USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 382 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.541 USER MOD Single : A 22 GLN : amide:sc= -1.7 K(o=-1.7,f=-2.7) USER MOD Single : A 27 GLN : amide:sc= -5.28! C(o=-5.3!,f=-12!) USER MOD Single : A 29 SER OG : rot 81:sc= -0.744 USER MOD Single : A 32 ASN : amide:sc= 1.18 K(o=1.2,f=-0.042) USER MOD Single : A 33 SER OG : rot 33:sc= 0.898 USER MOD Single : A 34 SER OG : rot 180:sc= -0.0216 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.916 USER MOD Single : A 42 ASN : amide:sc= -0.0643 X(o=-0.064,f=-0.13) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 48 THR OG1 : rot -53:sc= 0.186 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 74:sc= 0.567 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 258 N THR A 19 7.573 -5.952 -7.207 1.00 0.00 N ATOM 259 CA THR A 19 6.916 -5.864 -8.505 1.00 0.00 C ATOM 260 C THR A 19 5.710 -4.934 -8.449 1.00 0.00 C ATOM 261 O THR A 19 5.289 -4.512 -7.372 1.00 0.00 O ATOM 262 CB THR A 19 6.458 -7.250 -8.998 1.00 0.00 C ATOM 263 OG1 THR A 19 5.126 -7.516 -8.546 1.00 0.00 O ATOM 264 CG2 THR A 19 7.395 -8.339 -8.497 1.00 0.00 C ATOM 0 HA THR A 19 7.650 -5.462 -9.204 1.00 0.00 H new ATOM 0 HB THR A 19 6.478 -7.248 -10.088 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.842 -8.398 -8.865 1.00 0.00 H new ATOM 0 HG21 THR A 19 7.052 -9.309 -8.858 1.00 0.00 H new ATOM 0 HG22 THR A 19 8.403 -8.150 -8.867 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.403 -8.339 -7.407 1.00 0.00 H new ATOM 272 N ALA A 20 5.157 -4.618 -9.615 1.00 0.00 N ATOM 273 CA ALA A 20 3.997 -3.739 -9.698 1.00 0.00 C ATOM 274 C ALA A 20 2.784 -4.367 -9.020 1.00 0.00 C ATOM 275 O ALA A 20 2.153 -3.750 -8.162 1.00 0.00 O ATOM 276 CB ALA A 20 3.683 -3.415 -11.151 1.00 0.00 C ATOM 0 H ALA A 20 5.494 -4.958 -10.516 1.00 0.00 H new ATOM 0 HA ALA A 20 4.235 -2.813 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.815 -2.758 -11.198 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.539 -2.918 -11.606 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.470 -4.337 -11.692 1.00 0.00 H new ATOM 282 N GLU A 21 2.462 -5.596 -9.412 1.00 0.00 N ATOM 283 CA GLU A 21 1.323 -6.305 -8.842 1.00 0.00 C ATOM 284 C GLU A 21 1.456 -6.419 -7.326 1.00 0.00 C ATOM 285 O GLU A 21 0.499 -6.178 -6.590 1.00 0.00 O ATOM 286 CB GLU A 21 1.200 -7.699 -9.460 1.00 0.00 C ATOM 287 CG GLU A 21 -0.231 -8.200 -9.553 1.00 0.00 C ATOM 288 CD GLU A 21 -0.899 -7.819 -10.861 1.00 0.00 C ATOM 289 OE1 GLU A 21 -0.237 -7.921 -11.915 1.00 0.00 O ATOM 290 OE2 GLU A 21 -2.081 -7.420 -10.830 1.00 0.00 O ATOM 0 H GLU A 21 2.974 -6.121 -10.121 1.00 0.00 H new ATOM 0 HA GLU A 21 0.422 -5.734 -9.069 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.636 -7.684 -10.459 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.784 -8.403 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.240 -9.285 -9.447 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.809 -7.794 -8.723 1.00 0.00 H new ATOM 297 N GLN A 22 2.648 -6.787 -6.868 1.00 0.00 N ATOM 298 CA GLN A 22 2.905 -6.934 -5.441 1.00 0.00 C ATOM 299 C GLN A 22 2.644 -5.625 -4.703 1.00 0.00 C ATOM 300 O GLN A 22 2.075 -5.618 -3.611 1.00 0.00 O ATOM 301 CB GLN A 22 4.347 -7.387 -5.205 1.00 0.00 C ATOM 302 CG GLN A 22 4.620 -8.811 -5.661 1.00 0.00 C ATOM 303 CD GLN A 22 5.787 -9.445 -4.930 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.619 -8.751 -4.346 1.00 0.00 O ATOM 305 NE2 GLN A 22 5.853 -10.771 -4.957 1.00 0.00 N ATOM 0 H GLN A 22 3.451 -6.989 -7.464 1.00 0.00 H new ATOM 0 HA GLN A 22 2.225 -7.692 -5.051 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.022 -6.711 -5.730 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.576 -7.305 -4.142 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.727 -9.416 -5.505 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.823 -8.813 -6.732 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.141 -11.307 -5.453 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.615 -11.253 -4.481 1.00 0.00 H new ATOM 314 N LEU A 23 3.064 -4.518 -5.306 1.00 0.00 N ATOM 315 CA LEU A 23 2.876 -3.202 -4.705 1.00 0.00 C ATOM 316 C LEU A 23 1.407 -2.792 -4.740 1.00 0.00 C ATOM 317 O LEU A 23 0.783 -2.592 -3.698 1.00 0.00 O ATOM 318 CB LEU A 23 3.725 -2.160 -5.436 1.00 0.00 C ATOM 319 CG LEU A 23 5.158 -1.988 -4.931 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.891 -0.939 -5.752 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.163 -1.614 -3.457 1.00 0.00 C ATOM 0 H LEU A 23 3.537 -4.505 -6.210 1.00 0.00 H new ATOM 0 HA LEU A 23 3.194 -3.256 -3.664 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.763 -2.427 -6.492 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.219 -1.197 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 23 5.679 -2.938 -5.045 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.909 -0.830 -5.378 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.919 -1.249 -6.797 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.371 0.015 -5.671 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.191 -1.496 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.624 -0.677 -3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.677 -2.401 -2.880 1.00 0.00 H new ATOM 333 N ARG A 24 0.860 -2.672 -5.946 1.00 0.00 N ATOM 334 CA ARG A 24 -0.536 -2.288 -6.117 1.00 0.00 C ATOM 335 C ARG A 24 -1.398 -2.859 -4.994 1.00 0.00 C ATOM 336 O ARG A 24 -2.137 -2.130 -4.333 1.00 0.00 O ATOM 337 CB ARG A 24 -1.058 -2.770 -7.471 1.00 0.00 C ATOM 338 CG ARG A 24 -2.560 -2.611 -7.637 1.00 0.00 C ATOM 339 CD ARG A 24 -2.986 -2.815 -9.082 1.00 0.00 C ATOM 340 NE ARG A 24 -4.298 -2.233 -9.354 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.708 -1.881 -10.567 1.00 0.00 C ATOM 342 NH1 ARG A 24 -3.914 -2.052 -11.615 1.00 0.00 N ATOM 343 NH2 ARG A 24 -5.916 -1.357 -10.734 1.00 0.00 N ATOM 0 H ARG A 24 1.363 -2.835 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.595 -1.200 -6.080 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.553 -2.217 -8.263 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.796 -3.820 -7.599 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.076 -3.330 -7.000 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.861 -1.617 -7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.246 -2.366 -9.745 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.009 -3.882 -9.306 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.934 -2.089 -8.569 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.985 -2.455 -11.491 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.232 -1.781 -12.545 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.530 -1.224 -9.930 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.230 -1.087 -11.666 1.00 0.00 H new ATOM 357 N VAL A 25 -1.299 -4.168 -4.786 1.00 0.00 N ATOM 358 CA VAL A 25 -2.068 -4.837 -3.744 1.00 0.00 C ATOM 359 C VAL A 25 -1.739 -4.270 -2.368 1.00 0.00 C ATOM 360 O VAL A 25 -2.604 -3.712 -1.691 1.00 0.00 O ATOM 361 CB VAL A 25 -1.805 -6.354 -3.739 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.608 -7.032 -2.639 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.132 -6.956 -5.097 1.00 0.00 C ATOM 0 H VAL A 25 -0.693 -4.786 -5.326 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.121 -4.659 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.747 -6.521 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.409 -8.104 -2.651 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.320 -6.620 -1.672 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.671 -6.858 -2.805 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.940 -8.029 -5.075 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.182 -6.780 -5.330 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.508 -6.491 -5.861 1.00 0.00 H new ATOM 373 N LEU A 26 -0.484 -4.416 -1.959 1.00 0.00 N ATOM 374 CA LEU A 26 -0.038 -3.918 -0.662 1.00 0.00 C ATOM 375 C LEU A 26 -0.490 -2.477 -0.448 1.00 0.00 C ATOM 376 O LEU A 26 -1.222 -2.180 0.495 1.00 0.00 O ATOM 377 CB LEU A 26 1.485 -4.009 -0.555 1.00 0.00 C ATOM 378 CG LEU A 26 2.090 -5.399 -0.751 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.510 -5.293 -1.284 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.065 -6.181 0.555 1.00 0.00 C ATOM 0 H LEU A 26 0.244 -4.875 -2.507 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.488 -4.539 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.922 -3.337 -1.294 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.783 -3.640 0.427 1.00 0.00 H new ATOM 0 HG LEU A 26 1.488 -5.936 -1.484 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.924 -6.292 -1.417 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.501 -4.773 -2.242 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.124 -4.737 -0.575 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.500 -7.168 0.396 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.642 -5.647 1.310 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.035 -6.288 0.895 1.00 0.00 H new ATOM 392 N GLN A 27 -0.050 -1.587 -1.332 1.00 0.00 N ATOM 393 CA GLN A 27 -0.410 -0.177 -1.240 1.00 0.00 C ATOM 394 C GLN A 27 -1.913 -0.012 -1.040 1.00 0.00 C ATOM 395 O GLN A 27 -2.360 0.897 -0.340 1.00 0.00 O ATOM 396 CB GLN A 27 0.033 0.568 -2.500 1.00 0.00 C ATOM 397 CG GLN A 27 0.388 2.025 -2.252 1.00 0.00 C ATOM 398 CD GLN A 27 -0.837 2.906 -2.102 1.00 0.00 C ATOM 399 OE1 GLN A 27 -0.969 3.643 -1.124 1.00 0.00 O ATOM 400 NE2 GLN A 27 -1.740 2.835 -3.072 1.00 0.00 N ATOM 0 H GLN A 27 0.556 -1.817 -2.120 1.00 0.00 H new ATOM 0 HA GLN A 27 0.103 0.247 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.897 0.060 -2.928 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.765 0.518 -3.241 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.996 2.099 -1.351 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.996 2.393 -3.078 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.590 2.210 -3.864 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.584 3.405 -3.025 1.00 0.00 H new ATOM 409 N ALA A 28 -2.689 -0.896 -1.659 1.00 0.00 N ATOM 410 CA ALA A 28 -4.141 -0.848 -1.547 1.00 0.00 C ATOM 411 C ALA A 28 -4.599 -1.277 -0.158 1.00 0.00 C ATOM 412 O ALA A 28 -5.481 -0.656 0.435 1.00 0.00 O ATOM 413 CB ALA A 28 -4.781 -1.728 -2.611 1.00 0.00 C ATOM 0 H ALA A 28 -2.336 -1.654 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.459 0.183 -1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.866 -1.683 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.488 -1.375 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.448 -2.758 -2.480 1.00 0.00 H new ATOM 419 N SER A 29 -3.995 -2.344 0.357 1.00 0.00 N ATOM 420 CA SER A 29 -4.344 -2.859 1.675 1.00 0.00 C ATOM 421 C SER A 29 -3.875 -1.908 2.772 1.00 0.00 C ATOM 422 O SER A 29 -4.684 -1.342 3.507 1.00 0.00 O ATOM 423 CB SER A 29 -3.727 -4.243 1.886 1.00 0.00 C ATOM 424 OG SER A 29 -4.595 -5.264 1.425 1.00 0.00 O ATOM 0 H SER A 29 -3.261 -2.868 -0.119 1.00 0.00 H new ATOM 0 HA SER A 29 -5.430 -2.941 1.729 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.775 -4.305 1.358 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.515 -4.392 2.945 1.00 0.00 H new ATOM 0 HG SER A 29 -4.508 -5.353 0.453 1.00 0.00 H new ATOM 430 N PHE A 30 -2.561 -1.737 2.876 1.00 0.00 N ATOM 431 CA PHE A 30 -1.981 -0.856 3.883 1.00 0.00 C ATOM 432 C PHE A 30 -2.840 0.391 4.073 1.00 0.00 C ATOM 433 O PHE A 30 -3.153 0.778 5.199 1.00 0.00 O ATOM 434 CB PHE A 30 -0.560 -0.454 3.483 1.00 0.00 C ATOM 435 CG PHE A 30 -0.027 0.716 4.259 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.531 0.534 5.514 1.00 0.00 C ATOM 437 CD2 PHE A 30 -0.083 1.996 3.733 1.00 0.00 C ATOM 438 CE1 PHE A 30 1.022 1.610 6.231 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.407 3.075 4.445 1.00 0.00 C ATOM 440 CZ PHE A 30 0.961 2.881 5.695 1.00 0.00 C ATOM 0 H PHE A 30 -1.878 -2.197 2.275 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.945 -1.399 4.827 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.104 -1.307 3.625 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.545 -0.212 2.420 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.583 -0.458 5.937 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.514 2.153 2.755 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.453 1.456 7.209 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.357 4.068 4.024 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.346 3.722 6.252 1.00 0.00 H new ATOM 450 N LEU A 31 -3.217 1.017 2.963 1.00 0.00 N ATOM 451 CA LEU A 31 -4.039 2.221 3.006 1.00 0.00 C ATOM 452 C LEU A 31 -5.363 1.952 3.713 1.00 0.00 C ATOM 453 O LEU A 31 -5.855 2.789 4.469 1.00 0.00 O ATOM 454 CB LEU A 31 -4.300 2.735 1.588 1.00 0.00 C ATOM 455 CG LEU A 31 -3.172 3.546 0.950 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.488 3.844 -0.507 1.00 0.00 C ATOM 457 CD2 LEU A 31 -2.940 4.836 1.722 1.00 0.00 C ATOM 0 H LEU A 31 -2.967 0.711 2.023 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.497 2.981 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.513 1.880 0.947 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.199 3.352 1.606 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.258 2.954 0.989 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.674 4.422 -0.945 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.603 2.908 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.414 4.416 -0.569 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.134 5.400 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.852 5.433 1.716 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.668 4.600 2.751 1.00 0.00 H new ATOM 469 N ASN A 32 -5.934 0.778 3.463 1.00 0.00 N ATOM 470 CA ASN A 32 -7.200 0.397 4.078 1.00 0.00 C ATOM 471 C ASN A 32 -7.029 0.160 5.575 1.00 0.00 C ATOM 472 O ASN A 32 -7.951 0.383 6.359 1.00 0.00 O ATOM 473 CB ASN A 32 -7.757 -0.862 3.411 1.00 0.00 C ATOM 474 CG ASN A 32 -8.684 -0.543 2.255 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.869 -0.271 2.452 1.00 0.00 O ATOM 476 ND2 ASN A 32 -8.149 -0.574 1.040 1.00 0.00 N ATOM 0 H ASN A 32 -5.540 0.074 2.839 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.904 1.217 3.937 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -6.931 -1.475 3.052 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -8.295 -1.454 4.151 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -8.725 -0.367 0.224 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -7.162 -0.804 0.923 1.00 0.00 H new ATOM 483 N SER A 33 -5.842 -0.293 5.965 1.00 0.00 N ATOM 484 CA SER A 33 -5.550 -0.564 7.368 1.00 0.00 C ATOM 485 C SER A 33 -4.044 -0.636 7.605 1.00 0.00 C ATOM 486 O SER A 33 -3.394 -1.616 7.241 1.00 0.00 O ATOM 487 CB SER A 33 -6.210 -1.873 7.805 1.00 0.00 C ATOM 488 OG SER A 33 -5.711 -2.969 7.059 1.00 0.00 O ATOM 0 H SER A 33 -5.067 -0.480 5.329 1.00 0.00 H new ATOM 0 HA SER A 33 -5.955 0.255 7.963 1.00 0.00 H new ATOM 0 HB2 SER A 33 -6.028 -2.039 8.867 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.290 -1.801 7.674 1.00 0.00 H new ATOM 0 HG SER A 33 -4.770 -2.810 6.834 1.00 0.00 H new ATOM 494 N SER A 34 -3.497 0.409 8.218 1.00 0.00 N ATOM 495 CA SER A 34 -2.068 0.466 8.501 1.00 0.00 C ATOM 496 C SER A 34 -1.614 -0.777 9.261 1.00 0.00 C ATOM 497 O SER A 34 -0.631 -1.419 8.892 1.00 0.00 O ATOM 498 CB SER A 34 -1.737 1.722 9.311 1.00 0.00 C ATOM 499 OG SER A 34 -2.514 1.785 10.494 1.00 0.00 O ATOM 0 H SER A 34 -4.022 1.227 8.528 1.00 0.00 H new ATOM 0 HA SER A 34 -1.536 0.504 7.551 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.678 1.724 9.567 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.920 2.609 8.704 1.00 0.00 H new ATOM 0 HG SER A 34 -2.283 2.595 10.995 1.00 0.00 H new ATOM 505 N VAL A 35 -2.338 -1.110 10.325 1.00 0.00 N ATOM 506 CA VAL A 35 -2.012 -2.276 11.137 1.00 0.00 C ATOM 507 C VAL A 35 -2.398 -3.567 10.425 1.00 0.00 C ATOM 508 O VAL A 35 -3.579 -3.836 10.201 1.00 0.00 O ATOM 509 CB VAL A 35 -2.721 -2.224 12.503 1.00 0.00 C ATOM 510 CG1 VAL A 35 -4.231 -2.218 12.321 1.00 0.00 C ATOM 511 CG2 VAL A 35 -2.285 -3.393 13.374 1.00 0.00 C ATOM 0 H VAL A 35 -3.154 -0.588 10.645 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.934 -2.260 11.295 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.436 -1.300 13.006 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.715 -2.181 13.297 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.524 -1.345 11.738 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.538 -3.124 11.798 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.796 -3.341 14.336 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.539 -4.330 12.879 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.208 -3.347 13.532 1.00 0.00 H new ATOM 521 N LEU A 36 -1.395 -4.363 10.071 1.00 0.00 N ATOM 522 CA LEU A 36 -1.629 -5.629 9.383 1.00 0.00 C ATOM 523 C LEU A 36 -2.155 -6.684 10.350 1.00 0.00 C ATOM 524 O LEU A 36 -1.499 -7.022 11.337 1.00 0.00 O ATOM 525 CB LEU A 36 -0.338 -6.121 8.726 1.00 0.00 C ATOM 526 CG LEU A 36 -0.507 -7.117 7.579 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.206 -6.460 6.399 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.843 -7.678 7.157 1.00 0.00 C ATOM 0 H LEU A 36 -0.412 -4.155 10.249 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.381 -5.462 8.612 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.208 -5.255 8.352 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.284 -6.583 9.493 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.128 -7.942 7.928 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.317 -7.185 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.190 -6.108 6.709 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.612 -5.616 6.049 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.704 -8.385 6.339 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.488 -6.864 6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.306 -8.187 8.002 1.00 0.00 H new ATOM 540 N THR A 37 -3.343 -7.205 10.060 1.00 0.00 N ATOM 541 CA THR A 37 -3.958 -8.224 10.903 1.00 0.00 C ATOM 542 C THR A 37 -3.698 -9.622 10.354 1.00 0.00 C ATOM 543 O THR A 37 -3.725 -9.838 9.142 1.00 0.00 O ATOM 544 CB THR A 37 -5.478 -8.008 11.028 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.083 -8.027 9.730 1.00 0.00 O ATOM 546 CG2 THR A 37 -5.782 -6.685 11.715 1.00 0.00 C ATOM 0 H THR A 37 -3.899 -6.938 9.248 1.00 0.00 H new ATOM 0 HA THR A 37 -3.504 -8.134 11.890 1.00 0.00 H new ATOM 0 HB THR A 37 -5.889 -8.816 11.633 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.050 -7.891 9.818 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.861 -6.555 11.792 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.344 -6.684 12.713 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.358 -5.867 11.133 1.00 0.00 H new ATOM 554 N ASP A 38 -3.447 -10.568 11.252 1.00 0.00 N ATOM 555 CA ASP A 38 -3.184 -11.947 10.856 1.00 0.00 C ATOM 556 C ASP A 38 -4.003 -12.325 9.626 1.00 0.00 C ATOM 557 O ASP A 38 -3.481 -12.913 8.679 1.00 0.00 O ATOM 558 CB ASP A 38 -3.503 -12.900 12.009 1.00 0.00 C ATOM 559 CG ASP A 38 -4.951 -12.812 12.449 1.00 0.00 C ATOM 560 OD1 ASP A 38 -5.497 -11.689 12.474 1.00 0.00 O ATOM 561 OD2 ASP A 38 -5.538 -13.866 12.769 1.00 0.00 O ATOM 0 H ASP A 38 -3.420 -10.406 12.259 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.126 -12.032 10.606 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.281 -13.922 11.704 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -2.855 -12.672 12.855 1.00 0.00 H new ATOM 566 N GLU A 39 -5.288 -11.984 9.649 1.00 0.00 N ATOM 567 CA GLU A 39 -6.178 -12.291 8.536 1.00 0.00 C ATOM 568 C GLU A 39 -5.732 -11.569 7.268 1.00 0.00 C ATOM 569 O GLU A 39 -5.455 -12.199 6.248 1.00 0.00 O ATOM 570 CB GLU A 39 -7.616 -11.897 8.881 1.00 0.00 C ATOM 571 CG GLU A 39 -7.756 -10.461 9.358 1.00 0.00 C ATOM 572 CD GLU A 39 -8.902 -10.280 10.334 1.00 0.00 C ATOM 573 OE1 GLU A 39 -9.270 -11.267 11.006 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.431 -9.153 10.427 1.00 0.00 O ATOM 0 H GLU A 39 -5.735 -11.496 10.425 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.136 -13.365 8.356 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.244 -12.042 8.002 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.991 -12.566 9.655 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.826 -10.148 9.833 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.910 -9.810 8.498 1.00 0.00 H new ATOM 581 N GLU A 40 -5.666 -10.243 7.341 1.00 0.00 N ATOM 582 CA GLU A 40 -5.255 -9.435 6.198 1.00 0.00 C ATOM 583 C GLU A 40 -3.938 -9.943 5.619 1.00 0.00 C ATOM 584 O GLU A 40 -3.781 -10.048 4.401 1.00 0.00 O ATOM 585 CB GLU A 40 -5.113 -7.968 6.608 1.00 0.00 C ATOM 586 CG GLU A 40 -4.507 -7.090 5.525 1.00 0.00 C ATOM 587 CD GLU A 40 -5.490 -6.769 4.416 1.00 0.00 C ATOM 588 OE1 GLU A 40 -5.658 -7.613 3.511 1.00 0.00 O ATOM 589 OE2 GLU A 40 -6.090 -5.675 4.453 1.00 0.00 O ATOM 0 H GLU A 40 -5.892 -9.706 8.178 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.025 -9.517 5.431 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.095 -7.577 6.874 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.493 -7.908 7.502 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.153 -6.161 5.972 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.637 -7.591 5.101 1.00 0.00 H new ATOM 596 N LEU A 41 -2.993 -10.255 6.498 1.00 0.00 N ATOM 597 CA LEU A 41 -1.688 -10.752 6.076 1.00 0.00 C ATOM 598 C LEU A 41 -1.836 -11.966 5.164 1.00 0.00 C ATOM 599 O LEU A 41 -1.196 -12.050 4.117 1.00 0.00 O ATOM 600 CB LEU A 41 -0.839 -11.116 7.295 1.00 0.00 C ATOM 601 CG LEU A 41 0.669 -11.211 7.060 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.413 -11.280 8.384 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.998 -12.421 6.197 1.00 0.00 C ATOM 0 H LEU A 41 -3.106 -10.173 7.508 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.189 -9.960 5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.019 -10.374 8.073 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.187 -12.074 7.682 1.00 0.00 H new ATOM 0 HG LEU A 41 0.993 -10.314 6.532 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.485 -11.347 8.196 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.202 -10.383 8.967 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.086 -12.159 8.940 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.075 -12.474 6.040 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.660 -13.328 6.698 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.495 -12.329 5.235 1.00 0.00 H new ATOM 615 N ASN A 42 -2.687 -12.903 5.569 1.00 0.00 N ATOM 616 CA ASN A 42 -2.921 -14.112 4.787 1.00 0.00 C ATOM 617 C ASN A 42 -3.249 -13.767 3.338 1.00 0.00 C ATOM 618 O ASN A 42 -2.518 -14.141 2.420 1.00 0.00 O ATOM 619 CB ASN A 42 -4.062 -14.927 5.400 1.00 0.00 C ATOM 620 CG ASN A 42 -3.596 -15.799 6.550 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.644 -16.568 6.415 1.00 0.00 O ATOM 622 ND2 ASN A 42 -4.268 -15.684 7.689 1.00 0.00 N ATOM 0 H ASN A 42 -3.226 -12.849 6.433 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.008 -14.708 4.802 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.840 -14.250 5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.511 -15.555 4.630 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.001 -16.246 8.497 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.051 -15.034 7.756 1.00 0.00 H new ATOM 629 N ARG A 43 -4.351 -13.053 3.140 1.00 0.00 N ATOM 630 CA ARG A 43 -4.776 -12.658 1.802 1.00 0.00 C ATOM 631 C ARG A 43 -3.586 -12.189 0.970 1.00 0.00 C ATOM 632 O ARG A 43 -3.259 -12.785 -0.057 1.00 0.00 O ATOM 633 CB ARG A 43 -5.825 -11.547 1.884 1.00 0.00 C ATOM 634 CG ARG A 43 -7.219 -12.049 2.220 1.00 0.00 C ATOM 635 CD ARG A 43 -8.242 -10.924 2.179 1.00 0.00 C ATOM 636 NE ARG A 43 -9.529 -11.335 2.732 1.00 0.00 N ATOM 637 CZ ARG A 43 -10.628 -10.590 2.668 1.00 0.00 C ATOM 638 NH1 ARG A 43 -10.594 -9.403 2.077 1.00 0.00 N ATOM 639 NH2 ARG A 43 -11.762 -11.032 3.195 1.00 0.00 N ATOM 0 H ARG A 43 -4.967 -12.736 3.889 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.216 -13.529 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.517 -10.823 2.639 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.858 -11.019 0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.506 -12.829 1.514 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.214 -12.502 3.211 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.863 -10.069 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.378 -10.595 1.149 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.588 -12.243 3.193 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.723 -9.060 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -11.438 -8.833 2.029 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.791 -11.944 3.650 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.605 -10.459 3.145 1.00 0.00 H new ATOM 653 N LEU A 44 -2.943 -11.117 1.419 1.00 0.00 N ATOM 654 CA LEU A 44 -1.789 -10.567 0.716 1.00 0.00 C ATOM 655 C LEU A 44 -0.745 -11.648 0.453 1.00 0.00 C ATOM 656 O LEU A 44 -0.266 -11.801 -0.671 1.00 0.00 O ATOM 657 CB LEU A 44 -1.167 -9.429 1.528 1.00 0.00 C ATOM 658 CG LEU A 44 -2.083 -8.243 1.832 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.656 -7.555 3.119 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.083 -7.258 0.673 1.00 0.00 C ATOM 0 H LEU A 44 -3.201 -10.611 2.266 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.131 -10.177 -0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.809 -9.837 2.473 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.294 -9.060 0.989 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.098 -8.617 1.964 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.319 -6.714 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.709 -8.264 3.945 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.633 -7.194 3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.740 -6.421 0.907 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.070 -6.890 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.438 -7.757 -0.229 1.00 0.00 H new ATOM 672 N ARG A 45 -0.400 -12.396 1.495 1.00 0.00 N ATOM 673 CA ARG A 45 0.585 -13.464 1.376 1.00 0.00 C ATOM 674 C ARG A 45 0.377 -14.255 0.088 1.00 0.00 C ATOM 675 O ARG A 45 1.336 -14.707 -0.537 1.00 0.00 O ATOM 676 CB ARG A 45 0.502 -14.402 2.582 1.00 0.00 C ATOM 677 CG ARG A 45 1.822 -15.069 2.927 1.00 0.00 C ATOM 678 CD ARG A 45 1.796 -15.667 4.325 1.00 0.00 C ATOM 679 NE ARG A 45 1.257 -17.025 4.330 1.00 0.00 N ATOM 680 CZ ARG A 45 1.483 -17.902 5.301 1.00 0.00 C ATOM 681 NH1 ARG A 45 2.233 -17.565 6.342 1.00 0.00 N ATOM 682 NH2 ARG A 45 0.957 -19.118 5.234 1.00 0.00 N ATOM 0 H ARG A 45 -0.788 -12.282 2.431 1.00 0.00 H new ATOM 0 HA ARG A 45 1.575 -13.008 1.347 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.153 -13.838 3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.243 -15.172 2.382 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.036 -15.852 2.199 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.629 -14.339 2.857 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.806 -15.677 4.734 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.194 -15.036 4.978 1.00 0.00 H new ATOM 0 HE ARG A 45 0.675 -17.315 3.544 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.638 -16.630 6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 45 2.405 -18.241 7.087 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.378 -19.380 4.436 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.131 -19.791 5.980 1.00 0.00 H new ATOM 696 N ALA A 46 -0.883 -14.419 -0.303 1.00 0.00 N ATOM 697 CA ALA A 46 -1.217 -15.154 -1.516 1.00 0.00 C ATOM 698 C ALA A 46 -1.233 -14.231 -2.730 1.00 0.00 C ATOM 699 O ALA A 46 -0.644 -14.542 -3.765 1.00 0.00 O ATOM 700 CB ALA A 46 -2.562 -15.847 -1.360 1.00 0.00 C ATOM 0 H ALA A 46 -1.689 -14.052 0.203 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.448 -15.910 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.799 -16.392 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.517 -16.544 -0.523 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.335 -15.102 -1.171 1.00 0.00 H new ATOM 706 N GLN A 47 -1.910 -13.095 -2.595 1.00 0.00 N ATOM 707 CA GLN A 47 -2.003 -12.128 -3.683 1.00 0.00 C ATOM 708 C GLN A 47 -0.617 -11.681 -4.134 1.00 0.00 C ATOM 709 O GLN A 47 -0.245 -11.851 -5.296 1.00 0.00 O ATOM 710 CB GLN A 47 -2.825 -10.914 -3.245 1.00 0.00 C ATOM 711 CG GLN A 47 -4.258 -11.254 -2.867 1.00 0.00 C ATOM 712 CD GLN A 47 -5.167 -11.376 -4.074 1.00 0.00 C ATOM 713 OE1 GLN A 47 -5.107 -12.357 -4.815 1.00 0.00 O ATOM 714 NE2 GLN A 47 -6.017 -10.376 -4.279 1.00 0.00 N ATOM 0 H GLN A 47 -2.402 -12.822 -1.744 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.500 -12.612 -4.524 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.335 -10.442 -2.393 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.835 -10.182 -4.052 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.270 -12.192 -2.311 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.646 -10.484 -2.201 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.033 -9.581 -3.640 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.653 -10.403 -5.076 1.00 0.00 H new ATOM 723 N THR A 48 0.146 -11.109 -3.208 1.00 0.00 N ATOM 724 CA THR A 48 1.491 -10.636 -3.511 1.00 0.00 C ATOM 725 C THR A 48 2.474 -11.798 -3.602 1.00 0.00 C ATOM 726 O THR A 48 3.586 -11.646 -4.109 1.00 0.00 O ATOM 727 CB THR A 48 1.989 -9.640 -2.448 1.00 0.00 C ATOM 728 OG1 THR A 48 2.264 -10.327 -1.222 1.00 0.00 O ATOM 729 CG2 THR A 48 0.958 -8.549 -2.203 1.00 0.00 C ATOM 0 H THR A 48 -0.145 -10.962 -2.241 1.00 0.00 H new ATOM 0 HA THR A 48 1.439 -10.131 -4.475 1.00 0.00 H new ATOM 0 HB THR A 48 2.904 -9.177 -2.817 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.477 -10.847 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.332 -7.857 -1.448 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.773 -8.008 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.028 -8.999 -1.854 1.00 0.00 H new ATOM 737 N LYS A 49 2.058 -12.959 -3.109 1.00 0.00 N ATOM 738 CA LYS A 49 2.901 -14.149 -3.136 1.00 0.00 C ATOM 739 C LYS A 49 4.182 -13.927 -2.338 1.00 0.00 C ATOM 740 O LYS A 49 5.219 -14.525 -2.629 1.00 0.00 O ATOM 741 CB LYS A 49 3.246 -14.522 -4.580 1.00 0.00 C ATOM 742 CG LYS A 49 2.027 -14.709 -5.467 1.00 0.00 C ATOM 743 CD LYS A 49 1.482 -16.125 -5.374 1.00 0.00 C ATOM 744 CE LYS A 49 2.255 -17.080 -6.269 1.00 0.00 C ATOM 745 NZ LYS A 49 1.760 -17.048 -7.673 1.00 0.00 N ATOM 0 H LYS A 49 1.141 -13.102 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 49 2.346 -14.967 -2.678 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.879 -13.744 -5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.829 -15.443 -4.579 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.252 -14.000 -5.176 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.291 -14.487 -6.501 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.535 -16.469 -4.341 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.430 -16.130 -5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 49 3.313 -16.818 -6.251 1.00 0.00 H new ATOM 0 HE3 LYS A 49 2.170 -18.094 -5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 2.313 -17.713 -8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 0.757 -17.322 -7.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.864 -16.087 -8.056 1.00 0.00 H new ATOM 759 N LEU A 50 4.103 -13.065 -1.330 1.00 0.00 N ATOM 760 CA LEU A 50 5.256 -12.765 -0.488 1.00 0.00 C ATOM 761 C LEU A 50 5.126 -13.439 0.874 1.00 0.00 C ATOM 762 O LEU A 50 4.046 -13.895 1.253 1.00 0.00 O ATOM 763 CB LEU A 50 5.402 -11.253 -0.309 1.00 0.00 C ATOM 764 CG LEU A 50 6.118 -10.510 -1.438 1.00 0.00 C ATOM 765 CD1 LEU A 50 6.058 -9.007 -1.210 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.562 -10.977 -1.552 1.00 0.00 C ATOM 0 H LEU A 50 3.253 -12.562 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 50 6.146 -13.154 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.407 -10.823 -0.192 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.941 -11.068 0.620 1.00 0.00 H new ATOM 0 HG LEU A 50 5.609 -10.735 -2.375 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.572 -8.495 -2.023 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.017 -8.685 -1.179 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.541 -8.763 -0.264 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.056 -10.438 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.083 -10.782 -0.614 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.583 -12.046 -1.763 1.00 0.00 H new ATOM 778 N THR A 51 6.232 -13.498 1.608 1.00 0.00 N ATOM 779 CA THR A 51 6.242 -14.115 2.928 1.00 0.00 C ATOM 780 C THR A 51 5.759 -13.139 3.995 1.00 0.00 C ATOM 781 O THR A 51 6.102 -11.957 3.969 1.00 0.00 O ATOM 782 CB THR A 51 7.650 -14.614 3.305 1.00 0.00 C ATOM 783 OG1 THR A 51 7.618 -15.246 4.589 1.00 0.00 O ATOM 784 CG2 THR A 51 8.645 -13.463 3.325 1.00 0.00 C ATOM 0 H THR A 51 7.134 -13.125 1.310 1.00 0.00 H new ATOM 0 HA THR A 51 5.563 -14.966 2.884 1.00 0.00 H new ATOM 0 HB THR A 51 7.969 -15.336 2.553 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.516 -15.562 4.821 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.632 -13.840 3.594 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.689 -13.003 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.328 -12.721 4.058 1.00 0.00 H new ATOM 792 N ARG A 52 4.962 -13.641 4.932 1.00 0.00 N ATOM 793 CA ARG A 52 4.431 -12.813 6.008 1.00 0.00 C ATOM 794 C ARG A 52 5.447 -11.756 6.432 1.00 0.00 C ATOM 795 O ARG A 52 5.126 -10.570 6.516 1.00 0.00 O ATOM 796 CB ARG A 52 4.051 -13.681 7.209 1.00 0.00 C ATOM 797 CG ARG A 52 5.205 -14.506 7.754 1.00 0.00 C ATOM 798 CD ARG A 52 4.714 -15.794 8.397 1.00 0.00 C ATOM 799 NE ARG A 52 5.602 -16.245 9.465 1.00 0.00 N ATOM 800 CZ ARG A 52 5.225 -17.072 10.434 1.00 0.00 C ATOM 801 NH1 ARG A 52 3.983 -17.535 10.469 1.00 0.00 N ATOM 802 NH2 ARG A 52 6.091 -17.437 11.371 1.00 0.00 N ATOM 0 H ARG A 52 4.670 -14.618 4.968 1.00 0.00 H new ATOM 0 HA ARG A 52 3.539 -12.308 5.637 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.667 -13.040 8.003 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.241 -14.351 6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.898 -14.742 6.947 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.758 -13.920 8.488 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.713 -15.640 8.799 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.636 -16.572 7.637 1.00 0.00 H new ATOM 0 HE ARG A 52 6.564 -15.907 9.467 1.00 0.00 H new ATOM 0 HH11 ARG A 52 3.314 -17.256 9.751 1.00 0.00 H new ATOM 0 HH12 ARG A 52 3.696 -18.170 11.214 1.00 0.00 H new ATOM 0 HH21 ARG A 52 7.047 -17.083 11.348 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.800 -18.072 12.114 1.00 0.00 H new ATOM 816 N ARG A 53 6.673 -12.195 6.699 1.00 0.00 N ATOM 817 CA ARG A 53 7.735 -11.287 7.115 1.00 0.00 C ATOM 818 C ARG A 53 7.803 -10.070 6.197 1.00 0.00 C ATOM 819 O ARG A 53 7.680 -8.933 6.649 1.00 0.00 O ATOM 820 CB ARG A 53 9.083 -12.012 7.119 1.00 0.00 C ATOM 821 CG ARG A 53 9.368 -12.762 8.410 1.00 0.00 C ATOM 822 CD ARG A 53 10.749 -13.397 8.392 1.00 0.00 C ATOM 823 NE ARG A 53 10.726 -14.743 7.824 1.00 0.00 N ATOM 824 CZ ARG A 53 10.312 -15.814 8.491 1.00 0.00 C ATOM 825 NH1 ARG A 53 9.889 -15.698 9.742 1.00 0.00 N ATOM 826 NH2 ARG A 53 10.320 -17.005 7.906 1.00 0.00 N ATOM 0 H ARG A 53 6.955 -13.173 6.635 1.00 0.00 H new ATOM 0 HA ARG A 53 7.510 -10.945 8.125 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.110 -12.715 6.287 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.877 -11.285 6.948 1.00 0.00 H new ATOM 0 HG2 ARG A 53 9.292 -12.077 9.254 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.613 -13.534 8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.428 -12.771 7.813 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.142 -13.439 9.408 1.00 0.00 H new ATOM 0 HE ARG A 53 11.045 -14.867 6.863 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.881 -14.784 10.195 1.00 0.00 H new ATOM 0 HH12 ARG A 53 9.572 -16.523 10.252 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.644 -17.098 6.943 1.00 0.00 H new ATOM 0 HH22 ARG A 53 10.002 -17.827 8.419 1.00 0.00 H new ATOM 840 N GLU A 54 7.999 -10.320 4.906 1.00 0.00 N ATOM 841 CA GLU A 54 8.084 -9.244 3.925 1.00 0.00 C ATOM 842 C GLU A 54 6.912 -8.278 4.075 1.00 0.00 C ATOM 843 O GLU A 54 7.077 -7.156 4.554 1.00 0.00 O ATOM 844 CB GLU A 54 8.108 -9.818 2.507 1.00 0.00 C ATOM 845 CG GLU A 54 9.389 -10.564 2.175 1.00 0.00 C ATOM 846 CD GLU A 54 10.555 -9.632 1.908 1.00 0.00 C ATOM 847 OE1 GLU A 54 10.873 -8.812 2.794 1.00 0.00 O ATOM 848 OE2 GLU A 54 11.149 -9.723 0.813 1.00 0.00 O ATOM 0 H GLU A 54 8.102 -11.257 4.516 1.00 0.00 H new ATOM 0 HA GLU A 54 9.009 -8.696 4.103 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.261 -10.493 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.975 -9.005 1.793 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.642 -11.229 3.001 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.223 -11.192 1.300 1.00 0.00 H new ATOM 855 N ILE A 55 5.730 -8.722 3.661 1.00 0.00 N ATOM 856 CA ILE A 55 4.532 -7.897 3.749 1.00 0.00 C ATOM 857 C ILE A 55 4.476 -7.148 5.075 1.00 0.00 C ATOM 858 O ILE A 55 4.450 -5.918 5.105 1.00 0.00 O ATOM 859 CB ILE A 55 3.254 -8.744 3.596 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.256 -9.472 2.250 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.018 -7.866 3.727 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.156 -10.502 2.118 1.00 0.00 C ATOM 0 H ILE A 55 5.577 -9.648 3.262 1.00 0.00 H new ATOM 0 HA ILE A 55 4.583 -7.178 2.931 1.00 0.00 H new ATOM 0 HB ILE A 55 3.233 -9.489 4.391 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.154 -8.739 1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.220 -9.962 2.113 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.123 -8.479 3.617 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.013 -7.389 4.707 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.032 -7.101 2.951 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.219 -10.978 1.139 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.269 -11.257 2.896 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.187 -10.015 2.223 1.00 0.00 H new ATOM 874 N ASP A 56 4.460 -7.898 6.172 1.00 0.00 N ATOM 875 CA ASP A 56 4.410 -7.305 7.503 1.00 0.00 C ATOM 876 C ASP A 56 5.408 -6.158 7.625 1.00 0.00 C ATOM 877 O ASP A 56 5.058 -5.061 8.058 1.00 0.00 O ATOM 878 CB ASP A 56 4.700 -8.365 8.568 1.00 0.00 C ATOM 879 CG ASP A 56 5.335 -7.776 9.812 1.00 0.00 C ATOM 880 OD1 ASP A 56 6.530 -7.417 9.754 1.00 0.00 O ATOM 881 OD2 ASP A 56 4.639 -7.676 10.844 1.00 0.00 O ATOM 0 H ASP A 56 4.481 -8.918 6.165 1.00 0.00 H new ATOM 0 HA ASP A 56 3.407 -6.908 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.771 -8.866 8.840 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.361 -9.124 8.150 1.00 0.00 H new ATOM 886 N ALA A 57 6.653 -6.420 7.239 1.00 0.00 N ATOM 887 CA ALA A 57 7.702 -5.410 7.304 1.00 0.00 C ATOM 888 C ALA A 57 7.357 -4.205 6.436 1.00 0.00 C ATOM 889 O ALA A 57 7.468 -3.060 6.874 1.00 0.00 O ATOM 890 CB ALA A 57 9.035 -6.005 6.879 1.00 0.00 C ATOM 0 H ALA A 57 6.959 -7.323 6.878 1.00 0.00 H new ATOM 0 HA ALA A 57 7.782 -5.070 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.809 -5.239 6.933 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.294 -6.829 7.543 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.959 -6.373 5.856 1.00 0.00 H new ATOM 896 N TRP A 58 6.940 -4.470 5.203 1.00 0.00 N ATOM 897 CA TRP A 58 6.580 -3.406 4.272 1.00 0.00 C ATOM 898 C TRP A 58 5.580 -2.444 4.906 1.00 0.00 C ATOM 899 O TRP A 58 5.841 -1.246 5.014 1.00 0.00 O ATOM 900 CB TRP A 58 5.994 -3.999 2.990 1.00 0.00 C ATOM 901 CG TRP A 58 5.804 -2.987 1.901 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.716 -2.625 0.950 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.630 -2.206 1.652 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.179 -1.666 0.125 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.901 -1.392 0.534 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.377 -2.116 2.262 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.963 -0.501 0.018 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.448 -1.232 1.749 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.744 -0.434 0.635 1.00 0.00 C ATOM 0 H TRP A 58 6.843 -5.412 4.825 1.00 0.00 H new ATOM 0 HA TRP A 58 7.485 -2.850 4.026 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.652 -4.790 2.630 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.034 -4.462 3.218 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.712 -3.033 0.860 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.655 -1.229 -0.664 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.139 -2.727 3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.190 0.115 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.476 -1.154 2.214 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.995 0.246 0.257 1.00 0.00 H new ATOM 920 N PHE A 59 4.436 -2.976 5.323 1.00 0.00 N ATOM 921 CA PHE A 59 3.397 -2.164 5.945 1.00 0.00 C ATOM 922 C PHE A 59 3.976 -1.304 7.064 1.00 0.00 C ATOM 923 O PHE A 59 3.729 -0.100 7.130 1.00 0.00 O ATOM 924 CB PHE A 59 2.284 -3.057 6.496 1.00 0.00 C ATOM 925 CG PHE A 59 1.288 -3.484 5.456 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.701 -4.154 4.316 1.00 0.00 C ATOM 927 CD2 PHE A 59 -0.062 -3.217 5.619 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.787 -4.547 3.357 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.981 -3.608 4.664 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.556 -4.275 3.532 1.00 0.00 C ATOM 0 H PHE A 59 4.205 -3.966 5.241 1.00 0.00 H new ATOM 0 HA PHE A 59 2.981 -1.505 5.183 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.730 -3.944 6.946 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.762 -2.524 7.291 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.749 -4.372 4.175 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.400 -2.697 6.503 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.122 -5.066 2.471 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.030 -3.392 4.803 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.272 -4.583 2.785 1.00 0.00 H new ATOM 940 N THR A 60 4.749 -1.932 7.945 1.00 0.00 N ATOM 941 CA THR A 60 5.362 -1.227 9.064 1.00 0.00 C ATOM 942 C THR A 60 6.233 -0.075 8.576 1.00 0.00 C ATOM 943 O THR A 60 6.332 0.961 9.233 1.00 0.00 O ATOM 944 CB THR A 60 6.219 -2.175 9.924 1.00 0.00 C ATOM 945 OG1 THR A 60 5.423 -3.271 10.387 1.00 0.00 O ATOM 946 CG2 THR A 60 6.816 -1.437 11.112 1.00 0.00 C ATOM 0 H THR A 60 4.965 -2.928 7.905 1.00 0.00 H new ATOM 0 HA THR A 60 4.549 -0.832 9.673 1.00 0.00 H new ATOM 0 HB THR A 60 7.033 -2.554 9.306 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.256 -3.890 9.646 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.417 -2.127 11.704 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.446 -0.622 10.755 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.014 -1.032 11.729 1.00 0.00 H new ATOM 954 N GLU A 61 6.862 -0.263 7.420 1.00 0.00 N ATOM 955 CA GLU A 61 7.725 0.763 6.845 1.00 0.00 C ATOM 956 C GLU A 61 6.899 1.909 6.269 1.00 0.00 C ATOM 957 O GLU A 61 7.149 3.078 6.561 1.00 0.00 O ATOM 958 CB GLU A 61 8.613 0.161 5.754 1.00 0.00 C ATOM 959 CG GLU A 61 8.894 1.113 4.604 1.00 0.00 C ATOM 960 CD GLU A 61 10.265 0.901 3.993 1.00 0.00 C ATOM 961 OE1 GLU A 61 11.268 1.258 4.645 1.00 0.00 O ATOM 962 OE2 GLU A 61 10.335 0.377 2.861 1.00 0.00 O ATOM 0 H GLU A 61 6.790 -1.115 6.864 1.00 0.00 H new ATOM 0 HA GLU A 61 8.357 1.158 7.641 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.559 -0.149 6.197 1.00 0.00 H new ATOM 0 HB3 GLU A 61 8.135 -0.737 5.363 1.00 0.00 H new ATOM 0 HG2 GLU A 61 8.133 0.982 3.835 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.814 2.140 4.960 1.00 0.00 H new ATOM 969 N LYS A 62 5.912 1.565 5.448 1.00 0.00 N ATOM 970 CA LYS A 62 5.047 2.562 4.830 1.00 0.00 C ATOM 971 C LYS A 62 4.659 3.643 5.834 1.00 0.00 C ATOM 972 O LYS A 62 4.570 4.822 5.491 1.00 0.00 O ATOM 973 CB LYS A 62 3.789 1.898 4.267 1.00 0.00 C ATOM 974 CG LYS A 62 3.222 2.604 3.048 1.00 0.00 C ATOM 975 CD LYS A 62 4.085 2.374 1.819 1.00 0.00 C ATOM 976 CE LYS A 62 3.302 2.608 0.536 1.00 0.00 C ATOM 977 NZ LYS A 62 3.167 4.059 0.226 1.00 0.00 N ATOM 0 H LYS A 62 5.692 0.602 5.195 1.00 0.00 H new ATOM 0 HA LYS A 62 5.599 3.030 4.014 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.020 0.866 4.004 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.026 1.866 5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.211 2.245 2.856 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.148 3.673 3.247 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.946 3.042 1.848 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.471 1.355 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.802 2.105 -0.292 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.311 2.163 0.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.628 4.177 -0.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.668 4.535 1.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.112 4.479 0.112 1.00 0.00 H new ATOM 991 N LYS A 63 4.429 3.234 7.077 1.00 0.00 N ATOM 992 CA LYS A 63 4.053 4.166 8.133 1.00 0.00 C ATOM 993 C LYS A 63 5.060 5.308 8.235 1.00 0.00 C ATOM 994 O LYS A 63 4.683 6.473 8.362 1.00 0.00 O ATOM 995 CB LYS A 63 3.956 3.437 9.475 1.00 0.00 C ATOM 996 CG LYS A 63 2.766 2.497 9.572 1.00 0.00 C ATOM 997 CD LYS A 63 2.864 1.598 10.793 1.00 0.00 C ATOM 998 CE LYS A 63 1.615 0.745 10.958 1.00 0.00 C ATOM 999 NZ LYS A 63 1.905 -0.531 11.668 1.00 0.00 N ATOM 0 H LYS A 63 4.497 2.262 7.378 1.00 0.00 H new ATOM 0 HA LYS A 63 3.078 4.585 7.883 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.872 2.868 9.637 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.892 4.174 10.276 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.845 3.078 9.620 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.710 1.885 8.672 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.738 0.952 10.702 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.010 2.208 11.685 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.863 1.306 11.512 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.192 0.527 9.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.029 -1.084 11.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.604 -1.078 11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.285 -0.324 12.614 1.00 0.00 H new