USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 388 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 17 GLN :FLIP amide:sc=-0.000359 F(o=-0.9,f=-0.00036) USER MOD Set 1.2: A 26 GLN : amide:sc= 0 K(o=-0.00036,f=-1.1) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 147:sc= -1.4 USER MOD Single : A 9 TYR OH : rot -128:sc= 1.29 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 GLN : amide:sc= 0.0377 K(o=0.038,f=-5.8!) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.08) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 6.849 11.276 10.146 1.00 0.00 N ATOM 2 CA PRO A 1 7.918 12.101 9.633 1.00 0.00 C ATOM 3 C PRO A 1 7.713 12.414 8.145 1.00 0.00 C ATOM 4 O PRO A 1 7.566 13.582 7.763 1.00 0.00 O ATOM 5 CB PRO A 1 9.236 11.397 9.872 1.00 0.00 C ATOM 6 CG PRO A 1 8.876 10.192 10.696 1.00 0.00 C ATOM 7 CD PRO A 1 7.416 10.336 11.108 1.00 0.00 C ATOM 0 H2 PRO A 1 6.392 10.773 9.385 1.00 0.00 H new ATOM 0 H3 PRO A 1 6.137 11.854 10.592 1.00 0.00 H new ATOM 0 HA PRO A 1 7.921 13.057 10.157 1.00 0.00 H new ATOM 0 HB2 PRO A 1 9.708 11.109 8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 1 9.940 12.041 10.398 1.00 0.00 H new ATOM 0 HG2 PRO A 1 9.024 9.277 10.122 1.00 0.00 H new ATOM 0 HG3 PRO A 1 9.517 10.124 11.575 1.00 0.00 H new ATOM 0 HD2 PRO A 1 6.899 9.377 11.076 1.00 0.00 H new ATOM 0 HD3 PRO A 1 7.328 10.712 12.127 1.00 0.00 H new ATOM 17 N ARG A 2 7.684 11.389 7.301 1.00 0.00 N ATOM 18 CA ARG A 2 7.501 11.599 5.871 1.00 0.00 C ATOM 19 C ARG A 2 6.243 10.915 5.381 1.00 0.00 C ATOM 20 O ARG A 2 5.735 9.994 6.027 1.00 0.00 O ATOM 21 CB ARG A 2 8.700 11.093 5.068 1.00 0.00 C ATOM 22 CG ARG A 2 10.001 11.815 5.356 1.00 0.00 C ATOM 23 CD ARG A 2 11.139 11.235 4.536 1.00 0.00 C ATOM 24 NE ARG A 2 11.368 9.812 4.831 1.00 0.00 N ATOM 25 CZ ARG A 2 12.532 9.171 4.688 1.00 0.00 C ATOM 26 NH1 ARG A 2 13.648 9.847 4.401 1.00 0.00 N ATOM 27 NH2 ARG A 2 12.589 7.859 4.873 1.00 0.00 N ATOM 0 H ARG A 2 7.784 10.413 7.579 1.00 0.00 H new ATOM 0 HA ARG A 2 7.410 12.674 5.717 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.836 10.031 5.273 1.00 0.00 H new ATOM 0 HB3 ARG A 2 8.475 11.187 4.006 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.890 12.876 5.131 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.237 11.737 6.417 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.917 11.353 3.475 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.051 11.797 4.735 1.00 0.00 H new ATOM 0 HE ARG A 2 10.574 9.271 5.172 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.616 10.860 4.289 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.532 9.350 4.294 1.00 0.00 H new ATOM 0 HH21 ARG A 2 11.746 7.342 5.124 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.476 7.367 4.765 1.00 0.00 H new ATOM 41 N GLY A 3 5.750 11.349 4.260 1.00 0.00 N ATOM 42 CA GLY A 3 4.576 10.756 3.688 1.00 0.00 C ATOM 43 C GLY A 3 4.809 10.366 2.257 1.00 0.00 C ATOM 44 O GLY A 3 4.143 10.867 1.347 1.00 0.00 O ATOM 0 H GLY A 3 6.145 12.118 3.719 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.291 9.877 4.266 1.00 0.00 H new ATOM 0 HA3 GLY A 3 3.745 11.459 3.746 1.00 0.00 H new ATOM 48 N SER A 4 5.784 9.513 2.047 1.00 0.00 N ATOM 49 CA SER A 4 6.100 9.038 0.730 1.00 0.00 C ATOM 50 C SER A 4 5.055 7.992 0.302 1.00 0.00 C ATOM 51 O SER A 4 4.785 7.030 1.042 1.00 0.00 O ATOM 52 CB SER A 4 7.496 8.440 0.744 1.00 0.00 C ATOM 53 OG SER A 4 8.424 9.359 1.325 1.00 0.00 O ATOM 0 H SER A 4 6.376 9.133 2.785 1.00 0.00 H new ATOM 0 HA SER A 4 6.078 9.859 0.013 1.00 0.00 H new ATOM 0 HB2 SER A 4 7.494 7.508 1.310 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.804 8.195 -0.272 1.00 0.00 H new ATOM 0 HG SER A 4 9.319 8.961 1.330 1.00 0.00 H new ATOM 59 N PRO A 5 4.407 8.193 -0.851 1.00 0.00 N ATOM 60 CA PRO A 5 3.371 7.295 -1.320 1.00 0.00 C ATOM 61 C PRO A 5 3.879 5.897 -1.734 1.00 0.00 C ATOM 62 O PRO A 5 3.391 4.886 -1.231 1.00 0.00 O ATOM 63 CB PRO A 5 2.746 8.036 -2.510 1.00 0.00 C ATOM 64 CG PRO A 5 3.793 8.984 -2.973 1.00 0.00 C ATOM 65 CD PRO A 5 4.601 9.346 -1.759 1.00 0.00 C ATOM 0 HA PRO A 5 2.663 7.076 -0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 5 2.465 7.342 -3.302 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.840 8.564 -2.213 1.00 0.00 H new ATOM 0 HG2 PRO A 5 4.422 8.526 -3.736 1.00 0.00 H new ATOM 0 HG3 PRO A 5 3.344 9.871 -3.420 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.653 9.488 -2.006 1.00 0.00 H new ATOM 0 HD3 PRO A 5 4.251 10.274 -1.308 1.00 0.00 H new ATOM 73 N ARG A 6 4.890 5.837 -2.594 1.00 0.00 N ATOM 74 CA ARG A 6 5.335 4.558 -3.153 1.00 0.00 C ATOM 75 C ARG A 6 5.936 3.618 -2.135 1.00 0.00 C ATOM 76 O ARG A 6 5.737 2.400 -2.227 1.00 0.00 O ATOM 77 CB ARG A 6 6.293 4.728 -4.325 1.00 0.00 C ATOM 78 CG ARG A 6 5.655 5.313 -5.564 1.00 0.00 C ATOM 79 CD ARG A 6 6.626 5.322 -6.726 1.00 0.00 C ATOM 80 NE ARG A 6 7.082 3.970 -7.091 1.00 0.00 N ATOM 81 CZ ARG A 6 7.770 3.676 -8.202 1.00 0.00 C ATOM 82 NH1 ARG A 6 8.066 4.633 -9.084 1.00 0.00 N ATOM 83 NH2 ARG A 6 8.159 2.427 -8.422 1.00 0.00 N ATOM 0 H ARG A 6 5.415 6.649 -2.919 1.00 0.00 H new ATOM 0 HA ARG A 6 4.416 4.098 -3.517 1.00 0.00 H new ATOM 0 HB2 ARG A 6 7.118 5.371 -4.016 1.00 0.00 H new ATOM 0 HB3 ARG A 6 6.721 3.757 -4.574 1.00 0.00 H new ATOM 0 HG2 ARG A 6 4.771 4.733 -5.830 1.00 0.00 H new ATOM 0 HG3 ARG A 6 5.320 6.330 -5.359 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.150 5.787 -7.589 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.489 5.936 -6.469 1.00 0.00 H new ATOM 0 HE ARG A 6 6.859 3.205 -6.454 1.00 0.00 H new ATOM 0 HH11 ARG A 6 7.768 5.594 -8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 6 8.590 4.404 -9.928 1.00 0.00 H new ATOM 0 HH21 ARG A 6 7.934 1.696 -7.747 1.00 0.00 H new ATOM 0 HH22 ARG A 6 8.683 2.197 -9.266 1.00 0.00 H new ATOM 97 N THR A 7 6.637 4.157 -1.172 1.00 0.00 N ATOM 98 CA THR A 7 7.310 3.349 -0.188 1.00 0.00 C ATOM 99 C THR A 7 6.312 2.637 0.730 1.00 0.00 C ATOM 100 O THR A 7 6.357 1.418 0.869 1.00 0.00 O ATOM 101 CB THR A 7 8.285 4.206 0.621 1.00 0.00 C ATOM 102 OG1 THR A 7 7.594 5.355 1.123 1.00 0.00 O ATOM 103 CG2 THR A 7 9.452 4.653 -0.242 1.00 0.00 C ATOM 0 H THR A 7 6.757 5.162 -1.047 1.00 0.00 H new ATOM 0 HA THR A 7 7.876 2.578 -0.711 1.00 0.00 H new ATOM 0 HB THR A 7 8.674 3.612 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.966 5.606 1.994 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.133 5.261 0.353 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.982 3.778 -0.619 1.00 0.00 H new ATOM 0 HG23 THR A 7 9.080 5.241 -1.081 1.00 0.00 H new ATOM 111 N GLU A 8 5.379 3.398 1.295 1.00 0.00 N ATOM 112 CA GLU A 8 4.361 2.868 2.203 1.00 0.00 C ATOM 113 C GLU A 8 3.462 1.874 1.504 1.00 0.00 C ATOM 114 O GLU A 8 3.067 0.852 2.081 1.00 0.00 O ATOM 115 CB GLU A 8 3.527 4.001 2.779 1.00 0.00 C ATOM 116 CG GLU A 8 4.311 4.940 3.677 1.00 0.00 C ATOM 117 CD GLU A 8 4.871 4.230 4.876 1.00 0.00 C ATOM 118 OE1 GLU A 8 6.000 3.729 4.817 1.00 0.00 O ATOM 119 OE2 GLU A 8 4.179 4.146 5.915 1.00 0.00 O ATOM 0 H GLU A 8 5.306 4.403 1.137 1.00 0.00 H new ATOM 0 HA GLU A 8 4.876 2.351 3.013 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.093 4.574 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 8 2.698 3.578 3.346 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.125 5.391 3.109 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.664 5.753 4.006 1.00 0.00 H new ATOM 126 N TYR A 9 3.167 2.157 0.260 1.00 0.00 N ATOM 127 CA TYR A 9 2.338 1.335 -0.535 1.00 0.00 C ATOM 128 C TYR A 9 3.003 -0.017 -0.790 1.00 0.00 C ATOM 129 O TYR A 9 2.408 -1.078 -0.547 1.00 0.00 O ATOM 130 CB TYR A 9 2.056 2.079 -1.837 1.00 0.00 C ATOM 131 CG TYR A 9 1.535 1.225 -2.925 1.00 0.00 C ATOM 132 CD1 TYR A 9 2.393 0.756 -3.887 1.00 0.00 C ATOM 133 CD2 TYR A 9 0.223 0.874 -2.980 1.00 0.00 C ATOM 134 CE1 TYR A 9 1.956 -0.062 -4.902 1.00 0.00 C ATOM 135 CE2 TYR A 9 -0.243 0.062 -3.986 1.00 0.00 C ATOM 136 CZ TYR A 9 0.618 -0.408 -4.949 1.00 0.00 C ATOM 137 OH TYR A 9 0.134 -1.231 -5.950 1.00 0.00 O ATOM 0 H TYR A 9 3.512 2.986 -0.224 1.00 0.00 H new ATOM 0 HA TYR A 9 1.399 1.128 -0.022 1.00 0.00 H new ATOM 0 HB2 TYR A 9 1.337 2.874 -1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.975 2.557 -2.175 1.00 0.00 H new ATOM 0 HD1 TYR A 9 3.435 1.036 -3.846 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.460 1.237 -2.226 1.00 0.00 H new ATOM 0 HE1 TYR A 9 2.645 -0.428 -5.649 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.288 -0.208 -4.020 1.00 0.00 H new ATOM 0 HH TYR A 9 -0.637 -0.805 -6.379 1.00 0.00 H new ATOM 147 N GLU A 10 4.238 0.029 -1.260 1.00 0.00 N ATOM 148 CA GLU A 10 4.965 -1.167 -1.607 1.00 0.00 C ATOM 149 C GLU A 10 5.313 -1.967 -0.349 1.00 0.00 C ATOM 150 O GLU A 10 5.330 -3.202 -0.367 1.00 0.00 O ATOM 151 CB GLU A 10 6.224 -0.804 -2.411 1.00 0.00 C ATOM 152 CG GLU A 10 6.920 -1.988 -3.052 1.00 0.00 C ATOM 153 CD GLU A 10 6.009 -2.746 -3.987 1.00 0.00 C ATOM 154 OE1 GLU A 10 5.200 -3.547 -3.517 1.00 0.00 O ATOM 155 OE2 GLU A 10 6.091 -2.564 -5.220 1.00 0.00 O ATOM 0 H GLU A 10 4.757 0.894 -1.409 1.00 0.00 H new ATOM 0 HA GLU A 10 4.335 -1.798 -2.234 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.950 -0.093 -3.191 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.928 -0.298 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.794 -1.640 -3.602 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.280 -2.661 -2.274 1.00 0.00 H new ATOM 162 N ALA A 11 5.561 -1.258 0.749 1.00 0.00 N ATOM 163 CA ALA A 11 5.860 -1.884 2.027 1.00 0.00 C ATOM 164 C ALA A 11 4.735 -2.795 2.454 1.00 0.00 C ATOM 165 O ALA A 11 4.970 -3.929 2.849 1.00 0.00 O ATOM 166 CB ALA A 11 6.133 -0.846 3.097 1.00 0.00 C ATOM 0 H ALA A 11 5.560 -0.238 0.775 1.00 0.00 H new ATOM 0 HA ALA A 11 6.762 -2.483 1.898 1.00 0.00 H new ATOM 0 HB1 ALA A 11 6.353 -1.345 4.041 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.986 -0.235 2.802 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.256 -0.210 3.219 1.00 0.00 H new ATOM 172 N CYS A 12 3.510 -2.308 2.317 1.00 0.00 N ATOM 173 CA CYS A 12 2.320 -3.072 2.668 1.00 0.00 C ATOM 174 C CYS A 12 2.239 -4.383 1.882 1.00 0.00 C ATOM 175 O CYS A 12 1.927 -5.451 2.449 1.00 0.00 O ATOM 176 CB CYS A 12 1.055 -2.238 2.423 1.00 0.00 C ATOM 177 SG CYS A 12 -0.503 -3.163 2.668 1.00 0.00 S ATOM 0 H CYS A 12 3.312 -1.373 1.960 1.00 0.00 H new ATOM 0 HA CYS A 12 2.390 -3.317 3.728 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.064 -1.378 3.092 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.079 -1.850 1.405 1.00 0.00 H new ATOM 182 N ARG A 13 2.583 -4.325 0.597 1.00 0.00 N ATOM 183 CA ARG A 13 2.465 -5.486 -0.262 1.00 0.00 C ATOM 184 C ARG A 13 3.489 -6.532 0.105 1.00 0.00 C ATOM 185 O ARG A 13 3.159 -7.703 0.240 1.00 0.00 O ATOM 186 CB ARG A 13 2.590 -5.127 -1.739 1.00 0.00 C ATOM 187 CG ARG A 13 1.661 -4.020 -2.182 1.00 0.00 C ATOM 188 CD ARG A 13 1.490 -4.005 -3.686 1.00 0.00 C ATOM 189 NE ARG A 13 2.737 -3.911 -4.433 1.00 0.00 N ATOM 190 CZ ARG A 13 2.855 -4.181 -5.735 1.00 0.00 C ATOM 191 NH1 ARG A 13 1.843 -4.741 -6.402 1.00 0.00 N ATOM 192 NH2 ARG A 13 3.996 -3.930 -6.354 1.00 0.00 N ATOM 0 H ARG A 13 2.943 -3.489 0.136 1.00 0.00 H new ATOM 0 HA ARG A 13 1.466 -5.893 -0.105 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.618 -4.829 -1.944 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.390 -6.016 -2.337 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.689 -4.148 -1.706 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.055 -3.059 -1.850 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.967 -4.912 -3.989 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.853 -3.163 -3.959 1.00 0.00 H new ATOM 0 HE ARG A 13 3.574 -3.620 -3.928 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.974 -4.965 -5.917 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.939 -4.945 -7.397 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.780 -3.532 -5.837 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.092 -4.134 -7.349 1.00 0.00 H new ATOM 206 N VAL A 14 4.720 -6.103 0.304 1.00 0.00 N ATOM 207 CA VAL A 14 5.798 -7.014 0.665 1.00 0.00 C ATOM 208 C VAL A 14 5.573 -7.570 2.067 1.00 0.00 C ATOM 209 O VAL A 14 5.806 -8.758 2.310 1.00 0.00 O ATOM 210 CB VAL A 14 7.185 -6.330 0.575 1.00 0.00 C ATOM 211 CG1 VAL A 14 8.309 -7.303 0.919 1.00 0.00 C ATOM 212 CG2 VAL A 14 7.398 -5.764 -0.808 1.00 0.00 C ATOM 0 H VAL A 14 5.003 -5.126 0.222 1.00 0.00 H new ATOM 0 HA VAL A 14 5.789 -7.835 -0.052 1.00 0.00 H new ATOM 0 HB VAL A 14 7.205 -5.519 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 14 9.268 -6.791 0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 14 8.172 -7.673 1.935 1.00 0.00 H new ATOM 0 HG13 VAL A 14 8.291 -8.141 0.222 1.00 0.00 H new ATOM 0 HG21 VAL A 14 8.376 -5.286 -0.859 1.00 0.00 H new ATOM 0 HG22 VAL A 14 7.349 -6.568 -1.542 1.00 0.00 H new ATOM 0 HG23 VAL A 14 6.623 -5.028 -1.023 1.00 0.00 H new ATOM 222 N ARG A 15 5.065 -6.718 2.963 1.00 0.00 N ATOM 223 CA ARG A 15 4.766 -7.104 4.338 1.00 0.00 C ATOM 224 C ARG A 15 3.814 -8.286 4.303 1.00 0.00 C ATOM 225 O ARG A 15 4.074 -9.315 4.889 1.00 0.00 O ATOM 226 CB ARG A 15 4.123 -5.915 5.101 1.00 0.00 C ATOM 227 CG ARG A 15 4.200 -5.969 6.640 1.00 0.00 C ATOM 228 CD ARG A 15 3.383 -7.088 7.275 1.00 0.00 C ATOM 229 NE ARG A 15 1.938 -6.933 7.043 1.00 0.00 N ATOM 230 CZ ARG A 15 0.976 -7.620 7.686 1.00 0.00 C ATOM 231 NH1 ARG A 15 1.299 -8.500 8.630 1.00 0.00 N ATOM 232 NH2 ARG A 15 -0.305 -7.395 7.390 1.00 0.00 N ATOM 0 H ARG A 15 4.851 -5.743 2.752 1.00 0.00 H new ATOM 0 HA ARG A 15 5.683 -7.380 4.858 1.00 0.00 H new ATOM 0 HB2 ARG A 15 4.602 -4.995 4.767 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.074 -5.851 4.813 1.00 0.00 H new ATOM 0 HG2 ARG A 15 5.243 -6.085 6.935 1.00 0.00 H new ATOM 0 HG3 ARG A 15 3.860 -5.015 7.042 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.711 -8.046 6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.575 -7.110 8.348 1.00 0.00 H new ATOM 0 HE ARG A 15 1.643 -6.253 6.342 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.278 -8.656 8.868 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.567 -9.019 9.115 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.551 -6.705 6.680 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.039 -7.913 7.874 1.00 0.00 H new ATOM 246 N CYS A 16 2.744 -8.150 3.563 1.00 0.00 N ATOM 247 CA CYS A 16 1.779 -9.218 3.463 1.00 0.00 C ATOM 248 C CYS A 16 2.282 -10.381 2.613 1.00 0.00 C ATOM 249 O CYS A 16 1.888 -11.518 2.825 1.00 0.00 O ATOM 250 CB CYS A 16 0.429 -8.700 2.990 1.00 0.00 C ATOM 251 SG CYS A 16 -0.353 -7.569 4.190 1.00 0.00 S ATOM 0 H CYS A 16 2.518 -7.315 3.023 1.00 0.00 H new ATOM 0 HA CYS A 16 1.639 -9.618 4.467 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.556 -8.182 2.039 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.235 -9.544 2.807 1.00 0.00 H new ATOM 256 N GLN A 17 3.187 -10.111 1.703 1.00 0.00 N ATOM 257 CA GLN A 17 3.740 -11.150 0.858 1.00 0.00 C ATOM 258 C GLN A 17 4.601 -12.113 1.687 1.00 0.00 C ATOM 259 O GLN A 17 4.578 -13.326 1.469 1.00 0.00 O ATOM 260 CB GLN A 17 4.547 -10.537 -0.296 1.00 0.00 C ATOM 261 CG GLN A 17 5.062 -11.550 -1.304 1.00 0.00 C ATOM 262 CD GLN A 17 5.807 -10.929 -2.474 1.00 0.00 C ATOM 263 OE1 GLN A 17 5.433 -9.739 -2.861 1.00 0.00 O flip ATOM 264 NE2 GLN A 17 6.706 -11.544 -3.044 1.00 0.00 N flip ATOM 0 H GLN A 17 3.559 -9.178 1.526 1.00 0.00 H new ATOM 0 HA GLN A 17 2.918 -11.720 0.424 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.922 -9.810 -0.815 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.394 -9.991 0.118 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.724 -12.251 -0.795 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.220 -12.127 -1.687 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.975 -12.472 -2.718 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.183 -11.126 -3.843 1.00 0.00 H new ATOM 273 N VAL A 18 5.331 -11.577 2.649 1.00 0.00 N ATOM 274 CA VAL A 18 6.172 -12.405 3.492 1.00 0.00 C ATOM 275 C VAL A 18 5.465 -12.825 4.804 1.00 0.00 C ATOM 276 O VAL A 18 5.543 -13.978 5.205 1.00 0.00 O ATOM 277 CB VAL A 18 7.569 -11.743 3.780 1.00 0.00 C ATOM 278 CG1 VAL A 18 7.448 -10.419 4.525 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.496 -12.704 4.524 1.00 0.00 C ATOM 0 H VAL A 18 5.358 -10.580 2.864 1.00 0.00 H new ATOM 0 HA VAL A 18 6.359 -13.316 2.924 1.00 0.00 H new ATOM 0 HB VAL A 18 8.012 -11.521 2.809 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.442 -10.006 4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.863 -9.719 3.929 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.953 -10.584 5.482 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.453 -12.217 4.708 1.00 0.00 H new ATOM 0 HG22 VAL A 18 8.043 -12.984 5.475 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.654 -13.598 3.920 1.00 0.00 H new ATOM 289 N ALA A 19 4.747 -11.910 5.439 1.00 0.00 N ATOM 290 CA ALA A 19 4.116 -12.206 6.720 1.00 0.00 C ATOM 291 C ALA A 19 2.868 -13.047 6.561 1.00 0.00 C ATOM 292 O ALA A 19 2.683 -14.036 7.280 1.00 0.00 O ATOM 293 CB ALA A 19 3.813 -10.937 7.498 1.00 0.00 C ATOM 0 H ALA A 19 4.587 -10.964 5.093 1.00 0.00 H new ATOM 0 HA ALA A 19 4.835 -12.792 7.293 1.00 0.00 H new ATOM 0 HB1 ALA A 19 3.343 -11.195 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.740 -10.396 7.687 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.138 -10.307 6.919 1.00 0.00 H new ATOM 299 N GLU A 20 2.017 -12.669 5.636 1.00 0.00 N ATOM 300 CA GLU A 20 0.801 -13.412 5.400 1.00 0.00 C ATOM 301 C GLU A 20 1.144 -14.623 4.562 1.00 0.00 C ATOM 302 O GLU A 20 0.891 -15.765 4.968 1.00 0.00 O ATOM 303 CB GLU A 20 -0.249 -12.544 4.676 1.00 0.00 C ATOM 304 CG GLU A 20 -0.641 -11.262 5.410 1.00 0.00 C ATOM 305 CD GLU A 20 -1.303 -11.532 6.735 1.00 0.00 C ATOM 306 OE1 GLU A 20 -2.552 -11.509 6.808 1.00 0.00 O ATOM 307 OE2 GLU A 20 -0.598 -11.777 7.722 1.00 0.00 O ATOM 0 H GLU A 20 2.143 -11.854 5.036 1.00 0.00 H new ATOM 0 HA GLU A 20 0.371 -13.718 6.354 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.137 -12.278 3.692 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.146 -13.142 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.249 -10.653 5.570 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.316 -10.681 4.782 1.00 0.00 H new ATOM 314 N HIS A 21 1.793 -14.354 3.428 1.00 0.00 N ATOM 315 CA HIS A 21 2.186 -15.364 2.448 1.00 0.00 C ATOM 316 C HIS A 21 0.943 -16.003 1.851 1.00 0.00 C ATOM 317 O HIS A 21 0.381 -16.961 2.402 1.00 0.00 O ATOM 318 CB HIS A 21 3.155 -16.423 3.042 1.00 0.00 C ATOM 319 CG HIS A 21 3.638 -17.454 2.056 1.00 0.00 C ATOM 320 ND1 HIS A 21 3.100 -18.717 1.934 1.00 0.00 N ATOM 321 CD2 HIS A 21 4.629 -17.387 1.146 1.00 0.00 C ATOM 322 CE1 HIS A 21 3.763 -19.359 0.977 1.00 0.00 C ATOM 323 NE2 HIS A 21 4.708 -18.596 0.460 1.00 0.00 N ATOM 0 H HIS A 21 2.065 -13.408 3.161 1.00 0.00 H new ATOM 0 HA HIS A 21 2.744 -14.869 1.653 1.00 0.00 H new ATOM 0 HB2 HIS A 21 4.019 -15.910 3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.655 -16.933 3.865 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.263 -16.530 0.975 1.00 0.00 H new ATOM 0 HE1 HIS A 21 3.556 -20.372 0.664 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.359 -18.841 -0.286 1.00 0.00 H new ATOM 331 N GLY A 22 0.482 -15.424 0.790 1.00 0.00 N ATOM 332 CA GLY A 22 -0.687 -15.899 0.133 1.00 0.00 C ATOM 333 C GLY A 22 -1.243 -14.839 -0.757 1.00 0.00 C ATOM 334 O GLY A 22 -1.458 -13.704 -0.301 1.00 0.00 O ATOM 0 H GLY A 22 0.909 -14.606 0.355 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.449 -16.787 -0.452 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.434 -16.194 0.871 1.00 0.00 H new ATOM 338 N VAL A 23 -1.472 -15.195 -2.013 1.00 0.00 N ATOM 339 CA VAL A 23 -1.958 -14.270 -3.047 1.00 0.00 C ATOM 340 C VAL A 23 -3.213 -13.531 -2.591 1.00 0.00 C ATOM 341 O VAL A 23 -3.313 -12.318 -2.768 1.00 0.00 O ATOM 342 CB VAL A 23 -2.256 -15.008 -4.389 1.00 0.00 C ATOM 343 CG1 VAL A 23 -2.728 -14.037 -5.462 1.00 0.00 C ATOM 344 CG2 VAL A 23 -1.034 -15.759 -4.877 1.00 0.00 C ATOM 0 H VAL A 23 -1.326 -16.145 -2.355 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.159 -13.547 -3.213 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.055 -15.723 -4.195 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -2.927 -14.583 -6.384 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -3.640 -13.542 -5.129 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -1.955 -13.290 -5.642 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.268 -16.265 -5.814 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.216 -15.057 -5.038 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.738 -16.496 -4.131 1.00 0.00 H new ATOM 354 N GLU A 24 -4.136 -14.260 -1.967 1.00 0.00 N ATOM 355 CA GLU A 24 -5.381 -13.681 -1.498 1.00 0.00 C ATOM 356 C GLU A 24 -5.128 -12.526 -0.516 1.00 0.00 C ATOM 357 O GLU A 24 -5.618 -11.424 -0.719 1.00 0.00 O ATOM 358 CB GLU A 24 -6.318 -14.743 -0.876 1.00 0.00 C ATOM 359 CG GLU A 24 -5.765 -15.457 0.353 1.00 0.00 C ATOM 360 CD GLU A 24 -6.776 -16.355 1.010 1.00 0.00 C ATOM 361 OE1 GLU A 24 -6.725 -17.579 0.816 1.00 0.00 O ATOM 362 OE2 GLU A 24 -7.646 -15.849 1.748 1.00 0.00 O ATOM 0 H GLU A 24 -4.039 -15.257 -1.777 1.00 0.00 H new ATOM 0 HA GLU A 24 -5.889 -13.274 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.257 -14.261 -0.605 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.550 -15.489 -1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.895 -16.047 0.064 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.422 -14.715 1.074 1.00 0.00 H new ATOM 369 N ARG A 25 -4.300 -12.762 0.497 1.00 0.00 N ATOM 370 CA ARG A 25 -4.041 -11.753 1.509 1.00 0.00 C ATOM 371 C ARG A 25 -3.150 -10.655 0.981 1.00 0.00 C ATOM 372 O ARG A 25 -3.313 -9.499 1.343 1.00 0.00 O ATOM 373 CB ARG A 25 -3.478 -12.345 2.797 1.00 0.00 C ATOM 374 CG ARG A 25 -4.456 -13.233 3.550 1.00 0.00 C ATOM 375 CD ARG A 25 -3.896 -13.626 4.898 1.00 0.00 C ATOM 376 NE ARG A 25 -4.829 -14.435 5.677 1.00 0.00 N ATOM 377 CZ ARG A 25 -4.957 -14.379 7.011 1.00 0.00 C ATOM 378 NH1 ARG A 25 -4.243 -13.498 7.727 1.00 0.00 N ATOM 379 NH2 ARG A 25 -5.813 -15.194 7.623 1.00 0.00 N ATOM 0 H ARG A 25 -3.800 -13.640 0.636 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.007 -11.314 1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.586 -12.925 2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.164 -11.532 3.451 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.402 -12.708 3.683 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.667 -14.128 2.964 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -2.970 -14.182 4.755 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -3.644 -12.726 5.459 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.426 -15.089 5.171 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -3.597 -12.864 7.257 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.346 -13.462 8.741 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.366 -15.855 7.078 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.916 -15.157 8.637 1.00 0.00 H new ATOM 393 N GLN A 26 -2.226 -11.016 0.110 1.00 0.00 N ATOM 394 CA GLN A 26 -1.358 -10.051 -0.555 1.00 0.00 C ATOM 395 C GLN A 26 -2.207 -9.064 -1.359 1.00 0.00 C ATOM 396 O GLN A 26 -2.012 -7.842 -1.277 1.00 0.00 O ATOM 397 CB GLN A 26 -0.362 -10.798 -1.449 1.00 0.00 C ATOM 398 CG GLN A 26 0.440 -9.938 -2.416 1.00 0.00 C ATOM 399 CD GLN A 26 1.438 -10.766 -3.203 1.00 0.00 C ATOM 400 OE1 GLN A 26 1.240 -11.966 -3.417 1.00 0.00 O ATOM 401 NE2 GLN A 26 2.474 -10.146 -3.688 1.00 0.00 N ATOM 0 H GLN A 26 -2.053 -11.985 -0.159 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.793 -9.481 0.183 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.336 -11.338 -0.809 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.909 -11.544 -2.025 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.238 -9.434 -3.104 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.967 -9.161 -1.862 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.611 -9.154 -3.494 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.149 -10.652 -4.262 1.00 0.00 H new ATOM 410 N ARG A 27 -3.179 -9.602 -2.075 1.00 0.00 N ATOM 411 CA ARG A 27 -4.097 -8.813 -2.865 1.00 0.00 C ATOM 412 C ARG A 27 -4.987 -7.979 -1.943 1.00 0.00 C ATOM 413 O ARG A 27 -5.197 -6.796 -2.191 1.00 0.00 O ATOM 414 CB ARG A 27 -4.947 -9.727 -3.740 1.00 0.00 C ATOM 415 CG ARG A 27 -5.825 -9.004 -4.738 1.00 0.00 C ATOM 416 CD ARG A 27 -6.638 -9.993 -5.538 1.00 0.00 C ATOM 417 NE ARG A 27 -7.459 -9.361 -6.573 1.00 0.00 N ATOM 418 CZ ARG A 27 -8.507 -9.944 -7.171 1.00 0.00 C ATOM 419 NH1 ARG A 27 -8.888 -11.178 -6.823 1.00 0.00 N ATOM 420 NH2 ARG A 27 -9.171 -9.292 -8.121 1.00 0.00 N ATOM 0 H ARG A 27 -3.351 -10.606 -2.122 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.531 -8.141 -3.510 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -4.288 -10.407 -4.281 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -5.579 -10.340 -3.097 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -6.489 -8.316 -4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -5.208 -8.405 -5.408 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -5.966 -10.712 -6.006 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -7.284 -10.553 -4.862 1.00 0.00 H new ATOM 0 HE ARG A 27 -7.217 -8.412 -6.858 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.380 -11.683 -6.097 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -9.687 -11.614 -7.284 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.882 -8.352 -8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.969 -9.732 -8.579 1.00 0.00 H new ATOM 434 N ARG A 28 -5.483 -8.602 -0.868 1.00 0.00 N ATOM 435 CA ARG A 28 -6.315 -7.912 0.136 1.00 0.00 C ATOM 436 C ARG A 28 -5.594 -6.717 0.721 1.00 0.00 C ATOM 437 O ARG A 28 -6.172 -5.619 0.823 1.00 0.00 O ATOM 438 CB ARG A 28 -6.747 -8.857 1.267 1.00 0.00 C ATOM 439 CG ARG A 28 -7.728 -9.931 0.853 1.00 0.00 C ATOM 440 CD ARG A 28 -9.023 -9.331 0.353 1.00 0.00 C ATOM 441 NE ARG A 28 -9.953 -10.352 -0.085 1.00 0.00 N ATOM 442 CZ ARG A 28 -11.241 -10.157 -0.334 1.00 0.00 C ATOM 443 NH1 ARG A 28 -11.786 -8.961 -0.135 1.00 0.00 N ATOM 444 NH2 ARG A 28 -11.980 -11.158 -0.772 1.00 0.00 N ATOM 0 H ARG A 28 -5.324 -9.589 -0.666 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.208 -7.567 -0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.859 -9.335 1.682 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.193 -8.265 2.066 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.286 -10.549 0.071 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -7.932 -10.586 1.700 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.480 -8.739 1.146 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.814 -8.651 -0.473 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.588 -11.296 -0.212 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.213 -8.191 0.210 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.777 -8.814 -0.327 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.560 -12.076 -0.918 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.971 -11.014 -0.965 1.00 0.00 H new ATOM 458 N CYS A 29 -4.349 -6.930 1.105 1.00 0.00 N ATOM 459 CA CYS A 29 -3.518 -5.883 1.625 1.00 0.00 C ATOM 460 C CYS A 29 -3.302 -4.800 0.579 1.00 0.00 C ATOM 461 O CYS A 29 -3.535 -3.621 0.856 1.00 0.00 O ATOM 462 CB CYS A 29 -2.181 -6.446 2.118 1.00 0.00 C ATOM 463 SG CYS A 29 -2.282 -7.494 3.598 1.00 0.00 S ATOM 0 H CYS A 29 -3.893 -7.841 1.061 1.00 0.00 H new ATOM 0 HA CYS A 29 -4.027 -5.432 2.477 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.730 -7.025 1.312 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.509 -5.613 2.327 1.00 0.00 H new ATOM 468 N GLN A 30 -2.920 -5.204 -0.642 1.00 0.00 N ATOM 469 CA GLN A 30 -2.683 -4.249 -1.715 1.00 0.00 C ATOM 470 C GLN A 30 -3.914 -3.413 -1.997 1.00 0.00 C ATOM 471 O GLN A 30 -3.811 -2.212 -2.075 1.00 0.00 O ATOM 472 CB GLN A 30 -2.195 -4.921 -3.004 1.00 0.00 C ATOM 473 CG GLN A 30 -2.047 -3.939 -4.171 1.00 0.00 C ATOM 474 CD GLN A 30 -1.501 -4.567 -5.430 1.00 0.00 C ATOM 475 OE1 GLN A 30 -0.714 -5.507 -5.386 1.00 0.00 O ATOM 476 NE2 GLN A 30 -1.936 -4.085 -6.554 1.00 0.00 N ATOM 0 H GLN A 30 -2.772 -6.179 -0.902 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.887 -3.592 -1.364 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.235 -5.401 -2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.895 -5.708 -3.285 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.020 -3.498 -4.388 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.389 -3.125 -3.867 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.590 -3.302 -6.554 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.624 -4.489 -7.437 1.00 0.00 H new ATOM 485 N GLN A 31 -5.069 -4.061 -2.097 1.00 0.00 N ATOM 486 CA GLN A 31 -6.335 -3.395 -2.405 1.00 0.00 C ATOM 487 C GLN A 31 -6.577 -2.226 -1.453 1.00 0.00 C ATOM 488 O GLN A 31 -6.813 -1.091 -1.888 1.00 0.00 O ATOM 489 CB GLN A 31 -7.491 -4.382 -2.282 1.00 0.00 C ATOM 490 CG GLN A 31 -8.828 -3.837 -2.762 1.00 0.00 C ATOM 491 CD GLN A 31 -9.974 -4.771 -2.459 1.00 0.00 C ATOM 492 OE1 GLN A 31 -9.801 -5.987 -2.376 1.00 0.00 O ATOM 493 NE2 GLN A 31 -11.142 -4.233 -2.299 1.00 0.00 N ATOM 0 H GLN A 31 -5.157 -5.069 -1.966 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.278 -3.019 -3.426 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.251 -5.279 -2.853 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.587 -4.684 -1.239 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -9.015 -2.873 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.781 -3.662 -3.837 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.252 -3.222 -2.374 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -11.951 -4.821 -2.098 1.00 0.00 H new ATOM 502 N VAL A 32 -6.474 -2.506 -0.167 1.00 0.00 N ATOM 503 CA VAL A 32 -6.708 -1.509 0.861 1.00 0.00 C ATOM 504 C VAL A 32 -5.581 -0.481 0.912 1.00 0.00 C ATOM 505 O VAL A 32 -5.836 0.723 0.885 1.00 0.00 O ATOM 506 CB VAL A 32 -6.906 -2.164 2.247 1.00 0.00 C ATOM 507 CG1 VAL A 32 -7.065 -1.116 3.335 1.00 0.00 C ATOM 508 CG2 VAL A 32 -8.124 -3.059 2.220 1.00 0.00 C ATOM 0 H VAL A 32 -6.227 -3.428 0.193 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.628 -0.988 0.597 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.019 -2.756 2.472 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.202 -1.609 4.298 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.173 -0.491 3.371 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.934 -0.495 3.118 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.260 -3.519 3.199 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -9.005 -2.467 1.972 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.987 -3.838 1.470 1.00 0.00 H new ATOM 518 N CYS A 33 -4.349 -0.946 0.938 1.00 0.00 N ATOM 519 CA CYS A 33 -3.202 -0.056 1.009 1.00 0.00 C ATOM 520 C CYS A 33 -3.103 0.849 -0.224 1.00 0.00 C ATOM 521 O CYS A 33 -2.670 1.999 -0.118 1.00 0.00 O ATOM 522 CB CYS A 33 -1.912 -0.844 1.263 1.00 0.00 C ATOM 523 SG CYS A 33 -1.921 -1.732 2.864 1.00 0.00 S ATOM 0 H CYS A 33 -4.113 -1.938 0.911 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.347 0.608 1.861 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.766 -1.562 0.456 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -1.064 -0.160 1.238 1.00 0.00 H new ATOM 528 N GLU A 34 -3.548 0.353 -1.371 1.00 0.00 N ATOM 529 CA GLU A 34 -3.566 1.139 -2.581 1.00 0.00 C ATOM 530 C GLU A 34 -4.703 2.122 -2.519 1.00 0.00 C ATOM 531 O GLU A 34 -4.562 3.255 -2.950 1.00 0.00 O ATOM 532 CB GLU A 34 -3.716 0.264 -3.826 1.00 0.00 C ATOM 533 CG GLU A 34 -3.472 1.016 -5.125 1.00 0.00 C ATOM 534 CD GLU A 34 -3.416 0.115 -6.319 1.00 0.00 C ATOM 535 OE1 GLU A 34 -2.299 -0.347 -6.678 1.00 0.00 O ATOM 536 OE2 GLU A 34 -4.472 -0.142 -6.929 1.00 0.00 O ATOM 0 H GLU A 34 -3.902 -0.597 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.613 1.664 -2.655 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.018 -0.570 -3.761 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.720 -0.161 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.264 1.751 -5.268 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.535 1.568 -5.049 1.00 0.00 H new ATOM 543 N LYS A 35 -5.833 1.685 -1.967 1.00 0.00 N ATOM 544 CA LYS A 35 -6.978 2.520 -1.841 1.00 0.00 C ATOM 545 C LYS A 35 -6.670 3.704 -0.964 1.00 0.00 C ATOM 546 O LYS A 35 -6.842 4.819 -1.382 1.00 0.00 O ATOM 547 CB LYS A 35 -8.140 1.753 -1.261 1.00 0.00 C ATOM 548 CG LYS A 35 -9.425 2.483 -1.415 1.00 0.00 C ATOM 549 CD LYS A 35 -10.572 1.706 -0.869 1.00 0.00 C ATOM 550 CE LYS A 35 -11.849 2.276 -1.401 1.00 0.00 C ATOM 551 NZ LYS A 35 -12.094 3.676 -0.973 1.00 0.00 N ATOM 0 H LYS A 35 -5.959 0.741 -1.602 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.249 2.870 -2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.214 0.782 -1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.956 1.563 -0.204 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.361 3.444 -0.904 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.599 2.694 -2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.483 0.657 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.568 1.745 0.220 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.830 2.235 -2.490 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.681 1.653 -1.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.079 3.936 -1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.925 3.761 0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.450 4.313 -1.484 1.00 0.00 H new ATOM 565 N ARG A 36 -6.159 3.443 0.237 1.00 0.00 N ATOM 566 CA ARG A 36 -5.842 4.508 1.201 1.00 0.00 C ATOM 567 C ARG A 36 -4.827 5.482 0.602 1.00 0.00 C ATOM 568 O ARG A 36 -4.900 6.705 0.810 1.00 0.00 O ATOM 569 CB ARG A 36 -5.285 3.930 2.504 1.00 0.00 C ATOM 570 CG ARG A 36 -6.180 2.900 3.180 1.00 0.00 C ATOM 571 CD ARG A 36 -5.624 2.454 4.530 1.00 0.00 C ATOM 572 NE ARG A 36 -4.223 1.994 4.449 1.00 0.00 N ATOM 573 CZ ARG A 36 -3.709 0.946 5.120 1.00 0.00 C ATOM 574 NH1 ARG A 36 -4.497 0.140 5.842 1.00 0.00 N ATOM 575 NH2 ARG A 36 -2.406 0.701 5.058 1.00 0.00 N ATOM 0 H ARG A 36 -5.953 2.502 0.572 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.768 5.038 1.424 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.318 3.471 2.297 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.106 4.749 3.201 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.175 3.321 3.320 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.290 2.033 2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.689 3.282 5.236 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.244 1.649 4.925 1.00 0.00 H new ATOM 0 HE ARG A 36 -3.594 2.512 3.835 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.501 0.316 5.889 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.094 -0.650 6.345 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -1.799 1.305 4.504 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.011 -0.092 5.564 1.00 0.00 H new ATOM 589 N LEU A 37 -3.905 4.922 -0.159 1.00 0.00 N ATOM 590 CA LEU A 37 -2.890 5.673 -0.854 1.00 0.00 C ATOM 591 C LEU A 37 -3.599 6.602 -1.855 1.00 0.00 C ATOM 592 O LEU A 37 -3.411 7.827 -1.840 1.00 0.00 O ATOM 593 CB LEU A 37 -1.965 4.653 -1.576 1.00 0.00 C ATOM 594 CG LEU A 37 -0.577 5.105 -2.062 1.00 0.00 C ATOM 595 CD1 LEU A 37 -0.642 6.118 -3.188 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.239 5.622 -0.898 1.00 0.00 C ATOM 0 H LEU A 37 -3.844 3.915 -0.310 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.285 6.282 -0.182 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.817 3.811 -0.900 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.508 4.275 -2.442 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.081 4.229 -2.481 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.369 6.397 -3.486 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.164 5.682 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.178 7.005 -2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.219 5.939 -1.253 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.273 6.469 -0.442 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.360 4.831 -0.158 1.00 0.00 H new ATOM 608 N ARG A 38 -4.455 6.001 -2.659 1.00 0.00 N ATOM 609 CA ARG A 38 -5.220 6.678 -3.690 1.00 0.00 C ATOM 610 C ARG A 38 -6.135 7.742 -3.098 1.00 0.00 C ATOM 611 O ARG A 38 -6.294 8.790 -3.674 1.00 0.00 O ATOM 612 CB ARG A 38 -6.042 5.659 -4.473 1.00 0.00 C ATOM 613 CG ARG A 38 -6.767 6.218 -5.680 1.00 0.00 C ATOM 614 CD ARG A 38 -7.568 5.138 -6.380 1.00 0.00 C ATOM 615 NE ARG A 38 -6.749 3.956 -6.691 1.00 0.00 N ATOM 616 CZ ARG A 38 -6.136 3.724 -7.858 1.00 0.00 C ATOM 617 NH1 ARG A 38 -6.283 4.577 -8.872 1.00 0.00 N ATOM 618 NH2 ARG A 38 -5.395 2.629 -8.016 1.00 0.00 N ATOM 0 H ARG A 38 -4.643 5.000 -2.612 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.519 7.176 -4.360 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -5.381 4.857 -4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.775 5.212 -3.802 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.431 7.024 -5.369 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -6.046 6.649 -6.375 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.406 4.842 -5.749 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.989 5.539 -7.302 1.00 0.00 H new ATOM 0 HE ARG A 38 -6.639 3.256 -5.957 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -6.863 5.408 -8.759 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -5.815 4.398 -9.761 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.294 1.966 -7.247 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.928 2.453 -8.906 1.00 0.00 H new ATOM 632 N GLU A 39 -6.717 7.464 -1.938 1.00 0.00 N ATOM 633 CA GLU A 39 -7.611 8.414 -1.264 1.00 0.00 C ATOM 634 C GLU A 39 -6.873 9.713 -0.954 1.00 0.00 C ATOM 635 O GLU A 39 -7.377 10.814 -1.195 1.00 0.00 O ATOM 636 CB GLU A 39 -8.150 7.840 0.056 1.00 0.00 C ATOM 637 CG GLU A 39 -8.904 6.523 -0.036 1.00 0.00 C ATOM 638 CD GLU A 39 -10.067 6.550 -0.978 1.00 0.00 C ATOM 639 OE1 GLU A 39 -10.836 7.534 -0.977 1.00 0.00 O ATOM 640 OE2 GLU A 39 -10.279 5.568 -1.700 1.00 0.00 O ATOM 0 H GLU A 39 -6.589 6.585 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 39 -8.444 8.604 -1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -7.310 7.706 0.738 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -8.811 8.581 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -8.212 5.742 -0.352 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -9.261 6.251 0.957 1.00 0.00 H new ATOM 647 N ARG A 40 -5.660 9.572 -0.461 1.00 0.00 N ATOM 648 CA ARG A 40 -4.851 10.708 -0.071 1.00 0.00 C ATOM 649 C ARG A 40 -4.347 11.473 -1.301 1.00 0.00 C ATOM 650 O ARG A 40 -4.055 12.665 -1.230 1.00 0.00 O ATOM 651 CB ARG A 40 -3.705 10.246 0.821 1.00 0.00 C ATOM 652 CG ARG A 40 -2.791 11.348 1.337 1.00 0.00 C ATOM 653 CD ARG A 40 -1.724 10.772 2.247 1.00 0.00 C ATOM 654 NE ARG A 40 -2.312 10.070 3.399 1.00 0.00 N ATOM 655 CZ ARG A 40 -1.901 8.889 3.878 1.00 0.00 C ATOM 656 NH1 ARG A 40 -0.901 8.237 3.285 1.00 0.00 N ATOM 657 NH2 ARG A 40 -2.503 8.359 4.943 1.00 0.00 N ATOM 0 H ARG A 40 -5.208 8.669 -0.320 1.00 0.00 H new ATOM 0 HA ARG A 40 -5.466 11.402 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -4.124 9.716 1.676 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.102 9.528 0.265 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.322 11.862 0.498 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.377 12.090 1.879 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.097 10.082 1.682 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.076 11.574 2.601 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.096 10.520 3.871 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.447 8.638 2.464 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.590 7.338 3.652 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -3.275 8.853 5.391 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.192 7.460 5.310 1.00 0.00 H new ATOM 671 N GLU A 41 -4.263 10.793 -2.417 1.00 0.00 N ATOM 672 CA GLU A 41 -3.871 11.433 -3.656 1.00 0.00 C ATOM 673 C GLU A 41 -5.099 12.089 -4.312 1.00 0.00 C ATOM 674 O GLU A 41 -5.056 13.246 -4.728 1.00 0.00 O ATOM 675 CB GLU A 41 -3.249 10.411 -4.613 1.00 0.00 C ATOM 676 CG GLU A 41 -2.035 9.674 -4.056 1.00 0.00 C ATOM 677 CD GLU A 41 -0.883 10.585 -3.708 1.00 0.00 C ATOM 678 OE1 GLU A 41 -0.149 11.009 -4.622 1.00 0.00 O ATOM 679 OE2 GLU A 41 -0.673 10.896 -2.519 1.00 0.00 O ATOM 0 H GLU A 41 -4.460 9.795 -2.497 1.00 0.00 H new ATOM 0 HA GLU A 41 -3.127 12.199 -3.437 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.009 9.678 -4.885 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.957 10.923 -5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.333 9.122 -3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -1.699 8.940 -4.788 1.00 0.00 H new ATOM 686 N GLY A 42 -6.204 11.350 -4.326 1.00 0.00 N ATOM 687 CA GLY A 42 -7.439 11.772 -4.964 1.00 0.00 C ATOM 688 C GLY A 42 -8.080 12.970 -4.306 1.00 0.00 C ATOM 689 O GLY A 42 -8.804 13.721 -4.950 1.00 0.00 O ATOM 0 H GLY A 42 -6.264 10.431 -3.888 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.237 12.007 -6.009 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.145 10.942 -4.955 1.00 0.00 H new ATOM 693 N ARG A 43 -7.810 13.162 -3.026 1.00 0.00 N ATOM 694 CA ARG A 43 -8.325 14.325 -2.307 1.00 0.00 C ATOM 695 C ARG A 43 -7.652 15.617 -2.795 1.00 0.00 C ATOM 696 O ARG A 43 -8.113 16.713 -2.506 1.00 0.00 O ATOM 697 CB ARG A 43 -8.178 14.164 -0.783 1.00 0.00 C ATOM 698 CG ARG A 43 -6.746 14.012 -0.305 1.00 0.00 C ATOM 699 CD ARG A 43 -6.662 13.792 1.198 1.00 0.00 C ATOM 700 NE ARG A 43 -7.134 14.949 1.966 1.00 0.00 N ATOM 701 CZ ARG A 43 -7.067 15.066 3.298 1.00 0.00 C ATOM 702 NH1 ARG A 43 -6.585 14.076 4.038 1.00 0.00 N ATOM 703 NH2 ARG A 43 -7.496 16.172 3.891 1.00 0.00 N ATOM 0 H ARG A 43 -7.240 12.533 -2.461 1.00 0.00 H new ATOM 0 HA ARG A 43 -9.391 14.397 -2.524 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -8.622 15.031 -0.294 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -8.749 13.292 -0.465 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -6.280 13.172 -0.820 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -6.179 14.904 -0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -7.254 12.917 1.467 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -5.630 13.575 1.472 1.00 0.00 H new ATOM 0 HE ARG A 43 -7.545 15.724 1.445 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.262 13.217 3.593 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.538 14.174 5.052 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -7.878 16.935 3.332 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.444 16.259 4.906 1.00 0.00 H new ATOM 717 N ARG A 44 -6.562 15.472 -3.545 1.00 0.00 N ATOM 718 CA ARG A 44 -5.863 16.611 -4.104 1.00 0.00 C ATOM 719 C ARG A 44 -6.187 16.710 -5.588 1.00 0.00 C ATOM 720 O ARG A 44 -5.549 17.459 -6.333 1.00 0.00 O ATOM 721 CB ARG A 44 -4.351 16.484 -3.917 1.00 0.00 C ATOM 722 CG ARG A 44 -3.911 16.188 -2.492 1.00 0.00 C ATOM 723 CD ARG A 44 -2.395 16.201 -2.366 1.00 0.00 C ATOM 724 NE ARG A 44 -1.751 15.453 -3.451 1.00 0.00 N ATOM 725 CZ ARG A 44 -1.274 14.210 -3.386 1.00 0.00 C ATOM 726 NH1 ARG A 44 -1.343 13.505 -2.259 1.00 0.00 N ATOM 727 NH2 ARG A 44 -0.732 13.673 -4.469 1.00 0.00 N ATOM 0 H ARG A 44 -6.147 14.569 -3.777 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.191 17.510 -3.582 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.983 15.692 -4.569 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.879 17.410 -4.244 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.340 16.927 -1.816 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -4.295 15.215 -2.186 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -2.039 17.231 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.106 15.771 -1.407 1.00 0.00 H new ATOM 0 HE ARG A 44 -1.659 15.933 -4.346 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.766 13.915 -1.426 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -0.973 12.555 -2.228 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -0.685 14.210 -5.335 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -0.362 12.723 -4.437 1.00 0.00 H new ATOM 741 N GLU A 45 -7.165 15.933 -6.012 1.00 0.00 N ATOM 742 CA GLU A 45 -7.629 15.925 -7.375 1.00 0.00 C ATOM 743 C GLU A 45 -9.082 16.357 -7.405 1.00 0.00 C ATOM 744 O GLU A 45 -9.872 15.904 -6.571 1.00 0.00 O ATOM 745 CB GLU A 45 -7.485 14.533 -7.998 1.00 0.00 C ATOM 746 CG GLU A 45 -6.051 14.069 -8.211 1.00 0.00 C ATOM 747 CD GLU A 45 -5.985 12.715 -8.877 1.00 0.00 C ATOM 748 OE1 GLU A 45 -6.599 12.540 -9.955 1.00 0.00 O ATOM 749 OE2 GLU A 45 -5.307 11.803 -8.363 1.00 0.00 O ATOM 0 H GLU A 45 -7.663 15.282 -5.405 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.022 16.618 -7.958 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.993 13.811 -7.359 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -8.000 14.526 -8.959 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.521 14.799 -8.822 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.538 14.025 -7.250 1.00 0.00 H new ATOM 756 N VAL A 46 -9.422 17.210 -8.364 1.00 0.00 N ATOM 757 CA VAL A 46 -10.768 17.780 -8.527 1.00 0.00 C ATOM 758 C VAL A 46 -11.106 18.721 -7.365 1.00 0.00 C ATOM 759 O VAL A 46 -11.538 18.294 -6.290 1.00 0.00 O ATOM 760 CB VAL A 46 -11.886 16.701 -8.720 1.00 0.00 C ATOM 761 CG1 VAL A 46 -13.251 17.350 -8.928 1.00 0.00 C ATOM 762 CG2 VAL A 46 -11.557 15.781 -9.892 1.00 0.00 C ATOM 0 H VAL A 46 -8.761 17.536 -9.069 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.744 18.355 -9.453 1.00 0.00 H new ATOM 0 HB VAL A 46 -11.927 16.104 -7.809 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -14.006 16.575 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.501 17.957 -8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -13.222 17.982 -9.816 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -12.348 15.040 -10.006 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.477 16.370 -10.806 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.610 15.275 -9.703 1.00 0.00 H new ATOM 772 N ASP A 47 -10.867 19.991 -7.571 1.00 0.00 N ATOM 773 CA ASP A 47 -11.121 20.984 -6.549 1.00 0.00 C ATOM 774 C ASP A 47 -12.128 21.948 -7.067 1.00 0.00 C ATOM 775 O ASP A 47 -13.324 21.794 -6.769 1.00 0.00 O ATOM 776 CB ASP A 47 -9.861 21.765 -6.148 1.00 0.00 C ATOM 777 CG ASP A 47 -8.743 20.910 -5.635 1.00 0.00 C ATOM 778 OD1 ASP A 47 -7.791 20.651 -6.399 1.00 0.00 O ATOM 779 OD2 ASP A 47 -8.787 20.489 -4.456 1.00 0.00 O ATOM 780 OXT ASP A 47 -11.749 22.870 -7.802 1.00 0.00 O ATOM 0 H ASP A 47 -10.494 20.367 -8.443 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.477 20.458 -5.663 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -9.506 22.327 -7.012 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.127 22.493 -5.382 1.00 0.00 H new TER 785 ASP A 47