USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 42:sc= 0.548 USER MOD Single : A 14 THR OG1 : rot -78:sc= 1.23 USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=0.18) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -159:sc= 0 (180deg=-0.379) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -0.374 X(o=-0.37,f=-0.014) USER MOD Single : A 59 LYS NZ :NH3+ 164:sc= -0.0739 (180deg=-0.341) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -7.851 -2.168 -31.880 1.00 0.00 N ATOM 2 CA ALA A 2 -8.762 -3.281 -32.253 1.00 0.00 C ATOM 3 C ALA A 2 -8.896 -4.282 -31.112 1.00 0.00 C ATOM 4 O ALA A 2 -9.096 -5.476 -31.339 1.00 0.00 O ATOM 5 CB ALA A 2 -8.258 -3.977 -33.508 1.00 0.00 C ATOM 0 HA ALA A 2 -9.747 -2.861 -32.454 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -8.935 -4.790 -33.770 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -8.216 -3.261 -34.329 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.261 -4.379 -33.326 1.00 0.00 H new ATOM 13 N SER A 3 -8.786 -3.788 -29.883 1.00 0.00 N ATOM 14 CA SER A 3 -8.895 -4.640 -28.704 1.00 0.00 C ATOM 15 C SER A 3 -10.153 -4.309 -27.908 1.00 0.00 C ATOM 16 O SER A 3 -10.848 -3.337 -28.203 1.00 0.00 O ATOM 17 CB SER A 3 -7.659 -4.478 -27.817 1.00 0.00 C ATOM 18 OG SER A 3 -7.700 -3.254 -27.104 1.00 0.00 O ATOM 0 H SER A 3 -8.622 -2.803 -29.678 1.00 0.00 H new ATOM 0 HA SER A 3 -8.961 -5.675 -29.039 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.600 -5.310 -27.115 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.759 -4.515 -28.431 1.00 0.00 H new ATOM 0 HG SER A 3 -6.900 -3.175 -26.543 1.00 0.00 H new ATOM 24 N THR A 4 -10.439 -5.124 -26.899 1.00 0.00 N ATOM 25 CA THR A 4 -11.614 -4.918 -26.060 1.00 0.00 C ATOM 26 C THR A 4 -11.537 -5.767 -24.795 1.00 0.00 C ATOM 27 O THR A 4 -11.807 -5.286 -23.695 1.00 0.00 O ATOM 28 CB THR A 4 -12.888 -5.256 -26.839 1.00 0.00 C ATOM 29 OG1 THR A 4 -14.024 -5.182 -25.997 1.00 0.00 O ATOM 30 CG2 THR A 4 -12.862 -6.639 -27.454 1.00 0.00 C ATOM 0 H THR A 4 -9.874 -5.933 -26.642 1.00 0.00 H new ATOM 0 HA THR A 4 -11.641 -3.868 -25.769 1.00 0.00 H new ATOM 0 HB THR A 4 -12.942 -4.519 -27.641 1.00 0.00 H new ATOM 0 HG1 THR A 4 -14.828 -5.400 -26.513 1.00 0.00 H new ATOM 0 HG21 THR A 4 -13.794 -6.816 -27.992 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.024 -6.714 -28.147 1.00 0.00 H new ATOM 0 HG23 THR A 4 -12.750 -7.385 -26.667 1.00 0.00 H new ATOM 38 N SER A 5 -11.165 -7.032 -24.960 1.00 0.00 N ATOM 39 CA SER A 5 -11.051 -7.949 -23.832 1.00 0.00 C ATOM 40 C SER A 5 -10.449 -9.280 -24.271 1.00 0.00 C ATOM 41 O SER A 5 -11.120 -10.098 -24.901 1.00 0.00 O ATOM 42 CB SER A 5 -12.422 -8.182 -23.194 1.00 0.00 C ATOM 43 OG SER A 5 -13.361 -8.634 -24.154 1.00 0.00 O ATOM 0 H SER A 5 -10.937 -7.446 -25.864 1.00 0.00 H new ATOM 0 HA SER A 5 -10.388 -7.496 -23.095 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.334 -8.916 -22.393 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.778 -7.257 -22.740 1.00 0.00 H new ATOM 0 HG SER A 5 -12.939 -9.299 -24.737 1.00 0.00 H new ATOM 49 N ARG A 6 -9.181 -9.491 -23.932 1.00 0.00 N ATOM 50 CA ARG A 6 -8.488 -10.723 -24.293 1.00 0.00 C ATOM 51 C ARG A 6 -7.763 -11.310 -23.087 1.00 0.00 C ATOM 52 O ARG A 6 -6.973 -10.628 -22.435 1.00 0.00 O ATOM 53 CB ARG A 6 -7.493 -10.461 -25.423 1.00 0.00 C ATOM 54 CG ARG A 6 -6.893 -11.728 -26.011 1.00 0.00 C ATOM 55 CD ARG A 6 -6.131 -11.439 -27.293 1.00 0.00 C ATOM 56 NE ARG A 6 -6.995 -11.490 -28.469 1.00 0.00 N ATOM 57 CZ ARG A 6 -6.546 -11.610 -29.717 1.00 0.00 C ATOM 58 NH1 ARG A 6 -5.242 -11.689 -29.954 1.00 0.00 N ATOM 59 NH2 ARG A 6 -7.401 -11.650 -30.729 1.00 0.00 N ATOM 0 H ARG A 6 -8.613 -8.825 -23.408 1.00 0.00 H new ATOM 0 HA ARG A 6 -9.232 -11.443 -24.634 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -7.994 -9.905 -26.215 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.689 -9.828 -25.048 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.223 -12.186 -25.284 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -7.686 -12.448 -26.212 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.669 -10.454 -27.225 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.324 -12.163 -27.405 1.00 0.00 H new ATOM 0 HE ARG A 6 -8.003 -11.430 -28.326 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -4.580 -11.658 -29.179 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -4.902 -11.781 -30.911 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -8.404 -11.589 -30.552 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -7.056 -11.742 -31.685 1.00 0.00 H new ATOM 73 N LEU A 7 -8.037 -12.582 -22.800 1.00 0.00 N ATOM 74 CA LEU A 7 -7.414 -13.273 -21.673 1.00 0.00 C ATOM 75 C LEU A 7 -7.870 -12.675 -20.344 1.00 0.00 C ATOM 76 O LEU A 7 -8.562 -13.329 -19.564 1.00 0.00 O ATOM 77 CB LEU A 7 -5.887 -13.213 -21.782 1.00 0.00 C ATOM 78 CG LEU A 7 -5.236 -14.445 -22.412 1.00 0.00 C ATOM 79 CD1 LEU A 7 -5.040 -14.239 -23.907 1.00 0.00 C ATOM 80 CD2 LEU A 7 -3.908 -14.752 -21.736 1.00 0.00 C ATOM 0 H LEU A 7 -8.689 -13.156 -23.335 1.00 0.00 H new ATOM 0 HA LEU A 7 -7.728 -14.316 -21.705 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -5.614 -12.336 -22.369 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.472 -13.071 -20.784 1.00 0.00 H new ATOM 0 HG LEU A 7 -5.900 -15.297 -22.267 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.576 -15.126 -24.339 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -6.007 -14.069 -24.381 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.397 -13.375 -24.074 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -3.460 -15.632 -22.198 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -3.237 -13.901 -21.849 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -4.075 -14.944 -20.676 1.00 0.00 H new ATOM 92 N ASP A 8 -7.477 -11.430 -20.092 1.00 0.00 N ATOM 93 CA ASP A 8 -7.845 -10.743 -18.858 1.00 0.00 C ATOM 94 C ASP A 8 -7.184 -11.400 -17.651 1.00 0.00 C ATOM 95 O ASP A 8 -7.753 -12.296 -17.028 1.00 0.00 O ATOM 96 CB ASP A 8 -9.368 -10.737 -18.685 1.00 0.00 C ATOM 97 CG ASP A 8 -9.960 -9.350 -18.840 1.00 0.00 C ATOM 98 OD1 ASP A 8 -9.255 -8.364 -18.538 1.00 0.00 O ATOM 99 OD2 ASP A 8 -11.132 -9.249 -19.263 1.00 0.00 O ATOM 0 H ASP A 8 -6.903 -10.875 -20.727 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.492 -9.714 -18.926 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -9.817 -11.405 -19.419 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -9.621 -11.129 -17.700 1.00 0.00 H new ATOM 104 N ALA A 9 -5.977 -10.947 -17.325 1.00 0.00 N ATOM 105 CA ALA A 9 -5.237 -11.488 -16.191 1.00 0.00 C ATOM 106 C ALA A 9 -4.620 -10.369 -15.358 1.00 0.00 C ATOM 107 O ALA A 9 -3.404 -10.177 -15.360 1.00 0.00 O ATOM 108 CB ALA A 9 -4.161 -12.448 -16.675 1.00 0.00 C ATOM 0 H ALA A 9 -5.491 -10.206 -17.831 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.935 -12.035 -15.556 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.616 -12.845 -15.819 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.625 -13.269 -17.222 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.470 -11.919 -17.332 1.00 0.00 H new ATOM 114 N LEU A 10 -5.466 -9.633 -14.646 1.00 0.00 N ATOM 115 CA LEU A 10 -5.006 -8.533 -13.807 1.00 0.00 C ATOM 116 C LEU A 10 -5.461 -8.722 -12.361 1.00 0.00 C ATOM 117 O LEU A 10 -6.519 -8.233 -11.966 1.00 0.00 O ATOM 118 CB LEU A 10 -5.529 -7.201 -14.348 1.00 0.00 C ATOM 119 CG LEU A 10 -4.559 -6.024 -14.223 1.00 0.00 C ATOM 120 CD1 LEU A 10 -4.293 -5.705 -12.761 1.00 0.00 C ATOM 121 CD2 LEU A 10 -3.258 -6.328 -14.952 1.00 0.00 C ATOM 0 H LEU A 10 -6.475 -9.779 -14.633 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.916 -8.524 -13.827 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -5.786 -7.330 -15.399 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -6.450 -6.950 -13.823 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.016 -5.149 -14.686 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.601 -4.866 -12.692 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -5.230 -5.444 -12.269 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -3.857 -6.576 -12.272 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.579 -5.481 -14.853 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.797 -7.215 -14.518 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.465 -6.506 -16.007 1.00 0.00 H new ATOM 133 N PRO A 11 -4.663 -9.438 -11.551 1.00 0.00 N ATOM 134 CA PRO A 11 -4.988 -9.690 -10.143 1.00 0.00 C ATOM 135 C PRO A 11 -4.878 -8.433 -9.288 1.00 0.00 C ATOM 136 O PRO A 11 -3.962 -7.630 -9.462 1.00 0.00 O ATOM 137 CB PRO A 11 -3.942 -10.721 -9.715 1.00 0.00 C ATOM 138 CG PRO A 11 -2.789 -10.492 -10.630 1.00 0.00 C ATOM 139 CD PRO A 11 -3.382 -10.058 -11.942 1.00 0.00 C ATOM 0 HA PRO A 11 -6.016 -10.029 -10.018 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -3.654 -10.584 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.326 -11.737 -9.808 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -2.121 -9.728 -10.232 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -2.199 -11.401 -10.750 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -2.735 -9.350 -12.461 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.533 -10.903 -12.614 1.00 0.00 H new ATOM 147 N ARG A 12 -5.817 -8.270 -8.360 1.00 0.00 N ATOM 148 CA ARG A 12 -5.825 -7.111 -7.475 1.00 0.00 C ATOM 149 C ARG A 12 -5.652 -7.538 -6.021 1.00 0.00 C ATOM 150 O ARG A 12 -6.335 -8.444 -5.544 1.00 0.00 O ATOM 151 CB ARG A 12 -7.129 -6.326 -7.636 1.00 0.00 C ATOM 152 CG ARG A 12 -7.147 -5.016 -6.865 1.00 0.00 C ATOM 153 CD ARG A 12 -8.524 -4.374 -6.889 1.00 0.00 C ATOM 154 NE ARG A 12 -8.477 -2.966 -6.502 1.00 0.00 N ATOM 155 CZ ARG A 12 -8.036 -1.993 -7.295 1.00 0.00 C ATOM 156 NH1 ARG A 12 -7.606 -2.270 -8.519 1.00 0.00 N ATOM 157 NH2 ARG A 12 -8.027 -0.739 -6.863 1.00 0.00 N ATOM 0 H ARG A 12 -6.582 -8.926 -8.202 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.988 -6.469 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.291 -6.118 -8.694 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.961 -6.946 -7.302 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.846 -5.196 -5.833 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.417 -4.330 -7.295 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.948 -4.461 -7.890 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -9.188 -4.914 -6.214 1.00 0.00 H new ATOM 0 HE ARG A 12 -8.802 -2.714 -5.568 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -7.612 -3.233 -8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -7.269 -1.520 -9.123 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.358 -0.521 -5.923 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.689 0.007 -7.471 1.00 0.00 H new ATOM 171 N VAL A 13 -4.733 -6.878 -5.319 1.00 0.00 N ATOM 172 CA VAL A 13 -4.468 -7.185 -3.918 1.00 0.00 C ATOM 173 C VAL A 13 -4.327 -8.690 -3.699 1.00 0.00 C ATOM 174 O VAL A 13 -4.936 -9.259 -2.790 1.00 0.00 O ATOM 175 CB VAL A 13 -5.586 -6.638 -3.010 1.00 0.00 C ATOM 176 CG1 VAL A 13 -5.253 -6.869 -1.543 1.00 0.00 C ATOM 177 CG2 VAL A 13 -5.820 -5.160 -3.283 1.00 0.00 C ATOM 0 H VAL A 13 -4.159 -6.126 -5.700 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.528 -6.701 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.505 -7.178 -3.237 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -6.057 -6.475 -0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -5.143 -7.938 -1.359 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -4.321 -6.360 -1.297 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -6.613 -4.791 -2.633 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -4.903 -4.604 -3.088 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.112 -5.024 -4.324 1.00 0.00 H new ATOM 187 N THR A 14 -3.523 -9.331 -4.539 1.00 0.00 N ATOM 188 CA THR A 14 -3.305 -10.769 -4.440 1.00 0.00 C ATOM 189 C THR A 14 -1.971 -11.165 -5.064 1.00 0.00 C ATOM 190 O THR A 14 -1.193 -10.309 -5.489 1.00 0.00 O ATOM 191 CB THR A 14 -4.446 -11.526 -5.123 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.081 -10.709 -6.090 1.00 0.00 O ATOM 193 CG2 THR A 14 -5.509 -12.006 -4.160 1.00 0.00 C ATOM 0 H THR A 14 -3.011 -8.878 -5.296 1.00 0.00 H new ATOM 0 HA THR A 14 -3.282 -11.035 -3.383 1.00 0.00 H new ATOM 0 HB THR A 14 -3.978 -12.396 -5.585 1.00 0.00 H new ATOM 0 HG1 THR A 14 -5.683 -10.079 -5.642 1.00 0.00 H new ATOM 0 HG21 THR A 14 -6.287 -12.534 -4.711 1.00 0.00 H new ATOM 0 HG22 THR A 14 -5.061 -12.679 -3.429 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.946 -11.151 -3.645 1.00 0.00 H new ATOM 201 N CYS A 15 -1.713 -12.467 -5.116 1.00 0.00 N ATOM 202 CA CYS A 15 -0.475 -12.983 -5.688 1.00 0.00 C ATOM 203 C CYS A 15 -0.712 -13.508 -7.105 1.00 0.00 C ATOM 204 O CYS A 15 -1.705 -14.186 -7.364 1.00 0.00 O ATOM 205 CB CYS A 15 0.084 -14.098 -4.800 1.00 0.00 C ATOM 206 SG CYS A 15 1.594 -14.869 -5.429 1.00 0.00 S ATOM 0 H CYS A 15 -2.347 -13.186 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 15 0.249 -12.170 -5.740 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.284 -13.690 -3.809 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.679 -14.867 -4.680 1.00 0.00 H new ATOM 211 N PRO A 16 0.200 -13.197 -8.046 1.00 0.00 N ATOM 212 CA PRO A 16 0.076 -13.642 -9.439 1.00 0.00 C ATOM 213 C PRO A 16 0.144 -15.159 -9.575 1.00 0.00 C ATOM 214 O PRO A 16 -0.501 -15.745 -10.444 1.00 0.00 O ATOM 215 CB PRO A 16 1.273 -12.988 -10.138 1.00 0.00 C ATOM 216 CG PRO A 16 2.243 -12.695 -9.046 1.00 0.00 C ATOM 217 CD PRO A 16 1.415 -12.392 -7.832 1.00 0.00 C ATOM 0 HA PRO A 16 -0.887 -13.362 -9.866 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.707 -13.654 -10.884 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.977 -12.077 -10.658 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.900 -13.546 -8.868 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.880 -11.849 -9.306 1.00 0.00 H new ATOM 0 HD2 PRO A 16 1.929 -12.674 -6.913 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.186 -11.329 -7.755 1.00 0.00 H new ATOM 225 N ASN A 17 0.931 -15.789 -8.711 1.00 0.00 N ATOM 226 CA ASN A 17 1.086 -17.240 -8.733 1.00 0.00 C ATOM 227 C ASN A 17 0.283 -17.906 -7.616 1.00 0.00 C ATOM 228 O ASN A 17 0.218 -19.133 -7.535 1.00 0.00 O ATOM 229 CB ASN A 17 2.564 -17.616 -8.608 1.00 0.00 C ATOM 230 CG ASN A 17 2.970 -18.695 -9.593 1.00 0.00 C ATOM 231 OD1 ASN A 17 2.304 -19.723 -9.715 1.00 0.00 O ATOM 232 ND2 ASN A 17 4.070 -18.467 -10.302 1.00 0.00 N ATOM 0 H ASN A 17 1.472 -15.318 -7.986 1.00 0.00 H new ATOM 0 HA ASN A 17 0.701 -17.600 -9.687 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.177 -16.729 -8.771 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.764 -17.960 -7.593 1.00 0.00 H new ATOM 0 HD21 ASN A 17 4.393 -19.158 -10.979 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.592 -17.601 -10.169 1.00 0.00 H new ATOM 239 N HIS A 18 -0.332 -17.096 -6.756 1.00 0.00 N ATOM 240 CA HIS A 18 -1.129 -17.618 -5.651 1.00 0.00 C ATOM 241 C HIS A 18 -2.422 -16.821 -5.493 1.00 0.00 C ATOM 242 O HIS A 18 -2.567 -16.036 -4.556 1.00 0.00 O ATOM 243 CB HIS A 18 -0.330 -17.575 -4.345 1.00 0.00 C ATOM 244 CG HIS A 18 0.872 -18.467 -4.341 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.128 -17.973 -4.074 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.953 -19.802 -4.557 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.938 -19.019 -4.128 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.271 -20.145 -4.418 1.00 0.00 N ATOM 0 H HIS A 18 -0.293 -16.078 -6.804 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.381 -18.654 -5.878 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -0.010 -16.550 -4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.984 -17.859 -3.521 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.136 -20.467 -4.793 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.004 -18.971 -3.959 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.669 -21.079 -4.516 1.00 0.00 H new ATOM 256 N PRO A 19 -3.385 -17.012 -6.412 1.00 0.00 N ATOM 257 CA PRO A 19 -4.669 -16.304 -6.369 1.00 0.00 C ATOM 258 C PRO A 19 -5.522 -16.725 -5.176 1.00 0.00 C ATOM 259 O PRO A 19 -6.391 -15.976 -4.729 1.00 0.00 O ATOM 260 CB PRO A 19 -5.346 -16.706 -7.681 1.00 0.00 C ATOM 261 CG PRO A 19 -4.715 -18.001 -8.056 1.00 0.00 C ATOM 262 CD PRO A 19 -3.296 -17.929 -7.563 1.00 0.00 C ATOM 0 HA PRO A 19 -4.536 -15.228 -6.258 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.423 -16.814 -7.553 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.190 -15.952 -8.453 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.244 -18.839 -7.602 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.746 -18.152 -9.135 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.922 -18.910 -7.269 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.622 -17.548 -8.330 1.00 0.00 H new ATOM 270 N ASP A 20 -5.268 -17.925 -4.663 1.00 0.00 N ATOM 271 CA ASP A 20 -6.015 -18.440 -3.521 1.00 0.00 C ATOM 272 C ASP A 20 -5.584 -17.750 -2.231 1.00 0.00 C ATOM 273 O ASP A 20 -6.411 -17.447 -1.372 1.00 0.00 O ATOM 274 CB ASP A 20 -5.816 -19.951 -3.395 1.00 0.00 C ATOM 275 CG ASP A 20 -6.818 -20.737 -4.219 1.00 0.00 C ATOM 276 OD1 ASP A 20 -7.123 -20.306 -5.350 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.298 -21.783 -3.733 1.00 0.00 O ATOM 0 H ASP A 20 -4.552 -18.558 -5.019 1.00 0.00 H new ATOM 0 HA ASP A 20 -7.072 -18.231 -3.687 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.806 -20.209 -3.713 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.904 -20.240 -2.348 1.00 0.00 H new ATOM 282 N ALA A 21 -4.284 -17.502 -2.104 1.00 0.00 N ATOM 283 CA ALA A 21 -3.743 -16.846 -0.919 1.00 0.00 C ATOM 284 C ALA A 21 -3.570 -15.350 -1.151 1.00 0.00 C ATOM 285 O ALA A 21 -3.328 -14.910 -2.276 1.00 0.00 O ATOM 286 CB ALA A 21 -2.417 -17.479 -0.525 1.00 0.00 C ATOM 0 H ALA A 21 -3.586 -17.745 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.453 -16.980 -0.103 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.024 -16.980 0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.569 -18.536 -0.308 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.706 -17.375 -1.345 1.00 0.00 H new ATOM 292 N ILE A 22 -3.698 -14.571 -0.083 1.00 0.00 N ATOM 293 CA ILE A 22 -3.558 -13.124 -0.169 1.00 0.00 C ATOM 294 C ILE A 22 -2.326 -12.646 0.593 1.00 0.00 C ATOM 295 O ILE A 22 -2.064 -13.089 1.712 1.00 0.00 O ATOM 296 CB ILE A 22 -4.804 -12.399 0.383 1.00 0.00 C ATOM 297 CG1 ILE A 22 -5.509 -13.251 1.443 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.761 -12.057 -0.749 1.00 0.00 C ATOM 299 CD1 ILE A 22 -6.430 -12.456 2.343 1.00 0.00 C ATOM 0 H ILE A 22 -3.899 -14.919 0.854 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.448 -12.881 -1.226 1.00 0.00 H new ATOM 0 HB ILE A 22 -4.478 -11.473 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -6.085 -14.032 0.946 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.758 -13.750 2.055 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.635 -11.546 -0.345 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.259 -11.406 -1.465 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -6.075 -12.973 -1.249 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.895 -13.123 3.069 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -5.856 -11.692 2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -7.204 -11.979 1.742 1.00 0.00 H new ATOM 311 N LEU A 23 -1.575 -11.735 -0.019 1.00 0.00 N ATOM 312 CA LEU A 23 -0.372 -11.192 0.601 1.00 0.00 C ATOM 313 C LEU A 23 -0.703 -10.524 1.934 1.00 0.00 C ATOM 314 O LEU A 23 -1.178 -9.389 1.970 1.00 0.00 O ATOM 315 CB LEU A 23 0.298 -10.188 -0.339 1.00 0.00 C ATOM 316 CG LEU A 23 1.565 -10.702 -1.026 1.00 0.00 C ATOM 317 CD1 LEU A 23 1.274 -11.088 -2.467 1.00 0.00 C ATOM 318 CD2 LEU A 23 2.669 -9.657 -0.964 1.00 0.00 C ATOM 0 H LEU A 23 -1.779 -11.357 -0.944 1.00 0.00 H new ATOM 0 HA LEU A 23 0.317 -12.015 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.420 -9.893 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.547 -9.291 0.228 1.00 0.00 H new ATOM 0 HG LEU A 23 1.905 -11.592 -0.496 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.188 -11.451 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.518 -11.873 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.907 -10.217 -3.010 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.562 -10.041 -1.458 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.339 -8.748 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.899 -9.432 0.077 1.00 0.00 H new ATOM 330 N VAL A 24 -0.449 -11.238 3.026 1.00 0.00 N ATOM 331 CA VAL A 24 -0.721 -10.718 4.363 1.00 0.00 C ATOM 332 C VAL A 24 0.115 -9.476 4.653 1.00 0.00 C ATOM 333 O VAL A 24 1.128 -9.230 3.999 1.00 0.00 O ATOM 334 CB VAL A 24 -0.435 -11.778 5.444 1.00 0.00 C ATOM 335 CG1 VAL A 24 -0.962 -11.320 6.795 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.043 -13.117 5.054 1.00 0.00 C ATOM 0 H VAL A 24 -0.055 -12.179 3.012 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.778 -10.454 4.390 1.00 0.00 H new ATOM 0 HB VAL A 24 0.645 -11.904 5.525 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.751 -12.082 7.545 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.475 -10.387 7.078 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.039 -11.163 6.731 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -0.831 -13.853 5.830 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.122 -13.008 4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -0.613 -13.451 4.110 1.00 0.00 H new ATOM 346 N GLU A 25 -0.315 -8.692 5.638 1.00 0.00 N ATOM 347 CA GLU A 25 0.396 -7.476 6.013 1.00 0.00 C ATOM 348 C GLU A 25 1.205 -7.688 7.289 1.00 0.00 C ATOM 349 O GLU A 25 0.995 -8.660 8.014 1.00 0.00 O ATOM 350 CB GLU A 25 -0.589 -6.322 6.207 1.00 0.00 C ATOM 351 CG GLU A 25 -1.413 -6.009 4.969 1.00 0.00 C ATOM 352 CD GLU A 25 -1.851 -4.560 4.910 1.00 0.00 C ATOM 353 OE1 GLU A 25 -2.417 -4.069 5.910 1.00 0.00 O ATOM 354 OE2 GLU A 25 -1.628 -3.913 3.865 1.00 0.00 O ATOM 0 H GLU A 25 -1.152 -8.878 6.190 1.00 0.00 H new ATOM 0 HA GLU A 25 1.084 -7.226 5.205 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -1.262 -6.565 7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.036 -5.429 6.500 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -0.829 -6.244 4.079 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -2.293 -6.652 4.951 1.00 0.00 H new ATOM 361 N ASP A 26 2.130 -6.771 7.556 1.00 0.00 N ATOM 362 CA ASP A 26 2.970 -6.857 8.746 1.00 0.00 C ATOM 363 C ASP A 26 2.628 -5.747 9.734 1.00 0.00 C ATOM 364 O ASP A 26 1.645 -5.027 9.558 1.00 0.00 O ATOM 365 CB ASP A 26 4.449 -6.776 8.355 1.00 0.00 C ATOM 366 CG ASP A 26 5.268 -7.899 8.960 1.00 0.00 C ATOM 367 OD1 ASP A 26 5.565 -7.831 10.172 1.00 0.00 O ATOM 368 OD2 ASP A 26 5.612 -8.847 8.223 1.00 0.00 O ATOM 0 H ASP A 26 2.317 -5.961 6.965 1.00 0.00 H new ATOM 0 HA ASP A 26 2.781 -7.816 9.229 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.537 -6.809 7.269 1.00 0.00 H new ATOM 0 HB3 ASP A 26 4.856 -5.818 8.679 1.00 0.00 H new ATOM 373 N TYR A 27 3.446 -5.614 10.773 1.00 0.00 N ATOM 374 CA TYR A 27 3.229 -4.590 11.790 1.00 0.00 C ATOM 375 C TYR A 27 4.558 -4.060 12.322 1.00 0.00 C ATOM 376 O TYR A 27 4.674 -3.719 13.499 1.00 0.00 O ATOM 377 CB TYR A 27 2.390 -5.153 12.939 1.00 0.00 C ATOM 378 CG TYR A 27 1.286 -4.226 13.393 1.00 0.00 C ATOM 379 CD1 TYR A 27 1.509 -2.863 13.529 1.00 0.00 C ATOM 380 CD2 TYR A 27 0.019 -4.716 13.686 1.00 0.00 C ATOM 381 CE1 TYR A 27 0.501 -2.013 13.945 1.00 0.00 C ATOM 382 CE2 TYR A 27 -0.994 -3.873 14.102 1.00 0.00 C ATOM 383 CZ TYR A 27 -0.748 -2.522 14.229 1.00 0.00 C ATOM 384 OH TYR A 27 -1.753 -1.679 14.643 1.00 0.00 O ATOM 0 H TYR A 27 4.264 -6.201 10.933 1.00 0.00 H new ATOM 0 HA TYR A 27 2.690 -3.763 11.329 1.00 0.00 H new ATOM 0 HB2 TYR A 27 1.952 -6.101 12.627 1.00 0.00 H new ATOM 0 HB3 TYR A 27 3.044 -5.367 13.784 1.00 0.00 H new ATOM 0 HD1 TYR A 27 2.486 -2.460 13.306 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.177 -5.773 13.587 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.691 -0.955 14.047 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.973 -4.270 14.326 1.00 0.00 H new ATOM 0 HH TYR A 27 -2.570 -2.197 14.800 1.00 0.00 H new ATOM 394 N ARG A 28 5.555 -3.996 11.447 1.00 0.00 N ATOM 395 CA ARG A 28 6.876 -3.506 11.828 1.00 0.00 C ATOM 396 C ARG A 28 7.445 -2.576 10.768 1.00 0.00 C ATOM 397 O ARG A 28 8.650 -2.330 10.714 1.00 0.00 O ATOM 398 CB ARG A 28 7.826 -4.676 12.044 1.00 0.00 C ATOM 399 CG ARG A 28 9.059 -4.323 12.860 1.00 0.00 C ATOM 400 CD ARG A 28 10.332 -4.458 12.039 1.00 0.00 C ATOM 401 NE ARG A 28 10.531 -5.824 11.559 1.00 0.00 N ATOM 402 CZ ARG A 28 11.344 -6.146 10.555 1.00 0.00 C ATOM 403 NH1 ARG A 28 12.032 -5.204 9.921 1.00 0.00 N ATOM 404 NH2 ARG A 28 11.467 -7.413 10.183 1.00 0.00 N ATOM 0 H ARG A 28 5.475 -4.277 10.470 1.00 0.00 H new ATOM 0 HA ARG A 28 6.770 -2.945 12.757 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.288 -5.481 12.545 1.00 0.00 H new ATOM 0 HB3 ARG A 28 8.142 -5.060 11.074 1.00 0.00 H new ATOM 0 HG2 ARG A 28 8.971 -3.302 13.230 1.00 0.00 H new ATOM 0 HG3 ARG A 28 9.117 -4.974 13.732 1.00 0.00 H new ATOM 0 HD2 ARG A 28 10.289 -3.777 11.189 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.187 -4.158 12.644 1.00 0.00 H new ATOM 0 HE ARG A 28 10.017 -6.575 12.020 1.00 0.00 H new ATOM 0 HH11 ARG A 28 11.939 -4.228 10.202 1.00 0.00 H new ATOM 0 HH12 ARG A 28 12.653 -5.456 9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 28 10.939 -8.140 10.666 1.00 0.00 H new ATOM 0 HH22 ARG A 28 12.090 -7.661 9.414 1.00 0.00 H new ATOM 418 N ALA A 29 6.564 -2.066 9.931 1.00 0.00 N ATOM 419 CA ALA A 29 6.951 -1.157 8.858 1.00 0.00 C ATOM 420 C ALA A 29 5.740 -0.730 8.040 1.00 0.00 C ATOM 421 O ALA A 29 5.321 0.427 8.084 1.00 0.00 O ATOM 422 CB ALA A 29 7.992 -1.811 7.960 1.00 0.00 C ATOM 0 H ALA A 29 5.564 -2.265 9.970 1.00 0.00 H new ATOM 0 HA ALA A 29 7.386 -0.266 9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 29 8.271 -1.121 7.164 1.00 0.00 H new ATOM 0 HB2 ALA A 29 8.874 -2.062 8.549 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.577 -2.719 7.524 1.00 0.00 H new ATOM 428 N GLY A 30 5.182 -1.675 7.296 1.00 0.00 N ATOM 429 CA GLY A 30 4.022 -1.387 6.474 1.00 0.00 C ATOM 430 C GLY A 30 4.112 -2.029 5.103 1.00 0.00 C ATOM 431 O GLY A 30 3.816 -1.392 4.092 1.00 0.00 O ATOM 0 H GLY A 30 5.512 -2.639 7.247 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.124 -1.742 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.919 -0.308 6.361 1.00 0.00 H new ATOM 435 N ASP A 31 4.523 -3.291 5.070 1.00 0.00 N ATOM 436 CA ASP A 31 4.654 -4.022 3.814 1.00 0.00 C ATOM 437 C ASP A 31 3.807 -5.289 3.830 1.00 0.00 C ATOM 438 O ASP A 31 3.295 -5.693 4.875 1.00 0.00 O ATOM 439 CB ASP A 31 6.119 -4.379 3.560 1.00 0.00 C ATOM 440 CG ASP A 31 6.734 -5.146 4.714 1.00 0.00 C ATOM 441 OD1 ASP A 31 6.407 -6.340 4.876 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.544 -4.552 5.456 1.00 0.00 O ATOM 0 H ASP A 31 4.772 -3.831 5.899 1.00 0.00 H new ATOM 0 HA ASP A 31 4.297 -3.379 3.009 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.193 -4.975 2.650 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.689 -3.466 3.389 1.00 0.00 H new ATOM 447 N MET A 32 3.665 -5.913 2.665 1.00 0.00 N ATOM 448 CA MET A 32 2.881 -7.137 2.545 1.00 0.00 C ATOM 449 C MET A 32 3.767 -8.311 2.144 1.00 0.00 C ATOM 450 O MET A 32 4.868 -8.123 1.627 1.00 0.00 O ATOM 451 CB MET A 32 1.764 -6.952 1.517 1.00 0.00 C ATOM 452 CG MET A 32 0.757 -5.880 1.900 1.00 0.00 C ATOM 453 SD MET A 32 -0.927 -6.303 1.415 1.00 0.00 S ATOM 454 CE MET A 32 -1.485 -4.743 0.735 1.00 0.00 C ATOM 0 H MET A 32 4.082 -5.592 1.791 1.00 0.00 H new ATOM 0 HA MET A 32 2.438 -7.354 3.517 1.00 0.00 H new ATOM 0 HB2 MET A 32 2.206 -6.696 0.554 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.241 -7.900 1.386 1.00 0.00 H new ATOM 0 HG2 MET A 32 0.792 -5.723 2.978 1.00 0.00 H new ATOM 0 HG3 MET A 32 1.040 -4.937 1.431 1.00 0.00 H new ATOM 0 HE1 MET A 32 -2.575 -4.714 0.737 1.00 0.00 H new ATOM 0 HE2 MET A 32 -1.099 -3.923 1.341 1.00 0.00 H new ATOM 0 HE3 MET A 32 -1.121 -4.641 -0.287 1.00 0.00 H new ATOM 464 N ILE A 33 3.282 -9.524 2.389 1.00 0.00 N ATOM 465 CA ILE A 33 4.030 -10.728 2.055 1.00 0.00 C ATOM 466 C ILE A 33 3.090 -11.899 1.775 1.00 0.00 C ATOM 467 O ILE A 33 2.054 -12.039 2.423 1.00 0.00 O ATOM 468 CB ILE A 33 5.004 -11.114 3.189 1.00 0.00 C ATOM 469 CG1 ILE A 33 5.869 -12.308 2.778 1.00 0.00 C ATOM 470 CG2 ILE A 33 4.236 -11.419 4.468 1.00 0.00 C ATOM 471 CD1 ILE A 33 7.342 -11.980 2.673 1.00 0.00 C ATOM 0 H ILE A 33 2.373 -9.698 2.818 1.00 0.00 H new ATOM 0 HA ILE A 33 4.604 -10.509 1.155 1.00 0.00 H new ATOM 0 HB ILE A 33 5.665 -10.268 3.378 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.735 -13.110 3.503 1.00 0.00 H new ATOM 0 HG13 ILE A 33 5.520 -12.685 1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.937 -11.689 5.258 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.670 -10.538 4.771 1.00 0.00 H new ATOM 0 HG23 ILE A 33 3.551 -12.248 4.292 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.893 -12.873 2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 33 7.489 -11.200 1.926 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.707 -11.631 3.639 1.00 0.00 H new ATOM 483 N CYS A 34 3.453 -12.737 0.805 1.00 0.00 N ATOM 484 CA CYS A 34 2.631 -13.888 0.449 1.00 0.00 C ATOM 485 C CYS A 34 3.140 -15.153 1.143 1.00 0.00 C ATOM 486 O CYS A 34 4.203 -15.671 0.801 1.00 0.00 O ATOM 487 CB CYS A 34 2.638 -14.077 -1.067 1.00 0.00 C ATOM 488 SG CYS A 34 1.686 -15.493 -1.661 1.00 0.00 S ATOM 0 H CYS A 34 4.307 -12.640 0.255 1.00 0.00 H new ATOM 0 HA CYS A 34 1.610 -13.705 0.783 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.246 -13.173 -1.533 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.670 -14.186 -1.400 1.00 0.00 H new ATOM 493 N PRO A 35 2.391 -15.663 2.138 1.00 0.00 N ATOM 494 CA PRO A 35 2.780 -16.865 2.883 1.00 0.00 C ATOM 495 C PRO A 35 3.132 -18.040 1.975 1.00 0.00 C ATOM 496 O PRO A 35 3.867 -18.943 2.373 1.00 0.00 O ATOM 497 CB PRO A 35 1.537 -17.188 3.714 1.00 0.00 C ATOM 498 CG PRO A 35 0.848 -15.878 3.884 1.00 0.00 C ATOM 499 CD PRO A 35 1.111 -15.107 2.621 1.00 0.00 C ATOM 0 HA PRO A 35 3.678 -16.694 3.476 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.897 -17.910 3.206 1.00 0.00 H new ATOM 0 HB3 PRO A 35 1.806 -17.623 4.677 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.222 -16.017 4.041 1.00 0.00 H new ATOM 0 HG3 PRO A 35 1.232 -15.345 4.754 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.313 -15.246 1.892 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.185 -14.036 2.812 1.00 0.00 H new ATOM 507 N GLU A 36 2.601 -18.029 0.756 1.00 0.00 N ATOM 508 CA GLU A 36 2.865 -19.103 -0.195 1.00 0.00 C ATOM 509 C GLU A 36 4.282 -19.002 -0.758 1.00 0.00 C ATOM 510 O GLU A 36 5.186 -19.700 -0.299 1.00 0.00 O ATOM 511 CB GLU A 36 1.834 -19.078 -1.325 1.00 0.00 C ATOM 512 CG GLU A 36 0.406 -19.280 -0.848 1.00 0.00 C ATOM 513 CD GLU A 36 0.089 -20.733 -0.552 1.00 0.00 C ATOM 514 OE1 GLU A 36 -0.049 -21.517 -1.514 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.020 -21.086 0.640 1.00 0.00 O ATOM 0 H GLU A 36 1.989 -17.293 0.405 1.00 0.00 H new ATOM 0 HA GLU A 36 2.781 -20.053 0.333 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.902 -18.124 -1.847 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.080 -19.856 -2.048 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.240 -18.686 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.282 -18.909 -1.607 1.00 0.00 H new ATOM 522 N CYS A 37 4.479 -18.132 -1.748 1.00 0.00 N ATOM 523 CA CYS A 37 5.801 -17.960 -2.347 1.00 0.00 C ATOM 524 C CYS A 37 6.729 -17.220 -1.393 1.00 0.00 C ATOM 525 O CYS A 37 7.901 -17.570 -1.252 1.00 0.00 O ATOM 526 CB CYS A 37 5.720 -17.194 -3.673 1.00 0.00 C ATOM 527 SG CYS A 37 4.825 -15.631 -3.586 1.00 0.00 S ATOM 0 H CYS A 37 3.749 -17.542 -2.148 1.00 0.00 H new ATOM 0 HA CYS A 37 6.200 -18.955 -2.544 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.732 -16.998 -4.026 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.240 -17.831 -4.416 1.00 0.00 H new ATOM 532 N GLY A 38 6.197 -16.192 -0.744 1.00 0.00 N ATOM 533 CA GLY A 38 6.988 -15.412 0.185 1.00 0.00 C ATOM 534 C GLY A 38 7.586 -14.183 -0.466 1.00 0.00 C ATOM 535 O GLY A 38 8.790 -13.947 -0.375 1.00 0.00 O ATOM 0 H GLY A 38 5.230 -15.885 -0.846 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.364 -15.109 1.026 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.788 -16.033 0.589 1.00 0.00 H new ATOM 539 N LEU A 39 6.742 -13.397 -1.128 1.00 0.00 N ATOM 540 CA LEU A 39 7.200 -12.185 -1.796 1.00 0.00 C ATOM 541 C LEU A 39 6.865 -10.956 -0.959 1.00 0.00 C ATOM 542 O LEU A 39 6.173 -11.060 0.049 1.00 0.00 O ATOM 543 CB LEU A 39 6.579 -12.074 -3.194 1.00 0.00 C ATOM 544 CG LEU A 39 5.146 -11.529 -3.243 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.100 -10.217 -4.011 1.00 0.00 C ATOM 546 CD2 LEU A 39 4.206 -12.545 -3.874 1.00 0.00 C ATOM 0 H LEU A 39 5.742 -13.577 -1.216 1.00 0.00 H new ATOM 0 HA LEU A 39 8.283 -12.240 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.214 -11.431 -3.804 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.589 -13.061 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 39 4.817 -11.344 -2.221 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.076 -9.845 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.740 -9.485 -3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.451 -10.379 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.195 -12.139 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.535 -12.763 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.214 -13.462 -3.286 1.00 0.00 H new ATOM 558 N VAL A 40 7.366 -9.799 -1.380 1.00 0.00 N ATOM 559 CA VAL A 40 7.118 -8.557 -0.657 1.00 0.00 C ATOM 560 C VAL A 40 6.623 -7.461 -1.593 1.00 0.00 C ATOM 561 O VAL A 40 7.355 -6.998 -2.468 1.00 0.00 O ATOM 562 CB VAL A 40 8.387 -8.063 0.062 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.063 -6.888 0.972 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.031 -9.196 0.848 1.00 0.00 C ATOM 0 H VAL A 40 7.944 -9.696 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 40 6.348 -8.774 0.083 1.00 0.00 H new ATOM 0 HB VAL A 40 9.099 -7.723 -0.690 1.00 0.00 H new ATOM 0 HG11 VAL A 40 8.972 -6.553 1.471 1.00 0.00 H new ATOM 0 HG12 VAL A 40 7.653 -6.071 0.379 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.332 -7.197 1.719 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.926 -8.828 1.349 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.327 -9.570 1.591 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.302 -10.003 0.167 1.00 0.00 H new ATOM 574 N VAL A 41 5.377 -7.046 -1.400 1.00 0.00 N ATOM 575 CA VAL A 41 4.783 -5.998 -2.223 1.00 0.00 C ATOM 576 C VAL A 41 4.717 -4.677 -1.466 1.00 0.00 C ATOM 577 O VAL A 41 4.284 -4.630 -0.314 1.00 0.00 O ATOM 578 CB VAL A 41 3.365 -6.379 -2.690 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.831 -5.352 -3.677 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.363 -7.768 -3.306 1.00 0.00 C ATOM 0 H VAL A 41 4.757 -7.419 -0.681 1.00 0.00 H new ATOM 0 HA VAL A 41 5.425 -5.884 -3.097 1.00 0.00 H new ATOM 0 HB VAL A 41 2.708 -6.389 -1.821 1.00 0.00 H new ATOM 0 HG11 VAL A 41 1.829 -5.639 -3.995 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.793 -4.373 -3.199 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.488 -5.307 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.354 -8.021 -3.630 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.035 -7.786 -4.164 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.699 -8.495 -2.566 1.00 0.00 H new ATOM 590 N GLY A 42 5.150 -3.603 -2.121 1.00 0.00 N ATOM 591 CA GLY A 42 5.132 -2.294 -1.495 1.00 0.00 C ATOM 592 C GLY A 42 5.913 -2.258 -0.198 1.00 0.00 C ATOM 593 O GLY A 42 5.350 -2.444 0.881 1.00 0.00 O ATOM 0 H GLY A 42 5.513 -3.617 -3.074 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.547 -1.560 -2.185 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.100 -2.002 -1.302 1.00 0.00 H new ATOM 597 N ASP A 43 7.216 -2.015 -0.301 1.00 0.00 N ATOM 598 CA ASP A 43 8.077 -1.954 0.874 1.00 0.00 C ATOM 599 C ASP A 43 8.017 -0.574 1.522 1.00 0.00 C ATOM 600 O ASP A 43 8.170 -0.441 2.737 1.00 0.00 O ATOM 601 CB ASP A 43 9.519 -2.291 0.492 1.00 0.00 C ATOM 602 CG ASP A 43 9.801 -3.779 0.554 1.00 0.00 C ATOM 603 OD1 ASP A 43 10.031 -4.295 1.668 1.00 0.00 O ATOM 604 OD2 ASP A 43 9.790 -4.429 -0.513 1.00 0.00 O ATOM 0 H ASP A 43 7.698 -1.857 -1.186 1.00 0.00 H new ATOM 0 HA ASP A 43 7.719 -2.688 1.596 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.719 -1.928 -0.516 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.201 -1.767 1.161 1.00 0.00 H new ATOM 609 N ARG A 44 7.791 0.450 0.705 1.00 0.00 N ATOM 610 CA ARG A 44 7.708 1.820 1.199 1.00 0.00 C ATOM 611 C ARG A 44 6.315 2.397 0.972 1.00 0.00 C ATOM 612 O ARG A 44 5.743 2.255 -0.108 1.00 0.00 O ATOM 613 CB ARG A 44 8.756 2.696 0.510 1.00 0.00 C ATOM 614 CG ARG A 44 10.171 2.147 0.614 1.00 0.00 C ATOM 615 CD ARG A 44 11.096 3.112 1.338 1.00 0.00 C ATOM 616 NE ARG A 44 10.641 3.391 2.698 1.00 0.00 N ATOM 617 CZ ARG A 44 10.812 2.559 3.723 1.00 0.00 C ATOM 618 NH1 ARG A 44 11.429 1.397 3.547 1.00 0.00 N ATOM 619 NH2 ARG A 44 10.367 2.889 4.927 1.00 0.00 N ATOM 0 H ARG A 44 7.662 0.357 -0.303 1.00 0.00 H new ATOM 0 HA ARG A 44 7.904 1.806 2.271 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.493 2.803 -0.542 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.729 3.694 0.948 1.00 0.00 H new ATOM 0 HG2 ARG A 44 10.154 1.194 1.142 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.560 1.951 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 44 12.102 2.694 1.371 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.157 4.045 0.778 1.00 0.00 H new ATOM 0 HE ARG A 44 10.164 4.276 2.872 1.00 0.00 H new ATOM 0 HH11 ARG A 44 11.775 1.138 2.623 1.00 0.00 H new ATOM 0 HH12 ARG A 44 11.557 0.763 4.336 1.00 0.00 H new ATOM 0 HH21 ARG A 44 9.893 3.781 5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 44 10.498 2.251 5.712 1.00 0.00 H new ATOM 633 N VAL A 45 5.774 3.048 1.997 1.00 0.00 N ATOM 634 CA VAL A 45 4.447 3.646 1.908 1.00 0.00 C ATOM 635 C VAL A 45 4.354 4.908 2.759 1.00 0.00 C ATOM 636 O VAL A 45 4.228 4.836 3.982 1.00 0.00 O ATOM 637 CB VAL A 45 3.354 2.658 2.357 1.00 0.00 C ATOM 638 CG1 VAL A 45 1.972 3.224 2.071 1.00 0.00 C ATOM 639 CG2 VAL A 45 3.539 1.312 1.674 1.00 0.00 C ATOM 0 H VAL A 45 6.234 3.175 2.898 1.00 0.00 H new ATOM 0 HA VAL A 45 4.287 3.904 0.861 1.00 0.00 H new ATOM 0 HB VAL A 45 3.444 2.509 3.433 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.213 2.512 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.844 4.162 2.611 1.00 0.00 H new ATOM 0 HG13 VAL A 45 1.867 3.405 1.001 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.758 0.627 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.477 1.441 0.593 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.515 0.902 1.935 1.00 0.00 H new ATOM 649 N ILE A 46 4.417 6.063 2.105 1.00 0.00 N ATOM 650 CA ILE A 46 4.338 7.341 2.803 1.00 0.00 C ATOM 651 C ILE A 46 2.898 7.830 2.890 1.00 0.00 C ATOM 652 O ILE A 46 2.286 8.175 1.879 1.00 0.00 O ATOM 653 CB ILE A 46 5.191 8.418 2.104 1.00 0.00 C ATOM 654 CG1 ILE A 46 6.592 7.878 1.805 1.00 0.00 C ATOM 655 CG2 ILE A 46 5.270 9.670 2.966 1.00 0.00 C ATOM 656 CD1 ILE A 46 6.824 7.589 0.337 1.00 0.00 C ATOM 0 H ILE A 46 4.522 6.140 1.093 1.00 0.00 H new ATOM 0 HA ILE A 46 4.726 7.176 3.808 1.00 0.00 H new ATOM 0 HB ILE A 46 4.717 8.680 1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 46 7.333 8.601 2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.751 6.964 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.875 10.422 2.460 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.266 10.062 3.131 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.725 9.423 3.925 1.00 0.00 H new ATOM 0 HD11 ILE A 46 7.836 7.210 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.106 6.843 -0.005 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.697 8.506 -0.239 1.00 0.00 H new ATOM 668 N ASP A 47 2.361 7.860 4.105 1.00 0.00 N ATOM 669 CA ASP A 47 0.992 8.308 4.324 1.00 0.00 C ATOM 670 C ASP A 47 0.886 9.130 5.605 1.00 0.00 C ATOM 671 O ASP A 47 1.453 8.766 6.635 1.00 0.00 O ATOM 672 CB ASP A 47 0.044 7.109 4.393 1.00 0.00 C ATOM 673 CG ASP A 47 -0.452 6.685 3.026 1.00 0.00 C ATOM 674 OD1 ASP A 47 0.351 6.127 2.248 1.00 0.00 O ATOM 675 OD2 ASP A 47 -1.645 6.912 2.730 1.00 0.00 O ATOM 0 H ASP A 47 2.854 7.579 4.953 1.00 0.00 H new ATOM 0 HA ASP A 47 0.705 8.940 3.484 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.556 6.271 4.867 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -0.809 7.359 5.024 1.00 0.00 H new ATOM 680 N VAL A 48 0.156 10.237 5.531 1.00 0.00 N ATOM 681 CA VAL A 48 -0.025 11.111 6.684 1.00 0.00 C ATOM 682 C VAL A 48 -0.674 10.361 7.844 1.00 0.00 C ATOM 683 O VAL A 48 -1.851 10.006 7.787 1.00 0.00 O ATOM 684 CB VAL A 48 -0.884 12.340 6.327 1.00 0.00 C ATOM 685 CG1 VAL A 48 -2.273 11.912 5.876 1.00 0.00 C ATOM 686 CG2 VAL A 48 -0.970 13.297 7.506 1.00 0.00 C ATOM 0 H VAL A 48 -0.320 10.550 4.685 1.00 0.00 H new ATOM 0 HA VAL A 48 0.966 11.450 6.987 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.404 12.863 5.500 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.863 12.794 5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.189 11.273 4.997 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.763 11.361 6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -1.581 14.157 7.232 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -1.422 12.787 8.357 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.031 13.634 7.775 1.00 0.00 H new ATOM 696 N GLY A 49 0.103 10.125 8.896 1.00 0.00 N ATOM 697 CA GLY A 49 -0.415 9.420 10.054 1.00 0.00 C ATOM 698 C GLY A 49 -1.088 10.349 11.043 1.00 0.00 C ATOM 699 O GLY A 49 -1.089 11.566 10.860 1.00 0.00 O ATOM 0 H GLY A 49 1.080 10.409 8.967 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.129 8.664 9.726 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.401 8.894 10.551 1.00 0.00 H new ATOM 703 N SER A 50 -1.664 9.775 12.095 1.00 0.00 N ATOM 704 CA SER A 50 -2.345 10.562 13.117 1.00 0.00 C ATOM 705 C SER A 50 -1.615 10.465 14.453 1.00 0.00 C ATOM 706 O SER A 50 -0.848 9.532 14.686 1.00 0.00 O ATOM 707 CB SER A 50 -3.790 10.087 13.275 1.00 0.00 C ATOM 708 OG SER A 50 -4.570 10.440 12.145 1.00 0.00 O ATOM 0 H SER A 50 -1.673 8.769 12.262 1.00 0.00 H new ATOM 0 HA SER A 50 -2.346 11.605 12.799 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.808 9.005 13.410 1.00 0.00 H new ATOM 0 HB3 SER A 50 -4.225 10.527 14.173 1.00 0.00 H new ATOM 0 HG SER A 50 -5.489 10.124 12.270 1.00 0.00 H new ATOM 714 N GLU A 51 -1.862 11.435 15.327 1.00 0.00 N ATOM 715 CA GLU A 51 -1.230 11.460 16.641 1.00 0.00 C ATOM 716 C GLU A 51 -2.253 11.765 17.731 1.00 0.00 C ATOM 717 O GLU A 51 -2.760 10.859 18.390 1.00 0.00 O ATOM 718 CB GLU A 51 -0.092 12.489 16.676 1.00 0.00 C ATOM 719 CG GLU A 51 -0.281 13.654 15.717 1.00 0.00 C ATOM 720 CD GLU A 51 0.182 14.974 16.304 1.00 0.00 C ATOM 721 OE1 GLU A 51 1.409 15.190 16.383 1.00 0.00 O ATOM 722 OE2 GLU A 51 -0.684 15.790 16.683 1.00 0.00 O ATOM 0 H GLU A 51 -2.496 12.214 15.149 1.00 0.00 H new ATOM 0 HA GLU A 51 -0.810 10.472 16.831 1.00 0.00 H new ATOM 0 HB2 GLU A 51 0.001 12.878 17.690 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.846 11.986 16.440 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.270 13.456 14.798 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -1.334 13.730 15.447 1.00 0.00 H new ATOM 729 N TRP A 52 -2.552 13.047 17.916 1.00 0.00 N ATOM 730 CA TRP A 52 -3.516 13.471 18.927 1.00 0.00 C ATOM 731 C TRP A 52 -3.144 12.928 20.303 1.00 0.00 C ATOM 732 O TRP A 52 -4.013 12.666 21.134 1.00 0.00 O ATOM 733 CB TRP A 52 -4.923 13.004 18.547 1.00 0.00 C ATOM 734 CG TRP A 52 -5.359 13.466 17.190 1.00 0.00 C ATOM 735 CD1 TRP A 52 -5.406 12.721 16.047 1.00 0.00 C ATOM 736 CD2 TRP A 52 -5.810 14.777 16.833 1.00 0.00 C ATOM 737 NE1 TRP A 52 -5.859 13.488 15.002 1.00 0.00 N ATOM 738 CE2 TRP A 52 -6.113 14.754 15.458 1.00 0.00 C ATOM 739 CE3 TRP A 52 -5.987 15.969 17.542 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -6.584 15.877 14.781 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -6.453 17.082 16.868 1.00 0.00 C ATOM 742 CH2 TRP A 52 -6.748 17.029 15.500 1.00 0.00 C ATOM 0 H TRP A 52 -2.141 13.811 17.379 1.00 0.00 H new ATOM 0 HA TRP A 52 -3.499 14.560 18.971 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -4.957 11.915 18.580 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -5.632 13.368 19.291 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -5.127 11.680 15.975 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -5.986 13.167 14.042 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -5.764 16.019 18.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -6.812 15.839 13.726 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -6.592 18.008 17.405 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -7.112 17.916 15.003 1.00 0.00 H new ATOM 753 N ARG A 53 -1.847 12.759 20.536 1.00 0.00 N ATOM 754 CA ARG A 53 -1.360 12.244 21.811 1.00 0.00 C ATOM 755 C ARG A 53 -1.918 10.850 22.085 1.00 0.00 C ATOM 756 O ARG A 53 -2.007 10.421 23.234 1.00 0.00 O ATOM 757 CB ARG A 53 -1.745 13.192 22.949 1.00 0.00 C ATOM 758 CG ARG A 53 -0.834 14.406 23.063 1.00 0.00 C ATOM 759 CD ARG A 53 -0.241 14.536 24.458 1.00 0.00 C ATOM 760 NE ARG A 53 1.176 14.889 24.419 1.00 0.00 N ATOM 761 CZ ARG A 53 2.128 14.083 23.954 1.00 0.00 C ATOM 762 NH1 ARG A 53 1.818 12.879 23.488 1.00 0.00 N ATOM 763 NH2 ARG A 53 3.392 14.482 23.955 1.00 0.00 N ATOM 0 H ARG A 53 -1.114 12.971 19.859 1.00 0.00 H new ATOM 0 HA ARG A 53 -0.274 12.176 21.755 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.770 13.530 22.798 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.725 12.643 23.891 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -0.030 14.327 22.332 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -1.397 15.307 22.822 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.789 15.296 25.016 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -0.366 13.595 24.994 1.00 0.00 H new ATOM 0 HE ARG A 53 1.452 15.807 24.768 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.847 12.568 23.485 1.00 0.00 H new ATOM 0 HH12 ARG A 53 2.551 12.265 23.133 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.635 15.406 24.312 1.00 0.00 H new ATOM 0 HH22 ARG A 53 4.122 13.865 23.599 1.00 0.00 H new ATOM 777 N THR A 54 -2.292 10.146 21.018 1.00 0.00 N ATOM 778 CA THR A 54 -2.840 8.799 21.141 1.00 0.00 C ATOM 779 C THR A 54 -4.154 8.801 21.922 1.00 0.00 C ATOM 780 O THR A 54 -4.612 7.752 22.376 1.00 0.00 O ATOM 781 CB THR A 54 -1.830 7.875 21.825 1.00 0.00 C ATOM 782 OG1 THR A 54 -0.535 8.059 21.281 1.00 0.00 O ATOM 783 CG2 THR A 54 -2.178 6.408 21.696 1.00 0.00 C ATOM 0 H THR A 54 -2.225 10.487 20.059 1.00 0.00 H new ATOM 0 HA THR A 54 -3.042 8.430 20.135 1.00 0.00 H new ATOM 0 HB THR A 54 -1.858 8.147 22.880 1.00 0.00 H new ATOM 0 HG1 THR A 54 0.097 7.461 21.732 1.00 0.00 H new ATOM 0 HG21 THR A 54 -1.422 5.809 22.203 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.151 6.224 22.150 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.212 6.133 20.642 1.00 0.00 H new ATOM 791 N PHE A 55 -4.758 9.980 22.074 1.00 0.00 N ATOM 792 CA PHE A 55 -6.022 10.113 22.798 1.00 0.00 C ATOM 793 C PHE A 55 -5.999 9.319 24.104 1.00 0.00 C ATOM 794 O PHE A 55 -6.551 8.222 24.184 1.00 0.00 O ATOM 795 CB PHE A 55 -7.187 9.647 21.922 1.00 0.00 C ATOM 796 CG PHE A 55 -8.037 10.772 21.405 1.00 0.00 C ATOM 797 CD1 PHE A 55 -8.713 11.606 22.282 1.00 0.00 C ATOM 798 CD2 PHE A 55 -8.157 10.998 20.043 1.00 0.00 C ATOM 799 CE1 PHE A 55 -9.494 12.643 21.810 1.00 0.00 C ATOM 800 CE2 PHE A 55 -8.938 12.034 19.566 1.00 0.00 C ATOM 801 CZ PHE A 55 -9.607 12.858 20.450 1.00 0.00 C ATOM 0 H PHE A 55 -4.392 10.857 21.705 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.158 11.166 23.043 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.792 9.083 21.077 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.813 8.964 22.497 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -8.628 11.443 23.346 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.635 10.358 19.347 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -10.016 13.285 22.504 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -9.025 12.199 18.502 1.00 0.00 H new ATOM 0 HZ PHE A 55 -10.217 13.668 20.079 1.00 0.00 H new ATOM 811 N SER A 56 -5.356 9.881 25.123 1.00 0.00 N ATOM 812 CA SER A 56 -5.263 9.224 26.422 1.00 0.00 C ATOM 813 C SER A 56 -4.520 7.898 26.307 1.00 0.00 C ATOM 814 O SER A 56 -3.984 7.564 25.250 1.00 0.00 O ATOM 815 CB SER A 56 -6.659 8.993 27.002 1.00 0.00 C ATOM 816 OG SER A 56 -6.668 9.187 28.405 1.00 0.00 O ATOM 0 H SER A 56 -4.892 10.788 25.074 1.00 0.00 H new ATOM 0 HA SER A 56 -4.704 9.876 27.093 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.368 9.675 26.533 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.989 7.981 26.770 1.00 0.00 H new ATOM 0 HG SER A 56 -7.572 9.035 28.750 1.00 0.00 H new ATOM 822 N ASN A 57 -4.492 7.144 27.402 1.00 0.00 N ATOM 823 CA ASN A 57 -3.813 5.853 27.422 1.00 0.00 C ATOM 824 C ASN A 57 -4.706 4.777 28.035 1.00 0.00 C ATOM 825 O ASN A 57 -4.277 4.021 28.907 1.00 0.00 O ATOM 826 CB ASN A 57 -2.503 5.955 28.206 1.00 0.00 C ATOM 827 CG ASN A 57 -1.563 6.994 27.629 1.00 0.00 C ATOM 828 OD1 ASN A 57 -0.597 6.661 26.940 1.00 0.00 O ATOM 829 ND2 ASN A 57 -1.840 8.262 27.907 1.00 0.00 N ATOM 0 H ASN A 57 -4.931 7.404 28.285 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.591 5.571 26.393 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -2.723 6.205 29.244 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.008 4.984 28.209 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.242 9.006 27.546 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -2.650 8.493 28.482 1.00 0.00 H new ATOM 836 N ASP A 58 -5.951 4.715 27.572 1.00 0.00 N ATOM 837 CA ASP A 58 -6.904 3.731 28.074 1.00 0.00 C ATOM 838 C ASP A 58 -7.791 3.209 26.949 1.00 0.00 C ATOM 839 O ASP A 58 -8.012 3.894 25.950 1.00 0.00 O ATOM 840 CB ASP A 58 -7.767 4.343 29.178 1.00 0.00 C ATOM 841 CG ASP A 58 -8.061 3.361 30.295 1.00 0.00 C ATOM 842 OD1 ASP A 58 -9.082 2.647 30.205 1.00 0.00 O ATOM 843 OD2 ASP A 58 -7.271 3.305 31.260 1.00 0.00 O ATOM 0 H ASP A 58 -6.323 5.333 26.851 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.340 2.894 28.486 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.260 5.216 29.590 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.706 4.693 28.749 1.00 0.00 H new ATOM 848 N LYS A 59 -8.297 1.991 27.118 1.00 0.00 N ATOM 849 CA LYS A 59 -9.162 1.376 26.117 1.00 0.00 C ATOM 850 C LYS A 59 -10.588 1.904 26.233 1.00 0.00 C ATOM 851 O LYS A 59 -11.400 1.731 25.323 1.00 0.00 O ATOM 852 CB LYS A 59 -9.150 -0.147 26.271 1.00 0.00 C ATOM 853 CG LYS A 59 -8.446 -0.868 25.132 1.00 0.00 C ATOM 854 CD LYS A 59 -9.440 -1.454 24.143 1.00 0.00 C ATOM 855 CE LYS A 59 -9.636 -2.944 24.365 1.00 0.00 C ATOM 856 NZ LYS A 59 -9.896 -3.263 25.797 1.00 0.00 N ATOM 857 OXT LYS A 59 -10.988 2.609 27.412 1.00 0.00 O ATOM 0 H LYS A 59 -8.123 1.411 27.939 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.780 1.636 25.130 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -8.661 -0.405 27.211 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.177 -0.505 26.337 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -7.784 -0.174 24.615 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -7.821 -1.664 25.536 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -10.397 -0.942 24.241 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -9.088 -1.280 23.126 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -10.470 -3.295 23.758 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -8.749 -3.481 24.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.287 -4.224 25.873 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -9.006 -3.208 26.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -10.577 -2.580 26.187 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.564 -16.044 -3.706 1.00 0.00 ZN