USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 401 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 26 CYS SG : rot 120:sc= -0.474 USER MOD Set 1.2: A 29 CYS SG : rot -55:sc= -0.851 USER MOD Set 1.3: A 49 HIS :FLIP no HD1:sc= -1.78 F(o=-5.2,f=-4.6) USER MOD Set 1.4: A 52 CYS SG : rot 175:sc= -1.51! USER MOD Set 2.1: A 44 CYS SG : rot 102:sc= -0.794 USER MOD Set 2.2: A 46 HIS : no HD1:sc= -0.0956 K(o=-5.7,f=-6.8) USER MOD Set 2.3: A 63 CYS SG : rot 11:sc= -1.58 USER MOD Set 2.4: A 66 CYS SG : rot -39:sc= -3.27! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 46:sc= 0.315 USER MOD Single : A 30 MET CE :methyl -115:sc= -3.71! (180deg=-6.68!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 46:sc= 0.00903 USER MOD Single : A 37 GLN : amide:sc= -2.49! C(o=-2.5!,f=-3.2!) USER MOD Single : A 45 ASN : amide:sc= -0.323 X(o=-0.32,f=-0.56) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.0383 X(o=-0.038,f=-0.038) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.152 3.168 5.707 1.00 0.00 N ATOM 128 CA TYR A 12 -9.546 4.536 6.021 1.00 0.00 C ATOM 129 C TYR A 12 -8.498 5.531 5.533 1.00 0.00 C ATOM 130 O TYR A 12 -7.312 5.211 5.451 1.00 0.00 O ATOM 131 CB TYR A 12 -9.755 4.696 7.528 1.00 0.00 C ATOM 132 CG TYR A 12 -8.466 4.835 8.306 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.676 5.972 8.181 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.037 3.831 9.165 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.497 6.104 8.889 1.00 0.00 C ATOM 136 CE2 TYR A 12 -6.861 3.956 9.878 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.094 5.093 9.737 1.00 0.00 C ATOM 138 OH TYR A 12 -4.921 5.220 10.444 1.00 0.00 O ATOM 0 HA TYR A 12 -10.484 4.743 5.507 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.376 5.574 7.709 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.305 3.833 7.904 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -7.989 6.766 7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.633 2.938 9.277 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.894 6.993 8.779 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.543 3.167 10.543 1.00 0.00 H new ATOM 0 HH TYR A 12 -4.783 4.422 10.995 1.00 0.00 H new ATOM 148 N ARG A 13 -8.946 6.740 5.210 1.00 0.00 N ATOM 149 CA ARG A 13 -8.048 7.784 4.729 1.00 0.00 C ATOM 150 C ARG A 13 -7.442 8.560 5.895 1.00 0.00 C ATOM 151 O ARG A 13 -8.157 9.016 6.788 1.00 0.00 O ATOM 152 CB ARG A 13 -8.795 8.741 3.799 1.00 0.00 C ATOM 153 CG ARG A 13 -8.930 8.225 2.375 1.00 0.00 C ATOM 154 CD ARG A 13 -10.212 7.427 2.191 1.00 0.00 C ATOM 155 NE ARG A 13 -11.402 8.253 2.371 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.584 7.965 1.838 1.00 0.00 C ATOM 157 NH1 ARG A 13 -12.733 6.876 1.096 1.00 0.00 N ATOM 158 NH2 ARG A 13 -13.621 8.767 2.047 1.00 0.00 N ATOM 0 H ARG A 13 -9.925 7.021 5.273 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.241 7.306 4.174 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.789 8.927 4.205 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.274 9.698 3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.920 9.065 1.680 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -8.072 7.599 2.131 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.224 6.986 1.194 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.232 6.603 2.904 1.00 0.00 H new ATOM 0 HE ARG A 13 -11.321 9.098 2.937 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.939 6.257 0.933 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.642 6.657 0.688 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -13.511 9.605 2.617 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.528 8.545 1.637 1.00 0.00 H new ATOM 172 N PHE A 14 -6.122 8.705 5.880 1.00 0.00 N ATOM 173 CA PHE A 14 -5.420 9.424 6.937 1.00 0.00 C ATOM 174 C PHE A 14 -6.101 10.757 7.233 1.00 0.00 C ATOM 175 O PHE A 14 -6.766 11.331 6.372 1.00 0.00 O ATOM 176 CB PHE A 14 -3.961 9.662 6.539 1.00 0.00 C ATOM 177 CG PHE A 14 -3.257 10.662 7.412 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.427 12.021 7.206 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.426 10.242 8.437 1.00 0.00 C ATOM 180 CE1 PHE A 14 -2.781 12.944 8.007 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.778 11.160 9.242 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.955 12.512 9.026 1.00 0.00 C ATOM 0 H PHE A 14 -5.516 8.334 5.148 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.449 8.813 7.839 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.423 8.715 6.578 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.926 10.006 5.505 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.072 12.364 6.410 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.283 9.186 8.609 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.922 14.001 7.836 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.134 10.820 10.039 1.00 0.00 H new ATOM 0 HZ PHE A 14 -1.448 13.231 9.653 1.00 0.00 H new ATOM 326 N THR A 24 2.838 7.975 12.794 1.00 0.00 N ATOM 327 CA THR A 24 2.304 7.318 11.607 1.00 0.00 C ATOM 328 C THR A 24 3.339 7.279 10.488 1.00 0.00 C ATOM 329 O THR A 24 3.559 8.275 9.797 1.00 0.00 O ATOM 330 CB THR A 24 1.037 8.027 11.094 1.00 0.00 C ATOM 331 OG1 THR A 24 1.268 9.437 11.000 1.00 0.00 O ATOM 332 CG2 THR A 24 -0.143 7.762 12.018 1.00 0.00 C ATOM 0 HA THR A 24 2.048 6.299 11.898 1.00 0.00 H new ATOM 0 HB THR A 24 0.801 7.631 10.106 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.129 9.599 10.560 1.00 0.00 H new ATOM 0 HG21 THR A 24 -1.027 8.273 11.635 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.335 6.690 12.064 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.087 8.133 13.017 1.00 0.00 H new ATOM 340 N LEU A 25 3.972 6.125 10.314 1.00 0.00 N ATOM 341 CA LEU A 25 4.984 5.956 9.277 1.00 0.00 C ATOM 342 C LEU A 25 4.900 4.566 8.655 1.00 0.00 C ATOM 343 O LEU A 25 4.435 3.618 9.288 1.00 0.00 O ATOM 344 CB LEU A 25 6.381 6.183 9.858 1.00 0.00 C ATOM 345 CG LEU A 25 7.547 6.035 8.881 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.696 6.950 9.277 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.012 4.587 8.821 1.00 0.00 C ATOM 0 H LEU A 25 3.803 5.292 10.878 1.00 0.00 H new ATOM 0 HA LEU A 25 4.796 6.695 8.498 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.416 7.185 10.285 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.530 5.481 10.679 1.00 0.00 H new ATOM 0 HG LEU A 25 7.203 6.327 7.889 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.517 6.830 8.570 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.356 7.986 9.267 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.039 6.690 10.278 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.843 4.500 8.121 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.338 4.268 9.811 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.189 3.954 8.488 1.00 0.00 H new ATOM 359 N CYS A 26 5.355 4.451 7.412 1.00 0.00 N ATOM 360 CA CYS A 26 5.333 3.177 6.703 1.00 0.00 C ATOM 361 C CYS A 26 6.716 2.532 6.702 1.00 0.00 C ATOM 362 O CYS A 26 7.622 2.981 6.001 1.00 0.00 O ATOM 363 CB CYS A 26 4.850 3.377 5.265 1.00 0.00 C ATOM 364 SG CYS A 26 4.708 1.835 4.307 1.00 0.00 S ATOM 0 H CYS A 26 5.744 5.226 6.874 1.00 0.00 H new ATOM 0 HA CYS A 26 4.642 2.513 7.222 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.878 3.871 5.285 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.538 4.049 4.752 1.00 0.00 H new ATOM 0 HG CYS A 26 3.478 1.679 3.916 1.00 0.00 H new ATOM 369 N VAL A 27 6.870 1.474 7.493 1.00 0.00 N ATOM 370 CA VAL A 27 8.141 0.766 7.583 1.00 0.00 C ATOM 371 C VAL A 27 8.501 0.113 6.253 1.00 0.00 C ATOM 372 O VAL A 27 9.667 -0.183 5.989 1.00 0.00 O ATOM 373 CB VAL A 27 8.105 -0.315 8.679 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.639 -1.644 8.105 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.471 -0.457 9.332 1.00 0.00 C ATOM 0 H VAL A 27 6.130 1.089 8.080 1.00 0.00 H new ATOM 0 HA VAL A 27 8.899 1.507 7.838 1.00 0.00 H new ATOM 0 HB VAL A 27 7.392 -0.008 9.444 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.620 -2.395 8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.638 -1.530 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.324 -1.961 7.319 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.427 -1.225 10.104 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.206 -0.741 8.579 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.760 0.493 9.781 1.00 0.00 H new ATOM 385 N VAL A 28 7.492 -0.110 5.417 1.00 0.00 N ATOM 386 CA VAL A 28 7.702 -0.726 4.112 1.00 0.00 C ATOM 387 C VAL A 28 8.488 0.197 3.188 1.00 0.00 C ATOM 388 O VAL A 28 9.578 -0.147 2.729 1.00 0.00 O ATOM 389 CB VAL A 28 6.364 -1.088 3.441 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.601 -1.932 2.198 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.455 -1.813 4.422 1.00 0.00 C ATOM 0 H VAL A 28 6.521 0.127 5.620 1.00 0.00 H new ATOM 0 HA VAL A 28 8.274 -1.638 4.281 1.00 0.00 H new ATOM 0 HB VAL A 28 5.869 -0.166 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.644 -2.178 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.212 -1.373 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.117 -2.851 2.475 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.514 -2.061 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.941 -2.729 4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.258 -1.169 5.279 1.00 0.00 H new ATOM 401 N CYS A 29 7.929 1.371 2.918 1.00 0.00 N ATOM 402 CA CYS A 29 8.577 2.346 2.049 1.00 0.00 C ATOM 403 C CYS A 29 9.164 3.495 2.863 1.00 0.00 C ATOM 404 O CYS A 29 9.358 4.597 2.350 1.00 0.00 O ATOM 405 CB CYS A 29 7.578 2.890 1.025 1.00 0.00 C ATOM 406 SG CYS A 29 6.261 3.921 1.746 1.00 0.00 S ATOM 0 H CYS A 29 7.027 1.671 3.289 1.00 0.00 H new ATOM 0 HA CYS A 29 9.390 1.844 1.524 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.119 3.477 0.282 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.121 2.052 0.498 1.00 0.00 H new ATOM 0 HG CYS A 29 5.646 3.252 2.676 1.00 0.00 H new ATOM 411 N MET A 30 9.446 3.229 4.134 1.00 0.00 N ATOM 412 CA MET A 30 10.014 4.240 5.018 1.00 0.00 C ATOM 413 C MET A 30 9.483 5.627 4.669 1.00 0.00 C ATOM 414 O MET A 30 10.229 6.607 4.675 1.00 0.00 O ATOM 415 CB MET A 30 11.541 4.228 4.929 1.00 0.00 C ATOM 416 CG MET A 30 12.178 3.008 5.574 1.00 0.00 C ATOM 417 SD MET A 30 12.677 3.305 7.281 1.00 0.00 S ATOM 418 CE MET A 30 11.090 3.256 8.110 1.00 0.00 C ATOM 0 H MET A 30 9.291 2.322 4.575 1.00 0.00 H new ATOM 0 HA MET A 30 9.716 4.002 6.039 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.836 4.270 3.881 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.932 5.127 5.406 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.473 2.177 5.545 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.049 2.707 4.992 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.867 4.238 8.527 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.314 2.981 7.395 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.121 2.519 8.913 1.00 0.00 H new ATOM 428 N CYS A 31 8.192 5.703 4.364 1.00 0.00 N ATOM 429 CA CYS A 31 7.563 6.970 4.011 1.00 0.00 C ATOM 430 C CYS A 31 6.258 7.161 4.777 1.00 0.00 C ATOM 431 O CYS A 31 5.520 6.205 5.014 1.00 0.00 O ATOM 432 CB CYS A 31 7.298 7.030 2.506 1.00 0.00 C ATOM 433 SG CYS A 31 7.084 8.705 1.860 1.00 0.00 S ATOM 0 H CYS A 31 7.561 4.902 4.354 1.00 0.00 H new ATOM 0 HA CYS A 31 8.245 7.775 4.285 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.127 6.554 1.983 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.404 6.449 2.282 1.00 0.00 H new ATOM 0 HG CYS A 31 6.867 8.652 0.579 1.00 0.00 H new ATOM 439 N ASP A 32 5.981 8.402 5.163 1.00 0.00 N ATOM 440 CA ASP A 32 4.766 8.719 5.904 1.00 0.00 C ATOM 441 C ASP A 32 3.543 8.656 4.993 1.00 0.00 C ATOM 442 O ASP A 32 3.665 8.686 3.769 1.00 0.00 O ATOM 443 CB ASP A 32 4.875 10.107 6.535 1.00 0.00 C ATOM 444 CG ASP A 32 4.827 11.218 5.505 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.941 11.173 4.626 1.00 0.00 O ATOM 446 OD2 ASP A 32 5.676 12.131 5.576 1.00 0.00 O ATOM 0 H ASP A 32 6.582 9.205 4.975 1.00 0.00 H new ATOM 0 HA ASP A 32 4.648 7.978 6.694 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.063 10.243 7.249 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.807 10.176 7.096 1.00 0.00 H new ATOM 451 N PHE A 33 2.364 8.566 5.600 1.00 0.00 N ATOM 452 CA PHE A 33 1.119 8.496 4.844 1.00 0.00 C ATOM 453 C PHE A 33 0.488 9.879 4.706 1.00 0.00 C ATOM 454 O PHE A 33 0.540 10.691 5.630 1.00 0.00 O ATOM 455 CB PHE A 33 0.137 7.541 5.526 1.00 0.00 C ATOM 456 CG PHE A 33 0.804 6.381 6.207 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.075 5.214 5.511 1.00 0.00 C ATOM 458 CD2 PHE A 33 1.160 6.457 7.544 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.690 4.145 6.135 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.775 5.391 8.173 1.00 0.00 C ATOM 461 CZ PHE A 33 2.039 4.233 7.468 1.00 0.00 C ATOM 0 H PHE A 33 2.245 8.540 6.613 1.00 0.00 H new ATOM 0 HA PHE A 33 1.349 8.120 3.847 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.447 8.096 6.260 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.564 7.161 4.783 1.00 0.00 H new ATOM 0 HD1 PHE A 33 0.802 5.139 4.469 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.955 7.359 8.101 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.897 3.242 5.580 1.00 0.00 H new ATOM 0 HE2 PHE A 33 2.049 5.463 9.215 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.517 3.398 7.958 1.00 0.00 H new ATOM 471 N GLU A 34 -0.106 10.139 3.546 1.00 0.00 N ATOM 472 CA GLU A 34 -0.745 11.423 3.286 1.00 0.00 C ATOM 473 C GLU A 34 -2.253 11.334 3.503 1.00 0.00 C ATOM 474 O GLU A 34 -2.812 10.243 3.615 1.00 0.00 O ATOM 475 CB GLU A 34 -0.451 11.885 1.858 1.00 0.00 C ATOM 476 CG GLU A 34 0.965 12.401 1.665 1.00 0.00 C ATOM 477 CD GLU A 34 1.982 11.283 1.540 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.594 10.172 1.122 1.00 0.00 O ATOM 479 OE2 GLU A 34 3.166 11.520 1.860 1.00 0.00 O ATOM 0 H GLU A 34 -0.158 9.477 2.771 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.336 12.151 3.987 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.622 11.054 1.174 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.155 12.671 1.587 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.002 13.023 0.770 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.233 13.038 2.507 1.00 0.00 H new ATOM 486 N SER A 35 -2.906 12.491 3.561 1.00 0.00 N ATOM 487 CA SER A 35 -4.348 12.545 3.769 1.00 0.00 C ATOM 488 C SER A 35 -5.095 12.137 2.502 1.00 0.00 C ATOM 489 O SER A 35 -4.583 12.282 1.393 1.00 0.00 O ATOM 490 CB SER A 35 -4.772 13.952 4.194 1.00 0.00 C ATOM 491 OG SER A 35 -6.157 14.001 4.488 1.00 0.00 O ATOM 0 H SER A 35 -2.459 13.403 3.467 1.00 0.00 H new ATOM 0 HA SER A 35 -4.602 11.842 4.563 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.200 14.258 5.070 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.541 14.661 3.399 1.00 0.00 H new ATOM 0 HG SER A 35 -6.401 13.232 5.045 1.00 0.00 H new ATOM 497 N ARG A 36 -6.310 11.626 2.678 1.00 0.00 N ATOM 498 CA ARG A 36 -7.127 11.196 1.550 1.00 0.00 C ATOM 499 C ARG A 36 -6.443 10.070 0.780 1.00 0.00 C ATOM 500 O ARG A 36 -6.484 10.032 -0.449 1.00 0.00 O ATOM 501 CB ARG A 36 -7.403 12.374 0.614 1.00 0.00 C ATOM 502 CG ARG A 36 -8.430 13.355 1.154 1.00 0.00 C ATOM 503 CD ARG A 36 -8.701 14.480 0.167 1.00 0.00 C ATOM 504 NE ARG A 36 -9.376 15.611 0.798 1.00 0.00 N ATOM 505 CZ ARG A 36 -10.637 15.575 1.212 1.00 0.00 C ATOM 506 NH1 ARG A 36 -11.357 14.471 1.064 1.00 0.00 N ATOM 507 NH2 ARG A 36 -11.182 16.646 1.777 1.00 0.00 N ATOM 0 H ARG A 36 -6.749 11.500 3.590 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.073 10.822 1.941 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.469 12.905 0.427 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.749 11.991 -0.346 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.359 12.828 1.370 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.075 13.774 2.096 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.759 14.816 -0.267 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.313 14.104 -0.652 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.850 16.475 0.928 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -10.942 13.646 0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -12.325 14.447 1.383 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -10.632 17.497 1.893 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -12.151 16.618 2.095 1.00 0.00 H new ATOM 521 N GLN A 37 -5.815 9.156 1.513 1.00 0.00 N ATOM 522 CA GLN A 37 -5.122 8.030 0.899 1.00 0.00 C ATOM 523 C GLN A 37 -5.526 6.716 1.558 1.00 0.00 C ATOM 524 O GLN A 37 -5.683 6.644 2.778 1.00 0.00 O ATOM 525 CB GLN A 37 -3.607 8.221 1.000 1.00 0.00 C ATOM 526 CG GLN A 37 -3.107 9.489 0.328 1.00 0.00 C ATOM 527 CD GLN A 37 -1.656 9.389 -0.101 1.00 0.00 C ATOM 528 OE1 GLN A 37 -0.831 8.796 0.594 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.337 9.969 -1.252 1.00 0.00 N ATOM 0 H GLN A 37 -5.772 9.173 2.532 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.407 7.990 -0.152 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -3.321 8.240 2.052 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -3.110 7.361 0.550 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.726 9.702 -0.544 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.222 10.329 1.013 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.053 10.450 -1.796 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.376 9.933 -1.592 1.00 0.00 H new ATOM 538 N LEU A 38 -5.695 5.679 0.745 1.00 0.00 N ATOM 539 CA LEU A 38 -6.082 4.366 1.249 1.00 0.00 C ATOM 540 C LEU A 38 -4.946 3.733 2.046 1.00 0.00 C ATOM 541 O LEU A 38 -3.992 3.203 1.475 1.00 0.00 O ATOM 542 CB LEU A 38 -6.480 3.450 0.091 1.00 0.00 C ATOM 543 CG LEU A 38 -7.514 2.371 0.414 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.860 3.001 0.738 1.00 0.00 C ATOM 545 CD2 LEU A 38 -7.646 1.394 -0.746 1.00 0.00 C ATOM 0 H LEU A 38 -5.570 5.722 -0.266 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.938 4.496 1.911 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.870 4.068 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.581 2.962 -0.286 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.173 1.820 1.291 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.583 2.218 0.965 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.755 3.660 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.207 3.578 -0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.386 0.633 -0.498 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.963 1.931 -1.640 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.684 0.917 -0.931 1.00 0.00 H new ATOM 557 N LEU A 39 -5.056 3.788 3.369 1.00 0.00 N ATOM 558 CA LEU A 39 -4.039 3.217 4.246 1.00 0.00 C ATOM 559 C LEU A 39 -4.593 2.025 5.019 1.00 0.00 C ATOM 560 O LEU A 39 -5.784 1.721 4.940 1.00 0.00 O ATOM 561 CB LEU A 39 -3.525 4.278 5.221 1.00 0.00 C ATOM 562 CG LEU A 39 -3.190 5.641 4.615 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.762 6.617 5.700 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.103 5.503 3.560 1.00 0.00 C ATOM 0 H LEU A 39 -5.839 4.222 3.858 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.212 2.871 3.626 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.276 4.423 5.998 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.631 3.891 5.710 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.086 6.034 4.135 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.528 7.582 5.250 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.572 6.739 6.419 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.879 6.230 6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.878 6.483 3.140 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.204 5.088 4.016 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.447 4.839 2.767 1.00 0.00 H new ATOM 576 N ARG A 40 -3.723 1.355 5.767 1.00 0.00 N ATOM 577 CA ARG A 40 -4.126 0.197 6.556 1.00 0.00 C ATOM 578 C ARG A 40 -3.463 0.217 7.930 1.00 0.00 C ATOM 579 O ARG A 40 -2.459 0.899 8.136 1.00 0.00 O ATOM 580 CB ARG A 40 -3.765 -1.096 5.823 1.00 0.00 C ATOM 581 CG ARG A 40 -4.769 -1.489 4.751 1.00 0.00 C ATOM 582 CD ARG A 40 -4.839 -2.998 4.580 1.00 0.00 C ATOM 583 NE ARG A 40 -6.141 -3.432 4.078 1.00 0.00 N ATOM 584 CZ ARG A 40 -6.506 -3.338 2.805 1.00 0.00 C ATOM 585 NH1 ARG A 40 -5.673 -2.828 1.909 1.00 0.00 N ATOM 586 NH2 ARG A 40 -7.708 -3.754 2.426 1.00 0.00 N ATOM 0 H ARG A 40 -2.734 1.594 5.843 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.207 0.240 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.783 -0.982 5.365 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.686 -1.905 6.549 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.754 -1.106 5.016 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.491 -1.027 3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.059 -3.321 3.891 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.640 -3.481 5.537 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.806 -3.829 4.742 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.749 -2.507 2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -5.956 -2.757 0.932 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.352 -4.146 3.113 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.988 -3.681 1.448 1.00 0.00 H new ATOM 600 N VAL A 41 -4.032 -0.534 8.867 1.00 0.00 N ATOM 601 CA VAL A 41 -3.497 -0.603 10.221 1.00 0.00 C ATOM 602 C VAL A 41 -3.432 -2.044 10.714 1.00 0.00 C ATOM 603 O VAL A 41 -4.462 -2.691 10.910 1.00 0.00 O ATOM 604 CB VAL A 41 -4.345 0.227 11.204 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.793 0.111 12.616 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.400 1.682 10.762 1.00 0.00 C ATOM 0 H VAL A 41 -4.864 -1.104 8.713 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.489 -0.189 10.184 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.361 -0.168 11.204 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.405 0.704 13.296 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.811 -0.933 12.929 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.767 0.479 12.637 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.003 2.254 11.467 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.390 2.092 10.732 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.846 1.744 9.769 1.00 0.00 H new ATOM 616 N LEU A 42 -2.217 -2.541 10.915 1.00 0.00 N ATOM 617 CA LEU A 42 -2.017 -3.907 11.386 1.00 0.00 C ATOM 618 C LEU A 42 -2.659 -4.110 12.755 1.00 0.00 C ATOM 619 O LEU A 42 -2.889 -3.162 13.506 1.00 0.00 O ATOM 620 CB LEU A 42 -0.524 -4.230 11.457 1.00 0.00 C ATOM 621 CG LEU A 42 0.161 -4.534 10.124 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.624 -4.889 10.345 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.559 -5.662 9.399 1.00 0.00 C ATOM 0 H LEU A 42 -1.355 -2.018 10.759 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.495 -4.583 10.677 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.012 -3.387 11.922 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.389 -5.088 12.116 1.00 0.00 H new ATOM 0 HG LEU A 42 0.114 -3.641 9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.096 -5.102 9.386 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.134 -4.052 10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.692 -5.768 10.986 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.058 -5.865 8.453 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.544 -6.560 10.017 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.592 -5.371 9.207 1.00 0.00 H new ATOM 635 N PRO A 43 -2.953 -5.375 13.089 1.00 0.00 N ATOM 636 CA PRO A 43 -3.569 -5.733 14.371 1.00 0.00 C ATOM 637 C PRO A 43 -2.617 -5.540 15.546 1.00 0.00 C ATOM 638 O PRO A 43 -2.947 -5.868 16.686 1.00 0.00 O ATOM 639 CB PRO A 43 -3.912 -7.214 14.198 1.00 0.00 C ATOM 640 CG PRO A 43 -2.950 -7.709 13.174 1.00 0.00 C ATOM 641 CD PRO A 43 -2.706 -6.555 12.243 1.00 0.00 C ATOM 0 HA PRO A 43 -4.431 -5.106 14.598 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.805 -7.757 15.137 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.943 -7.346 13.869 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.021 -8.039 13.639 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.358 -8.565 12.636 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.689 -6.563 11.852 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.378 -6.582 11.385 1.00 0.00 H new ATOM 649 N CYS A 44 -1.434 -5.006 15.261 1.00 0.00 N ATOM 650 CA CYS A 44 -0.433 -4.769 16.294 1.00 0.00 C ATOM 651 C CYS A 44 -0.279 -3.276 16.570 1.00 0.00 C ATOM 652 O CYS A 44 0.690 -2.847 17.195 1.00 0.00 O ATOM 653 CB CYS A 44 0.914 -5.362 15.874 1.00 0.00 C ATOM 654 SG CYS A 44 1.321 -5.113 14.116 1.00 0.00 S ATOM 0 H CYS A 44 -1.145 -4.729 14.323 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.769 -5.257 17.209 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.700 -4.918 16.484 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.910 -6.431 16.087 1.00 0.00 H new ATOM 0 HG CYS A 44 2.180 -4.144 14.002 1.00 0.00 H new ATOM 659 N ASN A 45 -1.242 -2.490 16.100 1.00 0.00 N ATOM 660 CA ASN A 45 -1.214 -1.045 16.296 1.00 0.00 C ATOM 661 C ASN A 45 -0.122 -0.402 15.447 1.00 0.00 C ATOM 662 O ASN A 45 0.709 0.352 15.953 1.00 0.00 O ATOM 663 CB ASN A 45 -0.989 -0.714 17.773 1.00 0.00 C ATOM 664 CG ASN A 45 -1.793 -1.611 18.695 1.00 0.00 C ATOM 665 OD1 ASN A 45 -1.245 -2.497 19.350 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.100 -1.383 18.750 1.00 0.00 N ATOM 0 H ASN A 45 -2.052 -2.829 15.581 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.177 -0.642 15.983 1.00 0.00 H new ATOM 0 HB2 ASN A 45 0.071 -0.813 18.007 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -1.260 0.326 17.955 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -3.692 -1.954 19.353 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.512 -0.637 18.189 1.00 0.00 H new ATOM 673 N HIS A 46 -0.130 -0.706 14.153 1.00 0.00 N ATOM 674 CA HIS A 46 0.859 -0.157 13.232 1.00 0.00 C ATOM 675 C HIS A 46 0.202 0.284 11.928 1.00 0.00 C ATOM 676 O HIS A 46 -0.650 -0.417 11.384 1.00 0.00 O ATOM 677 CB HIS A 46 1.948 -1.191 12.944 1.00 0.00 C ATOM 678 CG HIS A 46 2.978 -1.294 14.027 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.607 -2.476 14.357 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.490 -0.353 14.854 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.460 -2.257 15.343 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.408 -0.977 15.662 1.00 0.00 N ATOM 0 H HIS A 46 -0.810 -1.329 13.718 1.00 0.00 H new ATOM 0 HA HIS A 46 1.312 0.715 13.703 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.483 -2.167 12.802 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.442 -0.935 12.007 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.226 0.694 14.875 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.092 -2.999 15.808 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.960 -0.525 16.391 1.00 0.00 H new ATOM 690 N GLU A 47 0.604 1.451 11.433 1.00 0.00 N ATOM 691 CA GLU A 47 0.053 1.985 10.194 1.00 0.00 C ATOM 692 C GLU A 47 0.880 1.537 8.992 1.00 0.00 C ATOM 693 O GLU A 47 2.101 1.409 9.078 1.00 0.00 O ATOM 694 CB GLU A 47 0.000 3.513 10.250 1.00 0.00 C ATOM 695 CG GLU A 47 -0.822 4.052 11.408 1.00 0.00 C ATOM 696 CD GLU A 47 -0.268 3.640 12.758 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.916 3.932 13.027 1.00 0.00 O ATOM 698 OE2 GLU A 47 -1.018 3.027 13.546 1.00 0.00 O ATOM 0 H GLU A 47 1.309 2.044 11.871 1.00 0.00 H new ATOM 0 HA GLU A 47 -0.959 1.598 10.081 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.016 3.901 10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.416 3.888 9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.855 5.140 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.848 3.696 11.317 1.00 0.00 H new ATOM 705 N PHE A 48 0.205 1.299 7.872 1.00 0.00 N ATOM 706 CA PHE A 48 0.877 0.864 6.653 1.00 0.00 C ATOM 707 C PHE A 48 0.119 1.338 5.416 1.00 0.00 C ATOM 708 O PHE A 48 -0.991 1.861 5.517 1.00 0.00 O ATOM 709 CB PHE A 48 1.005 -0.661 6.633 1.00 0.00 C ATOM 710 CG PHE A 48 1.862 -1.205 7.740 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.238 -1.277 7.597 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.292 -1.644 8.924 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.030 -1.777 8.614 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.078 -2.144 9.944 1.00 0.00 C ATOM 715 CZ PHE A 48 3.449 -2.212 9.789 1.00 0.00 C ATOM 0 H PHE A 48 -0.806 1.400 7.783 1.00 0.00 H new ATOM 0 HA PHE A 48 1.873 1.306 6.639 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.011 -1.102 6.704 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.423 -0.970 5.675 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.698 -0.939 6.680 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.221 -1.595 9.051 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.102 -1.827 8.490 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.621 -2.482 10.862 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.065 -2.604 10.585 1.00 0.00 H new ATOM 725 N HIS A 49 0.728 1.152 4.249 1.00 0.00 N ATOM 726 CA HIS A 49 0.112 1.560 2.992 1.00 0.00 C ATOM 727 C HIS A 49 -0.674 0.408 2.373 1.00 0.00 C ATOM 728 O HIS A 49 -0.136 -0.677 2.156 1.00 0.00 O ATOM 729 CB HIS A 49 1.179 2.050 2.012 1.00 0.00 C ATOM 730 CG HIS A 49 1.494 3.507 2.149 1.00 0.00 C ATOM 731 ND1 HIS A 49 0.681 4.589 2.191 1.00 0.00 N flip ATOM 732 CD2 HIS A 49 2.780 3.992 2.260 1.00 0.00 C flip ATOM 733 CE1 HIS A 49 1.482 5.696 2.326 1.00 0.00 C flip ATOM 734 NE2 HIS A 49 2.744 5.308 2.366 1.00 0.00 N flip ATOM 0 H HIS A 49 1.647 0.721 4.148 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.579 2.376 3.203 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.092 1.474 2.163 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.843 1.854 0.994 1.00 0.00 H new ATOM 0 HD2 HIS A 49 3.677 3.390 2.260 1.00 0.00 H new ATOM 0 HE1 HIS A 49 1.137 6.717 2.389 1.00 0.00 H new ATOM 0 HE2 HIS A 49 3.554 5.921 2.462 1.00 0.00 H new ATOM 742 N ALA A 50 -1.950 0.652 2.091 1.00 0.00 N ATOM 743 CA ALA A 50 -2.809 -0.364 1.496 1.00 0.00 C ATOM 744 C ALA A 50 -2.096 -1.089 0.360 1.00 0.00 C ATOM 745 O ALA A 50 -2.406 -2.240 0.053 1.00 0.00 O ATOM 746 CB ALA A 50 -4.100 0.265 0.995 1.00 0.00 C ATOM 0 H ALA A 50 -2.411 1.545 2.265 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.050 -1.098 2.266 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.732 -0.505 0.553 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.625 0.731 1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.869 1.020 0.244 1.00 0.00 H new ATOM 752 N LYS A 51 -1.138 -0.409 -0.261 1.00 0.00 N ATOM 753 CA LYS A 51 -0.379 -0.989 -1.363 1.00 0.00 C ATOM 754 C LYS A 51 0.859 -1.716 -0.848 1.00 0.00 C ATOM 755 O LYS A 51 1.100 -2.873 -1.193 1.00 0.00 O ATOM 756 CB LYS A 51 0.033 0.102 -2.354 1.00 0.00 C ATOM 757 CG LYS A 51 0.837 1.226 -1.722 1.00 0.00 C ATOM 758 CD LYS A 51 1.108 2.343 -2.716 1.00 0.00 C ATOM 759 CE LYS A 51 -0.102 3.250 -2.880 1.00 0.00 C ATOM 760 NZ LYS A 51 0.263 4.558 -3.490 1.00 0.00 N ATOM 0 H LYS A 51 -0.869 0.545 -0.020 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.018 -1.712 -1.871 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.621 -0.349 -3.154 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.862 0.521 -2.813 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.296 1.624 -0.864 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.782 0.833 -1.348 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.962 2.931 -2.380 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.376 1.915 -3.682 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.846 2.754 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -0.563 3.419 -1.907 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -0.589 5.147 -3.585 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 0.954 5.044 -2.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 0.680 4.399 -4.429 1.00 0.00 H new ATOM 774 N CYS A 52 1.640 -1.032 -0.019 1.00 0.00 N ATOM 775 CA CYS A 52 2.853 -1.613 0.545 1.00 0.00 C ATOM 776 C CYS A 52 2.541 -2.912 1.282 1.00 0.00 C ATOM 777 O CYS A 52 2.929 -3.995 0.844 1.00 0.00 O ATOM 778 CB CYS A 52 3.523 -0.621 1.498 1.00 0.00 C ATOM 779 SG CYS A 52 4.106 0.906 0.693 1.00 0.00 S ATOM 0 H CYS A 52 1.455 -0.074 0.278 1.00 0.00 H new ATOM 0 HA CYS A 52 3.535 -1.836 -0.275 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.817 -0.357 2.286 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.369 -1.111 1.979 1.00 0.00 H new ATOM 0 HG CYS A 52 4.565 1.723 1.594 1.00 0.00 H new ATOM 784 N VAL A 53 1.838 -2.796 2.404 1.00 0.00 N ATOM 785 CA VAL A 53 1.473 -3.960 3.202 1.00 0.00 C ATOM 786 C VAL A 53 0.946 -5.087 2.320 1.00 0.00 C ATOM 787 O VAL A 53 1.135 -6.266 2.623 1.00 0.00 O ATOM 788 CB VAL A 53 0.407 -3.607 4.256 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.954 -3.431 3.601 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.353 -4.675 5.338 1.00 0.00 C ATOM 0 H VAL A 53 1.510 -1.907 2.781 1.00 0.00 H new ATOM 0 HA VAL A 53 2.379 -4.292 3.710 1.00 0.00 H new ATOM 0 HB VAL A 53 0.683 -2.662 4.724 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.694 -3.182 4.361 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.903 -2.627 2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.241 -4.358 3.105 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.406 -4.409 6.074 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.102 -5.636 4.889 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.324 -4.746 5.828 1.00 0.00 H new ATOM 800 N ASP A 54 0.286 -4.717 1.229 1.00 0.00 N ATOM 801 CA ASP A 54 -0.268 -5.696 0.301 1.00 0.00 C ATOM 802 C ASP A 54 0.844 -6.482 -0.387 1.00 0.00 C ATOM 803 O ASP A 54 0.701 -7.675 -0.658 1.00 0.00 O ATOM 804 CB ASP A 54 -1.141 -5.003 -0.745 1.00 0.00 C ATOM 805 CG ASP A 54 -2.591 -4.901 -0.314 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.955 -5.537 0.697 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.361 -4.185 -0.987 1.00 0.00 O ATOM 0 H ASP A 54 0.121 -3.746 0.965 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.882 -6.393 0.871 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -0.750 -4.003 -0.935 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -1.082 -5.552 -1.685 1.00 0.00 H new ATOM 812 N LYS A 55 1.953 -5.806 -0.667 1.00 0.00 N ATOM 813 CA LYS A 55 3.091 -6.440 -1.323 1.00 0.00 C ATOM 814 C LYS A 55 3.923 -7.235 -0.322 1.00 0.00 C ATOM 815 O LYS A 55 4.490 -8.274 -0.659 1.00 0.00 O ATOM 816 CB LYS A 55 3.965 -5.385 -2.005 1.00 0.00 C ATOM 817 CG LYS A 55 4.689 -5.899 -3.237 1.00 0.00 C ATOM 818 CD LYS A 55 5.238 -4.759 -4.078 1.00 0.00 C ATOM 819 CE LYS A 55 4.211 -4.265 -5.086 1.00 0.00 C ATOM 820 NZ LYS A 55 4.854 -3.594 -6.250 1.00 0.00 N ATOM 0 H LYS A 55 2.088 -4.819 -0.450 1.00 0.00 H new ATOM 0 HA LYS A 55 2.707 -7.128 -2.077 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.342 -4.537 -2.288 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.700 -5.016 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.506 -6.554 -2.933 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.006 -6.499 -3.838 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.536 -3.937 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 55 6.134 -5.091 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.613 -5.106 -5.437 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.528 -3.570 -4.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.121 -3.272 -6.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.405 -2.776 -5.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.486 -4.265 -6.732 1.00 0.00 H new ATOM 834 N TRP A 56 3.990 -6.741 0.909 1.00 0.00 N ATOM 835 CA TRP A 56 4.752 -7.407 1.959 1.00 0.00 C ATOM 836 C TRP A 56 4.056 -8.687 2.408 1.00 0.00 C ATOM 837 O TRP A 56 4.615 -9.780 2.301 1.00 0.00 O ATOM 838 CB TRP A 56 4.941 -6.469 3.153 1.00 0.00 C ATOM 839 CG TRP A 56 5.583 -7.133 4.333 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.948 -7.694 5.404 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.986 -7.302 4.563 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.872 -8.202 6.285 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.129 -7.975 5.792 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.135 -6.953 3.848 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.375 -8.303 6.320 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.371 -7.279 4.374 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.483 -7.949 5.600 1.00 0.00 C ATOM 0 H TRP A 56 3.526 -5.882 1.204 1.00 0.00 H new ATOM 0 HA TRP A 56 5.729 -7.670 1.554 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.552 -5.620 2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.971 -6.072 3.452 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.877 -7.733 5.539 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.656 -8.672 7.164 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.059 -6.438 2.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.464 -8.819 7.265 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.266 -7.013 3.831 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.463 -8.191 5.984 1.00 0.00 H new ATOM 858 N LEU A 57 2.834 -8.547 2.910 1.00 0.00 N ATOM 859 CA LEU A 57 2.062 -9.693 3.375 1.00 0.00 C ATOM 860 C LEU A 57 2.186 -10.864 2.404 1.00 0.00 C ATOM 861 O LEU A 57 2.335 -12.014 2.817 1.00 0.00 O ATOM 862 CB LEU A 57 0.590 -9.309 3.541 1.00 0.00 C ATOM 863 CG LEU A 57 0.274 -8.344 4.685 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.130 -7.779 4.534 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.428 -9.042 6.029 1.00 0.00 C ATOM 0 H LEU A 57 2.357 -7.651 3.005 1.00 0.00 H new ATOM 0 HA LEU A 57 2.463 -10.001 4.341 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.244 -8.862 2.609 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.012 -10.221 3.691 1.00 0.00 H new ATOM 0 HG LEU A 57 0.983 -7.517 4.644 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.337 -7.095 5.357 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.207 -7.243 3.588 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.854 -8.594 4.549 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.199 -8.341 6.832 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.257 -9.888 6.080 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.452 -9.398 6.139 1.00 0.00 H new ATOM 877 N LYS A 58 2.127 -10.562 1.112 1.00 0.00 N ATOM 878 CA LYS A 58 2.237 -11.588 0.081 1.00 0.00 C ATOM 879 C LYS A 58 3.501 -12.418 0.272 1.00 0.00 C ATOM 880 O LYS A 58 3.479 -13.641 0.130 1.00 0.00 O ATOM 881 CB LYS A 58 2.241 -10.945 -1.308 1.00 0.00 C ATOM 882 CG LYS A 58 1.639 -11.827 -2.388 1.00 0.00 C ATOM 883 CD LYS A 58 2.068 -11.380 -3.776 1.00 0.00 C ATOM 884 CE LYS A 58 1.016 -11.721 -4.821 1.00 0.00 C ATOM 885 NZ LYS A 58 1.225 -10.963 -6.086 1.00 0.00 N ATOM 0 H LYS A 58 2.004 -9.615 0.753 1.00 0.00 H new ATOM 0 HA LYS A 58 1.374 -12.248 0.167 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.688 -10.007 -1.266 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.267 -10.698 -1.582 1.00 0.00 H new ATOM 0 HG2 LYS A 58 1.945 -12.861 -2.227 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.552 -11.801 -2.316 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.246 -10.305 -3.774 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.012 -11.859 -4.038 1.00 0.00 H new ATOM 0 HE2 LYS A 58 1.044 -12.790 -5.029 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.025 -11.500 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 0.488 -11.223 -6.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.173 -9.943 -5.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.160 -11.193 -6.478 1.00 0.00 H new ATOM 899 N ALA A 59 4.601 -11.747 0.596 1.00 0.00 N ATOM 900 CA ALA A 59 5.874 -12.425 0.811 1.00 0.00 C ATOM 901 C ALA A 59 5.956 -13.008 2.217 1.00 0.00 C ATOM 902 O ALA A 59 6.347 -14.160 2.400 1.00 0.00 O ATOM 903 CB ALA A 59 7.030 -11.465 0.567 1.00 0.00 C ATOM 0 H ALA A 59 4.637 -10.735 0.715 1.00 0.00 H new ATOM 0 HA ALA A 59 5.943 -13.249 0.101 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.975 -11.984 0.731 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.990 -11.100 -0.459 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.955 -10.623 1.255 1.00 0.00 H new ATOM 909 N ASN A 60 5.584 -12.204 3.209 1.00 0.00 N ATOM 910 CA ASN A 60 5.617 -12.641 4.600 1.00 0.00 C ATOM 911 C ASN A 60 4.341 -12.230 5.329 1.00 0.00 C ATOM 912 O ASN A 60 4.040 -11.043 5.455 1.00 0.00 O ATOM 913 CB ASN A 60 6.836 -12.052 5.312 1.00 0.00 C ATOM 914 CG ASN A 60 8.140 -12.442 4.644 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.444 -13.626 4.493 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.919 -11.445 4.240 1.00 0.00 N ATOM 0 H ASN A 60 5.257 -11.247 3.075 1.00 0.00 H new ATOM 0 HA ASN A 60 5.688 -13.729 4.612 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.752 -10.965 5.332 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.847 -12.390 6.348 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.809 -11.646 3.784 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.627 -10.479 4.386 1.00 0.00 H new ATOM 923 N ARG A 61 3.595 -13.221 5.807 1.00 0.00 N ATOM 924 CA ARG A 61 2.351 -12.963 6.523 1.00 0.00 C ATOM 925 C ARG A 61 2.631 -12.494 7.948 1.00 0.00 C ATOM 926 O ARG A 61 2.098 -13.045 8.911 1.00 0.00 O ATOM 927 CB ARG A 61 1.484 -14.223 6.551 1.00 0.00 C ATOM 928 CG ARG A 61 0.010 -13.943 6.799 1.00 0.00 C ATOM 929 CD ARG A 61 -0.753 -15.218 7.122 1.00 0.00 C ATOM 930 NE ARG A 61 -0.433 -15.725 8.454 1.00 0.00 N ATOM 931 CZ ARG A 61 -0.595 -16.993 8.816 1.00 0.00 C ATOM 932 NH1 ARG A 61 -1.070 -17.878 7.950 1.00 0.00 N ATOM 933 NH2 ARG A 61 -0.281 -17.378 10.046 1.00 0.00 N ATOM 0 H ARG A 61 3.830 -14.209 5.712 1.00 0.00 H new ATOM 0 HA ARG A 61 1.815 -12.173 5.997 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.591 -14.748 5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.854 -14.891 7.329 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.094 -13.237 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.425 -13.471 5.918 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.824 -15.026 7.055 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -0.518 -15.979 6.378 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.065 -15.070 9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -1.312 -17.586 7.003 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -1.193 -18.851 8.231 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.085 -16.700 10.715 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.406 -18.352 10.323 1.00 0.00 H new ATOM 947 N THR A 62 3.471 -11.471 8.074 1.00 0.00 N ATOM 948 CA THR A 62 3.823 -10.928 9.380 1.00 0.00 C ATOM 949 C THR A 62 4.075 -9.427 9.301 1.00 0.00 C ATOM 950 O THR A 62 4.103 -8.847 8.215 1.00 0.00 O ATOM 951 CB THR A 62 5.074 -11.618 9.956 1.00 0.00 C ATOM 952 OG1 THR A 62 6.142 -11.572 9.002 1.00 0.00 O ATOM 953 CG2 THR A 62 4.775 -13.064 10.321 1.00 0.00 C ATOM 0 H THR A 62 3.920 -11.002 7.287 1.00 0.00 H new ATOM 0 HA THR A 62 2.977 -11.117 10.040 1.00 0.00 H new ATOM 0 HB THR A 62 5.372 -11.086 10.860 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.934 -12.011 9.376 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.673 -13.530 10.726 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.982 -13.094 11.069 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.455 -13.605 9.431 1.00 0.00 H new ATOM 961 N CYS A 63 4.259 -8.801 10.459 1.00 0.00 N ATOM 962 CA CYS A 63 4.510 -7.366 10.522 1.00 0.00 C ATOM 963 C CYS A 63 5.998 -7.066 10.364 1.00 0.00 C ATOM 964 O CYS A 63 6.833 -7.514 11.149 1.00 0.00 O ATOM 965 CB CYS A 63 4.001 -6.796 11.847 1.00 0.00 C ATOM 966 SG CYS A 63 4.344 -5.021 12.074 1.00 0.00 S ATOM 0 H CYS A 63 4.239 -9.265 11.367 1.00 0.00 H new ATOM 0 HA CYS A 63 3.973 -6.892 9.700 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.925 -6.958 11.910 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.456 -7.351 12.668 1.00 0.00 H new ATOM 0 HG CYS A 63 4.763 -4.513 10.953 1.00 0.00 H new ATOM 971 N PRO A 64 6.337 -6.290 9.324 1.00 0.00 N ATOM 972 CA PRO A 64 7.725 -5.912 9.038 1.00 0.00 C ATOM 973 C PRO A 64 8.285 -4.941 10.072 1.00 0.00 C ATOM 974 O PRO A 64 9.388 -4.417 9.911 1.00 0.00 O ATOM 975 CB PRO A 64 7.634 -5.238 7.667 1.00 0.00 C ATOM 976 CG PRO A 64 6.234 -4.735 7.584 1.00 0.00 C ATOM 977 CD PRO A 64 5.394 -5.721 8.347 1.00 0.00 C ATOM 0 HA PRO A 64 8.395 -6.772 9.062 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.353 -4.424 7.578 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.850 -5.943 6.864 1.00 0.00 H new ATOM 0 HG2 PRO A 64 6.152 -3.737 8.014 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.906 -4.663 6.547 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.551 -5.235 8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.982 -6.489 7.692 1.00 0.00 H new ATOM 985 N ILE A 65 7.520 -4.706 11.133 1.00 0.00 N ATOM 986 CA ILE A 65 7.942 -3.800 12.193 1.00 0.00 C ATOM 987 C ILE A 65 8.221 -4.558 13.487 1.00 0.00 C ATOM 988 O ILE A 65 9.358 -4.611 13.956 1.00 0.00 O ATOM 989 CB ILE A 65 6.881 -2.718 12.464 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.510 -1.999 11.165 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.389 -1.724 13.499 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.536 -0.859 11.362 1.00 0.00 C ATOM 0 H ILE A 65 6.605 -5.131 11.281 1.00 0.00 H new ATOM 0 HA ILE A 65 8.859 -3.321 11.851 1.00 0.00 H new ATOM 0 HB ILE A 65 5.986 -3.199 12.859 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.418 -1.614 10.700 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.078 -2.720 10.471 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.627 -0.965 13.679 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.607 -2.248 14.430 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.297 -1.246 13.130 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.319 -0.396 10.400 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.613 -1.241 11.798 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.974 -0.118 12.031 1.00 0.00 H new ATOM 1004 N CYS A 66 7.175 -5.146 14.058 1.00 0.00 N ATOM 1005 CA CYS A 66 7.305 -5.903 15.297 1.00 0.00 C ATOM 1006 C CYS A 66 7.177 -7.401 15.035 1.00 0.00 C ATOM 1007 O CYS A 66 6.824 -8.170 15.929 1.00 0.00 O ATOM 1008 CB CYS A 66 6.245 -5.458 16.306 1.00 0.00 C ATOM 1009 SG CYS A 66 4.532 -5.775 15.772 1.00 0.00 S ATOM 0 H CYS A 66 6.227 -5.113 13.682 1.00 0.00 H new ATOM 0 HA CYS A 66 8.294 -5.707 15.711 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.421 -5.971 17.252 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.364 -4.391 16.495 1.00 0.00 H new ATOM 0 HG CYS A 66 4.421 -5.526 14.501 1.00 0.00 H new ATOM 1014 N ARG A 67 7.465 -7.807 13.803 1.00 0.00 N ATOM 1015 CA ARG A 67 7.381 -9.212 13.422 1.00 0.00 C ATOM 1016 C ARG A 67 6.227 -9.902 14.142 1.00 0.00 C ATOM 1017 O ARG A 67 6.287 -11.097 14.430 1.00 0.00 O ATOM 1018 CB ARG A 67 8.695 -9.928 13.740 1.00 0.00 C ATOM 1019 CG ARG A 67 9.882 -9.403 12.948 1.00 0.00 C ATOM 1020 CD ARG A 67 11.089 -10.319 13.080 1.00 0.00 C ATOM 1021 NE ARG A 67 12.346 -9.596 12.907 1.00 0.00 N ATOM 1022 CZ ARG A 67 12.926 -8.889 13.870 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.365 -8.810 15.069 1.00 0.00 N ATOM 1024 NH2 ARG A 67 14.070 -8.259 13.635 1.00 0.00 N ATOM 0 H ARG A 67 7.759 -7.183 13.051 1.00 0.00 H new ATOM 0 HA ARG A 67 7.199 -9.261 12.348 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.906 -9.827 14.805 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.577 -10.993 13.539 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.607 -9.310 11.897 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.142 -8.404 13.299 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.077 -10.796 14.060 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.023 -11.115 12.338 1.00 0.00 H new ATOM 0 HE ARG A 67 12.804 -9.636 11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.486 -9.293 15.253 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.813 -8.266 15.807 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.505 -8.318 12.714 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.515 -7.716 14.375 1.00 0.00 H new ATOM 1038 N ALA A 68 5.176 -9.141 14.430 1.00 0.00 N ATOM 1039 CA ALA A 68 4.007 -9.679 15.115 1.00 0.00 C ATOM 1040 C ALA A 68 3.054 -10.348 14.130 1.00 0.00 C ATOM 1041 O ALA A 68 2.416 -9.678 13.317 1.00 0.00 O ATOM 1042 CB ALA A 68 3.291 -8.578 15.881 1.00 0.00 C ATOM 0 H ALA A 68 5.110 -8.150 14.199 1.00 0.00 H new ATOM 0 HA ALA A 68 4.347 -10.436 15.822 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.420 -8.994 16.387 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.969 -8.148 16.619 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.970 -7.801 15.187 1.00 0.00 H new ATOM 1048 N ASP A 69 2.962 -11.671 14.209 1.00 0.00 N ATOM 1049 CA ASP A 69 2.085 -12.430 13.324 1.00 0.00 C ATOM 1050 C ASP A 69 0.726 -11.750 13.191 1.00 0.00 C ATOM 1051 O ASP A 69 -0.046 -11.691 14.148 1.00 0.00 O ATOM 1052 CB ASP A 69 1.907 -13.855 13.849 1.00 0.00 C ATOM 1053 CG ASP A 69 1.670 -14.857 12.735 1.00 0.00 C ATOM 1054 OD1 ASP A 69 2.329 -14.739 11.681 1.00 0.00 O ATOM 1055 OD2 ASP A 69 0.827 -15.759 12.919 1.00 0.00 O ATOM 0 H ASP A 69 3.483 -12.240 14.876 1.00 0.00 H new ATOM 0 HA ASP A 69 2.549 -12.469 12.338 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.794 -14.145 14.412 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.066 -13.881 14.542 1.00 0.00 H new ATOM 1060 N SER A 70 0.441 -11.236 11.999 1.00 0.00 N ATOM 1061 CA SER A 70 -0.822 -10.556 11.741 1.00 0.00 C ATOM 1062 C SER A 70 -2.001 -11.501 11.952 1.00 0.00 C ATOM 1063 O SER A 70 -2.948 -11.180 12.669 1.00 0.00 O ATOM 1064 CB SER A 70 -0.847 -10.002 10.315 1.00 0.00 C ATOM 1065 OG SER A 70 -0.555 -11.016 9.370 1.00 0.00 O ATOM 0 H SER A 70 1.069 -11.278 11.196 1.00 0.00 H new ATOM 0 HA SER A 70 -0.910 -9.729 12.446 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.828 -9.575 10.104 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.121 -9.194 10.222 1.00 0.00 H new ATOM 0 HG SER A 70 -0.579 -10.638 8.466 1.00 0.00 H new