USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 490 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 36 THR OG1 : rot -101:sc= 0.289 USER MOD Set 1.2: A 38 ASN : amide:sc= 0.466 K(o=0.76,f=-3.8) USER MOD Single : A 20 GLN : amide:sc= -0.0989 K(o=-0.099,f=-1.8!) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.0053) USER MOD Single : A 27 GLN : amide:sc= -0.301 K(o=-0.3,f=-2.5!) USER MOD Single : A 29 TYR OH : rot 180:sc= -0.701 USER MOD Single : A 30 LYS NZ :NH3+ -117:sc= -0.0174 (180deg=-1.16) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot -21:sc= 0.788 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 102:sc= -3.18! USER MOD Single : A 48 MET CE :methyl -129:sc= -3.96! (180deg=-6.52!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 94:sc= 0.915 USER MOD Single : A 69 GLN : amide:sc= -0.0113 K(o=-0.011,f=-3.1!) USER MOD Single : A 70 HIS : no HD1:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc=-0.00756 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 291 N GLN A 20 -9.280 -7.356 -9.508 1.00 0.00 N ATOM 292 CA GLN A 20 -9.343 -5.977 -9.979 1.00 0.00 C ATOM 293 C GLN A 20 -8.813 -5.026 -8.913 1.00 0.00 C ATOM 294 O GLN A 20 -8.036 -4.117 -9.207 1.00 0.00 O ATOM 295 CB GLN A 20 -10.779 -5.593 -10.368 1.00 0.00 C ATOM 296 CG GLN A 20 -11.785 -5.658 -9.226 1.00 0.00 C ATOM 297 CD GLN A 20 -13.037 -4.847 -9.505 1.00 0.00 C ATOM 298 OE1 GLN A 20 -13.031 -3.943 -10.341 1.00 0.00 O ATOM 299 NE2 GLN A 20 -14.118 -5.166 -8.802 1.00 0.00 N ATOM 0 HA GLN A 20 -8.716 -5.895 -10.867 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -10.773 -4.581 -10.772 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -11.114 -6.254 -11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.062 -6.697 -9.049 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -11.316 -5.293 -8.312 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -14.077 -5.923 -8.119 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -14.989 -4.654 -8.945 1.00 0.00 H new ATOM 308 N ARG A 21 -9.232 -5.257 -7.675 1.00 0.00 N ATOM 309 CA ARG A 21 -8.809 -4.439 -6.545 1.00 0.00 C ATOM 310 C ARG A 21 -7.305 -4.530 -6.336 1.00 0.00 C ATOM 311 O ARG A 21 -6.611 -3.514 -6.293 1.00 0.00 O ATOM 312 CB ARG A 21 -9.543 -4.881 -5.288 1.00 0.00 C ATOM 313 CG ARG A 21 -10.964 -4.345 -5.209 1.00 0.00 C ATOM 314 CD ARG A 21 -11.911 -5.347 -4.568 1.00 0.00 C ATOM 315 NE ARG A 21 -13.239 -4.775 -4.345 1.00 0.00 N ATOM 316 CZ ARG A 21 -13.699 -4.391 -3.154 1.00 0.00 C ATOM 317 NH1 ARG A 21 -12.957 -4.529 -2.063 1.00 0.00 N ATOM 318 NH2 ARG A 21 -14.912 -3.864 -3.055 1.00 0.00 N ATOM 0 H ARG A 21 -9.871 -6.012 -7.427 1.00 0.00 H new ATOM 0 HA ARG A 21 -9.055 -3.399 -6.760 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -9.569 -5.970 -5.253 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -8.986 -4.548 -4.413 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -10.972 -3.419 -4.634 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.317 -4.101 -6.211 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -11.997 -6.226 -5.207 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.496 -5.683 -3.618 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.852 -4.663 -5.152 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.023 -4.933 -2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.321 -4.231 -1.158 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.490 -3.754 -3.888 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.267 -3.569 -2.145 1.00 0.00 H new ATOM 332 N GLN A 22 -6.806 -5.753 -6.214 1.00 0.00 N ATOM 333 CA GLN A 22 -5.379 -5.974 -6.020 1.00 0.00 C ATOM 334 C GLN A 22 -4.592 -5.498 -7.234 1.00 0.00 C ATOM 335 O GLN A 22 -3.381 -5.300 -7.159 1.00 0.00 O ATOM 336 CB GLN A 22 -5.095 -7.453 -5.759 1.00 0.00 C ATOM 337 CG GLN A 22 -5.008 -7.800 -4.282 1.00 0.00 C ATOM 338 CD GLN A 22 -4.344 -9.140 -4.035 1.00 0.00 C ATOM 339 OE1 GLN A 22 -3.160 -9.320 -4.318 1.00 0.00 O ATOM 340 NE2 GLN A 22 -5.108 -10.089 -3.507 1.00 0.00 N ATOM 0 H GLN A 22 -7.366 -6.605 -6.246 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.062 -5.398 -5.151 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.880 -8.053 -6.220 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.158 -7.727 -6.245 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -4.450 -7.021 -3.762 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -6.011 -7.812 -3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -6.085 -9.894 -3.288 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -4.718 -11.013 -3.320 1.00 0.00 H new ATOM 349 N ALA A 23 -5.285 -5.313 -8.355 1.00 0.00 N ATOM 350 CA ALA A 23 -4.634 -4.856 -9.578 1.00 0.00 C ATOM 351 C ALA A 23 -4.070 -3.454 -9.391 1.00 0.00 C ATOM 352 O ALA A 23 -2.854 -3.259 -9.365 1.00 0.00 O ATOM 353 CB ALA A 23 -5.607 -4.891 -10.748 1.00 0.00 C ATOM 0 H ALA A 23 -6.289 -5.471 -8.441 1.00 0.00 H new ATOM 0 HA ALA A 23 -3.808 -5.531 -9.800 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -5.103 -4.547 -11.651 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.961 -5.911 -10.897 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -6.455 -4.240 -10.535 1.00 0.00 H new ATOM 359 N LEU A 24 -4.962 -2.482 -9.252 1.00 0.00 N ATOM 360 CA LEU A 24 -4.558 -1.104 -9.057 1.00 0.00 C ATOM 361 C LEU A 24 -3.916 -0.928 -7.683 1.00 0.00 C ATOM 362 O LEU A 24 -3.013 -0.112 -7.509 1.00 0.00 O ATOM 363 CB LEU A 24 -5.775 -0.197 -9.210 1.00 0.00 C ATOM 364 CG LEU A 24 -6.088 0.233 -10.640 1.00 0.00 C ATOM 365 CD1 LEU A 24 -4.915 0.990 -11.249 1.00 0.00 C ATOM 366 CD2 LEU A 24 -6.441 -0.985 -11.479 1.00 0.00 C ATOM 0 H LEU A 24 -5.971 -2.627 -9.271 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.817 -0.832 -9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -6.645 -0.712 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.621 0.696 -8.604 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.944 0.908 -10.623 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -5.163 1.286 -12.268 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -4.707 1.879 -10.654 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -4.034 0.348 -11.261 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.664 -0.672 -12.499 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.599 -1.677 -11.487 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -7.314 -1.480 -11.053 1.00 0.00 H new ATOM 378 N GLY A 25 -4.378 -1.703 -6.707 1.00 0.00 N ATOM 379 CA GLY A 25 -3.818 -1.605 -5.371 1.00 0.00 C ATOM 380 C GLY A 25 -2.338 -1.928 -5.368 1.00 0.00 C ATOM 381 O GLY A 25 -1.539 -1.265 -4.697 1.00 0.00 O ATOM 0 H GLY A 25 -5.123 -2.391 -6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.973 -0.598 -4.983 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.343 -2.289 -4.704 1.00 0.00 H new ATOM 385 N GLU A 26 -1.962 -2.935 -6.146 1.00 0.00 N ATOM 386 CA GLU A 26 -0.568 -3.319 -6.252 1.00 0.00 C ATOM 387 C GLU A 26 0.239 -2.160 -6.822 1.00 0.00 C ATOM 388 O GLU A 26 1.433 -2.029 -6.553 1.00 0.00 O ATOM 389 CB GLU A 26 -0.413 -4.558 -7.133 1.00 0.00 C ATOM 390 CG GLU A 26 0.870 -5.330 -6.877 1.00 0.00 C ATOM 391 CD GLU A 26 0.966 -6.585 -7.719 1.00 0.00 C ATOM 392 OE1 GLU A 26 0.298 -6.644 -8.773 1.00 0.00 O ATOM 393 OE2 GLU A 26 1.710 -7.509 -7.326 1.00 0.00 O ATOM 0 H GLU A 26 -2.602 -3.496 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.194 -3.563 -5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -1.264 -5.219 -6.969 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -0.442 -4.255 -8.180 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.725 -4.688 -7.088 1.00 0.00 H new ATOM 0 HG3 GLU A 26 0.925 -5.598 -5.822 1.00 0.00 H new ATOM 400 N GLN A 27 -0.431 -1.307 -7.600 1.00 0.00 N ATOM 401 CA GLN A 27 0.222 -0.147 -8.188 1.00 0.00 C ATOM 402 C GLN A 27 0.724 0.782 -7.089 1.00 0.00 C ATOM 403 O GLN A 27 1.714 1.492 -7.266 1.00 0.00 O ATOM 404 CB GLN A 27 -0.729 0.602 -9.126 1.00 0.00 C ATOM 405 CG GLN A 27 -0.778 0.028 -10.535 1.00 0.00 C ATOM 406 CD GLN A 27 -0.678 1.096 -11.607 1.00 0.00 C ATOM 407 OE1 GLN A 27 -0.276 2.227 -11.338 1.00 0.00 O ATOM 408 NE2 GLN A 27 -1.046 0.739 -12.832 1.00 0.00 N ATOM 0 H GLN A 27 -1.419 -1.401 -7.833 1.00 0.00 H new ATOM 0 HA GLN A 27 1.072 -0.493 -8.776 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.733 0.584 -8.701 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.424 1.647 -9.179 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.037 -0.685 -10.661 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.708 -0.525 -10.665 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.373 -0.211 -13.010 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.001 1.414 -13.595 1.00 0.00 H new ATOM 417 N LEU A 28 0.044 0.756 -5.943 1.00 0.00 N ATOM 418 CA LEU A 28 0.433 1.579 -4.804 1.00 0.00 C ATOM 419 C LEU A 28 1.795 1.127 -4.280 1.00 0.00 C ATOM 420 O LEU A 28 2.617 1.943 -3.866 1.00 0.00 O ATOM 421 CB LEU A 28 -0.622 1.488 -3.694 1.00 0.00 C ATOM 422 CG LEU A 28 -0.575 2.606 -2.643 1.00 0.00 C ATOM 423 CD1 LEU A 28 -1.381 3.813 -3.104 1.00 0.00 C ATOM 424 CD2 LEU A 28 -1.091 2.099 -1.301 1.00 0.00 C ATOM 0 H LEU A 28 -0.778 0.174 -5.781 1.00 0.00 H new ATOM 0 HA LEU A 28 0.504 2.618 -5.126 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.610 1.488 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.507 0.531 -3.186 1.00 0.00 H new ATOM 0 HG LEU A 28 0.463 2.916 -2.519 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.334 4.593 -2.344 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.967 4.191 -4.039 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.419 3.519 -3.259 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.051 2.905 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.121 1.760 -1.412 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.471 1.269 -0.963 1.00 0.00 H new ATOM 436 N TYR A 29 2.022 -0.185 -4.302 1.00 0.00 N ATOM 437 CA TYR A 29 3.285 -0.757 -3.829 1.00 0.00 C ATOM 438 C TYR A 29 4.440 -0.476 -4.796 1.00 0.00 C ATOM 439 O TYR A 29 5.519 -0.065 -4.375 1.00 0.00 O ATOM 440 CB TYR A 29 3.139 -2.268 -3.616 1.00 0.00 C ATOM 441 CG TYR A 29 4.428 -2.965 -3.225 1.00 0.00 C ATOM 442 CD1 TYR A 29 5.149 -2.571 -2.103 1.00 0.00 C ATOM 443 CD2 TYR A 29 4.921 -4.019 -3.981 1.00 0.00 C ATOM 444 CE1 TYR A 29 6.324 -3.211 -1.748 1.00 0.00 C ATOM 445 CE2 TYR A 29 6.094 -4.662 -3.633 1.00 0.00 C ATOM 446 CZ TYR A 29 6.790 -4.254 -2.516 1.00 0.00 C ATOM 447 OH TYR A 29 7.958 -4.895 -2.165 1.00 0.00 O ATOM 0 H TYR A 29 1.350 -0.873 -4.642 1.00 0.00 H new ATOM 0 HA TYR A 29 3.522 -0.277 -2.879 1.00 0.00 H new ATOM 0 HB2 TYR A 29 2.393 -2.445 -2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 29 2.758 -2.718 -4.533 1.00 0.00 H new ATOM 0 HD1 TYR A 29 4.786 -1.753 -1.499 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.378 -4.343 -4.857 1.00 0.00 H new ATOM 0 HE1 TYR A 29 6.872 -2.894 -0.873 1.00 0.00 H new ATOM 0 HE2 TYR A 29 6.463 -5.480 -4.234 1.00 0.00 H new ATOM 0 HH TYR A 29 8.146 -5.608 -2.810 1.00 0.00 H new ATOM 457 N LYS A 30 4.229 -0.719 -6.086 1.00 0.00 N ATOM 458 CA LYS A 30 5.285 -0.498 -7.074 1.00 0.00 C ATOM 459 C LYS A 30 5.718 0.967 -7.095 1.00 0.00 C ATOM 460 O LYS A 30 6.882 1.277 -7.346 1.00 0.00 O ATOM 461 CB LYS A 30 4.831 -0.935 -8.469 1.00 0.00 C ATOM 462 CG LYS A 30 3.575 -0.239 -8.958 1.00 0.00 C ATOM 463 CD LYS A 30 2.977 -0.969 -10.152 1.00 0.00 C ATOM 464 CE LYS A 30 3.645 -0.555 -11.451 1.00 0.00 C ATOM 465 NZ LYS A 30 4.907 -1.307 -11.694 1.00 0.00 N ATOM 0 H LYS A 30 3.350 -1.064 -6.470 1.00 0.00 H new ATOM 0 HA LYS A 30 6.141 -1.107 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.637 -0.746 -9.178 1.00 0.00 H new ATOM 0 HB3 LYS A 30 4.658 -2.011 -8.463 1.00 0.00 H new ATOM 0 HG2 LYS A 30 2.843 -0.193 -8.152 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.809 0.789 -9.235 1.00 0.00 H new ATOM 0 HD2 LYS A 30 3.085 -2.045 -10.013 1.00 0.00 H new ATOM 0 HD3 LYS A 30 1.909 -0.761 -10.209 1.00 0.00 H new ATOM 0 HE2 LYS A 30 2.958 -0.722 -12.281 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.859 0.513 -11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.709 -0.645 -11.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.046 -2.006 -10.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.849 -1.796 -12.610 1.00 0.00 H new ATOM 479 N LYS A 31 4.772 1.860 -6.827 1.00 0.00 N ATOM 480 CA LYS A 31 5.048 3.295 -6.812 1.00 0.00 C ATOM 481 C LYS A 31 6.075 3.641 -5.736 1.00 0.00 C ATOM 482 O LYS A 31 6.955 4.476 -5.948 1.00 0.00 O ATOM 483 CB LYS A 31 3.757 4.072 -6.560 1.00 0.00 C ATOM 484 CG LYS A 31 3.690 5.407 -7.281 1.00 0.00 C ATOM 485 CD LYS A 31 2.978 5.280 -8.617 1.00 0.00 C ATOM 486 CE LYS A 31 3.900 4.722 -9.689 1.00 0.00 C ATOM 487 NZ LYS A 31 3.852 5.528 -10.940 1.00 0.00 N ATOM 0 H LYS A 31 3.804 1.616 -6.616 1.00 0.00 H new ATOM 0 HA LYS A 31 5.457 3.574 -7.783 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.910 3.460 -6.870 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.651 4.243 -5.489 1.00 0.00 H new ATOM 0 HG2 LYS A 31 3.169 6.134 -6.657 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.699 5.788 -7.439 1.00 0.00 H new ATOM 0 HD2 LYS A 31 2.110 4.630 -8.508 1.00 0.00 H new ATOM 0 HD3 LYS A 31 2.607 6.257 -8.927 1.00 0.00 H new ATOM 0 HE2 LYS A 31 4.922 4.699 -9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 31 3.618 3.693 -9.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 4.495 5.114 -11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 2.882 5.530 -11.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 4.146 6.504 -10.735 1.00 0.00 H new ATOM 501 N VAL A 32 5.958 2.986 -4.585 1.00 0.00 N ATOM 502 CA VAL A 32 6.876 3.211 -3.477 1.00 0.00 C ATOM 503 C VAL A 32 8.176 2.457 -3.705 1.00 0.00 C ATOM 504 O VAL A 32 9.261 2.976 -3.437 1.00 0.00 O ATOM 505 CB VAL A 32 6.259 2.786 -2.133 1.00 0.00 C ATOM 506 CG1 VAL A 32 5.065 3.665 -1.798 1.00 0.00 C ATOM 507 CG2 VAL A 32 5.861 1.319 -2.139 1.00 0.00 C ATOM 0 H VAL A 32 5.234 2.293 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 32 7.079 4.281 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 32 7.018 2.916 -1.362 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.639 3.352 -0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.386 4.704 -1.728 1.00 0.00 H new ATOM 0 HG13 VAL A 32 4.312 3.570 -2.580 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.429 1.055 -1.174 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.126 1.145 -2.925 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.742 0.704 -2.323 1.00 0.00 H new ATOM 517 N SER A 33 8.066 1.233 -4.212 1.00 0.00 N ATOM 518 CA SER A 33 9.233 0.413 -4.492 1.00 0.00 C ATOM 519 C SER A 33 9.942 0.889 -5.762 1.00 0.00 C ATOM 520 O SER A 33 10.901 0.266 -6.219 1.00 0.00 O ATOM 521 CB SER A 33 8.817 -1.054 -4.622 1.00 0.00 C ATOM 522 OG SER A 33 9.811 -1.920 -4.106 1.00 0.00 O ATOM 0 H SER A 33 7.176 0.789 -4.437 1.00 0.00 H new ATOM 0 HA SER A 33 9.935 0.509 -3.663 1.00 0.00 H new ATOM 0 HB2 SER A 33 7.879 -1.216 -4.091 1.00 0.00 H new ATOM 0 HB3 SER A 33 8.635 -1.291 -5.670 1.00 0.00 H new ATOM 0 HG SER A 33 10.672 -1.453 -4.085 1.00 0.00 H new ATOM 528 N ALA A 34 9.466 2.004 -6.326 1.00 0.00 N ATOM 529 CA ALA A 34 10.051 2.571 -7.534 1.00 0.00 C ATOM 530 C ALA A 34 11.520 2.949 -7.327 1.00 0.00 C ATOM 531 O ALA A 34 12.210 3.322 -8.275 1.00 0.00 O ATOM 532 CB ALA A 34 9.248 3.784 -7.977 1.00 0.00 C ATOM 0 H ALA A 34 8.673 2.530 -5.959 1.00 0.00 H new ATOM 0 HA ALA A 34 10.016 1.811 -8.314 1.00 0.00 H new ATOM 0 HB1 ALA A 34 9.691 4.203 -8.881 1.00 0.00 H new ATOM 0 HB2 ALA A 34 8.220 3.485 -8.182 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.257 4.535 -7.187 1.00 0.00 H new ATOM 538 N LYS A 35 11.995 2.847 -6.085 1.00 0.00 N ATOM 539 CA LYS A 35 13.381 3.174 -5.769 1.00 0.00 C ATOM 540 C LYS A 35 14.207 1.902 -5.567 1.00 0.00 C ATOM 541 O LYS A 35 15.437 1.948 -5.548 1.00 0.00 O ATOM 542 CB LYS A 35 13.441 4.043 -4.509 1.00 0.00 C ATOM 543 CG LYS A 35 14.125 5.385 -4.724 1.00 0.00 C ATOM 544 CD LYS A 35 13.372 6.512 -4.036 1.00 0.00 C ATOM 545 CE LYS A 35 13.617 7.845 -4.725 1.00 0.00 C ATOM 546 NZ LYS A 35 12.798 8.941 -4.134 1.00 0.00 N ATOM 0 H LYS A 35 11.440 2.541 -5.285 1.00 0.00 H new ATOM 0 HA LYS A 35 13.803 3.729 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 35 12.427 4.216 -4.149 1.00 0.00 H new ATOM 0 HB3 LYS A 35 13.969 3.497 -3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 35 15.144 5.340 -4.341 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.195 5.592 -5.792 1.00 0.00 H new ATOM 0 HD2 LYS A 35 12.305 6.292 -4.036 1.00 0.00 H new ATOM 0 HD3 LYS A 35 13.684 6.577 -2.994 1.00 0.00 H new ATOM 0 HE2 LYS A 35 14.674 8.102 -4.651 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.386 7.752 -5.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 12.997 9.831 -4.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.788 8.709 -4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.037 9.049 -3.127 1.00 0.00 H new ATOM 560 N THR A 36 13.523 0.766 -5.420 1.00 0.00 N ATOM 561 CA THR A 36 14.190 -0.518 -5.224 1.00 0.00 C ATOM 562 C THR A 36 13.168 -1.619 -4.965 1.00 0.00 C ATOM 563 O THR A 36 12.040 -1.341 -4.570 1.00 0.00 O ATOM 564 CB THR A 36 15.166 -0.440 -4.048 1.00 0.00 C ATOM 565 OG1 THR A 36 15.641 -1.729 -3.705 1.00 0.00 O ATOM 566 CG2 THR A 36 14.554 0.169 -2.804 1.00 0.00 C ATOM 0 H THR A 36 12.505 0.711 -5.433 1.00 0.00 H new ATOM 0 HA THR A 36 14.743 -0.753 -6.133 1.00 0.00 H new ATOM 0 HB THR A 36 15.978 0.203 -4.387 1.00 0.00 H new ATOM 0 HG1 THR A 36 15.161 -2.055 -2.915 1.00 0.00 H new ATOM 0 HG21 THR A 36 15.298 0.195 -2.008 1.00 0.00 H new ATOM 0 HG22 THR A 36 14.220 1.183 -3.022 1.00 0.00 H new ATOM 0 HG23 THR A 36 13.703 -0.433 -2.485 1.00 0.00 H new ATOM 574 N SER A 37 13.570 -2.872 -5.174 1.00 0.00 N ATOM 575 CA SER A 37 12.679 -4.006 -4.942 1.00 0.00 C ATOM 576 C SER A 37 12.771 -4.467 -3.490 1.00 0.00 C ATOM 577 O SER A 37 12.801 -5.664 -3.202 1.00 0.00 O ATOM 578 CB SER A 37 13.021 -5.162 -5.883 1.00 0.00 C ATOM 579 OG SER A 37 12.629 -4.870 -7.214 1.00 0.00 O ATOM 0 H SER A 37 14.502 -3.126 -5.502 1.00 0.00 H new ATOM 0 HA SER A 37 11.657 -3.684 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 37 14.093 -5.356 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.522 -6.070 -5.545 1.00 0.00 H new ATOM 0 HG SER A 37 12.860 -5.624 -7.796 1.00 0.00 H new ATOM 585 N ASN A 38 12.810 -3.498 -2.582 1.00 0.00 N ATOM 586 CA ASN A 38 12.889 -3.774 -1.154 1.00 0.00 C ATOM 587 C ASN A 38 11.520 -4.154 -0.595 1.00 0.00 C ATOM 588 O ASN A 38 10.646 -3.301 -0.438 1.00 0.00 O ATOM 589 CB ASN A 38 13.453 -2.561 -0.419 1.00 0.00 C ATOM 590 CG ASN A 38 14.948 -2.415 -0.615 1.00 0.00 C ATOM 591 OD1 ASN A 38 15.541 -3.074 -1.470 1.00 0.00 O ATOM 592 ND2 ASN A 38 15.567 -1.545 0.174 1.00 0.00 N ATOM 0 H ASN A 38 12.788 -2.505 -2.814 1.00 0.00 H new ATOM 0 HA ASN A 38 13.558 -4.621 -1.001 1.00 0.00 H new ATOM 0 HB2 ASN A 38 12.953 -1.660 -0.773 1.00 0.00 H new ATOM 0 HB3 ASN A 38 13.235 -2.650 0.645 1.00 0.00 H new ATOM 0 HD21 ASN A 38 16.573 -1.402 0.085 1.00 0.00 H new ATOM 0 HD22 ASN A 38 15.037 -1.020 0.869 1.00 0.00 H new ATOM 599 N GLU A 39 11.337 -5.438 -0.299 1.00 0.00 N ATOM 600 CA GLU A 39 10.071 -5.930 0.236 1.00 0.00 C ATOM 601 C GLU A 39 9.784 -5.344 1.616 1.00 0.00 C ATOM 602 O GLU A 39 8.628 -5.120 1.976 1.00 0.00 O ATOM 603 CB GLU A 39 10.086 -7.459 0.317 1.00 0.00 C ATOM 604 CG GLU A 39 9.397 -8.136 -0.857 1.00 0.00 C ATOM 605 CD GLU A 39 10.162 -9.341 -1.370 1.00 0.00 C ATOM 606 OE1 GLU A 39 11.380 -9.430 -1.107 1.00 0.00 O ATOM 607 OE2 GLU A 39 9.543 -10.196 -2.037 1.00 0.00 O ATOM 0 H GLU A 39 12.050 -6.157 -0.421 1.00 0.00 H new ATOM 0 HA GLU A 39 9.280 -5.611 -0.442 1.00 0.00 H new ATOM 0 HB2 GLU A 39 11.119 -7.802 0.368 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.600 -7.771 1.242 1.00 0.00 H new ATOM 0 HG2 GLU A 39 8.397 -8.447 -0.556 1.00 0.00 H new ATOM 0 HG3 GLU A 39 9.276 -7.416 -1.666 1.00 0.00 H new ATOM 614 N GLU A 40 10.840 -5.096 2.384 1.00 0.00 N ATOM 615 CA GLU A 40 10.693 -4.534 3.723 1.00 0.00 C ATOM 616 C GLU A 40 10.572 -3.015 3.666 1.00 0.00 C ATOM 617 O GLU A 40 10.009 -2.393 4.566 1.00 0.00 O ATOM 618 CB GLU A 40 11.881 -4.937 4.602 1.00 0.00 C ATOM 619 CG GLU A 40 11.469 -5.607 5.903 1.00 0.00 C ATOM 620 CD GLU A 40 12.079 -4.946 7.124 1.00 0.00 C ATOM 621 OE1 GLU A 40 13.286 -4.622 7.084 1.00 0.00 O ATOM 622 OE2 GLU A 40 11.352 -4.755 8.121 1.00 0.00 O ATOM 0 H GLU A 40 11.804 -5.274 2.104 1.00 0.00 H new ATOM 0 HA GLU A 40 9.778 -4.934 4.160 1.00 0.00 H new ATOM 0 HB2 GLU A 40 12.525 -5.614 4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 40 12.472 -4.050 4.830 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.383 -5.586 5.989 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.766 -6.655 5.876 1.00 0.00 H new ATOM 629 N ALA A 41 11.107 -2.427 2.602 1.00 0.00 N ATOM 630 CA ALA A 41 11.069 -0.982 2.415 1.00 0.00 C ATOM 631 C ALA A 41 9.709 -0.511 1.928 1.00 0.00 C ATOM 632 O ALA A 41 8.966 0.149 2.655 1.00 0.00 O ATOM 633 CB ALA A 41 12.129 -0.569 1.415 1.00 0.00 C ATOM 0 H ALA A 41 11.575 -2.934 1.851 1.00 0.00 H new ATOM 0 HA ALA A 41 11.261 -0.518 3.382 1.00 0.00 H new ATOM 0 HB1 ALA A 41 12.098 0.512 1.277 1.00 0.00 H new ATOM 0 HB2 ALA A 41 13.112 -0.860 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 41 11.941 -1.062 0.461 1.00 0.00 H new ATOM 639 N ALA A 42 9.403 -0.842 0.682 1.00 0.00 N ATOM 640 CA ALA A 42 8.149 -0.450 0.067 1.00 0.00 C ATOM 641 C ALA A 42 6.964 -1.068 0.789 1.00 0.00 C ATOM 642 O ALA A 42 5.907 -0.448 0.906 1.00 0.00 O ATOM 643 CB ALA A 42 8.145 -0.841 -1.401 1.00 0.00 C ATOM 0 H ALA A 42 10.015 -1.387 0.074 1.00 0.00 H new ATOM 0 HA ALA A 42 8.054 0.633 0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 42 7.200 -0.543 -1.854 1.00 0.00 H new ATOM 0 HB2 ALA A 42 8.967 -0.341 -1.913 1.00 0.00 H new ATOM 0 HB3 ALA A 42 8.266 -1.921 -1.490 1.00 0.00 H new ATOM 649 N GLY A 43 7.144 -2.285 1.292 1.00 0.00 N ATOM 650 CA GLY A 43 6.073 -2.943 2.007 1.00 0.00 C ATOM 651 C GLY A 43 5.741 -2.218 3.292 1.00 0.00 C ATOM 652 O GLY A 43 4.614 -2.284 3.782 1.00 0.00 O ATOM 0 H GLY A 43 8.008 -2.822 1.217 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.186 -2.990 1.375 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.360 -3.970 2.231 1.00 0.00 H new ATOM 656 N LYS A 44 6.731 -1.516 3.835 1.00 0.00 N ATOM 657 CA LYS A 44 6.544 -0.766 5.066 1.00 0.00 C ATOM 658 C LYS A 44 5.692 0.470 4.822 1.00 0.00 C ATOM 659 O LYS A 44 4.607 0.617 5.385 1.00 0.00 O ATOM 660 CB LYS A 44 7.894 -0.350 5.647 1.00 0.00 C ATOM 661 CG LYS A 44 8.039 -0.669 7.125 1.00 0.00 C ATOM 662 CD LYS A 44 7.922 -2.164 7.393 1.00 0.00 C ATOM 663 CE LYS A 44 6.731 -2.486 8.285 1.00 0.00 C ATOM 664 NZ LYS A 44 6.507 -3.954 8.402 1.00 0.00 N ATOM 0 H LYS A 44 7.669 -1.453 3.440 1.00 0.00 H new ATOM 0 HA LYS A 44 6.030 -1.412 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.689 -0.852 5.095 1.00 0.00 H new ATOM 0 HB3 LYS A 44 8.030 0.721 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.004 -0.310 7.482 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.273 -0.137 7.689 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.822 -2.696 6.447 1.00 0.00 H new ATOM 0 HD3 LYS A 44 8.837 -2.522 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 44 6.895 -2.063 9.276 1.00 0.00 H new ATOM 0 HE3 LYS A 44 5.836 -2.013 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.688 -4.132 9.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.325 -4.354 7.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.351 -4.402 8.811 1.00 0.00 H new ATOM 678 N ILE A 45 6.200 1.361 3.984 1.00 0.00 N ATOM 679 CA ILE A 45 5.497 2.591 3.669 1.00 0.00 C ATOM 680 C ILE A 45 4.170 2.312 2.975 1.00 0.00 C ATOM 681 O ILE A 45 3.191 3.026 3.191 1.00 0.00 O ATOM 682 CB ILE A 45 6.359 3.522 2.805 1.00 0.00 C ATOM 683 CG1 ILE A 45 6.824 2.820 1.535 1.00 0.00 C ATOM 684 CG2 ILE A 45 7.559 4.006 3.607 1.00 0.00 C ATOM 685 CD1 ILE A 45 7.713 3.690 0.677 1.00 0.00 C ATOM 0 H ILE A 45 7.097 1.253 3.511 1.00 0.00 H new ATOM 0 HA ILE A 45 5.291 3.092 4.615 1.00 0.00 H new ATOM 0 HB ILE A 45 5.751 4.378 2.512 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.363 1.912 1.804 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.953 2.514 0.955 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.167 4.666 2.989 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.214 4.549 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.157 3.150 3.920 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.013 3.137 -0.213 1.00 0.00 H new ATOM 0 HD12 ILE A 45 7.168 4.587 0.381 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.600 3.975 1.243 1.00 0.00 H new ATOM 697 N THR A 46 4.125 1.258 2.161 1.00 0.00 N ATOM 698 CA THR A 46 2.888 0.896 1.475 1.00 0.00 C ATOM 699 C THR A 46 1.808 0.597 2.508 1.00 0.00 C ATOM 700 O THR A 46 0.625 0.853 2.280 1.00 0.00 O ATOM 701 CB THR A 46 3.099 -0.313 0.554 1.00 0.00 C ATOM 702 OG1 THR A 46 3.955 0.026 -0.520 1.00 0.00 O ATOM 703 CG2 THR A 46 1.815 -0.850 -0.049 1.00 0.00 C ATOM 0 H THR A 46 4.919 0.649 1.963 1.00 0.00 H new ATOM 0 HA THR A 46 2.574 1.734 0.852 1.00 0.00 H new ATOM 0 HB THR A 46 3.533 -1.084 1.191 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.855 -0.320 -0.343 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.042 -1.703 -0.688 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.142 -1.163 0.749 1.00 0.00 H new ATOM 0 HG23 THR A 46 1.337 -0.070 -0.642 1.00 0.00 H new ATOM 711 N GLY A 47 2.233 0.069 3.654 1.00 0.00 N ATOM 712 CA GLY A 47 1.299 -0.240 4.717 1.00 0.00 C ATOM 713 C GLY A 47 0.609 1.006 5.231 1.00 0.00 C ATOM 714 O GLY A 47 -0.559 0.964 5.617 1.00 0.00 O ATOM 0 H GLY A 47 3.207 -0.149 3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 47 0.553 -0.946 4.353 1.00 0.00 H new ATOM 0 HA3 GLY A 47 1.827 -0.728 5.536 1.00 0.00 H new ATOM 718 N MET A 48 1.335 2.121 5.225 1.00 0.00 N ATOM 719 CA MET A 48 0.785 3.392 5.679 1.00 0.00 C ATOM 720 C MET A 48 -0.286 3.867 4.708 1.00 0.00 C ATOM 721 O MET A 48 -1.414 4.160 5.105 1.00 0.00 O ATOM 722 CB MET A 48 1.891 4.438 5.815 1.00 0.00 C ATOM 723 CG MET A 48 3.042 3.982 6.696 1.00 0.00 C ATOM 724 SD MET A 48 4.030 5.353 7.319 1.00 0.00 S ATOM 725 CE MET A 48 5.657 4.604 7.347 1.00 0.00 C ATOM 0 H MET A 48 2.304 2.169 4.911 1.00 0.00 H new ATOM 0 HA MET A 48 0.332 3.250 6.660 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.275 4.682 4.824 1.00 0.00 H new ATOM 0 HB3 MET A 48 1.467 5.354 6.227 1.00 0.00 H new ATOM 0 HG2 MET A 48 2.646 3.414 7.538 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.683 3.307 6.128 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.110 4.755 8.327 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.569 3.536 7.149 1.00 0.00 H new ATOM 0 HE3 MET A 48 6.283 5.065 6.583 1.00 0.00 H new ATOM 735 N ILE A 49 0.063 3.907 3.423 1.00 0.00 N ATOM 736 CA ILE A 49 -0.884 4.307 2.389 1.00 0.00 C ATOM 737 C ILE A 49 -1.926 3.208 2.169 1.00 0.00 C ATOM 738 O ILE A 49 -2.832 3.347 1.346 1.00 0.00 O ATOM 739 CB ILE A 49 -0.175 4.611 1.053 1.00 0.00 C ATOM 740 CG1 ILE A 49 1.064 5.481 1.287 1.00 0.00 C ATOM 741 CG2 ILE A 49 -1.134 5.292 0.089 1.00 0.00 C ATOM 742 CD1 ILE A 49 2.358 4.795 0.915 1.00 0.00 C ATOM 0 H ILE A 49 0.992 3.668 3.076 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.374 5.218 2.733 1.00 0.00 H new ATOM 0 HB ILE A 49 0.149 3.669 0.610 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.969 6.399 0.708 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.103 5.769 2.337 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.620 5.500 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.985 4.638 -0.101 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.486 6.227 0.525 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.194 5.468 1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.476 3.891 1.513 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.339 4.531 -0.142 1.00 0.00 H new ATOM 754 N LEU A 50 -1.794 2.120 2.932 1.00 0.00 N ATOM 755 CA LEU A 50 -2.713 0.993 2.859 1.00 0.00 C ATOM 756 C LEU A 50 -4.060 1.334 3.500 1.00 0.00 C ATOM 757 O LEU A 50 -4.888 0.450 3.725 1.00 0.00 O ATOM 758 CB LEU A 50 -2.095 -0.210 3.566 1.00 0.00 C ATOM 759 CG LEU A 50 -2.416 -1.580 2.963 1.00 0.00 C ATOM 760 CD1 LEU A 50 -2.348 -1.545 1.442 1.00 0.00 C ATOM 761 CD2 LEU A 50 -1.453 -2.615 3.509 1.00 0.00 C ATOM 0 H LEU A 50 -1.046 2.000 3.615 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.889 0.758 1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.012 -0.084 3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -2.426 -0.206 4.605 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.435 -1.849 3.243 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.581 -2.533 1.045 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.069 -0.822 1.062 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -1.345 -1.255 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.684 -3.589 3.078 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.432 -2.335 3.248 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.550 -2.666 4.594 1.00 0.00 H new ATOM 773 N ASP A 51 -4.281 2.617 3.789 1.00 0.00 N ATOM 774 CA ASP A 51 -5.527 3.059 4.394 1.00 0.00 C ATOM 775 C ASP A 51 -6.569 3.359 3.324 1.00 0.00 C ATOM 776 O ASP A 51 -7.768 3.356 3.598 1.00 0.00 O ATOM 777 CB ASP A 51 -5.290 4.299 5.256 1.00 0.00 C ATOM 778 CG ASP A 51 -4.623 3.963 6.575 1.00 0.00 C ATOM 779 OD1 ASP A 51 -5.221 3.203 7.365 1.00 0.00 O ATOM 780 OD2 ASP A 51 -3.501 4.457 6.816 1.00 0.00 O ATOM 0 H ASP A 51 -3.610 3.365 3.612 1.00 0.00 H new ATOM 0 HA ASP A 51 -5.902 2.255 5.027 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.669 5.007 4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -6.243 4.793 5.448 1.00 0.00 H new ATOM 785 N LEU A 52 -6.109 3.605 2.099 1.00 0.00 N ATOM 786 CA LEU A 52 -7.016 3.890 0.997 1.00 0.00 C ATOM 787 C LEU A 52 -7.778 2.625 0.611 1.00 0.00 C ATOM 788 O LEU A 52 -7.173 1.576 0.386 1.00 0.00 O ATOM 789 CB LEU A 52 -6.246 4.424 -0.214 1.00 0.00 C ATOM 790 CG LEU A 52 -5.897 5.913 -0.165 1.00 0.00 C ATOM 791 CD1 LEU A 52 -5.133 6.248 1.106 1.00 0.00 C ATOM 792 CD2 LEU A 52 -5.089 6.309 -1.389 1.00 0.00 C ATOM 0 H LEU A 52 -5.120 3.612 1.849 1.00 0.00 H new ATOM 0 HA LEU A 52 -7.724 4.653 1.321 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.322 3.855 -0.316 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.837 4.236 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.827 6.481 -0.163 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -4.896 7.312 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.745 6.003 1.974 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -4.209 5.670 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.849 7.371 -1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -4.166 5.730 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.671 6.111 -2.289 1.00 0.00 H new ATOM 804 N PRO A 53 -9.117 2.696 0.532 1.00 0.00 N ATOM 805 CA PRO A 53 -9.938 1.539 0.173 1.00 0.00 C ATOM 806 C PRO A 53 -9.456 0.878 -1.116 1.00 0.00 C ATOM 807 O PRO A 53 -8.726 1.486 -1.897 1.00 0.00 O ATOM 808 CB PRO A 53 -11.339 2.123 -0.011 1.00 0.00 C ATOM 809 CG PRO A 53 -11.343 3.389 0.779 1.00 0.00 C ATOM 810 CD PRO A 53 -9.928 3.900 0.785 1.00 0.00 C ATOM 0 HA PRO A 53 -9.896 0.758 0.932 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.550 2.315 -1.063 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.103 1.433 0.347 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -12.017 4.121 0.334 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -11.694 3.210 1.795 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -9.773 4.656 0.015 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -9.673 4.360 1.740 1.00 0.00 H new ATOM 818 N PRO A 54 -9.855 -0.384 -1.346 1.00 0.00 N ATOM 819 CA PRO A 54 -9.459 -1.144 -2.541 1.00 0.00 C ATOM 820 C PRO A 54 -9.611 -0.347 -3.838 1.00 0.00 C ATOM 821 O PRO A 54 -8.622 -0.001 -4.480 1.00 0.00 O ATOM 822 CB PRO A 54 -10.414 -2.339 -2.518 1.00 0.00 C ATOM 823 CG PRO A 54 -10.710 -2.545 -1.073 1.00 0.00 C ATOM 824 CD PRO A 54 -10.721 -1.175 -0.453 1.00 0.00 C ATOM 0 HA PRO A 54 -8.404 -1.417 -2.520 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -11.322 -2.134 -3.085 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -9.955 -3.223 -2.960 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -11.671 -3.042 -0.938 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -9.955 -3.178 -0.607 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -11.730 -0.764 -0.405 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -10.336 -1.193 0.567 1.00 0.00 H new ATOM 832 N GLN A 55 -10.848 -0.057 -4.223 1.00 0.00 N ATOM 833 CA GLN A 55 -11.093 0.706 -5.441 1.00 0.00 C ATOM 834 C GLN A 55 -10.817 2.193 -5.218 1.00 0.00 C ATOM 835 O GLN A 55 -10.351 2.889 -6.119 1.00 0.00 O ATOM 836 CB GLN A 55 -12.523 0.498 -5.944 1.00 0.00 C ATOM 837 CG GLN A 55 -13.594 0.822 -4.916 1.00 0.00 C ATOM 838 CD GLN A 55 -14.880 1.312 -5.550 1.00 0.00 C ATOM 839 OE1 GLN A 55 -15.408 2.360 -5.180 1.00 0.00 O ATOM 840 NE2 GLN A 55 -15.391 0.554 -6.514 1.00 0.00 N ATOM 0 H GLN A 55 -11.688 -0.335 -3.716 1.00 0.00 H new ATOM 0 HA GLN A 55 -10.407 0.339 -6.205 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -12.681 1.119 -6.826 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -12.639 -0.539 -6.260 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -13.802 -0.067 -4.321 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -13.218 1.582 -4.232 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.920 -0.308 -6.789 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -16.255 0.834 -6.979 1.00 0.00 H new ATOM 849 N GLU A 56 -11.119 2.676 -4.014 1.00 0.00 N ATOM 850 CA GLU A 56 -10.913 4.084 -3.681 1.00 0.00 C ATOM 851 C GLU A 56 -9.432 4.456 -3.684 1.00 0.00 C ATOM 852 O GLU A 56 -9.089 5.637 -3.751 1.00 0.00 O ATOM 853 CB GLU A 56 -11.522 4.412 -2.320 1.00 0.00 C ATOM 854 CG GLU A 56 -11.732 5.900 -2.097 1.00 0.00 C ATOM 855 CD GLU A 56 -12.787 6.187 -1.048 1.00 0.00 C ATOM 856 OE1 GLU A 56 -13.749 5.397 -0.943 1.00 0.00 O ATOM 857 OE2 GLU A 56 -12.652 7.201 -0.333 1.00 0.00 O ATOM 0 H GLU A 56 -11.506 2.115 -3.255 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.413 4.672 -4.451 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -12.479 3.899 -2.225 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -10.873 4.023 -1.536 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.789 6.355 -1.793 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.023 6.367 -3.038 1.00 0.00 H new ATOM 864 N VAL A 57 -8.557 3.457 -3.618 1.00 0.00 N ATOM 865 CA VAL A 57 -7.123 3.717 -3.628 1.00 0.00 C ATOM 866 C VAL A 57 -6.621 3.849 -5.059 1.00 0.00 C ATOM 867 O VAL A 57 -5.634 4.536 -5.321 1.00 0.00 O ATOM 868 CB VAL A 57 -6.323 2.611 -2.897 1.00 0.00 C ATOM 869 CG1 VAL A 57 -6.489 1.263 -3.580 1.00 0.00 C ATOM 870 CG2 VAL A 57 -4.849 2.982 -2.810 1.00 0.00 C ATOM 0 H VAL A 57 -8.812 2.471 -3.558 1.00 0.00 H new ATOM 0 HA VAL A 57 -6.963 4.653 -3.093 1.00 0.00 H new ATOM 0 HB VAL A 57 -6.723 2.528 -1.887 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -5.915 0.509 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.543 0.983 -3.582 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.129 1.329 -4.607 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -4.305 2.192 -2.293 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -4.444 3.104 -3.815 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -4.741 3.917 -2.260 1.00 0.00 H new ATOM 880 N PHE A 58 -7.313 3.176 -5.979 1.00 0.00 N ATOM 881 CA PHE A 58 -6.954 3.195 -7.398 1.00 0.00 C ATOM 882 C PHE A 58 -6.549 4.593 -7.872 1.00 0.00 C ATOM 883 O PHE A 58 -5.502 4.761 -8.493 1.00 0.00 O ATOM 884 CB PHE A 58 -8.111 2.686 -8.268 1.00 0.00 C ATOM 885 CG PHE A 58 -8.343 1.204 -8.221 1.00 0.00 C ATOM 886 CD1 PHE A 58 -7.864 0.429 -7.179 1.00 0.00 C ATOM 887 CD2 PHE A 58 -9.057 0.590 -9.237 1.00 0.00 C ATOM 888 CE1 PHE A 58 -8.096 -0.934 -7.153 1.00 0.00 C ATOM 889 CE2 PHE A 58 -9.291 -0.765 -9.219 1.00 0.00 C ATOM 890 CZ PHE A 58 -8.813 -1.529 -8.178 1.00 0.00 C ATOM 0 H PHE A 58 -8.132 2.607 -5.765 1.00 0.00 H new ATOM 0 HA PHE A 58 -6.096 2.531 -7.506 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.026 3.191 -7.959 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -7.921 2.975 -9.302 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.305 0.893 -6.380 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -9.436 1.184 -10.055 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.720 -1.532 -6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.848 -1.229 -10.019 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.997 -2.593 -8.161 1.00 0.00 H new ATOM 900 N PRO A 59 -7.376 5.619 -7.593 1.00 0.00 N ATOM 901 CA PRO A 59 -7.095 7.000 -8.010 1.00 0.00 C ATOM 902 C PRO A 59 -5.779 7.535 -7.451 1.00 0.00 C ATOM 903 O PRO A 59 -5.069 8.283 -8.124 1.00 0.00 O ATOM 904 CB PRO A 59 -8.274 7.802 -7.446 1.00 0.00 C ATOM 905 CG PRO A 59 -9.350 6.799 -7.208 1.00 0.00 C ATOM 906 CD PRO A 59 -8.649 5.519 -6.858 1.00 0.00 C ATOM 0 HA PRO A 59 -6.991 7.070 -9.093 1.00 0.00 H new ATOM 0 HB2 PRO A 59 -7.998 8.311 -6.522 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -8.600 8.570 -8.148 1.00 0.00 H new ATOM 0 HG2 PRO A 59 -10.009 7.117 -6.400 1.00 0.00 H new ATOM 0 HG3 PRO A 59 -9.971 6.674 -8.095 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -8.487 5.429 -5.784 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -9.225 4.647 -7.168 1.00 0.00 H new ATOM 914 N LEU A 60 -5.464 7.162 -6.214 1.00 0.00 N ATOM 915 CA LEU A 60 -4.237 7.623 -5.569 1.00 0.00 C ATOM 916 C LEU A 60 -3.021 6.831 -6.032 1.00 0.00 C ATOM 917 O LEU A 60 -1.959 7.400 -6.278 1.00 0.00 O ATOM 918 CB LEU A 60 -4.364 7.532 -4.044 1.00 0.00 C ATOM 919 CG LEU A 60 -3.250 8.229 -3.256 1.00 0.00 C ATOM 920 CD1 LEU A 60 -2.052 7.314 -3.106 1.00 0.00 C ATOM 921 CD2 LEU A 60 -2.846 9.526 -3.930 1.00 0.00 C ATOM 0 H LEU A 60 -6.038 6.545 -5.640 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.092 8.664 -5.859 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.321 7.962 -3.748 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.386 6.480 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.632 8.464 -2.262 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.271 7.826 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.349 6.410 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.673 7.046 -4.092 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.054 10.004 -3.354 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.486 9.316 -4.937 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.708 10.192 -3.984 1.00 0.00 H new ATOM 933 N LEU A 61 -3.170 5.518 -6.127 1.00 0.00 N ATOM 934 CA LEU A 61 -2.061 4.659 -6.535 1.00 0.00 C ATOM 935 C LEU A 61 -1.592 4.977 -7.952 1.00 0.00 C ATOM 936 O LEU A 61 -0.521 4.533 -8.366 1.00 0.00 O ATOM 937 CB LEU A 61 -2.451 3.184 -6.446 1.00 0.00 C ATOM 938 CG LEU A 61 -3.847 2.843 -6.959 1.00 0.00 C ATOM 939 CD1 LEU A 61 -3.814 2.514 -8.444 1.00 0.00 C ATOM 940 CD2 LEU A 61 -4.427 1.689 -6.159 1.00 0.00 C ATOM 0 H LEU A 61 -4.040 5.024 -5.929 1.00 0.00 H new ATOM 0 HA LEU A 61 -1.238 4.855 -5.847 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.723 2.599 -7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.378 2.869 -5.405 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.489 3.714 -6.828 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -4.821 2.274 -8.786 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.437 3.373 -8.999 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.160 1.658 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -5.424 1.452 -6.532 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.784 0.815 -6.262 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.490 1.971 -5.108 1.00 0.00 H new ATOM 952 N GLU A 62 -2.383 5.748 -8.696 1.00 0.00 N ATOM 953 CA GLU A 62 -2.012 6.110 -10.060 1.00 0.00 C ATOM 954 C GLU A 62 -1.705 7.605 -10.177 1.00 0.00 C ATOM 955 O GLU A 62 -1.256 8.070 -11.224 1.00 0.00 O ATOM 956 CB GLU A 62 -3.127 5.724 -11.036 1.00 0.00 C ATOM 957 CG GLU A 62 -4.461 6.389 -10.740 1.00 0.00 C ATOM 958 CD GLU A 62 -5.078 7.029 -11.966 1.00 0.00 C ATOM 959 OE1 GLU A 62 -4.319 7.532 -12.819 1.00 0.00 O ATOM 960 OE2 GLU A 62 -6.322 7.024 -12.075 1.00 0.00 O ATOM 0 H GLU A 62 -3.275 6.130 -8.381 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.107 5.559 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.818 5.986 -12.048 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.258 4.642 -11.013 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.150 5.648 -10.336 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -4.322 7.148 -9.970 1.00 0.00 H new ATOM 967 N SER A 63 -1.948 8.356 -9.101 1.00 0.00 N ATOM 968 CA SER A 63 -1.691 9.795 -9.096 1.00 0.00 C ATOM 969 C SER A 63 -0.372 10.106 -8.393 1.00 0.00 C ATOM 970 O SER A 63 -0.270 9.993 -7.175 1.00 0.00 O ATOM 971 CB SER A 63 -2.840 10.535 -8.405 1.00 0.00 C ATOM 972 OG SER A 63 -3.984 10.592 -9.240 1.00 0.00 O ATOM 0 H SER A 63 -2.321 7.992 -8.225 1.00 0.00 H new ATOM 0 HA SER A 63 -1.620 10.134 -10.130 1.00 0.00 H new ATOM 0 HB2 SER A 63 -3.092 10.032 -7.471 1.00 0.00 H new ATOM 0 HB3 SER A 63 -2.523 11.546 -8.147 1.00 0.00 H new ATOM 0 HG SER A 63 -4.581 9.845 -9.028 1.00 0.00 H new ATOM 978 N ASP A 64 0.635 10.502 -9.169 1.00 0.00 N ATOM 979 CA ASP A 64 1.950 10.823 -8.619 1.00 0.00 C ATOM 980 C ASP A 64 1.874 11.933 -7.573 1.00 0.00 C ATOM 981 O ASP A 64 2.233 11.730 -6.414 1.00 0.00 O ATOM 982 CB ASP A 64 2.908 11.228 -9.741 1.00 0.00 C ATOM 983 CG ASP A 64 3.529 10.029 -10.427 1.00 0.00 C ATOM 984 OD1 ASP A 64 4.093 9.167 -9.720 1.00 0.00 O ATOM 985 OD2 ASP A 64 3.451 9.948 -11.671 1.00 0.00 O ATOM 0 H ASP A 64 0.565 10.608 -10.181 1.00 0.00 H new ATOM 0 HA ASP A 64 2.326 9.927 -8.126 1.00 0.00 H new ATOM 0 HB2 ASP A 64 2.370 11.827 -10.476 1.00 0.00 H new ATOM 0 HB3 ASP A 64 3.697 11.859 -9.332 1.00 0.00 H new ATOM 990 N GLU A 65 1.411 13.112 -7.987 1.00 0.00 N ATOM 991 CA GLU A 65 1.297 14.254 -7.082 1.00 0.00 C ATOM 992 C GLU A 65 0.588 13.863 -5.788 1.00 0.00 C ATOM 993 O GLU A 65 1.122 14.046 -4.694 1.00 0.00 O ATOM 994 CB GLU A 65 0.542 15.398 -7.762 1.00 0.00 C ATOM 995 CG GLU A 65 1.289 16.722 -7.735 1.00 0.00 C ATOM 996 CD GLU A 65 0.854 17.658 -8.846 1.00 0.00 C ATOM 997 OE1 GLU A 65 -0.364 17.737 -9.114 1.00 0.00 O ATOM 998 OE2 GLU A 65 1.731 18.312 -9.448 1.00 0.00 O ATOM 0 H GLU A 65 1.109 13.301 -8.943 1.00 0.00 H new ATOM 0 HA GLU A 65 2.305 14.586 -6.835 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.342 15.125 -8.798 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.424 15.526 -7.273 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.128 17.207 -6.772 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.359 16.533 -7.822 1.00 0.00 H new ATOM 1005 N LEU A 66 -0.613 13.318 -5.926 1.00 0.00 N ATOM 1006 CA LEU A 66 -1.397 12.892 -4.777 1.00 0.00 C ATOM 1007 C LEU A 66 -0.639 11.817 -3.989 1.00 0.00 C ATOM 1008 O LEU A 66 -0.588 11.851 -2.761 1.00 0.00 O ATOM 1009 CB LEU A 66 -2.756 12.373 -5.253 1.00 0.00 C ATOM 1010 CG LEU A 66 -3.957 12.779 -4.393 1.00 0.00 C ATOM 1011 CD1 LEU A 66 -3.758 12.356 -2.946 1.00 0.00 C ATOM 1012 CD2 LEU A 66 -4.191 14.279 -4.483 1.00 0.00 C ATOM 0 H LEU A 66 -1.066 13.160 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.562 13.739 -4.112 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.924 12.727 -6.270 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -2.714 11.285 -5.297 1.00 0.00 H new ATOM 0 HG LEU A 66 -4.839 12.266 -4.777 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -4.625 12.656 -2.357 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -3.642 11.273 -2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -2.864 12.835 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -5.048 14.551 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -3.306 14.807 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -4.387 14.555 -5.519 1.00 0.00 H new ATOM 1024 N PHE A 67 -0.031 10.884 -4.716 1.00 0.00 N ATOM 1025 CA PHE A 67 0.751 9.814 -4.097 1.00 0.00 C ATOM 1026 C PHE A 67 1.843 10.391 -3.206 1.00 0.00 C ATOM 1027 O PHE A 67 1.967 10.026 -2.037 1.00 0.00 O ATOM 1028 CB PHE A 67 1.395 8.918 -5.161 1.00 0.00 C ATOM 1029 CG PHE A 67 1.777 7.562 -4.642 1.00 0.00 C ATOM 1030 CD1 PHE A 67 3.007 7.347 -4.033 1.00 0.00 C ATOM 1031 CD2 PHE A 67 0.898 6.500 -4.756 1.00 0.00 C ATOM 1032 CE1 PHE A 67 3.343 6.101 -3.548 1.00 0.00 C ATOM 1033 CE2 PHE A 67 1.233 5.251 -4.276 1.00 0.00 C ATOM 1034 CZ PHE A 67 2.456 5.052 -3.670 1.00 0.00 C ATOM 0 H PHE A 67 -0.064 10.846 -5.735 1.00 0.00 H new ATOM 0 HA PHE A 67 0.067 9.217 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 67 0.702 8.799 -5.994 1.00 0.00 H new ATOM 0 HB3 PHE A 67 2.283 9.413 -5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 67 3.707 8.164 -3.939 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -0.062 6.651 -5.227 1.00 0.00 H new ATOM 0 HE1 PHE A 67 4.300 5.946 -3.073 1.00 0.00 H new ATOM 0 HE2 PHE A 67 0.538 4.430 -4.375 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.719 4.075 -3.291 1.00 0.00 H new ATOM 1044 N GLU A 68 2.641 11.291 -3.777 1.00 0.00 N ATOM 1045 CA GLU A 68 3.741 11.925 -3.057 1.00 0.00 C ATOM 1046 C GLU A 68 3.330 12.344 -1.645 1.00 0.00 C ATOM 1047 O GLU A 68 4.077 12.139 -0.694 1.00 0.00 O ATOM 1048 CB GLU A 68 4.240 13.145 -3.832 1.00 0.00 C ATOM 1049 CG GLU A 68 5.512 12.889 -4.622 1.00 0.00 C ATOM 1050 CD GLU A 68 6.119 14.166 -5.165 1.00 0.00 C ATOM 1051 OE1 GLU A 68 5.352 15.103 -5.472 1.00 0.00 O ATOM 1052 OE2 GLU A 68 7.361 14.232 -5.280 1.00 0.00 O ATOM 0 H GLU A 68 2.544 11.599 -4.745 1.00 0.00 H new ATOM 0 HA GLU A 68 4.542 11.191 -2.969 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.458 13.474 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.416 13.962 -3.132 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.239 12.387 -3.983 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.294 12.213 -5.449 1.00 0.00 H new ATOM 1059 N GLN A 69 2.143 12.931 -1.519 1.00 0.00 N ATOM 1060 CA GLN A 69 1.640 13.381 -0.221 1.00 0.00 C ATOM 1061 C GLN A 69 1.614 12.238 0.792 1.00 0.00 C ATOM 1062 O GLN A 69 2.301 12.281 1.812 1.00 0.00 O ATOM 1063 CB GLN A 69 0.242 13.981 -0.373 1.00 0.00 C ATOM 1064 CG GLN A 69 0.059 15.290 0.376 1.00 0.00 C ATOM 1065 CD GLN A 69 -0.487 15.084 1.775 1.00 0.00 C ATOM 1066 OE1 GLN A 69 -0.094 14.151 2.476 1.00 0.00 O ATOM 1067 NE2 GLN A 69 -1.399 15.955 2.188 1.00 0.00 N ATOM 0 H GLN A 69 1.510 13.107 -2.299 1.00 0.00 H new ATOM 0 HA GLN A 69 2.319 14.148 0.153 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.039 14.146 -1.431 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -0.494 13.261 -0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 69 1.016 15.808 0.435 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.619 15.934 -0.184 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -1.695 16.713 1.573 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -1.804 15.866 3.120 1.00 0.00 H new ATOM 1076 N HIS A 70 0.813 11.220 0.503 1.00 0.00 N ATOM 1077 CA HIS A 70 0.696 10.071 1.394 1.00 0.00 C ATOM 1078 C HIS A 70 2.040 9.364 1.499 1.00 0.00 C ATOM 1079 O HIS A 70 2.544 9.116 2.594 1.00 0.00 O ATOM 1080 CB HIS A 70 -0.368 9.099 0.880 1.00 0.00 C ATOM 1081 CG HIS A 70 -1.744 9.685 0.842 1.00 0.00 C ATOM 1082 ND1 HIS A 70 -2.421 10.094 1.972 1.00 0.00 N ATOM 1083 CD2 HIS A 70 -2.573 9.936 -0.200 1.00 0.00 C ATOM 1084 CE1 HIS A 70 -3.604 10.567 1.628 1.00 0.00 C ATOM 1085 NE2 HIS A 70 -3.721 10.483 0.316 1.00 0.00 N ATOM 0 H HIS A 70 0.237 11.166 -0.337 1.00 0.00 H new ATOM 0 HA HIS A 70 0.395 10.422 2.381 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -0.094 8.770 -0.122 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -0.376 8.213 1.515 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.368 9.742 -1.243 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -4.350 10.957 2.305 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -4.533 10.777 -0.227 1.00 0.00 H new ATOM 1093 N TYR A 71 2.617 9.055 0.348 1.00 0.00 N ATOM 1094 CA TYR A 71 3.910 8.389 0.288 1.00 0.00 C ATOM 1095 C TYR A 71 5.001 9.232 0.961 1.00 0.00 C ATOM 1096 O TYR A 71 6.085 8.728 1.256 1.00 0.00 O ATOM 1097 CB TYR A 71 4.254 8.095 -1.176 1.00 0.00 C ATOM 1098 CG TYR A 71 5.730 7.917 -1.466 1.00 0.00 C ATOM 1099 CD1 TYR A 71 6.459 6.894 -0.874 1.00 0.00 C ATOM 1100 CD2 TYR A 71 6.386 8.771 -2.341 1.00 0.00 C ATOM 1101 CE1 TYR A 71 7.804 6.729 -1.146 1.00 0.00 C ATOM 1102 CE2 TYR A 71 7.728 8.612 -2.620 1.00 0.00 C ATOM 1103 CZ TYR A 71 8.433 7.589 -2.020 1.00 0.00 C ATOM 1104 OH TYR A 71 9.772 7.426 -2.295 1.00 0.00 O ATOM 0 H TYR A 71 2.207 9.256 -0.564 1.00 0.00 H new ATOM 0 HA TYR A 71 3.855 7.449 0.837 1.00 0.00 H new ATOM 0 HB2 TYR A 71 3.728 7.191 -1.482 1.00 0.00 H new ATOM 0 HB3 TYR A 71 3.874 8.909 -1.793 1.00 0.00 H new ATOM 0 HD1 TYR A 71 5.968 6.217 -0.191 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.837 9.573 -2.811 1.00 0.00 H new ATOM 0 HE1 TYR A 71 8.359 5.930 -0.676 1.00 0.00 H new ATOM 0 HE2 TYR A 71 8.224 9.285 -3.304 1.00 0.00 H new ATOM 0 HH TYR A 71 10.061 8.113 -2.931 1.00 0.00 H new ATOM 1114 N LYS A 72 4.707 10.511 1.209 1.00 0.00 N ATOM 1115 CA LYS A 72 5.666 11.407 1.853 1.00 0.00 C ATOM 1116 C LYS A 72 5.865 11.032 3.318 1.00 0.00 C ATOM 1117 O LYS A 72 6.979 10.740 3.748 1.00 0.00 O ATOM 1118 CB LYS A 72 5.199 12.860 1.760 1.00 0.00 C ATOM 1119 CG LYS A 72 6.254 13.863 2.196 1.00 0.00 C ATOM 1120 CD LYS A 72 5.691 14.873 3.180 1.00 0.00 C ATOM 1121 CE LYS A 72 6.705 15.958 3.501 1.00 0.00 C ATOM 1122 NZ LYS A 72 6.412 17.223 2.773 1.00 0.00 N ATOM 0 H LYS A 72 3.815 10.947 0.974 1.00 0.00 H new ATOM 0 HA LYS A 72 6.616 11.302 1.328 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.907 13.075 0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 72 4.310 12.988 2.377 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.091 13.336 2.654 1.00 0.00 H new ATOM 0 HG3 LYS A 72 6.645 14.384 1.322 1.00 0.00 H new ATOM 0 HD2 LYS A 72 4.791 15.326 2.764 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.397 14.364 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.706 16.148 4.574 1.00 0.00 H new ATOM 0 HE3 LYS A 72 7.704 15.611 3.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.126 17.938 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.436 17.047 1.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 5.469 17.568 3.043 1.00 0.00 H new ATOM 1136 N GLU A 73 4.777 11.049 4.085 1.00 0.00 N ATOM 1137 CA GLU A 73 4.839 10.713 5.506 1.00 0.00 C ATOM 1138 C GLU A 73 5.533 9.372 5.708 1.00 0.00 C ATOM 1139 O GLU A 73 6.298 9.188 6.657 1.00 0.00 O ATOM 1140 CB GLU A 73 3.432 10.660 6.104 1.00 0.00 C ATOM 1141 CG GLU A 73 2.999 11.960 6.763 1.00 0.00 C ATOM 1142 CD GLU A 73 2.091 12.792 5.878 1.00 0.00 C ATOM 1143 OE1 GLU A 73 1.574 12.250 4.878 1.00 0.00 O ATOM 1144 OE2 GLU A 73 1.894 13.985 6.186 1.00 0.00 O ATOM 0 H GLU A 73 3.845 11.291 3.748 1.00 0.00 H new ATOM 0 HA GLU A 73 5.412 11.488 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.721 10.408 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.390 9.858 6.841 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.483 11.735 7.696 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.883 12.544 7.020 1.00 0.00 H new ATOM 1151 N ALA A 74 5.258 8.440 4.805 1.00 0.00 N ATOM 1152 CA ALA A 74 5.849 7.114 4.865 1.00 0.00 C ATOM 1153 C ALA A 74 7.320 7.159 4.473 1.00 0.00 C ATOM 1154 O ALA A 74 8.141 6.417 5.011 1.00 0.00 O ATOM 1155 CB ALA A 74 5.084 6.169 3.957 1.00 0.00 C ATOM 0 H ALA A 74 4.625 8.582 4.018 1.00 0.00 H new ATOM 0 HA ALA A 74 5.786 6.749 5.890 1.00 0.00 H new ATOM 0 HB1 ALA A 74 5.531 5.176 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.045 6.115 4.281 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.126 6.536 2.932 1.00 0.00 H new ATOM 1161 N SER A 75 7.648 8.047 3.539 1.00 0.00 N ATOM 1162 CA SER A 75 9.027 8.196 3.091 1.00 0.00 C ATOM 1163 C SER A 75 9.927 8.482 4.291 1.00 0.00 C ATOM 1164 O SER A 75 10.932 7.807 4.500 1.00 0.00 O ATOM 1165 CB SER A 75 9.136 9.305 2.045 1.00 0.00 C ATOM 1166 OG SER A 75 10.489 9.602 1.751 1.00 0.00 O ATOM 0 H SER A 75 6.982 8.670 3.081 1.00 0.00 H new ATOM 0 HA SER A 75 9.354 7.268 2.623 1.00 0.00 H new ATOM 0 HB2 SER A 75 8.622 9.000 1.134 1.00 0.00 H new ATOM 0 HB3 SER A 75 8.635 10.202 2.409 1.00 0.00 H new ATOM 0 HG SER A 75 10.529 10.313 1.078 1.00 0.00 H new ATOM 1172 N ALA A 76 9.548 9.478 5.089 1.00 0.00 N ATOM 1173 CA ALA A 76 10.314 9.833 6.283 1.00 0.00 C ATOM 1174 C ALA A 76 10.649 8.580 7.092 1.00 0.00 C ATOM 1175 O ALA A 76 11.780 8.397 7.542 1.00 0.00 O ATOM 1176 CB ALA A 76 9.534 10.826 7.133 1.00 0.00 C ATOM 0 H ALA A 76 8.719 10.052 4.932 1.00 0.00 H new ATOM 0 HA ALA A 76 11.248 10.302 5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.115 11.082 8.019 1.00 0.00 H new ATOM 0 HB2 ALA A 76 9.340 11.728 6.553 1.00 0.00 H new ATOM 0 HB3 ALA A 76 8.587 10.380 7.437 1.00 0.00 H new ATOM 1182 N ALA A 77 9.654 7.709 7.244 1.00 0.00 N ATOM 1183 CA ALA A 77 9.834 6.453 7.967 1.00 0.00 C ATOM 1184 C ALA A 77 10.603 5.457 7.101 1.00 0.00 C ATOM 1185 O ALA A 77 11.294 4.574 7.607 1.00 0.00 O ATOM 1186 CB ALA A 77 8.488 5.879 8.383 1.00 0.00 C ATOM 0 H ALA A 77 8.714 7.851 6.875 1.00 0.00 H new ATOM 0 HA ALA A 77 10.412 6.647 8.870 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.642 4.943 8.920 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.974 6.589 9.031 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.882 5.693 7.496 1.00 0.00 H new ATOM 1192 N TYR A 78 10.493 5.636 5.787 1.00 0.00 N ATOM 1193 CA TYR A 78 11.189 4.788 4.823 1.00 0.00 C ATOM 1194 C TYR A 78 12.670 4.709 5.177 1.00 0.00 C ATOM 1195 O TYR A 78 13.232 3.625 5.333 1.00 0.00 O ATOM 1196 CB TYR A 78 11.019 5.365 3.411 1.00 0.00 C ATOM 1197 CG TYR A 78 11.333 4.403 2.284 1.00 0.00 C ATOM 1198 CD1 TYR A 78 12.337 3.455 2.408 1.00 0.00 C ATOM 1199 CD2 TYR A 78 10.621 4.454 1.089 1.00 0.00 C ATOM 1200 CE1 TYR A 78 12.628 2.585 1.382 1.00 0.00 C ATOM 1201 CE2 TYR A 78 10.902 3.586 0.049 1.00 0.00 C ATOM 1202 CZ TYR A 78 11.910 2.651 0.202 1.00 0.00 C ATOM 1203 OH TYR A 78 12.204 1.782 -0.824 1.00 0.00 O ATOM 0 H TYR A 78 9.923 6.368 5.363 1.00 0.00 H new ATOM 0 HA TYR A 78 10.763 3.785 4.854 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.992 5.711 3.298 1.00 0.00 H new ATOM 0 HB3 TYR A 78 11.662 6.239 3.312 1.00 0.00 H new ATOM 0 HD1 TYR A 78 12.901 3.398 3.327 1.00 0.00 H new ATOM 0 HD2 TYR A 78 9.835 5.185 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 78 13.414 1.854 1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 78 10.341 3.638 -0.872 1.00 0.00 H new ATOM 0 HH TYR A 78 11.609 1.958 -1.582 1.00 0.00 H new ATOM 1213 N GLU A 79 13.291 5.875 5.304 1.00 0.00 N ATOM 1214 CA GLU A 79 14.705 5.957 5.637 1.00 0.00 C ATOM 1215 C GLU A 79 14.983 5.349 7.009 1.00 0.00 C ATOM 1216 O GLU A 79 16.009 4.701 7.215 1.00 0.00 O ATOM 1217 CB GLU A 79 15.171 7.412 5.587 1.00 0.00 C ATOM 1218 CG GLU A 79 15.313 7.945 4.170 1.00 0.00 C ATOM 1219 CD GLU A 79 16.740 7.893 3.664 1.00 0.00 C ATOM 1220 OE1 GLU A 79 17.554 7.152 4.257 1.00 0.00 O ATOM 1221 OE2 GLU A 79 17.045 8.591 2.674 1.00 0.00 O ATOM 0 H GLU A 79 12.835 6.779 5.181 1.00 0.00 H new ATOM 0 HA GLU A 79 15.266 5.382 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 79 14.461 8.033 6.133 1.00 0.00 H new ATOM 0 HB3 GLU A 79 16.130 7.498 6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 79 14.674 7.366 3.503 1.00 0.00 H new ATOM 0 HG3 GLU A 79 14.958 8.975 4.137 1.00 0.00 H new ATOM 1228 N SER A 80 14.067 5.563 7.945 1.00 0.00 N ATOM 1229 CA SER A 80 14.218 5.038 9.292 1.00 0.00 C ATOM 1230 C SER A 80 14.332 3.513 9.287 1.00 0.00 C ATOM 1231 O SER A 80 15.250 2.951 9.883 1.00 0.00 O ATOM 1232 CB SER A 80 13.043 5.474 10.171 1.00 0.00 C ATOM 1233 OG SER A 80 13.451 6.440 11.124 1.00 0.00 O ATOM 0 H SER A 80 13.211 6.097 7.794 1.00 0.00 H new ATOM 0 HA SER A 80 15.141 5.445 9.704 1.00 0.00 H new ATOM 0 HB2 SER A 80 12.251 5.887 9.546 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.626 4.607 10.683 1.00 0.00 H new ATOM 0 HG SER A 80 12.683 6.704 11.672 1.00 0.00 H new ATOM 1239 N PHE A 81 13.389 2.849 8.624 1.00 0.00 N ATOM 1240 CA PHE A 81 13.386 1.390 8.561 1.00 0.00 C ATOM 1241 C PHE A 81 14.552 0.854 7.732 1.00 0.00 C ATOM 1242 O PHE A 81 15.194 -0.122 8.119 1.00 0.00 O ATOM 1243 CB PHE A 81 12.061 0.883 7.989 1.00 0.00 C ATOM 1244 CG PHE A 81 10.921 0.927 8.970 1.00 0.00 C ATOM 1245 CD1 PHE A 81 10.424 2.140 9.422 1.00 0.00 C ATOM 1246 CD2 PHE A 81 10.343 -0.243 9.435 1.00 0.00 C ATOM 1247 CE1 PHE A 81 9.374 2.183 10.320 1.00 0.00 C ATOM 1248 CE2 PHE A 81 9.293 -0.206 10.333 1.00 0.00 C ATOM 1249 CZ PHE A 81 8.807 1.009 10.776 1.00 0.00 C ATOM 0 H PHE A 81 12.620 3.296 8.125 1.00 0.00 H new ATOM 0 HA PHE A 81 13.504 1.021 9.580 1.00 0.00 H new ATOM 0 HB2 PHE A 81 11.800 1.481 7.116 1.00 0.00 H new ATOM 0 HB3 PHE A 81 12.193 -0.143 7.645 1.00 0.00 H new ATOM 0 HD1 PHE A 81 10.862 3.062 9.068 1.00 0.00 H new ATOM 0 HD2 PHE A 81 10.718 -1.196 9.092 1.00 0.00 H new ATOM 0 HE1 PHE A 81 8.997 3.134 10.665 1.00 0.00 H new ATOM 0 HE2 PHE A 81 8.853 -1.126 10.688 1.00 0.00 H new ATOM 0 HZ PHE A 81 7.986 1.041 11.477 1.00 0.00 H new ATOM 1259 N LYS A 82 14.823 1.483 6.590 1.00 0.00 N ATOM 1260 CA LYS A 82 15.915 1.041 5.727 1.00 0.00 C ATOM 1261 C LYS A 82 17.274 1.324 6.372 1.00 0.00 C ATOM 1262 O LYS A 82 18.210 0.537 6.233 1.00 0.00 O ATOM 1263 CB LYS A 82 15.833 1.707 4.350 1.00 0.00 C ATOM 1264 CG LYS A 82 15.949 3.218 4.393 1.00 0.00 C ATOM 1265 CD LYS A 82 17.398 3.676 4.301 1.00 0.00 C ATOM 1266 CE LYS A 82 17.810 3.976 2.870 1.00 0.00 C ATOM 1267 NZ LYS A 82 19.289 3.912 2.699 1.00 0.00 N ATOM 0 H LYS A 82 14.307 2.292 6.244 1.00 0.00 H new ATOM 0 HA LYS A 82 15.814 -0.036 5.595 1.00 0.00 H new ATOM 0 HB2 LYS A 82 16.626 1.309 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 82 14.886 1.438 3.882 1.00 0.00 H new ATOM 0 HG2 LYS A 82 15.378 3.650 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 82 15.508 3.590 5.318 1.00 0.00 H new ATOM 0 HD2 LYS A 82 17.536 4.568 4.913 1.00 0.00 H new ATOM 0 HD3 LYS A 82 18.049 2.904 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 82 17.334 3.263 2.197 1.00 0.00 H new ATOM 0 HE3 LYS A 82 17.453 4.967 2.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 19.534 4.122 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 19.741 4.610 3.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 19.626 2.959 2.944 1.00 0.00 H new