USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=17 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 101:sc= -0.472 USER MOD Set 1.2: A 46 HIS : no HD1:sc= 0.0553 K(o=-6.8,f=-8) USER MOD Set 1.3: A 63 CYS SG : rot 5:sc= -2.26 USER MOD Set 1.4: A 66 CYS SG : rot -40:sc= -4.08! USER MOD Set 2.1: A 26 CYS SG : rot 50:sc= -0.311 USER MOD Set 2.2: A 29 CYS SG : rot -58:sc= -2.01 USER MOD Set 2.3: A 49 HIS : no HE2:sc= -1.47 K(o=-5.3,f=-6.3!) USER MOD Set 2.4: A 51 LYS NZ :NH3+ 168:sc= 0.0102 (180deg=0) USER MOD Set 2.5: A 52 CYS SG : rot -166:sc= -1.51 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 51:sc= 0.364 USER MOD Single : A 30 MET CE :methyl -134:sc= -3.15! (180deg=-3.89!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 22:sc= 0.00367 USER MOD Single : A 37 GLN : amide:sc= -0.148 K(o=-0.15,f=-2!) USER MOD Single : A 45 ASN : amide:sc= -0.576 X(o=-0.58,f=-0.65) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 164:sc= -0.0314 (180deg=-0.267) USER MOD Single : A 60 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) 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 -9.088 3.509 5.995 1.00 0.00 N ATOM 128 CA TYR A 12 -9.421 4.927 6.043 1.00 0.00 C ATOM 129 C TYR A 12 -8.246 5.780 5.575 1.00 0.00 C ATOM 130 O TYR A 12 -7.096 5.339 5.600 1.00 0.00 O ATOM 131 CB TYR A 12 -9.825 5.330 7.462 1.00 0.00 C ATOM 132 CG TYR A 12 -8.652 5.484 8.404 1.00 0.00 C ATOM 133 CD1 TYR A 12 -7.947 4.375 8.855 1.00 0.00 C ATOM 134 CD2 TYR A 12 -8.248 6.740 8.842 1.00 0.00 C ATOM 135 CE1 TYR A 12 -6.876 4.512 9.717 1.00 0.00 C ATOM 136 CE2 TYR A 12 -7.177 6.886 9.702 1.00 0.00 C ATOM 137 CZ TYR A 12 -6.494 5.769 10.137 1.00 0.00 C ATOM 138 OH TYR A 12 -5.426 5.909 10.993 1.00 0.00 O ATOM 0 HA TYR A 12 -10.261 5.099 5.370 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -10.374 6.271 7.421 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -10.507 4.580 7.864 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -8.241 3.389 8.526 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -8.781 7.617 8.504 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -6.341 3.639 10.060 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -6.876 7.869 10.032 1.00 0.00 H new ATOM 0 HH TYR A 12 -5.287 6.859 11.190 1.00 0.00 H new ATOM 148 N ARG A 13 -8.543 7.003 5.148 1.00 0.00 N ATOM 149 CA ARG A 13 -7.512 7.918 4.673 1.00 0.00 C ATOM 150 C ARG A 13 -6.919 8.716 5.831 1.00 0.00 C ATOM 151 O ARG A 13 -7.647 9.250 6.668 1.00 0.00 O ATOM 152 CB ARG A 13 -8.089 8.871 3.625 1.00 0.00 C ATOM 153 CG ARG A 13 -8.691 8.162 2.423 1.00 0.00 C ATOM 154 CD ARG A 13 -9.425 9.134 1.513 1.00 0.00 C ATOM 155 NE ARG A 13 -9.840 8.506 0.262 1.00 0.00 N ATOM 156 CZ ARG A 13 -10.843 8.950 -0.487 1.00 0.00 C ATOM 157 NH1 ARG A 13 -11.530 10.021 -0.113 1.00 0.00 N ATOM 158 NH2 ARG A 13 -11.160 8.324 -1.613 1.00 0.00 N ATOM 0 H ARG A 13 -9.489 7.383 5.121 1.00 0.00 H new ATOM 0 HA ARG A 13 -6.718 7.326 4.217 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.855 9.490 4.092 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.301 9.542 3.283 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -7.902 7.661 1.862 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -9.380 7.389 2.763 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -10.301 9.524 2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.779 9.984 1.295 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.331 7.680 -0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -11.288 10.506 0.751 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -12.300 10.360 -0.690 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -10.633 7.501 -1.904 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.931 8.666 -2.187 1.00 0.00 H new ATOM 172 N PHE A 14 -5.593 8.793 5.871 1.00 0.00 N ATOM 173 CA PHE A 14 -4.902 9.525 6.927 1.00 0.00 C ATOM 174 C PHE A 14 -5.525 10.902 7.132 1.00 0.00 C ATOM 175 O PHE A 14 -6.084 11.487 6.205 1.00 0.00 O ATOM 176 CB PHE A 14 -3.417 9.670 6.587 1.00 0.00 C ATOM 177 CG PHE A 14 -2.689 10.632 7.482 1.00 0.00 C ATOM 178 CD1 PHE A 14 -2.365 10.279 8.782 1.00 0.00 C ATOM 179 CD2 PHE A 14 -2.327 11.888 7.023 1.00 0.00 C ATOM 180 CE1 PHE A 14 -1.696 11.162 9.608 1.00 0.00 C ATOM 181 CE2 PHE A 14 -1.657 12.775 7.845 1.00 0.00 C ATOM 182 CZ PHE A 14 -1.340 12.411 9.139 1.00 0.00 C ATOM 0 H PHE A 14 -4.976 8.358 5.185 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.003 8.959 7.853 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -2.940 8.692 6.653 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -3.320 10.003 5.554 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -2.638 9.303 9.154 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -2.571 12.178 6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -1.452 10.875 10.620 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.382 13.752 7.476 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.815 13.101 9.782 1.00 0.00 H new ATOM 326 N THR A 24 3.114 7.897 12.770 1.00 0.00 N ATOM 327 CA THR A 24 2.500 7.211 11.640 1.00 0.00 C ATOM 328 C THR A 24 3.422 7.218 10.426 1.00 0.00 C ATOM 329 O THR A 24 3.516 8.217 9.711 1.00 0.00 O ATOM 330 CB THR A 24 1.156 7.856 11.254 1.00 0.00 C ATOM 331 OG1 THR A 24 1.314 9.272 11.112 1.00 0.00 O ATOM 332 CG2 THR A 24 0.094 7.563 12.303 1.00 0.00 C ATOM 0 HA THR A 24 2.324 6.182 11.953 1.00 0.00 H new ATOM 0 HB THR A 24 0.834 7.430 10.304 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.072 9.459 10.520 1.00 0.00 H new ATOM 0 HG21 THR A 24 -0.846 8.029 12.009 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.046 6.485 12.388 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.412 7.965 13.265 1.00 0.00 H new ATOM 340 N LEU A 25 4.100 6.099 10.198 1.00 0.00 N ATOM 341 CA LEU A 25 5.014 5.976 9.068 1.00 0.00 C ATOM 342 C LEU A 25 4.960 4.573 8.473 1.00 0.00 C ATOM 343 O LEU A 25 4.653 3.604 9.168 1.00 0.00 O ATOM 344 CB LEU A 25 6.444 6.302 9.505 1.00 0.00 C ATOM 345 CG LEU A 25 7.543 6.003 8.485 1.00 0.00 C ATOM 346 CD1 LEU A 25 8.667 7.021 8.598 1.00 0.00 C ATOM 347 CD2 LEU A 25 8.078 4.591 8.676 1.00 0.00 C ATOM 0 H LEU A 25 4.034 5.264 10.780 1.00 0.00 H new ATOM 0 HA LEU A 25 4.703 6.687 8.303 1.00 0.00 H new ATOM 0 HB2 LEU A 25 6.492 7.360 9.761 1.00 0.00 H new ATOM 0 HB3 LEU A 25 6.660 5.744 10.416 1.00 0.00 H new ATOM 0 HG LEU A 25 7.114 6.075 7.485 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.440 6.792 7.864 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.273 8.020 8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.094 6.981 9.600 1.00 0.00 H new ATOM 0 HD21 LEU A 25 8.859 4.396 7.942 1.00 0.00 H new ATOM 0 HD22 LEU A 25 8.490 4.491 9.680 1.00 0.00 H new ATOM 0 HD23 LEU A 25 7.268 3.874 8.543 1.00 0.00 H new ATOM 359 N CYS A 26 5.261 4.470 7.183 1.00 0.00 N ATOM 360 CA CYS A 26 5.248 3.185 6.494 1.00 0.00 C ATOM 361 C CYS A 26 6.609 2.501 6.593 1.00 0.00 C ATOM 362 O CYS A 26 7.500 2.746 5.780 1.00 0.00 O ATOM 363 CB CYS A 26 4.867 3.375 5.025 1.00 0.00 C ATOM 364 SG CYS A 26 4.640 1.816 4.108 1.00 0.00 S ATOM 0 H CYS A 26 5.517 5.262 6.593 1.00 0.00 H new ATOM 0 HA CYS A 26 4.505 2.550 6.976 1.00 0.00 H new ATOM 0 HB2 CYS A 26 3.944 3.953 4.972 1.00 0.00 H new ATOM 0 HB3 CYS A 26 5.641 3.964 4.533 1.00 0.00 H new ATOM 0 HG CYS A 26 3.849 1.030 4.777 1.00 0.00 H new ATOM 369 N VAL A 27 6.761 1.642 7.596 1.00 0.00 N ATOM 370 CA VAL A 27 8.012 0.921 7.802 1.00 0.00 C ATOM 371 C VAL A 27 8.460 0.223 6.523 1.00 0.00 C ATOM 372 O VAL A 27 9.656 0.088 6.263 1.00 0.00 O ATOM 373 CB VAL A 27 7.879 -0.124 8.926 1.00 0.00 C ATOM 374 CG1 VAL A 27 7.456 -1.469 8.356 1.00 0.00 C ATOM 375 CG2 VAL A 27 9.186 -0.248 9.695 1.00 0.00 C ATOM 0 H VAL A 27 6.034 1.428 8.279 1.00 0.00 H new ATOM 0 HA VAL A 27 8.760 1.660 8.090 1.00 0.00 H new ATOM 0 HB VAL A 27 7.107 0.209 9.619 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.367 -2.195 9.164 1.00 0.00 H new ATOM 0 HG12 VAL A 27 6.494 -1.365 7.854 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.203 -1.812 7.641 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.074 -0.990 10.485 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.980 -0.558 9.016 1.00 0.00 H new ATOM 0 HG23 VAL A 27 9.442 0.716 10.136 1.00 0.00 H new ATOM 385 N VAL A 28 7.492 -0.221 5.727 1.00 0.00 N ATOM 386 CA VAL A 28 7.787 -0.905 4.474 1.00 0.00 C ATOM 387 C VAL A 28 8.667 -0.046 3.573 1.00 0.00 C ATOM 388 O VAL A 28 9.822 -0.383 3.311 1.00 0.00 O ATOM 389 CB VAL A 28 6.496 -1.269 3.717 1.00 0.00 C ATOM 390 CG1 VAL A 28 6.819 -2.067 2.463 1.00 0.00 C ATOM 391 CG2 VAL A 28 5.548 -2.043 4.621 1.00 0.00 C ATOM 0 H VAL A 28 6.497 -0.119 5.928 1.00 0.00 H new ATOM 0 HA VAL A 28 8.320 -1.821 4.730 1.00 0.00 H new ATOM 0 HB VAL A 28 6.001 -0.346 3.415 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.895 -2.315 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.457 -1.473 1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.337 -2.985 2.739 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.641 -2.292 4.070 1.00 0.00 H new ATOM 0 HG22 VAL A 28 6.032 -2.960 4.956 1.00 0.00 H new ATOM 0 HG23 VAL A 28 5.290 -1.432 5.486 1.00 0.00 H new ATOM 401 N CYS A 29 8.113 1.066 3.101 1.00 0.00 N ATOM 402 CA CYS A 29 8.846 1.975 2.228 1.00 0.00 C ATOM 403 C CYS A 29 9.363 3.180 3.009 1.00 0.00 C ATOM 404 O CYS A 29 9.607 4.243 2.439 1.00 0.00 O ATOM 405 CB CYS A 29 7.952 2.443 1.078 1.00 0.00 C ATOM 406 SG CYS A 29 6.611 3.565 1.588 1.00 0.00 S ATOM 0 H CYS A 29 7.158 1.359 3.309 1.00 0.00 H new ATOM 0 HA CYS A 29 9.700 1.436 1.818 1.00 0.00 H new ATOM 0 HB2 CYS A 29 8.569 2.946 0.334 1.00 0.00 H new ATOM 0 HB3 CYS A 29 7.516 1.570 0.593 1.00 0.00 H new ATOM 0 HG CYS A 29 5.864 2.974 2.473 1.00 0.00 H new ATOM 411 N MET A 30 9.527 3.005 4.316 1.00 0.00 N ATOM 412 CA MET A 30 10.016 4.077 5.174 1.00 0.00 C ATOM 413 C MET A 30 9.471 5.428 4.721 1.00 0.00 C ATOM 414 O MET A 30 10.170 6.440 4.776 1.00 0.00 O ATOM 415 CB MET A 30 11.546 4.105 5.172 1.00 0.00 C ATOM 416 CG MET A 30 12.177 2.845 5.741 1.00 0.00 C ATOM 417 SD MET A 30 12.546 2.987 7.500 1.00 0.00 S ATOM 418 CE MET A 30 11.086 2.235 8.215 1.00 0.00 C ATOM 0 H MET A 30 9.328 2.131 4.804 1.00 0.00 H new ATOM 0 HA MET A 30 9.665 3.885 6.188 1.00 0.00 H new ATOM 0 HB2 MET A 30 11.897 4.248 4.150 1.00 0.00 H new ATOM 0 HB3 MET A 30 11.886 4.965 5.749 1.00 0.00 H new ATOM 0 HG2 MET A 30 11.504 2.002 5.582 1.00 0.00 H new ATOM 0 HG3 MET A 30 13.096 2.626 5.197 1.00 0.00 H new ATOM 0 HE1 MET A 30 10.718 2.858 9.031 1.00 0.00 H new ATOM 0 HE2 MET A 30 10.313 2.143 7.452 1.00 0.00 H new ATOM 0 HE3 MET A 30 11.337 1.246 8.598 1.00 0.00 H new ATOM 428 N CYS A 31 8.220 5.436 4.274 1.00 0.00 N ATOM 429 CA CYS A 31 7.582 6.663 3.810 1.00 0.00 C ATOM 430 C CYS A 31 6.331 6.967 4.627 1.00 0.00 C ATOM 431 O CYS A 31 5.627 6.057 5.067 1.00 0.00 O ATOM 432 CB CYS A 31 7.222 6.546 2.328 1.00 0.00 C ATOM 433 SG CYS A 31 7.171 8.128 1.454 1.00 0.00 S ATOM 0 H CYS A 31 7.628 4.607 4.223 1.00 0.00 H new ATOM 0 HA CYS A 31 8.288 7.483 3.941 1.00 0.00 H new ATOM 0 HB2 CYS A 31 7.948 5.896 1.839 1.00 0.00 H new ATOM 0 HB3 CYS A 31 6.249 6.062 2.238 1.00 0.00 H new ATOM 0 HG CYS A 31 6.861 7.926 0.208 1.00 0.00 H new ATOM 439 N ASP A 32 6.060 8.252 4.829 1.00 0.00 N ATOM 440 CA ASP A 32 4.894 8.677 5.594 1.00 0.00 C ATOM 441 C ASP A 32 3.621 8.547 4.763 1.00 0.00 C ATOM 442 O ASP A 32 3.676 8.270 3.565 1.00 0.00 O ATOM 443 CB ASP A 32 5.065 10.123 6.064 1.00 0.00 C ATOM 444 CG ASP A 32 6.424 10.372 6.687 1.00 0.00 C ATOM 445 OD1 ASP A 32 7.384 10.630 5.932 1.00 0.00 O ATOM 446 OD2 ASP A 32 6.528 10.309 7.930 1.00 0.00 O ATOM 0 H ASP A 32 6.633 9.018 4.473 1.00 0.00 H new ATOM 0 HA ASP A 32 4.806 8.028 6.465 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.928 10.796 5.217 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.287 10.361 6.789 1.00 0.00 H new ATOM 451 N PHE A 33 2.477 8.746 5.408 1.00 0.00 N ATOM 452 CA PHE A 33 1.190 8.649 4.729 1.00 0.00 C ATOM 453 C PHE A 33 0.648 10.034 4.389 1.00 0.00 C ATOM 454 O PHE A 33 1.055 11.033 4.982 1.00 0.00 O ATOM 455 CB PHE A 33 0.184 7.895 5.602 1.00 0.00 C ATOM 456 CG PHE A 33 0.786 6.738 6.347 1.00 0.00 C ATOM 457 CD1 PHE A 33 1.243 5.621 5.666 1.00 0.00 C ATOM 458 CD2 PHE A 33 0.895 6.767 7.728 1.00 0.00 C ATOM 459 CE1 PHE A 33 1.798 4.555 6.348 1.00 0.00 C ATOM 460 CE2 PHE A 33 1.449 5.704 8.415 1.00 0.00 C ATOM 461 CZ PHE A 33 1.900 4.596 7.725 1.00 0.00 C ATOM 0 H PHE A 33 2.414 8.975 6.400 1.00 0.00 H new ATOM 0 HA PHE A 33 1.339 8.099 3.800 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.255 8.589 6.318 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.628 7.529 4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 33 1.164 5.583 4.590 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.543 7.630 8.273 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.152 3.691 5.805 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.529 5.740 9.491 1.00 0.00 H new ATOM 0 HZ PHE A 33 2.331 3.763 8.261 1.00 0.00 H new ATOM 471 N GLU A 34 -0.273 10.085 3.431 1.00 0.00 N ATOM 472 CA GLU A 34 -0.870 11.347 3.012 1.00 0.00 C ATOM 473 C GLU A 34 -2.341 11.413 3.411 1.00 0.00 C ATOM 474 O GLU A 34 -3.037 10.397 3.427 1.00 0.00 O ATOM 475 CB GLU A 34 -0.732 11.524 1.498 1.00 0.00 C ATOM 476 CG GLU A 34 -0.609 12.975 1.064 1.00 0.00 C ATOM 477 CD GLU A 34 0.474 13.721 1.819 1.00 0.00 C ATOM 478 OE1 GLU A 34 1.665 13.404 1.615 1.00 0.00 O ATOM 479 OE2 GLU A 34 0.130 14.621 2.613 1.00 0.00 O ATOM 0 H GLU A 34 -0.621 9.267 2.931 1.00 0.00 H new ATOM 0 HA GLU A 34 -0.339 12.155 3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 34 0.145 10.975 1.155 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.598 11.079 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.394 13.014 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.564 13.478 1.216 1.00 0.00 H new ATOM 486 N SER A 35 -2.808 12.615 3.734 1.00 0.00 N ATOM 487 CA SER A 35 -4.195 12.813 4.138 1.00 0.00 C ATOM 488 C SER A 35 -5.151 12.222 3.106 1.00 0.00 C ATOM 489 O SER A 35 -6.305 11.923 3.412 1.00 0.00 O ATOM 490 CB SER A 35 -4.486 14.303 4.324 1.00 0.00 C ATOM 491 OG SER A 35 -5.773 14.506 4.881 1.00 0.00 O ATOM 0 H SER A 35 -2.246 13.466 3.724 1.00 0.00 H new ATOM 0 HA SER A 35 -4.348 12.299 5.087 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.731 14.746 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.418 14.813 3.363 1.00 0.00 H new ATOM 0 HG SER A 35 -6.064 13.690 5.339 1.00 0.00 H new ATOM 497 N ARG A 36 -4.661 12.057 1.881 1.00 0.00 N ATOM 498 CA ARG A 36 -5.471 11.503 0.803 1.00 0.00 C ATOM 499 C ARG A 36 -4.856 10.213 0.268 1.00 0.00 C ATOM 500 O ARG A 36 -4.580 10.095 -0.926 1.00 0.00 O ATOM 501 CB ARG A 36 -5.614 12.521 -0.331 1.00 0.00 C ATOM 502 CG ARG A 36 -6.297 13.811 0.092 1.00 0.00 C ATOM 503 CD ARG A 36 -6.120 14.903 -0.952 1.00 0.00 C ATOM 504 NE ARG A 36 -6.635 16.189 -0.491 1.00 0.00 N ATOM 505 CZ ARG A 36 -6.225 17.359 -0.969 1.00 0.00 C ATOM 506 NH1 ARG A 36 -5.299 17.403 -1.917 1.00 0.00 N ATOM 507 NH2 ARG A 36 -6.741 18.487 -0.499 1.00 0.00 N ATOM 0 H ARG A 36 -3.708 12.299 1.611 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.458 11.275 1.205 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.625 12.755 -0.724 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.182 12.069 -1.144 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.359 13.626 0.251 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -5.886 14.146 1.044 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.063 15.003 -1.197 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.634 14.614 -1.869 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.349 16.189 0.238 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.900 16.538 -2.281 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.986 18.302 -2.283 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.453 18.457 0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.425 19.384 -0.867 1.00 0.00 H new ATOM 521 N GLN A 37 -4.643 9.251 1.160 1.00 0.00 N ATOM 522 CA GLN A 37 -4.059 7.971 0.777 1.00 0.00 C ATOM 523 C GLN A 37 -4.609 6.842 1.643 1.00 0.00 C ATOM 524 O GLN A 37 -4.659 6.953 2.868 1.00 0.00 O ATOM 525 CB GLN A 37 -2.535 8.026 0.896 1.00 0.00 C ATOM 526 CG GLN A 37 -1.883 8.997 -0.075 1.00 0.00 C ATOM 527 CD GLN A 37 -1.609 8.372 -1.429 1.00 0.00 C ATOM 528 OE1 GLN A 37 -1.559 7.149 -1.563 1.00 0.00 O ATOM 529 NE2 GLN A 37 -1.431 9.211 -2.443 1.00 0.00 N ATOM 0 H GLN A 37 -4.866 9.334 2.152 1.00 0.00 H new ATOM 0 HA GLN A 37 -4.328 7.773 -0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.269 8.310 1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -2.130 7.029 0.726 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.529 9.865 -0.204 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.947 9.357 0.351 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.481 10.218 -2.287 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.244 8.849 -3.378 1.00 0.00 H new ATOM 538 N LEU A 38 -5.020 5.755 0.998 1.00 0.00 N ATOM 539 CA LEU A 38 -5.566 4.605 1.709 1.00 0.00 C ATOM 540 C LEU A 38 -4.472 3.868 2.475 1.00 0.00 C ATOM 541 O LEU A 38 -3.471 3.444 1.895 1.00 0.00 O ATOM 542 CB LEU A 38 -6.248 3.650 0.726 1.00 0.00 C ATOM 543 CG LEU A 38 -7.407 2.826 1.287 1.00 0.00 C ATOM 544 CD1 LEU A 38 -8.709 3.606 1.196 1.00 0.00 C ATOM 545 CD2 LEU A 38 -7.525 1.500 0.549 1.00 0.00 C ATOM 0 H LEU A 38 -4.985 5.647 -0.016 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.303 4.968 2.425 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.617 4.232 -0.118 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.496 2.964 0.336 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.205 2.618 2.338 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -9.523 3.004 1.600 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -8.621 4.529 1.769 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.918 3.845 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.355 0.927 0.962 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.704 1.688 -0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.600 0.935 0.666 1.00 0.00 H new ATOM 557 N LEU A 39 -4.670 3.717 3.780 1.00 0.00 N ATOM 558 CA LEU A 39 -3.701 3.029 4.626 1.00 0.00 C ATOM 559 C LEU A 39 -4.321 1.792 5.268 1.00 0.00 C ATOM 560 O LEU A 39 -5.540 1.619 5.257 1.00 0.00 O ATOM 561 CB LEU A 39 -3.179 3.974 5.710 1.00 0.00 C ATOM 562 CG LEU A 39 -3.021 5.439 5.303 1.00 0.00 C ATOM 563 CD1 LEU A 39 -2.774 6.309 6.526 1.00 0.00 C ATOM 564 CD2 LEU A 39 -1.888 5.595 4.299 1.00 0.00 C ATOM 0 H LEU A 39 -5.492 4.062 4.275 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.868 2.711 3.999 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.856 3.926 6.563 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.211 3.606 6.050 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.947 5.766 4.830 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.664 7.348 6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -3.617 6.221 7.211 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.863 5.981 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.790 6.644 4.021 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.956 5.250 4.746 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.105 5.003 3.410 1.00 0.00 H new ATOM 576 N ARG A 40 -3.474 0.936 5.830 1.00 0.00 N ATOM 577 CA ARG A 40 -3.938 -0.284 6.478 1.00 0.00 C ATOM 578 C ARG A 40 -3.340 -0.419 7.876 1.00 0.00 C ATOM 579 O ARG A 40 -2.121 -0.445 8.041 1.00 0.00 O ATOM 580 CB ARG A 40 -3.571 -1.507 5.635 1.00 0.00 C ATOM 581 CG ARG A 40 -4.570 -1.806 4.529 1.00 0.00 C ATOM 582 CD ARG A 40 -5.695 -2.703 5.022 1.00 0.00 C ATOM 583 NE ARG A 40 -6.846 -2.680 4.123 1.00 0.00 N ATOM 584 CZ ARG A 40 -6.952 -3.449 3.045 1.00 0.00 C ATOM 585 NH1 ARG A 40 -5.981 -4.297 2.733 1.00 0.00 N ATOM 586 NH2 ARG A 40 -8.030 -3.371 2.276 1.00 0.00 N ATOM 0 H ARG A 40 -2.462 1.065 5.849 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.023 -0.226 6.569 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.587 -1.351 5.192 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.492 -2.377 6.287 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.987 -0.872 4.151 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.058 -2.287 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.329 -3.725 5.116 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -6.005 -2.382 6.017 1.00 0.00 H new ATOM 0 HE ARG A 40 -7.610 -2.038 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.150 -4.360 3.321 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.065 -4.886 1.905 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.779 -2.720 2.512 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.110 -3.962 1.449 1.00 0.00 H new ATOM 600 N VAL A 41 -4.208 -0.503 8.880 1.00 0.00 N ATOM 601 CA VAL A 41 -3.766 -0.635 10.263 1.00 0.00 C ATOM 602 C VAL A 41 -3.664 -2.101 10.669 1.00 0.00 C ATOM 603 O VAL A 41 -4.677 -2.784 10.828 1.00 0.00 O ATOM 604 CB VAL A 41 -4.723 0.089 11.229 1.00 0.00 C ATOM 605 CG1 VAL A 41 -4.274 -0.105 12.669 1.00 0.00 C ATOM 606 CG2 VAL A 41 -4.810 1.568 10.883 1.00 0.00 C ATOM 0 H VAL A 41 -5.221 -0.482 8.761 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.780 -0.174 10.327 1.00 0.00 H new ATOM 0 HB VAL A 41 -5.717 -0.344 11.122 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.962 0.413 13.337 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.268 -1.168 12.908 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -3.270 0.301 12.795 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -5.490 2.064 11.575 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.821 2.019 10.961 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -5.182 1.682 9.865 1.00 0.00 H new ATOM 616 N LEU A 42 -2.436 -2.578 10.837 1.00 0.00 N ATOM 617 CA LEU A 42 -2.200 -3.964 11.226 1.00 0.00 C ATOM 618 C LEU A 42 -2.865 -4.275 12.564 1.00 0.00 C ATOM 619 O LEU A 42 -3.179 -3.382 13.351 1.00 0.00 O ATOM 620 CB LEU A 42 -0.699 -4.242 11.313 1.00 0.00 C ATOM 621 CG LEU A 42 0.016 -4.492 9.985 1.00 0.00 C ATOM 622 CD1 LEU A 42 1.436 -4.981 10.226 1.00 0.00 C ATOM 623 CD2 LEU A 42 -0.760 -5.495 9.143 1.00 0.00 C ATOM 0 H LEU A 42 -1.588 -2.026 10.710 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.639 -4.609 10.464 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.221 -3.395 11.806 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -0.547 -5.111 11.953 1.00 0.00 H new ATOM 0 HG LEU A 42 0.067 -3.550 9.439 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.929 -5.153 9.269 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.989 -4.229 10.789 1.00 0.00 H new ATOM 0 HD13 LEU A 42 1.409 -5.911 10.793 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.237 -5.661 8.201 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -0.842 -6.438 9.684 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -1.757 -5.105 8.940 1.00 0.00 H new ATOM 635 N PRO A 43 -3.083 -5.571 12.830 1.00 0.00 N ATOM 636 CA PRO A 43 -3.710 -6.030 14.073 1.00 0.00 C ATOM 637 C PRO A 43 -2.805 -5.832 15.285 1.00 0.00 C ATOM 638 O PRO A 43 -3.102 -6.314 16.379 1.00 0.00 O ATOM 639 CB PRO A 43 -3.948 -7.521 13.821 1.00 0.00 C ATOM 640 CG PRO A 43 -2.927 -7.901 12.806 1.00 0.00 C ATOM 641 CD PRO A 43 -2.734 -6.689 11.937 1.00 0.00 C ATOM 0 HA PRO A 43 -4.618 -5.473 14.302 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -3.831 -8.101 14.737 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -4.958 -7.704 13.454 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.991 -8.191 13.284 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -3.262 -8.754 12.216 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.708 -6.611 11.578 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.378 -6.718 11.058 1.00 0.00 H new ATOM 649 N CYS A 44 -1.701 -5.121 15.084 1.00 0.00 N ATOM 650 CA CYS A 44 -0.753 -4.860 16.160 1.00 0.00 C ATOM 651 C CYS A 44 -0.631 -3.362 16.426 1.00 0.00 C ATOM 652 O CYS A 44 0.353 -2.901 17.003 1.00 0.00 O ATOM 653 CB CYS A 44 0.619 -5.439 15.811 1.00 0.00 C ATOM 654 SG CYS A 44 1.095 -5.226 14.065 1.00 0.00 S ATOM 0 H CYS A 44 -1.441 -4.715 14.185 1.00 0.00 H new ATOM 0 HA CYS A 44 -1.125 -5.343 17.063 1.00 0.00 H new ATOM 0 HB2 CYS A 44 1.372 -4.966 16.442 1.00 0.00 H new ATOM 0 HB3 CYS A 44 0.624 -6.502 16.051 1.00 0.00 H new ATOM 0 HG CYS A 44 1.929 -4.234 13.960 1.00 0.00 H new ATOM 659 N ASN A 45 -1.640 -2.607 16.001 1.00 0.00 N ATOM 660 CA ASN A 45 -1.647 -1.162 16.192 1.00 0.00 C ATOM 661 C ASN A 45 -0.521 -0.503 15.401 1.00 0.00 C ATOM 662 O ASN A 45 0.300 0.226 15.958 1.00 0.00 O ATOM 663 CB ASN A 45 -1.507 -0.823 17.678 1.00 0.00 C ATOM 664 CG ASN A 45 -1.505 0.672 17.932 1.00 0.00 C ATOM 665 OD1 ASN A 45 -0.525 1.227 18.430 1.00 0.00 O ATOM 666 ND2 ASN A 45 -2.605 1.332 17.590 1.00 0.00 N ATOM 0 H ASN A 45 -2.463 -2.973 15.522 1.00 0.00 H new ATOM 0 HA ASN A 45 -2.598 -0.777 15.825 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -2.326 -1.282 18.231 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -0.583 -1.255 18.061 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -2.662 2.340 17.737 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -3.393 0.831 17.180 1.00 0.00 H new ATOM 673 N HIS A 46 -0.490 -0.764 14.098 1.00 0.00 N ATOM 674 CA HIS A 46 0.534 -0.195 13.229 1.00 0.00 C ATOM 675 C HIS A 46 -0.063 0.227 11.890 1.00 0.00 C ATOM 676 O HIS A 46 -0.813 -0.526 11.270 1.00 0.00 O ATOM 677 CB HIS A 46 1.660 -1.205 13.003 1.00 0.00 C ATOM 678 CG HIS A 46 2.622 -1.296 14.147 1.00 0.00 C ATOM 679 ND1 HIS A 46 3.199 -2.480 14.553 1.00 0.00 N ATOM 680 CD2 HIS A 46 3.109 -0.339 14.972 1.00 0.00 C ATOM 681 CE1 HIS A 46 3.998 -2.249 15.580 1.00 0.00 C ATOM 682 NE2 HIS A 46 3.962 -0.957 15.853 1.00 0.00 N ATOM 0 H HIS A 46 -1.162 -1.365 13.621 1.00 0.00 H new ATOM 0 HA HIS A 46 0.942 0.689 13.720 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.225 -2.188 12.826 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.206 -0.931 12.100 1.00 0.00 H new ATOM 0 HD2 HIS A 46 2.871 0.714 14.943 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.581 -2.990 16.106 1.00 0.00 H new ATOM 0 HE2 HIS A 46 4.483 -0.494 16.597 1.00 0.00 H new ATOM 690 N GLU A 47 0.275 1.435 11.451 1.00 0.00 N ATOM 691 CA GLU A 47 -0.230 1.957 10.186 1.00 0.00 C ATOM 692 C GLU A 47 0.695 1.577 9.033 1.00 0.00 C ATOM 693 O GLU A 47 1.913 1.507 9.196 1.00 0.00 O ATOM 694 CB GLU A 47 -0.375 3.478 10.258 1.00 0.00 C ATOM 695 CG GLU A 47 -1.422 3.944 11.255 1.00 0.00 C ATOM 696 CD GLU A 47 -1.997 5.303 10.905 1.00 0.00 C ATOM 697 OE1 GLU A 47 -1.900 5.702 9.726 1.00 0.00 O ATOM 698 OE2 GLU A 47 -2.545 5.967 11.810 1.00 0.00 O ATOM 0 H GLU A 47 0.896 2.070 11.952 1.00 0.00 H new ATOM 0 HA GLU A 47 -1.209 1.514 10.005 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.588 3.914 10.525 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.633 3.857 9.269 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.229 3.212 11.298 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -0.978 3.987 12.249 1.00 0.00 H new ATOM 705 N PHE A 48 0.106 1.330 7.867 1.00 0.00 N ATOM 706 CA PHE A 48 0.876 0.955 6.686 1.00 0.00 C ATOM 707 C PHE A 48 0.176 1.418 5.412 1.00 0.00 C ATOM 708 O PHE A 48 -0.948 1.920 5.454 1.00 0.00 O ATOM 709 CB PHE A 48 1.082 -0.560 6.647 1.00 0.00 C ATOM 710 CG PHE A 48 1.859 -1.090 7.817 1.00 0.00 C ATOM 711 CD1 PHE A 48 3.245 -1.095 7.801 1.00 0.00 C ATOM 712 CD2 PHE A 48 1.204 -1.584 8.934 1.00 0.00 C ATOM 713 CE1 PHE A 48 3.963 -1.582 8.878 1.00 0.00 C ATOM 714 CE2 PHE A 48 1.917 -2.072 10.013 1.00 0.00 C ATOM 715 CZ PHE A 48 3.298 -2.072 9.984 1.00 0.00 C ATOM 0 H PHE A 48 -0.901 1.383 7.715 1.00 0.00 H new ATOM 0 HA PHE A 48 1.848 1.445 6.744 1.00 0.00 H new ATOM 0 HB2 PHE A 48 0.109 -1.050 6.615 1.00 0.00 H new ATOM 0 HB3 PHE A 48 1.602 -0.824 5.726 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.770 -0.714 6.938 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.124 -1.588 8.962 1.00 0.00 H new ATOM 0 HE1 PHE A 48 5.043 -1.579 8.854 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.395 -2.453 10.878 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.857 -2.455 10.825 1.00 0.00 H new ATOM 725 N HIS A 49 0.850 1.247 4.279 1.00 0.00 N ATOM 726 CA HIS A 49 0.294 1.647 2.991 1.00 0.00 C ATOM 727 C HIS A 49 -0.509 0.509 2.368 1.00 0.00 C ATOM 728 O HIS A 49 0.039 -0.544 2.043 1.00 0.00 O ATOM 729 CB HIS A 49 1.411 2.078 2.041 1.00 0.00 C ATOM 730 CG HIS A 49 1.757 3.532 2.143 1.00 0.00 C ATOM 731 ND1 HIS A 49 3.030 4.020 1.932 1.00 0.00 N ATOM 732 CD2 HIS A 49 0.988 4.607 2.435 1.00 0.00 C ATOM 733 CE1 HIS A 49 3.028 5.331 2.091 1.00 0.00 C ATOM 734 NE2 HIS A 49 1.801 5.712 2.396 1.00 0.00 N ATOM 0 H HIS A 49 1.781 0.834 4.227 1.00 0.00 H new ATOM 0 HA HIS A 49 -0.375 2.491 3.159 1.00 0.00 H new ATOM 0 HB2 HIS A 49 2.302 1.486 2.249 1.00 0.00 H new ATOM 0 HB3 HIS A 49 1.112 1.855 1.017 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.845 3.456 1.691 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -0.069 4.597 2.657 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.884 5.981 1.989 1.00 0.00 H new ATOM 742 N ALA A 50 -1.809 0.727 2.206 1.00 0.00 N ATOM 743 CA ALA A 50 -2.686 -0.280 1.621 1.00 0.00 C ATOM 744 C ALA A 50 -1.994 -1.014 0.478 1.00 0.00 C ATOM 745 O ALA A 50 -2.202 -2.211 0.278 1.00 0.00 O ATOM 746 CB ALA A 50 -3.976 0.363 1.134 1.00 0.00 C ATOM 0 H ALA A 50 -2.279 1.592 2.472 1.00 0.00 H new ATOM 0 HA ALA A 50 -2.926 -1.010 2.394 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -4.622 -0.400 0.699 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -4.487 0.835 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -3.745 1.115 0.380 1.00 0.00 H new ATOM 752 N LYS A 51 -1.169 -0.289 -0.270 1.00 0.00 N ATOM 753 CA LYS A 51 -0.444 -0.871 -1.394 1.00 0.00 C ATOM 754 C LYS A 51 0.776 -1.649 -0.911 1.00 0.00 C ATOM 755 O LYS A 51 0.976 -2.805 -1.284 1.00 0.00 O ATOM 756 CB LYS A 51 -0.010 0.225 -2.370 1.00 0.00 C ATOM 757 CG LYS A 51 0.843 1.306 -1.730 1.00 0.00 C ATOM 758 CD LYS A 51 1.133 2.436 -2.703 1.00 0.00 C ATOM 759 CE LYS A 51 2.304 2.101 -3.614 1.00 0.00 C ATOM 760 NZ LYS A 51 3.613 2.299 -2.931 1.00 0.00 N ATOM 0 H LYS A 51 -0.986 0.703 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 51 -1.113 -1.562 -1.907 1.00 0.00 H new ATOM 0 HB2 LYS A 51 0.548 -0.229 -3.189 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -0.897 0.684 -2.805 1.00 0.00 H new ATOM 0 HG2 LYS A 51 0.332 1.702 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.781 0.873 -1.384 1.00 0.00 H new ATOM 0 HD2 LYS A 51 0.247 2.635 -3.306 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.352 3.348 -2.148 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.221 1.066 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.261 2.727 -4.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.371 1.873 -3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 3.795 3.317 -2.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.589 1.845 -1.995 1.00 0.00 H new ATOM 774 N CYS A 52 1.588 -1.008 -0.077 1.00 0.00 N ATOM 775 CA CYS A 52 2.788 -1.639 0.458 1.00 0.00 C ATOM 776 C CYS A 52 2.436 -2.896 1.248 1.00 0.00 C ATOM 777 O CYS A 52 2.786 -4.008 0.855 1.00 0.00 O ATOM 778 CB CYS A 52 3.550 -0.658 1.353 1.00 0.00 C ATOM 779 SG CYS A 52 4.085 0.862 0.502 1.00 0.00 S ATOM 0 H CYS A 52 1.436 -0.051 0.243 1.00 0.00 H new ATOM 0 HA CYS A 52 3.423 -1.924 -0.381 1.00 0.00 H new ATOM 0 HB2 CYS A 52 2.917 -0.385 2.197 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.427 -1.161 1.762 1.00 0.00 H new ATOM 0 HG CYS A 52 4.958 1.486 1.236 1.00 0.00 H new ATOM 784 N VAL A 53 1.739 -2.710 2.365 1.00 0.00 N ATOM 785 CA VAL A 53 1.336 -3.828 3.210 1.00 0.00 C ATOM 786 C VAL A 53 0.739 -4.958 2.379 1.00 0.00 C ATOM 787 O VAL A 53 0.894 -6.134 2.709 1.00 0.00 O ATOM 788 CB VAL A 53 0.311 -3.389 4.272 1.00 0.00 C ATOM 789 CG1 VAL A 53 -1.040 -3.113 3.628 1.00 0.00 C ATOM 790 CG2 VAL A 53 0.187 -4.444 5.360 1.00 0.00 C ATOM 0 H VAL A 53 1.442 -1.796 2.706 1.00 0.00 H new ATOM 0 HA VAL A 53 2.236 -4.186 3.711 1.00 0.00 H new ATOM 0 HB VAL A 53 0.663 -2.466 4.732 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.752 -2.804 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.935 -2.319 2.888 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.402 -4.018 3.140 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -0.541 -4.117 6.102 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -0.142 -5.385 4.919 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.155 -4.587 5.840 1.00 0.00 H new ATOM 800 N ASP A 54 0.056 -4.593 1.299 1.00 0.00 N ATOM 801 CA ASP A 54 -0.564 -5.577 0.418 1.00 0.00 C ATOM 802 C ASP A 54 0.491 -6.465 -0.233 1.00 0.00 C ATOM 803 O ASP A 54 0.345 -7.686 -0.284 1.00 0.00 O ATOM 804 CB ASP A 54 -1.394 -4.876 -0.658 1.00 0.00 C ATOM 805 CG ASP A 54 -1.885 -5.835 -1.725 1.00 0.00 C ATOM 806 OD1 ASP A 54 -2.828 -6.603 -1.443 1.00 0.00 O ATOM 807 OD2 ASP A 54 -1.327 -5.817 -2.842 1.00 0.00 O ATOM 0 H ASP A 54 -0.082 -3.624 1.013 1.00 0.00 H new ATOM 0 HA ASP A 54 -1.220 -6.206 1.020 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -2.249 -4.386 -0.192 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -0.794 -4.094 -1.124 1.00 0.00 H new ATOM 812 N LYS A 55 1.555 -5.844 -0.730 1.00 0.00 N ATOM 813 CA LYS A 55 2.636 -6.577 -1.378 1.00 0.00 C ATOM 814 C LYS A 55 3.512 -7.280 -0.346 1.00 0.00 C ATOM 815 O LYS A 55 3.931 -8.420 -0.548 1.00 0.00 O ATOM 816 CB LYS A 55 3.489 -5.628 -2.224 1.00 0.00 C ATOM 817 CG LYS A 55 4.669 -6.306 -2.897 1.00 0.00 C ATOM 818 CD LYS A 55 5.587 -5.296 -3.564 1.00 0.00 C ATOM 819 CE LYS A 55 6.726 -5.981 -4.303 1.00 0.00 C ATOM 820 NZ LYS A 55 7.528 -5.015 -5.105 1.00 0.00 N ATOM 0 H LYS A 55 1.692 -4.834 -0.696 1.00 0.00 H new ATOM 0 HA LYS A 55 2.191 -7.332 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.860 -5.171 -2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 55 3.858 -4.822 -1.590 1.00 0.00 H new ATOM 0 HG2 LYS A 55 5.231 -6.877 -2.158 1.00 0.00 H new ATOM 0 HG3 LYS A 55 4.306 -7.016 -3.640 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.013 -4.687 -4.262 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.994 -4.620 -2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.374 -6.483 -3.585 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.321 -6.751 -4.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 8.294 -5.521 -5.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.915 -4.554 -5.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 7.935 -4.295 -4.475 1.00 0.00 H new ATOM 834 N TRP A 56 3.784 -6.594 0.758 1.00 0.00 N ATOM 835 CA TRP A 56 4.609 -7.155 1.822 1.00 0.00 C ATOM 836 C TRP A 56 4.001 -8.446 2.359 1.00 0.00 C ATOM 837 O TRP A 56 4.634 -9.503 2.326 1.00 0.00 O ATOM 838 CB TRP A 56 4.771 -6.143 2.957 1.00 0.00 C ATOM 839 CG TRP A 56 5.436 -6.714 4.172 1.00 0.00 C ATOM 840 CD1 TRP A 56 4.822 -7.192 5.295 1.00 0.00 C ATOM 841 CD2 TRP A 56 6.844 -6.865 4.388 1.00 0.00 C ATOM 842 NE1 TRP A 56 5.763 -7.631 6.195 1.00 0.00 N ATOM 843 CE2 TRP A 56 7.011 -7.442 5.662 1.00 0.00 C ATOM 844 CE3 TRP A 56 7.979 -6.570 3.628 1.00 0.00 C ATOM 845 CZ2 TRP A 56 8.267 -7.728 6.190 1.00 0.00 C ATOM 846 CZ3 TRP A 56 9.225 -6.854 4.153 1.00 0.00 C ATOM 847 CH2 TRP A 56 9.361 -7.429 5.424 1.00 0.00 C ATOM 0 H TRP A 56 3.446 -5.649 0.940 1.00 0.00 H new ATOM 0 HA TRP A 56 5.590 -7.383 1.405 1.00 0.00 H new ATOM 0 HB2 TRP A 56 5.354 -5.295 2.597 1.00 0.00 H new ATOM 0 HB3 TRP A 56 3.789 -5.760 3.235 1.00 0.00 H new ATOM 0 HD1 TRP A 56 3.754 -7.221 5.452 1.00 0.00 H new ATOM 0 HE1 TRP A 56 5.565 -8.033 7.111 1.00 0.00 H new ATOM 0 HE3 TRP A 56 7.884 -6.128 2.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 8.374 -8.170 7.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 10.109 -6.629 3.574 1.00 0.00 H new ATOM 0 HH2 TRP A 56 10.349 -7.640 5.806 1.00 0.00 H new ATOM 858 N LEU A 57 2.771 -8.356 2.853 1.00 0.00 N ATOM 859 CA LEU A 57 2.078 -9.518 3.397 1.00 0.00 C ATOM 860 C LEU A 57 2.250 -10.730 2.487 1.00 0.00 C ATOM 861 O LEU A 57 2.236 -11.873 2.947 1.00 0.00 O ATOM 862 CB LEU A 57 0.591 -9.210 3.579 1.00 0.00 C ATOM 863 CG LEU A 57 0.241 -8.221 4.691 1.00 0.00 C ATOM 864 CD1 LEU A 57 -1.207 -7.774 4.572 1.00 0.00 C ATOM 865 CD2 LEU A 57 0.500 -8.839 6.057 1.00 0.00 C ATOM 0 H LEU A 57 2.233 -7.490 2.888 1.00 0.00 H new ATOM 0 HA LEU A 57 2.516 -9.750 4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.204 -8.820 2.638 1.00 0.00 H new ATOM 0 HB3 LEU A 57 0.068 -10.146 3.775 1.00 0.00 H new ATOM 0 HG LEU A 57 0.880 -7.344 4.585 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.438 -7.070 5.372 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.360 -7.290 3.608 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.863 -8.641 4.651 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.245 -8.120 6.836 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.112 -9.733 6.174 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.553 -9.107 6.141 1.00 0.00 H new ATOM 877 N LYS A 58 2.416 -10.474 1.194 1.00 0.00 N ATOM 878 CA LYS A 58 2.595 -11.543 0.218 1.00 0.00 C ATOM 879 C LYS A 58 3.888 -12.308 0.481 1.00 0.00 C ATOM 880 O LYS A 58 3.903 -13.538 0.482 1.00 0.00 O ATOM 881 CB LYS A 58 2.608 -10.969 -1.200 1.00 0.00 C ATOM 882 CG LYS A 58 2.063 -11.925 -2.248 1.00 0.00 C ATOM 883 CD LYS A 58 2.464 -11.502 -3.651 1.00 0.00 C ATOM 884 CE LYS A 58 1.649 -12.232 -4.707 1.00 0.00 C ATOM 885 NZ LYS A 58 0.224 -11.802 -4.705 1.00 0.00 N ATOM 0 H LYS A 58 2.430 -9.535 0.797 1.00 0.00 H new ATOM 0 HA LYS A 58 1.758 -12.235 0.315 1.00 0.00 H new ATOM 0 HB2 LYS A 58 2.020 -10.051 -1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 58 3.630 -10.698 -1.464 1.00 0.00 H new ATOM 0 HG2 LYS A 58 2.432 -12.931 -2.051 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.976 -11.965 -2.176 1.00 0.00 H new ATOM 0 HD2 LYS A 58 2.325 -10.427 -3.762 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.524 -11.704 -3.804 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.082 -12.049 -5.690 1.00 0.00 H new ATOM 0 HE3 LYS A 58 1.704 -13.306 -4.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -0.231 -12.105 -5.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -0.268 -12.234 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.174 -10.766 -4.627 1.00 0.00 H new ATOM 899 N ALA A 59 4.971 -11.571 0.704 1.00 0.00 N ATOM 900 CA ALA A 59 6.268 -12.180 0.972 1.00 0.00 C ATOM 901 C ALA A 59 6.396 -12.578 2.438 1.00 0.00 C ATOM 902 O ALA A 59 6.815 -13.691 2.755 1.00 0.00 O ATOM 903 CB ALA A 59 7.389 -11.228 0.582 1.00 0.00 C ATOM 0 H ALA A 59 4.976 -10.551 0.704 1.00 0.00 H new ATOM 0 HA ALA A 59 6.348 -13.085 0.369 1.00 0.00 H new ATOM 0 HB1 ALA A 59 8.352 -11.696 0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.317 -10.997 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 59 7.302 -10.308 1.160 1.00 0.00 H new ATOM 909 N ASN A 60 6.033 -11.661 3.329 1.00 0.00 N ATOM 910 CA ASN A 60 6.108 -11.917 4.763 1.00 0.00 C ATOM 911 C ASN A 60 4.730 -11.809 5.408 1.00 0.00 C ATOM 912 O ASN A 60 4.132 -10.733 5.441 1.00 0.00 O ATOM 913 CB ASN A 60 7.073 -10.933 5.428 1.00 0.00 C ATOM 914 CG ASN A 60 8.526 -11.301 5.194 1.00 0.00 C ATOM 915 OD1 ASN A 60 8.908 -11.428 3.928 1.00 0.00 O flip ATOM 916 ND2 ASN A 60 9.295 -11.469 6.140 1.00 0.00 N flip ATOM 0 H ASN A 60 5.684 -10.734 3.084 1.00 0.00 H new ATOM 0 HA ASN A 60 6.478 -12.932 4.906 1.00 0.00 H new ATOM 0 HB2 ASN A 60 6.888 -9.930 5.042 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.876 -10.904 6.500 1.00 0.00 H new ATOM 0 HD21 ASN A 60 8.958 -11.361 7.097 1.00 0.00 H new ATOM 0 HD22 ASN A 60 10.269 -11.716 5.967 1.00 0.00 H new ATOM 923 N ARG A 61 4.233 -12.930 5.920 1.00 0.00 N ATOM 924 CA ARG A 61 2.925 -12.962 6.564 1.00 0.00 C ATOM 925 C ARG A 61 3.011 -12.439 7.995 1.00 0.00 C ATOM 926 O ARG A 61 2.384 -12.983 8.905 1.00 0.00 O ATOM 927 CB ARG A 61 2.366 -14.386 6.562 1.00 0.00 C ATOM 928 CG ARG A 61 1.549 -14.717 5.324 1.00 0.00 C ATOM 929 CD ARG A 61 2.442 -15.018 4.131 1.00 0.00 C ATOM 930 NE ARG A 61 1.695 -15.604 3.022 1.00 0.00 N ATOM 931 CZ ARG A 61 2.249 -16.360 2.080 1.00 0.00 C ATOM 932 NH1 ARG A 61 3.548 -16.621 2.114 1.00 0.00 N ATOM 933 NH2 ARG A 61 1.502 -16.858 1.103 1.00 0.00 N ATOM 0 H ARG A 61 4.716 -13.828 5.901 1.00 0.00 H new ATOM 0 HA ARG A 61 2.254 -12.315 5.999 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.193 -15.092 6.641 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.743 -14.524 7.446 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.910 -15.576 5.528 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.892 -13.881 5.086 1.00 0.00 H new ATOM 0 HD2 ARG A 61 2.924 -14.099 3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 61 3.235 -15.701 4.435 1.00 0.00 H new ATOM 0 HE ARG A 61 0.693 -15.423 2.967 1.00 0.00 H new ATOM 0 HH11 ARG A 61 4.125 -16.241 2.865 1.00 0.00 H new ATOM 0 HH12 ARG A 61 3.971 -17.202 1.390 1.00 0.00 H new ATOM 0 HH21 ARG A 61 0.502 -16.661 1.075 1.00 0.00 H new ATOM 0 HH22 ARG A 61 1.928 -17.438 0.380 1.00 0.00 H new ATOM 947 N THR A 62 3.792 -11.381 8.188 1.00 0.00 N ATOM 948 CA THR A 62 3.962 -10.786 9.508 1.00 0.00 C ATOM 949 C THR A 62 4.217 -9.287 9.406 1.00 0.00 C ATOM 950 O THR A 62 4.507 -8.767 8.328 1.00 0.00 O ATOM 951 CB THR A 62 5.126 -11.443 10.274 1.00 0.00 C ATOM 952 OG1 THR A 62 6.361 -11.199 9.592 1.00 0.00 O ATOM 953 CG2 THR A 62 4.905 -12.941 10.414 1.00 0.00 C ATOM 0 H THR A 62 4.317 -10.918 7.446 1.00 0.00 H new ATOM 0 HA THR A 62 3.035 -10.957 10.055 1.00 0.00 H new ATOM 0 HB THR A 62 5.169 -11.004 11.271 1.00 0.00 H new ATOM 0 HG1 THR A 62 7.096 -11.618 10.086 1.00 0.00 H new ATOM 0 HG21 THR A 62 5.740 -13.383 10.958 1.00 0.00 H new ATOM 0 HG22 THR A 62 3.979 -13.123 10.960 1.00 0.00 H new ATOM 0 HG23 THR A 62 4.837 -13.393 9.424 1.00 0.00 H new ATOM 961 N CYS A 63 4.107 -8.595 10.535 1.00 0.00 N ATOM 962 CA CYS A 63 4.326 -7.154 10.575 1.00 0.00 C ATOM 963 C CYS A 63 5.808 -6.825 10.420 1.00 0.00 C ATOM 964 O CYS A 63 6.657 -7.302 11.172 1.00 0.00 O ATOM 965 CB CYS A 63 3.797 -6.573 11.887 1.00 0.00 C ATOM 966 SG CYS A 63 4.127 -4.793 12.098 1.00 0.00 S ATOM 0 H CYS A 63 3.867 -9.010 11.436 1.00 0.00 H new ATOM 0 HA CYS A 63 3.784 -6.706 9.743 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.721 -6.741 11.939 1.00 0.00 H new ATOM 0 HB3 CYS A 63 4.245 -7.116 12.719 1.00 0.00 H new ATOM 0 HG CYS A 63 4.676 -4.322 11.017 1.00 0.00 H new ATOM 971 N PRO A 64 6.126 -5.989 9.420 1.00 0.00 N ATOM 972 CA PRO A 64 7.505 -5.575 9.143 1.00 0.00 C ATOM 973 C PRO A 64 8.062 -4.654 10.223 1.00 0.00 C ATOM 974 O PRO A 64 9.143 -4.084 10.068 1.00 0.00 O ATOM 975 CB PRO A 64 7.391 -4.830 7.811 1.00 0.00 C ATOM 976 CG PRO A 64 5.984 -4.344 7.768 1.00 0.00 C ATOM 977 CD PRO A 64 5.165 -5.382 8.484 1.00 0.00 C ATOM 0 HA PRO A 64 8.188 -6.424 9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 64 8.098 -4.002 7.759 1.00 0.00 H new ATOM 0 HB3 PRO A 64 7.608 -5.488 6.970 1.00 0.00 H new ATOM 0 HG2 PRO A 64 5.892 -3.372 8.253 1.00 0.00 H new ATOM 0 HG3 PRO A 64 5.645 -4.221 6.739 1.00 0.00 H new ATOM 0 HD2 PRO A 64 4.320 -4.936 9.009 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.757 -6.119 7.792 1.00 0.00 H new ATOM 985 N ILE A 65 7.319 -4.513 11.315 1.00 0.00 N ATOM 986 CA ILE A 65 7.741 -3.662 12.420 1.00 0.00 C ATOM 987 C ILE A 65 7.990 -4.482 13.681 1.00 0.00 C ATOM 988 O ILE A 65 9.115 -4.549 14.179 1.00 0.00 O ATOM 989 CB ILE A 65 6.692 -2.576 12.727 1.00 0.00 C ATOM 990 CG1 ILE A 65 6.356 -1.788 11.459 1.00 0.00 C ATOM 991 CG2 ILE A 65 7.198 -1.644 13.818 1.00 0.00 C ATOM 992 CD1 ILE A 65 5.459 -0.596 11.708 1.00 0.00 C ATOM 0 H ILE A 65 6.422 -4.977 11.458 1.00 0.00 H new ATOM 0 HA ILE A 65 8.670 -3.182 12.112 1.00 0.00 H new ATOM 0 HB ILE A 65 5.783 -3.060 13.083 1.00 0.00 H new ATOM 0 HG12 ILE A 65 7.282 -1.445 10.998 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.872 -2.454 10.745 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.446 -0.882 14.024 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.392 -2.217 14.725 1.00 0.00 H new ATOM 0 HG23 ILE A 65 8.119 -1.164 13.488 1.00 0.00 H new ATOM 0 HD11 ILE A 65 5.263 -0.085 10.765 1.00 0.00 H new ATOM 0 HD12 ILE A 65 4.517 -0.933 12.141 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.950 0.091 12.398 1.00 0.00 H new ATOM 1004 N CYS A 66 6.935 -5.106 14.193 1.00 0.00 N ATOM 1005 CA CYS A 66 7.038 -5.924 15.396 1.00 0.00 C ATOM 1006 C CYS A 66 6.927 -7.407 15.056 1.00 0.00 C ATOM 1007 O CYS A 66 6.562 -8.223 15.903 1.00 0.00 O ATOM 1008 CB CYS A 66 5.948 -5.536 16.397 1.00 0.00 C ATOM 1009 SG CYS A 66 4.252 -5.810 15.793 1.00 0.00 S ATOM 0 H CYS A 66 5.998 -5.061 13.793 1.00 0.00 H new ATOM 0 HA CYS A 66 8.015 -5.744 15.845 1.00 0.00 H new ATOM 0 HB2 CYS A 66 6.092 -6.107 17.314 1.00 0.00 H new ATOM 0 HB3 CYS A 66 6.065 -4.483 16.655 1.00 0.00 H new ATOM 0 HG CYS A 66 4.178 -5.472 14.540 1.00 0.00 H new ATOM 1014 N ARG A 67 7.243 -7.749 13.811 1.00 0.00 N ATOM 1015 CA ARG A 67 7.178 -9.133 13.359 1.00 0.00 C ATOM 1016 C ARG A 67 5.959 -9.839 13.943 1.00 0.00 C ATOM 1017 O ARG A 67 5.947 -11.061 14.089 1.00 0.00 O ATOM 1018 CB ARG A 67 8.453 -9.882 13.754 1.00 0.00 C ATOM 1019 CG ARG A 67 9.553 -9.806 12.708 1.00 0.00 C ATOM 1020 CD ARG A 67 10.429 -8.579 12.910 1.00 0.00 C ATOM 1021 NE ARG A 67 11.036 -8.129 11.660 1.00 0.00 N ATOM 1022 CZ ARG A 67 11.753 -7.016 11.551 1.00 0.00 C ATOM 1023 NH1 ARG A 67 11.952 -6.245 12.611 1.00 0.00 N ATOM 1024 NH2 ARG A 67 12.273 -6.673 10.379 1.00 0.00 N ATOM 0 H ARG A 67 7.547 -7.086 13.098 1.00 0.00 H new ATOM 0 HA ARG A 67 7.089 -9.130 12.273 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.827 -9.474 14.693 1.00 0.00 H new ATOM 0 HB3 ARG A 67 8.208 -10.928 13.936 1.00 0.00 H new ATOM 0 HG2 ARG A 67 10.167 -10.705 12.758 1.00 0.00 H new ATOM 0 HG3 ARG A 67 9.109 -9.778 11.713 1.00 0.00 H new ATOM 0 HD2 ARG A 67 9.831 -7.772 13.334 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.213 -8.808 13.632 1.00 0.00 H new ATOM 0 HE ARG A 67 10.902 -8.700 10.826 1.00 0.00 H new ATOM 0 HH11 ARG A 67 11.554 -6.506 13.513 1.00 0.00 H new ATOM 0 HH12 ARG A 67 12.503 -5.391 12.524 1.00 0.00 H new ATOM 0 HH21 ARG A 67 12.122 -7.264 9.562 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.823 -5.818 10.296 1.00 0.00 H new ATOM 1038 N ALA A 68 4.934 -9.061 14.277 1.00 0.00 N ATOM 1039 CA ALA A 68 3.710 -9.612 14.844 1.00 0.00 C ATOM 1040 C ALA A 68 2.916 -10.383 13.794 1.00 0.00 C ATOM 1041 O ALA A 68 2.570 -9.842 12.744 1.00 0.00 O ATOM 1042 CB ALA A 68 2.858 -8.501 15.441 1.00 0.00 C ATOM 0 H ALA A 68 4.928 -8.047 14.164 1.00 0.00 H new ATOM 0 HA ALA A 68 3.988 -10.308 15.635 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.947 -8.927 15.861 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.418 -7.996 16.228 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.598 -7.784 14.663 1.00 0.00 H new ATOM 1048 N ASP A 69 2.633 -11.648 14.084 1.00 0.00 N ATOM 1049 CA ASP A 69 1.880 -12.493 13.165 1.00 0.00 C ATOM 1050 C ASP A 69 0.626 -11.777 12.672 1.00 0.00 C ATOM 1051 O ASP A 69 -0.291 -11.506 13.448 1.00 0.00 O ATOM 1052 CB ASP A 69 1.497 -13.808 13.845 1.00 0.00 C ATOM 1053 CG ASP A 69 0.659 -14.700 12.950 1.00 0.00 C ATOM 1054 OD1 ASP A 69 1.233 -15.340 12.044 1.00 0.00 O ATOM 1055 OD2 ASP A 69 -0.571 -14.758 13.156 1.00 0.00 O ATOM 0 H ASP A 69 2.914 -12.111 14.948 1.00 0.00 H new ATOM 0 HA ASP A 69 2.515 -12.709 12.306 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.403 -14.340 14.138 1.00 0.00 H new ATOM 0 HB3 ASP A 69 0.944 -13.593 14.759 1.00 0.00 H new ATOM 1060 N SER A 70 0.593 -11.473 11.379 1.00 0.00 N ATOM 1061 CA SER A 70 -0.546 -10.784 10.784 1.00 0.00 C ATOM 1062 C SER A 70 -1.573 -11.784 10.262 1.00 0.00 C ATOM 1063 O SER A 70 -2.134 -11.608 9.181 1.00 0.00 O ATOM 1064 CB SER A 70 -0.080 -9.873 9.646 1.00 0.00 C ATOM 1065 OG SER A 70 0.682 -8.787 10.142 1.00 0.00 O ATOM 0 H SER A 70 1.342 -11.693 10.723 1.00 0.00 H new ATOM 0 HA SER A 70 -1.016 -10.176 11.557 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.517 -10.447 8.938 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.945 -9.495 9.101 1.00 0.00 H new ATOM 0 HG SER A 70 0.969 -8.221 9.395 1.00 0.00 H new