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 :FLIP amide:sc= -4.37! C(o=-5.4!,f=-4.4!) USER MOD Single : A 27 GLN : amide:sc=-0.00665 X(o=-0.0066,f=0) USER MOD Single : A 29 SER OG : rot -92:sc= -0.657 USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=-0.5) 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= -0.66 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 47 GLN : amide:sc= -0.0819 K(o=-0.082,f=-2!) USER MOD Single : A 48 THR OG1 : rot -51:sc= 0.654 USER MOD Single : A 49 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0452) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 60 THR OG1 : rot 77:sc= 0.812 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 7.500 -6.007 -6.759 1.00 0.00 N ATOM 259 CA THR A 19 7.031 -5.875 -8.133 1.00 0.00 C ATOM 260 C THR A 19 5.715 -5.108 -8.193 1.00 0.00 C ATOM 261 O THR A 19 4.881 -5.215 -7.294 1.00 0.00 O ATOM 262 CB THR A 19 6.840 -7.252 -8.796 1.00 0.00 C ATOM 263 OG1 THR A 19 6.535 -7.089 -10.185 1.00 0.00 O ATOM 264 CG2 THR A 19 5.724 -8.031 -8.115 1.00 0.00 C ATOM 0 HA THR A 19 7.797 -5.321 -8.677 1.00 0.00 H new ATOM 0 HB THR A 19 7.769 -7.812 -8.692 1.00 0.00 H new ATOM 0 HG1 THR A 19 6.417 -7.969 -10.599 1.00 0.00 H new ATOM 0 HG21 THR A 19 5.608 -9.000 -8.601 1.00 0.00 H new ATOM 0 HG22 THR A 19 5.973 -8.179 -7.064 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.791 -7.472 -8.192 1.00 0.00 H new ATOM 272 N ALA A 20 5.534 -4.334 -9.258 1.00 0.00 N ATOM 273 CA ALA A 20 4.317 -3.551 -9.436 1.00 0.00 C ATOM 274 C ALA A 20 3.106 -4.281 -8.865 1.00 0.00 C ATOM 275 O ALA A 20 2.502 -3.832 -7.892 1.00 0.00 O ATOM 276 CB ALA A 20 4.101 -3.239 -10.910 1.00 0.00 C ATOM 0 H ALA A 20 6.215 -4.232 -10.011 1.00 0.00 H new ATOM 0 HA ALA A 20 4.434 -2.614 -8.891 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.189 -2.654 -11.028 1.00 0.00 H new ATOM 0 HB2 ALA A 20 4.949 -2.669 -11.289 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.010 -4.170 -11.469 1.00 0.00 H new ATOM 282 N GLU A 21 2.757 -5.409 -9.478 1.00 0.00 N ATOM 283 CA GLU A 21 1.617 -6.199 -9.030 1.00 0.00 C ATOM 284 C GLU A 21 1.560 -6.257 -7.506 1.00 0.00 C ATOM 285 O GLU A 21 0.543 -5.920 -6.900 1.00 0.00 O ATOM 286 CB GLU A 21 1.694 -7.616 -9.602 1.00 0.00 C ATOM 287 CG GLU A 21 0.334 -8.249 -9.844 1.00 0.00 C ATOM 288 CD GLU A 21 -0.294 -7.802 -11.150 1.00 0.00 C ATOM 289 OE1 GLU A 21 -0.252 -6.590 -11.445 1.00 0.00 O ATOM 290 OE2 GLU A 21 -0.827 -8.667 -11.877 1.00 0.00 O ATOM 0 H GLU A 21 3.247 -5.795 -10.285 1.00 0.00 H new ATOM 0 HA GLU A 21 0.709 -5.717 -9.392 1.00 0.00 H new ATOM 0 HB2 GLU A 21 2.246 -7.590 -10.542 1.00 0.00 H new ATOM 0 HB3 GLU A 21 2.262 -8.245 -8.916 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.438 -9.334 -9.848 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.332 -7.996 -9.019 1.00 0.00 H new ATOM 297 N GLN A 22 2.658 -6.687 -6.895 1.00 0.00 N ATOM 298 CA GLN A 22 2.733 -6.791 -5.442 1.00 0.00 C ATOM 299 C GLN A 22 2.394 -5.458 -4.783 1.00 0.00 C ATOM 300 O GLN A 22 1.532 -5.388 -3.906 1.00 0.00 O ATOM 301 CB GLN A 22 4.129 -7.244 -5.013 1.00 0.00 C ATOM 302 CG GLN A 22 4.410 -8.709 -5.305 1.00 0.00 C ATOM 303 CD GLN A 22 5.804 -9.132 -4.885 1.00 0.00 C ATOM 304 OE1 GLN A 22 5.965 -10.412 -4.570 1.00 0.00 O flip ATOM 305 NE2 GLN A 22 6.726 -8.317 -4.843 1.00 0.00 N flip ATOM 0 H GLN A 22 3.508 -6.969 -7.383 1.00 0.00 H new ATOM 0 HA GLN A 22 2.003 -7.533 -5.118 1.00 0.00 H new ATOM 0 HB2 GLN A 22 4.873 -6.631 -5.522 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.247 -7.066 -3.944 1.00 0.00 H new ATOM 0 HG2 GLN A 22 3.676 -9.326 -4.787 1.00 0.00 H new ATOM 0 HG3 GLN A 22 4.285 -8.893 -6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 22 6.557 -7.343 -5.094 1.00 0.00 H new ATOM 0 HE22 GLN A 22 7.658 -8.616 -4.558 1.00 0.00 H new ATOM 314 N LEU A 23 3.076 -4.401 -5.211 1.00 0.00 N ATOM 315 CA LEU A 23 2.847 -3.069 -4.663 1.00 0.00 C ATOM 316 C LEU A 23 1.371 -2.693 -4.744 1.00 0.00 C ATOM 317 O LEU A 23 0.721 -2.467 -3.723 1.00 0.00 O ATOM 318 CB LEU A 23 3.691 -2.036 -5.412 1.00 0.00 C ATOM 319 CG LEU A 23 5.109 -1.817 -4.884 1.00 0.00 C ATOM 320 CD1 LEU A 23 5.730 -0.582 -5.517 1.00 0.00 C ATOM 321 CD2 LEU A 23 5.100 -1.695 -3.367 1.00 0.00 C ATOM 0 H LEU A 23 3.792 -4.441 -5.936 1.00 0.00 H new ATOM 0 HA LEU A 23 3.143 -3.079 -3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.757 -2.339 -6.457 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.165 -1.082 -5.389 1.00 0.00 H new ATOM 0 HG LEU A 23 5.715 -2.682 -5.155 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.739 -0.442 -5.129 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.772 -0.709 -6.599 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.125 0.293 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.118 -1.540 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.479 -0.849 -3.074 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.697 -2.609 -2.931 1.00 0.00 H new ATOM 333 N ARG A 24 0.848 -2.629 -5.964 1.00 0.00 N ATOM 334 CA ARG A 24 -0.551 -2.281 -6.179 1.00 0.00 C ATOM 335 C ARG A 24 -1.435 -2.889 -5.093 1.00 0.00 C ATOM 336 O ARG A 24 -2.254 -2.199 -4.486 1.00 0.00 O ATOM 337 CB ARG A 24 -1.013 -2.762 -7.556 1.00 0.00 C ATOM 338 CG ARG A 24 -2.518 -2.685 -7.754 1.00 0.00 C ATOM 339 CD ARG A 24 -2.898 -2.891 -9.212 1.00 0.00 C ATOM 340 NE ARG A 24 -4.304 -2.580 -9.460 1.00 0.00 N ATOM 341 CZ ARG A 24 -4.830 -2.476 -10.675 1.00 0.00 C ATOM 342 NH1 ARG A 24 -4.072 -2.657 -11.748 1.00 0.00 N ATOM 343 NH2 ARG A 24 -6.118 -2.190 -10.820 1.00 0.00 N ATOM 0 H ARG A 24 1.373 -2.814 -6.819 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.641 -1.196 -6.132 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -0.523 -2.164 -8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.688 -3.793 -7.699 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.006 -3.441 -7.139 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.882 -1.715 -7.415 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -2.271 -2.261 -9.843 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -2.700 -3.925 -9.496 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.915 -2.435 -8.656 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.082 -2.877 -11.642 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -4.479 -2.576 -12.680 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -6.705 -2.050 -9.998 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.521 -2.110 -11.754 1.00 0.00 H new ATOM 357 N VAL A 25 -1.263 -4.185 -4.855 1.00 0.00 N ATOM 358 CA VAL A 25 -2.044 -4.886 -3.842 1.00 0.00 C ATOM 359 C VAL A 25 -1.769 -4.327 -2.451 1.00 0.00 C ATOM 360 O VAL A 25 -2.639 -3.711 -1.834 1.00 0.00 O ATOM 361 CB VAL A 25 -1.741 -6.396 -3.846 1.00 0.00 C ATOM 362 CG1 VAL A 25 -2.498 -7.096 -2.727 1.00 0.00 C ATOM 363 CG2 VAL A 25 -2.086 -7.005 -5.197 1.00 0.00 C ATOM 0 H VAL A 25 -0.590 -4.771 -5.349 1.00 0.00 H new ATOM 0 HA VAL A 25 -3.094 -4.733 -4.090 1.00 0.00 H new ATOM 0 HB VAL A 25 -0.674 -6.535 -3.672 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.271 -8.162 -2.746 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -2.196 -6.678 -1.767 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.569 -6.950 -2.866 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.866 -8.072 -5.182 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.146 -6.856 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.494 -6.523 -5.975 1.00 0.00 H new ATOM 373 N LEU A 26 -0.553 -4.545 -1.962 1.00 0.00 N ATOM 374 CA LEU A 26 -0.161 -4.062 -0.642 1.00 0.00 C ATOM 375 C LEU A 26 -0.633 -2.628 -0.425 1.00 0.00 C ATOM 376 O LEU A 26 -1.390 -2.348 0.503 1.00 0.00 O ATOM 377 CB LEU A 26 1.358 -4.143 -0.478 1.00 0.00 C ATOM 378 CG LEU A 26 1.974 -5.536 -0.607 1.00 0.00 C ATOM 379 CD1 LEU A 26 3.407 -5.441 -1.107 1.00 0.00 C ATOM 380 CD2 LEU A 26 1.919 -6.269 0.726 1.00 0.00 C ATOM 0 H LEU A 26 0.178 -5.053 -2.459 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.635 -4.697 0.106 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.819 -3.494 -1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.619 -3.741 0.501 1.00 0.00 H new ATOM 0 HG LEU A 26 1.394 -6.103 -1.335 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.830 -6.442 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.420 -4.957 -2.083 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.000 -4.856 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.362 -7.259 0.615 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.475 -5.704 1.475 1.00 0.00 H new ATOM 0 HD23 LEU A 26 0.881 -6.369 1.044 1.00 0.00 H new ATOM 392 N GLN A 27 -0.181 -1.725 -1.289 1.00 0.00 N ATOM 393 CA GLN A 27 -0.558 -0.320 -1.192 1.00 0.00 C ATOM 394 C GLN A 27 -2.067 -0.172 -1.024 1.00 0.00 C ATOM 395 O GLN A 27 -2.538 0.729 -0.331 1.00 0.00 O ATOM 396 CB GLN A 27 -0.094 0.442 -2.435 1.00 0.00 C ATOM 397 CG GLN A 27 0.236 1.901 -2.166 1.00 0.00 C ATOM 398 CD GLN A 27 0.049 2.777 -3.389 1.00 0.00 C ATOM 399 OE1 GLN A 27 1.018 3.271 -3.966 1.00 0.00 O ATOM 400 NE2 GLN A 27 -1.201 2.973 -3.792 1.00 0.00 N ATOM 0 H GLN A 27 0.446 -1.941 -2.064 1.00 0.00 H new ATOM 0 HA GLN A 27 -0.070 0.101 -0.313 1.00 0.00 H new ATOM 0 HB2 GLN A 27 0.787 -0.051 -2.846 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -0.873 0.389 -3.196 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.397 2.270 -1.359 1.00 0.00 H new ATOM 0 HG3 GLN A 27 1.267 1.979 -1.822 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.974 2.544 -3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -1.388 3.553 -4.610 1.00 0.00 H new ATOM 409 N ALA A 28 -2.818 -1.061 -1.664 1.00 0.00 N ATOM 410 CA ALA A 28 -4.273 -1.030 -1.585 1.00 0.00 C ATOM 411 C ALA A 28 -4.757 -1.463 -0.205 1.00 0.00 C ATOM 412 O ALA A 28 -5.757 -0.953 0.301 1.00 0.00 O ATOM 413 CB ALA A 28 -4.880 -1.919 -2.661 1.00 0.00 C ATOM 0 H ALA A 28 -2.443 -1.812 -2.243 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.599 -0.003 -1.751 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -5.967 -1.886 -2.590 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.570 -1.564 -3.644 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -4.538 -2.945 -2.521 1.00 0.00 H new ATOM 419 N SER A 29 -4.042 -2.406 0.399 1.00 0.00 N ATOM 420 CA SER A 29 -4.401 -2.910 1.719 1.00 0.00 C ATOM 421 C SER A 29 -3.912 -1.966 2.813 1.00 0.00 C ATOM 422 O SER A 29 -4.704 -1.448 3.602 1.00 0.00 O ATOM 423 CB SER A 29 -3.811 -4.306 1.934 1.00 0.00 C ATOM 424 OG SER A 29 -4.637 -5.303 1.358 1.00 0.00 O ATOM 0 H SER A 29 -3.210 -2.837 -0.005 1.00 0.00 H new ATOM 0 HA SER A 29 -5.488 -2.970 1.774 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.815 -4.355 1.493 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.697 -4.496 3.001 1.00 0.00 H new ATOM 0 HG SER A 29 -5.272 -5.630 2.029 1.00 0.00 H new ATOM 430 N PHE A 30 -2.603 -1.746 2.855 1.00 0.00 N ATOM 431 CA PHE A 30 -2.006 -0.864 3.852 1.00 0.00 C ATOM 432 C PHE A 30 -2.787 0.443 3.958 1.00 0.00 C ATOM 433 O PHE A 30 -3.091 0.910 5.056 1.00 0.00 O ATOM 434 CB PHE A 30 -0.547 -0.573 3.498 1.00 0.00 C ATOM 435 CG PHE A 30 0.019 0.617 4.220 1.00 0.00 C ATOM 436 CD1 PHE A 30 -0.160 1.897 3.719 1.00 0.00 C ATOM 437 CD2 PHE A 30 0.729 0.456 5.398 1.00 0.00 C ATOM 438 CE1 PHE A 30 0.359 2.994 4.381 1.00 0.00 C ATOM 439 CE2 PHE A 30 1.250 1.549 6.064 1.00 0.00 C ATOM 440 CZ PHE A 30 1.066 2.820 5.554 1.00 0.00 C ATOM 0 H PHE A 30 -1.934 -2.166 2.210 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.044 -1.369 4.817 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.057 -1.450 3.731 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.468 -0.407 2.424 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -0.711 2.039 2.801 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.877 -0.535 5.801 1.00 0.00 H new ATOM 0 HE1 PHE A 30 0.212 3.986 3.981 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.801 1.410 6.983 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.474 3.675 6.072 1.00 0.00 H new ATOM 450 N LEU A 31 -3.107 1.029 2.809 1.00 0.00 N ATOM 451 CA LEU A 31 -3.851 2.283 2.771 1.00 0.00 C ATOM 452 C LEU A 31 -5.135 2.179 3.588 1.00 0.00 C ATOM 453 O LEU A 31 -5.354 2.951 4.520 1.00 0.00 O ATOM 454 CB LEU A 31 -4.181 2.659 1.326 1.00 0.00 C ATOM 455 CG LEU A 31 -3.108 3.449 0.576 1.00 0.00 C ATOM 456 CD1 LEU A 31 -3.416 3.487 -0.913 1.00 0.00 C ATOM 457 CD2 LEU A 31 -2.995 4.860 1.136 1.00 0.00 C ATOM 0 H LEU A 31 -2.863 0.656 1.892 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.226 3.062 3.209 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.384 1.743 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.101 3.243 1.325 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.151 2.947 0.715 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.642 4.053 -1.430 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.445 2.470 -1.305 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.383 3.965 -1.073 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.227 5.408 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.951 5.372 1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.726 4.812 2.191 1.00 0.00 H new ATOM 469 N ASN A 32 -5.980 1.216 3.232 1.00 0.00 N ATOM 470 CA ASN A 32 -7.242 1.010 3.933 1.00 0.00 C ATOM 471 C ASN A 32 -7.026 0.969 5.443 1.00 0.00 C ATOM 472 O ASN A 32 -7.801 1.544 6.207 1.00 0.00 O ATOM 473 CB ASN A 32 -7.903 -0.289 3.466 1.00 0.00 C ATOM 474 CG ASN A 32 -9.413 -0.252 3.602 1.00 0.00 C ATOM 475 OD1 ASN A 32 -9.953 0.457 4.452 1.00 0.00 O ATOM 476 ND2 ASN A 32 -10.101 -1.017 2.764 1.00 0.00 N ATOM 0 H ASN A 32 -5.813 0.567 2.463 1.00 0.00 H new ATOM 0 HA ASN A 32 -7.899 1.848 3.700 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -7.639 -0.473 2.425 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -7.509 -1.123 4.047 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -11.120 -1.034 2.808 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -9.611 -1.588 2.076 1.00 0.00 H new ATOM 483 N SER A 33 -5.967 0.285 5.865 1.00 0.00 N ATOM 484 CA SER A 33 -5.650 0.166 7.283 1.00 0.00 C ATOM 485 C SER A 33 -4.142 0.075 7.497 1.00 0.00 C ATOM 486 O SER A 33 -3.516 -0.931 7.162 1.00 0.00 O ATOM 487 CB SER A 33 -6.336 -1.064 7.879 1.00 0.00 C ATOM 488 OG SER A 33 -6.569 -0.895 9.267 1.00 0.00 O ATOM 0 H SER A 33 -5.314 -0.195 5.245 1.00 0.00 H new ATOM 0 HA SER A 33 -6.018 1.059 7.788 1.00 0.00 H new ATOM 0 HB2 SER A 33 -7.282 -1.241 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 33 -5.716 -1.945 7.716 1.00 0.00 H new ATOM 0 HG SER A 33 -7.010 -1.694 9.624 1.00 0.00 H new ATOM 494 N SER A 34 -3.564 1.133 8.056 1.00 0.00 N ATOM 495 CA SER A 34 -2.129 1.175 8.312 1.00 0.00 C ATOM 496 C SER A 34 -1.662 -0.105 8.999 1.00 0.00 C ATOM 497 O SER A 34 -0.621 -0.664 8.654 1.00 0.00 O ATOM 498 CB SER A 34 -1.779 2.388 9.176 1.00 0.00 C ATOM 499 OG SER A 34 -2.600 2.447 10.329 1.00 0.00 O ATOM 0 H SER A 34 -4.068 1.973 8.341 1.00 0.00 H new ATOM 0 HA SER A 34 -1.616 1.260 7.354 1.00 0.00 H new ATOM 0 HB2 SER A 34 -0.732 2.336 9.474 1.00 0.00 H new ATOM 0 HB3 SER A 34 -1.900 3.301 8.593 1.00 0.00 H new ATOM 0 HG SER A 34 -2.355 3.230 10.865 1.00 0.00 H new ATOM 505 N VAL A 35 -2.441 -0.564 9.974 1.00 0.00 N ATOM 506 CA VAL A 35 -2.109 -1.778 10.710 1.00 0.00 C ATOM 507 C VAL A 35 -2.517 -3.022 9.929 1.00 0.00 C ATOM 508 O VAL A 35 -3.571 -3.052 9.293 1.00 0.00 O ATOM 509 CB VAL A 35 -2.793 -1.803 12.089 1.00 0.00 C ATOM 510 CG1 VAL A 35 -4.304 -1.893 11.934 1.00 0.00 C ATOM 511 CG2 VAL A 35 -2.265 -2.959 12.925 1.00 0.00 C ATOM 0 H VAL A 35 -3.306 -0.113 10.272 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.028 -1.778 10.850 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.559 -0.873 12.608 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.770 -1.910 12.919 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.665 -1.029 11.376 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.561 -2.805 11.396 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.760 -2.961 13.896 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.466 -3.900 12.413 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.190 -2.845 13.065 1.00 0.00 H new ATOM 521 N LEU A 36 -1.676 -4.050 9.983 1.00 0.00 N ATOM 522 CA LEU A 36 -1.949 -5.299 9.281 1.00 0.00 C ATOM 523 C LEU A 36 -2.550 -6.334 10.227 1.00 0.00 C ATOM 524 O LEU A 36 -1.931 -6.719 11.220 1.00 0.00 O ATOM 525 CB LEU A 36 -0.665 -5.847 8.656 1.00 0.00 C ATOM 526 CG LEU A 36 -0.840 -6.991 7.657 1.00 0.00 C ATOM 527 CD1 LEU A 36 -1.361 -6.464 6.329 1.00 0.00 C ATOM 528 CD2 LEU A 36 0.474 -7.733 7.460 1.00 0.00 C ATOM 0 H LEU A 36 -0.800 -4.043 10.505 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.671 -5.093 8.491 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.151 -5.028 8.153 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.011 -6.189 9.458 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.572 -7.691 8.060 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -1.479 -7.292 5.630 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.325 -5.979 6.483 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.653 -5.743 5.921 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.330 -8.544 6.746 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.228 -7.044 7.080 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.806 -8.144 8.413 1.00 0.00 H new ATOM 540 N THR A 37 -3.760 -6.785 9.911 1.00 0.00 N ATOM 541 CA THR A 37 -4.445 -7.776 10.731 1.00 0.00 C ATOM 542 C THR A 37 -4.030 -9.191 10.343 1.00 0.00 C ATOM 543 O THR A 37 -4.021 -9.545 9.164 1.00 0.00 O ATOM 544 CB THR A 37 -5.975 -7.649 10.606 1.00 0.00 C ATOM 545 OG1 THR A 37 -6.376 -7.882 9.251 1.00 0.00 O ATOM 546 CG2 THR A 37 -6.441 -6.271 11.049 1.00 0.00 C ATOM 0 H THR A 37 -4.286 -6.479 9.092 1.00 0.00 H new ATOM 0 HA THR A 37 -4.156 -7.586 11.765 1.00 0.00 H new ATOM 0 HB THR A 37 -6.434 -8.396 11.254 1.00 0.00 H new ATOM 0 HG1 THR A 37 -7.350 -7.801 9.180 1.00 0.00 H new ATOM 0 HG21 THR A 37 -7.525 -6.205 10.952 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.159 -6.109 12.089 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.974 -5.510 10.424 1.00 0.00 H new ATOM 554 N ASP A 38 -3.688 -9.997 11.343 1.00 0.00 N ATOM 555 CA ASP A 38 -3.274 -11.375 11.106 1.00 0.00 C ATOM 556 C ASP A 38 -4.038 -11.978 9.931 1.00 0.00 C ATOM 557 O ASP A 38 -3.446 -12.593 9.044 1.00 0.00 O ATOM 558 CB ASP A 38 -3.496 -12.219 12.362 1.00 0.00 C ATOM 559 CG ASP A 38 -2.638 -11.763 13.525 1.00 0.00 C ATOM 560 OD1 ASP A 38 -3.047 -10.816 14.229 1.00 0.00 O ATOM 561 OD2 ASP A 38 -1.556 -12.353 13.732 1.00 0.00 O ATOM 0 H ASP A 38 -3.689 -9.720 12.325 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.212 -11.373 10.862 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -4.547 -12.170 12.648 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -3.275 -13.263 12.139 1.00 0.00 H new ATOM 566 N GLU A 39 -5.355 -11.798 9.933 1.00 0.00 N ATOM 567 CA GLU A 39 -6.199 -12.326 8.868 1.00 0.00 C ATOM 568 C GLU A 39 -5.789 -11.754 7.514 1.00 0.00 C ATOM 569 O GLU A 39 -5.505 -12.498 6.576 1.00 0.00 O ATOM 570 CB GLU A 39 -7.669 -12.005 9.145 1.00 0.00 C ATOM 571 CG GLU A 39 -7.966 -10.516 9.205 1.00 0.00 C ATOM 572 CD GLU A 39 -9.273 -10.210 9.911 1.00 0.00 C ATOM 573 OE1 GLU A 39 -9.720 -11.050 10.720 1.00 0.00 O ATOM 574 OE2 GLU A 39 -9.847 -9.131 9.655 1.00 0.00 O ATOM 0 H GLU A 39 -5.860 -11.291 10.660 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.070 -13.408 8.840 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -8.284 -12.459 8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -7.960 -12.463 10.090 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -7.151 -10.007 9.720 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -8.002 -10.115 8.192 1.00 0.00 H new ATOM 581 N GLU A 40 -5.761 -10.428 7.423 1.00 0.00 N ATOM 582 CA GLU A 40 -5.387 -9.757 6.184 1.00 0.00 C ATOM 583 C GLU A 40 -4.028 -10.244 5.689 1.00 0.00 C ATOM 584 O GLU A 40 -3.881 -10.641 4.532 1.00 0.00 O ATOM 585 CB GLU A 40 -5.353 -8.241 6.389 1.00 0.00 C ATOM 586 CG GLU A 40 -5.075 -7.460 5.116 1.00 0.00 C ATOM 587 CD GLU A 40 -6.341 -7.112 4.356 1.00 0.00 C ATOM 588 OE1 GLU A 40 -7.145 -8.031 4.093 1.00 0.00 O ATOM 589 OE2 GLU A 40 -6.527 -5.923 4.025 1.00 0.00 O ATOM 0 H GLU A 40 -5.992 -9.798 8.191 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.137 -9.998 5.430 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.308 -7.917 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.588 -8.000 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -4.542 -6.543 5.366 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.418 -8.045 4.472 1.00 0.00 H new ATOM 596 N LEU A 41 -3.037 -10.211 6.573 1.00 0.00 N ATOM 597 CA LEU A 41 -1.689 -10.648 6.228 1.00 0.00 C ATOM 598 C LEU A 41 -1.730 -11.836 5.272 1.00 0.00 C ATOM 599 O LEU A 41 -1.078 -11.829 4.229 1.00 0.00 O ATOM 600 CB LEU A 41 -0.913 -11.023 7.492 1.00 0.00 C ATOM 601 CG LEU A 41 0.600 -11.171 7.333 1.00 0.00 C ATOM 602 CD1 LEU A 41 1.289 -11.106 8.687 1.00 0.00 C ATOM 603 CD2 LEU A 41 0.936 -12.474 6.622 1.00 0.00 C ATOM 0 H LEU A 41 -3.142 -9.886 7.534 1.00 0.00 H new ATOM 0 HA LEU A 41 -1.182 -9.821 5.730 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.106 -10.264 8.251 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.312 -11.963 7.873 1.00 0.00 H new ATOM 0 HG LEU A 41 0.965 -10.344 6.724 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.365 -11.213 8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.076 -10.146 9.158 1.00 0.00 H new ATOM 0 HD13 LEU A 41 0.920 -11.912 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.017 -12.563 6.517 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.557 -13.314 7.204 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.474 -12.479 5.635 1.00 0.00 H new ATOM 615 N ASN A 42 -2.502 -12.855 5.636 1.00 0.00 N ATOM 616 CA ASN A 42 -2.630 -14.050 4.809 1.00 0.00 C ATOM 617 C ASN A 42 -3.113 -13.693 3.407 1.00 0.00 C ATOM 618 O ASN A 42 -2.504 -14.083 2.411 1.00 0.00 O ATOM 619 CB ASN A 42 -3.598 -15.042 5.457 1.00 0.00 C ATOM 620 CG ASN A 42 -2.895 -16.014 6.385 1.00 0.00 C ATOM 621 OD1 ASN A 42 -2.063 -16.811 5.952 1.00 0.00 O ATOM 622 ND2 ASN A 42 -3.227 -15.951 7.669 1.00 0.00 N ATOM 0 H ASN A 42 -3.048 -12.877 6.497 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.646 -14.512 4.728 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -4.356 -14.493 6.016 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -4.118 -15.599 4.678 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -2.787 -16.579 8.341 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -3.922 -15.274 7.983 1.00 0.00 H new ATOM 629 N ARG A 43 -4.212 -12.948 3.338 1.00 0.00 N ATOM 630 CA ARG A 43 -4.777 -12.538 2.058 1.00 0.00 C ATOM 631 C ARG A 43 -3.688 -12.025 1.121 1.00 0.00 C ATOM 632 O ARG A 43 -3.635 -12.399 -0.051 1.00 0.00 O ATOM 633 CB ARG A 43 -5.837 -11.455 2.268 1.00 0.00 C ATOM 634 CG ARG A 43 -7.192 -12.001 2.687 1.00 0.00 C ATOM 635 CD ARG A 43 -7.830 -12.820 1.575 1.00 0.00 C ATOM 636 NE ARG A 43 -7.980 -12.049 0.344 1.00 0.00 N ATOM 637 CZ ARG A 43 -8.547 -12.527 -0.758 1.00 0.00 C ATOM 638 NH1 ARG A 43 -9.016 -13.767 -0.782 1.00 0.00 N ATOM 639 NH2 ARG A 43 -8.646 -11.764 -1.839 1.00 0.00 N ATOM 0 H ARG A 43 -4.728 -12.616 4.153 1.00 0.00 H new ATOM 0 HA ARG A 43 -5.244 -13.410 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -5.485 -10.757 3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.953 -10.888 1.344 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.077 -12.620 3.577 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.851 -11.175 2.956 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.220 -13.702 1.378 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.807 -13.175 1.902 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.630 -11.091 0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -8.942 -14.356 0.047 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -9.451 -14.131 -1.630 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.287 -10.810 -1.824 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -9.082 -12.132 -2.685 1.00 0.00 H new ATOM 653 N LEU A 44 -2.821 -11.166 1.646 1.00 0.00 N ATOM 654 CA LEU A 44 -1.732 -10.600 0.857 1.00 0.00 C ATOM 655 C LEU A 44 -0.665 -11.651 0.568 1.00 0.00 C ATOM 656 O LEU A 44 -0.092 -11.686 -0.521 1.00 0.00 O ATOM 657 CB LEU A 44 -1.108 -9.412 1.591 1.00 0.00 C ATOM 658 CG LEU A 44 -2.032 -8.220 1.847 1.00 0.00 C ATOM 659 CD1 LEU A 44 -1.575 -7.444 3.072 1.00 0.00 C ATOM 660 CD2 LEU A 44 -2.081 -7.313 0.626 1.00 0.00 C ATOM 0 H LEU A 44 -2.851 -10.846 2.614 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.144 -10.257 -0.092 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.726 -9.763 2.550 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -0.251 -9.064 1.015 1.00 0.00 H new ATOM 0 HG LEU A 44 -3.037 -8.597 2.036 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.244 -6.600 3.238 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.592 -8.098 3.944 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.561 -7.077 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.743 -6.470 0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.079 -6.944 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.456 -7.875 -0.230 1.00 0.00 H new ATOM 672 N ARG A 45 -0.405 -12.508 1.550 1.00 0.00 N ATOM 673 CA ARG A 45 0.592 -13.561 1.401 1.00 0.00 C ATOM 674 C ARG A 45 0.336 -14.378 0.138 1.00 0.00 C ATOM 675 O ARG A 45 1.248 -14.998 -0.408 1.00 0.00 O ATOM 676 CB ARG A 45 0.582 -14.479 2.625 1.00 0.00 C ATOM 677 CG ARG A 45 1.935 -15.100 2.932 1.00 0.00 C ATOM 678 CD ARG A 45 1.926 -15.824 4.269 1.00 0.00 C ATOM 679 NE ARG A 45 1.337 -17.157 4.165 1.00 0.00 N ATOM 680 CZ ARG A 45 1.999 -18.220 3.723 1.00 0.00 C ATOM 681 NH1 ARG A 45 3.265 -18.108 3.348 1.00 0.00 N ATOM 682 NH2 ARG A 45 1.394 -19.400 3.658 1.00 0.00 N ATOM 0 H ARG A 45 -0.871 -12.494 2.457 1.00 0.00 H new ATOM 0 HA ARG A 45 1.571 -13.090 1.316 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.248 -13.910 3.493 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -0.146 -15.275 2.466 1.00 0.00 H new ATOM 0 HG2 ARG A 45 2.203 -15.799 2.140 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.699 -14.323 2.943 1.00 0.00 H new ATOM 0 HD2 ARG A 45 2.946 -15.907 4.644 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.366 -15.236 4.996 1.00 0.00 H new ATOM 0 HE ARG A 45 0.364 -17.278 4.447 1.00 0.00 H new ATOM 0 HH11 ARG A 45 3.734 -17.203 3.398 1.00 0.00 H new ATOM 0 HH12 ARG A 45 3.771 -18.926 3.009 1.00 0.00 H new ATOM 0 HH21 ARG A 45 0.420 -19.490 3.948 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.903 -20.216 3.318 1.00 0.00 H new ATOM 696 N ALA A 46 -0.912 -14.372 -0.321 1.00 0.00 N ATOM 697 CA ALA A 46 -1.287 -15.111 -1.520 1.00 0.00 C ATOM 698 C ALA A 46 -1.297 -14.202 -2.744 1.00 0.00 C ATOM 699 O ALA A 46 -0.816 -14.580 -3.812 1.00 0.00 O ATOM 700 CB ALA A 46 -2.650 -15.762 -1.334 1.00 0.00 C ATOM 0 H ALA A 46 -1.679 -13.864 0.119 1.00 0.00 H new ATOM 0 HA ALA A 46 -0.543 -15.890 -1.684 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.918 -16.311 -2.237 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.612 -16.450 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.398 -14.992 -1.142 1.00 0.00 H new ATOM 706 N GLN A 47 -1.847 -13.003 -2.581 1.00 0.00 N ATOM 707 CA GLN A 47 -1.920 -12.041 -3.675 1.00 0.00 C ATOM 708 C GLN A 47 -0.527 -11.575 -4.083 1.00 0.00 C ATOM 709 O GLN A 47 -0.128 -11.711 -5.240 1.00 0.00 O ATOM 710 CB GLN A 47 -2.775 -10.839 -3.269 1.00 0.00 C ATOM 711 CG GLN A 47 -4.195 -11.209 -2.873 1.00 0.00 C ATOM 712 CD GLN A 47 -5.092 -11.445 -4.072 1.00 0.00 C ATOM 713 OE1 GLN A 47 -4.820 -12.311 -4.905 1.00 0.00 O ATOM 714 NE2 GLN A 47 -6.170 -10.676 -4.166 1.00 0.00 N ATOM 0 H GLN A 47 -2.248 -12.675 -1.703 1.00 0.00 H new ATOM 0 HA GLN A 47 -2.383 -12.535 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.295 -10.328 -2.434 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -2.810 -10.132 -4.098 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -4.174 -12.108 -2.257 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.616 -10.412 -2.260 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -6.357 -9.971 -3.453 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -6.811 -10.790 -4.951 1.00 0.00 H new ATOM 723 N THR A 48 0.212 -11.023 -3.125 1.00 0.00 N ATOM 724 CA THR A 48 1.560 -10.534 -3.385 1.00 0.00 C ATOM 725 C THR A 48 2.567 -11.679 -3.394 1.00 0.00 C ATOM 726 O THR A 48 3.756 -11.472 -3.638 1.00 0.00 O ATOM 727 CB THR A 48 1.993 -9.494 -2.334 1.00 0.00 C ATOM 728 OG1 THR A 48 2.253 -10.140 -1.083 1.00 0.00 O ATOM 729 CG2 THR A 48 0.919 -8.433 -2.150 1.00 0.00 C ATOM 0 H THR A 48 -0.101 -10.904 -2.162 1.00 0.00 H new ATOM 0 HA THR A 48 1.541 -10.061 -4.367 1.00 0.00 H new ATOM 0 HB THR A 48 2.903 -9.010 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.487 -10.701 -0.839 1.00 0.00 H new ATOM 0 HG21 THR A 48 1.246 -7.709 -1.403 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.745 -7.923 -3.098 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.005 -8.905 -1.817 1.00 0.00 H new ATOM 737 N LYS A 49 2.084 -12.888 -3.129 1.00 0.00 N ATOM 738 CA LYS A 49 2.941 -14.067 -3.109 1.00 0.00 C ATOM 739 C LYS A 49 4.205 -13.808 -2.296 1.00 0.00 C ATOM 740 O LYS A 49 5.258 -14.388 -2.564 1.00 0.00 O ATOM 741 CB LYS A 49 3.314 -14.476 -4.536 1.00 0.00 C ATOM 742 CG LYS A 49 2.113 -14.731 -5.429 1.00 0.00 C ATOM 743 CD LYS A 49 1.589 -16.148 -5.269 1.00 0.00 C ATOM 744 CE LYS A 49 0.635 -16.521 -6.394 1.00 0.00 C ATOM 745 NZ LYS A 49 1.359 -16.794 -7.667 1.00 0.00 N ATOM 0 H LYS A 49 1.103 -13.077 -2.925 1.00 0.00 H new ATOM 0 HA LYS A 49 2.388 -14.879 -2.638 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.927 -13.692 -4.981 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.926 -15.377 -4.498 1.00 0.00 H new ATOM 0 HG2 LYS A 49 1.322 -14.021 -5.188 1.00 0.00 H new ATOM 0 HG3 LYS A 49 2.389 -14.560 -6.469 1.00 0.00 H new ATOM 0 HD2 LYS A 49 2.426 -16.847 -5.254 1.00 0.00 H new ATOM 0 HD3 LYS A 49 1.078 -16.242 -4.311 1.00 0.00 H new ATOM 0 HE2 LYS A 49 0.061 -17.402 -6.106 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -0.079 -15.712 -6.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 0.705 -17.221 -8.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 1.732 -15.903 -8.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 2.146 -17.449 -7.485 1.00 0.00 H new ATOM 759 N LEU A 50 4.095 -12.933 -1.302 1.00 0.00 N ATOM 760 CA LEU A 50 5.229 -12.598 -0.448 1.00 0.00 C ATOM 761 C LEU A 50 5.115 -13.289 0.906 1.00 0.00 C ATOM 762 O LEU A 50 4.023 -13.669 1.332 1.00 0.00 O ATOM 763 CB LEU A 50 5.316 -11.083 -0.255 1.00 0.00 C ATOM 764 CG LEU A 50 5.799 -10.278 -1.462 1.00 0.00 C ATOM 765 CD1 LEU A 50 5.972 -8.813 -1.093 1.00 0.00 C ATOM 766 CD2 LEU A 50 7.102 -10.853 -1.999 1.00 0.00 C ATOM 0 H LEU A 50 3.232 -12.443 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 50 6.137 -12.949 -0.938 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.330 -10.716 0.030 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.985 -10.882 0.582 1.00 0.00 H new ATOM 0 HG LEU A 50 5.044 -10.346 -2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.316 -8.256 -1.965 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.018 -8.407 -0.757 1.00 0.00 H new ATOM 0 HD13 LEU A 50 6.706 -8.724 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 50 7.431 -10.268 -2.858 1.00 0.00 H new ATOM 0 HD22 LEU A 50 7.864 -10.816 -1.221 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.945 -11.888 -2.304 1.00 0.00 H new ATOM 778 N THR A 51 6.249 -13.448 1.582 1.00 0.00 N ATOM 779 CA THR A 51 6.276 -14.093 2.888 1.00 0.00 C ATOM 780 C THR A 51 5.821 -13.135 3.984 1.00 0.00 C ATOM 781 O THR A 51 6.163 -11.952 3.968 1.00 0.00 O ATOM 782 CB THR A 51 7.686 -14.612 3.229 1.00 0.00 C ATOM 783 OG1 THR A 51 7.784 -14.878 4.633 1.00 0.00 O ATOM 784 CG2 THR A 51 8.747 -13.600 2.825 1.00 0.00 C ATOM 0 H THR A 51 7.161 -13.138 1.246 1.00 0.00 H new ATOM 0 HA THR A 51 5.588 -14.937 2.838 1.00 0.00 H new ATOM 0 HB THR A 51 7.854 -15.534 2.672 1.00 0.00 H new ATOM 0 HG1 THR A 51 8.683 -15.209 4.841 1.00 0.00 H new ATOM 0 HG21 THR A 51 9.734 -13.988 3.075 1.00 0.00 H new ATOM 0 HG22 THR A 51 8.689 -13.421 1.751 1.00 0.00 H new ATOM 0 HG23 THR A 51 8.579 -12.664 3.358 1.00 0.00 H new ATOM 792 N ARG A 52 5.049 -13.653 4.933 1.00 0.00 N ATOM 793 CA ARG A 52 4.547 -12.843 6.036 1.00 0.00 C ATOM 794 C ARG A 52 5.603 -11.845 6.502 1.00 0.00 C ATOM 795 O ARG A 52 5.275 -10.773 7.013 1.00 0.00 O ATOM 796 CB ARG A 52 4.124 -13.737 7.203 1.00 0.00 C ATOM 797 CG ARG A 52 5.293 -14.381 7.931 1.00 0.00 C ATOM 798 CD ARG A 52 5.789 -13.506 9.071 1.00 0.00 C ATOM 799 NE ARG A 52 6.728 -14.215 9.937 1.00 0.00 N ATOM 800 CZ ARG A 52 7.477 -13.616 10.855 1.00 0.00 C ATOM 801 NH1 ARG A 52 7.397 -12.304 11.028 1.00 0.00 N ATOM 802 NH2 ARG A 52 8.308 -14.330 11.605 1.00 0.00 N ATOM 0 H ARG A 52 4.757 -14.630 4.960 1.00 0.00 H new ATOM 0 HA ARG A 52 3.679 -12.288 5.680 1.00 0.00 H new ATOM 0 HB2 ARG A 52 3.547 -13.145 7.913 1.00 0.00 H new ATOM 0 HB3 ARG A 52 3.464 -14.520 6.829 1.00 0.00 H new ATOM 0 HG2 ARG A 52 4.989 -15.352 8.322 1.00 0.00 H new ATOM 0 HG3 ARG A 52 6.107 -14.561 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 52 6.272 -12.618 8.663 1.00 0.00 H new ATOM 0 HD3 ARG A 52 4.939 -13.164 9.661 1.00 0.00 H new ATOM 0 HE ARG A 52 6.813 -15.226 9.830 1.00 0.00 H new ATOM 0 HH11 ARG A 52 6.759 -11.752 10.455 1.00 0.00 H new ATOM 0 HH12 ARG A 52 7.974 -11.847 11.734 1.00 0.00 H new ATOM 0 HH21 ARG A 52 8.371 -15.340 11.476 1.00 0.00 H new ATOM 0 HH22 ARG A 52 8.883 -13.869 12.310 1.00 0.00 H new ATOM 816 N ARG A 53 6.869 -12.205 6.324 1.00 0.00 N ATOM 817 CA ARG A 53 7.973 -11.342 6.728 1.00 0.00 C ATOM 818 C ARG A 53 8.060 -10.113 5.828 1.00 0.00 C ATOM 819 O ARG A 53 8.128 -8.983 6.310 1.00 0.00 O ATOM 820 CB ARG A 53 9.293 -12.113 6.684 1.00 0.00 C ATOM 821 CG ARG A 53 9.631 -12.817 7.988 1.00 0.00 C ATOM 822 CD ARG A 53 10.553 -14.005 7.758 1.00 0.00 C ATOM 823 NE ARG A 53 10.806 -14.748 8.990 1.00 0.00 N ATOM 824 CZ ARG A 53 11.722 -14.395 9.885 1.00 0.00 C ATOM 825 NH1 ARG A 53 12.466 -13.316 9.688 1.00 0.00 N ATOM 826 NH2 ARG A 53 11.893 -15.123 10.982 1.00 0.00 N ATOM 0 H ARG A 53 7.156 -13.088 5.903 1.00 0.00 H new ATOM 0 HA ARG A 53 7.787 -11.011 7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.246 -12.852 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 53 10.099 -11.423 6.434 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.107 -12.113 8.670 1.00 0.00 H new ATOM 0 HG3 ARG A 53 8.713 -13.155 8.469 1.00 0.00 H new ATOM 0 HD2 ARG A 53 10.109 -14.671 7.018 1.00 0.00 H new ATOM 0 HD3 ARG A 53 11.499 -13.655 7.345 1.00 0.00 H new ATOM 0 HE ARG A 53 10.249 -15.583 9.173 1.00 0.00 H new ATOM 0 HH11 ARG A 53 12.336 -12.754 8.847 1.00 0.00 H new ATOM 0 HH12 ARG A 53 13.168 -13.048 10.377 1.00 0.00 H new ATOM 0 HH21 ARG A 53 11.321 -15.953 11.137 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.596 -14.852 11.669 1.00 0.00 H new ATOM 840 N GLU A 54 8.057 -10.343 4.519 1.00 0.00 N ATOM 841 CA GLU A 54 8.136 -9.254 3.552 1.00 0.00 C ATOM 842 C GLU A 54 6.951 -8.305 3.703 1.00 0.00 C ATOM 843 O GLU A 54 7.126 -7.107 3.929 1.00 0.00 O ATOM 844 CB GLU A 54 8.182 -9.809 2.127 1.00 0.00 C ATOM 845 CG GLU A 54 9.562 -10.279 1.700 1.00 0.00 C ATOM 846 CD GLU A 54 9.550 -10.982 0.357 1.00 0.00 C ATOM 847 OE1 GLU A 54 9.094 -12.143 0.299 1.00 0.00 O ATOM 848 OE2 GLU A 54 9.997 -10.371 -0.636 1.00 0.00 O ATOM 0 H GLU A 54 8.001 -11.273 4.104 1.00 0.00 H new ATOM 0 HA GLU A 54 9.052 -8.696 3.746 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.483 -10.642 2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.840 -9.039 1.435 1.00 0.00 H new ATOM 0 HG2 GLU A 54 10.234 -9.422 1.651 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.961 -10.955 2.456 1.00 0.00 H new ATOM 855 N ILE A 55 5.745 -8.849 3.575 1.00 0.00 N ATOM 856 CA ILE A 55 4.531 -8.052 3.697 1.00 0.00 C ATOM 857 C ILE A 55 4.499 -7.299 5.023 1.00 0.00 C ATOM 858 O ILE A 55 4.554 -6.070 5.051 1.00 0.00 O ATOM 859 CB ILE A 55 3.269 -8.928 3.586 1.00 0.00 C ATOM 860 CG1 ILE A 55 3.264 -9.688 2.258 1.00 0.00 C ATOM 861 CG2 ILE A 55 2.018 -8.073 3.717 1.00 0.00 C ATOM 862 CD1 ILE A 55 2.169 -10.727 2.160 1.00 0.00 C ATOM 0 H ILE A 55 5.583 -9.838 3.387 1.00 0.00 H new ATOM 0 HA ILE A 55 4.539 -7.336 2.875 1.00 0.00 H new ATOM 0 HB ILE A 55 3.276 -9.654 4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.151 -8.975 1.441 1.00 0.00 H new ATOM 0 HG13 ILE A 55 4.230 -10.176 2.124 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.134 -8.706 3.636 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.019 -7.573 4.685 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.003 -7.326 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 55 2.226 -11.226 1.193 1.00 0.00 H new ATOM 0 HD12 ILE A 55 2.293 -11.462 2.955 1.00 0.00 H new ATOM 0 HD13 ILE A 55 1.198 -10.243 2.261 1.00 0.00 H new ATOM 874 N ASP A 56 4.411 -8.045 6.118 1.00 0.00 N ATOM 875 CA ASP A 56 4.374 -7.449 7.448 1.00 0.00 C ATOM 876 C ASP A 56 5.434 -6.360 7.585 1.00 0.00 C ATOM 877 O ASP A 56 5.162 -5.275 8.098 1.00 0.00 O ATOM 878 CB ASP A 56 4.586 -8.521 8.518 1.00 0.00 C ATOM 879 CG ASP A 56 4.514 -7.959 9.924 1.00 0.00 C ATOM 880 OD1 ASP A 56 5.505 -7.343 10.367 1.00 0.00 O ATOM 881 OD2 ASP A 56 3.467 -8.137 10.582 1.00 0.00 O ATOM 0 H ASP A 56 4.364 -9.064 6.111 1.00 0.00 H new ATOM 0 HA ASP A 56 3.392 -6.996 7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.832 -9.300 8.402 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.557 -8.993 8.368 1.00 0.00 H new ATOM 886 N ALA A 57 6.644 -6.659 7.124 1.00 0.00 N ATOM 887 CA ALA A 57 7.745 -5.706 7.194 1.00 0.00 C ATOM 888 C ALA A 57 7.464 -4.478 6.334 1.00 0.00 C ATOM 889 O ALA A 57 7.855 -3.364 6.680 1.00 0.00 O ATOM 890 CB ALA A 57 9.045 -6.368 6.763 1.00 0.00 C ATOM 0 H ALA A 57 6.887 -7.553 6.698 1.00 0.00 H new ATOM 0 HA ALA A 57 7.843 -5.378 8.229 1.00 0.00 H new ATOM 0 HB1 ALA A 57 9.858 -5.644 6.820 1.00 0.00 H new ATOM 0 HB2 ALA A 57 9.261 -7.209 7.422 1.00 0.00 H new ATOM 0 HB3 ALA A 57 8.949 -6.725 5.738 1.00 0.00 H new ATOM 896 N TRP A 58 6.785 -4.691 5.212 1.00 0.00 N ATOM 897 CA TRP A 58 6.453 -3.601 4.302 1.00 0.00 C ATOM 898 C TRP A 58 5.489 -2.618 4.958 1.00 0.00 C ATOM 899 O TRP A 58 5.806 -1.441 5.129 1.00 0.00 O ATOM 900 CB TRP A 58 5.840 -4.153 3.014 1.00 0.00 C ATOM 901 CG TRP A 58 5.662 -3.115 1.948 1.00 0.00 C ATOM 902 CD1 TRP A 58 6.595 -2.708 1.036 1.00 0.00 C ATOM 903 CD2 TRP A 58 4.481 -2.350 1.685 1.00 0.00 C ATOM 904 NE1 TRP A 58 6.063 -1.737 0.222 1.00 0.00 N ATOM 905 CE2 TRP A 58 4.768 -1.500 0.599 1.00 0.00 C ATOM 906 CE3 TRP A 58 3.208 -2.303 2.259 1.00 0.00 C ATOM 907 CZ2 TRP A 58 3.828 -0.614 0.079 1.00 0.00 C ATOM 908 CZ3 TRP A 58 2.276 -1.422 1.742 1.00 0.00 C ATOM 909 CH2 TRP A 58 2.590 -0.588 0.661 1.00 0.00 C ATOM 0 H TRP A 58 6.454 -5.608 4.911 1.00 0.00 H new ATOM 0 HA TRP A 58 7.374 -3.071 4.059 1.00 0.00 H new ATOM 0 HB2 TRP A 58 6.475 -4.951 2.631 1.00 0.00 H new ATOM 0 HB3 TRP A 58 4.872 -4.598 3.243 1.00 0.00 H new ATOM 0 HD1 TRP A 58 7.602 -3.093 0.965 1.00 0.00 H new ATOM 0 HE1 TRP A 58 6.553 -1.269 -0.540 1.00 0.00 H new ATOM 0 HE3 TRP A 58 2.956 -2.943 3.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 4.068 0.030 -0.754 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.289 -1.376 2.179 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.840 0.089 0.279 1.00 0.00 H new ATOM 920 N PHE A 59 4.309 -3.109 5.325 1.00 0.00 N ATOM 921 CA PHE A 59 3.298 -2.274 5.962 1.00 0.00 C ATOM 922 C PHE A 59 3.925 -1.378 7.026 1.00 0.00 C ATOM 923 O PHE A 59 3.620 -0.187 7.111 1.00 0.00 O ATOM 924 CB PHE A 59 2.208 -3.145 6.590 1.00 0.00 C ATOM 925 CG PHE A 59 1.126 -3.539 5.626 1.00 0.00 C ATOM 926 CD1 PHE A 59 1.432 -4.231 4.466 1.00 0.00 C ATOM 927 CD2 PHE A 59 -0.197 -3.217 5.881 1.00 0.00 C ATOM 928 CE1 PHE A 59 0.438 -4.594 3.577 1.00 0.00 C ATOM 929 CE2 PHE A 59 -1.196 -3.578 4.996 1.00 0.00 C ATOM 930 CZ PHE A 59 -0.878 -4.268 3.843 1.00 0.00 C ATOM 0 H PHE A 59 4.030 -4.081 5.192 1.00 0.00 H new ATOM 0 HA PHE A 59 2.850 -1.641 5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.665 -4.046 6.999 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.761 -2.607 7.426 1.00 0.00 H new ATOM 0 HD1 PHE A 59 2.459 -4.490 4.254 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -0.451 -2.678 6.782 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.690 -5.132 2.675 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -2.224 -3.321 5.206 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.656 -4.552 3.150 1.00 0.00 H new ATOM 940 N THR A 60 4.803 -1.958 7.838 1.00 0.00 N ATOM 941 CA THR A 60 5.472 -1.214 8.898 1.00 0.00 C ATOM 942 C THR A 60 6.178 0.018 8.344 1.00 0.00 C ATOM 943 O THR A 60 5.774 1.149 8.614 1.00 0.00 O ATOM 944 CB THR A 60 6.500 -2.091 9.637 1.00 0.00 C ATOM 945 OG1 THR A 60 5.915 -3.354 9.974 1.00 0.00 O ATOM 946 CG2 THR A 60 6.991 -1.401 10.901 1.00 0.00 C ATOM 0 H THR A 60 5.068 -2.941 7.782 1.00 0.00 H new ATOM 0 HA THR A 60 4.699 -0.902 9.601 1.00 0.00 H new ATOM 0 HB THR A 60 7.351 -2.250 8.975 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.880 -3.922 9.176 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.716 -2.039 11.406 1.00 0.00 H new ATOM 0 HG22 THR A 60 7.462 -0.454 10.639 1.00 0.00 H new ATOM 0 HG23 THR A 60 6.147 -1.215 11.565 1.00 0.00 H new ATOM 954 N GLU A 61 7.233 -0.209 7.567 1.00 0.00 N ATOM 955 CA GLU A 61 7.994 0.885 6.975 1.00 0.00 C ATOM 956 C GLU A 61 7.062 1.943 6.391 1.00 0.00 C ATOM 957 O GLU A 61 7.200 3.133 6.673 1.00 0.00 O ATOM 958 CB GLU A 61 8.928 0.355 5.886 1.00 0.00 C ATOM 959 CG GLU A 61 8.344 0.445 4.486 1.00 0.00 C ATOM 960 CD GLU A 61 9.341 0.058 3.412 1.00 0.00 C ATOM 961 OE1 GLU A 61 9.468 -1.152 3.129 1.00 0.00 O ATOM 962 OE2 GLU A 61 9.995 0.964 2.854 1.00 0.00 O ATOM 0 H GLU A 61 7.580 -1.139 7.333 1.00 0.00 H new ATOM 0 HA GLU A 61 8.590 1.346 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 61 9.863 0.915 5.917 1.00 0.00 H new ATOM 0 HB3 GLU A 61 9.172 -0.685 6.103 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.472 -0.205 4.418 1.00 0.00 H new ATOM 0 HG3 GLU A 61 7.998 1.463 4.305 1.00 0.00 H new ATOM 969 N LYS A 62 6.112 1.500 5.574 1.00 0.00 N ATOM 970 CA LYS A 62 5.156 2.406 4.949 1.00 0.00 C ATOM 971 C LYS A 62 4.672 3.456 5.943 1.00 0.00 C ATOM 972 O LYS A 62 4.700 4.654 5.659 1.00 0.00 O ATOM 973 CB LYS A 62 3.963 1.620 4.399 1.00 0.00 C ATOM 974 CG LYS A 62 4.142 1.170 2.960 1.00 0.00 C ATOM 975 CD LYS A 62 4.031 2.337 1.993 1.00 0.00 C ATOM 976 CE LYS A 62 2.594 2.558 1.548 1.00 0.00 C ATOM 977 NZ LYS A 62 2.325 3.988 1.231 1.00 0.00 N ATOM 0 H LYS A 62 5.984 0.518 5.329 1.00 0.00 H new ATOM 0 HA LYS A 62 5.659 2.915 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.795 0.745 5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 62 3.068 2.238 4.469 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.115 0.693 2.845 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.389 0.421 2.716 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.409 3.242 2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 62 4.658 2.149 1.121 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.388 1.946 0.670 1.00 0.00 H new ATOM 0 HE3 LYS A 62 1.915 2.226 2.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 1.335 4.097 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 2.497 4.569 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.955 4.298 0.464 1.00 0.00 H new ATOM 991 N LYS A 63 4.229 3.001 7.110 1.00 0.00 N ATOM 992 CA LYS A 63 3.742 3.901 8.148 1.00 0.00 C ATOM 993 C LYS A 63 4.637 5.130 8.268 1.00 0.00 C ATOM 994 O LYS A 63 4.153 6.254 8.399 1.00 0.00 O ATOM 995 CB LYS A 63 3.675 3.173 9.493 1.00 0.00 C ATOM 996 CG LYS A 63 2.672 2.033 9.518 1.00 0.00 C ATOM 997 CD LYS A 63 2.632 1.356 10.878 1.00 0.00 C ATOM 998 CE LYS A 63 1.373 0.519 11.047 1.00 0.00 C ATOM 999 NZ LYS A 63 1.329 -0.155 12.374 1.00 0.00 N ATOM 0 H LYS A 63 4.197 2.013 7.361 1.00 0.00 H new ATOM 0 HA LYS A 63 2.741 4.229 7.868 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.663 2.782 9.734 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.417 3.890 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.681 2.413 9.271 1.00 0.00 H new ATOM 0 HG3 LYS A 63 2.932 1.301 8.754 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.511 0.722 10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.676 2.111 11.663 1.00 0.00 H new ATOM 0 HE2 LYS A 63 0.496 1.156 10.934 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.327 -0.231 10.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.456 -0.715 12.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.153 -0.782 12.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.347 0.561 13.128 1.00 0.00 H new