USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=4 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 Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -84:sc= 0.795 USER MOD Single : A 9 TYR OH : rot 180:sc= 0.794 USER MOD Single : A 17 GLN : amide:sc= -0.559 K(o=-0.56,f=-1.3) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.0056) USER MOD Single : A 26 GLN : amide:sc= 0.137 K(o=0.14,f=-1.4) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 1.01 (180deg=0.463) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 12.891 10.542 3.466 1.00 0.00 N ATOM 2 CA PRO A 1 13.412 9.396 2.776 1.00 0.00 C ATOM 3 C PRO A 1 12.555 9.104 1.563 1.00 0.00 C ATOM 4 O PRO A 1 11.402 9.536 1.500 1.00 0.00 O ATOM 5 CB PRO A 1 13.414 8.221 3.736 1.00 0.00 C ATOM 6 CG PRO A 1 13.039 8.828 5.059 1.00 0.00 C ATOM 7 CD PRO A 1 13.101 10.341 4.891 1.00 0.00 C ATOM 0 H2 PRO A 1 11.898 10.659 3.265 1.00 0.00 H new ATOM 0 H3 PRO A 1 13.361 11.391 3.152 1.00 0.00 H new ATOM 0 HA PRO A 1 14.430 9.581 2.434 1.00 0.00 H new ATOM 0 HB2 PRO A 1 12.700 7.456 3.431 1.00 0.00 H new ATOM 0 HB3 PRO A 1 14.393 7.743 3.780 1.00 0.00 H new ATOM 0 HG2 PRO A 1 12.039 8.514 5.357 1.00 0.00 H new ATOM 0 HG3 PRO A 1 13.723 8.499 5.841 1.00 0.00 H new ATOM 0 HD2 PRO A 1 12.334 10.841 5.483 1.00 0.00 H new ATOM 0 HD3 PRO A 1 14.063 10.740 5.214 1.00 0.00 H new ATOM 17 N ARG A 2 13.126 8.367 0.612 1.00 0.00 N ATOM 18 CA ARG A 2 12.493 8.015 -0.664 1.00 0.00 C ATOM 19 C ARG A 2 12.275 9.249 -1.538 1.00 0.00 C ATOM 20 O ARG A 2 12.673 10.376 -1.184 1.00 0.00 O ATOM 21 CB ARG A 2 11.163 7.207 -0.516 1.00 0.00 C ATOM 22 CG ARG A 2 11.292 5.756 -0.029 1.00 0.00 C ATOM 23 CD ARG A 2 11.663 5.647 1.440 1.00 0.00 C ATOM 24 NE ARG A 2 10.661 6.283 2.311 1.00 0.00 N ATOM 25 CZ ARG A 2 10.543 6.082 3.627 1.00 0.00 C ATOM 26 NH1 ARG A 2 11.329 5.194 4.254 1.00 0.00 N ATOM 27 NH2 ARG A 2 9.630 6.760 4.307 1.00 0.00 N ATOM 0 H ARG A 2 14.067 7.986 0.707 1.00 0.00 H new ATOM 0 HA ARG A 2 13.200 7.348 -1.157 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.514 7.743 0.177 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.660 7.199 -1.483 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.348 5.238 -0.198 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.047 5.245 -0.626 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.764 4.596 1.711 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.634 6.114 1.604 1.00 0.00 H new ATOM 0 HE ARG A 2 10.004 6.929 1.875 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.024 4.666 3.726 1.00 0.00 H new ATOM 0 HH12 ARG A 2 11.232 5.047 5.259 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.027 7.427 3.826 1.00 0.00 H new ATOM 0 HH22 ARG A 2 9.531 6.615 5.312 1.00 0.00 H new ATOM 41 N GLY A 3 11.700 9.024 -2.681 1.00 0.00 N ATOM 42 CA GLY A 3 11.364 10.088 -3.574 1.00 0.00 C ATOM 43 C GLY A 3 9.935 9.958 -4.002 1.00 0.00 C ATOM 44 O GLY A 3 9.175 10.927 -3.997 1.00 0.00 O ATOM 0 H GLY A 3 11.451 8.095 -3.020 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.521 11.049 -3.084 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.018 10.064 -4.446 1.00 0.00 H new ATOM 48 N SER A 4 9.556 8.760 -4.339 1.00 0.00 N ATOM 49 CA SER A 4 8.226 8.475 -4.771 1.00 0.00 C ATOM 50 C SER A 4 7.407 7.908 -3.587 1.00 0.00 C ATOM 51 O SER A 4 7.758 6.855 -3.035 1.00 0.00 O ATOM 52 CB SER A 4 8.325 7.462 -5.901 1.00 0.00 C ATOM 53 OG SER A 4 9.272 7.907 -6.874 1.00 0.00 O ATOM 0 H SER A 4 10.171 7.947 -4.320 1.00 0.00 H new ATOM 0 HA SER A 4 7.721 9.375 -5.122 1.00 0.00 H new ATOM 0 HB2 SER A 4 8.626 6.492 -5.506 1.00 0.00 H new ATOM 0 HB3 SER A 4 7.349 7.327 -6.367 1.00 0.00 H new ATOM 0 HG SER A 4 9.331 7.249 -7.598 1.00 0.00 H new ATOM 59 N PRO A 5 6.317 8.597 -3.162 1.00 0.00 N ATOM 60 CA PRO A 5 5.470 8.166 -2.017 1.00 0.00 C ATOM 61 C PRO A 5 4.775 6.808 -2.242 1.00 0.00 C ATOM 62 O PRO A 5 4.281 6.191 -1.298 1.00 0.00 O ATOM 63 CB PRO A 5 4.431 9.285 -1.894 1.00 0.00 C ATOM 64 CG PRO A 5 4.418 9.928 -3.232 1.00 0.00 C ATOM 65 CD PRO A 5 5.827 9.868 -3.732 1.00 0.00 C ATOM 0 HA PRO A 5 6.071 8.016 -1.120 1.00 0.00 H new ATOM 0 HB2 PRO A 5 3.449 8.889 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 5 4.704 9.996 -1.114 1.00 0.00 H new ATOM 0 HG2 PRO A 5 3.741 9.407 -3.909 1.00 0.00 H new ATOM 0 HG3 PRO A 5 4.071 10.959 -3.166 1.00 0.00 H new ATOM 0 HD2 PRO A 5 5.871 9.867 -4.821 1.00 0.00 H new ATOM 0 HD3 PRO A 5 6.415 10.719 -3.390 1.00 0.00 H new ATOM 73 N ARG A 6 4.763 6.340 -3.494 1.00 0.00 N ATOM 74 CA ARG A 6 4.200 5.019 -3.852 1.00 0.00 C ATOM 75 C ARG A 6 4.936 3.886 -3.123 1.00 0.00 C ATOM 76 O ARG A 6 4.435 2.768 -3.022 1.00 0.00 O ATOM 77 CB ARG A 6 4.308 4.782 -5.352 1.00 0.00 C ATOM 78 CG ARG A 6 5.735 4.688 -5.847 1.00 0.00 C ATOM 79 CD ARG A 6 5.819 4.541 -7.344 1.00 0.00 C ATOM 80 NE ARG A 6 7.209 4.363 -7.761 1.00 0.00 N ATOM 81 CZ ARG A 6 7.852 5.117 -8.655 1.00 0.00 C ATOM 82 NH1 ARG A 6 7.207 6.086 -9.311 1.00 0.00 N ATOM 83 NH2 ARG A 6 9.139 4.886 -8.898 1.00 0.00 N ATOM 0 H ARG A 6 5.139 6.857 -4.289 1.00 0.00 H new ATOM 0 HA ARG A 6 3.153 5.020 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 6 3.783 3.861 -5.605 1.00 0.00 H new ATOM 0 HB3 ARG A 6 3.802 5.592 -5.877 1.00 0.00 H new ATOM 0 HG2 ARG A 6 6.281 5.580 -5.542 1.00 0.00 H new ATOM 0 HG3 ARG A 6 6.225 3.837 -5.374 1.00 0.00 H new ATOM 0 HD2 ARG A 6 5.224 3.687 -7.666 1.00 0.00 H new ATOM 0 HD3 ARG A 6 5.398 5.423 -7.827 1.00 0.00 H new ATOM 0 HE ARG A 6 7.731 3.598 -7.333 1.00 0.00 H new ATOM 0 HH11 ARG A 6 6.217 6.253 -9.130 1.00 0.00 H new ATOM 0 HH12 ARG A 6 7.704 6.659 -9.993 1.00 0.00 H new ATOM 0 HH21 ARG A 6 9.625 4.138 -8.403 1.00 0.00 H new ATOM 0 HH22 ARG A 6 9.640 5.456 -9.579 1.00 0.00 H new ATOM 97 N THR A 7 6.118 4.189 -2.637 1.00 0.00 N ATOM 98 CA THR A 7 6.926 3.243 -1.904 1.00 0.00 C ATOM 99 C THR A 7 6.215 2.747 -0.644 1.00 0.00 C ATOM 100 O THR A 7 6.406 1.610 -0.248 1.00 0.00 O ATOM 101 CB THR A 7 8.291 3.839 -1.553 1.00 0.00 C ATOM 102 OG1 THR A 7 8.108 5.147 -0.971 1.00 0.00 O ATOM 103 CG2 THR A 7 9.163 3.941 -2.790 1.00 0.00 C ATOM 0 H THR A 7 6.549 5.108 -2.741 1.00 0.00 H new ATOM 0 HA THR A 7 7.084 2.383 -2.555 1.00 0.00 H new ATOM 0 HB THR A 7 8.788 3.186 -0.835 1.00 0.00 H new ATOM 0 HG1 THR A 7 8.025 5.814 -1.684 1.00 0.00 H new ATOM 0 HG21 THR A 7 10.129 4.367 -2.520 1.00 0.00 H new ATOM 0 HG22 THR A 7 9.310 2.948 -3.214 1.00 0.00 H new ATOM 0 HG23 THR A 7 8.677 4.582 -3.526 1.00 0.00 H new ATOM 111 N GLU A 8 5.359 3.596 -0.061 1.00 0.00 N ATOM 112 CA GLU A 8 4.560 3.230 1.111 1.00 0.00 C ATOM 113 C GLU A 8 3.617 2.093 0.741 1.00 0.00 C ATOM 114 O GLU A 8 3.473 1.106 1.464 1.00 0.00 O ATOM 115 CB GLU A 8 3.739 4.431 1.565 1.00 0.00 C ATOM 116 CG GLU A 8 4.564 5.618 2.017 1.00 0.00 C ATOM 117 CD GLU A 8 5.387 5.311 3.233 1.00 0.00 C ATOM 118 OE1 GLU A 8 4.800 5.004 4.293 1.00 0.00 O ATOM 119 OE2 GLU A 8 6.636 5.428 3.176 1.00 0.00 O ATOM 0 H GLU A 8 5.203 4.550 -0.387 1.00 0.00 H new ATOM 0 HA GLU A 8 5.223 2.915 1.917 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.092 4.744 0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.089 4.123 2.384 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.222 5.930 1.206 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.902 6.457 2.232 1.00 0.00 H new ATOM 126 N TYR A 9 3.035 2.228 -0.429 1.00 0.00 N ATOM 127 CA TYR A 9 2.127 1.280 -0.984 1.00 0.00 C ATOM 128 C TYR A 9 2.851 -0.043 -1.241 1.00 0.00 C ATOM 129 O TYR A 9 2.365 -1.121 -0.878 1.00 0.00 O ATOM 130 CB TYR A 9 1.573 1.906 -2.272 1.00 0.00 C ATOM 131 CG TYR A 9 1.010 0.962 -3.270 1.00 0.00 C ATOM 132 CD1 TYR A 9 1.793 0.560 -4.319 1.00 0.00 C ATOM 133 CD2 TYR A 9 -0.271 0.470 -3.170 1.00 0.00 C ATOM 134 CE1 TYR A 9 1.332 -0.317 -5.253 1.00 0.00 C ATOM 135 CE2 TYR A 9 -0.757 -0.414 -4.109 1.00 0.00 C ATOM 136 CZ TYR A 9 0.052 -0.807 -5.148 1.00 0.00 C ATOM 137 OH TYR A 9 -0.403 -1.709 -6.072 1.00 0.00 O ATOM 0 H TYR A 9 3.194 3.034 -1.033 1.00 0.00 H new ATOM 0 HA TYR A 9 1.304 1.052 -0.306 1.00 0.00 H new ATOM 0 HB2 TYR A 9 0.796 2.620 -1.999 1.00 0.00 H new ATOM 0 HB3 TYR A 9 2.373 2.472 -2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 9 2.797 0.947 -4.407 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -0.901 0.779 -2.349 1.00 0.00 H new ATOM 0 HE1 TYR A 9 1.967 -0.625 -6.070 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -1.765 -0.794 -4.029 1.00 0.00 H new ATOM 0 HH TYR A 9 -1.326 -1.959 -5.858 1.00 0.00 H new ATOM 147 N GLU A 10 4.018 0.063 -1.847 1.00 0.00 N ATOM 148 CA GLU A 10 4.848 -1.080 -2.155 1.00 0.00 C ATOM 149 C GLU A 10 5.321 -1.782 -0.870 1.00 0.00 C ATOM 150 O GLU A 10 5.251 -3.011 -0.762 1.00 0.00 O ATOM 151 CB GLU A 10 6.039 -0.629 -2.980 1.00 0.00 C ATOM 152 CG GLU A 10 6.927 -1.754 -3.435 1.00 0.00 C ATOM 153 CD GLU A 10 8.113 -1.261 -4.194 1.00 0.00 C ATOM 154 OE1 GLU A 10 9.221 -1.219 -3.618 1.00 0.00 O ATOM 155 OE2 GLU A 10 7.972 -0.908 -5.373 1.00 0.00 O ATOM 0 H GLU A 10 4.418 0.954 -2.141 1.00 0.00 H new ATOM 0 HA GLU A 10 4.260 -1.797 -2.728 1.00 0.00 H new ATOM 0 HB2 GLU A 10 5.678 -0.088 -3.855 1.00 0.00 H new ATOM 0 HB3 GLU A 10 6.631 0.073 -2.392 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.263 -2.323 -2.568 1.00 0.00 H new ATOM 0 HG3 GLU A 10 6.354 -2.437 -4.062 1.00 0.00 H new ATOM 162 N ALA A 11 5.764 -0.990 0.102 1.00 0.00 N ATOM 163 CA ALA A 11 6.253 -1.497 1.380 1.00 0.00 C ATOM 164 C ALA A 11 5.154 -2.245 2.112 1.00 0.00 C ATOM 165 O ALA A 11 5.389 -3.284 2.730 1.00 0.00 O ATOM 166 CB ALA A 11 6.776 -0.356 2.243 1.00 0.00 C ATOM 0 H ALA A 11 5.794 0.027 0.025 1.00 0.00 H new ATOM 0 HA ALA A 11 7.072 -2.188 1.182 1.00 0.00 H new ATOM 0 HB1 ALA A 11 7.136 -0.753 3.192 1.00 0.00 H new ATOM 0 HB2 ALA A 11 7.594 0.146 1.726 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.973 0.357 2.430 1.00 0.00 H new ATOM 172 N CYS A 12 3.959 -1.728 2.019 1.00 0.00 N ATOM 173 CA CYS A 12 2.805 -2.341 2.629 1.00 0.00 C ATOM 174 C CYS A 12 2.493 -3.696 1.928 1.00 0.00 C ATOM 175 O CYS A 12 2.191 -4.702 2.587 1.00 0.00 O ATOM 176 CB CYS A 12 1.628 -1.359 2.545 1.00 0.00 C ATOM 177 SG CYS A 12 0.125 -1.852 3.443 1.00 0.00 S ATOM 0 H CYS A 12 3.755 -0.865 1.516 1.00 0.00 H new ATOM 0 HA CYS A 12 2.994 -2.561 3.680 1.00 0.00 H new ATOM 0 HB2 CYS A 12 1.957 -0.393 2.927 1.00 0.00 H new ATOM 0 HB3 CYS A 12 1.372 -1.216 1.495 1.00 0.00 H new ATOM 182 N ARG A 13 2.645 -3.726 0.598 1.00 0.00 N ATOM 183 CA ARG A 13 2.426 -4.944 -0.194 1.00 0.00 C ATOM 184 C ARG A 13 3.423 -6.041 0.173 1.00 0.00 C ATOM 185 O ARG A 13 3.029 -7.181 0.466 1.00 0.00 O ATOM 186 CB ARG A 13 2.535 -4.652 -1.697 1.00 0.00 C ATOM 187 CG ARG A 13 1.365 -3.890 -2.292 1.00 0.00 C ATOM 188 CD ARG A 13 1.647 -3.474 -3.736 1.00 0.00 C ATOM 189 NE ARG A 13 2.052 -4.596 -4.594 1.00 0.00 N ATOM 190 CZ ARG A 13 2.056 -4.595 -5.946 1.00 0.00 C ATOM 191 NH1 ARG A 13 1.509 -3.598 -6.643 1.00 0.00 N ATOM 192 NH2 ARG A 13 2.564 -5.630 -6.586 1.00 0.00 N ATOM 0 H ARG A 13 2.921 -2.915 0.044 1.00 0.00 H new ATOM 0 HA ARG A 13 1.419 -5.291 0.037 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.447 -4.083 -1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.640 -5.598 -2.228 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.470 -4.511 -2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.161 -3.005 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG A 13 0.754 -3.009 -4.154 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.432 -2.718 -3.743 1.00 0.00 H new ATOM 0 HE ARG A 13 2.357 -5.451 -4.129 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.075 -2.814 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.525 -3.620 -7.663 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.947 -6.416 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.574 -5.644 -7.606 1.00 0.00 H new ATOM 206 N VAL A 14 4.701 -5.690 0.187 1.00 0.00 N ATOM 207 CA VAL A 14 5.768 -6.655 0.455 1.00 0.00 C ATOM 208 C VAL A 14 5.755 -7.109 1.918 1.00 0.00 C ATOM 209 O VAL A 14 6.197 -8.218 2.256 1.00 0.00 O ATOM 210 CB VAL A 14 7.150 -6.084 0.062 1.00 0.00 C ATOM 211 CG1 VAL A 14 7.595 -4.945 0.961 1.00 0.00 C ATOM 212 CG2 VAL A 14 8.207 -7.171 -0.066 1.00 0.00 C ATOM 0 H VAL A 14 5.030 -4.740 0.015 1.00 0.00 H new ATOM 0 HA VAL A 14 5.581 -7.532 -0.165 1.00 0.00 H new ATOM 0 HB VAL A 14 7.028 -5.650 -0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 14 8.571 -4.585 0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 14 6.871 -4.132 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 14 7.662 -5.299 1.990 1.00 0.00 H new ATOM 0 HG21 VAL A 14 9.160 -6.721 -0.343 1.00 0.00 H new ATOM 0 HG22 VAL A 14 8.314 -7.689 0.887 1.00 0.00 H new ATOM 0 HG23 VAL A 14 7.905 -7.883 -0.834 1.00 0.00 H new ATOM 222 N ARG A 15 5.250 -6.250 2.770 1.00 0.00 N ATOM 223 CA ARG A 15 5.057 -6.585 4.180 1.00 0.00 C ATOM 224 C ARG A 15 4.107 -7.773 4.256 1.00 0.00 C ATOM 225 O ARG A 15 4.370 -8.764 4.932 1.00 0.00 O ATOM 226 CB ARG A 15 4.442 -5.411 4.939 1.00 0.00 C ATOM 227 CG ARG A 15 4.380 -5.609 6.449 1.00 0.00 C ATOM 228 CD ARG A 15 3.547 -4.528 7.103 1.00 0.00 C ATOM 229 NE ARG A 15 2.134 -4.647 6.731 1.00 0.00 N ATOM 230 CZ ARG A 15 1.342 -3.646 6.323 1.00 0.00 C ATOM 231 NH1 ARG A 15 1.815 -2.399 6.213 1.00 0.00 N ATOM 232 NH2 ARG A 15 0.074 -3.893 6.043 1.00 0.00 N ATOM 0 H ARG A 15 4.960 -5.305 2.519 1.00 0.00 H new ATOM 0 HA ARG A 15 6.021 -6.820 4.630 1.00 0.00 H new ATOM 0 HB2 ARG A 15 5.019 -4.512 4.725 1.00 0.00 H new ATOM 0 HB3 ARG A 15 3.433 -5.239 4.564 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.955 -6.587 6.674 1.00 0.00 H new ATOM 0 HG3 ARG A 15 5.388 -5.597 6.863 1.00 0.00 H new ATOM 0 HD2 ARG A 15 3.647 -4.594 8.186 1.00 0.00 H new ATOM 0 HD3 ARG A 15 3.922 -3.548 6.808 1.00 0.00 H new ATOM 0 HE ARG A 15 1.716 -5.576 6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 15 2.789 -2.201 6.441 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.201 -1.646 5.901 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.294 -4.839 6.138 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -0.536 -3.137 5.732 1.00 0.00 H new ATOM 246 N CYS A 16 3.030 -7.688 3.504 1.00 0.00 N ATOM 247 CA CYS A 16 2.059 -8.753 3.433 1.00 0.00 C ATOM 248 C CYS A 16 2.595 -9.989 2.725 1.00 0.00 C ATOM 249 O CYS A 16 2.104 -11.081 2.951 1.00 0.00 O ATOM 250 CB CYS A 16 0.769 -8.280 2.795 1.00 0.00 C ATOM 251 SG CYS A 16 -0.195 -7.135 3.827 1.00 0.00 S ATOM 0 H CYS A 16 2.805 -6.878 2.926 1.00 0.00 H new ATOM 0 HA CYS A 16 1.846 -9.046 4.461 1.00 0.00 H new ATOM 0 HB2 CYS A 16 1.002 -7.791 1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.152 -9.148 2.561 1.00 0.00 H new ATOM 256 N GLN A 17 3.604 -9.821 1.892 1.00 0.00 N ATOM 257 CA GLN A 17 4.216 -10.949 1.202 1.00 0.00 C ATOM 258 C GLN A 17 4.901 -11.857 2.225 1.00 0.00 C ATOM 259 O GLN A 17 4.802 -13.082 2.154 1.00 0.00 O ATOM 260 CB GLN A 17 5.211 -10.438 0.122 1.00 0.00 C ATOM 261 CG GLN A 17 5.809 -11.497 -0.831 1.00 0.00 C ATOM 262 CD GLN A 17 6.861 -12.415 -0.214 1.00 0.00 C ATOM 263 OE1 GLN A 17 7.589 -12.035 0.700 1.00 0.00 O ATOM 264 NE2 GLN A 17 6.949 -13.618 -0.704 1.00 0.00 N ATOM 0 H GLN A 17 4.020 -8.916 1.674 1.00 0.00 H new ATOM 0 HA GLN A 17 3.451 -11.532 0.689 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.701 -9.687 -0.482 1.00 0.00 H new ATOM 0 HB3 GLN A 17 6.034 -9.934 0.629 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.997 -12.112 -1.218 1.00 0.00 H new ATOM 0 HG3 GLN A 17 6.254 -10.984 -1.683 1.00 0.00 H new ATOM 0 HE21 GLN A 17 6.331 -13.906 -1.463 1.00 0.00 H new ATOM 0 HE22 GLN A 17 7.636 -14.272 -0.329 1.00 0.00 H new ATOM 273 N VAL A 18 5.577 -11.256 3.182 1.00 0.00 N ATOM 274 CA VAL A 18 6.283 -12.033 4.181 1.00 0.00 C ATOM 275 C VAL A 18 5.385 -12.395 5.390 1.00 0.00 C ATOM 276 O VAL A 18 5.473 -13.505 5.934 1.00 0.00 O ATOM 277 CB VAL A 18 7.621 -11.346 4.630 1.00 0.00 C ATOM 278 CG1 VAL A 18 7.389 -9.994 5.290 1.00 0.00 C ATOM 279 CG2 VAL A 18 8.447 -12.263 5.530 1.00 0.00 C ATOM 0 H VAL A 18 5.653 -10.245 3.290 1.00 0.00 H new ATOM 0 HA VAL A 18 6.556 -12.973 3.702 1.00 0.00 H new ATOM 0 HB VAL A 18 8.194 -11.161 3.721 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.347 -9.562 5.581 1.00 0.00 H new ATOM 0 HG12 VAL A 18 6.889 -9.327 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 18 6.765 -10.123 6.174 1.00 0.00 H new ATOM 0 HG21 VAL A 18 9.366 -11.755 5.822 1.00 0.00 H new ATOM 0 HG22 VAL A 18 7.872 -12.512 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 18 8.693 -13.177 4.990 1.00 0.00 H new ATOM 289 N ALA A 19 4.506 -11.483 5.776 1.00 0.00 N ATOM 290 CA ALA A 19 3.655 -11.677 6.948 1.00 0.00 C ATOM 291 C ALA A 19 2.384 -12.472 6.634 1.00 0.00 C ATOM 292 O ALA A 19 2.128 -13.517 7.244 1.00 0.00 O ATOM 293 CB ALA A 19 3.306 -10.336 7.576 1.00 0.00 C ATOM 0 H ALA A 19 4.360 -10.596 5.294 1.00 0.00 H new ATOM 0 HA ALA A 19 4.227 -12.271 7.661 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.672 -10.497 8.448 1.00 0.00 H new ATOM 0 HB2 ALA A 19 4.221 -9.828 7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 19 2.775 -9.721 6.849 1.00 0.00 H new ATOM 299 N GLU A 20 1.606 -11.994 5.686 1.00 0.00 N ATOM 300 CA GLU A 20 0.338 -12.629 5.341 1.00 0.00 C ATOM 301 C GLU A 20 0.598 -13.889 4.547 1.00 0.00 C ATOM 302 O GLU A 20 0.175 -14.981 4.945 1.00 0.00 O ATOM 303 CB GLU A 20 -0.531 -11.677 4.525 1.00 0.00 C ATOM 304 CG GLU A 20 -0.881 -10.385 5.230 1.00 0.00 C ATOM 305 CD GLU A 20 -1.831 -10.576 6.371 1.00 0.00 C ATOM 306 OE1 GLU A 20 -1.396 -10.910 7.479 1.00 0.00 O ATOM 307 OE2 GLU A 20 -3.039 -10.351 6.183 1.00 0.00 O ATOM 0 H GLU A 20 1.825 -11.164 5.135 1.00 0.00 H new ATOM 0 HA GLU A 20 -0.189 -12.881 6.261 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.014 -11.440 3.595 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -1.454 -12.190 4.254 1.00 0.00 H new ATOM 0 HG2 GLU A 20 0.033 -9.921 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -1.321 -9.694 4.511 1.00 0.00 H new ATOM 314 N HIS A 21 1.304 -13.715 3.433 1.00 0.00 N ATOM 315 CA HIS A 21 1.724 -14.785 2.541 1.00 0.00 C ATOM 316 C HIS A 21 0.540 -15.627 2.020 1.00 0.00 C ATOM 317 O HIS A 21 0.047 -16.540 2.694 1.00 0.00 O ATOM 318 CB HIS A 21 2.808 -15.651 3.213 1.00 0.00 C ATOM 319 CG HIS A 21 3.368 -16.738 2.353 1.00 0.00 C ATOM 320 ND1 HIS A 21 3.418 -18.054 2.731 1.00 0.00 N ATOM 321 CD2 HIS A 21 3.947 -16.678 1.132 1.00 0.00 C ATOM 322 CE1 HIS A 21 4.010 -18.744 1.765 1.00 0.00 C ATOM 323 NE2 HIS A 21 4.356 -17.956 0.760 1.00 0.00 N ATOM 0 H HIS A 21 1.608 -12.794 3.118 1.00 0.00 H new ATOM 0 HA HIS A 21 2.162 -14.323 1.657 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.624 -15.003 3.532 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.388 -16.100 4.113 1.00 0.00 H new ATOM 0 HD2 HIS A 21 4.072 -15.783 0.541 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.186 -19.809 1.795 1.00 0.00 H new ATOM 0 HE2 HIS A 21 4.824 -18.227 -0.105 1.00 0.00 H new ATOM 331 N GLY A 22 0.075 -15.292 0.849 1.00 0.00 N ATOM 332 CA GLY A 22 -1.003 -16.017 0.231 1.00 0.00 C ATOM 333 C GLY A 22 -1.579 -15.213 -0.889 1.00 0.00 C ATOM 334 O GLY A 22 -1.537 -13.996 -0.834 1.00 0.00 O ATOM 0 H GLY A 22 0.430 -14.512 0.296 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.641 -16.974 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.776 -16.236 0.968 1.00 0.00 H new ATOM 338 N VAL A 23 -2.147 -15.873 -1.877 1.00 0.00 N ATOM 339 CA VAL A 23 -2.670 -15.197 -3.071 1.00 0.00 C ATOM 340 C VAL A 23 -3.779 -14.204 -2.723 1.00 0.00 C ATOM 341 O VAL A 23 -3.677 -13.008 -3.026 1.00 0.00 O ATOM 342 CB VAL A 23 -3.172 -16.211 -4.133 1.00 0.00 C ATOM 343 CG1 VAL A 23 -3.745 -15.494 -5.350 1.00 0.00 C ATOM 344 CG2 VAL A 23 -2.045 -17.145 -4.553 1.00 0.00 C ATOM 0 H VAL A 23 -2.264 -16.886 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 23 -1.837 -14.639 -3.499 1.00 0.00 H new ATOM 0 HB VAL A 23 -3.969 -16.802 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -4.089 -16.230 -6.077 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.583 -14.868 -5.043 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -2.973 -14.870 -5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.415 -17.849 -5.298 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -1.229 -16.562 -4.979 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.684 -17.693 -3.683 1.00 0.00 H new ATOM 354 N GLU A 24 -4.809 -14.686 -2.040 1.00 0.00 N ATOM 355 CA GLU A 24 -5.934 -13.833 -1.669 1.00 0.00 C ATOM 356 C GLU A 24 -5.509 -12.796 -0.626 1.00 0.00 C ATOM 357 O GLU A 24 -6.132 -11.749 -0.481 1.00 0.00 O ATOM 358 CB GLU A 24 -7.124 -14.653 -1.153 1.00 0.00 C ATOM 359 CG GLU A 24 -6.870 -15.405 0.145 1.00 0.00 C ATOM 360 CD GLU A 24 -8.098 -16.126 0.629 1.00 0.00 C ATOM 361 OE1 GLU A 24 -8.125 -17.370 0.603 1.00 0.00 O ATOM 362 OE2 GLU A 24 -9.073 -15.466 1.016 1.00 0.00 O ATOM 0 H GLU A 24 -4.890 -15.655 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.256 -13.312 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.972 -13.984 -1.008 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -7.412 -15.371 -1.921 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.063 -16.123 -0.004 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -6.536 -14.704 0.910 1.00 0.00 H new ATOM 369 N ARG A 25 -4.444 -13.106 0.089 1.00 0.00 N ATOM 370 CA ARG A 25 -3.929 -12.237 1.131 1.00 0.00 C ATOM 371 C ARG A 25 -3.166 -11.087 0.500 1.00 0.00 C ATOM 372 O ARG A 25 -3.313 -9.928 0.902 1.00 0.00 O ATOM 373 CB ARG A 25 -3.009 -13.019 2.072 1.00 0.00 C ATOM 374 CG ARG A 25 -3.642 -14.262 2.680 1.00 0.00 C ATOM 375 CD ARG A 25 -4.869 -13.917 3.498 1.00 0.00 C ATOM 376 NE ARG A 25 -5.547 -15.104 4.001 1.00 0.00 N ATOM 377 CZ ARG A 25 -6.681 -15.098 4.711 1.00 0.00 C ATOM 378 NH1 ARG A 25 -7.271 -13.947 5.030 1.00 0.00 N ATOM 379 NH2 ARG A 25 -7.223 -16.238 5.089 1.00 0.00 N ATOM 0 H ARG A 25 -3.911 -13.967 -0.036 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.765 -11.844 1.710 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.114 -13.313 1.524 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -2.687 -12.359 2.877 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.916 -14.957 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.914 -14.771 3.312 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -4.578 -13.284 4.336 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -5.560 -13.338 2.886 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.125 -16.010 3.796 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -6.858 -13.063 4.733 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.135 -13.950 5.571 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.778 -17.121 4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.087 -16.237 5.630 1.00 0.00 H new ATOM 393 N GLN A 26 -2.372 -11.421 -0.502 1.00 0.00 N ATOM 394 CA GLN A 26 -1.585 -10.462 -1.240 1.00 0.00 C ATOM 395 C GLN A 26 -2.516 -9.509 -1.962 1.00 0.00 C ATOM 396 O GLN A 26 -2.342 -8.294 -1.888 1.00 0.00 O ATOM 397 CB GLN A 26 -0.695 -11.189 -2.247 1.00 0.00 C ATOM 398 CG GLN A 26 0.346 -10.316 -2.927 1.00 0.00 C ATOM 399 CD GLN A 26 1.331 -9.713 -1.948 1.00 0.00 C ATOM 400 OE1 GLN A 26 2.358 -10.311 -1.636 1.00 0.00 O ATOM 401 NE2 GLN A 26 1.053 -8.520 -1.482 1.00 0.00 N ATOM 0 H GLN A 26 -2.258 -12.381 -0.827 1.00 0.00 H new ATOM 0 HA GLN A 26 -0.951 -9.900 -0.554 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.185 -12.006 -1.736 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.328 -11.637 -3.013 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.888 -10.910 -3.663 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.156 -9.516 -3.471 1.00 0.00 H new ATOM 0 HE21 GLN A 26 0.191 -8.051 -1.762 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.698 -8.060 -0.840 1.00 0.00 H new ATOM 410 N ARG A 27 -3.524 -10.078 -2.623 1.00 0.00 N ATOM 411 CA ARG A 27 -4.547 -9.313 -3.334 1.00 0.00 C ATOM 412 C ARG A 27 -5.268 -8.368 -2.373 1.00 0.00 C ATOM 413 O ARG A 27 -5.462 -7.184 -2.680 1.00 0.00 O ATOM 414 CB ARG A 27 -5.552 -10.266 -3.982 1.00 0.00 C ATOM 415 CG ARG A 27 -6.664 -9.578 -4.762 1.00 0.00 C ATOM 416 CD ARG A 27 -7.636 -10.595 -5.333 1.00 0.00 C ATOM 417 NE ARG A 27 -6.977 -11.520 -6.266 1.00 0.00 N ATOM 418 CZ ARG A 27 -7.067 -12.860 -6.231 1.00 0.00 C ATOM 419 NH1 ARG A 27 -7.799 -13.468 -5.295 1.00 0.00 N ATOM 420 NH2 ARG A 27 -6.420 -13.586 -7.131 1.00 0.00 N ATOM 0 H ARG A 27 -3.654 -11.088 -2.680 1.00 0.00 H new ATOM 0 HA ARG A 27 -4.065 -8.719 -4.111 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -5.016 -10.937 -4.654 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -6.000 -10.884 -3.204 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -7.197 -8.886 -4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -6.234 -8.986 -5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -8.088 -11.162 -4.519 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.444 -10.075 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.403 -11.110 -7.002 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.297 -12.915 -4.597 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -7.861 -14.486 -5.277 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -5.856 -13.127 -7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.486 -14.604 -7.108 1.00 0.00 H new ATOM 434 N ARG A 28 -5.634 -8.894 -1.197 1.00 0.00 N ATOM 435 CA ARG A 28 -6.302 -8.106 -0.172 1.00 0.00 C ATOM 436 C ARG A 28 -5.444 -6.918 0.205 1.00 0.00 C ATOM 437 O ARG A 28 -5.887 -5.777 0.121 1.00 0.00 O ATOM 438 CB ARG A 28 -6.581 -8.940 1.082 1.00 0.00 C ATOM 439 CG ARG A 28 -7.306 -8.168 2.185 1.00 0.00 C ATOM 440 CD ARG A 28 -8.704 -7.754 1.752 1.00 0.00 C ATOM 441 NE ARG A 28 -9.570 -8.912 1.526 1.00 0.00 N ATOM 442 CZ ARG A 28 -10.844 -8.858 1.132 1.00 0.00 C ATOM 443 NH1 ARG A 28 -11.387 -7.702 0.778 1.00 0.00 N ATOM 444 NH2 ARG A 28 -11.554 -9.974 1.055 1.00 0.00 N ATOM 0 H ARG A 28 -5.474 -9.868 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.253 -7.767 -0.582 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -7.179 -9.808 0.805 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.636 -9.316 1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.370 -8.786 3.081 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -6.729 -7.282 2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -9.146 -7.114 2.515 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -8.641 -7.164 0.838 1.00 0.00 H new ATOM 0 HE ARG A 28 -9.167 -9.836 1.682 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -10.831 -6.847 0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.361 -7.667 0.478 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -11.126 -10.868 1.296 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.528 -9.939 0.755 1.00 0.00 H new ATOM 458 N CYS A 29 -4.207 -7.193 0.587 1.00 0.00 N ATOM 459 CA CYS A 29 -3.284 -6.154 0.962 1.00 0.00 C ATOM 460 C CYS A 29 -3.031 -5.188 -0.161 1.00 0.00 C ATOM 461 O CYS A 29 -2.894 -4.022 0.074 1.00 0.00 O ATOM 462 CB CYS A 29 -1.980 -6.719 1.476 1.00 0.00 C ATOM 463 SG CYS A 29 -2.073 -7.427 3.142 1.00 0.00 S ATOM 0 H CYS A 29 -3.825 -8.137 0.643 1.00 0.00 H new ATOM 0 HA CYS A 29 -3.758 -5.603 1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -1.635 -7.489 0.786 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -1.229 -5.929 1.472 1.00 0.00 H new ATOM 468 N GLN A 30 -3.005 -5.669 -1.379 1.00 0.00 N ATOM 469 CA GLN A 30 -2.800 -4.809 -2.521 1.00 0.00 C ATOM 470 C GLN A 30 -3.892 -3.737 -2.599 1.00 0.00 C ATOM 471 O GLN A 30 -3.593 -2.560 -2.772 1.00 0.00 O ATOM 472 CB GLN A 30 -2.719 -5.639 -3.793 1.00 0.00 C ATOM 473 CG GLN A 30 -2.551 -4.837 -5.055 1.00 0.00 C ATOM 474 CD GLN A 30 -2.258 -5.714 -6.236 1.00 0.00 C ATOM 475 OE1 GLN A 30 -1.092 -5.973 -6.554 1.00 0.00 O ATOM 476 NE2 GLN A 30 -3.276 -6.181 -6.887 1.00 0.00 N ATOM 0 H GLN A 30 -3.124 -6.656 -1.607 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.851 -4.286 -2.407 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.883 -6.333 -3.705 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -3.625 -6.239 -3.878 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.458 -4.263 -5.244 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -1.741 -4.120 -4.925 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -4.223 -5.943 -6.592 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.131 -6.787 -7.695 1.00 0.00 H new ATOM 485 N GLN A 31 -5.136 -4.142 -2.392 1.00 0.00 N ATOM 486 CA GLN A 31 -6.256 -3.217 -2.411 1.00 0.00 C ATOM 487 C GLN A 31 -6.241 -2.324 -1.153 1.00 0.00 C ATOM 488 O GLN A 31 -6.417 -1.102 -1.235 1.00 0.00 O ATOM 489 CB GLN A 31 -7.576 -3.981 -2.485 1.00 0.00 C ATOM 490 CG GLN A 31 -8.799 -3.088 -2.632 1.00 0.00 C ATOM 491 CD GLN A 31 -10.092 -3.853 -2.565 1.00 0.00 C ATOM 492 OE1 GLN A 31 -10.154 -5.019 -2.928 1.00 0.00 O ATOM 493 NE2 GLN A 31 -11.133 -3.215 -2.089 1.00 0.00 N ATOM 0 H GLN A 31 -5.395 -5.111 -2.208 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.161 -2.585 -3.294 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -7.538 -4.670 -3.328 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.686 -4.585 -1.584 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -8.788 -2.333 -1.846 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -8.744 -2.559 -3.583 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.045 -2.242 -1.796 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.032 -3.691 -2.012 1.00 0.00 H new ATOM 502 N VAL A 32 -6.015 -2.937 0.001 1.00 0.00 N ATOM 503 CA VAL A 32 -6.000 -2.217 1.280 1.00 0.00 C ATOM 504 C VAL A 32 -4.844 -1.212 1.341 1.00 0.00 C ATOM 505 O VAL A 32 -5.021 -0.062 1.735 1.00 0.00 O ATOM 506 CB VAL A 32 -5.941 -3.198 2.491 1.00 0.00 C ATOM 507 CG1 VAL A 32 -5.851 -2.448 3.817 1.00 0.00 C ATOM 508 CG2 VAL A 32 -7.167 -4.095 2.487 1.00 0.00 C ATOM 0 H VAL A 32 -5.838 -3.938 0.084 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.936 -1.662 1.346 1.00 0.00 H new ATOM 0 HB VAL A 32 -5.041 -3.805 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -5.812 -3.164 4.638 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -4.950 -1.834 3.827 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -6.727 -1.809 3.934 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -7.121 -4.778 3.335 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.066 -3.483 2.563 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.195 -4.668 1.560 1.00 0.00 H new ATOM 518 N CYS A 33 -3.687 -1.623 0.900 1.00 0.00 N ATOM 519 CA CYS A 33 -2.530 -0.756 0.896 1.00 0.00 C ATOM 520 C CYS A 33 -2.657 0.315 -0.170 1.00 0.00 C ATOM 521 O CYS A 33 -2.029 1.359 -0.080 1.00 0.00 O ATOM 522 CB CYS A 33 -1.237 -1.551 0.737 1.00 0.00 C ATOM 523 SG CYS A 33 -0.983 -2.803 2.051 1.00 0.00 S ATOM 0 H CYS A 33 -3.515 -2.560 0.535 1.00 0.00 H new ATOM 0 HA CYS A 33 -2.486 -0.257 1.864 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -1.243 -2.049 -0.232 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -0.393 -0.861 0.736 1.00 0.00 H new ATOM 528 N GLU A 34 -3.499 0.069 -1.161 1.00 0.00 N ATOM 529 CA GLU A 34 -3.765 1.056 -2.180 1.00 0.00 C ATOM 530 C GLU A 34 -4.736 2.088 -1.610 1.00 0.00 C ATOM 531 O GLU A 34 -4.659 3.266 -1.923 1.00 0.00 O ATOM 532 CB GLU A 34 -4.310 0.389 -3.442 1.00 0.00 C ATOM 533 CG GLU A 34 -4.389 1.291 -4.655 1.00 0.00 C ATOM 534 CD GLU A 34 -4.685 0.515 -5.907 1.00 0.00 C ATOM 535 OE1 GLU A 34 -3.768 0.326 -6.740 1.00 0.00 O ATOM 536 OE2 GLU A 34 -5.827 0.051 -6.073 1.00 0.00 O ATOM 0 H GLU A 34 -4.007 -0.808 -1.276 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.844 1.563 -2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -3.680 -0.467 -3.684 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.306 0.002 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.164 2.042 -4.500 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -3.447 1.826 -4.773 1.00 0.00 H new ATOM 543 N LYS A 35 -5.610 1.635 -0.713 1.00 0.00 N ATOM 544 CA LYS A 35 -6.524 2.523 -0.001 1.00 0.00 C ATOM 545 C LYS A 35 -5.683 3.396 0.935 1.00 0.00 C ATOM 546 O LYS A 35 -5.931 4.585 1.086 1.00 0.00 O ATOM 547 CB LYS A 35 -7.548 1.698 0.810 1.00 0.00 C ATOM 548 CG LYS A 35 -9.015 2.132 0.654 1.00 0.00 C ATOM 549 CD LYS A 35 -9.308 3.542 1.162 1.00 0.00 C ATOM 550 CE LYS A 35 -9.187 3.648 2.673 1.00 0.00 C ATOM 551 NZ LYS A 35 -9.545 4.997 3.168 1.00 0.00 N ATOM 0 H LYS A 35 -5.704 0.651 -0.462 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.080 3.144 -0.704 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.463 0.652 0.514 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -7.280 1.754 1.865 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.290 2.073 -0.399 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.650 1.426 1.189 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -8.618 4.245 0.694 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.314 3.833 0.859 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.835 2.907 3.141 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.166 3.412 2.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.243 5.095 4.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -9.069 5.717 2.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.575 5.128 3.106 1.00 0.00 H new ATOM 565 N ARG A 36 -4.664 2.776 1.530 1.00 0.00 N ATOM 566 CA ARG A 36 -3.694 3.464 2.387 1.00 0.00 C ATOM 567 C ARG A 36 -2.896 4.487 1.585 1.00 0.00 C ATOM 568 O ARG A 36 -2.649 5.603 2.044 1.00 0.00 O ATOM 569 CB ARG A 36 -2.749 2.459 3.058 1.00 0.00 C ATOM 570 CG ARG A 36 -3.431 1.568 4.085 1.00 0.00 C ATOM 571 CD ARG A 36 -2.498 0.506 4.641 1.00 0.00 C ATOM 572 NE ARG A 36 -1.258 1.059 5.218 1.00 0.00 N ATOM 573 CZ ARG A 36 -0.599 0.542 6.261 1.00 0.00 C ATOM 574 NH1 ARG A 36 -1.074 -0.528 6.894 1.00 0.00 N ATOM 575 NH2 ARG A 36 0.550 1.087 6.651 1.00 0.00 N ATOM 0 H ARG A 36 -4.486 1.777 1.431 1.00 0.00 H new ATOM 0 HA ARG A 36 -4.247 3.989 3.166 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -2.296 1.832 2.290 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -1.939 3.004 3.544 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.806 2.183 4.903 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.294 1.085 3.627 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.024 -0.064 5.407 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.240 -0.193 3.845 1.00 0.00 H new ATOM 0 HE ARG A 36 -0.873 1.900 4.789 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -1.945 -0.959 6.584 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -0.567 -0.917 7.689 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.925 1.896 6.155 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.056 0.696 7.446 1.00 0.00 H new ATOM 589 N LEU A 37 -2.511 4.102 0.384 1.00 0.00 N ATOM 590 CA LEU A 37 -1.799 4.973 -0.540 1.00 0.00 C ATOM 591 C LEU A 37 -2.705 6.135 -0.941 1.00 0.00 C ATOM 592 O LEU A 37 -2.264 7.279 -1.039 1.00 0.00 O ATOM 593 CB LEU A 37 -1.337 4.135 -1.761 1.00 0.00 C ATOM 594 CG LEU A 37 -0.440 4.793 -2.852 1.00 0.00 C ATOM 595 CD1 LEU A 37 -1.242 5.653 -3.812 1.00 0.00 C ATOM 596 CD2 LEU A 37 0.691 5.605 -2.222 1.00 0.00 C ATOM 0 H LEU A 37 -2.684 3.167 0.015 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.912 5.400 -0.071 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.800 3.268 -1.377 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.232 3.761 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.002 3.979 -3.430 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -0.574 6.090 -4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -1.989 5.038 -4.314 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.740 6.449 -3.258 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.300 6.052 -3.008 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.269 6.393 -1.598 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.312 4.950 -1.610 1.00 0.00 H new ATOM 608 N ARG A 38 -3.977 5.831 -1.118 1.00 0.00 N ATOM 609 CA ARG A 38 -4.990 6.816 -1.454 1.00 0.00 C ATOM 610 C ARG A 38 -5.141 7.828 -0.305 1.00 0.00 C ATOM 611 O ARG A 38 -5.492 8.985 -0.523 1.00 0.00 O ATOM 612 CB ARG A 38 -6.316 6.109 -1.762 1.00 0.00 C ATOM 613 CG ARG A 38 -7.420 7.006 -2.280 1.00 0.00 C ATOM 614 CD ARG A 38 -8.649 6.194 -2.638 1.00 0.00 C ATOM 615 NE ARG A 38 -9.713 7.026 -3.201 1.00 0.00 N ATOM 616 CZ ARG A 38 -10.867 6.576 -3.693 1.00 0.00 C ATOM 617 NH1 ARG A 38 -11.159 5.276 -3.666 1.00 0.00 N ATOM 618 NH2 ARG A 38 -11.736 7.430 -4.204 1.00 0.00 N ATOM 0 H ARG A 38 -4.341 4.882 -1.032 1.00 0.00 H new ATOM 0 HA ARG A 38 -4.686 7.367 -2.344 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -6.130 5.327 -2.498 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -6.666 5.616 -0.855 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -7.676 7.748 -1.524 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.071 7.551 -3.157 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -8.376 5.421 -3.356 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -9.019 5.686 -1.748 1.00 0.00 H new ATOM 0 HE ARG A 38 -9.559 8.034 -3.218 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -10.496 4.613 -3.265 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.046 4.944 -4.046 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -11.522 8.427 -4.220 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -12.621 7.092 -4.582 1.00 0.00 H new ATOM 632 N GLU A 39 -4.868 7.387 0.911 1.00 0.00 N ATOM 633 CA GLU A 39 -4.850 8.283 2.066 1.00 0.00 C ATOM 634 C GLU A 39 -3.574 9.110 2.034 1.00 0.00 C ATOM 635 O GLU A 39 -3.607 10.335 2.155 1.00 0.00 O ATOM 636 CB GLU A 39 -4.896 7.501 3.378 1.00 0.00 C ATOM 637 CG GLU A 39 -6.097 6.598 3.550 1.00 0.00 C ATOM 638 CD GLU A 39 -7.392 7.332 3.450 1.00 0.00 C ATOM 639 OE1 GLU A 39 -7.794 8.012 4.422 1.00 0.00 O ATOM 640 OE2 GLU A 39 -8.068 7.224 2.408 1.00 0.00 O ATOM 0 H GLU A 39 -4.655 6.414 1.129 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.730 8.925 2.014 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.993 6.895 3.453 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.874 8.210 4.206 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -6.069 5.815 2.792 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.039 6.104 4.520 1.00 0.00 H new ATOM 647 N ARG A 40 -2.454 8.412 1.822 1.00 0.00 N ATOM 648 CA ARG A 40 -1.112 9.005 1.759 1.00 0.00 C ATOM 649 C ARG A 40 -1.081 10.151 0.756 1.00 0.00 C ATOM 650 O ARG A 40 -0.617 11.260 1.066 1.00 0.00 O ATOM 651 CB ARG A 40 -0.076 7.920 1.359 1.00 0.00 C ATOM 652 CG ARG A 40 1.341 8.437 1.103 1.00 0.00 C ATOM 653 CD ARG A 40 1.995 9.008 2.355 1.00 0.00 C ATOM 654 NE ARG A 40 2.372 7.969 3.314 1.00 0.00 N ATOM 655 CZ ARG A 40 2.825 8.193 4.556 1.00 0.00 C ATOM 656 NH1 ARG A 40 2.680 9.390 5.122 1.00 0.00 N ATOM 657 NH2 ARG A 40 3.398 7.212 5.247 1.00 0.00 N ATOM 0 H ARG A 40 -2.453 7.401 1.687 1.00 0.00 H new ATOM 0 HA ARG A 40 -0.857 9.400 2.743 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.035 7.170 2.149 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.430 7.416 0.460 1.00 0.00 H new ATOM 0 HG2 ARG A 40 1.955 7.624 0.716 1.00 0.00 H new ATOM 0 HG3 ARG A 40 1.308 9.207 0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 40 2.882 9.575 2.071 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.309 9.707 2.833 1.00 0.00 H new ATOM 0 HE ARG A 40 2.283 6.998 3.014 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.222 10.144 4.610 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.027 9.553 6.067 1.00 0.00 H new ATOM 0 HH21 ARG A 40 3.494 6.285 4.833 1.00 0.00 H new ATOM 0 HH22 ARG A 40 3.741 7.387 6.192 1.00 0.00 H new ATOM 671 N GLU A 41 -1.578 9.881 -0.419 1.00 0.00 N ATOM 672 CA GLU A 41 -1.625 10.853 -1.477 1.00 0.00 C ATOM 673 C GLU A 41 -2.765 11.832 -1.307 1.00 0.00 C ATOM 674 O GLU A 41 -2.568 13.025 -1.470 1.00 0.00 O ATOM 675 CB GLU A 41 -1.684 10.164 -2.834 1.00 0.00 C ATOM 676 CG GLU A 41 -0.368 9.524 -3.233 1.00 0.00 C ATOM 677 CD GLU A 41 0.702 10.564 -3.460 1.00 0.00 C ATOM 678 OE1 GLU A 41 0.911 10.972 -4.631 1.00 0.00 O ATOM 679 OE2 GLU A 41 1.314 11.033 -2.493 1.00 0.00 O ATOM 0 H GLU A 41 -1.965 8.972 -0.672 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.705 11.435 -1.425 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.461 9.400 -2.814 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -1.972 10.892 -3.592 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -0.047 8.833 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -0.507 8.938 -4.142 1.00 0.00 H new ATOM 686 N GLY A 42 -3.930 11.329 -0.908 1.00 0.00 N ATOM 687 CA GLY A 42 -5.130 12.155 -0.776 1.00 0.00 C ATOM 688 C GLY A 42 -5.008 13.244 0.269 1.00 0.00 C ATOM 689 O GLY A 42 -5.635 14.304 0.154 1.00 0.00 O ATOM 0 H GLY A 42 -4.070 10.347 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.353 12.612 -1.740 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -5.975 11.515 -0.524 1.00 0.00 H new ATOM 693 N ARG A 43 -4.214 12.992 1.287 1.00 0.00 N ATOM 694 CA ARG A 43 -3.982 13.974 2.336 1.00 0.00 C ATOM 695 C ARG A 43 -3.128 15.124 1.794 1.00 0.00 C ATOM 696 O ARG A 43 -3.166 16.243 2.299 1.00 0.00 O ATOM 697 CB ARG A 43 -3.298 13.313 3.532 1.00 0.00 C ATOM 698 CG ARG A 43 -3.099 14.229 4.726 1.00 0.00 C ATOM 699 CD ARG A 43 -2.450 13.487 5.868 1.00 0.00 C ATOM 700 NE ARG A 43 -2.288 14.322 7.056 1.00 0.00 N ATOM 701 CZ ARG A 43 -2.084 13.855 8.290 1.00 0.00 C ATOM 702 NH1 ARG A 43 -1.969 12.545 8.506 1.00 0.00 N ATOM 703 NH2 ARG A 43 -1.972 14.694 9.307 1.00 0.00 N ATOM 0 H ARG A 43 -3.714 12.112 1.415 1.00 0.00 H new ATOM 0 HA ARG A 43 -4.939 14.377 2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.890 12.453 3.844 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -2.327 12.933 3.215 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.479 15.078 4.439 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.060 14.630 5.047 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.053 12.615 6.120 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.474 13.119 5.550 1.00 0.00 H new ATOM 0 HE ARG A 43 -2.334 15.334 6.934 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.037 11.892 7.726 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -1.813 12.196 9.452 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -2.042 15.699 9.149 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.816 14.335 10.249 1.00 0.00 H new ATOM 717 N ARG A 44 -2.382 14.842 0.754 1.00 0.00 N ATOM 718 CA ARG A 44 -1.536 15.827 0.134 1.00 0.00 C ATOM 719 C ARG A 44 -2.286 16.514 -0.974 1.00 0.00 C ATOM 720 O ARG A 44 -2.556 17.696 -0.896 1.00 0.00 O ATOM 721 CB ARG A 44 -0.264 15.186 -0.417 1.00 0.00 C ATOM 722 CG ARG A 44 0.641 14.592 0.635 1.00 0.00 C ATOM 723 CD ARG A 44 1.175 15.651 1.574 1.00 0.00 C ATOM 724 NE ARG A 44 1.997 15.069 2.625 1.00 0.00 N ATOM 725 CZ ARG A 44 2.760 15.751 3.468 1.00 0.00 C ATOM 726 NH1 ARG A 44 2.904 17.073 3.332 1.00 0.00 N ATOM 727 NH2 ARG A 44 3.401 15.107 4.427 1.00 0.00 N ATOM 0 H ARG A 44 -2.346 13.922 0.315 1.00 0.00 H new ATOM 0 HA ARG A 44 -1.249 16.560 0.888 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -0.542 14.404 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 44 0.294 15.937 -0.977 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.093 13.842 1.206 1.00 0.00 H new ATOM 0 HG3 ARG A 44 1.473 14.080 0.152 1.00 0.00 H new ATOM 0 HD2 ARG A 44 1.763 16.375 1.010 1.00 0.00 H new ATOM 0 HD3 ARG A 44 0.343 16.195 2.021 1.00 0.00 H new ATOM 0 HE ARG A 44 1.985 14.054 2.721 1.00 0.00 H new ATOM 0 HH11 ARG A 44 2.425 17.563 2.576 1.00 0.00 H new ATOM 0 HH12 ARG A 44 3.492 17.592 3.984 1.00 0.00 H new ATOM 0 HH21 ARG A 44 3.306 14.095 4.513 1.00 0.00 H new ATOM 0 HH22 ARG A 44 3.991 15.622 5.081 1.00 0.00 H new ATOM 741 N GLU A 45 -2.666 15.752 -1.968 1.00 0.00 N ATOM 742 CA GLU A 45 -3.339 16.270 -3.127 1.00 0.00 C ATOM 743 C GLU A 45 -4.588 15.461 -3.383 1.00 0.00 C ATOM 744 O GLU A 45 -4.599 14.251 -3.182 1.00 0.00 O ATOM 745 CB GLU A 45 -2.430 16.171 -4.365 1.00 0.00 C ATOM 746 CG GLU A 45 -1.149 16.990 -4.306 1.00 0.00 C ATOM 747 CD GLU A 45 -1.402 18.473 -4.254 1.00 0.00 C ATOM 748 OE1 GLU A 45 -1.744 19.064 -5.302 1.00 0.00 O ATOM 749 OE2 GLU A 45 -1.243 19.079 -3.189 1.00 0.00 O ATOM 0 H GLU A 45 -2.514 14.744 -1.993 1.00 0.00 H new ATOM 0 HA GLU A 45 -3.591 17.315 -2.945 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.165 15.125 -4.516 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -3.001 16.485 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.575 16.694 -3.428 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.537 16.762 -5.179 1.00 0.00 H new ATOM 756 N VAL A 46 -5.629 16.112 -3.822 1.00 0.00 N ATOM 757 CA VAL A 46 -6.850 15.418 -4.209 1.00 0.00 C ATOM 758 C VAL A 46 -6.821 15.136 -5.708 1.00 0.00 C ATOM 759 O VAL A 46 -7.771 14.591 -6.291 1.00 0.00 O ATOM 760 CB VAL A 46 -8.142 16.199 -3.822 1.00 0.00 C ATOM 761 CG1 VAL A 46 -8.284 16.282 -2.312 1.00 0.00 C ATOM 762 CG2 VAL A 46 -8.149 17.596 -4.434 1.00 0.00 C ATOM 0 H VAL A 46 -5.667 17.126 -3.925 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.883 14.480 -3.655 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.995 15.651 -4.224 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.192 16.831 -2.062 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.342 15.276 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.420 16.799 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.063 18.115 -4.145 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.285 18.155 -4.074 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -8.104 17.518 -5.520 1.00 0.00 H new ATOM 772 N ASP A 47 -5.710 15.506 -6.313 1.00 0.00 N ATOM 773 CA ASP A 47 -5.468 15.313 -7.722 1.00 0.00 C ATOM 774 C ASP A 47 -4.983 13.901 -7.951 1.00 0.00 C ATOM 775 O ASP A 47 -5.782 13.043 -8.369 1.00 0.00 O ATOM 776 CB ASP A 47 -4.421 16.314 -8.225 1.00 0.00 C ATOM 777 CG ASP A 47 -4.198 16.236 -9.720 1.00 0.00 C ATOM 778 OD1 ASP A 47 -4.958 16.874 -10.472 1.00 0.00 O ATOM 779 OD2 ASP A 47 -3.225 15.574 -10.178 1.00 0.00 O ATOM 780 OXT ASP A 47 -3.806 13.608 -7.644 1.00 0.00 O ATOM 0 H ASP A 47 -4.937 15.958 -5.826 1.00 0.00 H new ATOM 0 HA ASP A 47 -6.394 15.477 -8.273 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.736 17.324 -7.963 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.476 16.132 -7.712 1.00 0.00 H new TER 785 ASP A 47