USER MOD reduce.3.24.130724 H: found=0, std=0, add=381, rem=0, adj=10 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= -1.62 K(o=-1.6,f=-2.3) USER MOD Single : A 27 GLN : amide:sc= -2.38 K(o=-2.4,f=-6.8!) USER MOD Single : A 29 SER OG : rot 79:sc= -1.66! USER MOD Single : A 32 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.1!) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.175 X(o=-0.17,f=-0.15) USER MOD Single : A 47 GLN : amide:sc= -0.664 K(o=-0.66,f=-1.6) USER MOD Single : A 48 THR OG1 : rot -51:sc= 1.22 USER MOD Single : A 49 LYS NZ :NH3+ -112:sc= 0.25 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 75:sc= 0.415 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0626) USER MOD ----------------------------------------------------------------- ATOM 258 N THR A 19 7.474 -6.027 -7.029 1.00 0.00 N ATOM 259 CA THR A 19 7.004 -5.768 -8.384 1.00 0.00 C ATOM 260 C THR A 19 5.727 -4.935 -8.373 1.00 0.00 C ATOM 261 O THR A 19 4.937 -5.005 -7.432 1.00 0.00 O ATOM 262 CB THR A 19 6.741 -7.080 -9.147 1.00 0.00 C ATOM 263 OG1 THR A 19 6.383 -6.794 -10.504 1.00 0.00 O ATOM 264 CG2 THR A 19 5.630 -7.880 -8.482 1.00 0.00 C ATOM 0 HA THR A 19 7.792 -5.213 -8.892 1.00 0.00 H new ATOM 0 HB THR A 19 7.655 -7.674 -9.130 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.219 -7.633 -10.983 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.462 -8.802 -9.039 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.918 -8.121 -7.459 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.713 -7.291 -8.472 1.00 0.00 H new ATOM 272 N ALA A 20 5.531 -4.148 -9.425 1.00 0.00 N ATOM 273 CA ALA A 20 4.348 -3.303 -9.538 1.00 0.00 C ATOM 274 C ALA A 20 3.100 -4.041 -9.066 1.00 0.00 C ATOM 275 O ALA A 20 2.291 -3.494 -8.318 1.00 0.00 O ATOM 276 CB ALA A 20 4.173 -2.829 -10.973 1.00 0.00 C ATOM 0 H ALA A 20 6.176 -4.078 -10.212 1.00 0.00 H new ATOM 0 HA ALA A 20 4.489 -2.434 -8.895 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.286 -2.199 -11.043 1.00 0.00 H new ATOM 0 HB2 ALA A 20 5.049 -2.256 -11.276 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.058 -3.691 -11.630 1.00 0.00 H new ATOM 282 N GLU A 21 2.951 -5.285 -9.510 1.00 0.00 N ATOM 283 CA GLU A 21 1.799 -6.097 -9.133 1.00 0.00 C ATOM 284 C GLU A 21 1.678 -6.199 -7.615 1.00 0.00 C ATOM 285 O GLU A 21 0.634 -5.886 -7.044 1.00 0.00 O ATOM 286 CB GLU A 21 1.912 -7.496 -9.742 1.00 0.00 C ATOM 287 CG GLU A 21 0.608 -8.275 -9.722 1.00 0.00 C ATOM 288 CD GLU A 21 0.647 -9.501 -10.614 1.00 0.00 C ATOM 289 OE1 GLU A 21 0.906 -9.345 -11.826 1.00 0.00 O ATOM 290 OE2 GLU A 21 0.419 -10.616 -10.100 1.00 0.00 O ATOM 0 H GLU A 21 3.612 -5.752 -10.130 1.00 0.00 H new ATOM 0 HA GLU A 21 0.903 -5.612 -9.519 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.257 -7.408 -10.772 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.671 -8.060 -9.199 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.388 -8.581 -8.699 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.205 -7.623 -10.042 1.00 0.00 H new ATOM 297 N GLN A 22 2.754 -6.639 -6.970 1.00 0.00 N ATOM 298 CA GLN A 22 2.768 -6.783 -5.519 1.00 0.00 C ATOM 299 C GLN A 22 2.398 -5.470 -4.838 1.00 0.00 C ATOM 300 O GLN A 22 1.480 -5.421 -4.018 1.00 0.00 O ATOM 301 CB GLN A 22 4.147 -7.247 -5.045 1.00 0.00 C ATOM 302 CG GLN A 22 4.435 -8.708 -5.352 1.00 0.00 C ATOM 303 CD GLN A 22 5.807 -9.144 -4.876 1.00 0.00 C ATOM 304 OE1 GLN A 22 6.705 -8.320 -4.695 1.00 0.00 O ATOM 305 NE2 GLN A 22 5.977 -10.444 -4.669 1.00 0.00 N ATOM 0 H GLN A 22 3.626 -6.902 -7.429 1.00 0.00 H new ATOM 0 HA GLN A 22 2.026 -7.534 -5.246 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.911 -6.628 -5.515 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.225 -7.088 -3.970 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.676 -9.331 -4.880 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.358 -8.872 -6.427 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.206 -11.091 -4.832 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.879 -10.796 -4.347 1.00 0.00 H new ATOM 314 N LEU A 23 3.119 -4.408 -5.181 1.00 0.00 N ATOM 315 CA LEU A 23 2.867 -3.093 -4.602 1.00 0.00 C ATOM 316 C LEU A 23 1.401 -2.701 -4.757 1.00 0.00 C ATOM 317 O LEU A 23 0.706 -2.454 -3.771 1.00 0.00 O ATOM 318 CB LEU A 23 3.760 -2.042 -5.264 1.00 0.00 C ATOM 319 CG LEU A 23 5.160 -1.881 -4.669 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.904 -0.746 -5.357 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.077 -1.636 -3.170 1.00 0.00 C ATOM 0 H LEU A 23 3.883 -4.432 -5.857 1.00 0.00 H new ATOM 0 HA LEU A 23 3.101 -3.142 -3.538 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.862 -2.294 -6.320 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.252 -1.079 -5.214 1.00 0.00 H new ATOM 0 HG LEU A 23 5.714 -2.805 -4.835 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.898 -0.646 -4.921 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.995 -0.963 -6.421 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.353 0.185 -5.222 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.082 -1.524 -2.763 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.506 -0.727 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.584 -2.481 -2.690 1.00 0.00 H new ATOM 333 N ARG A 24 0.937 -2.649 -6.001 1.00 0.00 N ATOM 334 CA ARG A 24 -0.447 -2.288 -6.286 1.00 0.00 C ATOM 335 C ARG A 24 -1.389 -2.880 -5.241 1.00 0.00 C ATOM 336 O ARG A 24 -2.416 -2.287 -4.910 1.00 0.00 O ATOM 337 CB ARG A 24 -0.846 -2.774 -7.681 1.00 0.00 C ATOM 338 CG ARG A 24 -2.313 -2.545 -8.009 1.00 0.00 C ATOM 339 CD ARG A 24 -2.551 -2.522 -9.511 1.00 0.00 C ATOM 340 NE ARG A 24 -3.871 -1.998 -9.847 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.210 -1.586 -11.064 1.00 0.00 C ATOM 342 NH1 ARG A 24 -3.330 -1.639 -12.054 1.00 0.00 N ATOM 343 NH2 ARG A 24 -5.432 -1.121 -11.292 1.00 0.00 N ATOM 0 H ARG A 24 1.499 -2.852 -6.828 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.528 -1.202 -6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.232 -2.264 -8.424 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.626 -3.838 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.915 -3.332 -7.556 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.642 -1.602 -7.573 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -1.786 -1.911 -9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.449 -3.531 -9.910 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.571 -1.945 -9.107 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.390 -1.997 -11.882 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.593 -1.322 -12.987 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.112 -1.080 -10.533 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.691 -0.805 -12.226 1.00 0.00 H new ATOM 357 N VAL A 25 -1.032 -4.051 -4.726 1.00 0.00 N ATOM 358 CA VAL A 25 -1.844 -4.723 -3.718 1.00 0.00 C ATOM 359 C VAL A 25 -1.536 -4.194 -2.322 1.00 0.00 C ATOM 360 O VAL A 25 -2.371 -3.541 -1.695 1.00 0.00 O ATOM 361 CB VAL A 25 -1.618 -6.246 -3.739 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.455 -6.925 -2.666 1.00 0.00 C ATOM 363 CG2 VAL A 25 -1.939 -6.813 -5.114 1.00 0.00 C ATOM 0 H VAL A 25 -0.185 -4.555 -4.990 1.00 0.00 H new ATOM 0 HA VAL A 25 -2.886 -4.514 -3.961 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.567 -6.443 -3.526 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.282 -8.001 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.173 -6.539 -1.686 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.511 -6.722 -2.845 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.774 -7.890 -5.111 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.981 -6.606 -5.359 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.293 -6.349 -5.859 1.00 0.00 H new ATOM 373 N LEU A 26 -0.331 -4.479 -1.840 1.00 0.00 N ATOM 374 CA LEU A 26 0.089 -4.032 -0.516 1.00 0.00 C ATOM 375 C LEU A 26 -0.371 -2.601 -0.254 1.00 0.00 C ATOM 376 O LEU A 26 -0.887 -2.293 0.821 1.00 0.00 O ATOM 377 CB LEU A 26 1.610 -4.122 -0.385 1.00 0.00 C ATOM 378 CG LEU A 26 2.227 -5.495 -0.656 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.634 -5.348 -1.214 1.00 0.00 C ATOM 380 CD2 LEU A 26 2.240 -6.334 0.614 1.00 0.00 C ATOM 0 H LEU A 26 0.372 -5.017 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.373 -4.685 0.225 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.057 -3.403 -1.072 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.887 -3.814 0.623 1.00 0.00 H new ATOM 0 HG LEU A 26 1.615 -6.006 -1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.056 -6.335 -1.400 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.598 -4.786 -2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.257 -4.817 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.682 -7.307 0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.828 -5.827 1.379 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.219 -6.469 0.971 1.00 0.00 H new ATOM 392 N GLN A 27 -0.183 -1.734 -1.243 1.00 0.00 N ATOM 393 CA GLN A 27 -0.581 -0.336 -1.118 1.00 0.00 C ATOM 394 C GLN A 27 -2.093 -0.212 -0.967 1.00 0.00 C ATOM 395 O GLN A 27 -2.585 0.647 -0.237 1.00 0.00 O ATOM 396 CB GLN A 27 -0.110 0.460 -2.336 1.00 0.00 C ATOM 397 CG GLN A 27 0.192 1.918 -2.030 1.00 0.00 C ATOM 398 CD GLN A 27 -1.062 2.764 -1.925 1.00 0.00 C ATOM 399 OE1 GLN A 27 -1.326 3.377 -0.890 1.00 0.00 O ATOM 400 NE2 GLN A 27 -1.843 2.803 -2.998 1.00 0.00 N ATOM 0 H GLN A 27 0.242 -1.974 -2.139 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.111 0.071 -0.223 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.785 -0.010 -2.743 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.876 0.411 -3.110 1.00 0.00 H new ATOM 0 HG2 GLN A 27 0.748 1.981 -1.095 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.835 2.324 -2.811 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.586 2.280 -3.835 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.700 3.356 -2.985 1.00 0.00 H new ATOM 409 N ALA A 28 -2.825 -1.075 -1.664 1.00 0.00 N ATOM 410 CA ALA A 28 -4.281 -1.063 -1.607 1.00 0.00 C ATOM 411 C ALA A 28 -4.782 -1.585 -0.264 1.00 0.00 C ATOM 412 O ALA A 28 -5.851 -1.194 0.205 1.00 0.00 O ATOM 413 CB ALA A 28 -4.862 -1.888 -2.746 1.00 0.00 C ATOM 0 H ALA A 28 -2.433 -1.792 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.615 -0.031 -1.714 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.950 -1.870 -2.690 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.540 -1.469 -3.700 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.512 -2.917 -2.665 1.00 0.00 H new ATOM 419 N SER A 29 -4.003 -2.470 0.349 1.00 0.00 N ATOM 420 CA SER A 29 -4.370 -3.050 1.636 1.00 0.00 C ATOM 421 C SER A 29 -3.943 -2.139 2.783 1.00 0.00 C ATOM 422 O SER A 29 -4.778 -1.631 3.531 1.00 0.00 O ATOM 423 CB SER A 29 -3.730 -4.429 1.799 1.00 0.00 C ATOM 424 OG SER A 29 -4.510 -5.432 1.171 1.00 0.00 O ATOM 0 H SER A 29 -3.114 -2.801 -0.025 1.00 0.00 H new ATOM 0 HA SER A 29 -5.454 -3.156 1.663 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.728 -4.421 1.370 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.621 -4.659 2.859 1.00 0.00 H new ATOM 0 HG SER A 29 -4.346 -5.417 0.205 1.00 0.00 H new ATOM 430 N PHE A 30 -2.636 -1.938 2.915 1.00 0.00 N ATOM 431 CA PHE A 30 -2.096 -1.090 3.972 1.00 0.00 C ATOM 432 C PHE A 30 -2.949 0.162 4.153 1.00 0.00 C ATOM 433 O PHE A 30 -3.235 0.576 5.278 1.00 0.00 O ATOM 434 CB PHE A 30 -0.653 -0.695 3.651 1.00 0.00 C ATOM 435 CG PHE A 30 -0.159 0.474 4.453 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.323 1.769 3.989 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.471 0.278 5.672 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.130 2.847 4.725 1.00 0.00 C ATOM 439 CE2 PHE A 30 0.926 1.353 6.412 1.00 0.00 C ATOM 440 CZ PHE A 30 0.757 2.639 5.938 1.00 0.00 C ATOM 0 H PHE A 30 -1.931 -2.350 2.304 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.112 -1.657 4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -0.002 -1.550 3.832 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.578 -0.455 2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.811 1.938 3.040 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.608 -0.725 6.048 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.006 3.851 4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.414 1.187 7.361 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.114 3.480 6.514 1.00 0.00 H new ATOM 450 N LEU A 31 -3.353 0.762 3.038 1.00 0.00 N ATOM 451 CA LEU A 31 -4.173 1.968 3.073 1.00 0.00 C ATOM 452 C LEU A 31 -5.350 1.799 4.028 1.00 0.00 C ATOM 453 O LEU A 31 -5.460 2.512 5.025 1.00 0.00 O ATOM 454 CB LEU A 31 -4.684 2.301 1.670 1.00 0.00 C ATOM 455 CG LEU A 31 -3.745 3.132 0.793 1.00 0.00 C ATOM 456 CD1 LEU A 31 -4.214 3.117 -0.653 1.00 0.00 C ATOM 457 CD2 LEU A 31 -3.655 4.559 1.312 1.00 0.00 C ATOM 0 H LEU A 31 -3.126 0.433 2.099 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.553 2.789 3.432 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.900 1.366 1.152 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.628 2.837 1.767 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.750 2.688 0.835 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.534 3.713 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.226 2.091 -1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.218 3.536 -0.714 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.983 5.136 0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.646 5.014 1.300 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.272 4.552 2.332 1.00 0.00 H new ATOM 469 N ASN A 32 -6.227 0.850 3.717 1.00 0.00 N ATOM 470 CA ASN A 32 -7.395 0.586 4.548 1.00 0.00 C ATOM 471 C ASN A 32 -7.009 0.515 6.023 1.00 0.00 C ATOM 472 O ASN A 32 -7.651 1.131 6.874 1.00 0.00 O ATOM 473 CB ASN A 32 -8.066 -0.721 4.122 1.00 0.00 C ATOM 474 CG ASN A 32 -9.496 -0.825 4.616 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.856 -0.237 5.636 1.00 0.00 O ATOM 476 ND2 ASN A 32 -10.318 -1.576 3.893 1.00 0.00 N ATOM 0 H ASN A 32 -6.150 0.251 2.895 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.098 1.408 4.414 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -8.054 -0.795 3.035 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.490 -1.563 4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.292 -1.684 4.176 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.976 -2.045 3.054 1.00 0.00 H new ATOM 483 N SER A 33 -5.955 -0.240 6.317 1.00 0.00 N ATOM 484 CA SER A 33 -5.484 -0.394 7.688 1.00 0.00 C ATOM 485 C SER A 33 -3.959 -0.387 7.743 1.00 0.00 C ATOM 486 O SER A 33 -3.300 -1.186 7.079 1.00 0.00 O ATOM 487 CB SER A 33 -6.022 -1.693 8.291 1.00 0.00 C ATOM 488 OG SER A 33 -7.437 -1.679 8.353 1.00 0.00 O ATOM 0 H SER A 33 -5.411 -0.754 5.624 1.00 0.00 H new ATOM 0 HA SER A 33 -5.855 0.449 8.271 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.690 -2.541 7.692 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.612 -1.830 9.292 1.00 0.00 H new ATOM 0 HG SER A 33 -7.756 -2.521 8.741 1.00 0.00 H new ATOM 494 N SER A 34 -3.406 0.521 8.540 1.00 0.00 N ATOM 495 CA SER A 34 -1.959 0.636 8.680 1.00 0.00 C ATOM 496 C SER A 34 -1.381 -0.594 9.374 1.00 0.00 C ATOM 497 O SER A 34 -0.343 -1.118 8.970 1.00 0.00 O ATOM 498 CB SER A 34 -1.600 1.896 9.469 1.00 0.00 C ATOM 499 OG SER A 34 -2.340 1.971 10.675 1.00 0.00 O ATOM 0 H SER A 34 -3.938 1.188 9.099 1.00 0.00 H new ATOM 0 HA SER A 34 -1.527 0.706 7.682 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.533 1.897 9.693 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.799 2.779 8.861 1.00 0.00 H new ATOM 0 HG SER A 34 -2.091 2.784 11.162 1.00 0.00 H new ATOM 505 N VAL A 35 -2.062 -1.049 10.421 1.00 0.00 N ATOM 506 CA VAL A 35 -1.618 -2.218 11.172 1.00 0.00 C ATOM 507 C VAL A 35 -2.068 -3.508 10.496 1.00 0.00 C ATOM 508 O VAL A 35 -3.259 -3.713 10.256 1.00 0.00 O ATOM 509 CB VAL A 35 -2.153 -2.193 12.616 1.00 0.00 C ATOM 510 CG1 VAL A 35 -1.561 -1.022 13.385 1.00 0.00 C ATOM 511 CG2 VAL A 35 -3.673 -2.131 12.620 1.00 0.00 C ATOM 0 H VAL A 35 -2.923 -0.626 10.768 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.529 -2.185 11.196 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.849 -3.114 13.114 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.951 -1.021 14.403 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.475 -1.116 13.412 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.832 -0.089 12.892 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.034 -2.114 13.648 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.002 -1.228 12.105 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.074 -3.006 12.109 1.00 0.00 H new ATOM 521 N LEU A 36 -1.110 -4.376 10.193 1.00 0.00 N ATOM 522 CA LEU A 36 -1.407 -5.649 9.545 1.00 0.00 C ATOM 523 C LEU A 36 -1.999 -6.642 10.541 1.00 0.00 C ATOM 524 O LEU A 36 -1.503 -6.787 11.659 1.00 0.00 O ATOM 525 CB LEU A 36 -0.140 -6.233 8.918 1.00 0.00 C ATOM 526 CG LEU A 36 -0.353 -7.236 7.783 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.041 -6.568 6.603 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.973 -7.846 7.354 1.00 0.00 C ATOM 0 H LEU A 36 -0.120 -4.222 10.386 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.142 -5.466 8.761 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.466 -5.410 8.540 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.438 -6.720 9.703 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.997 -8.036 8.147 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.184 -7.297 5.805 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.010 -6.180 6.918 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.423 -5.748 6.238 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.802 -8.557 6.546 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.641 -7.057 7.008 1.00 0.00 H new ATOM 0 HD23 LEU A 36 1.427 -8.361 8.200 1.00 0.00 H new ATOM 540 N THR A 37 -3.061 -7.325 10.127 1.00 0.00 N ATOM 541 CA THR A 37 -3.720 -8.305 10.981 1.00 0.00 C ATOM 542 C THR A 37 -3.595 -9.710 10.404 1.00 0.00 C ATOM 543 O THR A 37 -3.577 -9.892 9.186 1.00 0.00 O ATOM 544 CB THR A 37 -5.211 -7.971 11.173 1.00 0.00 C ATOM 545 OG1 THR A 37 -5.874 -7.943 9.903 1.00 0.00 O ATOM 546 CG2 THR A 37 -5.381 -6.629 11.869 1.00 0.00 C ATOM 0 H THR A 37 -3.483 -7.217 9.205 1.00 0.00 H new ATOM 0 HA THR A 37 -3.220 -8.267 11.949 1.00 0.00 H new ATOM 0 HB THR A 37 -5.656 -8.745 11.798 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.822 -7.732 10.033 1.00 0.00 H new ATOM 0 HG21 THR A 37 -6.443 -6.415 11.993 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.901 -6.663 12.847 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.921 -5.846 11.266 1.00 0.00 H new ATOM 554 N ASP A 38 -3.511 -10.702 11.284 1.00 0.00 N ATOM 555 CA ASP A 38 -3.390 -12.092 10.861 1.00 0.00 C ATOM 556 C ASP A 38 -4.301 -12.379 9.672 1.00 0.00 C ATOM 557 O ASP A 38 -3.965 -13.182 8.801 1.00 0.00 O ATOM 558 CB ASP A 38 -3.731 -13.031 12.019 1.00 0.00 C ATOM 559 CG ASP A 38 -2.531 -13.328 12.896 1.00 0.00 C ATOM 560 OD1 ASP A 38 -1.551 -13.910 12.385 1.00 0.00 O ATOM 561 OD2 ASP A 38 -2.571 -12.977 14.094 1.00 0.00 O ATOM 0 H ASP A 38 -3.525 -10.569 12.295 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.358 -12.265 10.555 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.519 -12.584 12.625 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -4.127 -13.965 11.621 1.00 0.00 H new ATOM 566 N GLU A 39 -5.454 -11.718 9.642 1.00 0.00 N ATOM 567 CA GLU A 39 -6.413 -11.905 8.561 1.00 0.00 C ATOM 568 C GLU A 39 -5.886 -11.313 7.257 1.00 0.00 C ATOM 569 O GLU A 39 -5.527 -12.042 6.333 1.00 0.00 O ATOM 570 CB GLU A 39 -7.754 -11.260 8.921 1.00 0.00 C ATOM 571 CG GLU A 39 -8.639 -10.985 7.717 1.00 0.00 C ATOM 572 CD GLU A 39 -10.116 -11.032 8.057 1.00 0.00 C ATOM 573 OE1 GLU A 39 -10.674 -12.147 8.127 1.00 0.00 O ATOM 574 OE2 GLU A 39 -10.714 -9.953 8.253 1.00 0.00 O ATOM 0 H GLU A 39 -5.746 -11.049 10.354 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.559 -12.976 8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.288 -11.912 9.612 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.568 -10.323 9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.395 -10.005 7.308 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.425 -11.718 6.939 1.00 0.00 H new ATOM 581 N GLU A 40 -5.842 -9.986 7.192 1.00 0.00 N ATOM 582 CA GLU A 40 -5.359 -9.296 6.001 1.00 0.00 C ATOM 583 C GLU A 40 -4.032 -9.884 5.531 1.00 0.00 C ATOM 584 O GLU A 40 -3.840 -10.142 4.342 1.00 0.00 O ATOM 585 CB GLU A 40 -5.195 -7.800 6.283 1.00 0.00 C ATOM 586 CG GLU A 40 -4.561 -7.031 5.136 1.00 0.00 C ATOM 587 CD GLU A 40 -5.570 -6.615 4.084 1.00 0.00 C ATOM 588 OE1 GLU A 40 -6.191 -7.509 3.472 1.00 0.00 O ATOM 589 OE2 GLU A 40 -5.738 -5.396 3.872 1.00 0.00 O ATOM 0 H GLU A 40 -6.134 -9.368 7.949 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.097 -9.431 5.210 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.173 -7.370 6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.584 -7.672 7.177 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.065 -6.144 5.529 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -3.791 -7.648 4.672 1.00 0.00 H new ATOM 596 N LEU A 41 -3.119 -10.095 6.473 1.00 0.00 N ATOM 597 CA LEU A 41 -1.809 -10.653 6.157 1.00 0.00 C ATOM 598 C LEU A 41 -1.937 -11.838 5.205 1.00 0.00 C ATOM 599 O LEU A 41 -1.306 -11.870 4.149 1.00 0.00 O ATOM 600 CB LEU A 41 -1.095 -11.088 7.438 1.00 0.00 C ATOM 601 CG LEU A 41 0.423 -11.247 7.340 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.044 -11.303 8.726 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.777 -12.495 6.544 1.00 0.00 C ATOM 0 H LEU A 41 -3.262 -9.888 7.462 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.220 -9.878 5.666 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.314 -10.359 8.218 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.520 -12.038 7.762 1.00 0.00 H new ATOM 0 HG LEU A 41 0.828 -10.380 6.818 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.124 -11.416 8.636 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.819 -10.381 9.263 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.634 -12.151 9.274 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.861 -12.593 6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.360 -13.372 7.039 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.364 -12.415 5.539 1.00 0.00 H new ATOM 615 N ASN A 42 -2.760 -12.809 5.585 1.00 0.00 N ATOM 616 CA ASN A 42 -2.972 -13.996 4.765 1.00 0.00 C ATOM 617 C ASN A 42 -3.336 -13.610 3.334 1.00 0.00 C ATOM 618 O ASN A 42 -2.602 -13.913 2.393 1.00 0.00 O ATOM 619 CB ASN A 42 -4.078 -14.866 5.366 1.00 0.00 C ATOM 620 CG ASN A 42 -3.559 -15.793 6.449 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.612 -16.550 6.232 1.00 0.00 O ATOM 622 ND2 ASN A 42 -4.179 -15.738 7.622 1.00 0.00 N ATOM 0 H ASN A 42 -3.291 -12.798 6.456 1.00 0.00 H new ATOM 0 HA ASN A 42 -2.042 -14.564 4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.855 -14.225 5.782 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.541 -15.457 4.576 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.875 -16.338 8.388 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.959 -15.095 7.757 1.00 0.00 H new ATOM 629 N ARG A 43 -4.473 -12.940 3.178 1.00 0.00 N ATOM 630 CA ARG A 43 -4.934 -12.513 1.863 1.00 0.00 C ATOM 631 C ARG A 43 -3.761 -12.073 0.992 1.00 0.00 C ATOM 632 O ARG A 43 -3.581 -12.568 -0.122 1.00 0.00 O ATOM 633 CB ARG A 43 -5.940 -11.369 1.998 1.00 0.00 C ATOM 634 CG ARG A 43 -7.376 -11.837 2.169 1.00 0.00 C ATOM 635 CD ARG A 43 -7.613 -12.411 3.558 1.00 0.00 C ATOM 636 NE ARG A 43 -7.239 -13.820 3.639 1.00 0.00 N ATOM 637 CZ ARG A 43 -7.689 -14.647 4.576 1.00 0.00 C ATOM 638 NH1 ARG A 43 -8.526 -14.208 5.506 1.00 0.00 N ATOM 639 NH2 ARG A 43 -7.302 -15.916 4.584 1.00 0.00 N ATOM 0 H ARG A 43 -5.092 -12.681 3.946 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.422 -13.362 1.384 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.664 -10.753 2.853 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.876 -10.735 1.114 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -8.055 -11.001 1.999 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.606 -12.593 1.418 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.039 -11.841 4.289 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.665 -12.299 3.822 1.00 0.00 H new ATOM 0 HE ARG A 43 -6.597 -14.189 2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.826 -13.233 5.503 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -8.870 -14.845 6.224 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.658 -16.257 3.870 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.648 -16.550 5.304 1.00 0.00 H new ATOM 653 N LEU A 44 -2.966 -11.141 1.506 1.00 0.00 N ATOM 654 CA LEU A 44 -1.810 -10.633 0.775 1.00 0.00 C ATOM 655 C LEU A 44 -0.787 -11.740 0.538 1.00 0.00 C ATOM 656 O LEU A 44 -0.283 -11.904 -0.573 1.00 0.00 O ATOM 657 CB LEU A 44 -1.163 -9.480 1.544 1.00 0.00 C ATOM 658 CG LEU A 44 -2.067 -8.286 1.850 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.593 -7.564 3.102 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.110 -7.332 0.666 1.00 0.00 C ATOM 0 H LEU A 44 -3.101 -10.722 2.426 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.154 -10.268 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.778 -9.869 2.486 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.306 -9.124 0.972 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.076 -8.656 2.029 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.249 -6.717 3.304 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.616 -8.250 3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.574 -7.206 2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.758 -6.488 0.902 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.104 -6.969 0.455 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.498 -7.854 -0.208 1.00 0.00 H new ATOM 672 N ARG A 45 -0.487 -12.496 1.589 1.00 0.00 N ATOM 673 CA ARG A 45 0.475 -13.588 1.494 1.00 0.00 C ATOM 674 C ARG A 45 0.197 -14.452 0.268 1.00 0.00 C ATOM 675 O ARG A 45 1.095 -15.114 -0.253 1.00 0.00 O ATOM 676 CB ARG A 45 0.428 -14.447 2.759 1.00 0.00 C ATOM 677 CG ARG A 45 1.759 -15.097 3.103 1.00 0.00 C ATOM 678 CD ARG A 45 1.874 -15.375 4.593 1.00 0.00 C ATOM 679 NE ARG A 45 2.738 -16.519 4.872 1.00 0.00 N ATOM 680 CZ ARG A 45 2.463 -17.759 4.482 1.00 0.00 C ATOM 681 NH1 ARG A 45 1.355 -18.013 3.801 1.00 0.00 N ATOM 682 NH2 ARG A 45 3.299 -18.748 4.774 1.00 0.00 N ATOM 0 H ARG A 45 -0.896 -12.373 2.515 1.00 0.00 H new ATOM 0 HA ARG A 45 1.470 -13.155 1.393 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.108 -13.828 3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.325 -15.225 2.632 1.00 0.00 H new ATOM 0 HG2 ARG A 45 1.864 -16.030 2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.575 -14.446 2.789 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.268 -14.492 5.097 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.882 -15.561 5.004 1.00 0.00 H new ATOM 0 HE ARG A 45 3.599 -16.357 5.394 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.710 -17.256 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.147 -18.966 3.503 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.153 -18.556 5.298 1.00 0.00 H new ATOM 0 HH22 ARG A 45 3.087 -19.700 4.474 1.00 0.00 H new ATOM 696 N ALA A 46 -1.051 -14.442 -0.187 1.00 0.00 N ATOM 697 CA ALA A 46 -1.446 -15.223 -1.352 1.00 0.00 C ATOM 698 C ALA A 46 -1.343 -14.395 -2.629 1.00 0.00 C ATOM 699 O ALA A 46 -0.640 -14.771 -3.567 1.00 0.00 O ATOM 700 CB ALA A 46 -2.862 -15.753 -1.177 1.00 0.00 C ATOM 0 H ALA A 46 -1.806 -13.901 0.234 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.762 -16.067 -1.441 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -3.144 -16.335 -2.055 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.906 -16.388 -0.292 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.551 -14.917 -1.059 1.00 0.00 H new ATOM 706 N GLN A 47 -2.049 -13.270 -2.658 1.00 0.00 N ATOM 707 CA GLN A 47 -2.036 -12.390 -3.821 1.00 0.00 C ATOM 708 C GLN A 47 -0.610 -12.004 -4.197 1.00 0.00 C ATOM 709 O GLN A 47 -0.163 -12.250 -5.318 1.00 0.00 O ATOM 710 CB GLN A 47 -2.862 -11.132 -3.544 1.00 0.00 C ATOM 711 CG GLN A 47 -4.347 -11.404 -3.373 1.00 0.00 C ATOM 712 CD GLN A 47 -4.904 -12.304 -4.459 1.00 0.00 C ATOM 713 OE1 GLN A 47 -4.712 -13.520 -4.432 1.00 0.00 O ATOM 714 NE2 GLN A 47 -5.600 -11.711 -5.421 1.00 0.00 N ATOM 0 H GLN A 47 -2.637 -12.946 -1.890 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.478 -12.930 -4.658 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.483 -10.650 -2.643 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.722 -10.428 -4.364 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.518 -11.865 -2.401 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.889 -10.458 -3.377 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -5.735 -10.700 -5.404 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.000 -12.266 -6.177 1.00 0.00 H new ATOM 723 N THR A 48 0.103 -11.398 -3.252 1.00 0.00 N ATOM 724 CA THR A 48 1.479 -10.977 -3.484 1.00 0.00 C ATOM 725 C THR A 48 2.412 -12.178 -3.585 1.00 0.00 C ATOM 726 O THR A 48 3.557 -12.053 -4.019 1.00 0.00 O ATOM 727 CB THR A 48 1.978 -10.046 -2.363 1.00 0.00 C ATOM 728 OG1 THR A 48 2.114 -10.780 -1.141 1.00 0.00 O ATOM 729 CG2 THR A 48 1.019 -8.883 -2.159 1.00 0.00 C ATOM 0 H THR A 48 -0.250 -11.188 -2.319 1.00 0.00 H new ATOM 0 HA THR A 48 1.488 -10.433 -4.429 1.00 0.00 H new ATOM 0 HB THR A 48 2.949 -9.648 -2.656 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.287 -11.274 -0.962 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.392 -8.239 -1.363 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.941 -8.310 -3.083 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.036 -9.266 -1.885 1.00 0.00 H new ATOM 737 N LYS A 49 1.915 -13.343 -3.182 1.00 0.00 N ATOM 738 CA LYS A 49 2.704 -14.569 -3.229 1.00 0.00 C ATOM 739 C LYS A 49 3.991 -14.418 -2.425 1.00 0.00 C ATOM 740 O LYS A 49 5.000 -15.060 -2.723 1.00 0.00 O ATOM 741 CB LYS A 49 3.034 -14.932 -4.678 1.00 0.00 C ATOM 742 CG LYS A 49 1.808 -15.093 -5.560 1.00 0.00 C ATOM 743 CD LYS A 49 1.201 -16.479 -5.423 1.00 0.00 C ATOM 744 CE LYS A 49 0.239 -16.781 -6.562 1.00 0.00 C ATOM 745 NZ LYS A 49 -1.144 -16.322 -6.256 1.00 0.00 N ATOM 0 H LYS A 49 0.969 -13.464 -2.819 1.00 0.00 H new ATOM 0 HA LYS A 49 2.112 -15.370 -2.787 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.676 -14.159 -5.100 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.604 -15.861 -4.690 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.065 -14.341 -5.293 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.081 -14.916 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 49 1.995 -17.225 -5.408 1.00 0.00 H new ATOM 0 HD3 LYS A 49 0.675 -16.555 -4.471 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.590 -16.295 -7.472 1.00 0.00 H new ATOM 0 HE3 LYS A 49 0.231 -17.854 -6.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -1.766 -17.147 -6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -1.139 -15.766 -5.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -1.495 -15.732 -7.037 1.00 0.00 H new ATOM 759 N LEU A 50 3.951 -13.568 -1.404 1.00 0.00 N ATOM 760 CA LEU A 50 5.114 -13.335 -0.556 1.00 0.00 C ATOM 761 C LEU A 50 4.914 -13.953 0.824 1.00 0.00 C ATOM 762 O LEU A 50 3.912 -14.622 1.078 1.00 0.00 O ATOM 763 CB LEU A 50 5.379 -11.835 -0.422 1.00 0.00 C ATOM 764 CG LEU A 50 6.131 -11.179 -1.582 1.00 0.00 C ATOM 765 CD1 LEU A 50 5.895 -9.677 -1.589 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.618 -11.487 -1.495 1.00 0.00 C ATOM 0 H LEU A 50 3.125 -13.029 -1.144 1.00 0.00 H new ATOM 0 HA LEU A 50 5.976 -13.810 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.422 -11.327 -0.302 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.946 -11.667 0.494 1.00 0.00 H new ATOM 0 HG LEU A 50 5.749 -11.590 -2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.437 -9.227 -2.421 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.829 -9.477 -1.700 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.249 -9.249 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 50 8.137 -11.013 -2.328 1.00 0.00 H new ATOM 0 HD22 LEU A 50 8.014 -11.104 -0.555 1.00 0.00 H new ATOM 0 HD23 LEU A 50 7.769 -12.565 -1.540 1.00 0.00 H new ATOM 778 N THR A 51 5.875 -13.723 1.714 1.00 0.00 N ATOM 779 CA THR A 51 5.804 -14.256 3.069 1.00 0.00 C ATOM 780 C THR A 51 5.536 -13.149 4.082 1.00 0.00 C ATOM 781 O THR A 51 5.999 -12.020 3.919 1.00 0.00 O ATOM 782 CB THR A 51 7.105 -14.985 3.455 1.00 0.00 C ATOM 783 OG1 THR A 51 7.002 -15.501 4.786 1.00 0.00 O ATOM 784 CG2 THR A 51 8.299 -14.047 3.360 1.00 0.00 C ATOM 0 H THR A 51 6.711 -13.172 1.521 1.00 0.00 H new ATOM 0 HA THR A 51 4.979 -14.968 3.085 1.00 0.00 H new ATOM 0 HB THR A 51 7.254 -15.809 2.758 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.833 -15.964 5.022 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.206 -14.584 3.637 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.393 -13.680 2.338 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.155 -13.205 4.037 1.00 0.00 H new ATOM 792 N ARG A 52 4.787 -13.479 5.129 1.00 0.00 N ATOM 793 CA ARG A 52 4.457 -12.512 6.169 1.00 0.00 C ATOM 794 C ARG A 52 5.648 -11.605 6.465 1.00 0.00 C ATOM 795 O ARG A 52 5.513 -10.382 6.513 1.00 0.00 O ATOM 796 CB ARG A 52 4.021 -13.233 7.446 1.00 0.00 C ATOM 797 CG ARG A 52 5.113 -14.089 8.065 1.00 0.00 C ATOM 798 CD ARG A 52 4.556 -15.014 9.136 1.00 0.00 C ATOM 799 NE ARG A 52 4.127 -14.281 10.323 1.00 0.00 N ATOM 800 CZ ARG A 52 4.968 -13.735 11.194 1.00 0.00 C ATOM 801 NH1 ARG A 52 6.277 -13.840 11.012 1.00 0.00 N ATOM 802 NH2 ARG A 52 4.500 -13.083 12.251 1.00 0.00 N ATOM 0 H ARG A 52 4.397 -14.409 5.280 1.00 0.00 H new ATOM 0 HA ARG A 52 3.633 -11.896 5.809 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.693 -12.494 8.177 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.160 -13.863 7.222 1.00 0.00 H new ATOM 0 HG2 ARG A 52 5.598 -14.680 7.288 1.00 0.00 H new ATOM 0 HG3 ARG A 52 5.878 -13.446 8.500 1.00 0.00 H new ATOM 0 HD2 ARG A 52 3.712 -15.572 8.730 1.00 0.00 H new ATOM 0 HD3 ARG A 52 5.316 -15.744 9.416 1.00 0.00 H new ATOM 0 HE ARG A 52 3.126 -14.183 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.641 -14.341 10.201 1.00 0.00 H new ATOM 0 HH12 ARG A 52 6.920 -13.420 11.683 1.00 0.00 H new ATOM 0 HH21 ARG A 52 3.494 -13.001 12.395 1.00 0.00 H new ATOM 0 HH22 ARG A 52 5.147 -12.664 12.919 1.00 0.00 H new ATOM 816 N ARG A 53 6.813 -12.213 6.663 1.00 0.00 N ATOM 817 CA ARG A 53 8.027 -11.461 6.957 1.00 0.00 C ATOM 818 C ARG A 53 8.212 -10.318 5.963 1.00 0.00 C ATOM 819 O ARG A 53 8.500 -9.186 6.351 1.00 0.00 O ATOM 820 CB ARG A 53 9.246 -12.384 6.921 1.00 0.00 C ATOM 821 CG ARG A 53 10.563 -11.665 7.165 1.00 0.00 C ATOM 822 CD ARG A 53 10.913 -11.632 8.645 1.00 0.00 C ATOM 823 NE ARG A 53 10.204 -10.569 9.351 1.00 0.00 N ATOM 824 CZ ARG A 53 10.418 -10.265 10.627 1.00 0.00 C ATOM 825 NH1 ARG A 53 11.316 -10.940 11.331 1.00 0.00 N ATOM 826 NH2 ARG A 53 9.733 -9.283 11.200 1.00 0.00 N ATOM 0 H ARG A 53 6.942 -13.224 6.625 1.00 0.00 H new ATOM 0 HA ARG A 53 7.929 -11.039 7.957 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.123 -13.164 7.673 1.00 0.00 H new ATOM 0 HB3 ARG A 53 9.287 -12.880 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 53 11.359 -12.164 6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 53 10.499 -10.646 6.782 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.668 -12.593 9.097 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.988 -11.490 8.760 1.00 0.00 H new ATOM 0 HE ARG A 53 9.507 -10.030 8.837 1.00 0.00 H new ATOM 0 HH11 ARG A 53 11.845 -11.695 10.894 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.478 -10.705 12.310 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.042 -8.761 10.661 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.898 -9.050 12.179 1.00 0.00 H new ATOM 840 N GLU A 54 8.044 -10.623 4.680 1.00 0.00 N ATOM 841 CA GLU A 54 8.194 -9.621 3.631 1.00 0.00 C ATOM 842 C GLU A 54 7.084 -8.577 3.713 1.00 0.00 C ATOM 843 O GLU A 54 7.341 -7.375 3.636 1.00 0.00 O ATOM 844 CB GLU A 54 8.183 -10.286 2.253 1.00 0.00 C ATOM 845 CG GLU A 54 9.356 -11.223 2.020 1.00 0.00 C ATOM 846 CD GLU A 54 10.676 -10.485 1.898 1.00 0.00 C ATOM 847 OE1 GLU A 54 11.059 -9.792 2.864 1.00 0.00 O ATOM 848 OE2 GLU A 54 11.325 -10.601 0.838 1.00 0.00 O ATOM 0 H GLU A 54 7.804 -11.555 4.342 1.00 0.00 H new ATOM 0 HA GLU A 54 9.151 -9.121 3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.254 -10.844 2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.189 -9.512 1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.417 -11.935 2.843 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.181 -11.800 1.112 1.00 0.00 H new ATOM 855 N ILE A 55 5.851 -9.045 3.870 1.00 0.00 N ATOM 856 CA ILE A 55 4.702 -8.153 3.963 1.00 0.00 C ATOM 857 C ILE A 55 4.756 -7.317 5.237 1.00 0.00 C ATOM 858 O ILE A 55 4.950 -6.102 5.187 1.00 0.00 O ATOM 859 CB ILE A 55 3.376 -8.937 3.933 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.260 -9.735 2.633 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.196 -7.989 4.087 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.106 -10.714 2.627 1.00 0.00 C ATOM 0 H ILE A 55 5.622 -10.037 3.936 1.00 0.00 H new ATOM 0 HA ILE A 55 4.745 -7.493 3.096 1.00 0.00 H new ATOM 0 HB ILE A 55 3.365 -9.637 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.143 -9.042 1.800 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.189 -10.280 2.466 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.267 -8.558 4.064 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.275 -7.461 5.038 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.200 -7.267 3.270 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.084 -11.245 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.232 -11.430 3.439 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.169 -10.173 2.762 1.00 0.00 H new ATOM 874 N ASP A 56 4.587 -7.976 6.378 1.00 0.00 N ATOM 875 CA ASP A 56 4.620 -7.294 7.667 1.00 0.00 C ATOM 876 C ASP A 56 5.679 -6.196 7.674 1.00 0.00 C ATOM 877 O ASP A 56 5.412 -5.065 8.079 1.00 0.00 O ATOM 878 CB ASP A 56 4.897 -8.295 8.790 1.00 0.00 C ATOM 879 CG ASP A 56 5.170 -7.614 10.117 1.00 0.00 C ATOM 880 OD1 ASP A 56 4.557 -6.558 10.380 1.00 0.00 O ATOM 881 OD2 ASP A 56 5.995 -8.139 10.893 1.00 0.00 O ATOM 0 H ASP A 56 4.426 -8.981 6.437 1.00 0.00 H new ATOM 0 HA ASP A 56 3.646 -6.834 7.833 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.042 -8.963 8.897 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.753 -8.913 8.519 1.00 0.00 H new ATOM 886 N ALA A 57 6.881 -6.538 7.223 1.00 0.00 N ATOM 887 CA ALA A 57 7.980 -5.582 7.177 1.00 0.00 C ATOM 888 C ALA A 57 7.615 -4.367 6.330 1.00 0.00 C ATOM 889 O ALA A 57 7.960 -3.235 6.671 1.00 0.00 O ATOM 890 CB ALA A 57 9.237 -6.247 6.635 1.00 0.00 C ATOM 0 H ALA A 57 7.118 -7.470 6.884 1.00 0.00 H new ATOM 0 HA ALA A 57 8.173 -5.239 8.194 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.049 -5.521 6.606 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.516 -7.079 7.282 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.047 -6.618 5.628 1.00 0.00 H new ATOM 896 N TRP A 58 6.916 -4.609 5.227 1.00 0.00 N ATOM 897 CA TRP A 58 6.505 -3.534 4.332 1.00 0.00 C ATOM 898 C TRP A 58 5.531 -2.589 5.026 1.00 0.00 C ATOM 899 O TRP A 58 5.859 -1.435 5.300 1.00 0.00 O ATOM 900 CB TRP A 58 5.863 -4.112 3.070 1.00 0.00 C ATOM 901 CG TRP A 58 5.654 -3.093 1.990 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.557 -2.710 1.039 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.468 -2.327 1.752 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.004 -1.752 0.225 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.723 -1.500 0.640 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.216 -2.261 2.368 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.771 -0.618 0.135 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.272 -1.385 1.866 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.553 -0.574 0.758 1.00 0.00 C ATOM 0 H TRP A 58 6.622 -5.540 4.931 1.00 0.00 H new ATOM 0 HA TRP A 58 7.393 -2.968 4.053 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.492 -4.915 2.686 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.903 -4.557 3.331 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.558 -3.103 0.942 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.472 -1.301 -0.561 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.990 -2.883 3.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 3.986 0.009 -0.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.301 -1.324 2.336 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.793 0.099 0.388 1.00 0.00 H new ATOM 920 N PHE A 59 4.332 -3.086 5.310 1.00 0.00 N ATOM 921 CA PHE A 59 3.309 -2.285 5.972 1.00 0.00 C ATOM 922 C PHE A 59 3.938 -1.320 6.973 1.00 0.00 C ATOM 923 O PHE A 59 3.578 -0.144 7.030 1.00 0.00 O ATOM 924 CB PHE A 59 2.303 -3.192 6.685 1.00 0.00 C ATOM 925 CG PHE A 59 1.161 -3.624 5.810 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.398 -4.279 4.612 1.00 0.00 C ATOM 927 CD2 PHE A 59 -0.149 -3.375 6.185 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.349 -4.676 3.805 1.00 0.00 C ATOM 929 CE2 PHE A 59 -1.202 -3.770 5.382 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.953 -4.423 4.191 1.00 0.00 C ATOM 0 H PHE A 59 4.045 -4.040 5.092 1.00 0.00 H new ATOM 0 HA PHE A 59 2.788 -1.704 5.211 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.822 -4.076 7.055 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.906 -2.668 7.555 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.414 -4.481 4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.350 -2.866 7.116 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.547 -5.184 2.873 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.219 -3.568 5.686 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.774 -4.735 3.563 1.00 0.00 H new ATOM 940 N THR A 60 4.881 -1.826 7.762 1.00 0.00 N ATOM 941 CA THR A 60 5.559 -1.011 8.762 1.00 0.00 C ATOM 942 C THR A 60 6.216 0.208 8.124 1.00 0.00 C ATOM 943 O THR A 60 5.813 1.343 8.375 1.00 0.00 O ATOM 944 CB THR A 60 6.631 -1.822 9.515 1.00 0.00 C ATOM 945 OG1 THR A 60 6.029 -2.952 10.156 1.00 0.00 O ATOM 946 CG2 THR A 60 7.333 -0.959 10.552 1.00 0.00 C ATOM 0 H THR A 60 5.192 -2.797 7.727 1.00 0.00 H new ATOM 0 HA THR A 60 4.798 -0.682 9.470 1.00 0.00 H new ATOM 0 HB THR A 60 7.370 -2.166 8.791 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.826 -3.638 9.486 1.00 0.00 H new ATOM 0 HG21 THR A 60 8.085 -1.553 11.071 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.814 -0.115 10.058 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.603 -0.589 11.272 1.00 0.00 H new ATOM 954 N GLU A 61 7.228 -0.035 7.298 1.00 0.00 N ATOM 955 CA GLU A 61 7.940 1.044 6.624 1.00 0.00 C ATOM 956 C GLU A 61 6.965 2.097 6.105 1.00 0.00 C ATOM 957 O GLU A 61 7.129 3.291 6.359 1.00 0.00 O ATOM 958 CB GLU A 61 8.774 0.491 5.467 1.00 0.00 C ATOM 959 CG GLU A 61 8.067 0.551 4.124 1.00 0.00 C ATOM 960 CD GLU A 61 8.969 0.151 2.972 1.00 0.00 C ATOM 961 OE1 GLU A 61 9.771 0.997 2.524 1.00 0.00 O ATOM 962 OE2 GLU A 61 8.872 -1.008 2.518 1.00 0.00 O ATOM 0 H GLU A 61 7.573 -0.969 7.079 1.00 0.00 H new ATOM 0 HA GLU A 61 8.605 1.514 7.348 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.707 1.051 5.402 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.038 -0.544 5.683 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.198 -0.106 4.145 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.697 1.563 3.957 1.00 0.00 H new ATOM 969 N LYS A 62 5.951 1.647 5.375 1.00 0.00 N ATOM 970 CA LYS A 62 4.948 2.548 4.819 1.00 0.00 C ATOM 971 C LYS A 62 4.518 3.587 5.850 1.00 0.00 C ATOM 972 O LYS A 62 4.260 4.742 5.513 1.00 0.00 O ATOM 973 CB LYS A 62 3.730 1.755 4.340 1.00 0.00 C ATOM 974 CG LYS A 62 3.003 2.403 3.173 1.00 0.00 C ATOM 975 CD LYS A 62 3.839 2.363 1.905 1.00 0.00 C ATOM 976 CE LYS A 62 2.981 2.566 0.666 1.00 0.00 C ATOM 977 NZ LYS A 62 2.692 4.007 0.421 1.00 0.00 N ATOM 0 H LYS A 62 5.801 0.663 5.154 1.00 0.00 H new ATOM 0 HA LYS A 62 5.393 3.067 3.970 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.050 0.755 4.048 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.034 1.637 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.057 1.890 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 62 2.765 3.437 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.606 3.136 1.949 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.356 1.406 1.838 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.490 2.145 -0.201 1.00 0.00 H new ATOM 0 HE3 LYS A 62 2.043 2.022 0.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.105 4.103 -0.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.184 4.403 1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.585 4.522 0.286 1.00 0.00 H new ATOM 991 N LYS A 63 4.445 3.169 7.109 1.00 0.00 N ATOM 992 CA LYS A 63 4.050 4.062 8.191 1.00 0.00 C ATOM 993 C LYS A 63 4.893 5.334 8.183 1.00 0.00 C ATOM 994 O LYS A 63 4.368 6.440 8.301 1.00 0.00 O ATOM 995 CB LYS A 63 4.189 3.355 9.541 1.00 0.00 C ATOM 996 CG LYS A 63 3.275 2.152 9.694 1.00 0.00 C ATOM 997 CD LYS A 63 3.619 1.344 10.935 1.00 0.00 C ATOM 998 CE LYS A 63 2.558 0.294 11.228 1.00 0.00 C ATOM 999 NZ LYS A 63 1.452 0.840 12.061 1.00 0.00 N ATOM 0 H LYS A 63 4.655 2.216 7.405 1.00 0.00 H new ATOM 0 HA LYS A 63 3.007 4.337 8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.223 3.034 9.669 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.975 4.067 10.338 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.239 2.486 9.752 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.356 1.517 8.811 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.585 0.858 10.798 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.717 2.013 11.790 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.153 -0.084 10.290 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.016 -0.551 11.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.673 0.152 12.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 1.800 1.021 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.110 1.729 11.644 1.00 0.00 H new