USER MOD reduce.3.24.130724 H: found=0, std=0, add=496, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 497 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 ASN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Set 1.2: A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0.184 X(o=0.18,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 THR OG1 : rot 71:sc= 0.998 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot 86:sc= -1.51 USER MOD Single : A 45 GLN : amide:sc= 0.291 X(o=0.29,f=-0.027) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 58 MET CE :methyl 178:sc= -1.81 (180deg=-1.83) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ -165:sc= -0.239 (180deg=-0.557) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 110:sc= -0.218 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.237 USER MOD Single : A 73 CYS SG : rot 180:sc= -0.235 USER MOD ----------------------------------------------------------------- ATOM 248 N GLU A 17 -4.117 -11.874 -3.647 1.00 0.00 N ATOM 249 CA GLU A 17 -2.869 -11.189 -3.251 1.00 0.00 C ATOM 250 C GLU A 17 -2.618 -9.987 -4.178 1.00 0.00 C ATOM 251 O GLU A 17 -2.386 -8.863 -3.717 1.00 0.00 O ATOM 252 CB GLU A 17 -1.663 -12.175 -3.317 1.00 0.00 C ATOM 253 CG GLU A 17 -0.294 -11.540 -2.978 1.00 0.00 C ATOM 254 CD GLU A 17 0.891 -12.475 -3.261 1.00 0.00 C ATOM 255 OE1 GLU A 17 1.115 -13.424 -2.474 1.00 0.00 O ATOM 256 OE2 GLU A 17 1.592 -12.277 -4.277 1.00 0.00 O ATOM 0 HA GLU A 17 -2.972 -10.835 -2.225 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.847 -13.000 -2.629 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.613 -12.601 -4.319 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -0.172 -10.624 -3.556 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -0.282 -11.257 -1.925 1.00 0.00 H new ATOM 263 N GLY A 18 -2.707 -10.264 -5.494 1.00 0.00 N ATOM 264 CA GLY A 18 -2.520 -9.267 -6.535 1.00 0.00 C ATOM 265 C GLY A 18 -3.630 -8.230 -6.586 1.00 0.00 C ATOM 266 O GLY A 18 -3.383 -7.088 -6.958 1.00 0.00 O ATOM 0 H GLY A 18 -2.913 -11.196 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -1.568 -8.761 -6.376 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -2.457 -9.769 -7.501 1.00 0.00 H new ATOM 270 N HIS A 19 -4.851 -8.629 -6.202 1.00 0.00 N ATOM 271 CA HIS A 19 -6.027 -7.731 -6.215 1.00 0.00 C ATOM 272 C HIS A 19 -5.935 -6.737 -5.037 1.00 0.00 C ATOM 273 O HIS A 19 -6.271 -5.554 -5.175 1.00 0.00 O ATOM 274 CB HIS A 19 -7.337 -8.568 -6.162 1.00 0.00 C ATOM 275 CG HIS A 19 -8.598 -7.768 -6.346 1.00 0.00 C ATOM 276 ND1 HIS A 19 -9.715 -7.913 -5.547 1.00 0.00 N ATOM 277 CD2 HIS A 19 -8.926 -6.831 -7.266 1.00 0.00 C ATOM 278 CE1 HIS A 19 -10.666 -7.105 -5.968 1.00 0.00 C ATOM 279 NE2 HIS A 19 -10.211 -6.440 -7.008 1.00 0.00 N ATOM 0 H HIS A 19 -5.056 -9.573 -5.876 1.00 0.00 H new ATOM 0 HA HIS A 19 -6.041 -7.155 -7.140 1.00 0.00 H new ATOM 0 HB2 HIS A 19 -7.294 -9.336 -6.934 1.00 0.00 H new ATOM 0 HB3 HIS A 19 -7.385 -9.083 -5.202 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -8.291 -6.461 -8.057 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -11.650 -7.005 -5.534 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -10.734 -5.743 -7.538 1.00 0.00 H new ATOM 288 N LEU A 20 -5.467 -7.257 -3.895 1.00 0.00 N ATOM 289 CA LEU A 20 -5.160 -6.470 -2.682 1.00 0.00 C ATOM 290 C LEU A 20 -3.989 -5.499 -2.952 1.00 0.00 C ATOM 291 O LEU A 20 -4.015 -4.343 -2.531 1.00 0.00 O ATOM 292 CB LEU A 20 -4.856 -7.461 -1.506 1.00 0.00 C ATOM 293 CG LEU A 20 -4.640 -6.869 -0.056 1.00 0.00 C ATOM 294 CD1 LEU A 20 -3.165 -6.471 0.223 1.00 0.00 C ATOM 295 CD2 LEU A 20 -5.608 -5.687 0.221 1.00 0.00 C ATOM 0 H LEU A 20 -5.286 -8.254 -3.781 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.014 -5.854 -2.400 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -5.678 -8.175 -1.453 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -3.961 -8.024 -1.770 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.877 -7.672 0.642 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.081 -6.072 1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.527 -7.349 0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.851 -5.713 -0.494 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -5.434 -5.302 1.226 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -5.432 -4.895 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -6.638 -6.033 0.138 1.00 0.00 H new ATOM 307 N GLU A 21 -2.990 -6.002 -3.680 1.00 0.00 N ATOM 308 CA GLU A 21 -1.807 -5.248 -4.143 1.00 0.00 C ATOM 309 C GLU A 21 -2.224 -4.043 -5.002 1.00 0.00 C ATOM 310 O GLU A 21 -1.810 -2.910 -4.745 1.00 0.00 O ATOM 311 CB GLU A 21 -0.921 -6.237 -4.953 1.00 0.00 C ATOM 312 CG GLU A 21 0.129 -5.613 -5.878 1.00 0.00 C ATOM 313 CD GLU A 21 0.864 -6.676 -6.698 1.00 0.00 C ATOM 314 OE1 GLU A 21 1.899 -7.191 -6.240 1.00 0.00 O ATOM 315 OE2 GLU A 21 0.404 -7.000 -7.810 1.00 0.00 O ATOM 0 H GLU A 21 -2.975 -6.978 -3.977 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.251 -4.847 -3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.409 -6.892 -4.248 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.576 -6.867 -5.556 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -0.354 -4.904 -6.551 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.849 -5.050 -5.284 1.00 0.00 H new ATOM 322 N GLN A 22 -3.090 -4.319 -5.988 1.00 0.00 N ATOM 323 CA GLN A 22 -3.592 -3.305 -6.929 1.00 0.00 C ATOM 324 C GLN A 22 -4.466 -2.270 -6.205 1.00 0.00 C ATOM 325 O GLN A 22 -4.495 -1.104 -6.605 1.00 0.00 O ATOM 326 CB GLN A 22 -4.381 -3.979 -8.071 1.00 0.00 C ATOM 327 CG GLN A 22 -3.511 -4.782 -9.049 1.00 0.00 C ATOM 328 CD GLN A 22 -4.331 -5.590 -10.060 1.00 0.00 C ATOM 329 OE1 GLN A 22 -4.692 -5.094 -11.127 1.00 0.00 O ATOM 330 NE2 GLN A 22 -4.653 -6.834 -9.723 1.00 0.00 N ATOM 0 H GLN A 22 -3.463 -5.253 -6.156 1.00 0.00 H new ATOM 0 HA GLN A 22 -2.737 -2.782 -7.358 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -5.129 -4.643 -7.638 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -4.920 -3.212 -8.627 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -2.854 -4.098 -9.587 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -2.872 -5.460 -8.484 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -4.339 -7.218 -8.832 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -5.214 -7.405 -10.356 1.00 0.00 H new ATOM 339 N ARG A 23 -5.174 -2.702 -5.139 1.00 0.00 N ATOM 340 CA ARG A 23 -5.953 -1.801 -4.279 1.00 0.00 C ATOM 341 C ARG A 23 -5.030 -0.786 -3.584 1.00 0.00 C ATOM 342 O ARG A 23 -5.320 0.407 -3.592 1.00 0.00 O ATOM 343 CB ARG A 23 -6.740 -2.630 -3.224 1.00 0.00 C ATOM 344 CG ARG A 23 -7.518 -1.802 -2.178 1.00 0.00 C ATOM 345 CD ARG A 23 -8.599 -0.898 -2.784 1.00 0.00 C ATOM 346 NE ARG A 23 -9.670 -1.661 -3.445 1.00 0.00 N ATOM 347 CZ ARG A 23 -10.795 -1.131 -3.956 1.00 0.00 C ATOM 348 NH1 ARG A 23 -11.021 0.188 -3.900 1.00 0.00 N ATOM 349 NH2 ARG A 23 -11.703 -1.928 -4.514 1.00 0.00 N ATOM 0 H ARG A 23 -5.218 -3.681 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 23 -6.661 -1.249 -4.897 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.444 -3.277 -3.747 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -6.039 -3.279 -2.700 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -7.984 -2.481 -1.464 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.814 -1.186 -1.619 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.031 -0.278 -1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.140 -0.223 -3.506 1.00 0.00 H new ATOM 0 HE ARG A 23 -9.549 -2.671 -3.521 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -10.335 0.805 -3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.879 0.575 -4.292 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.543 -2.935 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -12.559 -1.532 -4.903 1.00 0.00 H new ATOM 363 N ILE A 24 -3.910 -1.288 -3.005 1.00 0.00 N ATOM 364 CA ILE A 24 -2.927 -0.443 -2.295 1.00 0.00 C ATOM 365 C ILE A 24 -2.348 0.609 -3.258 1.00 0.00 C ATOM 366 O ILE A 24 -2.327 1.800 -2.935 1.00 0.00 O ATOM 367 CB ILE A 24 -1.749 -1.269 -1.655 1.00 0.00 C ATOM 368 CG1 ILE A 24 -2.281 -2.361 -0.676 1.00 0.00 C ATOM 369 CG2 ILE A 24 -0.756 -0.320 -0.933 1.00 0.00 C ATOM 370 CD1 ILE A 24 -1.212 -3.279 -0.108 1.00 0.00 C ATOM 0 H ILE A 24 -3.668 -2.279 -3.019 1.00 0.00 H new ATOM 0 HA ILE A 24 -3.463 0.039 -1.478 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.222 -1.781 -2.460 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -2.795 -1.870 0.150 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.022 -2.967 -1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 24 0.053 -0.905 -0.495 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.344 0.390 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.279 0.223 -0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.674 -4.005 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.712 -3.803 -0.923 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.482 -2.689 0.446 1.00 0.00 H new ATOM 382 N LEU A 25 -1.948 0.159 -4.471 1.00 0.00 N ATOM 383 CA LEU A 25 -1.343 1.023 -5.502 1.00 0.00 C ATOM 384 C LEU A 25 -2.330 2.123 -5.950 1.00 0.00 C ATOM 385 O LEU A 25 -1.919 3.258 -6.196 1.00 0.00 O ATOM 386 CB LEU A 25 -0.895 0.164 -6.723 1.00 0.00 C ATOM 387 CG LEU A 25 0.177 -0.933 -6.427 1.00 0.00 C ATOM 388 CD1 LEU A 25 0.482 -1.781 -7.685 1.00 0.00 C ATOM 389 CD2 LEU A 25 1.457 -0.299 -5.848 1.00 0.00 C ATOM 0 H LEU A 25 -2.038 -0.816 -4.759 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.468 1.511 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.776 -0.320 -7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -0.501 0.833 -7.488 1.00 0.00 H new ATOM 0 HG LEU A 25 -0.232 -1.610 -5.677 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.232 -2.534 -7.443 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.430 -2.273 -8.022 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.860 -1.134 -8.477 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.191 -1.079 -5.649 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.868 0.411 -6.566 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.218 0.220 -4.920 1.00 0.00 H new ATOM 401 N GLN A 26 -3.633 1.765 -6.003 1.00 0.00 N ATOM 402 CA GLN A 26 -4.716 2.693 -6.383 1.00 0.00 C ATOM 403 C GLN A 26 -4.938 3.747 -5.280 1.00 0.00 C ATOM 404 O GLN A 26 -5.037 4.924 -5.581 1.00 0.00 O ATOM 405 CB GLN A 26 -6.031 1.916 -6.697 1.00 0.00 C ATOM 406 CG GLN A 26 -7.221 2.813 -7.098 1.00 0.00 C ATOM 407 CD GLN A 26 -8.464 2.017 -7.512 1.00 0.00 C ATOM 408 OE1 GLN A 26 -8.668 1.720 -8.691 1.00 0.00 O ATOM 409 NE2 GLN A 26 -9.282 1.637 -6.546 1.00 0.00 N ATOM 0 H GLN A 26 -3.961 0.824 -5.783 1.00 0.00 H new ATOM 0 HA GLN A 26 -4.417 3.215 -7.292 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -5.837 1.209 -7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.311 1.331 -5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -7.476 3.463 -6.261 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -6.919 3.459 -7.923 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -9.086 1.898 -5.580 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.109 1.082 -6.767 1.00 0.00 H new ATOM 418 N VAL A 27 -4.967 3.301 -4.003 1.00 0.00 N ATOM 419 CA VAL A 27 -5.060 4.189 -2.815 1.00 0.00 C ATOM 420 C VAL A 27 -3.940 5.253 -2.832 1.00 0.00 C ATOM 421 O VAL A 27 -4.183 6.451 -2.611 1.00 0.00 O ATOM 422 CB VAL A 27 -4.971 3.340 -1.487 1.00 0.00 C ATOM 423 CG1 VAL A 27 -4.805 4.230 -0.242 1.00 0.00 C ATOM 424 CG2 VAL A 27 -6.198 2.412 -1.336 1.00 0.00 C ATOM 0 H VAL A 27 -4.926 2.310 -3.764 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.023 4.699 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.078 2.720 -1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.748 3.604 0.648 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.890 4.816 -0.333 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.659 4.902 -0.159 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.110 1.839 -0.413 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.107 3.013 -1.305 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.244 1.728 -2.184 1.00 0.00 H new ATOM 434 N LEU A 28 -2.724 4.785 -3.148 1.00 0.00 N ATOM 435 CA LEU A 28 -1.528 5.632 -3.240 1.00 0.00 C ATOM 436 C LEU A 28 -1.656 6.628 -4.418 1.00 0.00 C ATOM 437 O LEU A 28 -1.257 7.788 -4.293 1.00 0.00 O ATOM 438 CB LEU A 28 -0.262 4.748 -3.384 1.00 0.00 C ATOM 439 CG LEU A 28 0.028 3.787 -2.190 1.00 0.00 C ATOM 440 CD1 LEU A 28 1.202 2.848 -2.501 1.00 0.00 C ATOM 441 CD2 LEU A 28 0.275 4.559 -0.879 1.00 0.00 C ATOM 0 H LEU A 28 -2.542 3.801 -3.348 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.434 6.215 -2.324 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.358 4.152 -4.292 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.601 5.400 -3.520 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.864 3.177 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.378 2.191 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.965 2.247 -3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.098 3.438 -2.696 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.473 3.853 -0.073 1.00 0.00 H new ATOM 0 HD22 LEU A 28 1.133 5.219 -1.002 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.607 5.151 -0.634 1.00 0.00 H new ATOM 453 N THR A 29 -2.258 6.165 -5.536 1.00 0.00 N ATOM 454 CA THR A 29 -2.511 6.981 -6.740 1.00 0.00 C ATOM 455 C THR A 29 -3.495 8.133 -6.449 1.00 0.00 C ATOM 456 O THR A 29 -3.191 9.296 -6.742 1.00 0.00 O ATOM 457 CB THR A 29 -3.067 6.070 -7.897 1.00 0.00 C ATOM 458 OG1 THR A 29 -2.078 5.098 -8.276 1.00 0.00 O ATOM 459 CG2 THR A 29 -3.503 6.869 -9.141 1.00 0.00 C ATOM 0 H THR A 29 -2.585 5.203 -5.627 1.00 0.00 H new ATOM 0 HA THR A 29 -1.565 7.425 -7.051 1.00 0.00 H new ATOM 0 HB THR A 29 -3.956 5.577 -7.504 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.989 4.428 -7.566 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.876 6.183 -9.901 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.291 7.570 -8.866 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.650 7.420 -9.537 1.00 0.00 H new ATOM 467 N GLU A 30 -4.658 7.803 -5.840 1.00 0.00 N ATOM 468 CA GLU A 30 -5.757 8.764 -5.620 1.00 0.00 C ATOM 469 C GLU A 30 -5.326 9.906 -4.689 1.00 0.00 C ATOM 470 O GLU A 30 -5.596 11.080 -4.966 1.00 0.00 O ATOM 471 CB GLU A 30 -6.983 8.045 -4.999 1.00 0.00 C ATOM 472 CG GLU A 30 -7.506 6.828 -5.782 1.00 0.00 C ATOM 473 CD GLU A 30 -7.932 7.148 -7.220 1.00 0.00 C ATOM 474 OE1 GLU A 30 -9.076 7.618 -7.424 1.00 0.00 O ATOM 475 OE2 GLU A 30 -7.138 6.927 -8.154 1.00 0.00 O ATOM 0 H GLU A 30 -4.857 6.866 -5.490 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.023 9.183 -6.590 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.720 7.721 -3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.794 8.767 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -6.730 6.063 -5.806 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.356 6.403 -5.248 1.00 0.00 H new ATOM 482 N ALA A 31 -4.676 9.524 -3.580 1.00 0.00 N ATOM 483 CA ALA A 31 -4.155 10.471 -2.592 1.00 0.00 C ATOM 484 C ALA A 31 -3.042 11.336 -3.207 1.00 0.00 C ATOM 485 O ALA A 31 -2.960 12.543 -2.935 1.00 0.00 O ATOM 486 CB ALA A 31 -3.655 9.701 -1.365 1.00 0.00 C ATOM 0 H ALA A 31 -4.498 8.547 -3.346 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.952 11.145 -2.277 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.267 10.404 -0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -4.479 9.136 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.863 9.014 -1.664 1.00 0.00 H new ATOM 492 N GLY A 32 -2.205 10.704 -4.058 1.00 0.00 N ATOM 493 CA GLY A 32 -1.107 11.392 -4.744 1.00 0.00 C ATOM 494 C GLY A 32 0.123 11.537 -3.857 1.00 0.00 C ATOM 495 O GLY A 32 1.222 11.105 -4.224 1.00 0.00 O ATOM 0 H GLY A 32 -2.276 9.712 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.840 10.839 -5.645 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.442 12.379 -5.063 1.00 0.00 H new ATOM 499 N SER A 33 -0.072 12.170 -2.694 1.00 0.00 N ATOM 500 CA SER A 33 0.944 12.295 -1.646 1.00 0.00 C ATOM 501 C SER A 33 1.166 10.935 -0.926 1.00 0.00 C ATOM 502 O SER A 33 0.329 10.030 -1.052 1.00 0.00 O ATOM 503 CB SER A 33 0.474 13.382 -0.648 1.00 0.00 C ATOM 504 OG SER A 33 -0.792 13.056 -0.084 1.00 0.00 O ATOM 0 H SER A 33 -0.956 12.617 -2.452 1.00 0.00 H new ATOM 0 HA SER A 33 1.899 12.584 -2.085 1.00 0.00 H new ATOM 0 HB2 SER A 33 1.211 13.491 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 33 0.410 14.343 -1.158 1.00 0.00 H new ATOM 0 HG SER A 33 -1.062 13.759 0.543 1.00 0.00 H new ATOM 510 N PRO A 34 2.317 10.755 -0.191 1.00 0.00 N ATOM 511 CA PRO A 34 2.553 9.559 0.668 1.00 0.00 C ATOM 512 C PRO A 34 1.383 9.255 1.630 1.00 0.00 C ATOM 513 O PRO A 34 0.768 10.174 2.177 1.00 0.00 O ATOM 514 CB PRO A 34 3.822 9.953 1.458 1.00 0.00 C ATOM 515 CG PRO A 34 4.565 10.884 0.548 1.00 0.00 C ATOM 516 CD PRO A 34 3.500 11.672 -0.181 1.00 0.00 C ATOM 0 HA PRO A 34 2.653 8.648 0.077 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.567 10.440 2.399 1.00 0.00 H new ATOM 0 HB3 PRO A 34 4.423 9.077 1.704 1.00 0.00 H new ATOM 0 HG2 PRO A 34 5.223 11.544 1.114 1.00 0.00 H new ATOM 0 HG3 PRO A 34 5.192 10.331 -0.152 1.00 0.00 H new ATOM 0 HD2 PRO A 34 3.275 12.608 0.330 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.815 11.929 -1.192 1.00 0.00 H new ATOM 524 N VAL A 35 1.095 7.963 1.841 1.00 0.00 N ATOM 525 CA VAL A 35 -0.025 7.499 2.688 1.00 0.00 C ATOM 526 C VAL A 35 0.520 6.610 3.812 1.00 0.00 C ATOM 527 O VAL A 35 1.300 5.694 3.554 1.00 0.00 O ATOM 528 CB VAL A 35 -1.099 6.675 1.874 1.00 0.00 C ATOM 529 CG1 VAL A 35 -2.316 6.313 2.757 1.00 0.00 C ATOM 530 CG2 VAL A 35 -1.535 7.420 0.592 1.00 0.00 C ATOM 0 H VAL A 35 1.633 7.201 1.428 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.513 8.388 3.088 1.00 0.00 H new ATOM 0 HB VAL A 35 -0.628 5.743 1.563 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.037 5.746 2.168 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.985 5.711 3.603 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.785 7.227 3.123 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.274 6.823 0.058 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.971 8.382 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.668 7.581 -0.048 1.00 0.00 H new ATOM 540 N LYS A 36 0.088 6.870 5.047 1.00 0.00 N ATOM 541 CA LYS A 36 0.461 6.061 6.211 1.00 0.00 C ATOM 542 C LYS A 36 -0.212 4.682 6.124 1.00 0.00 C ATOM 543 O LYS A 36 -1.312 4.552 5.576 1.00 0.00 O ATOM 544 CB LYS A 36 0.072 6.810 7.510 1.00 0.00 C ATOM 545 CG LYS A 36 0.859 8.128 7.720 1.00 0.00 C ATOM 546 CD LYS A 36 0.351 8.947 8.933 1.00 0.00 C ATOM 547 CE LYS A 36 -1.059 9.514 8.703 1.00 0.00 C ATOM 548 NZ LYS A 36 -1.580 10.234 9.896 1.00 0.00 N ATOM 0 H LYS A 36 -0.532 7.649 5.270 1.00 0.00 H new ATOM 0 HA LYS A 36 1.539 5.903 6.225 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.995 7.032 7.487 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.242 6.154 8.364 1.00 0.00 H new ATOM 0 HG2 LYS A 36 1.915 7.896 7.861 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.784 8.737 6.819 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.345 8.313 9.820 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.042 9.766 9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.040 10.193 7.851 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.738 8.701 8.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -2.533 10.598 9.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.624 9.581 10.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.948 11.027 10.126 1.00 0.00 H new ATOM 562 N LEU A 37 0.478 3.674 6.665 1.00 0.00 N ATOM 563 CA LEU A 37 0.036 2.268 6.680 1.00 0.00 C ATOM 564 C LEU A 37 -1.293 2.129 7.444 1.00 0.00 C ATOM 565 O LEU A 37 -2.207 1.438 6.982 1.00 0.00 O ATOM 566 CB LEU A 37 1.148 1.389 7.309 1.00 0.00 C ATOM 567 CG LEU A 37 0.815 -0.119 7.557 1.00 0.00 C ATOM 568 CD1 LEU A 37 0.354 -0.850 6.272 1.00 0.00 C ATOM 569 CD2 LEU A 37 2.022 -0.831 8.203 1.00 0.00 C ATOM 0 H LEU A 37 1.382 3.812 7.117 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.140 1.928 5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 37 2.024 1.439 6.662 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.430 1.834 8.263 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.029 -0.156 8.246 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.137 -1.893 6.505 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -0.544 -0.370 5.883 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.144 -0.802 5.523 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.778 -1.880 8.371 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.884 -0.760 7.540 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.257 -0.356 9.156 1.00 0.00 H new ATOM 581 N ALA A 38 -1.369 2.784 8.612 1.00 0.00 N ATOM 582 CA ALA A 38 -2.621 2.985 9.377 1.00 0.00 C ATOM 583 C ALA A 38 -3.796 3.514 8.513 1.00 0.00 C ATOM 584 O ALA A 38 -4.944 3.106 8.720 1.00 0.00 O ATOM 585 CB ALA A 38 -2.360 3.941 10.544 1.00 0.00 C ATOM 0 H ALA A 38 -0.553 3.197 9.063 1.00 0.00 H new ATOM 0 HA ALA A 38 -2.926 2.005 9.745 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.282 4.089 11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -1.599 3.516 11.199 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.013 4.900 10.158 1.00 0.00 H new ATOM 591 N GLN A 39 -3.514 4.413 7.550 1.00 0.00 N ATOM 592 CA GLN A 39 -4.546 4.959 6.641 1.00 0.00 C ATOM 593 C GLN A 39 -4.814 3.990 5.464 1.00 0.00 C ATOM 594 O GLN A 39 -5.924 3.942 4.941 1.00 0.00 O ATOM 595 CB GLN A 39 -4.114 6.363 6.132 1.00 0.00 C ATOM 596 CG GLN A 39 -5.113 7.033 5.164 1.00 0.00 C ATOM 597 CD GLN A 39 -4.814 8.509 4.898 1.00 0.00 C ATOM 598 OE1 GLN A 39 -4.340 9.231 5.778 1.00 0.00 O ATOM 599 NE2 GLN A 39 -5.069 8.962 3.686 1.00 0.00 N ATOM 0 H GLN A 39 -2.577 4.779 7.380 1.00 0.00 H new ATOM 0 HA GLN A 39 -5.480 5.066 7.192 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.967 7.017 6.992 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.150 6.273 5.632 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -5.106 6.493 4.217 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -6.119 6.943 5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -5.461 8.338 2.981 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -4.874 9.936 3.454 1.00 0.00 H new ATOM 608 N LEU A 40 -3.796 3.204 5.074 1.00 0.00 N ATOM 609 CA LEU A 40 -3.954 2.153 4.049 1.00 0.00 C ATOM 610 C LEU A 40 -5.000 1.109 4.510 1.00 0.00 C ATOM 611 O LEU A 40 -5.716 0.549 3.683 1.00 0.00 O ATOM 612 CB LEU A 40 -2.587 1.471 3.716 1.00 0.00 C ATOM 613 CG LEU A 40 -1.542 2.367 2.968 1.00 0.00 C ATOM 614 CD1 LEU A 40 -0.176 1.663 2.841 1.00 0.00 C ATOM 615 CD2 LEU A 40 -2.073 2.788 1.583 1.00 0.00 C ATOM 0 H LEU A 40 -2.852 3.276 5.453 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.313 2.622 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -2.139 1.124 4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.782 0.588 3.107 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.393 3.266 3.567 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.522 2.315 2.317 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.212 1.440 3.835 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.295 0.735 2.281 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -1.331 3.409 1.082 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.267 1.899 0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.997 3.353 1.704 1.00 0.00 H new ATOM 627 N VAL A 41 -5.077 0.876 5.848 1.00 0.00 N ATOM 628 CA VAL A 41 -6.066 -0.041 6.476 1.00 0.00 C ATOM 629 C VAL A 41 -7.513 0.349 6.121 1.00 0.00 C ATOM 630 O VAL A 41 -8.257 -0.471 5.561 1.00 0.00 O ATOM 631 CB VAL A 41 -5.904 -0.089 8.044 1.00 0.00 C ATOM 632 CG1 VAL A 41 -6.821 -1.157 8.688 1.00 0.00 C ATOM 633 CG2 VAL A 41 -4.436 -0.316 8.448 1.00 0.00 C ATOM 0 H VAL A 41 -4.453 1.320 6.522 1.00 0.00 H new ATOM 0 HA VAL A 41 -5.863 -1.033 6.072 1.00 0.00 H new ATOM 0 HB VAL A 41 -6.216 0.884 8.425 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -6.677 -1.156 9.769 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -7.862 -0.928 8.460 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.570 -2.140 8.290 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.358 -0.344 9.535 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -4.087 -1.262 8.035 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.822 0.497 8.061 1.00 0.00 H new ATOM 643 N LYS A 42 -7.886 1.611 6.424 1.00 0.00 N ATOM 644 CA LYS A 42 -9.260 2.109 6.195 1.00 0.00 C ATOM 645 C LYS A 42 -9.599 2.121 4.690 1.00 0.00 C ATOM 646 O LYS A 42 -10.657 1.640 4.294 1.00 0.00 O ATOM 647 CB LYS A 42 -9.490 3.514 6.832 1.00 0.00 C ATOM 648 CG LYS A 42 -8.507 4.609 6.378 1.00 0.00 C ATOM 649 CD LYS A 42 -8.873 6.034 6.858 1.00 0.00 C ATOM 650 CE LYS A 42 -10.175 6.571 6.229 1.00 0.00 C ATOM 651 NZ LYS A 42 -10.436 7.993 6.603 1.00 0.00 N ATOM 0 H LYS A 42 -7.255 2.303 6.828 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.939 1.417 6.694 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -10.504 3.839 6.599 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -9.427 3.418 7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -7.511 4.360 6.743 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -8.457 4.607 5.289 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -8.976 6.030 7.943 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -8.054 6.713 6.618 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -10.114 6.488 5.144 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.014 5.953 6.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -11.320 8.312 6.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -10.521 8.070 7.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -9.649 8.588 6.275 1.00 0.00 H new ATOM 665 N GLU A 43 -8.681 2.654 3.865 1.00 0.00 N ATOM 666 CA GLU A 43 -8.870 2.774 2.408 1.00 0.00 C ATOM 667 C GLU A 43 -9.041 1.411 1.715 1.00 0.00 C ATOM 668 O GLU A 43 -9.967 1.225 0.920 1.00 0.00 O ATOM 669 CB GLU A 43 -7.669 3.527 1.808 1.00 0.00 C ATOM 670 CG GLU A 43 -7.472 4.955 2.346 1.00 0.00 C ATOM 671 CD GLU A 43 -8.655 5.889 2.055 1.00 0.00 C ATOM 672 OE1 GLU A 43 -8.704 6.468 0.949 1.00 0.00 O ATOM 673 OE2 GLU A 43 -9.542 6.048 2.925 1.00 0.00 O ATOM 0 H GLU A 43 -7.784 3.015 4.191 1.00 0.00 H new ATOM 0 HA GLU A 43 -9.793 3.328 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.763 2.952 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.791 3.575 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.312 4.910 3.423 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.569 5.379 1.907 1.00 0.00 H new ATOM 680 N CYS A 44 -8.152 0.464 2.033 1.00 0.00 N ATOM 681 CA CYS A 44 -8.148 -0.864 1.403 1.00 0.00 C ATOM 682 C CYS A 44 -9.164 -1.819 2.063 1.00 0.00 C ATOM 683 O CYS A 44 -9.424 -2.899 1.518 1.00 0.00 O ATOM 684 CB CYS A 44 -6.731 -1.466 1.463 1.00 0.00 C ATOM 685 SG CYS A 44 -5.461 -0.447 0.684 1.00 0.00 S ATOM 0 H CYS A 44 -7.418 0.593 2.730 1.00 0.00 H new ATOM 0 HA CYS A 44 -8.448 -0.740 0.362 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.461 -1.628 2.507 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -6.743 -2.444 0.981 1.00 0.00 H new ATOM 0 HG CYS A 44 -5.016 0.423 1.541 1.00 0.00 H new ATOM 691 N GLN A 45 -9.706 -1.418 3.246 1.00 0.00 N ATOM 692 CA GLN A 45 -10.687 -2.224 4.022 1.00 0.00 C ATOM 693 C GLN A 45 -10.133 -3.618 4.375 1.00 0.00 C ATOM 694 O GLN A 45 -10.879 -4.585 4.544 1.00 0.00 O ATOM 695 CB GLN A 45 -12.052 -2.297 3.267 1.00 0.00 C ATOM 696 CG GLN A 45 -12.861 -0.979 3.281 1.00 0.00 C ATOM 697 CD GLN A 45 -13.453 -0.654 4.658 1.00 0.00 C ATOM 698 OE1 GLN A 45 -14.591 -1.013 4.965 1.00 0.00 O ATOM 699 NE2 GLN A 45 -12.676 -0.013 5.511 1.00 0.00 N ATOM 0 H GLN A 45 -9.475 -0.528 3.687 1.00 0.00 H new ATOM 0 HA GLN A 45 -10.864 -1.722 4.973 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -11.866 -2.584 2.232 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -12.658 -3.086 3.713 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -12.215 -0.159 2.967 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -13.668 -1.047 2.551 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.738 0.273 5.231 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -13.014 0.196 6.450 1.00 0.00 H new ATOM 708 N ALA A 46 -8.810 -3.669 4.556 1.00 0.00 N ATOM 709 CA ALA A 46 -8.055 -4.907 4.794 1.00 0.00 C ATOM 710 C ALA A 46 -7.237 -4.775 6.088 1.00 0.00 C ATOM 711 O ALA A 46 -6.919 -3.651 6.495 1.00 0.00 O ATOM 712 CB ALA A 46 -7.151 -5.185 3.580 1.00 0.00 C ATOM 0 H ALA A 46 -8.221 -2.836 4.541 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.737 -5.748 4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -6.587 -6.102 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -7.766 -5.296 2.687 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.459 -4.354 3.444 1.00 0.00 H new ATOM 718 N PRO A 47 -6.891 -5.914 6.781 1.00 0.00 N ATOM 719 CA PRO A 47 -6.032 -5.865 7.984 1.00 0.00 C ATOM 720 C PRO A 47 -4.628 -5.309 7.640 1.00 0.00 C ATOM 721 O PRO A 47 -4.044 -5.683 6.617 1.00 0.00 O ATOM 722 CB PRO A 47 -5.981 -7.345 8.470 1.00 0.00 C ATOM 723 CG PRO A 47 -6.335 -8.164 7.264 1.00 0.00 C ATOM 724 CD PRO A 47 -7.309 -7.318 6.469 1.00 0.00 C ATOM 0 HA PRO A 47 -6.415 -5.199 8.757 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.991 -7.603 8.845 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.685 -7.517 9.284 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -5.448 -8.398 6.675 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -6.786 -9.113 7.553 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.244 -7.528 5.401 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.340 -7.505 6.768 1.00 0.00 H new ATOM 732 N LYS A 48 -4.165 -4.351 8.464 1.00 0.00 N ATOM 733 CA LYS A 48 -2.810 -3.755 8.397 1.00 0.00 C ATOM 734 C LYS A 48 -1.701 -4.785 8.094 1.00 0.00 C ATOM 735 O LYS A 48 -0.832 -4.528 7.272 1.00 0.00 O ATOM 736 CB LYS A 48 -2.488 -3.050 9.737 1.00 0.00 C ATOM 737 CG LYS A 48 -1.127 -2.331 9.762 1.00 0.00 C ATOM 738 CD LYS A 48 -0.829 -1.643 11.109 1.00 0.00 C ATOM 739 CE LYS A 48 -1.800 -0.497 11.441 1.00 0.00 C ATOM 740 NZ LYS A 48 -1.552 0.064 12.801 1.00 0.00 N ATOM 0 H LYS A 48 -4.733 -3.958 9.214 1.00 0.00 H new ATOM 0 HA LYS A 48 -2.824 -3.045 7.570 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.273 -2.325 9.951 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.510 -3.789 10.538 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -0.338 -3.052 9.547 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -1.102 -1.586 8.967 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.871 -2.387 11.905 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.189 -1.253 11.091 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.697 0.293 10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -2.826 -0.861 11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.226 0.834 12.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.675 -0.684 13.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.581 0.434 12.852 1.00 0.00 H new ATOM 754 N ARG A 49 -1.769 -5.947 8.767 1.00 0.00 N ATOM 755 CA ARG A 49 -0.796 -7.050 8.620 1.00 0.00 C ATOM 756 C ARG A 49 -0.710 -7.562 7.159 1.00 0.00 C ATOM 757 O ARG A 49 0.392 -7.801 6.642 1.00 0.00 O ATOM 758 CB ARG A 49 -1.185 -8.212 9.566 1.00 0.00 C ATOM 759 CG ARG A 49 -0.157 -9.360 9.638 1.00 0.00 C ATOM 760 CD ARG A 49 -0.678 -10.550 10.454 1.00 0.00 C ATOM 761 NE ARG A 49 -1.874 -11.140 9.831 1.00 0.00 N ATOM 762 CZ ARG A 49 -2.906 -11.694 10.486 1.00 0.00 C ATOM 763 NH1 ARG A 49 -2.922 -11.755 11.817 1.00 0.00 N ATOM 764 NH2 ARG A 49 -3.936 -12.161 9.787 1.00 0.00 N ATOM 0 H ARG A 49 -2.510 -6.152 9.438 1.00 0.00 H new ATOM 0 HA ARG A 49 0.188 -6.664 8.887 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -1.332 -7.811 10.569 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -2.142 -8.620 9.242 1.00 0.00 H new ATOM 0 HG2 ARG A 49 0.087 -9.692 8.629 1.00 0.00 H new ATOM 0 HG3 ARG A 49 0.767 -8.992 10.084 1.00 0.00 H new ATOM 0 HD2 ARG A 49 0.102 -11.306 10.538 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -0.916 -10.224 11.467 1.00 0.00 H new ATOM 0 HE ARG A 49 -1.923 -11.127 8.812 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.142 -11.377 12.354 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.715 -12.180 12.299 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.933 -12.095 8.769 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.729 -12.585 10.269 1.00 0.00 H new ATOM 778 N GLU A 50 -1.888 -7.697 6.508 1.00 0.00 N ATOM 779 CA GLU A 50 -2.004 -8.165 5.108 1.00 0.00 C ATOM 780 C GLU A 50 -1.335 -7.147 4.158 1.00 0.00 C ATOM 781 O GLU A 50 -0.486 -7.498 3.334 1.00 0.00 O ATOM 782 CB GLU A 50 -3.508 -8.325 4.735 1.00 0.00 C ATOM 783 CG GLU A 50 -3.810 -9.090 3.431 1.00 0.00 C ATOM 784 CD GLU A 50 -3.500 -10.597 3.528 1.00 0.00 C ATOM 785 OE1 GLU A 50 -4.216 -11.308 4.261 1.00 0.00 O ATOM 786 OE2 GLU A 50 -2.555 -11.079 2.881 1.00 0.00 O ATOM 0 H GLU A 50 -2.787 -7.484 6.940 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.503 -9.128 5.007 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -4.012 -8.836 5.556 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.949 -7.331 4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.861 -8.957 3.174 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.226 -8.657 2.619 1.00 0.00 H new ATOM 793 N LEU A 51 -1.715 -5.871 4.335 1.00 0.00 N ATOM 794 CA LEU A 51 -1.222 -4.737 3.525 1.00 0.00 C ATOM 795 C LEU A 51 0.302 -4.596 3.624 1.00 0.00 C ATOM 796 O LEU A 51 0.992 -4.606 2.614 1.00 0.00 O ATOM 797 CB LEU A 51 -1.899 -3.440 4.015 1.00 0.00 C ATOM 798 CG LEU A 51 -3.448 -3.458 3.960 1.00 0.00 C ATOM 799 CD1 LEU A 51 -4.039 -2.265 4.703 1.00 0.00 C ATOM 800 CD2 LEU A 51 -3.945 -3.507 2.510 1.00 0.00 C ATOM 0 H LEU A 51 -2.382 -5.591 5.054 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.471 -4.923 2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.588 -3.249 5.042 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.537 -2.607 3.412 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.790 -4.363 4.462 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -5.127 -2.304 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -3.728 -2.296 5.747 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -3.686 -1.341 4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -5.035 -3.519 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -3.586 -2.629 1.973 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.568 -4.408 2.026 1.00 0.00 H new ATOM 812 N ASN A 52 0.762 -4.497 4.885 1.00 0.00 N ATOM 813 CA ASN A 52 2.168 -4.295 5.289 1.00 0.00 C ATOM 814 C ASN A 52 3.110 -5.299 4.617 1.00 0.00 C ATOM 815 O ASN A 52 4.110 -4.904 4.008 1.00 0.00 O ATOM 816 CB ASN A 52 2.264 -4.407 6.840 1.00 0.00 C ATOM 817 CG ASN A 52 3.641 -4.085 7.408 1.00 0.00 C ATOM 818 OD1 ASN A 52 4.387 -3.283 6.845 1.00 0.00 O ATOM 819 ND2 ASN A 52 3.973 -4.685 8.537 1.00 0.00 N ATOM 0 H ASN A 52 0.136 -4.558 5.688 1.00 0.00 H new ATOM 0 HA ASN A 52 2.484 -3.304 4.964 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.533 -3.733 7.287 1.00 0.00 H new ATOM 0 HB3 ASN A 52 1.989 -5.419 7.137 1.00 0.00 H new ATOM 0 HD21 ASN A 52 4.875 -4.490 8.972 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.328 -5.344 8.973 1.00 0.00 H new ATOM 826 N GLN A 53 2.762 -6.592 4.720 1.00 0.00 N ATOM 827 CA GLN A 53 3.561 -7.681 4.138 1.00 0.00 C ATOM 828 C GLN A 53 3.637 -7.562 2.599 1.00 0.00 C ATOM 829 O GLN A 53 4.721 -7.704 2.025 1.00 0.00 O ATOM 830 CB GLN A 53 3.002 -9.061 4.565 1.00 0.00 C ATOM 831 CG GLN A 53 3.830 -10.263 4.059 1.00 0.00 C ATOM 832 CD GLN A 53 3.297 -11.627 4.519 1.00 0.00 C ATOM 833 OE1 GLN A 53 2.097 -11.812 4.726 1.00 0.00 O ATOM 834 NE2 GLN A 53 4.179 -12.599 4.670 1.00 0.00 N ATOM 0 H GLN A 53 1.924 -6.910 5.206 1.00 0.00 H new ATOM 0 HA GLN A 53 4.577 -7.594 4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 53 2.953 -9.100 5.653 1.00 0.00 H new ATOM 0 HB3 GLN A 53 1.981 -9.157 4.197 1.00 0.00 H new ATOM 0 HG2 GLN A 53 3.853 -10.242 2.969 1.00 0.00 H new ATOM 0 HG3 GLN A 53 4.859 -10.152 4.402 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.168 -12.422 4.493 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.871 -13.526 4.964 1.00 0.00 H new ATOM 843 N VAL A 54 2.493 -7.259 1.941 1.00 0.00 N ATOM 844 CA VAL A 54 2.443 -7.099 0.470 1.00 0.00 C ATOM 845 C VAL A 54 3.281 -5.869 0.037 1.00 0.00 C ATOM 846 O VAL A 54 3.934 -5.893 -1.004 1.00 0.00 O ATOM 847 CB VAL A 54 0.955 -6.978 -0.046 1.00 0.00 C ATOM 848 CG1 VAL A 54 0.881 -6.680 -1.565 1.00 0.00 C ATOM 849 CG2 VAL A 54 0.151 -8.256 0.288 1.00 0.00 C ATOM 0 H VAL A 54 1.595 -7.121 2.405 1.00 0.00 H new ATOM 0 HA VAL A 54 2.874 -7.992 0.016 1.00 0.00 H new ATOM 0 HB VAL A 54 0.509 -6.131 0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.163 -6.606 -1.871 1.00 0.00 H new ATOM 0 HG12 VAL A 54 1.389 -5.739 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 54 1.365 -7.485 -2.118 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -0.870 -8.149 -0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 54 0.619 -9.116 -0.191 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.137 -8.405 1.368 1.00 0.00 H new ATOM 859 N LEU A 55 3.264 -4.811 0.877 1.00 0.00 N ATOM 860 CA LEU A 55 4.059 -3.579 0.676 1.00 0.00 C ATOM 861 C LEU A 55 5.564 -3.854 0.562 1.00 0.00 C ATOM 862 O LEU A 55 6.232 -3.195 -0.231 1.00 0.00 O ATOM 863 CB LEU A 55 3.782 -2.559 1.816 1.00 0.00 C ATOM 864 CG LEU A 55 2.424 -1.802 1.719 1.00 0.00 C ATOM 865 CD1 LEU A 55 2.034 -1.201 3.074 1.00 0.00 C ATOM 866 CD2 LEU A 55 2.484 -0.714 0.630 1.00 0.00 C ATOM 0 H LEU A 55 2.693 -4.788 1.722 1.00 0.00 H new ATOM 0 HA LEU A 55 3.741 -3.153 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.817 -3.087 2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.588 -1.825 1.828 1.00 0.00 H new ATOM 0 HG LEU A 55 1.654 -2.521 1.438 1.00 0.00 H new ATOM 0 HD11 LEU A 55 1.082 -0.678 2.980 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.938 -1.998 3.812 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.803 -0.499 3.396 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.526 -0.197 0.579 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.269 0.002 0.873 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.700 -1.175 -0.334 1.00 0.00 H new ATOM 878 N TYR A 56 6.110 -4.817 1.338 1.00 0.00 N ATOM 879 CA TYR A 56 7.541 -5.160 1.259 1.00 0.00 C ATOM 880 C TYR A 56 7.868 -5.868 -0.067 1.00 0.00 C ATOM 881 O TYR A 56 8.961 -5.677 -0.623 1.00 0.00 O ATOM 882 CB TYR A 56 7.961 -6.054 2.457 1.00 0.00 C ATOM 883 CG TYR A 56 7.857 -5.359 3.824 1.00 0.00 C ATOM 884 CD1 TYR A 56 8.708 -4.301 4.148 1.00 0.00 C ATOM 885 CD2 TYR A 56 6.923 -5.756 4.787 1.00 0.00 C ATOM 886 CE1 TYR A 56 8.629 -3.668 5.371 1.00 0.00 C ATOM 887 CE2 TYR A 56 6.844 -5.120 6.009 1.00 0.00 C ATOM 888 CZ TYR A 56 7.699 -4.079 6.292 1.00 0.00 C ATOM 889 OH TYR A 56 7.617 -3.436 7.505 1.00 0.00 O ATOM 0 H TYR A 56 5.584 -5.364 2.019 1.00 0.00 H new ATOM 0 HA TYR A 56 8.107 -4.229 1.302 1.00 0.00 H new ATOM 0 HB2 TYR A 56 7.336 -6.947 2.467 1.00 0.00 H new ATOM 0 HB3 TYR A 56 8.989 -6.385 2.307 1.00 0.00 H new ATOM 0 HD1 TYR A 56 9.442 -3.972 3.428 1.00 0.00 H new ATOM 0 HD2 TYR A 56 6.252 -6.574 4.570 1.00 0.00 H new ATOM 0 HE1 TYR A 56 9.297 -2.852 5.603 1.00 0.00 H new ATOM 0 HE2 TYR A 56 6.115 -5.437 6.740 1.00 0.00 H new ATOM 0 HH TYR A 56 6.908 -3.845 8.045 1.00 0.00 H new ATOM 899 N ARG A 57 6.908 -6.659 -0.579 1.00 0.00 N ATOM 900 CA ARG A 57 7.066 -7.381 -1.849 1.00 0.00 C ATOM 901 C ARG A 57 7.038 -6.377 -3.021 1.00 0.00 C ATOM 902 O ARG A 57 7.918 -6.393 -3.891 1.00 0.00 O ATOM 903 CB ARG A 57 5.941 -8.447 -2.007 1.00 0.00 C ATOM 904 CG ARG A 57 6.118 -9.361 -3.235 1.00 0.00 C ATOM 905 CD ARG A 57 5.054 -10.462 -3.357 1.00 0.00 C ATOM 906 NE ARG A 57 5.346 -11.349 -4.504 1.00 0.00 N ATOM 907 CZ ARG A 57 5.051 -12.657 -4.572 1.00 0.00 C ATOM 908 NH1 ARG A 57 4.442 -13.284 -3.561 1.00 0.00 N ATOM 909 NH2 ARG A 57 5.396 -13.342 -5.657 1.00 0.00 N ATOM 0 H ARG A 57 6.007 -6.813 -0.126 1.00 0.00 H new ATOM 0 HA ARG A 57 8.025 -7.899 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 57 5.909 -9.063 -1.109 1.00 0.00 H new ATOM 0 HB3 ARG A 57 4.979 -7.939 -2.080 1.00 0.00 H new ATOM 0 HG2 ARG A 57 6.096 -8.748 -4.136 1.00 0.00 H new ATOM 0 HG3 ARG A 57 7.103 -9.826 -3.189 1.00 0.00 H new ATOM 0 HD2 ARG A 57 5.022 -11.047 -2.438 1.00 0.00 H new ATOM 0 HD3 ARG A 57 4.070 -10.011 -3.482 1.00 0.00 H new ATOM 0 HE ARG A 57 5.810 -10.932 -5.311 1.00 0.00 H new ATOM 0 HH11 ARG A 57 4.192 -12.768 -2.717 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.227 -14.278 -3.633 1.00 0.00 H new ATOM 0 HH21 ARG A 57 5.878 -12.873 -6.424 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.179 -14.336 -5.723 1.00 0.00 H new ATOM 923 N MET A 58 6.031 -5.482 -3.000 1.00 0.00 N ATOM 924 CA MET A 58 5.856 -4.422 -4.004 1.00 0.00 C ATOM 925 C MET A 58 7.015 -3.414 -3.973 1.00 0.00 C ATOM 926 O MET A 58 7.323 -2.805 -4.990 1.00 0.00 O ATOM 927 CB MET A 58 4.515 -3.673 -3.790 1.00 0.00 C ATOM 928 CG MET A 58 3.257 -4.516 -3.991 1.00 0.00 C ATOM 929 SD MET A 58 1.759 -3.507 -3.972 1.00 0.00 S ATOM 930 CE MET A 58 1.753 -2.888 -2.299 1.00 0.00 C ATOM 0 H MET A 58 5.311 -5.477 -2.277 1.00 0.00 H new ATOM 0 HA MET A 58 5.846 -4.907 -4.980 1.00 0.00 H new ATOM 0 HB2 MET A 58 4.502 -3.267 -2.779 1.00 0.00 H new ATOM 0 HB3 MET A 58 4.478 -2.826 -4.475 1.00 0.00 H new ATOM 0 HG2 MET A 58 3.324 -5.048 -4.940 1.00 0.00 H new ATOM 0 HG3 MET A 58 3.196 -5.270 -3.207 1.00 0.00 H new ATOM 0 HE1 MET A 58 0.901 -2.222 -2.160 1.00 0.00 H new ATOM 0 HE2 MET A 58 1.678 -3.723 -1.602 1.00 0.00 H new ATOM 0 HE3 MET A 58 2.676 -2.340 -2.110 1.00 0.00 H new ATOM 940 N LYS A 59 7.634 -3.230 -2.794 1.00 0.00 N ATOM 941 CA LYS A 59 8.823 -2.372 -2.635 1.00 0.00 C ATOM 942 C LYS A 59 10.005 -2.930 -3.448 1.00 0.00 C ATOM 943 O LYS A 59 10.734 -2.173 -4.103 1.00 0.00 O ATOM 944 CB LYS A 59 9.198 -2.251 -1.136 1.00 0.00 C ATOM 945 CG LYS A 59 10.332 -1.246 -0.833 1.00 0.00 C ATOM 946 CD LYS A 59 10.730 -1.241 0.662 1.00 0.00 C ATOM 947 CE LYS A 59 11.859 -0.246 0.967 1.00 0.00 C ATOM 948 NZ LYS A 59 12.321 -0.340 2.377 1.00 0.00 N ATOM 0 H LYS A 59 7.326 -3.670 -1.927 1.00 0.00 H new ATOM 0 HA LYS A 59 8.589 -1.378 -3.015 1.00 0.00 H new ATOM 0 HB2 LYS A 59 8.310 -1.956 -0.576 1.00 0.00 H new ATOM 0 HB3 LYS A 59 9.494 -3.234 -0.769 1.00 0.00 H new ATOM 0 HG2 LYS A 59 11.204 -1.493 -1.438 1.00 0.00 H new ATOM 0 HG3 LYS A 59 10.015 -0.245 -1.125 1.00 0.00 H new ATOM 0 HD2 LYS A 59 9.858 -0.992 1.266 1.00 0.00 H new ATOM 0 HD3 LYS A 59 11.044 -2.243 0.954 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.698 -0.434 0.298 1.00 0.00 H new ATOM 0 HE3 LYS A 59 11.512 0.768 0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 13.083 0.349 2.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.527 -0.135 3.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.676 -1.300 2.563 1.00 0.00 H new ATOM 962 N LYS A 60 10.166 -4.271 -3.422 1.00 0.00 N ATOM 963 CA LYS A 60 11.194 -4.978 -4.208 1.00 0.00 C ATOM 964 C LYS A 60 10.846 -4.971 -5.717 1.00 0.00 C ATOM 965 O LYS A 60 11.732 -5.081 -6.569 1.00 0.00 O ATOM 966 CB LYS A 60 11.376 -6.429 -3.680 1.00 0.00 C ATOM 967 CG LYS A 60 12.629 -7.145 -4.239 1.00 0.00 C ATOM 968 CD LYS A 60 12.842 -8.577 -3.693 1.00 0.00 C ATOM 969 CE LYS A 60 11.733 -9.556 -4.107 1.00 0.00 C ATOM 970 NZ LYS A 60 12.055 -10.963 -3.738 1.00 0.00 N ATOM 0 H LYS A 60 9.587 -4.891 -2.856 1.00 0.00 H new ATOM 0 HA LYS A 60 12.140 -4.450 -4.088 1.00 0.00 H new ATOM 0 HB2 LYS A 60 11.438 -6.405 -2.592 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.491 -7.012 -3.936 1.00 0.00 H new ATOM 0 HG2 LYS A 60 12.552 -7.191 -5.325 1.00 0.00 H new ATOM 0 HG3 LYS A 60 13.509 -6.546 -4.007 1.00 0.00 H new ATOM 0 HD2 LYS A 60 13.801 -8.955 -4.047 1.00 0.00 H new ATOM 0 HD3 LYS A 60 12.896 -8.539 -2.605 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.797 -9.263 -3.632 1.00 0.00 H new ATOM 0 HE3 LYS A 60 11.578 -9.491 -5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.278 -11.587 -4.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 12.934 -11.254 -4.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 12.177 -11.032 -2.708 1.00 0.00 H new ATOM 984 N GLU A 61 9.537 -4.847 -6.038 1.00 0.00 N ATOM 985 CA GLU A 61 9.054 -4.655 -7.428 1.00 0.00 C ATOM 986 C GLU A 61 9.081 -3.167 -7.840 1.00 0.00 C ATOM 987 O GLU A 61 8.717 -2.843 -8.969 1.00 0.00 O ATOM 988 CB GLU A 61 7.612 -5.204 -7.576 1.00 0.00 C ATOM 989 CG GLU A 61 7.450 -6.697 -7.269 1.00 0.00 C ATOM 990 CD GLU A 61 8.316 -7.612 -8.162 1.00 0.00 C ATOM 991 OE1 GLU A 61 7.879 -7.959 -9.280 1.00 0.00 O ATOM 992 OE2 GLU A 61 9.431 -7.995 -7.742 1.00 0.00 O ATOM 0 H GLU A 61 8.789 -4.877 -5.346 1.00 0.00 H new ATOM 0 HA GLU A 61 9.727 -5.205 -8.086 1.00 0.00 H new ATOM 0 HB2 GLU A 61 6.955 -4.639 -6.914 1.00 0.00 H new ATOM 0 HB3 GLU A 61 7.272 -5.020 -8.595 1.00 0.00 H new ATOM 0 HG2 GLU A 61 7.707 -6.874 -6.225 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.402 -6.972 -7.390 1.00 0.00 H new ATOM 999 N LEU A 62 9.475 -2.281 -6.889 1.00 0.00 N ATOM 1000 CA LEU A 62 9.597 -0.809 -7.092 1.00 0.00 C ATOM 1001 C LEU A 62 8.223 -0.128 -7.340 1.00 0.00 C ATOM 1002 O LEU A 62 8.160 1.014 -7.816 1.00 0.00 O ATOM 1003 CB LEU A 62 10.636 -0.449 -8.220 1.00 0.00 C ATOM 1004 CG LEU A 62 12.154 -0.779 -7.945 1.00 0.00 C ATOM 1005 CD1 LEU A 62 12.624 -0.245 -6.570 1.00 0.00 C ATOM 1006 CD2 LEU A 62 12.477 -2.282 -8.107 1.00 0.00 C ATOM 0 H LEU A 62 9.721 -2.572 -5.943 1.00 0.00 H new ATOM 0 HA LEU A 62 9.985 -0.404 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 62 10.338 -0.970 -9.130 1.00 0.00 H new ATOM 0 HB3 LEU A 62 10.555 0.619 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 62 12.721 -0.252 -8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 62 13.675 -0.495 -6.423 1.00 0.00 H new ATOM 0 HD12 LEU A 62 12.500 0.837 -6.538 1.00 0.00 H new ATOM 0 HD13 LEU A 62 12.028 -0.701 -5.779 1.00 0.00 H new ATOM 0 HD21 LEU A 62 13.535 -2.451 -7.906 1.00 0.00 H new ATOM 0 HD22 LEU A 62 11.877 -2.861 -7.404 1.00 0.00 H new ATOM 0 HD23 LEU A 62 12.247 -2.596 -9.125 1.00 0.00 H new ATOM 1018 N LYS A 63 7.134 -0.837 -6.993 1.00 0.00 N ATOM 1019 CA LYS A 63 5.756 -0.322 -7.069 1.00 0.00 C ATOM 1020 C LYS A 63 5.489 0.700 -5.956 1.00 0.00 C ATOM 1021 O LYS A 63 4.775 1.692 -6.158 1.00 0.00 O ATOM 1022 CB LYS A 63 4.748 -1.483 -6.945 1.00 0.00 C ATOM 1023 CG LYS A 63 4.872 -2.561 -8.029 1.00 0.00 C ATOM 1024 CD LYS A 63 3.874 -3.722 -7.815 1.00 0.00 C ATOM 1025 CE LYS A 63 4.016 -4.809 -8.880 1.00 0.00 C ATOM 1026 NZ LYS A 63 3.149 -5.982 -8.607 1.00 0.00 N ATOM 0 H LYS A 63 7.187 -1.795 -6.648 1.00 0.00 H new ATOM 0 HA LYS A 63 5.634 0.169 -8.034 1.00 0.00 H new ATOM 0 HB2 LYS A 63 4.874 -1.952 -5.969 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.738 -1.073 -6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 63 4.700 -2.112 -9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 63 5.889 -2.954 -8.033 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.033 -4.159 -6.829 1.00 0.00 H new ATOM 0 HD3 LYS A 63 2.856 -3.332 -7.830 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.765 -4.393 -9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.056 -5.132 -8.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.455 -6.784 -9.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 3.221 -6.241 -7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 2.162 -5.744 -8.833 1.00 0.00 H new ATOM 1040 N VAL A 64 6.040 0.420 -4.759 1.00 0.00 N ATOM 1041 CA VAL A 64 5.903 1.295 -3.573 1.00 0.00 C ATOM 1042 C VAL A 64 7.290 1.617 -2.989 1.00 0.00 C ATOM 1043 O VAL A 64 8.289 0.957 -3.310 1.00 0.00 O ATOM 1044 CB VAL A 64 4.979 0.666 -2.459 1.00 0.00 C ATOM 1045 CG1 VAL A 64 3.590 0.308 -3.013 1.00 0.00 C ATOM 1046 CG2 VAL A 64 5.626 -0.557 -1.793 1.00 0.00 C ATOM 0 H VAL A 64 6.593 -0.419 -4.585 1.00 0.00 H new ATOM 0 HA VAL A 64 5.422 2.214 -3.908 1.00 0.00 H new ATOM 0 HB VAL A 64 4.853 1.431 -1.692 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.981 -0.123 -2.218 1.00 0.00 H new ATOM 0 HG12 VAL A 64 3.107 1.208 -3.393 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.696 -0.416 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 64 4.954 -0.956 -1.033 1.00 0.00 H new ATOM 0 HG22 VAL A 64 5.818 -1.322 -2.545 1.00 0.00 H new ATOM 0 HG23 VAL A 64 6.566 -0.263 -1.327 1.00 0.00 H new ATOM 1056 N SER A 65 7.335 2.639 -2.132 1.00 0.00 N ATOM 1057 CA SER A 65 8.550 3.047 -1.413 1.00 0.00 C ATOM 1058 C SER A 65 8.154 3.542 -0.015 1.00 0.00 C ATOM 1059 O SER A 65 7.053 4.063 0.172 1.00 0.00 O ATOM 1060 CB SER A 65 9.295 4.158 -2.198 1.00 0.00 C ATOM 1061 OG SER A 65 9.647 3.737 -3.512 1.00 0.00 O ATOM 0 H SER A 65 6.522 3.215 -1.913 1.00 0.00 H new ATOM 0 HA SER A 65 9.225 2.197 -1.318 1.00 0.00 H new ATOM 0 HB2 SER A 65 8.664 5.045 -2.258 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.196 4.444 -1.655 1.00 0.00 H new ATOM 0 HG SER A 65 10.113 4.464 -3.975 1.00 0.00 H new ATOM 1067 N LEU A 66 9.064 3.403 0.952 1.00 0.00 N ATOM 1068 CA LEU A 66 8.828 3.802 2.350 1.00 0.00 C ATOM 1069 C LEU A 66 9.413 5.220 2.537 1.00 0.00 C ATOM 1070 O LEU A 66 10.631 5.385 2.653 1.00 0.00 O ATOM 1071 CB LEU A 66 9.514 2.792 3.313 1.00 0.00 C ATOM 1072 CG LEU A 66 9.336 3.070 4.843 1.00 0.00 C ATOM 1073 CD1 LEU A 66 7.899 2.768 5.320 1.00 0.00 C ATOM 1074 CD2 LEU A 66 10.378 2.297 5.669 1.00 0.00 C ATOM 0 H LEU A 66 9.991 3.009 0.791 1.00 0.00 H new ATOM 0 HA LEU A 66 7.762 3.805 2.577 1.00 0.00 H new ATOM 0 HB2 LEU A 66 9.127 1.796 3.098 1.00 0.00 H new ATOM 0 HB3 LEU A 66 10.581 2.775 3.089 1.00 0.00 H new ATOM 0 HG LEU A 66 9.506 4.135 5.003 1.00 0.00 H new ATOM 0 HD11 LEU A 66 7.819 2.974 6.387 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.195 3.397 4.775 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.667 1.719 5.135 1.00 0.00 H new ATOM 0 HD21 LEU A 66 10.232 2.508 6.728 1.00 0.00 H new ATOM 0 HD22 LEU A 66 10.262 1.228 5.493 1.00 0.00 H new ATOM 0 HD23 LEU A 66 11.380 2.607 5.372 1.00 0.00 H new ATOM 1086 N THR A 67 8.540 6.233 2.533 1.00 0.00 N ATOM 1087 CA THR A 67 8.940 7.657 2.562 1.00 0.00 C ATOM 1088 C THR A 67 9.191 8.147 4.006 1.00 0.00 C ATOM 1089 O THR A 67 10.156 8.867 4.273 1.00 0.00 O ATOM 1090 CB THR A 67 7.842 8.527 1.866 1.00 0.00 C ATOM 1091 OG1 THR A 67 6.549 8.179 2.400 1.00 0.00 O ATOM 1092 CG2 THR A 67 7.830 8.337 0.339 1.00 0.00 C ATOM 0 H THR A 67 7.530 6.095 2.510 1.00 0.00 H new ATOM 0 HA THR A 67 9.879 7.760 2.017 1.00 0.00 H new ATOM 0 HB THR A 67 8.072 9.573 2.067 1.00 0.00 H new ATOM 0 HG1 THR A 67 6.211 8.919 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 67 7.051 8.961 -0.099 1.00 0.00 H new ATOM 0 HG22 THR A 67 8.798 8.624 -0.071 1.00 0.00 H new ATOM 0 HG23 THR A 67 7.632 7.291 0.104 1.00 0.00 H new ATOM 1100 N SER A 68 8.317 7.735 4.930 1.00 0.00 N ATOM 1101 CA SER A 68 8.417 8.077 6.368 1.00 0.00 C ATOM 1102 C SER A 68 8.165 6.809 7.224 1.00 0.00 C ATOM 1103 O SER A 68 7.764 5.789 6.663 1.00 0.00 O ATOM 1104 CB SER A 68 7.405 9.214 6.689 1.00 0.00 C ATOM 1105 OG SER A 68 7.673 10.370 5.907 1.00 0.00 O ATOM 0 H SER A 68 7.511 7.150 4.708 1.00 0.00 H new ATOM 0 HA SER A 68 9.417 8.438 6.609 1.00 0.00 H new ATOM 0 HB2 SER A 68 6.390 8.867 6.496 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.460 9.466 7.748 1.00 0.00 H new ATOM 0 HG SER A 68 7.023 11.070 6.125 1.00 0.00 H new ATOM 1111 N PRO A 69 8.455 6.824 8.581 1.00 0.00 N ATOM 1112 CA PRO A 69 8.137 5.686 9.492 1.00 0.00 C ATOM 1113 C PRO A 69 6.674 5.199 9.358 1.00 0.00 C ATOM 1114 O PRO A 69 5.734 5.930 9.706 1.00 0.00 O ATOM 1115 CB PRO A 69 8.419 6.269 10.901 1.00 0.00 C ATOM 1116 CG PRO A 69 9.495 7.295 10.667 1.00 0.00 C ATOM 1117 CD PRO A 69 9.181 7.912 9.317 1.00 0.00 C ATOM 0 HA PRO A 69 8.729 4.799 9.265 1.00 0.00 H new ATOM 0 HB2 PRO A 69 7.525 6.720 11.332 1.00 0.00 H new ATOM 0 HB3 PRO A 69 8.750 5.495 11.593 1.00 0.00 H new ATOM 0 HG2 PRO A 69 9.495 8.050 11.453 1.00 0.00 H new ATOM 0 HG3 PRO A 69 10.483 6.835 10.668 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.564 8.805 9.420 1.00 0.00 H new ATOM 0 HD3 PRO A 69 10.089 8.211 8.794 1.00 0.00 H new ATOM 1125 N ALA A 70 6.516 3.976 8.800 1.00 0.00 N ATOM 1126 CA ALA A 70 5.211 3.325 8.535 1.00 0.00 C ATOM 1127 C ALA A 70 4.362 4.142 7.543 1.00 0.00 C ATOM 1128 O ALA A 70 3.144 4.178 7.639 1.00 0.00 O ATOM 1129 CB ALA A 70 4.451 3.045 9.856 1.00 0.00 C ATOM 0 H ALA A 70 7.309 3.402 8.515 1.00 0.00 H new ATOM 0 HA ALA A 70 5.408 2.363 8.063 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.497 2.567 9.633 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.048 2.386 10.487 1.00 0.00 H new ATOM 0 HB3 ALA A 70 4.273 3.984 10.379 1.00 0.00 H new ATOM 1135 N THR A 71 5.030 4.800 6.593 1.00 0.00 N ATOM 1136 CA THR A 71 4.374 5.602 5.555 1.00 0.00 C ATOM 1137 C THR A 71 4.927 5.185 4.195 1.00 0.00 C ATOM 1138 O THR A 71 6.137 5.277 3.951 1.00 0.00 O ATOM 1139 CB THR A 71 4.603 7.121 5.792 1.00 0.00 C ATOM 1140 OG1 THR A 71 4.164 7.464 7.114 1.00 0.00 O ATOM 1141 CG2 THR A 71 3.865 7.998 4.760 1.00 0.00 C ATOM 0 H THR A 71 6.047 4.792 6.521 1.00 0.00 H new ATOM 0 HA THR A 71 3.299 5.425 5.590 1.00 0.00 H new ATOM 0 HB THR A 71 5.669 7.315 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 71 4.308 8.421 7.269 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.059 9.050 4.971 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.220 7.758 3.758 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.794 7.807 4.820 1.00 0.00 H new ATOM 1149 N TRP A 72 4.027 4.746 3.321 1.00 0.00 N ATOM 1150 CA TRP A 72 4.357 4.183 2.009 1.00 0.00 C ATOM 1151 C TRP A 72 3.726 5.068 0.934 1.00 0.00 C ATOM 1152 O TRP A 72 2.619 5.569 1.113 1.00 0.00 O ATOM 1153 CB TRP A 72 3.812 2.736 1.900 1.00 0.00 C ATOM 1154 CG TRP A 72 4.386 1.785 2.928 1.00 0.00 C ATOM 1155 CD1 TRP A 72 3.989 1.631 4.236 1.00 0.00 C ATOM 1156 CD2 TRP A 72 5.466 0.867 2.732 1.00 0.00 C ATOM 1157 NE1 TRP A 72 4.746 0.663 4.845 1.00 0.00 N ATOM 1158 CE2 TRP A 72 5.657 0.176 3.943 1.00 0.00 C ATOM 1159 CE3 TRP A 72 6.279 0.552 1.640 1.00 0.00 C ATOM 1160 CZ2 TRP A 72 6.637 -0.799 4.093 1.00 0.00 C ATOM 1161 CZ3 TRP A 72 7.246 -0.415 1.790 1.00 0.00 C ATOM 1162 CH2 TRP A 72 7.415 -1.087 3.004 1.00 0.00 C ATOM 0 H TRP A 72 3.024 4.771 3.506 1.00 0.00 H new ATOM 0 HA TRP A 72 5.438 4.151 1.876 1.00 0.00 H new ATOM 0 HB2 TRP A 72 2.727 2.758 2.006 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.028 2.351 0.903 1.00 0.00 H new ATOM 0 HD1 TRP A 72 3.198 2.190 4.713 1.00 0.00 H new ATOM 0 HE1 TRP A 72 4.647 0.355 5.812 1.00 0.00 H new ATOM 0 HE3 TRP A 72 6.150 1.059 0.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 6.779 -1.310 5.034 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 7.886 -0.659 0.955 1.00 0.00 H new ATOM 0 HH2 TRP A 72 8.175 -1.850 3.085 1.00 0.00 H new ATOM 1173 N CYS A 73 4.428 5.256 -0.175 1.00 0.00 N ATOM 1174 CA CYS A 73 3.966 6.087 -1.290 1.00 0.00 C ATOM 1175 C CYS A 73 4.116 5.298 -2.587 1.00 0.00 C ATOM 1176 O CYS A 73 4.806 4.269 -2.616 1.00 0.00 O ATOM 1177 CB CYS A 73 4.783 7.389 -1.334 1.00 0.00 C ATOM 1178 SG CYS A 73 4.158 8.631 -2.482 1.00 0.00 S ATOM 0 H CYS A 73 5.343 4.834 -0.332 1.00 0.00 H new ATOM 0 HA CYS A 73 2.917 6.351 -1.159 1.00 0.00 H new ATOM 0 HB2 CYS A 73 4.809 7.820 -0.333 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.811 7.148 -1.605 1.00 0.00 H new ATOM 0 HG CYS A 73 4.918 9.685 -2.437 1.00 0.00 H new ATOM 1184 N LEU A 74 3.474 5.787 -3.655 1.00 0.00 N ATOM 1185 CA LEU A 74 3.513 5.121 -4.957 1.00 0.00 C ATOM 1186 C LEU A 74 4.890 5.360 -5.596 1.00 0.00 C ATOM 1187 O LEU A 74 5.165 6.455 -6.109 1.00 0.00 O ATOM 1188 CB LEU A 74 2.376 5.643 -5.878 1.00 0.00 C ATOM 1189 CG LEU A 74 2.162 4.847 -7.202 1.00 0.00 C ATOM 1190 CD1 LEU A 74 1.724 3.394 -6.915 1.00 0.00 C ATOM 1191 CD2 LEU A 74 1.156 5.572 -8.112 1.00 0.00 C ATOM 0 H LEU A 74 2.921 6.644 -3.640 1.00 0.00 H new ATOM 0 HA LEU A 74 3.358 4.051 -4.823 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.443 5.633 -5.314 1.00 0.00 H new ATOM 0 HB3 LEU A 74 2.585 6.683 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 74 3.115 4.798 -7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.583 2.864 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.493 2.892 -6.328 1.00 0.00 H new ATOM 0 HD13 LEU A 74 0.787 3.400 -6.358 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.020 5.002 -9.031 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.200 5.664 -7.597 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.535 6.565 -8.354 1.00 0.00 H new ATOM 1203 N GLY A 75 5.744 4.329 -5.532 1.00 0.00 N ATOM 1204 CA GLY A 75 7.103 4.403 -6.058 1.00 0.00 C ATOM 1205 C GLY A 75 7.117 4.346 -7.577 1.00 0.00 C ATOM 1206 O GLY A 75 7.925 5.014 -8.230 1.00 0.00 O ATOM 0 H GLY A 75 5.509 3.428 -5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 75 7.574 5.327 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 75 7.695 3.580 -5.657 1.00 0.00 H new