1.349 6.946 -5.002 1.00 0.00 H new ATOM 0 HA MET A 59 0.275 6.561 -7.400 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.722 6.271 -6.960 1.00 0.00 H new ATOM 0 HB3 MET A 59 -1.811 5.691 -8.340 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.500 4.713 -5.479 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.361 3.877 -6.756 1.00 0.00 H new ATOM 0 HE1 MET A 59 0.315 2.358 -8.984 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.310 2.172 -8.281 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.922 3.608 -9.258 1.00 0.00 H new ATOM 956 N ALA A 60 -0.752 8.321 -8.960 1.00 0.00 N ATOM 957 CA ALA A 60 -1.048 9.527 -9.722 1.00 0.00 C ATOM 958 C ALA A 60 -2.551 9.697 -9.920 1.00 0.00 C ATOM 959 O ALA A 60 -3.027 10.787 -10.239 1.00 0.00 O ATOM 960 CB ALA A 60 -0.338 9.489 -11.068 1.00 0.00 C ATOM 0 H ALA A 60 -0.321 7.573 -9.504 1.00 0.00 H new ATOM 0 HA ALA A 60 -0.683 10.383 -9.155 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -0.568 10.396 -11.627 1.00 0.00 H new ATOM 0 HB2 ALA A 60 0.738 9.424 -10.910 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -0.675 8.620 -11.633 1.00 0.00 H new ATOM 966 N THR A 61 -3.295 8.612 -9.728 1.00 0.00 N ATOM 967 CA THR A 61 -4.742 8.640 -9.887 1.00 0.00 C ATOM 968 C THR A 61 -5.420 7.666 -8.929 1.00 0.00 C ATOM 969 O THR A 61 -5.086 6.481 -8.893 1.00 0.00 O ATOM 970 CB THR A 61 -5.157 8.296 -11.330 1.00 0.00 C ATOM 971 OG1 THR A 61 -4.671 6.996 -11.682 1.00 0.00 O ATOM 972 CG2 THR A 61 -4.616 9.327 -12.308 1.00 0.00 C ATOM 0 H THR A 61 -2.918 7.702 -9.462 1.00 0.00 H new ATOM 0 HA THR A 61 -5.065 9.655 -9.657 1.00 0.00 H new ATOM 0 HB THR A 61 -6.246 8.303 -11.384 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.127 6.640 -10.948 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.922 9.063 -13.321 1.00 0.00 H new ATOM 0 HG22 THR A 61 -5.010 10.311 -12.054 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.528 9.347 -12.251 1.00 0.00 H new ATOM 980 N THR A 62 -6.375 8.171 -8.154 1.00 0.00 N ATOM 981 CA THR A 62 -7.099 7.345 -7.197 1.00 0.00 C ATOM 982 C THR A 62 -7.605 6.064 -7.848 1.00 0.00 C ATOM 983 O THR A 62 -7.877 5.077 -7.167 1.00 0.00 O ATOM 984 CB THR A 62 -8.292 8.106 -6.588 1.00 0.00 C ATOM 985 OG1 THR A 62 -9.044 7.235 -5.735 1.00 0.00 O ATOM 986 CG2 THR A 62 -9.195 8.658 -7.679 1.00 0.00 C ATOM 0 H THR A 62 -6.665 9.149 -8.171 1.00 0.00 H new ATOM 0 HA THR A 62 -6.397 7.091 -6.403 1.00 0.00 H new ATOM 0 HB THR A 62 -7.903 8.940 -6.004 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.597 7.769 -5.127 1.00 0.00 H new ATOM 0 HG21 THR A 62 -10.030 9.191 -7.225 1.00 0.00 H new ATOM 0 HG22 THR A 62 -8.627 9.342 -8.309 1.00 0.00 H new ATOM 0 HG23 THR A 62 -9.576 7.837 -8.286 1.00 0.00 H new ATOM 994 N GLU A 63 -7.732 6.088 -9.171 1.00 0.00 N ATOM 995 CA GLU A 63 -8.207 4.927 -9.915 1.00 0.00 C ATOM 996 C GLU A 63 -7.304 3.720 -9.674 1.00 0.00 C ATOM 997 O GLU A 63 -7.779 2.591 -9.554 1.00 0.00 O ATOM 998 CB GLU A 63 -8.269 5.241 -11.411 1.00 0.00 C ATOM 999 CG GLU A 63 -9.453 6.109 -11.802 1.00 0.00 C ATOM 1000 CD GLU A 63 -9.352 6.628 -13.223 1.00 0.00 C ATOM 1001 OE1 GLU A 63 -8.220 6.719 -13.743 1.00 0.00 O ATOM 1002 OE2 GLU A 63 -10.405 6.941 -13.816 1.00 0.00 O ATOM 0 H GLU A 63 -7.513 6.899 -9.750 1.00 0.00 H new ATOM 0 HA GLU A 63 -9.209 4.686 -9.561 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -7.348 5.743 -11.707 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -8.315 4.305 -11.968 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -10.372 5.533 -11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.523 6.953 -11.115 1.00 0.00 H new ATOM 1009 N ASP A 64 -6.001 3.968 -9.606 1.00 0.00 N ATOM 1010 CA ASP A 64 -5.031 2.903 -9.379 1.00 0.00 C ATOM 1011 C ASP A 64 -5.080 2.421 -7.932 1.00 0.00 C ATOM 1012 O ASP A 64 -5.443 1.278 -7.660 1.00 0.00 O ATOM 1013 CB ASP A 64 -3.622 3.387 -9.721 1.00 0.00 C ATOM 1014 CG ASP A 64 -3.560 4.087 -11.064 1.00 0.00 C ATOM 1015 OD1 ASP A 64 -4.160 3.572 -12.031 1.00 0.00 O ATOM 1016 OD2 ASP A 64 -2.911 5.151 -11.149 1.00 0.00 O ATOM 0 H ASP A 64 -5.592 4.897 -9.705 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.288 2.067 -10.030 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -3.276 4.068 -8.943 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -2.940 2.537 -9.726 1.00 0.00 H new ATOM 1021 N ALA A 65 -4.711 3.303 -7.009 1.00 0.00 N ATOM 1022 CA ALA A 65 -4.714 2.968 -5.590 1.00 0.00 C ATOM 1023 C ALA A 65 -5.947 2.150 -5.220 1.00 0.00 C ATOM 1024 O ALA A 65 -5.840 1.107 -4.578 1.00 0.00 O ATOM 1025 CB ALA A 65 -4.647 4.235 -4.749 1.00 0.00 C ATOM 0 H ALA A 65 -4.407 4.254 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 65 -3.833 2.360 -5.384 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -4.650 3.970 -3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.733 4.780 -4.984 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -5.510 4.863 -4.968 1.00 0.00 H new ATOM 1031 N GLN A 66 -7.115 2.632 -5.631 1.00 0.00 N ATOM 1032 CA GLN A 66 -8.368 1.945 -5.341 1.00 0.00 C ATOM 1033 C GLN A 66 -8.366 0.537 -5.928 1.00 0.00 C ATOM 1034 O GLN A 66 -8.911 -0.393 -5.337 1.00 0.00 O ATOM 1035 CB GLN A 66 -9.551 2.740 -5.898 1.00 0.00 C ATOM 1036 CG GLN A 66 -9.877 3.989 -5.094 1.00 0.00 C ATOM 1037 CD GLN A 66 -11.292 4.481 -5.329 1.00 0.00 C ATOM 1038 OE1 GLN A 66 -12.231 3.689 -5.413 1.00 0.00 O ATOM 1039 NE2 GLN A 66 -11.452 5.794 -5.435 1.00 0.00 N ATOM 0 H GLN A 66 -7.220 3.495 -6.165 1.00 0.00 H new ATOM 0 HA GLN A 66 -8.468 1.868 -4.258 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -9.333 3.027 -6.927 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -10.430 2.096 -5.926 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -9.741 3.780 -4.033 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -9.173 4.779 -5.356 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -10.646 6.414 -5.359 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -12.381 6.183 -5.592 1.00 0.00 H new ATOM 1048 N ALA A 67 -7.748 0.390 -7.095 1.00 0.00 N ATOM 1049 CA ALA A 67 -7.672 -0.905 -7.762 1.00 0.00 C ATOM 1050 C ALA A 67 -6.716 -1.842 -7.034 1.00 0.00 C ATOM 1051 O ALA A 67 -7.030 -3.008 -6.801 1.00 0.00 O ATOM 1052 CB ALA A 67 -7.243 -0.728 -9.211 1.00 0.00 C ATOM 0 H ALA A 67 -7.293 1.151 -7.599 1.00 0.00 H new ATOM 0 HA ALA A 67 -8.664 -1.356 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -7.190 -1.702 -9.697 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.968 -0.102 -9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.263 -0.253 -9.245 1.00 0.00 H new ATOM 1058 N ALA A 68 -5.544 -1.324 -6.678 1.00 0.00 N ATOM 1059 CA ALA A 68 -4.541 -2.115 -5.976 1.00 0.00 C ATOM 1060 C ALA A 68 -5.138 -2.790 -4.745 1.00 0.00 C ATOM 1061 O ALA A 68 -4.711 -3.877 -4.354 1.00 0.00 O ATOM 1062 CB ALA A 68 -3.362 -1.238 -5.580 1.00 0.00 C ATOM 0 H ALA A 68 -5.267 -0.360 -6.864 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.190 -2.895 -6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.620 -1.841 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -2.913 -0.806 -6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.707 -0.438 -4.925 1.00 0.00 H new ATOM 1068 N VAL A 69 -6.125 -2.140 -4.139 1.00 0.00 N ATOM 1069 CA VAL A 69 -6.780 -2.679 -2.953 1.00 0.00 C ATOM 1070 C VAL A 69 -7.733 -3.811 -3.319 1.00 0.00 C ATOM 1071 O VAL A 69 -7.759 -4.852 -2.661 1.00 0.00 O ATOM 1072 CB VAL A 69 -7.564 -1.587 -2.200 1.00 0.00 C ATOM 1073 CG1 VAL A 69 -8.487 -2.210 -1.164 1.00 0.00 C ATOM 1074 CG2 VAL A 69 -6.606 -0.601 -1.547 1.00 0.00 C ATOM 0 H VAL A 69 -6.489 -1.239 -4.449 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.993 -3.065 -2.304 1.00 0.00 H new ATOM 0 HB VAL A 69 -8.178 -1.043 -2.918 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -9.032 -1.423 -0.642 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -9.195 -2.874 -1.660 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -7.897 -2.779 -0.446 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -7.175 0.164 -1.019 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.966 -1.129 -0.840 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.990 -0.131 -2.313 1.00 0.00 H new ATOM 1084 N ASP A 70 -8.516 -3.602 -4.372 1.00 0.00 N ATOM 1085 CA ASP A 70 -9.471 -4.606 -4.827 1.00 0.00 C ATOM 1086 C ASP A 70 -8.763 -5.916 -5.159 1.00 0.00 C ATOM 1087 O ASP A 70 -9.404 -6.955 -5.320 1.00 0.00 O ATOM 1088 CB ASP A 70 -10.233 -4.098 -6.051 1.00 0.00 C ATOM 1089 CG ASP A 70 -11.710 -4.436 -5.995 1.00 0.00 C ATOM 1090 OD1 ASP A 70 -12.249 -4.551 -4.874 1.00 0.00 O ATOM 1091 OD2 ASP A 70 -12.326 -4.587 -7.071 1.00 0.00 O ATOM 0 H ASP A 70 -8.508 -2.746 -4.927 1.00 0.00 H new ATOM 0 HA ASP A 70 -10.180 -4.791 -4.020 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -10.113 -3.017 -6.127 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -9.798 -4.531 -6.952 1.00 0.00 H new ATOM 1096 N TYR A 71 -7.441 -5.859 -5.263 1.00 0.00 N ATOM 1097 CA TYR A 71 -6.647 -7.040 -5.580 1.00 0.00 C ATOM 1098 C TYR A 71 -6.284 -7.809 -4.313 1.00 0.00 C ATOM 1099 O TYR A 71 -5.923 -8.986 -4.369 1.00 0.00 O ATOM 1100 CB TYR A 71 -5.374 -6.640 -6.329 1.00 0.00 C ATOM 1101 CG TYR A 71 -4.397 -7.778 -6.514 1.00 0.00 C ATOM 1102 CD1 TYR A 71 -4.805 -8.990 -7.055 1.00 0.00 C ATOM 1103 CD2 TYR A 71 -3.063 -7.640 -6.146 1.00 0.00 C ATOM 1104 CE1 TYR A 71 -3.915 -10.033 -7.225 1.00 0.00 C ATOM 1105 CE2 TYR A 71 -2.166 -8.677 -6.313 1.00 0.00 C ATOM 1106 CZ TYR A 71 -2.596 -9.871 -6.852 1.00 0.00 C ATOM 1107 OH TYR A 71 -1.706 -10.907 -7.021 1.00 0.00 O ATOM 0 H TYR A 71 -6.896 -5.007 -5.132 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.247 -7.689 -6.218 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.647 -6.244 -7.307 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -4.881 -5.834 -5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -5.836 -9.120 -7.348 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -2.723 -6.707 -5.723 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -4.249 -10.969 -7.647 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.133 -8.553 -6.023 1.00 0.00 H new ATOM 0 HH TYR A 71 -0.819 -10.630 -6.710 1.00 0.00 H new ATOM 1117 N TYR A 72 -6.383 -7.136 -3.172 1.00 0.00 N ATOM 1118 CA TYR A 72 -6.063 -7.754 -1.891 1.00 0.00 C ATOM 1119 C TYR A 72 -7.277 -8.480 -1.318 1.00 0.00 C ATOM 1120 O TYR A 72 -7.143 -9.392 -0.501 1.00 0.00 O ATOM 1121 CB TYR A 72 -5.572 -6.698 -0.899 1.00 0.00 C ATOM 1122 CG TYR A 72 -6.382 -6.641 0.375 1.00 0.00 C ATOM 1123 CD1 TYR A 72 -7.739 -6.345 0.347 1.00 0.00 C ATOM 1124 CD2 TYR A 72 -5.791 -6.882 1.609 1.00 0.00 C ATOM 1125 CE1 TYR A 72 -8.484 -6.291 1.510 1.00 0.00 C ATOM 1126 CE2 TYR A 72 -6.527 -6.831 2.777 1.00 0.00 C ATOM 1127 CZ TYR A 72 -7.873 -6.536 2.722 1.00 0.00 C ATOM 1128 OH TYR A 72 -8.610 -6.483 3.883 1.00 0.00 O ATOM 0 H TYR A 72 -6.682 -6.163 -3.108 1.00 0.00 H new ATOM 0 HA TYR A 72 -5.270 -8.483 -2.057 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -4.531 -6.903 -0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -5.598 -5.720 -1.380 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -8.221 -6.154 -0.601 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -4.737 -7.113 1.656 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -9.538 -6.058 1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -6.051 -7.021 3.728 1.00 0.00 H new ATOM 0 HH TYR A 72 -8.030 -6.681 4.648 1.00 0.00 H new ATOM 1138 N THR A 73 -8.464 -8.067 -1.753 1.00 0.00 N ATOM 1139 CA THR A 73 -9.703 -8.676 -1.284 1.00 0.00 C ATOM 1140 C THR A 73 -10.020 -9.947 -2.065 1.00 0.00 C ATOM 1141 O THR A 73 -10.572 -10.902 -1.517 1.00 0.00 O ATOM 1142 CB THR A 73 -10.889 -7.701 -1.409 1.00 0.00 C ATOM 1143 OG1 THR A 73 -11.975 -8.143 -0.586 1.00 0.00 O ATOM 1144 CG2 THR A 73 -11.353 -7.594 -2.854 1.00 0.00 C ATOM 0 H THR A 73 -8.593 -7.314 -2.429 1.00 0.00 H new ATOM 0 HA THR A 73 -9.556 -8.926 -0.233 1.00 0.00 H new ATOM 0 HB THR A 73 -10.558 -6.717 -1.077 1.00 0.00 H new ATOM 0 HG1 THR A 73 -12.725 -7.517 -0.670 1.00 0.00 H new ATOM 0 HG21 THR A 73 -12.191 -6.900 -2.917 1.00 0.00 H new ATOM 0 HG22 THR A 73 -10.533 -7.230 -3.473 1.00 0.00 H new ATOM 0 HG23 THR A 73 -11.667 -8.575 -3.209 1.00 0.00 H new ATOM 1152 N THR A 74 -9.668 -9.953 -3.347 1.00 0.00 N ATOM 1153 CA THR A 74 -9.917 -11.107 -4.202 1.00 0.00 C ATOM 1154 C THR A 74 -8.733 -12.066 -4.188 1.00 0.00 C ATOM 1155 O THR A 74 -8.902 -13.280 -4.308 1.00 0.00 O ATOM 1156 CB THR A 74 -10.198 -10.678 -5.655 1.00 0.00 C ATOM 1157 OG1 THR A 74 -9.062 -9.993 -6.192 1.00 0.00 O ATOM 1158 CG2 THR A 74 -11.421 -9.777 -5.727 1.00 0.00 C ATOM 0 H THR A 74 -9.210 -9.172 -3.816 1.00 0.00 H new ATOM 0 HA THR A 74 -10.796 -11.613 -3.803 1.00 0.00 H new ATOM 0 HB THR A 74 -10.392 -11.575 -6.244 1.00 0.00 H new ATOM 0 HG1 THR A 74 -9.111 -9.043 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 74 -11.599 -9.487 -6.763 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.290 -10.312 -5.345 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.251 -8.884 -5.125 1.00 0.00 H new ATOM 1166 N THR A 75 -7.532 -11.515 -4.038 1.00 0.00 N ATOM 1167 CA THR A 75 -6.319 -12.323 -4.008 1.00 0.00 C ATOM 1168 C THR A 75 -5.406 -11.901 -2.862 1.00 0.00 C ATOM 1169 O THR A 75 -5.231 -10.716 -2.579 1.00 0.00 O ATOM 1170 CB THR A 75 -5.540 -12.219 -5.334 1.00 0.00 C ATOM 1171 OG1 THR A 75 -6.342 -12.715 -6.412 1.00 0.00 O ATOM 1172 CG2 THR A 75 -4.239 -13.002 -5.260 1.00 0.00 C ATOM 0 H THR A 75 -7.374 -10.513 -3.935 1.00 0.00 H new ATOM 0 HA THR A 75 -6.632 -13.356 -3.859 1.00 0.00 H new ATOM 0 HB THR A 75 -5.303 -11.170 -5.511 1.00 0.00 H new ATOM 0 HG1 THR A 75 -5.841 -12.644 -7.252 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.707 -12.914 -6.207 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.619 -12.603 -4.457 1.00 0.00 H new ATOM 0 HG23 THR A 75 -4.457 -14.052 -5.063 1.00 0.00 H new ATOM 1180 N PRO A 76 -4.808 -12.893 -2.186 1.00 0.00 N ATOM 1181 CA PRO A 76 -3.901 -12.649 -1.060 1.00 0.00 C ATOM 1182 C PRO A 76 -2.583 -12.024 -1.502 1.00 0.00 C ATOM 1183 O PRO A 76 -1.857 -12.595 -2.316 1.00 0.00 O ATOM 1184 CB PRO A 76 -3.663 -14.048 -0.486 1.00 0.00 C ATOM 1185 CG PRO A 76 -3.899 -14.972 -1.630 1.00 0.00 C ATOM 1186 CD PRO A 76 -4.970 -14.329 -2.468 1.00 0.00 C ATOM 0 HA PRO A 76 -4.323 -11.945 -0.343 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -2.650 -14.149 -0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -4.343 -14.258 0.339 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -2.987 -15.118 -2.208 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -4.215 -15.954 -1.279 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -4.837 -14.548 -3.527 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -5.963 -14.683 -2.192 1.00 0.00 H new ATOM 1194 N ALA A 77 -2.279 -10.849 -0.961 1.00 0.00 N ATOM 1195 CA ALA A 77 -1.046 -10.148 -1.299 1.00 0.00 C ATOM 1196 C ALA A 77 0.121 -10.655 -0.460 1.00 0.00 C ATOM 1197 O ALA A 77 0.327 -10.210 0.670 1.00 0.00 O ATOM 1198 CB ALA A 77 -1.223 -8.649 -1.108 1.00 0.00 C ATOM 0 H ALA A 77 -2.870 -10.362 -0.287 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.820 -10.346 -2.347 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -0.295 -8.138 -1.364 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.024 -8.292 -1.755 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -1.477 -8.442 -0.068 1.00 0.00 H new ATOM 1204 N LEU A 78 0.883 -11.590 -1.018 1.00 0.00 N ATOM 1205 CA LEU A 78 2.031 -12.159 -0.321 1.00 0.00 C ATOM 1206 C LEU A 78 3.306 -11.394 -0.656 1.00 0.00 C ATOM 1207 O LEU A 78 3.828 -11.494 -1.767 1.00 0.00 O ATOM 1208 CB LEU A 78 2.195 -13.635 -0.688 1.00 0.00 C ATOM 1209 CG LEU A 78 1.048 -14.560 -0.281 1.00 0.00 C ATOM 1210 CD1 LEU A 78 1.391 -16.007 -0.599 1.00 0.00 C ATOM 1211 CD2 LEU A 78 0.729 -14.397 1.197 1.00 0.00 C ATOM 0 H LEU A 78 0.726 -11.970 -1.951 1.00 0.00 H new ATOM 0 HA LEU A 78 1.852 -12.076 0.751 1.00 0.00 H new ATOM 0 HB2 LEU A 78 2.328 -13.708 -1.767 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.112 -14.003 -0.228 1.00 0.00 H new ATOM 0 HG LEU A 78 0.163 -14.284 -0.854 1.00 0.00 H new ATOM 0 HD11 LEU A 78 0.563 -16.651 -0.302 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.567 -16.112 -1.669 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.289 -16.296 -0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -0.090 -15.063 1.468 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.610 -14.645 1.789 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.438 -13.365 1.395 1.00 0.00 H new ATOM 1223 N VAL A 79 3.805 -10.631 0.311 1.00 0.00 N ATOM 1224 CA VAL A 79 5.022 -9.853 0.120 1.00 0.00 C ATOM 1225 C VAL A 79 6.245 -10.609 0.626 1.00 0.00 C ATOM 1226 O VAL A 79 6.319 -10.980 1.797 1.00 0.00 O ATOM 1227 CB VAL A 79 4.938 -8.494 0.841 1.00 0.00 C ATOM 1228 CG1 VAL A 79 6.261 -7.751 0.736 1.00 0.00 C ATOM 1229 CG2 VAL A 79 3.801 -7.658 0.272 1.00 0.00 C ATOM 0 H VAL A 79 3.384 -10.535 1.235 1.00 0.00 H new ATOM 0 HA VAL A 79 5.123 -9.683 -0.952 1.00 0.00 H new ATOM 0 HB VAL A 79 4.733 -8.675 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 79 6.182 -6.794 1.251 1.00 0.00 H new ATOM 0 HG12 VAL A 79 7.050 -8.346 1.195 1.00 0.00 H new ATOM 0 HG13 VAL A 79 6.500 -7.580 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 79 3.756 -6.702 0.793 1.00 0.00 H new ATOM 0 HG22 VAL A 79 3.973 -7.485 -0.790 1.00 0.00 H new ATOM 0 HG23 VAL A 79 2.858 -8.188 0.405 1.00 0.00 H new ATOM 1239 N PHE A 80 7.205 -10.835 -0.265 1.00 0.00 N ATOM 1240 CA PHE A 80 8.426 -11.548 0.091 1.00 0.00 C ATOM 1241 C PHE A 80 8.125 -13.003 0.438 1.00 0.00 C ATOM 1242 O PHE A 80 9.010 -13.751 0.852 1.00 0.00 O ATOM 1243 CB PHE A 80 9.117 -10.862 1.271 1.00 0.00 C ATOM 1244 CG PHE A 80 10.262 -9.979 0.865 1.00 0.00 C ATOM 1245 CD1 PHE A 80 11.246 -10.448 0.009 1.00 0.00 C ATOM 1246 CD2 PHE A 80 10.354 -8.681 1.339 1.00 0.00 C ATOM 1247 CE1 PHE A 80 12.300 -9.637 -0.366 1.00 0.00 C ATOM 1248 CE2 PHE A 80 11.407 -7.866 0.968 1.00 0.00 C ATOM 1249 CZ PHE A 80 12.382 -8.344 0.113 1.00 0.00 C ATOM 0 H PHE A 80 7.161 -10.535 -1.239 1.00 0.00 H new ATOM 0 HA PHE A 80 9.092 -11.529 -0.771 1.00 0.00 H new ATOM 0 HB2 PHE A 80 8.384 -10.266 1.814 1.00 0.00 H new ATOM 0 HB3 PHE A 80 9.482 -11.623 1.960 1.00 0.00 H new ATOM 0 HD1 PHE A 80 11.188 -11.458 -0.369 1.00 0.00 H new ATOM 0 HD2 PHE A 80 9.594 -8.301 2.006 1.00 0.00 H new ATOM 0 HE1 PHE A 80 13.060 -10.014 -1.034 1.00 0.00 H new ATOM 0 HE2 PHE A 80 11.468 -6.856 1.346 1.00 0.00 H new ATOM 0 HZ PHE A 80 13.205 -7.709 -0.180 1.00 0.00 H new ATOM 1259 N GLY A 81 6.866 -13.398 0.267 1.00 0.00 N ATOM 1260 CA GLY A 81 6.469 -14.761 0.567 1.00 0.00 C ATOM 1261 C GLY A 81 5.432 -14.832 1.671 1.00 0.00 C ATOM 1262 O GLY A 81 4.726 -15.832 1.807 1.00 0.00 O ATOM 0 H GLY A 81 6.115 -12.798 -0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 81 6.069 -15.227 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.347 -15.336 0.860 1.00 0.00 H new ATOM 1266 N LYS A 82 5.339 -13.770 2.463 1.00 0.00 N ATOM 1267 CA LYS A 82 4.382 -13.715 3.562 1.00 0.00 C ATOM 1268 C LYS A 82 3.259 -12.729 3.255 1.00 0.00 C ATOM 1269 O LYS A 82 3.453 -11.719 2.579 1.00 0.00 O ATOM 1270 CB LYS A 82 5.087 -13.314 4.860 1.00 0.00 C ATOM 1271 CG LYS A 82 6.053 -12.155 4.694 1.00 0.00 C ATOM 1272 CD LYS A 82 7.471 -12.643 4.443 1.00 0.00 C ATOM 1273 CE LYS A 82 8.497 -11.574 4.783 1.00 0.00 C ATOM 1274 NZ LYS A 82 9.857 -12.151 4.977 1.00 0.00 N ATOM 0 H LYS A 82 5.915 -12.934 2.364 1.00 0.00 H new ATOM 0 HA LYS A 82 3.948 -14.707 3.684 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.336 -13.047 5.604 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.630 -14.175 5.250 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.731 -11.527 3.863 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.034 -11.533 5.589 1.00 0.00 H new ATOM 0 HD2 LYS A 82 7.661 -13.534 5.041 1.00 0.00 H new ATOM 0 HD3 LYS A 82 7.578 -12.932 3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 82 8.528 -10.833 3.984 1.00 0.00 H new ATOM 0 HE3 LYS A 82 8.191 -11.053 5.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 10.527 -11.390 5.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 9.834 -12.840 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 10.160 -12.627 4.103 1.00 0.00 H new ATOM 1288 N PRO A 83 2.054 -13.027 3.764 1.00 0.00 N ATOM 1289 CA PRO A 83 0.876 -12.178 3.560 1.00 0.00 C ATOM 1290 C PRO A 83 0.977 -10.856 4.312 1.00 0.00 C ATOM 1291 O PRO A 83 1.635 -10.769 5.351 1.00 0.00 O ATOM 1292 CB PRO A 83 -0.271 -13.024 4.116 1.00 0.00 C ATOM 1293 CG PRO A 83 0.372 -13.928 5.111 1.00 0.00 C ATOM 1294 CD PRO A 83 1.749 -14.214 4.581 1.00 0.00 C ATOM 0 HA PRO A 83 0.750 -11.900 2.514 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -1.033 -12.400 4.583 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -0.763 -13.591 3.326 1.00 0.00 H new ATOM 0 HG2 PRO A 83 0.422 -13.456 6.092 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.200 -14.848 5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 83 2.471 -14.343 5.387 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.769 -15.127 3.986 1.00 0.00 H new ATOM 1302 N VAL A 84 0.321 -9.828 3.784 1.00 0.00 N ATOM 1303 CA VAL A 84 0.337 -8.510 4.407 1.00 0.00 C ATOM 1304 C VAL A 84 -1.050 -7.874 4.384 1.00 0.00 C ATOM 1305 O VAL A 84 -2.029 -8.513 3.997 1.00 0.00 O ATOM 1306 CB VAL A 84 1.331 -7.567 3.705 1.00 0.00 C ATOM 1307 CG1 VAL A 84 2.707 -8.212 3.619 1.00 0.00 C ATOM 1308 CG2 VAL A 84 0.824 -7.191 2.321 1.00 0.00 C ATOM 0 H VAL A 84 -0.228 -9.882 2.926 1.00 0.00 H new ATOM 0 HA VAL A 84 0.652 -8.654 5.440 1.00 0.00 H new ATOM 0 HB VAL A 84 1.418 -6.655 4.295 1.00 0.00 H new ATOM 0 HG11 VAL A 84 3.397 -7.532 3.120 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.072 -8.427 4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 84 2.639 -9.140 3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.540 -6.524 1.840 1.00 0.00 H new ATOM 0 HG22 VAL A 84 0.707 -8.092 1.719 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -0.138 -6.687 2.411 1.00 0.00 H new ATOM 1318 N ARG A 85 -1.125 -6.615 4.798 1.00 0.00 N ATOM 1319 CA ARG A 85 -2.391 -5.893 4.825 1.00 0.00 C ATOM 1320 C ARG A 85 -2.358 -4.699 3.876 1.00 0.00 C ATOM 1321 O ARG A 85 -1.384 -3.946 3.843 1.00 0.00 O ATOM 1322 CB ARG A 85 -2.703 -5.419 6.246 1.00 0.00 C ATOM 1323 CG ARG A 85 -3.582 -6.382 7.029 1.00 0.00 C ATOM 1324 CD ARG A 85 -4.128 -5.733 8.292 1.00 0.00 C ATOM 1325 NE ARG A 85 -4.311 -6.703 9.370 1.00 0.00 N ATOM 1326 CZ ARG A 85 -5.375 -7.490 9.478 1.00 0.00 C ATOM 1327 NH1 ARG A 85 -6.347 -7.423 8.578 1.00 0.00 N ATOM 1328 NH2 ARG A 85 -5.469 -8.346 10.486 1.00 0.00 N ATOM 0 H ARG A 85 -0.323 -6.073 5.120 1.00 0.00 H new ATOM 0 HA ARG A 85 -3.175 -6.575 4.496 1.00 0.00 H new ATOM 0 HB2 ARG A 85 -1.767 -5.274 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 85 -3.196 -4.448 6.196 1.00 0.00 H new ATOM 0 HG2 ARG A 85 -4.409 -6.714 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 85 -3.007 -7.269 7.293 1.00 0.00 H new ATOM 0 HD2 ARG A 85 -3.446 -4.949 8.621 1.00 0.00 H new ATOM 0 HD3 ARG A 85 -5.081 -5.253 8.070 1.00 0.00 H new ATOM 0 HE ARG A 85 -3.581 -6.780 10.078 1.00 0.00 H new ATOM 0 HH11 ARG A 85 -6.278 -6.766 7.801 1.00 0.00 H new ATOM 0 HH12 ARG A 85 -7.163 -8.029 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -4.723 -8.401 11.180 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -6.287 -8.950 10.568 1.00 0.00 H new ATOM 1342 N VAL A 86 -3.427 -4.533 3.103 1.00 0.00 N ATOM 1343 CA VAL A 86 -3.520 -3.431 2.153 1.00 0.00 C ATOM 1344 C VAL A 86 -4.834 -2.676 2.314 1.00 0.00 C ATOM 1345 O VAL A 86 -5.913 -3.241 2.133 1.00 0.00 O ATOM 1346 CB VAL A 86 -3.401 -3.930 0.701 1.00 0.00 C ATOM 1347 CG1 VAL A 86 -3.618 -2.787 -0.277 1.00 0.00 C ATOM 1348 CG2 VAL A 86 -2.048 -4.588 0.473 1.00 0.00 C ATOM 0 H VAL A 86 -4.241 -5.148 3.116 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.690 -2.758 2.367 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.177 -4.676 0.528 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.530 -3.160 -1.298 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -4.612 -2.365 -0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -2.868 -2.015 -0.107 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -1.981 -4.935 -0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -1.255 -3.865 0.665 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -1.937 -5.436 1.149 1.00 0.00 H new ATOM 1358 N HIS A 87 -4.737 -1.396 2.655 1.00 0.00 N ATOM 1359 CA HIS A 87 -5.920 -0.561 2.839 1.00 0.00 C ATOM 1360 C HIS A 87 -5.774 0.760 2.090 1.00 0.00 C ATOM 1361 O HIS A 87 -4.664 1.254 1.889 1.00 0.00 O ATOM 1362 CB HIS A 87 -6.155 -0.295 4.326 1.00 0.00 C ATOM 1363 CG HIS A 87 -6.268 -1.542 5.147 1.00 0.00 C ATOM 1364 ND1 HIS A 87 -6.797 -2.752 4.852 1.00 0.00 N flip ATOM 1365 CD2 HIS A 87 -5.805 -1.634 6.443 1.00 0.00 C flip ATOM 1366 CE1 HIS A 87 -6.644 -3.546 5.962 1.00 0.00 C flip ATOM 1367 NE2 HIS A 87 -6.042 -2.847 6.908 1.00 0.00 N flip ATOM 0 H HIS A 87 -3.852 -0.913 2.810 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.779 -1.095 2.433 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -5.336 0.311 4.712 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -7.067 0.291 4.442 1.00 0.00 H new ATOM 0 HD1 HIS A 87 -7.229 -3.024 3.969 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -5.324 -0.838 6.992 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.964 -4.574 6.048 1.00 0.00 H new ATOM 1375 N LEU A 88 -6.904 1.327 1.677 1.00 0.00 N ATOM 1376 CA LEU A 88 -6.903 2.591 0.950 1.00 0.00 C ATOM 1377 C LEU A 88 -7.050 3.771 1.905 1.00 0.00 C ATOM 1378 O LEU A 88 -8.162 4.155 2.267 1.00 0.00 O ATOM 1379 CB LEU A 88 -8.033 2.610 -0.080 1.00 0.00 C ATOM 1380 CG LEU A 88 -7.687 3.200 -1.448 1.00 0.00 C ATOM 1381 CD1 LEU A 88 -7.226 4.642 -1.306 1.00 0.00 C ATOM 1382 CD2 LEU A 88 -6.618 2.362 -2.135 1.00 0.00 C ATOM 0 H LEU A 88 -7.831 0.931 1.834 1.00 0.00 H new ATOM 0 HA LEU A 88 -5.947 2.683 0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -8.382 1.588 -0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -8.867 3.175 0.336 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.585 3.186 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.984 5.045 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -8.022 5.236 -0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.341 4.680 -0.671 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.384 2.796 -3.107 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -5.718 2.344 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -6.985 1.345 -2.271 1.00 0.00 H new