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 USER MOD Single : A 22 GLN : amide:sc= -0.636 X(o=-0.64,f=-0.95) USER MOD Single : A 27 GLN : amide:sc= -0.082 X(o=-0.082,f=0) USER MOD Single : A 29 SER OG : rot 69:sc= -1.71! USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 33 SER OG : rot 36:sc= 0.105 USER MOD Single : A 34 SER OG : rot 180:sc= 0.0501 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.141 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.3) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.559 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -124:sc= 0.121 USER MOD Single : A 60 THR OG1 : rot 78:sc= 0.459 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 7.566 -6.041 -7.389 1.00 0.00 N ATOM 259 CA THR A 19 6.943 -5.785 -8.682 1.00 0.00 C ATOM 260 C THR A 19 5.664 -4.972 -8.525 1.00 0.00 C ATOM 261 O THR A 19 5.059 -4.950 -7.453 1.00 0.00 O ATOM 262 CB THR A 19 6.616 -7.098 -9.418 1.00 0.00 C ATOM 263 OG1 THR A 19 6.310 -6.827 -10.790 1.00 0.00 O ATOM 264 CG2 THR A 19 5.443 -7.809 -8.762 1.00 0.00 C ATOM 0 HA THR A 19 7.662 -5.216 -9.272 1.00 0.00 H new ATOM 0 HB THR A 19 7.490 -7.747 -9.362 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.105 -7.667 -11.251 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.231 -8.733 -9.299 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.691 -8.040 -7.726 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.565 -7.164 -8.790 1.00 0.00 H new ATOM 272 N ALA A 20 5.256 -4.305 -9.599 1.00 0.00 N ATOM 273 CA ALA A 20 4.046 -3.492 -9.580 1.00 0.00 C ATOM 274 C ALA A 20 2.902 -4.226 -8.888 1.00 0.00 C ATOM 275 O ALA A 20 2.386 -3.768 -7.869 1.00 0.00 O ATOM 276 CB ALA A 20 3.647 -3.107 -10.997 1.00 0.00 C ATOM 0 H ALA A 20 5.746 -4.311 -10.494 1.00 0.00 H new ATOM 0 HA ALA A 20 4.256 -2.585 -9.014 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.742 -2.500 -10.968 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.452 -2.536 -11.459 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.461 -4.009 -11.580 1.00 0.00 H new ATOM 282 N GLU A 21 2.512 -5.367 -9.449 1.00 0.00 N ATOM 283 CA GLU A 21 1.428 -6.162 -8.885 1.00 0.00 C ATOM 284 C GLU A 21 1.544 -6.241 -7.365 1.00 0.00 C ATOM 285 O GLU A 21 0.604 -5.912 -6.643 1.00 0.00 O ATOM 286 CB GLU A 21 1.435 -7.571 -9.482 1.00 0.00 C ATOM 287 CG GLU A 21 0.633 -7.692 -10.767 1.00 0.00 C ATOM 288 CD GLU A 21 1.199 -6.844 -11.889 1.00 0.00 C ATOM 289 OE1 GLU A 21 2.188 -7.276 -12.518 1.00 0.00 O ATOM 290 OE2 GLU A 21 0.654 -5.749 -12.139 1.00 0.00 O ATOM 0 H GLU A 21 2.930 -5.760 -10.292 1.00 0.00 H new ATOM 0 HA GLU A 21 0.486 -5.674 -9.135 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.465 -7.868 -9.677 1.00 0.00 H new ATOM 0 HB3 GLU A 21 1.035 -8.270 -8.747 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.611 -8.736 -11.081 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.398 -7.395 -10.577 1.00 0.00 H new ATOM 297 N GLN A 22 2.705 -6.681 -6.889 1.00 0.00 N ATOM 298 CA GLN A 22 2.944 -6.804 -5.456 1.00 0.00 C ATOM 299 C GLN A 22 2.615 -5.501 -4.735 1.00 0.00 C ATOM 300 O GLN A 22 2.051 -5.511 -3.640 1.00 0.00 O ATOM 301 CB GLN A 22 4.400 -7.193 -5.192 1.00 0.00 C ATOM 302 CG GLN A 22 4.696 -8.659 -5.462 1.00 0.00 C ATOM 303 CD GLN A 22 6.124 -9.038 -5.123 1.00 0.00 C ATOM 304 OE1 GLN A 22 7.002 -8.180 -5.036 1.00 0.00 O ATOM 305 NE2 GLN A 22 6.365 -10.330 -4.931 1.00 0.00 N ATOM 0 H GLN A 22 3.493 -6.958 -7.474 1.00 0.00 H new ATOM 0 HA GLN A 22 2.290 -7.586 -5.070 1.00 0.00 H new ATOM 0 HB2 GLN A 22 5.050 -6.579 -5.815 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.646 -6.966 -4.155 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.012 -9.277 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.506 -8.876 -6.513 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.607 -11.008 -5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.308 -10.644 -4.702 1.00 0.00 H new ATOM 314 N LEU A 23 2.972 -4.381 -5.354 1.00 0.00 N ATOM 315 CA LEU A 23 2.715 -3.069 -4.771 1.00 0.00 C ATOM 316 C LEU A 23 1.237 -2.705 -4.880 1.00 0.00 C ATOM 317 O LEU A 23 0.540 -2.595 -3.871 1.00 0.00 O ATOM 318 CB LEU A 23 3.566 -2.005 -5.466 1.00 0.00 C ATOM 319 CG LEU A 23 4.993 -1.840 -4.942 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.665 -0.640 -5.592 1.00 0.00 C ATOM 321 CD2 LEU A 23 4.992 -1.698 -3.427 1.00 0.00 C ATOM 0 H LEU A 23 3.440 -4.355 -6.260 1.00 0.00 H new ATOM 0 HA LEU A 23 2.984 -3.109 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.616 -2.245 -6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.055 -1.046 -5.379 1.00 0.00 H new ATOM 0 HG LEU A 23 5.561 -2.733 -5.202 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.680 -0.538 -5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.699 -0.783 -6.672 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.098 0.262 -5.363 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.016 -1.582 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.408 -0.822 -3.144 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.551 -2.588 -2.978 1.00 0.00 H new ATOM 333 N ARG A 24 0.767 -2.522 -6.109 1.00 0.00 N ATOM 334 CA ARG A 24 -0.628 -2.171 -6.349 1.00 0.00 C ATOM 335 C ARG A 24 -1.543 -2.867 -5.346 1.00 0.00 C ATOM 336 O ARG A 24 -2.543 -2.300 -4.905 1.00 0.00 O ATOM 337 CB ARG A 24 -1.033 -2.551 -7.774 1.00 0.00 C ATOM 338 CG ARG A 24 -2.536 -2.555 -7.999 1.00 0.00 C ATOM 339 CD ARG A 24 -3.138 -3.924 -7.720 1.00 0.00 C ATOM 340 NE ARG A 24 -4.597 -3.885 -7.692 1.00 0.00 N ATOM 341 CZ ARG A 24 -5.362 -4.971 -7.718 1.00 0.00 C ATOM 342 NH1 ARG A 24 -4.808 -6.174 -7.770 1.00 0.00 N ATOM 343 NH2 ARG A 24 -6.683 -4.854 -7.690 1.00 0.00 N ATOM 0 H ARG A 24 1.331 -2.611 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.733 -1.093 -6.224 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.571 -1.853 -8.472 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.637 -3.540 -8.004 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.004 -1.812 -7.353 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.752 -2.264 -9.027 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.809 -4.627 -8.485 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.767 -4.295 -6.765 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.054 -2.974 -7.650 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.792 -6.267 -7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.397 -7.006 -7.790 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -7.112 -3.930 -7.648 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.269 -5.688 -7.710 1.00 0.00 H new ATOM 357 N VAL A 25 -1.195 -4.099 -4.989 1.00 0.00 N ATOM 358 CA VAL A 25 -1.984 -4.872 -4.038 1.00 0.00 C ATOM 359 C VAL A 25 -1.697 -4.438 -2.605 1.00 0.00 C ATOM 360 O VAL A 25 -2.595 -3.998 -1.886 1.00 0.00 O ATOM 361 CB VAL A 25 -1.705 -6.381 -4.172 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.469 -7.161 -3.113 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.065 -6.867 -5.568 1.00 0.00 C ATOM 0 H VAL A 25 -0.371 -4.583 -5.345 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.032 -4.683 -4.269 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.640 -6.552 -4.016 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.260 -8.225 -3.223 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.157 -6.831 -2.122 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.538 -6.987 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.862 -7.935 -5.645 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.123 -6.685 -5.755 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.468 -6.330 -6.305 1.00 0.00 H new ATOM 373 N LEU A 26 -0.440 -4.565 -2.195 1.00 0.00 N ATOM 374 CA LEU A 26 -0.032 -4.186 -0.847 1.00 0.00 C ATOM 375 C LEU A 26 -0.506 -2.776 -0.511 1.00 0.00 C ATOM 376 O LEU A 26 -1.171 -2.559 0.501 1.00 0.00 O ATOM 377 CB LEU A 26 1.489 -4.271 -0.709 1.00 0.00 C ATOM 378 CG LEU A 26 2.083 -5.680 -0.683 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.491 -5.677 -1.256 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.083 -6.232 0.735 1.00 0.00 C ATOM 0 H LEU A 26 0.315 -4.928 -2.777 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.493 -4.882 -0.146 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.940 -3.723 -1.537 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.780 -3.759 0.208 1.00 0.00 H new ATOM 0 HG LEU A 26 1.463 -6.327 -1.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.897 -6.688 -1.229 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.463 -5.324 -2.287 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.124 -5.016 -0.663 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.509 -7.235 0.735 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.680 -5.584 1.378 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.060 -6.272 1.110 1.00 0.00 H new ATOM 392 N GLN A 27 -0.161 -1.821 -1.369 1.00 0.00 N ATOM 393 CA GLN A 27 -0.553 -0.432 -1.164 1.00 0.00 C ATOM 394 C GLN A 27 -2.058 -0.317 -0.947 1.00 0.00 C ATOM 395 O GLN A 27 -2.519 0.489 -0.140 1.00 0.00 O ATOM 396 CB GLN A 27 -0.131 0.422 -2.361 1.00 0.00 C ATOM 397 CG GLN A 27 0.185 1.864 -2.000 1.00 0.00 C ATOM 398 CD GLN A 27 -0.103 2.827 -3.134 1.00 0.00 C ATOM 399 OE1 GLN A 27 0.801 3.481 -3.653 1.00 0.00 O ATOM 400 NE2 GLN A 27 -1.369 2.919 -3.526 1.00 0.00 N ATOM 0 H GLN A 27 0.389 -1.984 -2.212 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.047 -0.067 -0.270 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.746 -0.028 -2.826 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.928 0.409 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.400 2.152 -1.127 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.236 1.942 -1.720 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.087 2.358 -3.068 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.623 3.551 -4.285 1.00 0.00 H new ATOM 409 N ALA A 28 -2.819 -1.129 -1.673 1.00 0.00 N ATOM 410 CA ALA A 28 -4.272 -1.120 -1.559 1.00 0.00 C ATOM 411 C ALA A 28 -4.719 -1.627 -0.192 1.00 0.00 C ATOM 412 O ALA A 28 -5.805 -1.292 0.280 1.00 0.00 O ATOM 413 CB ALA A 28 -4.894 -1.960 -2.665 1.00 0.00 C ATOM 0 H ALA A 28 -2.453 -1.802 -2.347 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.613 -0.090 -1.665 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.979 -1.944 -2.567 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.611 -1.551 -3.635 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.538 -2.987 -2.586 1.00 0.00 H new ATOM 419 N SER A 29 -3.874 -2.436 0.439 1.00 0.00 N ATOM 420 CA SER A 29 -4.184 -2.993 1.750 1.00 0.00 C ATOM 421 C SER A 29 -3.747 -2.043 2.861 1.00 0.00 C ATOM 422 O SER A 29 -4.573 -1.530 3.616 1.00 0.00 O ATOM 423 CB SER A 29 -3.500 -4.351 1.926 1.00 0.00 C ATOM 424 OG SER A 29 -4.278 -5.391 1.359 1.00 0.00 O ATOM 0 H SER A 29 -2.969 -2.720 0.063 1.00 0.00 H new ATOM 0 HA SER A 29 -5.264 -3.127 1.814 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.517 -4.330 1.456 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.342 -4.547 2.986 1.00 0.00 H new ATOM 0 HG SER A 29 -4.281 -5.302 0.383 1.00 0.00 H new ATOM 430 N PHE A 30 -2.441 -1.814 2.955 1.00 0.00 N ATOM 431 CA PHE A 30 -1.892 -0.926 3.973 1.00 0.00 C ATOM 432 C PHE A 30 -2.704 0.362 4.067 1.00 0.00 C ATOM 433 O PHE A 30 -2.978 0.859 5.160 1.00 0.00 O ATOM 434 CB PHE A 30 -0.430 -0.600 3.661 1.00 0.00 C ATOM 435 CG PHE A 30 0.098 0.578 4.430 1.00 0.00 C ATOM 436 CD1 PHE A 30 0.480 0.442 5.755 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.213 1.820 3.827 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.965 1.524 6.464 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.698 2.906 4.531 1.00 0.00 C ATOM 440 CZ PHE A 30 1.076 2.757 5.852 1.00 0.00 C ATOM 0 H PHE A 30 -1.744 -2.231 2.339 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.945 -1.438 4.934 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.184 -1.473 3.882 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.330 -0.402 2.594 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.398 -0.520 6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.080 1.941 2.795 1.00 0.00 H new ATOM 0 HE1 PHE A 30 1.257 1.406 7.497 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.781 3.869 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.457 3.603 6.404 1.00 0.00 H new ATOM 450 N LEU A 31 -3.087 0.899 2.913 1.00 0.00 N ATOM 451 CA LEU A 31 -3.867 2.130 2.864 1.00 0.00 C ATOM 452 C LEU A 31 -5.101 2.029 3.754 1.00 0.00 C ATOM 453 O LEU A 31 -5.263 2.802 4.697 1.00 0.00 O ATOM 454 CB LEU A 31 -4.287 2.433 1.424 1.00 0.00 C ATOM 455 CG LEU A 31 -3.290 3.241 0.591 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.680 3.215 -0.879 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.208 4.673 1.098 1.00 0.00 C ATOM 0 H LEU A 31 -2.870 0.501 1.999 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.241 2.942 3.233 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.474 1.488 0.914 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.233 2.974 1.449 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.306 2.784 0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.960 3.795 -1.457 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.686 2.185 -1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.674 3.647 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.494 5.233 0.494 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.190 5.141 1.026 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.881 4.673 2.138 1.00 0.00 H new ATOM 469 N ASN A 32 -5.968 1.068 3.449 1.00 0.00 N ATOM 470 CA ASN A 32 -7.187 0.864 4.223 1.00 0.00 C ATOM 471 C ASN A 32 -6.894 0.903 5.720 1.00 0.00 C ATOM 472 O ASN A 32 -7.623 1.527 6.490 1.00 0.00 O ATOM 473 CB ASN A 32 -7.833 -0.472 3.853 1.00 0.00 C ATOM 474 CG ASN A 32 -9.200 -0.648 4.487 1.00 0.00 C ATOM 475 OD1 ASN A 32 -10.040 0.250 4.437 1.00 0.00 O ATOM 476 ND2 ASN A 32 -9.427 -1.811 5.088 1.00 0.00 N ATOM 0 H ASN A 32 -5.849 0.419 2.671 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.878 1.672 3.985 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.927 -0.539 2.769 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.182 -1.287 4.168 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -10.328 -1.988 5.533 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.701 -2.527 5.105 1.00 0.00 H new ATOM 483 N SER A 33 -5.820 0.232 6.125 1.00 0.00 N ATOM 484 CA SER A 33 -5.432 0.186 7.529 1.00 0.00 C ATOM 485 C SER A 33 -3.914 0.120 7.672 1.00 0.00 C ATOM 486 O SER A 33 -3.255 -0.701 7.034 1.00 0.00 O ATOM 487 CB SER A 33 -6.073 -1.020 8.219 1.00 0.00 C ATOM 488 OG SER A 33 -5.765 -2.222 7.534 1.00 0.00 O ATOM 0 H SER A 33 -5.203 -0.287 5.500 1.00 0.00 H new ATOM 0 HA SER A 33 -5.785 1.099 8.007 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.721 -1.084 9.249 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.154 -0.888 8.260 1.00 0.00 H new ATOM 0 HG SER A 33 -4.852 -2.173 7.181 1.00 0.00 H new ATOM 494 N SER A 34 -3.367 0.992 8.512 1.00 0.00 N ATOM 495 CA SER A 34 -1.926 1.037 8.736 1.00 0.00 C ATOM 496 C SER A 34 -1.457 -0.197 9.501 1.00 0.00 C ATOM 497 O SER A 34 -0.312 -0.627 9.365 1.00 0.00 O ATOM 498 CB SER A 34 -1.548 2.303 9.507 1.00 0.00 C ATOM 499 OG SER A 34 -2.560 2.658 10.433 1.00 0.00 O ATOM 0 H SER A 34 -3.899 1.677 9.049 1.00 0.00 H new ATOM 0 HA SER A 34 -1.432 1.051 7.764 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.608 2.144 10.035 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.386 3.124 8.808 1.00 0.00 H new ATOM 0 HG SER A 34 -2.293 3.469 10.914 1.00 0.00 H new ATOM 505 N VAL A 35 -2.351 -0.762 10.306 1.00 0.00 N ATOM 506 CA VAL A 35 -2.030 -1.947 11.093 1.00 0.00 C ATOM 507 C VAL A 35 -2.472 -3.218 10.376 1.00 0.00 C ATOM 508 O VAL A 35 -3.658 -3.409 10.103 1.00 0.00 O ATOM 509 CB VAL A 35 -2.694 -1.896 12.481 1.00 0.00 C ATOM 510 CG1 VAL A 35 -4.209 -1.890 12.349 1.00 0.00 C ATOM 511 CG2 VAL A 35 -2.230 -3.065 13.337 1.00 0.00 C ATOM 0 H VAL A 35 -3.303 -0.418 10.430 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.947 -1.961 11.218 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.393 -0.972 12.974 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.660 -1.854 13.340 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.521 -1.017 11.776 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.533 -2.795 11.836 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.709 -3.013 14.315 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.500 -4.002 12.850 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.148 -3.019 13.461 1.00 0.00 H new ATOM 521 N LEU A 36 -1.512 -4.085 10.075 1.00 0.00 N ATOM 522 CA LEU A 36 -1.802 -5.340 9.390 1.00 0.00 C ATOM 523 C LEU A 36 -2.434 -6.348 10.344 1.00 0.00 C ATOM 524 O LEU A 36 -1.935 -6.573 11.448 1.00 0.00 O ATOM 525 CB LEU A 36 -0.522 -5.923 8.788 1.00 0.00 C ATOM 526 CG LEU A 36 -0.710 -7.059 7.783 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.306 -6.532 6.487 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.614 -7.760 7.516 1.00 0.00 C ATOM 0 H LEU A 36 -0.526 -3.942 10.294 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.511 -5.132 8.589 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.025 -5.118 8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.106 -6.285 9.602 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.403 -7.784 8.210 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.433 -7.355 5.784 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.275 -6.077 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.638 -5.786 6.056 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.461 -8.566 6.798 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.329 -7.044 7.111 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.002 -8.173 8.447 1.00 0.00 H new ATOM 540 N THR A 37 -3.535 -6.955 9.912 1.00 0.00 N ATOM 541 CA THR A 37 -4.234 -7.940 10.727 1.00 0.00 C ATOM 542 C THR A 37 -3.882 -9.360 10.298 1.00 0.00 C ATOM 543 O THR A 37 -3.688 -9.629 9.112 1.00 0.00 O ATOM 544 CB THR A 37 -5.761 -7.755 10.645 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.205 -7.939 9.296 1.00 0.00 O ATOM 546 CG2 THR A 37 -6.166 -6.372 11.133 1.00 0.00 C ATOM 0 H THR A 37 -3.962 -6.781 9.002 1.00 0.00 H new ATOM 0 HA THR A 37 -3.911 -7.784 11.756 1.00 0.00 H new ATOM 0 HB THR A 37 -6.230 -8.501 11.287 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.177 -7.821 9.253 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.249 -6.265 11.066 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.853 -6.246 12.169 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.687 -5.613 10.514 1.00 0.00 H new ATOM 554 N ASP A 38 -3.802 -10.264 11.268 1.00 0.00 N ATOM 555 CA ASP A 38 -3.475 -11.657 10.989 1.00 0.00 C ATOM 556 C ASP A 38 -4.212 -12.151 9.748 1.00 0.00 C ATOM 557 O ASP A 38 -3.643 -12.858 8.917 1.00 0.00 O ATOM 558 CB ASP A 38 -3.827 -12.536 12.190 1.00 0.00 C ATOM 559 CG ASP A 38 -3.556 -14.005 11.932 1.00 0.00 C ATOM 560 OD1 ASP A 38 -2.384 -14.358 11.684 1.00 0.00 O ATOM 561 OD2 ASP A 38 -4.517 -14.802 11.977 1.00 0.00 O ATOM 0 H ASP A 38 -3.959 -10.057 12.254 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.403 -11.722 10.802 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -3.251 -12.210 13.056 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.880 -12.402 12.438 1.00 0.00 H new ATOM 566 N GLU A 39 -5.482 -11.774 9.631 1.00 0.00 N ATOM 567 CA GLU A 39 -6.297 -12.181 8.493 1.00 0.00 C ATOM 568 C GLU A 39 -5.780 -11.554 7.202 1.00 0.00 C ATOM 569 O GLU A 39 -5.372 -12.257 6.278 1.00 0.00 O ATOM 570 CB GLU A 39 -7.758 -11.784 8.716 1.00 0.00 C ATOM 571 CG GLU A 39 -8.153 -11.715 10.181 1.00 0.00 C ATOM 572 CD GLU A 39 -9.615 -12.050 10.408 1.00 0.00 C ATOM 573 OE1 GLU A 39 -9.936 -13.251 10.527 1.00 0.00 O ATOM 574 OE2 GLU A 39 -10.437 -11.112 10.466 1.00 0.00 O ATOM 0 H GLU A 39 -5.968 -11.188 10.310 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.232 -13.265 8.402 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.936 -10.813 8.254 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.402 -12.502 8.208 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.533 -12.405 10.753 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -7.950 -10.714 10.561 1.00 0.00 H new ATOM 581 N GLU A 40 -5.800 -10.226 7.146 1.00 0.00 N ATOM 582 CA GLU A 40 -5.335 -9.504 5.967 1.00 0.00 C ATOM 583 C GLU A 40 -3.981 -10.035 5.504 1.00 0.00 C ATOM 584 O GLU A 40 -3.790 -10.335 4.324 1.00 0.00 O ATOM 585 CB GLU A 40 -5.232 -8.007 6.266 1.00 0.00 C ATOM 586 CG GLU A 40 -4.678 -7.192 5.110 1.00 0.00 C ATOM 587 CD GLU A 40 -5.719 -6.906 4.045 1.00 0.00 C ATOM 588 OE1 GLU A 40 -6.146 -7.861 3.363 1.00 0.00 O ATOM 589 OE2 GLU A 40 -6.107 -5.729 3.895 1.00 0.00 O ATOM 0 H GLU A 40 -6.133 -9.628 7.903 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.060 -9.659 5.168 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.221 -7.628 6.526 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.596 -7.862 7.139 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.285 -6.249 5.491 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.842 -7.728 4.661 1.00 0.00 H new ATOM 596 N LEU A 41 -3.045 -10.148 6.439 1.00 0.00 N ATOM 597 CA LEU A 41 -1.708 -10.643 6.128 1.00 0.00 C ATOM 598 C LEU A 41 -1.776 -11.841 5.187 1.00 0.00 C ATOM 599 O LEU A 41 -1.184 -11.831 4.109 1.00 0.00 O ATOM 600 CB LEU A 41 -0.974 -11.030 7.413 1.00 0.00 C ATOM 601 CG LEU A 41 0.540 -11.203 7.294 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.184 -11.228 8.672 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.874 -12.472 6.525 1.00 0.00 C ATOM 0 H LEU A 41 -3.187 -9.904 7.419 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.159 -9.844 5.630 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.175 -10.268 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.398 -11.963 7.783 1.00 0.00 H new ATOM 0 HG LEU A 41 0.941 -10.352 6.743 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.262 -11.352 8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.975 -10.291 9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.777 -12.059 9.249 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.956 -12.578 6.451 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.460 -13.334 7.048 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.445 -12.415 5.524 1.00 0.00 H new ATOM 615 N ASN A 42 -2.505 -12.872 5.601 1.00 0.00 N ATOM 616 CA ASN A 42 -2.653 -14.078 4.794 1.00 0.00 C ATOM 617 C ASN A 42 -3.165 -13.739 3.398 1.00 0.00 C ATOM 618 O ASN A 42 -2.532 -14.069 2.396 1.00 0.00 O ATOM 619 CB ASN A 42 -3.608 -15.059 5.476 1.00 0.00 C ATOM 620 CG ASN A 42 -2.895 -15.978 6.450 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.097 -16.826 6.050 1.00 0.00 O ATOM 622 ND2 ASN A 42 -3.181 -15.814 7.736 1.00 0.00 N ATOM 0 H ASN A 42 -3.003 -12.897 6.491 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.672 -14.544 4.698 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.380 -14.501 6.006 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.112 -15.658 4.717 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.733 -16.404 8.437 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.849 -15.098 8.023 1.00 0.00 H new ATOM 629 N ARG A 43 -4.317 -13.077 3.341 1.00 0.00 N ATOM 630 CA ARG A 43 -4.915 -12.693 2.068 1.00 0.00 C ATOM 631 C ARG A 43 -3.850 -12.195 1.095 1.00 0.00 C ATOM 632 O ARG A 43 -3.855 -12.554 -0.083 1.00 0.00 O ATOM 633 CB ARG A 43 -5.972 -11.608 2.284 1.00 0.00 C ATOM 634 CG ARG A 43 -7.342 -12.156 2.647 1.00 0.00 C ATOM 635 CD ARG A 43 -8.185 -12.415 1.408 1.00 0.00 C ATOM 636 NE ARG A 43 -7.826 -13.672 0.756 1.00 0.00 N ATOM 637 CZ ARG A 43 -8.323 -14.061 -0.413 1.00 0.00 C ATOM 638 NH1 ARG A 43 -9.195 -13.295 -1.054 1.00 0.00 N ATOM 639 NH2 ARG A 43 -7.948 -15.218 -0.943 1.00 0.00 N ATOM 0 H ARG A 43 -4.854 -12.796 4.161 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.391 -13.574 1.638 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.636 -10.938 3.076 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -6.058 -11.011 1.376 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.227 -13.082 3.210 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.857 -11.449 3.298 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.239 -12.438 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.058 -11.592 0.704 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.157 -14.284 1.224 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.486 -12.405 -0.650 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.575 -13.596 -1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.277 -15.810 -0.453 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.330 -15.516 -1.841 1.00 0.00 H new ATOM 653 N LEU A 44 -2.940 -11.367 1.595 1.00 0.00 N ATOM 654 CA LEU A 44 -1.869 -10.819 0.770 1.00 0.00 C ATOM 655 C LEU A 44 -0.825 -11.886 0.454 1.00 0.00 C ATOM 656 O LEU A 44 -0.422 -12.051 -0.698 1.00 0.00 O ATOM 657 CB LEU A 44 -1.207 -9.637 1.479 1.00 0.00 C ATOM 658 CG LEU A 44 -2.086 -8.404 1.691 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.490 -7.500 2.759 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.262 -7.643 0.385 1.00 0.00 C ATOM 0 H LEU A 44 -2.922 -11.060 2.568 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.306 -10.475 -0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.850 -9.976 2.452 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.330 -9.339 0.904 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.067 -8.736 2.031 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.129 -6.628 2.896 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.416 -8.047 3.699 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.497 -7.176 2.449 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.890 -6.769 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.287 -7.323 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.734 -8.291 -0.353 1.00 0.00 H new ATOM 672 N ARG A 45 -0.394 -12.609 1.482 1.00 0.00 N ATOM 673 CA ARG A 45 0.601 -13.660 1.314 1.00 0.00 C ATOM 674 C ARG A 45 0.279 -14.524 0.097 1.00 0.00 C ATOM 675 O ARG A 45 1.164 -15.155 -0.480 1.00 0.00 O ATOM 676 CB ARG A 45 0.670 -14.533 2.568 1.00 0.00 C ATOM 677 CG ARG A 45 2.039 -15.147 2.809 1.00 0.00 C ATOM 678 CD ARG A 45 2.115 -15.824 4.169 1.00 0.00 C ATOM 679 NE ARG A 45 1.700 -17.222 4.108 1.00 0.00 N ATOM 680 CZ ARG A 45 2.378 -18.163 3.459 1.00 0.00 C ATOM 681 NH1 ARG A 45 3.498 -17.855 2.820 1.00 0.00 N ATOM 682 NH2 ARG A 45 1.936 -19.414 3.450 1.00 0.00 N ATOM 0 H ARG A 45 -0.719 -12.486 2.441 1.00 0.00 H new ATOM 0 HA ARG A 45 1.570 -13.186 1.156 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.393 -13.932 3.434 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.067 -15.331 2.485 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.255 -15.875 2.027 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.803 -14.372 2.744 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.136 -15.765 4.547 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.482 -15.288 4.876 1.00 0.00 H new ATOM 0 HE ARG A 45 0.842 -17.492 4.590 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.841 -16.894 2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 45 4.017 -18.579 2.323 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.075 -19.654 3.941 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.457 -20.135 2.952 1.00 0.00 H new ATOM 696 N ALA A 46 -0.993 -14.546 -0.285 1.00 0.00 N ATOM 697 CA ALA A 46 -1.432 -15.331 -1.433 1.00 0.00 C ATOM 698 C ALA A 46 -1.537 -14.463 -2.683 1.00 0.00 C ATOM 699 O ALA A 46 -1.433 -14.960 -3.804 1.00 0.00 O ATOM 700 CB ALA A 46 -2.767 -15.998 -1.137 1.00 0.00 C ATOM 0 H ALA A 46 -1.738 -14.030 0.183 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.687 -16.104 -1.621 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.083 -16.581 -2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.661 -16.657 -0.275 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.515 -15.235 -0.921 1.00 0.00 H new ATOM 706 N GLN A 47 -1.745 -13.166 -2.481 1.00 0.00 N ATOM 707 CA GLN A 47 -1.866 -12.230 -3.593 1.00 0.00 C ATOM 708 C GLN A 47 -0.492 -11.818 -4.110 1.00 0.00 C ATOM 709 O GLN A 47 -0.214 -11.908 -5.306 1.00 0.00 O ATOM 710 CB GLN A 47 -2.655 -10.992 -3.162 1.00 0.00 C ATOM 711 CG GLN A 47 -4.159 -11.210 -3.129 1.00 0.00 C ATOM 712 CD GLN A 47 -4.790 -11.128 -4.505 1.00 0.00 C ATOM 713 OE1 GLN A 47 -4.107 -10.889 -5.501 1.00 0.00 O ATOM 714 NE2 GLN A 47 -6.102 -11.327 -4.567 1.00 0.00 N ATOM 0 H GLN A 47 -1.833 -12.739 -1.559 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.402 -12.731 -4.399 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.319 -10.684 -2.172 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.430 -10.172 -3.844 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.371 -12.186 -2.693 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.616 -10.464 -2.479 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.629 -11.522 -3.716 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.582 -11.285 -5.466 1.00 0.00 H new ATOM 723 N THR A 48 0.365 -11.365 -3.200 1.00 0.00 N ATOM 724 CA THR A 48 1.710 -10.937 -3.564 1.00 0.00 C ATOM 725 C THR A 48 2.676 -12.116 -3.584 1.00 0.00 C ATOM 726 O THR A 48 3.861 -11.957 -3.876 1.00 0.00 O ATOM 727 CB THR A 48 2.243 -9.869 -2.590 1.00 0.00 C ATOM 728 OG1 THR A 48 2.477 -10.453 -1.304 1.00 0.00 O ATOM 729 CG2 THR A 48 1.257 -8.717 -2.458 1.00 0.00 C ATOM 0 H THR A 48 0.151 -11.285 -2.206 1.00 0.00 H new ATOM 0 HA THR A 48 1.644 -10.507 -4.563 1.00 0.00 H new ATOM 0 HB THR A 48 3.180 -9.480 -2.988 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.817 -9.768 -0.691 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.655 -7.975 -1.765 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.103 -8.256 -3.434 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.306 -9.093 -2.080 1.00 0.00 H new ATOM 737 N LYS A 49 2.161 -13.301 -3.273 1.00 0.00 N ATOM 738 CA LYS A 49 2.977 -14.510 -3.258 1.00 0.00 C ATOM 739 C LYS A 49 4.278 -14.278 -2.497 1.00 0.00 C ATOM 740 O LYS A 49 5.293 -14.921 -2.770 1.00 0.00 O ATOM 741 CB LYS A 49 3.283 -14.962 -4.687 1.00 0.00 C ATOM 742 CG LYS A 49 2.043 -15.175 -5.537 1.00 0.00 C ATOM 743 CD LYS A 49 1.516 -16.595 -5.407 1.00 0.00 C ATOM 744 CE LYS A 49 0.367 -16.853 -6.370 1.00 0.00 C ATOM 745 NZ LYS A 49 0.851 -17.313 -7.701 1.00 0.00 N ATOM 0 H LYS A 49 1.182 -13.450 -3.028 1.00 0.00 H new ATOM 0 HA LYS A 49 2.413 -15.292 -2.750 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.918 -14.217 -5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.852 -15.891 -4.651 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.269 -14.469 -5.236 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.276 -14.966 -6.581 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.322 -17.303 -5.602 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.181 -16.768 -4.384 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -0.300 -17.604 -5.947 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.217 -15.941 -6.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.038 -17.478 -8.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.467 -16.586 -8.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 1.387 -18.197 -7.589 1.00 0.00 H new ATOM 759 N LEU A 50 4.243 -13.357 -1.540 1.00 0.00 N ATOM 760 CA LEU A 50 5.420 -13.041 -0.738 1.00 0.00 C ATOM 761 C LEU A 50 5.350 -13.726 0.624 1.00 0.00 C ATOM 762 O LEU A 50 4.401 -14.453 0.918 1.00 0.00 O ATOM 763 CB LEU A 50 5.545 -11.528 -0.554 1.00 0.00 C ATOM 764 CG LEU A 50 6.287 -10.777 -1.660 1.00 0.00 C ATOM 765 CD1 LEU A 50 5.940 -9.297 -1.627 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.790 -10.977 -1.525 1.00 0.00 C ATOM 0 H LEU A 50 3.412 -12.816 -1.300 1.00 0.00 H new ATOM 0 HA LEU A 50 6.299 -13.410 -1.266 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.543 -11.109 -0.467 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.053 -11.338 0.391 1.00 0.00 H new ATOM 0 HG LEU A 50 5.971 -11.182 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.478 -8.779 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.867 -9.171 -1.773 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.226 -8.878 -0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.302 -10.435 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.122 -10.600 -0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 50 8.024 -12.039 -1.600 1.00 0.00 H new ATOM 778 N THR A 51 6.362 -13.487 1.453 1.00 0.00 N ATOM 779 CA THR A 51 6.415 -14.079 2.783 1.00 0.00 C ATOM 780 C THR A 51 5.841 -13.132 3.830 1.00 0.00 C ATOM 781 O THR A 51 6.022 -11.917 3.748 1.00 0.00 O ATOM 782 CB THR A 51 7.859 -14.447 3.177 1.00 0.00 C ATOM 783 OG1 THR A 51 8.681 -13.275 3.173 1.00 0.00 O ATOM 784 CG2 THR A 51 8.434 -15.480 2.220 1.00 0.00 C ATOM 0 H THR A 51 7.155 -12.888 1.226 1.00 0.00 H new ATOM 0 HA THR A 51 5.812 -14.987 2.749 1.00 0.00 H new ATOM 0 HB THR A 51 7.842 -14.874 4.180 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.449 -13.416 2.581 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.454 -15.724 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.822 -16.382 2.247 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.439 -15.075 1.208 1.00 0.00 H new ATOM 792 N ARG A 52 5.147 -13.696 4.814 1.00 0.00 N ATOM 793 CA ARG A 52 4.546 -12.900 5.878 1.00 0.00 C ATOM 794 C ARG A 52 5.514 -11.829 6.369 1.00 0.00 C ATOM 795 O ARG A 52 5.102 -10.729 6.739 1.00 0.00 O ATOM 796 CB ARG A 52 4.129 -13.800 7.043 1.00 0.00 C ATOM 797 CG ARG A 52 5.294 -14.515 7.707 1.00 0.00 C ATOM 798 CD ARG A 52 4.843 -15.793 8.397 1.00 0.00 C ATOM 799 NE ARG A 52 4.425 -15.552 9.776 1.00 0.00 N ATOM 800 CZ ARG A 52 4.143 -16.522 10.638 1.00 0.00 C ATOM 801 NH1 ARG A 52 4.232 -17.792 10.266 1.00 0.00 N ATOM 802 NH2 ARG A 52 3.770 -16.223 11.876 1.00 0.00 N ATOM 0 H ARG A 52 4.987 -14.700 4.896 1.00 0.00 H new ATOM 0 HA ARG A 52 3.662 -12.407 5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.611 -13.198 7.789 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.417 -14.542 6.681 1.00 0.00 H new ATOM 0 HG2 ARG A 52 6.051 -14.752 6.959 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.762 -13.852 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 52 4.017 -16.234 7.839 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.657 -16.518 8.386 1.00 0.00 H new ATOM 0 HE ARG A 52 4.345 -14.586 10.094 1.00 0.00 H new ATOM 0 HH11 ARG A 52 4.518 -18.026 9.315 1.00 0.00 H new ATOM 0 HH12 ARG A 52 4.015 -18.535 10.931 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.700 -15.248 12.166 1.00 0.00 H new ATOM 0 HH22 ARG A 52 3.554 -16.969 12.538 1.00 0.00 H new ATOM 816 N ARG A 53 6.802 -12.158 6.371 1.00 0.00 N ATOM 817 CA ARG A 53 7.828 -11.224 6.819 1.00 0.00 C ATOM 818 C ARG A 53 7.904 -10.014 5.893 1.00 0.00 C ATOM 819 O ARG A 53 7.852 -8.871 6.345 1.00 0.00 O ATOM 820 CB ARG A 53 9.189 -11.920 6.879 1.00 0.00 C ATOM 821 CG ARG A 53 10.332 -10.992 7.258 1.00 0.00 C ATOM 822 CD ARG A 53 10.371 -10.740 8.757 1.00 0.00 C ATOM 823 NE ARG A 53 10.986 -9.456 9.080 1.00 0.00 N ATOM 824 CZ ARG A 53 10.878 -8.867 10.266 1.00 0.00 C ATOM 825 NH1 ARG A 53 10.182 -9.444 11.236 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.466 -7.698 10.484 1.00 0.00 N ATOM 0 H ARG A 53 7.159 -13.064 6.068 1.00 0.00 H new ATOM 0 HA ARG A 53 7.559 -10.879 7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.139 -12.735 7.601 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.402 -12.367 5.908 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.278 -11.428 6.936 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.222 -10.044 6.731 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.357 -10.767 9.156 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.926 -11.541 9.245 1.00 0.00 H new ATOM 0 HE ARG A 53 11.528 -8.985 8.356 1.00 0.00 H new ATOM 0 HH11 ARG A 53 9.728 -10.343 11.073 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.101 -8.989 12.145 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.002 -7.250 9.741 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.382 -7.247 11.395 1.00 0.00 H new ATOM 840 N GLU A 54 8.028 -10.275 4.595 1.00 0.00 N ATOM 841 CA GLU A 54 8.112 -9.207 3.606 1.00 0.00 C ATOM 842 C GLU A 54 6.932 -8.248 3.739 1.00 0.00 C ATOM 843 O GLU A 54 7.106 -7.029 3.733 1.00 0.00 O ATOM 844 CB GLU A 54 8.151 -9.792 2.193 1.00 0.00 C ATOM 845 CG GLU A 54 9.556 -10.094 1.698 1.00 0.00 C ATOM 846 CD GLU A 54 10.348 -10.942 2.674 1.00 0.00 C ATOM 847 OE1 GLU A 54 10.473 -10.536 3.848 1.00 0.00 O ATOM 848 OE2 GLU A 54 10.844 -12.012 2.262 1.00 0.00 O ATOM 0 H GLU A 54 8.072 -11.216 4.204 1.00 0.00 H new ATOM 0 HA GLU A 54 9.032 -8.651 3.787 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.562 -10.709 2.172 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.675 -9.092 1.506 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.497 -10.610 0.739 1.00 0.00 H new ATOM 0 HG3 GLU A 54 10.085 -9.157 1.524 1.00 0.00 H new ATOM 855 N ILE A 55 5.733 -8.808 3.858 1.00 0.00 N ATOM 856 CA ILE A 55 4.525 -8.004 3.993 1.00 0.00 C ATOM 857 C ILE A 55 4.520 -7.236 5.311 1.00 0.00 C ATOM 858 O ILE A 55 4.657 -6.013 5.329 1.00 0.00 O ATOM 859 CB ILE A 55 3.257 -8.874 3.914 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.236 -9.664 2.604 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.012 -8.009 4.037 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.266 -10.825 2.614 1.00 0.00 C ATOM 0 H ILE A 55 5.572 -9.815 3.864 1.00 0.00 H new ATOM 0 HA ILE A 55 4.523 -7.297 3.163 1.00 0.00 H new ATOM 0 HB ILE A 55 3.267 -9.581 4.743 1.00 0.00 H new ATOM 0 HG12 ILE A 55 2.976 -8.991 1.787 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.238 -10.040 2.400 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.124 -8.639 3.979 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.025 -7.487 4.994 1.00 0.00 H new ATOM 0 HG23 ILE A 55 1.993 -7.281 3.226 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.304 -11.339 1.654 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.538 -11.520 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.256 -10.454 2.787 1.00 0.00 H new ATOM 874 N ASP A 56 4.362 -7.963 6.411 1.00 0.00 N ATOM 875 CA ASP A 56 4.342 -7.352 7.735 1.00 0.00 C ATOM 876 C ASP A 56 5.357 -6.216 7.825 1.00 0.00 C ATOM 877 O ASP A 56 5.034 -5.116 8.273 1.00 0.00 O ATOM 878 CB ASP A 56 4.636 -8.400 8.809 1.00 0.00 C ATOM 879 CG ASP A 56 5.306 -7.804 10.032 1.00 0.00 C ATOM 880 OD1 ASP A 56 6.553 -7.739 10.052 1.00 0.00 O ATOM 881 OD2 ASP A 56 4.584 -7.404 10.969 1.00 0.00 O ATOM 0 H ASP A 56 4.246 -8.976 6.412 1.00 0.00 H new ATOM 0 HA ASP A 56 3.347 -6.941 7.902 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.705 -8.882 9.107 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.276 -9.176 8.390 1.00 0.00 H new ATOM 886 N ALA A 57 6.584 -6.490 7.396 1.00 0.00 N ATOM 887 CA ALA A 57 7.645 -5.491 7.426 1.00 0.00 C ATOM 888 C ALA A 57 7.311 -4.308 6.525 1.00 0.00 C ATOM 889 O ALA A 57 7.409 -3.153 6.939 1.00 0.00 O ATOM 890 CB ALA A 57 8.970 -6.115 7.012 1.00 0.00 C ATOM 0 H ALA A 57 6.868 -7.396 7.023 1.00 0.00 H new ATOM 0 HA ALA A 57 7.733 -5.122 8.448 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.753 -5.357 7.039 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.222 -6.922 7.699 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.885 -6.513 6.001 1.00 0.00 H new ATOM 896 N TRP A 58 6.918 -4.602 5.291 1.00 0.00 N ATOM 897 CA TRP A 58 6.571 -3.561 4.330 1.00 0.00 C ATOM 898 C TRP A 58 5.601 -2.557 4.943 1.00 0.00 C ATOM 899 O TRP A 58 5.886 -1.360 5.000 1.00 0.00 O ATOM 900 CB TRP A 58 5.956 -4.182 3.075 1.00 0.00 C ATOM 901 CG TRP A 58 5.736 -3.193 1.970 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.628 -2.837 0.999 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.548 -2.432 1.725 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.066 -1.901 0.165 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.791 -1.636 0.588 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.303 -2.348 2.353 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.833 -0.767 0.071 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.354 -1.485 1.838 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.623 -0.705 0.706 1.00 0.00 C ATOM 0 H TRP A 58 6.832 -5.553 4.932 1.00 0.00 H new ATOM 0 HA TRP A 58 7.485 -3.034 4.056 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.608 -4.979 2.716 1.00 0.00 H new ATOM 0 HB3 TRP A 58 5.003 -4.643 3.336 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.628 -3.233 0.901 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.524 -1.473 -0.639 1.00 0.00 H new ATOM 0 HE3 TRP A 58 3.086 -2.947 3.225 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.038 -0.163 -0.801 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.389 -1.411 2.317 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.860 -0.041 0.327 1.00 0.00 H new ATOM 920 N PHE A 59 4.456 -3.050 5.401 1.00 0.00 N ATOM 921 CA PHE A 59 3.443 -2.195 6.010 1.00 0.00 C ATOM 922 C PHE A 59 4.068 -1.268 7.048 1.00 0.00 C ATOM 923 O PHE A 59 3.740 -0.083 7.117 1.00 0.00 O ATOM 924 CB PHE A 59 2.350 -3.045 6.660 1.00 0.00 C ATOM 925 CG PHE A 59 1.305 -3.520 5.692 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.659 -4.266 4.579 1.00 0.00 C ATOM 927 CD2 PHE A 59 -0.033 -3.222 5.896 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.699 -4.703 3.687 1.00 0.00 C ATOM 929 CE2 PHE A 59 -0.998 -3.657 5.007 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.631 -4.400 3.902 1.00 0.00 C ATOM 0 H PHE A 59 4.205 -4.038 5.362 1.00 0.00 H new ATOM 0 HA PHE A 59 2.998 -1.585 5.224 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.810 -3.909 7.139 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.868 -2.464 7.446 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.697 -4.508 4.407 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.325 -2.643 6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.988 -5.281 2.822 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.037 -3.416 5.176 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.383 -4.743 3.207 1.00 0.00 H new ATOM 940 N THR A 60 4.971 -1.816 7.856 1.00 0.00 N ATOM 941 CA THR A 60 5.640 -1.040 8.892 1.00 0.00 C ATOM 942 C THR A 60 6.299 0.204 8.308 1.00 0.00 C ATOM 943 O THR A 60 5.888 1.328 8.598 1.00 0.00 O ATOM 944 CB THR A 60 6.708 -1.879 9.619 1.00 0.00 C ATOM 945 OG1 THR A 60 6.166 -3.153 9.984 1.00 0.00 O ATOM 946 CG2 THR A 60 7.207 -1.159 10.863 1.00 0.00 C ATOM 0 H THR A 60 5.255 -2.795 7.812 1.00 0.00 H new ATOM 0 HA THR A 60 4.874 -0.740 9.607 1.00 0.00 H new ATOM 0 HB THR A 60 7.549 -2.024 8.940 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.143 -3.736 9.197 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.960 -1.770 11.360 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.646 -0.203 10.578 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.373 -0.987 11.543 1.00 0.00 H new ATOM 954 N GLU A 61 7.321 -0.003 7.484 1.00 0.00 N ATOM 955 CA GLU A 61 8.035 1.104 6.860 1.00 0.00 C ATOM 956 C GLU A 61 7.059 2.141 6.312 1.00 0.00 C ATOM 957 O GLU A 61 7.209 3.340 6.551 1.00 0.00 O ATOM 958 CB GLU A 61 8.934 0.590 5.733 1.00 0.00 C ATOM 959 CG GLU A 61 8.301 0.687 4.356 1.00 0.00 C ATOM 960 CD GLU A 61 9.233 0.227 3.251 1.00 0.00 C ATOM 961 OE1 GLU A 61 10.463 0.364 3.417 1.00 0.00 O ATOM 962 OE2 GLU A 61 8.731 -0.271 2.222 1.00 0.00 O ATOM 0 H GLU A 61 7.673 -0.927 7.233 1.00 0.00 H new ATOM 0 HA GLU A 61 8.654 1.578 7.622 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.865 1.156 5.736 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.193 -0.450 5.932 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.393 0.084 4.335 1.00 0.00 H new ATOM 0 HG3 GLU A 61 8.003 1.719 4.169 1.00 0.00 H new ATOM 969 N LYS A 62 6.058 1.672 5.575 1.00 0.00 N ATOM 970 CA LYS A 62 5.056 2.557 4.992 1.00 0.00 C ATOM 971 C LYS A 62 4.560 3.568 6.021 1.00 0.00 C ATOM 972 O LYS A 62 4.292 4.724 5.691 1.00 0.00 O ATOM 973 CB LYS A 62 3.878 1.742 4.454 1.00 0.00 C ATOM 974 CG LYS A 62 4.035 1.335 2.999 1.00 0.00 C ATOM 975 CD LYS A 62 3.571 2.435 2.059 1.00 0.00 C ATOM 976 CE LYS A 62 4.338 2.407 0.746 1.00 0.00 C ATOM 977 NZ LYS A 62 5.559 3.258 0.799 1.00 0.00 N ATOM 0 H LYS A 62 5.919 0.683 5.367 1.00 0.00 H new ATOM 0 HA LYS A 62 5.521 3.100 4.169 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.759 0.846 5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 62 2.964 2.325 4.563 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.080 1.099 2.797 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.461 0.428 2.810 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.505 2.320 1.861 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.704 3.405 2.539 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.621 1.381 0.512 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.690 2.751 -0.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.054 3.212 -0.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.288 4.242 0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.189 2.915 1.552 1.00 0.00 H new ATOM 991 N LYS A 63 4.442 3.127 7.268 1.00 0.00 N ATOM 992 CA LYS A 63 3.981 3.994 8.347 1.00 0.00 C ATOM 993 C LYS A 63 4.834 5.256 8.432 1.00 0.00 C ATOM 994 O LYS A 63 4.313 6.362 8.574 1.00 0.00 O ATOM 995 CB LYS A 63 4.021 3.247 9.682 1.00 0.00 C ATOM 996 CG LYS A 63 3.166 1.992 9.702 1.00 0.00 C ATOM 997 CD LYS A 63 3.447 1.146 10.932 1.00 0.00 C ATOM 998 CE LYS A 63 2.534 -0.069 10.994 1.00 0.00 C ATOM 999 NZ LYS A 63 2.609 -0.754 12.314 1.00 0.00 N ATOM 0 H LYS A 63 4.659 2.173 7.558 1.00 0.00 H new ATOM 0 HA LYS A 63 2.953 4.285 8.132 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.053 2.977 9.907 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.687 3.917 10.474 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.112 2.268 9.682 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.358 1.405 8.804 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.487 0.820 10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.312 1.750 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 63 1.506 0.239 10.803 1.00 0.00 H new ATOM 0 HE3 LYS A 63 2.808 -0.770 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 1.972 -1.576 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.584 -1.071 12.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.323 -0.094 13.065 1.00 0.00 H new