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 99:sc= -0.544 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.0729 K(o=-3.5,f=-4.6) USER MOD Set 1.3: A 63 CYS SG : rot 0:sc= -3.17! USER MOD Set 1.4: A 66 CYS SG : rot -41:sc= 0.13 USER MOD Set 2.1: A 26 CYS SG : rot 60:sc= -0.311 USER MOD Set 2.2: A 29 CYS SG : rot -51:sc= -0.671 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.47 K(o=-4.1,f=-5.3) USER MOD Set 2.4: A 52 CYS SG : rot -166:sc= -1.63! USER MOD Single : A 12 TYR OH : rot 123:sc= 0.623 USER MOD Single : A 24 THR OG1 : rot 44:sc= 1.17 USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 CYS SG : rot 70:sc= 1.13 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.327 K(o=-0.33,f=-3.8!) USER MOD Single : A 45 ASN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 51 LYS NZ :NH3+ -145:sc= -1.64! (180deg=-3.94!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.212) 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 -130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 127 N TYR A 12 -9.262 3.807 6.283 1.00 0.00 N ATOM 128 CA TYR A 12 -9.511 5.200 6.634 1.00 0.00 C ATOM 129 C TYR A 12 -8.534 6.126 5.916 1.00 0.00 C ATOM 130 O TYR A 12 -7.376 5.772 5.694 1.00 0.00 O ATOM 131 CB TYR A 12 -9.396 5.394 8.147 1.00 0.00 C ATOM 132 CG TYR A 12 -7.990 5.693 8.615 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.527 7.001 8.692 1.00 0.00 C ATOM 134 CD2 TYR A 12 -7.124 4.669 8.977 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.242 7.280 9.118 1.00 0.00 C ATOM 136 CE2 TYR A 12 -5.839 4.938 9.406 1.00 0.00 C ATOM 137 CZ TYR A 12 -5.402 6.245 9.474 1.00 0.00 C ATOM 138 OH TYR A 12 -4.122 6.517 9.899 1.00 0.00 O ATOM 0 HA TYR A 12 -10.523 5.453 6.317 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.052 6.210 8.451 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -9.753 4.494 8.648 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.182 7.813 8.414 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -7.461 3.645 8.922 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -5.898 8.302 9.172 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -5.180 4.130 9.687 1.00 0.00 H new ATOM 0 HH TYR A 12 -3.984 6.131 10.789 1.00 0.00 H new ATOM 148 N ARG A 13 -9.010 7.313 5.557 1.00 0.00 N ATOM 149 CA ARG A 13 -8.180 8.291 4.863 1.00 0.00 C ATOM 150 C ARG A 13 -7.419 9.162 5.858 1.00 0.00 C ATOM 151 O ARG A 13 -7.964 9.571 6.884 1.00 0.00 O ATOM 152 CB ARG A 13 -9.041 9.169 3.954 1.00 0.00 C ATOM 153 CG ARG A 13 -9.325 8.548 2.596 1.00 0.00 C ATOM 154 CD ARG A 13 -10.514 9.210 1.918 1.00 0.00 C ATOM 155 NE ARG A 13 -10.376 10.663 1.867 1.00 0.00 N ATOM 156 CZ ARG A 13 -11.234 11.461 1.242 1.00 0.00 C ATOM 157 NH1 ARG A 13 -12.286 10.950 0.618 1.00 0.00 N ATOM 158 NH2 ARG A 13 -11.040 12.774 1.240 1.00 0.00 N ATOM 0 H ARG A 13 -9.966 7.621 5.735 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.457 7.749 4.254 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -9.987 9.376 4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.541 10.126 3.808 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.444 8.641 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.520 7.482 2.716 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.617 8.820 0.905 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -11.427 8.951 2.454 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.577 11.088 2.337 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.438 9.941 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.943 11.565 0.139 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.231 13.171 1.719 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.699 13.386 0.760 1.00 0.00 H new ATOM 172 N PHE A 14 -6.158 9.442 5.549 1.00 0.00 N ATOM 173 CA PHE A 14 -5.322 10.263 6.417 1.00 0.00 C ATOM 174 C PHE A 14 -5.882 11.678 6.531 1.00 0.00 C ATOM 175 O PHE A 14 -6.028 12.381 5.533 1.00 0.00 O ATOM 176 CB PHE A 14 -3.889 10.311 5.883 1.00 0.00 C ATOM 177 CG PHE A 14 -3.003 11.268 6.628 1.00 0.00 C ATOM 178 CD1 PHE A 14 -3.080 12.631 6.392 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.093 10.804 7.564 1.00 0.00 C ATOM 180 CE1 PHE A 14 -2.267 13.515 7.077 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.277 11.683 8.252 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.364 13.040 8.008 1.00 0.00 C ATOM 0 H PHE A 14 -5.692 9.112 4.704 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.318 9.812 7.409 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.457 9.312 5.936 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.911 10.593 4.830 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -3.784 13.008 5.664 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.020 9.744 7.758 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.338 14.575 6.884 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -0.572 11.309 8.980 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.727 13.728 8.544 1.00 0.00 H new ATOM 326 N THR A 24 2.726 8.045 12.609 1.00 0.00 N ATOM 327 CA THR A 24 2.248 7.469 11.359 1.00 0.00 C ATOM 328 C THR A 24 3.370 7.378 10.331 1.00 0.00 C ATOM 329 O THR A 24 3.713 8.368 9.683 1.00 0.00 O ATOM 330 CB THR A 24 1.090 8.294 10.767 1.00 0.00 C ATOM 331 OG1 THR A 24 1.544 9.613 10.443 1.00 0.00 O ATOM 332 CG2 THR A 24 -0.070 8.379 11.747 1.00 0.00 C ATOM 0 HA THR A 24 1.889 6.466 11.590 1.00 0.00 H new ATOM 0 HB THR A 24 0.744 7.796 9.861 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.419 9.559 10.004 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.876 8.966 11.307 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.432 7.375 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.266 8.856 12.668 1.00 0.00 H new ATOM 340 N LEU A 25 3.938 6.186 10.185 1.00 0.00 N ATOM 341 CA LEU A 25 5.021 5.966 9.234 1.00 0.00 C ATOM 342 C LEU A 25 4.914 4.584 8.596 1.00 0.00 C ATOM 343 O LEU A 25 4.480 3.626 9.236 1.00 0.00 O ATOM 344 CB LEU A 25 6.375 6.115 9.930 1.00 0.00 C ATOM 345 CG LEU A 25 7.606 6.060 9.024 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.781 6.773 9.675 1.00 0.00 C ATOM 347 CD2 LEU A 25 7.967 4.618 8.701 1.00 0.00 C ATOM 0 H LEU A 25 3.666 5.357 10.713 1.00 0.00 H new ATOM 0 HA LEU A 25 4.939 6.716 8.448 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.384 7.065 10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.464 5.328 10.679 1.00 0.00 H new ATOM 0 HG LEU A 25 7.369 6.572 8.091 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.647 6.723 9.016 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.520 7.816 9.853 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.019 6.291 10.623 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.845 4.599 8.055 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.184 4.082 9.625 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.131 4.139 8.191 1.00 0.00 H new ATOM 359 N CYS A 26 5.314 4.489 7.333 1.00 0.00 N ATOM 360 CA CYS A 26 5.265 3.225 6.608 1.00 0.00 C ATOM 361 C CYS A 26 6.639 2.562 6.578 1.00 0.00 C ATOM 362 O CYS A 26 7.495 2.918 5.767 1.00 0.00 O ATOM 363 CB CYS A 26 4.764 3.451 5.180 1.00 0.00 C ATOM 364 SG CYS A 26 4.561 1.920 4.213 1.00 0.00 S ATOM 0 H CYS A 26 5.676 5.273 6.790 1.00 0.00 H new ATOM 0 HA CYS A 26 4.573 2.563 7.128 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.808 3.972 5.220 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.463 4.106 4.660 1.00 0.00 H new ATOM 0 HG CYS A 26 3.701 1.145 4.803 1.00 0.00 H new ATOM 369 N VAL A 27 6.843 1.595 7.467 1.00 0.00 N ATOM 370 CA VAL A 27 8.112 0.880 7.542 1.00 0.00 C ATOM 371 C VAL A 27 8.479 0.269 6.194 1.00 0.00 C ATOM 372 O VAL A 27 9.654 0.192 5.834 1.00 0.00 O ATOM 373 CB VAL A 27 8.067 -0.235 8.603 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.582 -1.538 7.988 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.434 -0.415 9.245 1.00 0.00 C ATOM 0 H VAL A 27 6.146 1.289 8.145 1.00 0.00 H new ATOM 0 HA VAL A 27 8.870 1.610 7.826 1.00 0.00 H new ATOM 0 HB VAL A 27 7.361 0.056 9.381 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.557 -2.314 8.753 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.581 -1.398 7.580 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.260 -1.838 7.189 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.384 -1.207 9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.163 -0.684 8.480 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.737 0.516 9.723 1.00 0.00 H new ATOM 385 N VAL A 28 7.465 -0.164 5.451 1.00 0.00 N ATOM 386 CA VAL A 28 7.680 -0.767 4.142 1.00 0.00 C ATOM 387 C VAL A 28 8.537 0.131 3.257 1.00 0.00 C ATOM 388 O VAL A 28 9.654 -0.231 2.883 1.00 0.00 O ATOM 389 CB VAL A 28 6.345 -1.049 3.427 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.576 -1.868 2.166 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.379 -1.758 4.364 1.00 0.00 C ATOM 0 H VAL A 28 6.487 -0.108 5.734 1.00 0.00 H new ATOM 0 HA VAL A 28 8.200 -1.710 4.310 1.00 0.00 H new ATOM 0 HB VAL A 28 5.901 -0.097 3.136 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.621 -2.057 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.229 -1.318 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.043 -2.817 2.429 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.441 -1.950 3.843 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.814 -2.704 4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.189 -1.130 5.234 1.00 0.00 H new ATOM 401 N CYS A 29 8.009 1.304 2.925 1.00 0.00 N ATOM 402 CA CYS A 29 8.725 2.255 2.084 1.00 0.00 C ATOM 403 C CYS A 29 9.287 3.403 2.918 1.00 0.00 C ATOM 404 O CYS A 29 9.583 4.477 2.395 1.00 0.00 O ATOM 405 CB CYS A 29 7.798 2.806 0.998 1.00 0.00 C ATOM 406 SG CYS A 29 6.381 3.753 1.639 1.00 0.00 S ATOM 0 H CYS A 29 7.087 1.619 3.226 1.00 0.00 H new ATOM 0 HA CYS A 29 9.556 1.731 1.612 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.377 3.445 0.332 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.425 1.976 0.398 1.00 0.00 H new ATOM 0 HG CYS A 29 5.769 3.055 2.549 1.00 0.00 H new ATOM 411 N MET A 30 9.430 3.168 4.218 1.00 0.00 N ATOM 412 CA MET A 30 9.958 4.181 5.124 1.00 0.00 C ATOM 413 C MET A 30 9.525 5.578 4.689 1.00 0.00 C ATOM 414 O MET A 30 10.359 6.462 4.489 1.00 0.00 O ATOM 415 CB MET A 30 11.484 4.101 5.180 1.00 0.00 C ATOM 416 CG MET A 30 12.004 2.819 5.810 1.00 0.00 C ATOM 417 SD MET A 30 11.367 2.557 7.477 1.00 0.00 S ATOM 418 CE MET A 30 12.879 2.637 8.433 1.00 0.00 C ATOM 0 H MET A 30 9.188 2.285 4.668 1.00 0.00 H new ATOM 0 HA MET A 30 9.556 3.988 6.118 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.881 4.186 4.168 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.864 4.953 5.744 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.728 1.972 5.182 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.093 2.850 5.842 1.00 0.00 H new ATOM 0 HE1 MET A 30 12.650 2.492 9.489 1.00 0.00 H new ATOM 0 HE2 MET A 30 13.562 1.856 8.100 1.00 0.00 H new ATOM 0 HE3 MET A 30 13.347 3.612 8.293 1.00 0.00 H new ATOM 428 N CYS A 31 8.219 5.769 4.544 1.00 0.00 N ATOM 429 CA CYS A 31 7.676 7.059 4.131 1.00 0.00 C ATOM 430 C CYS A 31 6.361 7.349 4.847 1.00 0.00 C ATOM 431 O CYS A 31 5.586 6.438 5.136 1.00 0.00 O ATOM 432 CB CYS A 31 7.463 7.084 2.617 1.00 0.00 C ATOM 433 SG CYS A 31 8.990 7.233 1.659 1.00 0.00 S ATOM 0 H CYS A 31 7.516 5.048 4.706 1.00 0.00 H new ATOM 0 HA CYS A 31 8.395 7.832 4.402 1.00 0.00 H new ATOM 0 HB2 CYS A 31 6.947 6.172 2.318 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.807 7.918 2.367 1.00 0.00 H new ATOM 0 HG CYS A 31 9.669 6.128 1.750 1.00 0.00 H new ATOM 439 N ASP A 32 6.118 8.624 5.131 1.00 0.00 N ATOM 440 CA ASP A 32 4.897 9.036 5.814 1.00 0.00 C ATOM 441 C ASP A 32 3.710 9.030 4.856 1.00 0.00 C ATOM 442 O ASP A 32 3.805 9.518 3.730 1.00 0.00 O ATOM 443 CB ASP A 32 5.071 10.429 6.421 1.00 0.00 C ATOM 444 CG ASP A 32 3.746 11.118 6.677 1.00 0.00 C ATOM 445 OD1 ASP A 32 3.024 10.690 7.602 1.00 0.00 O ATOM 446 OD2 ASP A 32 3.430 12.086 5.953 1.00 0.00 O ATOM 0 H ASP A 32 6.750 9.390 4.899 1.00 0.00 H new ATOM 0 HA ASP A 32 4.699 8.322 6.614 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.622 10.348 7.358 1.00 0.00 H new ATOM 0 HB3 ASP A 32 5.672 11.042 5.750 1.00 0.00 H new ATOM 451 N PHE A 33 2.592 8.472 5.310 1.00 0.00 N ATOM 452 CA PHE A 33 1.387 8.400 4.492 1.00 0.00 C ATOM 453 C PHE A 33 0.911 9.796 4.102 1.00 0.00 C ATOM 454 O PHE A 33 0.930 10.719 4.915 1.00 0.00 O ATOM 455 CB PHE A 33 0.278 7.662 5.245 1.00 0.00 C ATOM 456 CG PHE A 33 0.772 6.489 6.042 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.178 5.325 5.408 1.00 0.00 C ATOM 458 CD2 PHE A 33 0.831 6.549 7.425 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.634 4.244 6.138 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.286 5.472 8.160 1.00 0.00 C ATOM 461 CZ PHE A 33 1.687 4.317 7.516 1.00 0.00 C ATOM 0 H PHE A 33 2.496 8.063 6.240 1.00 0.00 H new ATOM 0 HA PHE A 33 1.627 7.850 3.582 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.223 8.361 5.915 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.468 7.316 4.529 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.137 5.262 4.331 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.518 7.448 7.934 1.00 0.00 H new ATOM 0 HE1 PHE A 33 1.948 3.343 5.632 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.328 5.532 9.237 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.041 3.473 8.089 1.00 0.00 H new ATOM 471 N GLU A 34 0.484 9.941 2.851 1.00 0.00 N ATOM 472 CA GLU A 34 0.003 11.225 2.353 1.00 0.00 C ATOM 473 C GLU A 34 -1.482 11.404 2.654 1.00 0.00 C ATOM 474 O GLU A 34 -2.129 10.508 3.195 1.00 0.00 O ATOM 475 CB GLU A 34 0.246 11.335 0.846 1.00 0.00 C ATOM 476 CG GLU A 34 1.618 11.881 0.489 1.00 0.00 C ATOM 477 CD GLU A 34 1.690 13.392 0.593 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.287 13.935 1.642 1.00 0.00 O ATOM 479 OE2 GLU A 34 2.150 14.031 -0.377 1.00 0.00 O ATOM 0 H GLU A 34 0.461 9.187 2.165 1.00 0.00 H new ATOM 0 HA GLU A 34 0.557 12.014 2.862 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.128 10.350 0.395 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -0.517 11.979 0.410 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.364 11.439 1.150 1.00 0.00 H new ATOM 0 HG3 GLU A 34 1.872 11.578 -0.527 1.00 0.00 H new ATOM 486 N SER A 35 -2.014 12.570 2.301 1.00 0.00 N ATOM 487 CA SER A 35 -3.422 12.870 2.537 1.00 0.00 C ATOM 488 C SER A 35 -4.295 12.289 1.429 1.00 0.00 C ATOM 489 O SER A 35 -3.882 12.220 0.271 1.00 0.00 O ATOM 490 CB SER A 35 -3.634 14.382 2.629 1.00 0.00 C ATOM 491 OG SER A 35 -2.721 14.971 3.539 1.00 0.00 O ATOM 0 H SER A 35 -1.492 13.322 1.851 1.00 0.00 H new ATOM 0 HA SER A 35 -3.712 12.411 3.482 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.510 14.830 1.643 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.655 14.590 2.948 1.00 0.00 H new ATOM 0 HG SER A 35 -2.876 15.938 3.578 1.00 0.00 H new ATOM 497 N ARG A 36 -5.503 11.872 1.794 1.00 0.00 N ATOM 498 CA ARG A 36 -6.435 11.296 0.832 1.00 0.00 C ATOM 499 C ARG A 36 -5.857 10.028 0.208 1.00 0.00 C ATOM 500 O ARG A 36 -5.920 9.839 -1.006 1.00 0.00 O ATOM 501 CB ARG A 36 -6.764 12.312 -0.264 1.00 0.00 C ATOM 502 CG ARG A 36 -7.791 13.350 0.157 1.00 0.00 C ATOM 503 CD ARG A 36 -7.176 14.406 1.063 1.00 0.00 C ATOM 504 NE ARG A 36 -6.275 15.295 0.334 1.00 0.00 N ATOM 505 CZ ARG A 36 -5.963 16.520 0.741 1.00 0.00 C ATOM 506 NH1 ARG A 36 -6.476 16.999 1.866 1.00 0.00 N ATOM 507 NH2 ARG A 36 -5.135 17.269 0.023 1.00 0.00 N ATOM 0 H ARG A 36 -5.859 11.922 2.748 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.351 11.035 1.363 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -5.848 12.820 -0.563 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.135 11.781 -1.141 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.211 13.828 -0.728 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.615 12.859 0.675 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.969 14.993 1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.629 13.918 1.870 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.863 14.956 -0.535 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.112 16.426 2.421 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.235 17.940 2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.738 16.904 -0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -4.896 18.210 0.337 1.00 0.00 H new ATOM 521 N GLN A 37 -5.295 9.165 1.048 1.00 0.00 N ATOM 522 CA GLN A 37 -4.706 7.917 0.578 1.00 0.00 C ATOM 523 C GLN A 37 -5.150 6.744 1.446 1.00 0.00 C ATOM 524 O GLN A 37 -5.193 6.848 2.673 1.00 0.00 O ATOM 525 CB GLN A 37 -3.179 8.017 0.579 1.00 0.00 C ATOM 526 CG GLN A 37 -2.643 9.144 -0.289 1.00 0.00 C ATOM 527 CD GLN A 37 -2.683 8.812 -1.768 1.00 0.00 C ATOM 528 OE1 GLN A 37 -3.475 7.977 -2.207 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.828 9.465 -2.545 1.00 0.00 N ATOM 0 H GLN A 37 -5.235 9.307 2.056 1.00 0.00 H new ATOM 0 HA GLN A 37 -5.052 7.743 -0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.833 8.162 1.603 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.761 7.072 0.232 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -3.227 10.046 -0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.616 9.365 0.002 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.189 10.149 -2.139 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.810 9.283 -3.548 1.00 0.00 H new ATOM 538 N LEU A 38 -5.481 5.630 0.803 1.00 0.00 N ATOM 539 CA LEU A 38 -5.923 4.437 1.516 1.00 0.00 C ATOM 540 C LEU A 38 -4.795 3.862 2.366 1.00 0.00 C ATOM 541 O LEU A 38 -3.743 3.484 1.848 1.00 0.00 O ATOM 542 CB LEU A 38 -6.421 3.382 0.526 1.00 0.00 C ATOM 543 CG LEU A 38 -7.429 2.371 1.074 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.807 3.003 1.193 1.00 0.00 C ATOM 545 CD2 LEU A 38 -7.481 1.136 0.186 1.00 0.00 C ATOM 0 H LEU A 38 -5.452 5.528 -0.211 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.742 4.721 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.875 3.894 -0.322 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.559 2.835 0.144 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.105 2.065 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.511 2.269 1.585 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.759 3.856 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.140 3.337 0.210 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.203 0.427 0.591 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.781 1.425 -0.821 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.496 0.671 0.152 1.00 0.00 H new ATOM 557 N LEU A 39 -5.021 3.795 3.673 1.00 0.00 N ATOM 558 CA LEU A 39 -4.024 3.263 4.596 1.00 0.00 C ATOM 559 C LEU A 39 -4.563 2.042 5.335 1.00 0.00 C ATOM 560 O LEU A 39 -5.750 1.972 5.655 1.00 0.00 O ATOM 561 CB LEU A 39 -3.605 4.337 5.600 1.00 0.00 C ATOM 562 CG LEU A 39 -3.219 5.694 5.010 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.894 6.685 6.117 1.00 0.00 C ATOM 564 CD2 LEU A 39 -2.038 5.546 4.061 1.00 0.00 C ATOM 0 H LEU A 39 -5.886 4.102 4.118 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.153 2.958 4.015 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.425 4.489 6.302 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.759 3.959 6.174 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.068 6.078 4.445 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.622 7.645 5.678 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.766 6.814 6.758 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -2.061 6.308 6.710 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.777 6.521 3.650 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.184 5.140 4.603 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.306 4.870 3.249 1.00 0.00 H new ATOM 576 N ARG A 40 -3.683 1.084 5.605 1.00 0.00 N ATOM 577 CA ARG A 40 -4.071 -0.134 6.308 1.00 0.00 C ATOM 578 C ARG A 40 -3.301 -0.273 7.618 1.00 0.00 C ATOM 579 O ARG A 40 -2.071 -0.305 7.627 1.00 0.00 O ATOM 580 CB ARG A 40 -3.823 -1.358 5.425 1.00 0.00 C ATOM 581 CG ARG A 40 -4.923 -1.608 4.407 1.00 0.00 C ATOM 582 CD ARG A 40 -6.021 -2.491 4.979 1.00 0.00 C ATOM 583 NE ARG A 40 -6.767 -3.184 3.932 1.00 0.00 N ATOM 584 CZ ARG A 40 -7.665 -2.590 3.153 1.00 0.00 C ATOM 585 NH1 ARG A 40 -7.926 -1.298 3.303 1.00 0.00 N ATOM 586 NH2 ARG A 40 -8.303 -3.287 2.222 1.00 0.00 N ATOM 0 H ARG A 40 -2.697 1.127 5.348 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.135 -0.070 6.537 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.876 -1.231 4.900 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.720 -2.238 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -5.349 -0.656 4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.499 -2.080 3.521 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.581 -3.223 5.656 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.706 -1.882 5.569 1.00 0.00 H new ATOM 0 HE ARG A 40 -6.589 -4.178 3.791 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.437 -0.759 4.017 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.616 -0.844 2.704 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.105 -4.280 2.103 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.992 -2.830 1.625 1.00 0.00 H new ATOM 600 N VAL A 41 -4.035 -0.355 8.724 1.00 0.00 N ATOM 601 CA VAL A 41 -3.422 -0.492 10.039 1.00 0.00 C ATOM 602 C VAL A 41 -3.415 -1.947 10.494 1.00 0.00 C ATOM 603 O VAL A 41 -4.469 -2.557 10.678 1.00 0.00 O ATOM 604 CB VAL A 41 -4.157 0.359 11.092 1.00 0.00 C ATOM 605 CG1 VAL A 41 -3.581 0.110 12.478 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.081 1.835 10.731 1.00 0.00 C ATOM 0 H VAL A 41 -5.055 -0.329 8.735 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.395 -0.138 9.947 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.206 0.065 11.103 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.113 0.720 13.208 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.693 -0.943 12.735 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.524 0.375 12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.605 2.422 11.485 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.037 2.146 10.690 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.546 1.996 9.758 1.00 0.00 H new ATOM 616 N LEU A 42 -2.220 -2.499 10.673 1.00 0.00 N ATOM 617 CA LEU A 42 -2.074 -3.884 11.107 1.00 0.00 C ATOM 618 C LEU A 42 -2.748 -4.106 12.458 1.00 0.00 C ATOM 619 O LEU A 42 -2.971 -3.172 13.228 1.00 0.00 O ATOM 620 CB LEU A 42 -0.593 -4.258 11.196 1.00 0.00 C ATOM 621 CG LEU A 42 0.099 -4.573 9.869 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.502 -5.109 10.114 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.721 -5.570 9.063 1.00 0.00 C ATOM 0 H LEU A 42 -1.338 -2.009 10.524 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.560 -4.523 10.370 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.059 -3.437 11.676 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.496 -5.126 11.849 1.00 0.00 H new ATOM 0 HG LEU A 42 0.179 -3.650 9.294 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.980 -5.328 9.159 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.088 -4.363 10.650 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.444 -6.021 10.708 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.213 -5.782 8.122 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.832 -6.493 9.632 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.705 -5.149 8.857 1.00 0.00 H new ATOM 635 N PRO A 43 -3.077 -5.371 12.755 1.00 0.00 N ATOM 636 CA PRO A 43 -3.727 -5.746 14.014 1.00 0.00 C ATOM 637 C PRO A 43 -2.795 -5.604 15.212 1.00 0.00 C ATOM 638 O PRO A 43 -3.143 -5.982 16.331 1.00 0.00 O ATOM 639 CB PRO A 43 -4.101 -7.214 13.798 1.00 0.00 C ATOM 640 CG PRO A 43 -3.130 -7.706 12.781 1.00 0.00 C ATOM 641 CD PRO A 43 -2.841 -6.535 11.884 1.00 0.00 C ATOM 0 HA PRO A 43 -4.579 -5.104 14.239 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -4.026 -7.782 14.725 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.128 -7.313 13.446 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -2.218 -8.069 13.255 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.547 -8.538 12.214 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.817 -6.557 11.512 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.496 -6.525 11.013 1.00 0.00 H new ATOM 649 N CYS A 44 -1.608 -5.058 14.971 1.00 0.00 N ATOM 650 CA CYS A 44 -0.624 -4.866 16.030 1.00 0.00 C ATOM 651 C CYS A 44 -0.427 -3.382 16.327 1.00 0.00 C ATOM 652 O CYS A 44 0.620 -2.973 16.827 1.00 0.00 O ATOM 653 CB CYS A 44 0.711 -5.500 15.635 1.00 0.00 C ATOM 654 SG CYS A 44 1.203 -5.184 13.910 1.00 0.00 S ATOM 0 H CYS A 44 -1.304 -4.740 14.051 1.00 0.00 H new ATOM 0 HA CYS A 44 -0.997 -5.352 16.931 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.490 -5.124 16.298 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.650 -6.577 15.793 1.00 0.00 H new ATOM 0 HG CYS A 44 2.052 -4.200 13.874 1.00 0.00 H new ATOM 659 N ASN A 45 -1.442 -2.582 16.017 1.00 0.00 N ATOM 660 CA ASN A 45 -1.381 -1.144 16.250 1.00 0.00 C ATOM 661 C ASN A 45 -0.267 -0.506 15.425 1.00 0.00 C ATOM 662 O ASN A 45 0.570 0.226 15.954 1.00 0.00 O ATOM 663 CB ASN A 45 -1.159 -0.857 17.736 1.00 0.00 C ATOM 664 CG ASN A 45 -2.399 -1.122 18.568 1.00 0.00 C ATOM 665 OD1 ASN A 45 -2.400 -1.989 19.442 1.00 0.00 O ATOM 666 ND2 ASN A 45 -3.463 -0.375 18.298 1.00 0.00 N ATOM 0 H ASN A 45 -2.317 -2.905 15.604 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.332 -0.710 15.941 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.339 -1.474 18.104 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.856 0.183 17.861 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -4.327 -0.508 18.824 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.417 0.332 17.564 1.00 0.00 H new ATOM 673 N HIS A 46 -0.264 -0.789 14.126 1.00 0.00 N ATOM 674 CA HIS A 46 0.746 -0.241 13.228 1.00 0.00 C ATOM 675 C HIS A 46 0.117 0.209 11.913 1.00 0.00 C ATOM 676 O HIS A 46 -0.664 -0.523 11.306 1.00 0.00 O ATOM 677 CB HIS A 46 1.835 -1.281 12.956 1.00 0.00 C ATOM 678 CG HIS A 46 2.854 -1.380 14.049 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.485 -2.559 14.385 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.353 -0.437 14.882 1.00 0.00 C ATOM 681 CE1 HIS A 46 4.326 -2.338 15.379 1.00 0.00 C ATOM 682 NE2 HIS A 46 4.266 -1.058 15.699 1.00 0.00 N ATOM 0 H HIS A 46 -0.949 -1.394 13.672 1.00 0.00 H new ATOM 0 HA HIS A 46 1.195 0.627 13.712 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.368 -2.256 12.816 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.339 -1.032 12.022 1.00 0.00 H new ATOM 0 HD2 HIS A 46 3.084 0.609 14.901 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.956 -3.078 15.850 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.809 -0.604 16.433 1.00 0.00 H new ATOM 690 N GLU A 47 0.462 1.418 11.480 1.00 0.00 N ATOM 691 CA GLU A 47 -0.071 1.965 10.238 1.00 0.00 C ATOM 692 C GLU A 47 0.802 1.570 9.051 1.00 0.00 C ATOM 693 O GLU A 47 2.025 1.479 9.168 1.00 0.00 O ATOM 694 CB GLU A 47 -0.171 3.489 10.328 1.00 0.00 C ATOM 695 CG GLU A 47 -0.988 3.977 11.513 1.00 0.00 C ATOM 696 CD GLU A 47 -1.592 5.348 11.279 1.00 0.00 C ATOM 697 OE1 GLU A 47 -1.123 6.055 10.363 1.00 0.00 O ATOM 698 OE2 GLU A 47 -2.535 5.714 12.012 1.00 0.00 O ATOM 0 H GLU A 47 1.108 2.037 11.971 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.068 1.551 10.087 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.833 3.907 10.393 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.616 3.870 9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -1.785 3.263 11.719 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.353 4.010 12.399 1.00 0.00 H new ATOM 705 N PHE A 48 0.166 1.337 7.908 1.00 0.00 N ATOM 706 CA PHE A 48 0.884 0.951 6.698 1.00 0.00 C ATOM 707 C PHE A 48 0.147 1.432 5.452 1.00 0.00 C ATOM 708 O PHE A 48 -0.955 1.975 5.539 1.00 0.00 O ATOM 709 CB PHE A 48 1.058 -0.568 6.647 1.00 0.00 C ATOM 710 CG PHE A 48 1.904 -1.113 7.762 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.286 -1.091 7.675 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.316 -1.647 8.897 1.00 0.00 C ATOM 713 CE1 PHE A 48 4.068 -1.591 8.700 1.00 0.00 C ATOM 714 CE2 PHE A 48 2.092 -2.149 9.925 1.00 0.00 C ATOM 715 CZ PHE A 48 3.469 -2.122 9.826 1.00 0.00 C ATOM 0 H PHE A 48 -0.845 1.409 7.794 1.00 0.00 H new ATOM 0 HA PHE A 48 1.867 1.422 6.722 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.076 -1.039 6.683 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.508 -0.842 5.693 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.759 -0.678 6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.239 -1.671 8.980 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.145 -1.566 8.620 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.622 -2.562 10.805 1.00 0.00 H new ATOM 0 HZ PHE A 48 4.077 -2.515 10.627 1.00 0.00 H new ATOM 725 N HIS A 49 0.765 1.231 4.292 1.00 0.00 N ATOM 726 CA HIS A 49 0.169 1.644 3.026 1.00 0.00 C ATOM 727 C HIS A 49 -0.666 0.517 2.425 1.00 0.00 C ATOM 728 O HIS A 49 -0.141 -0.541 2.081 1.00 0.00 O ATOM 729 CB HIS A 49 1.257 2.070 2.041 1.00 0.00 C ATOM 730 CG HIS A 49 1.547 3.539 2.066 1.00 0.00 C ATOM 731 ND1 HIS A 49 2.826 4.055 2.064 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.713 4.606 2.093 1.00 0.00 C ATOM 733 CE1 HIS A 49 2.767 5.374 2.090 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.496 5.734 2.108 1.00 0.00 N ATOM 0 H HIS A 49 1.678 0.785 4.203 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.486 2.493 3.221 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.173 1.524 2.266 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.955 1.785 1.033 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.684 3.504 2.045 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.367 4.575 2.101 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.614 6.044 2.096 1.00 0.00 H new ATOM 742 N ALA A 50 -1.968 0.752 2.303 1.00 0.00 N ATOM 743 CA ALA A 50 -2.874 -0.243 1.743 1.00 0.00 C ATOM 744 C ALA A 50 -2.243 -0.949 0.547 1.00 0.00 C ATOM 745 O ALA A 50 -2.609 -2.077 0.215 1.00 0.00 O ATOM 746 CB ALA A 50 -4.189 0.409 1.339 1.00 0.00 C ATOM 0 H ALA A 50 -2.419 1.623 2.584 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.072 -0.991 2.511 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.856 -0.345 0.922 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.655 0.862 2.214 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.999 1.178 0.591 1.00 0.00 H new ATOM 752 N LYS A 51 -1.294 -0.278 -0.097 1.00 0.00 N ATOM 753 CA LYS A 51 -0.611 -0.841 -1.255 1.00 0.00 C ATOM 754 C LYS A 51 0.646 -1.593 -0.833 1.00 0.00 C ATOM 755 O LYS A 51 0.873 -2.729 -1.252 1.00 0.00 O ATOM 756 CB LYS A 51 -0.247 0.267 -2.246 1.00 0.00 C ATOM 757 CG LYS A 51 0.614 1.364 -1.643 1.00 0.00 C ATOM 758 CD LYS A 51 0.934 2.446 -2.661 1.00 0.00 C ATOM 759 CE LYS A 51 -0.227 3.415 -2.826 1.00 0.00 C ATOM 760 NZ LYS A 51 -1.363 2.799 -3.565 1.00 0.00 N ATOM 0 H LYS A 51 -0.981 0.657 0.164 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.288 -1.545 -1.738 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.280 -0.173 -3.092 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -1.164 0.709 -2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.097 1.806 -0.791 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.541 0.933 -1.265 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.823 2.992 -2.346 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.165 1.986 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -0.568 3.744 -1.844 1.00 0.00 H new ATOM 0 HE3 LYS A 51 0.114 4.303 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.823 3.519 -4.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.008 2.030 -4.169 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.052 2.417 -2.886 1.00 0.00 H new ATOM 774 N CYS A 52 1.461 -0.955 0.000 1.00 0.00 N ATOM 775 CA CYS A 52 2.696 -1.564 0.480 1.00 0.00 C ATOM 776 C CYS A 52 2.405 -2.854 1.242 1.00 0.00 C ATOM 777 O CYS A 52 2.712 -3.949 0.770 1.00 0.00 O ATOM 778 CB CYS A 52 3.454 -0.586 1.381 1.00 0.00 C ATOM 779 SG CYS A 52 3.974 0.946 0.543 1.00 0.00 S ATOM 0 H CYS A 52 1.288 -0.015 0.357 1.00 0.00 H new ATOM 0 HA CYS A 52 3.314 -1.805 -0.385 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.822 -0.326 2.230 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.336 -1.086 1.781 1.00 0.00 H new ATOM 0 HG CYS A 52 4.839 1.573 1.283 1.00 0.00 H new ATOM 784 N VAL A 53 1.811 -2.716 2.423 1.00 0.00 N ATOM 785 CA VAL A 53 1.478 -3.870 3.250 1.00 0.00 C ATOM 786 C VAL A 53 0.880 -4.993 2.411 1.00 0.00 C ATOM 787 O VAL A 53 1.073 -6.173 2.706 1.00 0.00 O ATOM 788 CB VAL A 53 0.485 -3.492 4.365 1.00 0.00 C ATOM 789 CG1 VAL A 53 -0.877 -3.158 3.777 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.374 -4.618 5.382 1.00 0.00 C ATOM 0 H VAL A 53 1.551 -1.817 2.829 1.00 0.00 H new ATOM 0 HA VAL A 53 2.408 -4.215 3.703 1.00 0.00 H new ATOM 0 HB VAL A 53 0.860 -2.606 4.877 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.565 -2.893 4.580 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.780 -2.317 3.090 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.263 -4.024 3.239 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.332 -4.335 6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.022 -5.523 4.886 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.352 -4.804 5.827 1.00 0.00 H new ATOM 800 N ASP A 54 0.153 -4.619 1.363 1.00 0.00 N ATOM 801 CA ASP A 54 -0.472 -5.595 0.479 1.00 0.00 C ATOM 802 C ASP A 54 0.562 -6.572 -0.071 1.00 0.00 C ATOM 803 O ASP A 54 0.375 -7.788 -0.016 1.00 0.00 O ATOM 804 CB ASP A 54 -1.186 -4.887 -0.674 1.00 0.00 C ATOM 805 CG ASP A 54 -2.116 -5.812 -1.434 1.00 0.00 C ATOM 806 OD1 ASP A 54 -1.640 -6.854 -1.932 1.00 0.00 O ATOM 807 OD2 ASP A 54 -3.320 -5.494 -1.531 1.00 0.00 O ATOM 0 H ASP A 54 -0.018 -3.647 1.106 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.204 -6.157 1.059 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.756 -4.045 -0.282 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.445 -4.478 -1.360 1.00 0.00 H new ATOM 812 N LYS A 55 1.654 -6.033 -0.601 1.00 0.00 N ATOM 813 CA LYS A 55 2.720 -6.855 -1.162 1.00 0.00 C ATOM 814 C LYS A 55 3.484 -7.581 -0.059 1.00 0.00 C ATOM 815 O LYS A 55 3.511 -8.811 -0.016 1.00 0.00 O ATOM 816 CB LYS A 55 3.682 -5.992 -1.980 1.00 0.00 C ATOM 817 CG LYS A 55 3.217 -5.745 -3.405 1.00 0.00 C ATOM 818 CD LYS A 55 2.081 -4.737 -3.454 1.00 0.00 C ATOM 819 CE LYS A 55 1.595 -4.515 -4.878 1.00 0.00 C ATOM 820 NZ LYS A 55 0.334 -3.723 -4.916 1.00 0.00 N ATOM 0 H LYS A 55 1.825 -5.029 -0.654 1.00 0.00 H new ATOM 0 HA LYS A 55 2.265 -7.599 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.813 -5.033 -1.478 1.00 0.00 H new ATOM 0 HB3 LYS A 55 4.659 -6.475 -2.004 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.053 -5.382 -4.004 1.00 0.00 H new ATOM 0 HG3 LYS A 55 2.890 -6.685 -3.850 1.00 0.00 H new ATOM 0 HD2 LYS A 55 1.254 -5.088 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 55 2.415 -3.790 -3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.366 -3.998 -5.449 1.00 0.00 H new ATOM 0 HE3 LYS A 55 1.433 -5.479 -5.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 0.035 -3.593 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -0.409 -4.229 -4.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.494 -2.794 -4.478 1.00 0.00 H new ATOM 834 N TRP A 56 4.101 -6.813 0.831 1.00 0.00 N ATOM 835 CA TRP A 56 4.864 -7.383 1.935 1.00 0.00 C ATOM 836 C TRP A 56 4.209 -8.662 2.446 1.00 0.00 C ATOM 837 O TRP A 56 4.871 -9.688 2.610 1.00 0.00 O ATOM 838 CB TRP A 56 4.990 -6.370 3.073 1.00 0.00 C ATOM 839 CG TRP A 56 5.604 -6.943 4.315 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.943 -7.453 5.396 1.00 0.00 C ATOM 841 CD2 TRP A 56 7.001 -7.063 4.603 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.845 -7.882 6.339 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.114 -7.655 5.876 1.00 0.00 C ATOM 844 CE3 TRP A 56 8.167 -6.730 3.909 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.347 -7.919 6.467 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.390 -6.992 4.497 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.473 -7.582 5.765 1.00 0.00 C ATOM 0 H TRP A 56 4.088 -5.793 0.810 1.00 0.00 H new ATOM 0 HA TRP A 56 5.860 -7.629 1.566 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.593 -5.527 2.734 1.00 0.00 H new ATOM 0 HB3 TRP A 56 4.001 -5.979 3.313 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.869 -7.511 5.495 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.608 -8.302 7.238 1.00 0.00 H new ATOM 0 HE3 TRP A 56 8.114 -6.276 2.931 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.413 -8.373 7.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.298 -6.737 3.970 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.444 -7.775 6.197 1.00 0.00 H new ATOM 858 N LEU A 57 2.906 -8.594 2.697 1.00 0.00 N ATOM 859 CA LEU A 57 2.161 -9.747 3.189 1.00 0.00 C ATOM 860 C LEU A 57 2.324 -10.941 2.254 1.00 0.00 C ATOM 861 O LEU A 57 2.494 -12.075 2.701 1.00 0.00 O ATOM 862 CB LEU A 57 0.679 -9.397 3.335 1.00 0.00 C ATOM 863 CG LEU A 57 0.332 -8.384 4.427 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.052 -7.801 4.194 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.415 -9.033 5.801 1.00 0.00 C ATOM 0 H LEU A 57 2.344 -7.753 2.568 1.00 0.00 H new ATOM 0 HA LEU A 57 2.562 -10.017 4.166 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.322 -9.009 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.127 -10.316 3.532 1.00 0.00 H new ATOM 0 HG LEU A 57 1.057 -7.571 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.281 -7.082 4.981 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.078 -7.300 3.226 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.791 -8.602 4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.165 -8.298 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.287 -9.865 5.854 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.427 -9.402 5.969 1.00 0.00 H new ATOM 877 N LYS A 58 2.273 -10.677 0.953 1.00 0.00 N ATOM 878 CA LYS A 58 2.418 -11.728 -0.047 1.00 0.00 C ATOM 879 C LYS A 58 3.688 -12.537 0.194 1.00 0.00 C ATOM 880 O LYS A 58 3.719 -13.746 -0.036 1.00 0.00 O ATOM 881 CB LYS A 58 2.445 -11.123 -1.453 1.00 0.00 C ATOM 882 CG LYS A 58 3.847 -10.876 -1.982 1.00 0.00 C ATOM 883 CD LYS A 58 3.829 -9.997 -3.221 1.00 0.00 C ATOM 884 CE LYS A 58 3.731 -10.828 -4.492 1.00 0.00 C ATOM 885 NZ LYS A 58 2.316 -11.063 -4.893 1.00 0.00 N ATOM 0 H LYS A 58 2.132 -9.744 0.566 1.00 0.00 H new ATOM 0 HA LYS A 58 1.561 -12.396 0.038 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.920 -11.790 -2.137 1.00 0.00 H new ATOM 0 HB3 LYS A 58 1.898 -10.180 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 58 4.451 -10.403 -1.208 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.321 -11.829 -2.218 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.985 -9.309 -3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 58 4.734 -9.390 -3.251 1.00 0.00 H new ATOM 0 HE2 LYS A 58 4.258 -10.320 -5.300 1.00 0.00 H new ATOM 0 HE3 LYS A 58 4.229 -11.785 -4.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 2.206 -12.044 -5.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 1.692 -10.898 -4.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.060 -10.411 -5.662 1.00 0.00 H new ATOM 899 N ALA A 59 4.735 -11.863 0.659 1.00 0.00 N ATOM 900 CA ALA A 59 6.006 -12.520 0.935 1.00 0.00 C ATOM 901 C ALA A 59 6.044 -13.068 2.357 1.00 0.00 C ATOM 902 O ALA A 59 6.427 -14.215 2.581 1.00 0.00 O ATOM 903 CB ALA A 59 7.159 -11.553 0.708 1.00 0.00 C ATOM 0 H ALA A 59 4.727 -10.862 0.852 1.00 0.00 H new ATOM 0 HA ALA A 59 6.110 -13.360 0.248 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.103 -12.056 0.918 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.151 -11.214 -0.328 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.050 -10.695 1.371 1.00 0.00 H new ATOM 909 N ASN A 60 5.644 -12.239 3.317 1.00 0.00 N ATOM 910 CA ASN A 60 5.634 -12.641 4.719 1.00 0.00 C ATOM 911 C ASN A 60 4.319 -12.251 5.386 1.00 0.00 C ATOM 912 O ASN A 60 3.960 -11.075 5.436 1.00 0.00 O ATOM 913 CB ASN A 60 6.807 -11.999 5.463 1.00 0.00 C ATOM 914 CG ASN A 60 8.137 -12.629 5.100 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.392 -13.792 5.413 1.00 0.00 O ATOM 916 ND2 ASN A 60 8.993 -11.861 4.435 1.00 0.00 N ATOM 0 H ASN A 60 5.323 -11.286 3.149 1.00 0.00 H new ATOM 0 HA ASN A 60 5.735 -13.725 4.762 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.839 -10.934 5.235 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.646 -12.091 6.537 1.00 0.00 H new ATOM 0 HD21 ASN A 60 9.904 -12.230 4.163 1.00 0.00 H new ATOM 0 HD22 ASN A 60 8.739 -10.902 4.197 1.00 0.00 H new ATOM 923 N ARG A 61 3.604 -13.248 5.899 1.00 0.00 N ATOM 924 CA ARG A 61 2.328 -13.010 6.563 1.00 0.00 C ATOM 925 C ARG A 61 2.542 -12.462 7.971 1.00 0.00 C ATOM 926 O ARG A 61 1.927 -12.928 8.931 1.00 0.00 O ATOM 927 CB ARG A 61 1.513 -14.303 6.626 1.00 0.00 C ATOM 928 CG ARG A 61 0.014 -14.074 6.725 1.00 0.00 C ATOM 929 CD ARG A 61 -0.556 -13.541 5.420 1.00 0.00 C ATOM 930 NE ARG A 61 -0.531 -14.546 4.361 1.00 0.00 N ATOM 931 CZ ARG A 61 -0.517 -14.249 3.066 1.00 0.00 C ATOM 932 NH1 ARG A 61 -0.526 -12.983 2.673 1.00 0.00 N ATOM 933 NH2 ARG A 61 -0.494 -15.220 2.162 1.00 0.00 N ATOM 0 H ARG A 61 3.887 -14.227 5.867 1.00 0.00 H new ATOM 0 HA ARG A 61 1.777 -12.269 5.983 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.723 -14.898 5.738 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.840 -14.887 7.486 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.482 -15.009 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -0.195 -13.369 7.529 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -1.582 -13.210 5.581 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.015 -12.668 5.105 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.524 -15.530 4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -0.544 -12.234 3.365 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -0.515 -12.758 1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.487 -16.195 2.461 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.483 -14.991 1.168 1.00 0.00 H new ATOM 947 N THR A 62 3.419 -11.470 8.087 1.00 0.00 N ATOM 948 CA THR A 62 3.716 -10.859 9.377 1.00 0.00 C ATOM 949 C THR A 62 3.888 -9.351 9.245 1.00 0.00 C ATOM 950 O THR A 62 3.744 -8.792 8.157 1.00 0.00 O ATOM 951 CB THR A 62 4.991 -11.457 10.002 1.00 0.00 C ATOM 952 OG1 THR A 62 6.015 -11.572 9.008 1.00 0.00 O ATOM 953 CG2 THR A 62 4.707 -12.824 10.605 1.00 0.00 C ATOM 0 H THR A 62 3.936 -11.072 7.303 1.00 0.00 H new ATOM 0 HA THR A 62 2.868 -11.069 10.028 1.00 0.00 H new ATOM 0 HB THR A 62 5.328 -10.790 10.796 1.00 0.00 H new ATOM 0 HG1 THR A 62 6.823 -11.951 9.413 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.622 -13.227 11.040 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.947 -12.729 11.381 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.348 -13.498 9.827 1.00 0.00 H new ATOM 961 N CYS A 63 4.198 -8.695 10.358 1.00 0.00 N ATOM 962 CA CYS A 63 4.390 -7.250 10.367 1.00 0.00 C ATOM 963 C CYS A 63 5.859 -6.895 10.151 1.00 0.00 C ATOM 964 O CYS A 63 6.750 -7.388 10.843 1.00 0.00 O ATOM 965 CB CYS A 63 3.900 -6.657 11.690 1.00 0.00 C ATOM 966 SG CYS A 63 4.207 -4.870 11.863 1.00 0.00 S ATOM 0 H CYS A 63 4.322 -9.142 11.266 1.00 0.00 H new ATOM 0 HA CYS A 63 3.808 -6.826 9.549 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.830 -6.842 11.784 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.388 -7.180 12.513 1.00 0.00 H new ATOM 0 HG CYS A 63 4.804 -4.427 10.797 1.00 0.00 H new ATOM 971 N PRO A 64 6.118 -6.020 9.169 1.00 0.00 N ATOM 972 CA PRO A 64 7.476 -5.579 8.839 1.00 0.00 C ATOM 973 C PRO A 64 8.076 -4.690 9.923 1.00 0.00 C ATOM 974 O PRO A 64 9.136 -4.093 9.732 1.00 0.00 O ATOM 975 CB PRO A 64 7.287 -4.788 7.542 1.00 0.00 C ATOM 976 CG PRO A 64 5.874 -4.319 7.586 1.00 0.00 C ATOM 977 CD PRO A 64 5.104 -5.393 8.304 1.00 0.00 C ATOM 0 HA PRO A 64 8.166 -6.418 8.746 1.00 0.00 H new ATOM 0 HB2 PRO A 64 7.981 -3.949 7.485 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.470 -5.412 6.667 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.795 -3.366 8.109 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.483 -4.164 6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.281 -4.977 8.886 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.671 -6.111 7.607 1.00 0.00 H new ATOM 985 N ILE A 65 7.392 -4.606 11.059 1.00 0.00 N ATOM 986 CA ILE A 65 7.859 -3.791 12.173 1.00 0.00 C ATOM 987 C ILE A 65 8.114 -4.644 13.410 1.00 0.00 C ATOM 988 O ILE A 65 9.254 -4.791 13.853 1.00 0.00 O ATOM 989 CB ILE A 65 6.846 -2.686 12.525 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.589 -1.793 11.310 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.350 -1.859 13.699 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.657 -0.636 11.596 1.00 0.00 C ATOM 0 H ILE A 65 6.512 -5.093 11.232 1.00 0.00 H new ATOM 0 HA ILE A 65 8.793 -3.329 11.855 1.00 0.00 H new ATOM 0 HB ILE A 65 5.905 -3.155 12.813 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.540 -1.402 10.949 1.00 0.00 H new ATOM 0 HG13 ILE A 65 6.168 -2.398 10.507 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.623 -1.082 13.936 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.487 -2.504 14.567 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.302 -1.397 13.437 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.521 -0.046 10.690 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.692 -1.019 11.928 1.00 0.00 H new ATOM 0 HD13 ILE A 65 6.086 -0.008 12.377 1.00 0.00 H new ATOM 1004 N CYS A 66 7.045 -5.208 13.964 1.00 0.00 N ATOM 1005 CA CYS A 66 7.152 -6.049 15.150 1.00 0.00 C ATOM 1006 C CYS A 66 7.047 -7.526 14.781 1.00 0.00 C ATOM 1007 O CYS A 66 7.000 -8.392 15.653 1.00 0.00 O ATOM 1008 CB CYS A 66 6.060 -5.685 16.158 1.00 0.00 C ATOM 1009 SG CYS A 66 4.365 -5.961 15.551 1.00 0.00 S ATOM 0 H CYS A 66 6.095 -5.097 13.610 1.00 0.00 H new ATOM 0 HA CYS A 66 8.128 -5.874 15.602 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.209 -6.270 17.066 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.170 -4.636 16.433 1.00 0.00 H new ATOM 0 HG CYS A 66 4.280 -5.578 14.312 1.00 0.00 H new ATOM 1014 N ARG A 67 7.011 -7.804 13.482 1.00 0.00 N ATOM 1015 CA ARG A 67 6.912 -9.175 12.996 1.00 0.00 C ATOM 1016 C ARG A 67 6.073 -10.027 13.944 1.00 0.00 C ATOM 1017 O ARG A 67 6.408 -11.179 14.220 1.00 0.00 O ATOM 1018 CB ARG A 67 8.305 -9.786 12.841 1.00 0.00 C ATOM 1019 CG ARG A 67 9.023 -10.009 14.162 1.00 0.00 C ATOM 1020 CD ARG A 67 10.471 -10.421 13.947 1.00 0.00 C ATOM 1021 NE ARG A 67 11.002 -11.170 15.083 1.00 0.00 N ATOM 1022 CZ ARG A 67 10.839 -12.479 15.241 1.00 0.00 C ATOM 1023 NH1 ARG A 67 10.164 -13.180 14.340 1.00 0.00 N ATOM 1024 NH2 ARG A 67 11.352 -13.089 16.302 1.00 0.00 N ATOM 0 H ARG A 67 7.049 -7.098 12.747 1.00 0.00 H new ATOM 0 HA ARG A 67 6.422 -9.155 12.022 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.218 -10.739 12.319 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.911 -9.133 12.213 1.00 0.00 H new ATOM 0 HG2 ARG A 67 8.988 -9.095 14.755 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.505 -10.780 14.733 1.00 0.00 H new ATOM 0 HD2 ARG A 67 10.545 -11.029 13.046 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.080 -9.532 13.782 1.00 0.00 H new ATOM 0 HE ARG A 67 11.527 -10.660 15.794 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.769 -12.714 13.523 1.00 0.00 H new ATOM 0 HH12 ARG A 67 10.040 -14.185 14.464 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.872 -12.553 16.997 1.00 0.00 H new ATOM 0 HH22 ARG A 67 11.226 -14.094 16.423 1.00 0.00 H new ATOM 1038 N ALA A 68 4.982 -9.453 14.440 1.00 0.00 N ATOM 1039 CA ALA A 68 4.095 -10.160 15.355 1.00 0.00 C ATOM 1040 C ALA A 68 3.145 -11.081 14.597 1.00 0.00 C ATOM 1041 O ALA A 68 3.309 -12.301 14.607 1.00 0.00 O ATOM 1042 CB ALA A 68 3.309 -9.168 16.200 1.00 0.00 C ATOM 0 H ALA A 68 4.691 -8.500 14.223 1.00 0.00 H new ATOM 0 HA ALA A 68 4.708 -10.776 16.013 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.651 -9.710 16.879 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.000 -8.554 16.778 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.713 -8.528 15.549 1.00 0.00 H new ATOM 1048 N ASP A 69 2.152 -10.490 13.942 1.00 0.00 N ATOM 1049 CA ASP A 69 1.175 -11.258 13.178 1.00 0.00 C ATOM 1050 C ASP A 69 0.215 -10.332 12.438 1.00 0.00 C ATOM 1051 O ASP A 69 0.010 -9.186 12.837 1.00 0.00 O ATOM 1052 CB ASP A 69 0.393 -12.191 14.103 1.00 0.00 C ATOM 1053 CG ASP A 69 -0.977 -12.536 13.553 1.00 0.00 C ATOM 1054 OD1 ASP A 69 -1.901 -11.709 13.702 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -1.127 -13.633 12.975 1.00 0.00 O ATOM 0 H ASP A 69 2.002 -9.481 13.925 1.00 0.00 H new ATOM 0 HA ASP A 69 1.713 -11.856 12.443 1.00 0.00 H new ATOM 0 HB2 ASP A 69 0.962 -13.108 14.255 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.281 -11.720 15.080 1.00 0.00 H new ATOM 1060 N SER A 70 -0.370 -10.837 11.356 1.00 0.00 N ATOM 1061 CA SER A 70 -1.305 -10.055 10.557 1.00 0.00 C ATOM 1062 C SER A 70 -2.599 -10.828 10.322 1.00 0.00 C ATOM 1063 O SER A 70 -3.682 -10.247 10.266 1.00 0.00 O ATOM 1064 CB SER A 70 -0.672 -9.678 9.216 1.00 0.00 C ATOM 1065 OG SER A 70 -0.725 -10.762 8.305 1.00 0.00 O ATOM 0 H SER A 70 -0.212 -11.785 11.013 1.00 0.00 H new ATOM 0 HA SER A 70 -1.541 -9.145 11.108 1.00 0.00 H new ATOM 0 HB2 SER A 70 -1.192 -8.818 8.794 1.00 0.00 H new ATOM 0 HB3 SER A 70 0.365 -9.379 9.371 1.00 0.00 H new ATOM 0 HG SER A 70 0.163 -10.906 7.916 1.00 0.00 H new