USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=15 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 44 CYS SG : rot 102:sc= -0.604 USER MOD Set 1.2: A 46 HIS : no HD1:sc= -0.347 K(o=-6.2,f=-7.1) USER MOD Set 1.3: A 63 CYS SG : rot 6:sc= -1.68 USER MOD Set 1.4: A 66 CYS SG : rot -40:sc= -3.61! USER MOD Set 2.1: A 26 CYS SG : rot 50:sc= -0.707 USER MOD Set 2.2: A 29 CYS SG : rot -57:sc= -1.63 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.85 K(o=-5.7,f=-5.2) USER MOD Set 2.4: A 52 CYS SG : rot -166:sc= -1.53! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 43:sc= 0.554 USER MOD Single : A 30 MET CE :methyl -111:sc= -1.98! (180deg=-4.15!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.099 K(o=0.099,f=-1.8) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.03) 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+ -125:sc= 0.664 (180deg=-0.47) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot -52:sc= 0.803 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.925 3.853 6.113 1.00 0.00 N ATOM 128 CA TYR A 12 -10.104 5.275 6.383 1.00 0.00 C ATOM 129 C TYR A 12 -8.928 6.084 5.845 1.00 0.00 C ATOM 130 O TYR A 12 -7.813 5.576 5.729 1.00 0.00 O ATOM 131 CB TYR A 12 -10.259 5.515 7.886 1.00 0.00 C ATOM 132 CG TYR A 12 -8.942 5.675 8.612 1.00 0.00 C ATOM 133 CD1 TYR A 12 -8.297 6.904 8.658 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.343 4.596 9.250 1.00 0.00 C ATOM 135 CE1 TYR A 12 -7.093 7.055 9.319 1.00 0.00 C ATOM 136 CE2 TYR A 12 -7.140 4.738 9.915 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.519 5.969 9.947 1.00 0.00 C ATOM 138 OH TYR A 12 -5.321 6.114 10.607 1.00 0.00 O ATOM 0 HA TYR A 12 -11.010 5.604 5.875 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.862 6.410 8.042 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.807 4.681 8.324 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.744 7.757 8.169 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.826 3.630 9.226 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.604 8.018 9.344 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.688 3.889 10.407 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.055 5.254 10.995 1.00 0.00 H new ATOM 148 N ARG A 13 -9.186 7.347 5.520 1.00 0.00 N ATOM 149 CA ARG A 13 -8.150 8.227 4.994 1.00 0.00 C ATOM 150 C ARG A 13 -7.387 8.906 6.128 1.00 0.00 C ATOM 151 O ARG A 13 -7.987 9.482 7.036 1.00 0.00 O ATOM 152 CB ARG A 13 -8.766 9.284 4.076 1.00 0.00 C ATOM 153 CG ARG A 13 -9.461 8.700 2.856 1.00 0.00 C ATOM 154 CD ARG A 13 -9.855 9.785 1.866 1.00 0.00 C ATOM 155 NE ARG A 13 -10.982 10.580 2.346 1.00 0.00 N ATOM 156 CZ ARG A 13 -12.249 10.314 2.047 1.00 0.00 C ATOM 157 NH1 ARG A 13 -12.548 9.279 1.275 1.00 0.00 N ATOM 158 NH2 ARG A 13 -13.219 11.084 2.522 1.00 0.00 N ATOM 0 H ARG A 13 -10.103 7.783 5.612 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.450 7.620 4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.484 9.874 4.645 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.983 9.967 3.746 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.800 7.983 2.368 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.350 8.152 3.170 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.001 10.438 1.685 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -10.114 9.328 0.911 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.786 11.383 2.943 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.805 8.684 0.909 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -13.522 9.077 1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -12.992 11.881 3.117 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -14.191 10.879 2.292 1.00 0.00 H new ATOM 172 N PHE A 14 -6.061 8.834 6.069 1.00 0.00 N ATOM 173 CA PHE A 14 -5.216 9.441 7.091 1.00 0.00 C ATOM 174 C PHE A 14 -5.558 10.916 7.274 1.00 0.00 C ATOM 175 O PHE A 14 -5.613 11.676 6.308 1.00 0.00 O ATOM 176 CB PHE A 14 -3.740 9.290 6.717 1.00 0.00 C ATOM 177 CG PHE A 14 -2.812 10.041 7.628 1.00 0.00 C ATOM 178 CD1 PHE A 14 -2.470 11.356 7.359 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.280 9.432 8.753 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.616 12.051 8.195 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.426 10.121 9.593 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.093 11.432 9.313 1.00 0.00 C ATOM 0 H PHE A 14 -5.549 8.361 5.324 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.400 8.925 8.033 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.476 8.233 6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.595 9.639 5.695 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.876 11.844 6.485 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.536 8.407 8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.358 13.076 7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.019 9.635 10.468 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.425 11.972 9.967 1.00 0.00 H new ATOM 326 N THR A 24 2.874 7.685 12.773 1.00 0.00 N ATOM 327 CA THR A 24 2.303 7.087 11.573 1.00 0.00 C ATOM 328 C THR A 24 3.306 7.093 10.425 1.00 0.00 C ATOM 329 O THR A 24 3.502 8.114 9.764 1.00 0.00 O ATOM 330 CB THR A 24 1.027 7.827 11.129 1.00 0.00 C ATOM 331 OG1 THR A 24 1.297 9.227 10.989 1.00 0.00 O ATOM 332 CG2 THR A 24 -0.096 7.621 12.135 1.00 0.00 C ATOM 0 HA THR A 24 2.048 6.057 11.824 1.00 0.00 H new ATOM 0 HB THR A 24 0.712 7.419 10.168 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.157 9.351 10.535 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.987 8.153 11.800 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.319 6.557 12.219 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.212 8.005 13.108 1.00 0.00 H new ATOM 340 N LEU A 25 3.937 5.948 10.192 1.00 0.00 N ATOM 341 CA LEU A 25 4.920 5.821 9.121 1.00 0.00 C ATOM 342 C LEU A 25 4.835 4.447 8.464 1.00 0.00 C ATOM 343 O LEU A 25 4.369 3.483 9.073 1.00 0.00 O ATOM 344 CB LEU A 25 6.330 6.051 9.667 1.00 0.00 C ATOM 345 CG LEU A 25 7.473 5.893 8.663 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.644 6.786 9.043 1.00 0.00 C ATOM 347 CD2 LEU A 25 7.914 4.439 8.581 1.00 0.00 C ATOM 0 H LEU A 25 3.786 5.094 10.730 1.00 0.00 H new ATOM 0 HA LEU A 25 4.700 6.578 8.368 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.377 7.057 10.085 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.497 5.356 10.490 1.00 0.00 H new ATOM 0 HG LEU A 25 7.113 6.199 7.681 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.448 6.660 8.318 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.321 7.827 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.004 6.512 10.035 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.728 4.346 7.862 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.256 4.107 9.561 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.075 3.822 8.261 1.00 0.00 H new ATOM 359 N CYS A 26 5.291 4.363 7.219 1.00 0.00 N ATOM 360 CA CYS A 26 5.268 3.107 6.479 1.00 0.00 C ATOM 361 C CYS A 26 6.620 2.404 6.559 1.00 0.00 C ATOM 362 O CYS A 26 7.460 2.545 5.670 1.00 0.00 O ATOM 363 CB CYS A 26 4.899 3.360 5.016 1.00 0.00 C ATOM 364 SG CYS A 26 4.685 1.842 4.030 1.00 0.00 S ATOM 0 H CYS A 26 5.681 5.150 6.701 1.00 0.00 H new ATOM 0 HA CYS A 26 4.515 2.462 6.931 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.975 3.937 4.980 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.675 3.972 4.557 1.00 0.00 H new ATOM 0 HG CYS A 26 3.891 1.025 4.657 1.00 0.00 H new ATOM 369 N VAL A 27 6.824 1.646 7.632 1.00 0.00 N ATOM 370 CA VAL A 27 8.073 0.920 7.829 1.00 0.00 C ATOM 371 C VAL A 27 8.512 0.223 6.545 1.00 0.00 C ATOM 372 O VAL A 27 9.706 0.086 6.278 1.00 0.00 O ATOM 373 CB VAL A 27 7.942 -0.129 8.949 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.511 -1.471 8.377 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.252 -0.260 9.711 1.00 0.00 C ATOM 0 H VAL A 27 6.140 1.519 8.378 1.00 0.00 H new ATOM 0 HA VAL A 27 8.824 1.656 8.116 1.00 0.00 H new ATOM 0 HB VAL A 27 7.174 0.204 9.647 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.424 -2.199 9.183 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.547 -1.362 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.253 -1.815 7.656 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.142 -1.005 10.499 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.042 -0.570 9.026 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.513 0.701 10.155 1.00 0.00 H new ATOM 385 N VAL A 28 7.538 -0.214 5.753 1.00 0.00 N ATOM 386 CA VAL A 28 7.824 -0.895 4.496 1.00 0.00 C ATOM 387 C VAL A 28 8.726 -0.049 3.605 1.00 0.00 C ATOM 388 O VAL A 28 9.883 -0.397 3.366 1.00 0.00 O ATOM 389 CB VAL A 28 6.529 -1.225 3.730 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.844 -1.977 2.446 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.580 -2.028 4.608 1.00 0.00 C ATOM 0 H VAL A 28 6.545 -0.109 5.959 1.00 0.00 H new ATOM 0 HA VAL A 28 8.336 -1.824 4.749 1.00 0.00 H new ATOM 0 HB VAL A 28 6.038 -0.289 3.464 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.917 -2.201 1.919 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.483 -1.362 1.812 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.359 -2.907 2.686 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.671 -2.252 4.051 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.061 -2.959 4.907 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.328 -1.448 5.496 1.00 0.00 H new ATOM 401 N CYS A 29 8.191 1.064 3.117 1.00 0.00 N ATOM 402 CA CYS A 29 8.947 1.962 2.252 1.00 0.00 C ATOM 403 C CYS A 29 9.469 3.162 3.037 1.00 0.00 C ATOM 404 O CYS A 29 9.691 4.234 2.476 1.00 0.00 O ATOM 405 CB CYS A 29 8.074 2.439 1.090 1.00 0.00 C ATOM 406 SG CYS A 29 6.746 3.585 1.579 1.00 0.00 S ATOM 0 H CYS A 29 7.235 1.367 3.306 1.00 0.00 H new ATOM 0 HA CYS A 29 9.800 1.411 1.855 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.708 2.929 0.351 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.629 1.571 0.604 1.00 0.00 H new ATOM 0 HG CYS A 29 5.989 3.017 2.471 1.00 0.00 H new ATOM 411 N MET A 30 9.662 2.972 4.338 1.00 0.00 N ATOM 412 CA MET A 30 10.159 4.039 5.200 1.00 0.00 C ATOM 413 C MET A 30 9.628 5.395 4.748 1.00 0.00 C ATOM 414 O MET A 30 10.361 6.385 4.734 1.00 0.00 O ATOM 415 CB MET A 30 11.689 4.051 5.202 1.00 0.00 C ATOM 416 CG MET A 30 12.305 2.885 5.958 1.00 0.00 C ATOM 417 SD MET A 30 12.732 3.309 7.658 1.00 0.00 S ATOM 418 CE MET A 30 11.161 3.048 8.477 1.00 0.00 C ATOM 0 H MET A 30 9.482 2.090 4.818 1.00 0.00 H new ATOM 0 HA MET A 30 9.803 3.849 6.213 1.00 0.00 H new ATOM 0 HB2 MET A 30 12.046 4.035 4.172 1.00 0.00 H new ATOM 0 HB3 MET A 30 12.036 4.985 5.645 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.606 2.049 5.961 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.201 2.550 5.435 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.754 4.007 8.797 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.466 2.570 7.787 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.306 2.407 9.347 1.00 0.00 H new ATOM 428 N CYS A 31 8.353 5.433 4.378 1.00 0.00 N ATOM 429 CA CYS A 31 7.725 6.669 3.924 1.00 0.00 C ATOM 430 C CYS A 31 6.471 6.972 4.737 1.00 0.00 C ATOM 431 O CYS A 31 5.798 6.062 5.222 1.00 0.00 O ATOM 432 CB CYS A 31 7.374 6.571 2.439 1.00 0.00 C ATOM 433 SG CYS A 31 7.216 8.171 1.611 1.00 0.00 S ATOM 0 H CYS A 31 7.734 4.623 4.383 1.00 0.00 H new ATOM 0 HA CYS A 31 8.435 7.483 4.069 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.142 5.986 1.933 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.436 6.025 2.333 1.00 0.00 H new ATOM 0 HG CYS A 31 6.920 7.984 0.359 1.00 0.00 H new ATOM 439 N ASP A 32 6.162 8.256 4.882 1.00 0.00 N ATOM 440 CA ASP A 32 4.988 8.679 5.636 1.00 0.00 C ATOM 441 C ASP A 32 3.735 8.623 4.769 1.00 0.00 C ATOM 442 O ASP A 32 3.817 8.451 3.552 1.00 0.00 O ATOM 443 CB ASP A 32 5.187 10.097 6.176 1.00 0.00 C ATOM 444 CG ASP A 32 4.119 10.489 7.178 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.075 11.028 6.753 1.00 0.00 O ATOM 446 OD2 ASP A 32 4.326 10.257 8.387 1.00 0.00 O ATOM 0 H ASP A 32 6.708 9.022 4.487 1.00 0.00 H new ATOM 0 HA ASP A 32 4.858 7.994 6.474 1.00 0.00 H new ATOM 0 HB2 ASP A 32 6.167 10.169 6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.179 10.803 5.346 1.00 0.00 H new ATOM 451 N PHE A 33 2.576 8.769 5.402 1.00 0.00 N ATOM 452 CA PHE A 33 1.305 8.732 4.688 1.00 0.00 C ATOM 453 C PHE A 33 0.796 10.144 4.411 1.00 0.00 C ATOM 454 O PHE A 33 1.134 11.087 5.126 1.00 0.00 O ATOM 455 CB PHE A 33 0.265 7.952 5.495 1.00 0.00 C ATOM 456 CG PHE A 33 0.836 6.770 6.225 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.211 5.629 5.536 1.00 0.00 C ATOM 458 CD2 PHE A 33 0.996 6.801 7.601 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.737 4.539 6.205 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.522 5.715 8.275 1.00 0.00 C ATOM 461 CZ PHE A 33 1.892 4.583 7.576 1.00 0.00 C ATOM 0 H PHE A 33 2.491 8.914 6.408 1.00 0.00 H new ATOM 0 HA PHE A 33 1.467 8.229 3.735 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.202 8.623 6.216 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.522 7.609 4.823 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.091 5.590 4.463 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.707 7.683 8.153 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.026 3.655 5.656 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.644 5.752 9.348 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.302 3.733 8.101 1.00 0.00 H new ATOM 471 N GLU A 34 -0.018 10.280 3.369 1.00 0.00 N ATOM 472 CA GLU A 34 -0.572 11.576 2.997 1.00 0.00 C ATOM 473 C GLU A 34 -1.886 11.837 3.729 1.00 0.00 C ATOM 474 O GLU A 34 -2.341 11.012 4.522 1.00 0.00 O ATOM 475 CB GLU A 34 -0.796 11.645 1.485 1.00 0.00 C ATOM 476 CG GLU A 34 -0.828 13.063 0.938 1.00 0.00 C ATOM 477 CD GLU A 34 -0.295 13.154 -0.478 1.00 0.00 C ATOM 478 OE1 GLU A 34 -0.273 12.117 -1.173 1.00 0.00 O ATOM 479 OE2 GLU A 34 0.101 14.264 -0.892 1.00 0.00 O ATOM 0 H GLU A 34 -0.308 9.509 2.768 1.00 0.00 H new ATOM 0 HA GLU A 34 0.144 12.345 3.287 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -0.004 11.089 0.983 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.736 11.150 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -1.853 13.434 0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.239 13.712 1.586 1.00 0.00 H new ATOM 486 N SER A 35 -2.489 12.989 3.457 1.00 0.00 N ATOM 487 CA SER A 35 -3.748 13.361 4.092 1.00 0.00 C ATOM 488 C SER A 35 -4.931 12.731 3.364 1.00 0.00 C ATOM 489 O SER A 35 -6.035 12.652 3.903 1.00 0.00 O ATOM 490 CB SER A 35 -3.901 14.883 4.116 1.00 0.00 C ATOM 491 OG SER A 35 -3.840 15.423 2.807 1.00 0.00 O ATOM 0 H SER A 35 -2.127 13.681 2.801 1.00 0.00 H new ATOM 0 HA SER A 35 -3.734 12.988 5.116 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.852 15.149 4.578 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.114 15.321 4.730 1.00 0.00 H new ATOM 0 HG SER A 35 -3.942 16.397 2.850 1.00 0.00 H new ATOM 497 N ARG A 36 -4.692 12.284 2.135 1.00 0.00 N ATOM 498 CA ARG A 36 -5.737 11.661 1.332 1.00 0.00 C ATOM 499 C ARG A 36 -5.221 10.394 0.657 1.00 0.00 C ATOM 500 O ARG A 36 -5.028 10.361 -0.558 1.00 0.00 O ATOM 501 CB ARG A 36 -6.249 12.642 0.275 1.00 0.00 C ATOM 502 CG ARG A 36 -7.202 13.689 0.828 1.00 0.00 C ATOM 503 CD ARG A 36 -7.774 14.562 -0.279 1.00 0.00 C ATOM 504 NE ARG A 36 -8.141 15.890 0.206 1.00 0.00 N ATOM 505 CZ ARG A 36 -7.262 16.774 0.664 1.00 0.00 C ATOM 506 NH1 ARG A 36 -5.971 16.473 0.700 1.00 0.00 N ATOM 507 NH2 ARG A 36 -7.674 17.962 1.088 1.00 0.00 N ATOM 0 H ARG A 36 -3.784 12.342 1.674 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.558 11.390 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.398 13.144 -0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.754 12.083 -0.513 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.015 13.197 1.362 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.678 14.314 1.551 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.041 14.658 -1.080 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -8.651 14.077 -0.706 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.126 16.153 0.192 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.651 15.561 0.375 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.298 17.154 1.052 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.666 18.197 1.062 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.998 18.640 1.440 1.00 0.00 H new ATOM 521 N GLN A 37 -5.000 9.353 1.454 1.00 0.00 N ATOM 522 CA GLN A 37 -4.506 8.084 0.933 1.00 0.00 C ATOM 523 C GLN A 37 -4.978 6.920 1.798 1.00 0.00 C ATOM 524 O GLN A 37 -4.870 6.960 3.024 1.00 0.00 O ATOM 525 CB GLN A 37 -2.978 8.097 0.865 1.00 0.00 C ATOM 526 CG GLN A 37 -2.419 9.174 -0.052 1.00 0.00 C ATOM 527 CD GLN A 37 -2.535 8.809 -1.519 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.139 7.796 -1.873 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.956 9.636 -2.382 1.00 0.00 N ATOM 0 H GLN A 37 -5.155 9.364 2.462 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.907 7.952 -0.072 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.579 8.243 1.869 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.629 7.123 0.522 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.948 10.110 0.129 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.371 9.347 0.194 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.466 10.464 -2.044 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.002 9.443 -3.383 1.00 0.00 H new ATOM 538 N LEU A 38 -5.503 5.885 1.152 1.00 0.00 N ATOM 539 CA LEU A 38 -5.992 4.708 1.862 1.00 0.00 C ATOM 540 C LEU A 38 -4.845 3.962 2.535 1.00 0.00 C ATOM 541 O LEU A 38 -3.814 3.696 1.915 1.00 0.00 O ATOM 542 CB LEU A 38 -6.727 3.775 0.897 1.00 0.00 C ATOM 543 CG LEU A 38 -7.858 2.942 1.500 1.00 0.00 C ATOM 544 CD1 LEU A 38 -7.318 1.998 2.564 1.00 0.00 C ATOM 545 CD2 LEU A 38 -8.934 3.846 2.084 1.00 0.00 C ATOM 0 H LEU A 38 -5.601 5.837 0.138 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.685 5.042 2.634 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.138 4.375 0.085 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.999 3.096 0.454 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.305 2.344 0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.138 1.413 2.982 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.585 1.327 2.117 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.844 2.576 3.357 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -9.731 3.236 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -8.500 4.471 2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.343 4.480 1.297 1.00 0.00 H new ATOM 557 N LEU A 39 -5.031 3.624 3.806 1.00 0.00 N ATOM 558 CA LEU A 39 -4.012 2.905 4.564 1.00 0.00 C ATOM 559 C LEU A 39 -4.617 1.709 5.291 1.00 0.00 C ATOM 560 O LEU A 39 -5.838 1.571 5.370 1.00 0.00 O ATOM 561 CB LEU A 39 -3.341 3.842 5.570 1.00 0.00 C ATOM 562 CG LEU A 39 -2.879 5.193 5.024 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.495 6.126 6.163 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.712 5.010 4.065 1.00 0.00 C ATOM 0 H LEU A 39 -5.878 3.836 4.334 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.263 2.539 3.862 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.038 4.023 6.389 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.477 3.329 5.994 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.706 5.644 4.476 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.169 7.083 5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.357 6.283 6.811 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.684 5.682 6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.396 5.982 3.686 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.881 4.538 4.589 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.021 4.379 3.232 1.00 0.00 H new ATOM 576 N ARG A 40 -3.755 0.847 5.821 1.00 0.00 N ATOM 577 CA ARG A 40 -4.205 -0.337 6.542 1.00 0.00 C ATOM 578 C ARG A 40 -3.516 -0.441 7.900 1.00 0.00 C ATOM 579 O ARG A 40 -2.289 -0.488 7.984 1.00 0.00 O ATOM 580 CB ARG A 40 -3.927 -1.597 5.721 1.00 0.00 C ATOM 581 CG ARG A 40 -4.962 -1.859 4.638 1.00 0.00 C ATOM 582 CD ARG A 40 -6.093 -2.738 5.149 1.00 0.00 C ATOM 583 NE ARG A 40 -7.357 -2.450 4.477 1.00 0.00 N ATOM 584 CZ ARG A 40 -8.348 -3.327 4.369 1.00 0.00 C ATOM 585 NH1 ARG A 40 -8.223 -4.541 4.888 1.00 0.00 N ATOM 586 NH2 ARG A 40 -9.468 -2.991 3.742 1.00 0.00 N ATOM 0 H ARG A 40 -2.741 0.947 5.764 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.279 -0.246 6.704 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.944 -1.510 5.259 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.889 -2.456 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.368 -0.911 4.284 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.484 -2.339 3.785 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.833 -3.786 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.211 -2.589 6.222 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.486 -1.524 4.068 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.364 -4.803 5.372 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.986 -5.213 4.804 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.568 -2.058 3.342 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.229 -3.666 3.660 1.00 0.00 H new ATOM 600 N VAL A 41 -4.315 -0.475 8.962 1.00 0.00 N ATOM 601 CA VAL A 41 -3.783 -0.574 10.316 1.00 0.00 C ATOM 602 C VAL A 41 -3.678 -2.028 10.761 1.00 0.00 C ATOM 603 O VAL A 41 -4.689 -2.705 10.951 1.00 0.00 O ATOM 604 CB VAL A 41 -4.660 0.197 11.321 1.00 0.00 C ATOM 605 CG1 VAL A 41 -4.056 0.134 12.715 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.839 1.640 10.874 1.00 0.00 C ATOM 0 H VAL A 41 -5.333 -0.435 8.911 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.788 -0.130 10.298 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.643 -0.274 11.355 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.689 0.684 13.411 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.984 -0.906 13.034 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.061 0.579 12.701 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.461 2.170 11.595 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.865 2.125 10.810 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.320 1.661 9.896 1.00 0.00 H new ATOM 616 N LEU A 42 -2.449 -2.503 10.926 1.00 0.00 N ATOM 617 CA LEU A 42 -2.210 -3.879 11.349 1.00 0.00 C ATOM 618 C LEU A 42 -2.859 -4.152 12.702 1.00 0.00 C ATOM 619 O LEU A 42 -3.139 -3.239 13.479 1.00 0.00 O ATOM 620 CB LEU A 42 -0.708 -4.156 11.426 1.00 0.00 C ATOM 621 CG LEU A 42 -0.002 -4.402 10.092 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.460 -4.754 10.319 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.703 -5.506 9.313 1.00 0.00 C ATOM 0 H LEU A 42 -1.602 -1.956 10.773 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.658 -4.544 10.610 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.228 -3.310 11.918 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.551 -5.026 12.063 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.047 -3.485 9.505 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.946 -4.926 9.359 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.956 -3.932 10.835 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.527 -5.657 10.926 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.187 -5.667 8.367 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.689 -6.427 9.895 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.735 -5.215 9.118 1.00 0.00 H new ATOM 635 N PRO A 43 -3.102 -5.438 12.993 1.00 0.00 N ATOM 636 CA PRO A 43 -3.718 -5.862 14.254 1.00 0.00 C ATOM 637 C PRO A 43 -2.789 -5.666 15.448 1.00 0.00 C ATOM 638 O PRO A 43 -3.106 -6.071 16.567 1.00 0.00 O ATOM 639 CB PRO A 43 -3.995 -7.351 14.031 1.00 0.00 C ATOM 640 CG PRO A 43 -2.999 -7.772 13.006 1.00 0.00 C ATOM 641 CD PRO A 43 -2.794 -6.579 12.114 1.00 0.00 C ATOM 0 HA PRO A 43 -4.609 -5.279 14.488 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.877 -7.918 14.954 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.015 -7.516 13.683 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.062 -8.075 13.474 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.363 -8.627 12.437 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.773 -6.531 11.736 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.454 -6.608 11.247 1.00 0.00 H new ATOM 649 N CYS A 44 -1.642 -5.042 15.202 1.00 0.00 N ATOM 650 CA CYS A 44 -0.666 -4.792 16.256 1.00 0.00 C ATOM 651 C CYS A 44 -0.558 -3.299 16.554 1.00 0.00 C ATOM 652 O CYS A 44 0.340 -2.863 17.273 1.00 0.00 O ATOM 653 CB CYS A 44 0.703 -5.344 15.855 1.00 0.00 C ATOM 654 SG CYS A 44 1.148 -5.034 14.115 1.00 0.00 S ATOM 0 H CYS A 44 -1.365 -4.700 14.282 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.005 -5.301 17.158 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.464 -4.902 16.498 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.717 -6.419 16.037 1.00 0.00 H new ATOM 0 HG CYS A 44 1.988 -4.044 14.052 1.00 0.00 H new ATOM 659 N ASN A 45 -1.480 -2.522 15.995 1.00 0.00 N ATOM 660 CA ASN A 45 -1.488 -1.078 16.200 1.00 0.00 C ATOM 661 C ASN A 45 -0.386 -0.406 15.387 1.00 0.00 C ATOM 662 O ASN A 45 0.442 0.327 15.929 1.00 0.00 O ATOM 663 CB ASN A 45 -1.313 -0.751 17.685 1.00 0.00 C ATOM 664 CG ASN A 45 -2.002 0.541 18.078 1.00 0.00 C ATOM 665 OD1 ASN A 45 -3.219 0.674 17.947 1.00 0.00 O ATOM 666 ND2 ASN A 45 -1.224 1.503 18.562 1.00 0.00 N ATOM 0 H ASN A 45 -2.231 -2.868 15.397 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.450 -0.694 15.861 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -1.713 -1.569 18.284 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.250 -0.677 17.915 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -1.631 2.395 18.842 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.220 1.349 18.653 1.00 0.00 H new ATOM 673 N HIS A 46 -0.382 -0.661 14.082 1.00 0.00 N ATOM 674 CA HIS A 46 0.618 -0.081 13.193 1.00 0.00 C ATOM 675 C HIS A 46 -0.005 0.309 11.856 1.00 0.00 C ATOM 676 O HIS A 46 -0.790 -0.446 11.283 1.00 0.00 O ATOM 677 CB HIS A 46 1.764 -1.067 12.967 1.00 0.00 C ATOM 678 CG HIS A 46 2.731 -1.134 14.108 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.329 -2.307 14.521 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.205 -0.165 14.925 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.127 -2.056 15.543 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.070 -0.763 15.808 1.00 0.00 N ATOM 0 H HIS A 46 -1.060 -1.265 13.617 1.00 0.00 H new ATOM 0 HA HIS A 46 1.011 0.818 13.667 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.349 -2.060 12.795 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.302 -0.785 12.062 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.950 0.884 14.889 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.724 -2.784 16.072 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.585 -0.286 16.548 1.00 0.00 H new ATOM 690 N GLU A 47 0.351 1.492 11.365 1.00 0.00 N ATOM 691 CA GLU A 47 -0.175 1.982 10.097 1.00 0.00 C ATOM 692 C GLU A 47 0.758 1.621 8.945 1.00 0.00 C ATOM 693 O GLU A 47 1.977 1.568 9.112 1.00 0.00 O ATOM 694 CB GLU A 47 -0.373 3.498 10.152 1.00 0.00 C ATOM 695 CG GLU A 47 -1.201 3.961 11.339 1.00 0.00 C ATOM 696 CD GLU A 47 -0.493 3.750 12.663 1.00 0.00 C ATOM 697 OE1 GLU A 47 0.716 4.055 12.743 1.00 0.00 O ATOM 698 OE2 GLU A 47 -1.146 3.281 13.618 1.00 0.00 O ATOM 0 H GLU A 47 1.001 2.128 11.826 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.139 1.504 9.924 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.603 3.982 10.189 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.857 3.826 9.232 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.437 5.019 11.222 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -2.149 3.422 11.348 1.00 0.00 H new ATOM 705 N PHE A 48 0.178 1.373 7.776 1.00 0.00 N ATOM 706 CA PHE A 48 0.957 1.016 6.596 1.00 0.00 C ATOM 707 C PHE A 48 0.257 1.479 5.321 1.00 0.00 C ATOM 708 O PHE A 48 -0.872 1.969 5.363 1.00 0.00 O ATOM 709 CB PHE A 48 1.182 -0.496 6.547 1.00 0.00 C ATOM 710 CG PHE A 48 1.925 -1.031 7.737 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.311 -1.037 7.761 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.238 -1.528 8.833 1.00 0.00 C ATOM 713 CE1 PHE A 48 3.997 -1.527 8.856 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.920 -2.019 9.931 1.00 0.00 C ATOM 715 CZ PHE A 48 3.301 -2.020 9.941 1.00 0.00 C ATOM 0 H PHE A 48 -0.829 1.413 7.620 1.00 0.00 H new ATOM 0 HA PHE A 48 1.922 1.519 6.662 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.216 -0.997 6.477 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.736 -0.744 5.642 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.861 -0.654 6.914 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.158 -1.532 8.830 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.077 -1.524 8.863 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.373 -2.401 10.780 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.835 -2.406 10.796 1.00 0.00 H new ATOM 725 N HIS A 49 0.935 1.320 4.189 1.00 0.00 N ATOM 726 CA HIS A 49 0.379 1.721 2.902 1.00 0.00 C ATOM 727 C HIS A 49 -0.420 0.582 2.276 1.00 0.00 C ATOM 728 O HIS A 49 0.143 -0.438 1.879 1.00 0.00 O ATOM 729 CB HIS A 49 1.497 2.157 1.954 1.00 0.00 C ATOM 730 CG HIS A 49 1.817 3.618 2.036 1.00 0.00 C ATOM 731 ND1 HIS A 49 3.097 4.116 1.912 1.00 0.00 N ATOM 732 CD2 HIS A 49 1.014 4.690 2.229 1.00 0.00 C ATOM 733 CE1 HIS A 49 3.068 5.431 2.028 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.816 5.805 2.220 1.00 0.00 N ATOM 0 H HIS A 49 1.870 0.916 4.137 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.293 2.562 3.071 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.396 1.583 2.178 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.210 1.913 0.931 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.935 3.556 1.755 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.057 4.672 2.365 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.923 6.089 1.975 1.00 0.00 H new ATOM 742 N ALA A 50 -1.734 0.763 2.193 1.00 0.00 N ATOM 743 CA ALA A 50 -2.609 -0.249 1.615 1.00 0.00 C ATOM 744 C ALA A 50 -1.943 -0.938 0.429 1.00 0.00 C ATOM 745 O ALA A 50 -2.225 -2.100 0.135 1.00 0.00 O ATOM 746 CB ALA A 50 -3.930 0.376 1.192 1.00 0.00 C ATOM 0 H ALA A 50 -2.216 1.601 2.519 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.804 -1.004 2.377 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.574 -0.391 0.762 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.419 0.815 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.744 1.152 0.449 1.00 0.00 H new ATOM 752 N LYS A 51 -1.059 -0.215 -0.249 1.00 0.00 N ATOM 753 CA LYS A 51 -0.352 -0.757 -1.404 1.00 0.00 C ATOM 754 C LYS A 51 0.896 -1.518 -0.969 1.00 0.00 C ATOM 755 O LYS A 51 1.153 -2.628 -1.436 1.00 0.00 O ATOM 756 CB LYS A 51 0.034 0.369 -2.365 1.00 0.00 C ATOM 757 CG LYS A 51 0.873 1.459 -1.721 1.00 0.00 C ATOM 758 CD LYS A 51 1.139 2.603 -2.686 1.00 0.00 C ATOM 759 CE LYS A 51 1.491 3.885 -1.947 1.00 0.00 C ATOM 760 NZ LYS A 51 0.279 4.678 -1.604 1.00 0.00 N ATOM 0 H LYS A 51 -0.815 0.748 -0.019 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.020 -1.450 -1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.586 -0.054 -3.204 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.874 0.814 -2.773 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.361 1.839 -0.837 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.820 1.039 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.955 2.333 -3.357 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.258 2.769 -3.306 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.035 3.641 -1.035 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.157 4.488 -2.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 0.561 5.544 -1.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.227 4.933 -2.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.345 4.112 -0.995 1.00 0.00 H new ATOM 774 N CYS A 52 1.669 -0.916 -0.071 1.00 0.00 N ATOM 775 CA CYS A 52 2.889 -1.537 0.428 1.00 0.00 C ATOM 776 C CYS A 52 2.571 -2.802 1.220 1.00 0.00 C ATOM 777 O CYS A 52 2.964 -3.904 0.836 1.00 0.00 O ATOM 778 CB CYS A 52 3.665 -0.554 1.307 1.00 0.00 C ATOM 779 SG CYS A 52 4.186 0.964 0.444 1.00 0.00 S ATOM 0 H CYS A 52 1.471 0.002 0.326 1.00 0.00 H new ATOM 0 HA CYS A 52 3.504 -1.811 -0.429 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.045 -0.279 2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.548 -1.056 1.702 1.00 0.00 H new ATOM 0 HG CYS A 52 5.074 1.587 1.160 1.00 0.00 H new ATOM 784 N VAL A 53 1.857 -2.636 2.329 1.00 0.00 N ATOM 785 CA VAL A 53 1.485 -3.763 3.175 1.00 0.00 C ATOM 786 C VAL A 53 0.950 -4.923 2.342 1.00 0.00 C ATOM 787 O VAL A 53 1.111 -6.088 2.705 1.00 0.00 O ATOM 788 CB VAL A 53 0.421 -3.359 4.213 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.918 -3.109 3.537 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.294 -4.427 5.289 1.00 0.00 C ATOM 0 H VAL A 53 1.525 -1.731 2.662 1.00 0.00 H new ATOM 0 HA VAL A 53 2.389 -4.079 3.696 1.00 0.00 H new ATOM 0 HB VAL A 53 0.738 -2.431 4.690 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.657 -2.825 4.287 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.813 -2.305 2.808 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.245 -4.017 3.031 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.462 -4.125 6.014 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.001 -5.372 4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.252 -4.550 5.794 1.00 0.00 H new ATOM 800 N ASP A 54 0.314 -4.595 1.223 1.00 0.00 N ATOM 801 CA ASP A 54 -0.244 -5.609 0.335 1.00 0.00 C ATOM 802 C ASP A 54 0.851 -6.531 -0.192 1.00 0.00 C ATOM 803 O ASP A 54 0.826 -7.740 0.042 1.00 0.00 O ATOM 804 CB ASP A 54 -0.978 -4.948 -0.832 1.00 0.00 C ATOM 805 CG ASP A 54 -1.497 -5.959 -1.836 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.085 -6.973 -1.407 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.314 -5.736 -3.052 1.00 0.00 O ATOM 0 H ASP A 54 0.172 -3.635 0.909 1.00 0.00 H new ATOM 0 HA ASP A 54 -0.953 -6.207 0.907 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.812 -4.361 -0.447 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.305 -4.254 -1.335 1.00 0.00 H new ATOM 812 N LYS A 55 1.811 -5.953 -0.905 1.00 0.00 N ATOM 813 CA LYS A 55 2.916 -6.722 -1.467 1.00 0.00 C ATOM 814 C LYS A 55 3.718 -7.406 -0.364 1.00 0.00 C ATOM 815 O LYS A 55 4.056 -8.585 -0.471 1.00 0.00 O ATOM 816 CB LYS A 55 3.832 -5.812 -2.288 1.00 0.00 C ATOM 817 CG LYS A 55 3.355 -5.595 -3.714 1.00 0.00 C ATOM 818 CD LYS A 55 2.126 -4.702 -3.761 1.00 0.00 C ATOM 819 CE LYS A 55 1.508 -4.678 -5.151 1.00 0.00 C ATOM 820 NZ LYS A 55 2.208 -3.720 -6.052 1.00 0.00 N ATOM 0 H LYS A 55 1.847 -4.954 -1.108 1.00 0.00 H new ATOM 0 HA LYS A 55 2.498 -7.489 -2.118 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.912 -4.846 -1.790 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.833 -6.243 -2.310 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.155 -5.145 -4.302 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.125 -6.557 -4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.389 -5.057 -3.040 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.399 -3.689 -3.465 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.547 -5.678 -5.583 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.456 -4.404 -5.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 1.758 -3.733 -6.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.149 -2.762 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.206 -3.996 -6.144 1.00 0.00 H new ATOM 834 N TRP A 56 4.017 -6.661 0.693 1.00 0.00 N ATOM 835 CA TRP A 56 4.778 -7.197 1.816 1.00 0.00 C ATOM 836 C TRP A 56 4.138 -8.475 2.346 1.00 0.00 C ATOM 837 O TRP A 56 4.743 -9.548 2.305 1.00 0.00 O ATOM 838 CB TRP A 56 4.877 -6.159 2.934 1.00 0.00 C ATOM 839 CG TRP A 56 5.516 -6.689 4.182 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.878 -7.112 5.313 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.917 -6.850 4.425 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.799 -7.527 6.245 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.057 -7.377 5.724 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.068 -6.603 3.671 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.301 -7.659 6.283 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.301 -6.883 4.228 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.410 -7.406 5.523 1.00 0.00 C ATOM 0 H TRP A 56 3.744 -5.684 0.797 1.00 0.00 H new ATOM 0 HA TRP A 56 5.781 -7.435 1.462 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.450 -5.304 2.576 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.877 -5.796 3.172 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.807 -7.119 5.454 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.581 -7.888 7.174 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.995 -6.201 2.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.387 -8.063 7.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.197 -6.695 3.655 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.389 -7.614 5.929 1.00 0.00 H new ATOM 858 N LEU A 57 2.912 -8.355 2.843 1.00 0.00 N ATOM 859 CA LEU A 57 2.189 -9.502 3.382 1.00 0.00 C ATOM 860 C LEU A 57 2.370 -10.727 2.491 1.00 0.00 C ATOM 861 O LEU A 57 2.685 -11.817 2.971 1.00 0.00 O ATOM 862 CB LEU A 57 0.702 -9.173 3.520 1.00 0.00 C ATOM 863 CG LEU A 57 0.332 -8.192 4.633 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.115 -7.746 4.492 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.567 -8.821 5.999 1.00 0.00 C ATOM 0 H LEU A 57 2.398 -7.475 2.884 1.00 0.00 H new ATOM 0 HA LEU A 57 2.598 -9.728 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.351 -8.765 2.572 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.159 -10.103 3.687 1.00 0.00 H new ATOM 0 HG LEU A 57 0.972 -7.314 4.544 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.360 -7.048 5.293 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.252 -7.255 3.528 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.771 -8.614 4.554 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.298 -8.108 6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.047 -9.716 6.098 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.619 -9.090 6.100 1.00 0.00 H new ATOM 877 N LYS A 58 2.171 -10.541 1.191 1.00 0.00 N ATOM 878 CA LYS A 58 2.316 -11.629 0.231 1.00 0.00 C ATOM 879 C LYS A 58 3.640 -12.359 0.430 1.00 0.00 C ATOM 880 O LYS A 58 3.720 -13.576 0.266 1.00 0.00 O ATOM 881 CB LYS A 58 2.228 -11.090 -1.199 1.00 0.00 C ATOM 882 CG LYS A 58 0.827 -11.138 -1.782 1.00 0.00 C ATOM 883 CD LYS A 58 0.796 -10.605 -3.205 1.00 0.00 C ATOM 884 CE LYS A 58 0.491 -9.115 -3.235 1.00 0.00 C ATOM 885 NZ LYS A 58 -0.974 -8.850 -3.279 1.00 0.00 N ATOM 0 H LYS A 58 1.909 -9.646 0.777 1.00 0.00 H new ATOM 0 HA LYS A 58 1.504 -12.337 0.397 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.583 -10.059 -1.212 1.00 0.00 H new ATOM 0 HB3 LYS A 58 2.898 -11.666 -1.837 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.462 -12.165 -1.769 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.152 -10.552 -1.158 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.757 -10.791 -3.685 1.00 0.00 H new ATOM 0 HD3 LYS A 58 0.043 -11.143 -3.780 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.920 -8.639 -2.353 1.00 0.00 H new ATOM 0 HE3 LYS A 58 0.968 -8.664 -4.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -1.193 -8.247 -4.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -1.487 -9.750 -3.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -1.266 -8.368 -2.405 1.00 0.00 H new ATOM 899 N ALA A 59 4.677 -11.607 0.788 1.00 0.00 N ATOM 900 CA ALA A 59 5.996 -12.183 1.013 1.00 0.00 C ATOM 901 C ALA A 59 6.138 -12.686 2.446 1.00 0.00 C ATOM 902 O ALA A 59 6.601 -13.802 2.679 1.00 0.00 O ATOM 903 CB ALA A 59 7.079 -11.161 0.701 1.00 0.00 C ATOM 0 H ALA A 59 4.628 -10.598 0.928 1.00 0.00 H new ATOM 0 HA ALA A 59 6.112 -13.035 0.343 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.059 -11.605 0.874 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.999 -10.853 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.956 -10.292 1.347 1.00 0.00 H new ATOM 909 N ASN A 60 5.738 -11.855 3.402 1.00 0.00 N ATOM 910 CA ASN A 60 5.822 -12.216 4.813 1.00 0.00 C ATOM 911 C ASN A 60 4.501 -11.940 5.524 1.00 0.00 C ATOM 912 O ASN A 60 4.051 -10.797 5.599 1.00 0.00 O ATOM 913 CB ASN A 60 6.952 -11.440 5.492 1.00 0.00 C ATOM 914 CG ASN A 60 8.321 -11.844 4.980 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.969 -12.728 5.540 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.767 -11.196 3.910 1.00 0.00 N ATOM 0 H ASN A 60 5.353 -10.927 3.226 1.00 0.00 H new ATOM 0 HA ASN A 60 6.033 -13.283 4.878 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.806 -10.373 5.327 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.907 -11.605 6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.681 -11.424 3.520 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.195 -10.470 3.478 1.00 0.00 H new ATOM 923 N ARG A 61 3.885 -12.996 6.047 1.00 0.00 N ATOM 924 CA ARG A 61 2.615 -12.868 6.752 1.00 0.00 C ATOM 925 C ARG A 61 2.830 -12.342 8.168 1.00 0.00 C ATOM 926 O ARG A 61 2.264 -12.863 9.129 1.00 0.00 O ATOM 927 CB ARG A 61 1.897 -14.218 6.802 1.00 0.00 C ATOM 928 CG ARG A 61 2.600 -15.250 7.668 1.00 0.00 C ATOM 929 CD ARG A 61 2.172 -16.664 7.308 1.00 0.00 C ATOM 930 NE ARG A 61 2.868 -17.667 8.109 1.00 0.00 N ATOM 931 CZ ARG A 61 2.586 -17.914 9.384 1.00 0.00 C ATOM 932 NH1 ARG A 61 1.628 -17.235 9.998 1.00 0.00 N ATOM 933 NH2 ARG A 61 3.264 -18.843 10.046 1.00 0.00 N ATOM 0 H ARG A 61 4.245 -13.949 5.996 1.00 0.00 H new ATOM 0 HA ARG A 61 1.996 -12.155 6.208 1.00 0.00 H new ATOM 0 HB2 ARG A 61 0.885 -14.068 7.179 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.805 -14.609 5.789 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.679 -15.153 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 61 2.378 -15.058 8.718 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.097 -16.766 7.454 1.00 0.00 H new ATOM 0 HD3 ARG A 61 2.368 -16.844 6.251 1.00 0.00 H new ATOM 0 HE ARG A 61 3.611 -18.207 7.666 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.105 -16.521 9.492 1.00 0.00 H new ATOM 0 HH12 ARG A 61 1.414 -17.427 10.977 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.002 -19.368 9.576 1.00 0.00 H new ATOM 0 HH22 ARG A 61 3.047 -19.032 11.025 1.00 0.00 H new ATOM 947 N THR A 62 3.654 -11.305 8.290 1.00 0.00 N ATOM 948 CA THR A 62 3.945 -10.709 9.587 1.00 0.00 C ATOM 949 C THR A 62 4.153 -9.203 9.467 1.00 0.00 C ATOM 950 O THR A 62 4.253 -8.667 8.363 1.00 0.00 O ATOM 951 CB THR A 62 5.197 -11.339 10.226 1.00 0.00 C ATOM 952 OG1 THR A 62 6.326 -11.170 9.361 1.00 0.00 O ATOM 953 CG2 THR A 62 4.979 -12.819 10.500 1.00 0.00 C ATOM 0 H THR A 62 4.131 -10.861 7.505 1.00 0.00 H new ATOM 0 HA THR A 62 3.083 -10.904 10.225 1.00 0.00 H new ATOM 0 HB THR A 62 5.387 -10.835 11.174 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.118 -11.572 9.775 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.877 -13.242 10.951 1.00 0.00 H new ATOM 0 HG22 THR A 62 4.138 -12.943 11.182 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.766 -13.335 9.564 1.00 0.00 H new ATOM 961 N CYS A 63 4.217 -8.526 10.608 1.00 0.00 N ATOM 962 CA CYS A 63 4.413 -7.082 10.631 1.00 0.00 C ATOM 963 C CYS A 63 5.889 -6.731 10.462 1.00 0.00 C ATOM 964 O CYS A 63 6.751 -7.182 11.216 1.00 0.00 O ATOM 965 CB CYS A 63 3.886 -6.496 11.942 1.00 0.00 C ATOM 966 SG CYS A 63 4.191 -4.710 12.134 1.00 0.00 S ATOM 0 H CYS A 63 4.136 -8.955 11.530 1.00 0.00 H new ATOM 0 HA CYS A 63 3.857 -6.651 9.798 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.813 -6.679 12.004 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.349 -7.024 12.776 1.00 0.00 H new ATOM 0 HG CYS A 63 4.704 -4.237 11.037 1.00 0.00 H new ATOM 971 N PRO A 64 6.187 -5.905 9.447 1.00 0.00 N ATOM 972 CA PRO A 64 7.557 -5.474 9.155 1.00 0.00 C ATOM 973 C PRO A 64 8.106 -4.527 10.216 1.00 0.00 C ATOM 974 O PRO A 64 9.172 -3.935 10.042 1.00 0.00 O ATOM 975 CB PRO A 64 7.423 -4.752 7.812 1.00 0.00 C ATOM 976 CG PRO A 64 6.007 -4.289 7.770 1.00 0.00 C ATOM 977 CD PRO A 64 5.210 -5.329 8.508 1.00 0.00 C ATOM 0 HA PRO A 64 8.253 -6.313 9.136 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.116 -3.913 7.743 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.646 -5.420 6.980 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.902 -3.311 8.240 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.660 -4.188 6.742 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.361 -4.888 9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.810 -6.084 7.831 1.00 0.00 H new ATOM 985 N ILE A 65 7.372 -4.388 11.315 1.00 0.00 N ATOM 986 CA ILE A 65 7.787 -3.514 12.405 1.00 0.00 C ATOM 987 C ILE A 65 8.051 -4.309 13.678 1.00 0.00 C ATOM 988 O ILE A 65 9.192 -4.424 14.127 1.00 0.00 O ATOM 989 CB ILE A 65 6.726 -2.436 12.697 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.380 -1.670 11.418 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.222 -1.483 13.774 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.398 -0.541 11.637 1.00 0.00 C ATOM 0 H ILE A 65 6.487 -4.870 11.474 1.00 0.00 H new ATOM 0 HA ILE A 65 8.709 -3.028 12.086 1.00 0.00 H new ATOM 0 HB ILE A 65 5.822 -2.925 13.060 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.296 -1.266 10.987 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.965 -2.366 10.689 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.461 -0.727 13.969 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.423 -2.041 14.689 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.138 -0.998 13.437 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.199 -0.043 10.688 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.467 -0.941 12.039 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.819 0.176 12.342 1.00 0.00 H new ATOM 1004 N CYS A 66 6.988 -4.860 14.256 1.00 0.00 N ATOM 1005 CA CYS A 66 7.104 -5.648 15.477 1.00 0.00 C ATOM 1006 C CYS A 66 7.025 -7.141 15.172 1.00 0.00 C ATOM 1007 O CYS A 66 6.671 -7.944 16.035 1.00 0.00 O ATOM 1008 CB CYS A 66 6.001 -5.260 16.465 1.00 0.00 C ATOM 1009 SG CYS A 66 4.315 -5.608 15.871 1.00 0.00 S ATOM 0 H CYS A 66 6.037 -4.775 13.898 1.00 0.00 H new ATOM 0 HA CYS A 66 8.076 -5.438 15.924 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.162 -5.794 17.401 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.084 -4.196 16.687 1.00 0.00 H new ATOM 0 HG CYS A 66 4.231 -5.315 14.607 1.00 0.00 H new ATOM 1014 N ARG A 67 7.359 -7.505 13.938 1.00 0.00 N ATOM 1015 CA ARG A 67 7.326 -8.900 13.518 1.00 0.00 C ATOM 1016 C ARG A 67 6.159 -9.636 14.168 1.00 0.00 C ATOM 1017 O ARG A 67 6.229 -10.841 14.410 1.00 0.00 O ATOM 1018 CB ARG A 67 8.643 -9.594 13.874 1.00 0.00 C ATOM 1019 CG ARG A 67 9.780 -9.268 12.921 1.00 0.00 C ATOM 1020 CD ARG A 67 10.518 -8.007 13.344 1.00 0.00 C ATOM 1021 NE ARG A 67 11.425 -7.528 12.305 1.00 0.00 N ATOM 1022 CZ ARG A 67 12.469 -6.742 12.545 1.00 0.00 C ATOM 1023 NH1 ARG A 67 12.736 -6.349 13.783 1.00 0.00 N ATOM 1024 NH2 ARG A 67 13.249 -6.349 11.546 1.00 0.00 N ATOM 0 H ARG A 67 7.655 -6.853 13.212 1.00 0.00 H new ATOM 0 HA ARG A 67 7.191 -8.924 12.437 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.934 -9.307 14.885 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.485 -10.672 13.882 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.478 -10.105 12.886 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.386 -9.139 11.913 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.795 -7.227 13.582 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.083 -8.206 14.255 1.00 0.00 H new ATOM 0 HE ARG A 67 11.247 -7.812 11.342 1.00 0.00 H new ATOM 0 HH11 ARG A 67 12.139 -6.650 14.554 1.00 0.00 H new ATOM 0 HH12 ARG A 67 13.538 -5.746 13.965 1.00 0.00 H new ATOM 0 HH21 ARG A 67 13.047 -6.650 10.593 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.050 -5.746 11.731 1.00 0.00 H new ATOM 1038 N ALA A 68 5.086 -8.903 14.449 1.00 0.00 N ATOM 1039 CA ALA A 68 3.904 -9.486 15.070 1.00 0.00 C ATOM 1040 C ALA A 68 3.017 -10.165 14.031 1.00 0.00 C ATOM 1041 O ALA A 68 2.293 -9.500 13.290 1.00 0.00 O ATOM 1042 CB ALA A 68 3.120 -8.419 15.819 1.00 0.00 C ATOM 0 H ALA A 68 5.012 -7.904 14.256 1.00 0.00 H new ATOM 0 HA ALA A 68 4.234 -10.244 15.780 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.240 -8.869 16.278 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.750 -7.982 16.594 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.808 -7.641 15.123 1.00 0.00 H new ATOM 1048 N ASP A 69 3.079 -11.491 13.983 1.00 0.00 N ATOM 1049 CA ASP A 69 2.280 -12.260 13.035 1.00 0.00 C ATOM 1050 C ASP A 69 0.928 -11.596 12.800 1.00 0.00 C ATOM 1051 O ASP A 69 0.242 -11.207 13.746 1.00 0.00 O ATOM 1052 CB ASP A 69 2.080 -13.688 13.545 1.00 0.00 C ATOM 1053 CG ASP A 69 1.537 -14.614 12.475 1.00 0.00 C ATOM 1054 OD1 ASP A 69 0.570 -14.223 11.787 1.00 0.00 O ATOM 1055 OD2 ASP A 69 2.078 -15.730 12.325 1.00 0.00 O ATOM 0 H ASP A 69 3.674 -12.056 14.589 1.00 0.00 H new ATOM 0 HA ASP A 69 2.817 -12.293 12.087 1.00 0.00 H new ATOM 0 HB2 ASP A 69 3.031 -14.077 13.910 1.00 0.00 H new ATOM 0 HB3 ASP A 69 1.395 -13.675 14.392 1.00 0.00 H new ATOM 1060 N SER A 70 0.550 -11.467 11.532 1.00 0.00 N ATOM 1061 CA SER A 70 -0.719 -10.845 11.172 1.00 0.00 C ATOM 1062 C SER A 70 -1.839 -11.881 11.127 1.00 0.00 C ATOM 1063 O SER A 70 -2.680 -11.864 10.229 1.00 0.00 O ATOM 1064 CB SER A 70 -0.602 -10.146 9.816 1.00 0.00 C ATOM 1065 OG SER A 70 -1.810 -9.490 9.475 1.00 0.00 O ATOM 0 H SER A 70 1.104 -11.785 10.737 1.00 0.00 H new ATOM 0 HA SER A 70 -0.962 -10.105 11.935 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.213 -9.422 9.845 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.352 -10.877 9.047 1.00 0.00 H new ATOM 0 HG SER A 70 -2.558 -10.118 9.557 1.00 0.00 H new