USER MOD reduce.3.24.130724 H: found=0, std=0, add=287, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 286 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 28 HIS HE2 : A 28 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 33 HIS HE2 : A 33 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 19 CYS SG : rot 120:sc= -0.425 USER MOD Set 1.2: A 24 HIS : no HE2:sc= 0.504 K(o=0.079,f=-2.8!) USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.0665 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 81:sc= 0.992 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0.0216 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 143:sc= 1.2 (180deg=0.389) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= 1.16 (180deg=0.851) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.426 16.349 -17.131 1.00 0.00 N ATOM 2 CA GLY A 1 10.441 15.654 -16.274 1.00 0.00 C ATOM 3 C GLY A 1 11.062 14.479 -15.529 1.00 0.00 C ATOM 4 O GLY A 1 12.160 14.027 -15.863 1.00 0.00 O ATOM 0 H1 GLY A 1 11.559 17.322 -16.788 1.00 0.00 H new ATOM 0 H2 GLY A 1 12.334 15.843 -17.097 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.079 16.372 -18.111 1.00 0.00 H new ATOM 0 HA2 GLY A 1 10.024 16.359 -15.555 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.614 15.298 -16.888 1.00 0.00 H new ATOM 10 N SER A 2 10.362 13.969 -14.510 1.00 0.00 N ATOM 11 CA SER A 2 10.809 12.837 -13.675 1.00 0.00 C ATOM 12 C SER A 2 10.894 11.519 -14.462 1.00 0.00 C ATOM 13 O SER A 2 10.065 11.254 -15.340 1.00 0.00 O ATOM 14 CB SER A 2 9.867 12.652 -12.478 1.00 0.00 C ATOM 15 OG SER A 2 9.747 13.858 -11.736 1.00 0.00 O ATOM 0 H SER A 2 9.451 14.335 -14.233 1.00 0.00 H new ATOM 0 HA SER A 2 11.813 13.083 -13.328 1.00 0.00 H new ATOM 0 HB2 SER A 2 8.884 12.337 -12.829 1.00 0.00 H new ATOM 0 HB3 SER A 2 10.244 11.859 -11.832 1.00 0.00 H new ATOM 0 HG SER A 2 9.141 13.717 -10.979 1.00 0.00 H new ATOM 21 N SER A 3 11.871 10.667 -14.129 1.00 0.00 N ATOM 22 CA SER A 3 12.080 9.371 -14.795 1.00 0.00 C ATOM 23 C SER A 3 10.860 8.452 -14.643 1.00 0.00 C ATOM 24 O SER A 3 10.304 8.320 -13.547 1.00 0.00 O ATOM 25 CB SER A 3 13.339 8.687 -14.250 1.00 0.00 C ATOM 26 OG SER A 3 13.642 7.538 -15.026 1.00 0.00 O ATOM 0 H SER A 3 12.544 10.856 -13.386 1.00 0.00 H new ATOM 0 HA SER A 3 12.216 9.564 -15.859 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.178 9.382 -14.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.187 8.403 -13.209 1.00 0.00 H new ATOM 0 HG SER A 3 14.448 7.108 -14.672 1.00 0.00 H new ATOM 32 N GLY A 4 10.400 7.859 -15.749 1.00 0.00 N ATOM 33 CA GLY A 4 9.199 7.012 -15.799 1.00 0.00 C ATOM 34 C GLY A 4 7.892 7.709 -15.375 1.00 0.00 C ATOM 35 O GLY A 4 6.921 7.024 -15.042 1.00 0.00 O ATOM 0 H GLY A 4 10.860 7.955 -16.654 1.00 0.00 H new ATOM 0 HA2 GLY A 4 9.080 6.637 -16.815 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.356 6.146 -15.156 1.00 0.00 H new ATOM 39 N SER A 5 7.868 9.050 -15.333 1.00 0.00 N ATOM 40 CA SER A 5 6.788 9.870 -14.751 1.00 0.00 C ATOM 41 C SER A 5 6.461 9.506 -13.287 1.00 0.00 C ATOM 42 O SER A 5 5.304 9.562 -12.862 1.00 0.00 O ATOM 43 CB SER A 5 5.547 9.899 -15.659 1.00 0.00 C ATOM 44 OG SER A 5 5.881 10.360 -16.962 1.00 0.00 O ATOM 0 H SER A 5 8.625 9.616 -15.716 1.00 0.00 H new ATOM 0 HA SER A 5 7.167 10.891 -14.703 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.115 8.900 -15.722 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.788 10.548 -15.223 1.00 0.00 H new ATOM 0 HG SER A 5 5.077 10.368 -17.522 1.00 0.00 H new ATOM 50 N SER A 6 7.477 9.104 -12.511 1.00 0.00 N ATOM 51 CA SER A 6 7.333 8.626 -11.124 1.00 0.00 C ATOM 52 C SER A 6 6.787 9.695 -10.161 1.00 0.00 C ATOM 53 O SER A 6 7.071 10.888 -10.301 1.00 0.00 O ATOM 54 CB SER A 6 8.670 8.098 -10.585 1.00 0.00 C ATOM 55 OG SER A 6 9.138 7.003 -11.354 1.00 0.00 O ATOM 0 H SER A 6 8.444 9.101 -12.835 1.00 0.00 H new ATOM 0 HA SER A 6 6.600 7.820 -11.167 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.411 8.897 -10.598 1.00 0.00 H new ATOM 0 HB3 SER A 6 8.550 7.791 -9.546 1.00 0.00 H new ATOM 0 HG SER A 6 9.574 7.336 -12.166 1.00 0.00 H new ATOM 61 N GLY A 7 6.027 9.252 -9.153 1.00 0.00 N ATOM 62 CA GLY A 7 5.364 10.112 -8.159 1.00 0.00 C ATOM 63 C GLY A 7 4.838 9.329 -6.951 1.00 0.00 C ATOM 64 O GLY A 7 3.698 9.516 -6.530 1.00 0.00 O ATOM 0 H GLY A 7 5.850 8.259 -9.000 1.00 0.00 H new ATOM 0 HA2 GLY A 7 6.067 10.871 -7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.535 10.637 -8.635 1.00 0.00 H new ATOM 68 N GLU A 8 5.643 8.400 -6.426 1.00 0.00 N ATOM 69 CA GLU A 8 5.241 7.407 -5.413 1.00 0.00 C ATOM 70 C GLU A 8 5.204 7.988 -3.981 1.00 0.00 C ATOM 71 O GLU A 8 5.983 7.603 -3.102 1.00 0.00 O ATOM 72 CB GLU A 8 6.109 6.140 -5.541 1.00 0.00 C ATOM 73 CG GLU A 8 5.935 5.458 -6.908 1.00 0.00 C ATOM 74 CD GLU A 8 6.780 4.177 -7.022 1.00 0.00 C ATOM 75 OE1 GLU A 8 8.032 4.267 -7.047 1.00 0.00 O ATOM 76 OE2 GLU A 8 6.196 3.071 -7.126 1.00 0.00 O ATOM 0 H GLU A 8 6.622 8.312 -6.699 1.00 0.00 H new ATOM 0 HA GLU A 8 4.209 7.118 -5.612 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.157 6.403 -5.398 1.00 0.00 H new ATOM 0 HB3 GLU A 8 5.845 5.438 -4.750 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.884 5.214 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 8 6.219 6.152 -7.699 1.00 0.00 H new ATOM 83 N LYS A 9 4.306 8.957 -3.759 1.00 0.00 N ATOM 84 CA LYS A 9 4.201 9.769 -2.530 1.00 0.00 C ATOM 85 C LYS A 9 3.474 9.099 -1.353 1.00 0.00 C ATOM 86 O LYS A 9 3.498 9.635 -0.243 1.00 0.00 O ATOM 87 CB LYS A 9 3.557 11.126 -2.874 1.00 0.00 C ATOM 88 CG LYS A 9 4.439 11.987 -3.795 1.00 0.00 C ATOM 89 CD LYS A 9 3.757 13.329 -4.104 1.00 0.00 C ATOM 90 CE LYS A 9 4.578 14.202 -5.067 1.00 0.00 C ATOM 91 NZ LYS A 9 5.821 14.727 -4.440 1.00 0.00 N ATOM 0 H LYS A 9 3.604 9.210 -4.454 1.00 0.00 H new ATOM 0 HA LYS A 9 5.221 9.900 -2.169 1.00 0.00 H new ATOM 0 HB2 LYS A 9 2.595 10.955 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 9 3.359 11.673 -1.952 1.00 0.00 H new ATOM 0 HG2 LYS A 9 5.404 12.165 -3.320 1.00 0.00 H new ATOM 0 HG3 LYS A 9 4.635 11.451 -4.724 1.00 0.00 H new ATOM 0 HD2 LYS A 9 2.775 13.142 -4.537 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.596 13.873 -3.173 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.839 13.618 -5.949 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.966 15.037 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.339 15.309 -5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 5.574 15.307 -3.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 6.420 13.932 -4.139 1.00 0.00 H new ATOM 105 N PHE A 10 2.847 7.944 -1.569 1.00 0.00 N ATOM 106 CA PHE A 10 2.126 7.171 -0.546 1.00 0.00 C ATOM 107 C PHE A 10 2.967 5.979 -0.061 1.00 0.00 C ATOM 108 O PHE A 10 3.677 5.363 -0.858 1.00 0.00 O ATOM 109 CB PHE A 10 0.753 6.738 -1.087 1.00 0.00 C ATOM 110 CG PHE A 10 -0.108 7.884 -1.587 1.00 0.00 C ATOM 111 CD1 PHE A 10 -0.887 8.633 -0.686 1.00 0.00 C ATOM 112 CD2 PHE A 10 -0.117 8.217 -2.955 1.00 0.00 C ATOM 113 CE1 PHE A 10 -1.676 9.703 -1.152 1.00 0.00 C ATOM 114 CE2 PHE A 10 -0.911 9.278 -3.424 1.00 0.00 C ATOM 115 CZ PHE A 10 -1.694 10.020 -2.521 1.00 0.00 C ATOM 0 H PHE A 10 2.823 7.502 -2.488 1.00 0.00 H new ATOM 0 HA PHE A 10 1.954 7.804 0.325 1.00 0.00 H new ATOM 0 HB2 PHE A 10 0.903 6.029 -1.901 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.215 6.210 -0.300 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -0.880 8.387 0.366 1.00 0.00 H new ATOM 0 HD2 PHE A 10 0.490 7.654 -3.648 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.267 10.280 -0.457 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.920 9.523 -4.476 1.00 0.00 H new ATOM 0 HZ PHE A 10 -2.308 10.833 -2.880 1.00 0.00 H new ATOM 125 N ALA A 11 2.892 5.645 1.232 1.00 0.00 N ATOM 126 CA ALA A 11 3.719 4.612 1.869 1.00 0.00 C ATOM 127 C ALA A 11 2.938 3.740 2.870 1.00 0.00 C ATOM 128 O ALA A 11 2.064 4.231 3.592 1.00 0.00 O ATOM 129 CB ALA A 11 4.913 5.296 2.548 1.00 0.00 C ATOM 0 H ALA A 11 2.242 6.093 1.878 1.00 0.00 H new ATOM 0 HA ALA A 11 4.062 3.926 1.094 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.539 4.543 3.027 1.00 0.00 H new ATOM 0 HB2 ALA A 11 5.498 5.833 1.801 1.00 0.00 H new ATOM 0 HB3 ALA A 11 4.551 5.998 3.299 1.00 0.00 H new ATOM 135 N CYS A 12 3.292 2.453 2.937 1.00 0.00 N ATOM 136 CA CYS A 12 2.729 1.468 3.862 1.00 0.00 C ATOM 137 C CYS A 12 3.165 1.717 5.321 1.00 0.00 C ATOM 138 O CYS A 12 4.267 2.199 5.601 1.00 0.00 O ATOM 139 CB CYS A 12 3.106 0.083 3.321 1.00 0.00 C ATOM 140 SG CYS A 12 2.391 -1.273 4.299 1.00 0.00 S ATOM 0 H CYS A 12 4.005 2.055 2.325 1.00 0.00 H new ATOM 0 HA CYS A 12 1.643 1.550 3.908 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.769 -0.003 2.288 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.192 -0.015 3.311 1.00 0.00 H new ATOM 145 N ASP A 13 2.273 1.388 6.256 1.00 0.00 N ATOM 146 CA ASP A 13 2.496 1.485 7.705 1.00 0.00 C ATOM 147 C ASP A 13 3.111 0.199 8.299 1.00 0.00 C ATOM 148 O ASP A 13 3.584 0.202 9.438 1.00 0.00 O ATOM 149 CB ASP A 13 1.162 1.842 8.378 1.00 0.00 C ATOM 150 CG ASP A 13 1.332 2.238 9.857 1.00 0.00 C ATOM 151 OD1 ASP A 13 2.029 3.245 10.138 1.00 0.00 O ATOM 152 OD2 ASP A 13 0.730 1.583 10.740 1.00 0.00 O ATOM 0 H ASP A 13 1.345 1.035 6.022 1.00 0.00 H new ATOM 0 HA ASP A 13 3.228 2.269 7.897 1.00 0.00 H new ATOM 0 HB2 ASP A 13 0.695 2.665 7.837 1.00 0.00 H new ATOM 0 HB3 ASP A 13 0.485 0.990 8.309 1.00 0.00 H new ATOM 157 N TYR A 14 3.119 -0.898 7.530 1.00 0.00 N ATOM 158 CA TYR A 14 3.485 -2.246 7.989 1.00 0.00 C ATOM 159 C TYR A 14 4.771 -2.795 7.339 1.00 0.00 C ATOM 160 O TYR A 14 5.407 -3.684 7.911 1.00 0.00 O ATOM 161 CB TYR A 14 2.306 -3.195 7.720 1.00 0.00 C ATOM 162 CG TYR A 14 0.955 -2.737 8.242 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.593 -2.984 9.581 1.00 0.00 C ATOM 164 CD2 TYR A 14 0.054 -2.074 7.382 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.666 -2.571 10.060 1.00 0.00 C ATOM 166 CE2 TYR A 14 -1.205 -1.657 7.858 1.00 0.00 C ATOM 167 CZ TYR A 14 -1.567 -1.905 9.201 1.00 0.00 C ATOM 168 OH TYR A 14 -2.781 -1.509 9.674 1.00 0.00 O ATOM 0 H TYR A 14 2.864 -0.872 6.543 1.00 0.00 H new ATOM 0 HA TYR A 14 3.699 -2.180 9.056 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.226 -3.348 6.644 1.00 0.00 H new ATOM 0 HB3 TYR A 14 2.536 -4.164 8.163 1.00 0.00 H new ATOM 0 HD1 TYR A 14 1.281 -3.491 10.241 1.00 0.00 H new ATOM 0 HD2 TYR A 14 0.330 -1.885 6.355 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -0.942 -2.764 11.086 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.892 -1.149 7.198 1.00 0.00 H new ATOM 0 HH TYR A 14 -3.282 -1.064 8.958 1.00 0.00 H new ATOM 178 N CYS A 15 5.156 -2.283 6.163 1.00 0.00 N ATOM 179 CA CYS A 15 6.360 -2.671 5.414 1.00 0.00 C ATOM 180 C CYS A 15 6.929 -1.507 4.565 1.00 0.00 C ATOM 181 O CYS A 15 6.413 -0.388 4.588 1.00 0.00 O ATOM 182 CB CYS A 15 6.043 -3.926 4.578 1.00 0.00 C ATOM 183 SG CYS A 15 4.979 -3.545 3.167 1.00 0.00 S ATOM 0 H CYS A 15 4.617 -1.559 5.688 1.00 0.00 H new ATOM 0 HA CYS A 15 7.156 -2.914 6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 15 6.973 -4.370 4.222 1.00 0.00 H new ATOM 0 HB3 CYS A 15 5.556 -4.669 5.209 1.00 0.00 H new ATOM 188 N SER A 16 8.003 -1.768 3.813 1.00 0.00 N ATOM 189 CA SER A 16 8.735 -0.772 3.003 1.00 0.00 C ATOM 190 C SER A 16 8.156 -0.526 1.598 1.00 0.00 C ATOM 191 O SER A 16 8.867 -0.123 0.674 1.00 0.00 O ATOM 192 CB SER A 16 10.235 -1.112 2.952 1.00 0.00 C ATOM 193 OG SER A 16 10.768 -1.274 4.261 1.00 0.00 O ATOM 0 H SER A 16 8.404 -2.704 3.745 1.00 0.00 H new ATOM 0 HA SER A 16 8.601 0.179 3.518 1.00 0.00 H new ATOM 0 HB2 SER A 16 10.384 -2.027 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 16 10.773 -0.319 2.432 1.00 0.00 H new ATOM 0 HG SER A 16 11.722 -1.491 4.201 1.00 0.00 H new ATOM 199 N PHE A 17 6.857 -0.769 1.427 1.00 0.00 N ATOM 200 CA PHE A 17 6.110 -0.538 0.184 1.00 0.00 C ATOM 201 C PHE A 17 5.739 0.944 -0.001 1.00 0.00 C ATOM 202 O PHE A 17 5.310 1.613 0.943 1.00 0.00 O ATOM 203 CB PHE A 17 4.864 -1.436 0.167 1.00 0.00 C ATOM 204 CG PHE A 17 3.920 -1.228 -1.006 1.00 0.00 C ATOM 205 CD1 PHE A 17 4.107 -1.945 -2.204 1.00 0.00 C ATOM 206 CD2 PHE A 17 2.839 -0.333 -0.893 1.00 0.00 C ATOM 207 CE1 PHE A 17 3.215 -1.766 -3.279 1.00 0.00 C ATOM 208 CE2 PHE A 17 1.947 -0.157 -1.967 1.00 0.00 C ATOM 209 CZ PHE A 17 2.136 -0.874 -3.160 1.00 0.00 C ATOM 0 H PHE A 17 6.273 -1.145 2.174 1.00 0.00 H new ATOM 0 HA PHE A 17 6.750 -0.798 -0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 17 5.188 -2.477 0.169 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.308 -1.273 1.091 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.935 -2.632 -2.298 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.694 0.221 0.023 1.00 0.00 H new ATOM 0 HE1 PHE A 17 3.361 -2.316 -4.197 1.00 0.00 H new ATOM 0 HE2 PHE A 17 1.118 0.529 -1.874 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.452 -0.740 -3.985 1.00 0.00 H new ATOM 219 N THR A 18 5.848 1.437 -1.238 1.00 0.00 N ATOM 220 CA THR A 18 5.411 2.779 -1.665 1.00 0.00 C ATOM 221 C THR A 18 4.650 2.726 -2.993 1.00 0.00 C ATOM 222 O THR A 18 4.839 1.805 -3.795 1.00 0.00 O ATOM 223 CB THR A 18 6.579 3.776 -1.777 1.00 0.00 C ATOM 224 OG1 THR A 18 7.567 3.302 -2.670 1.00 0.00 O ATOM 225 CG2 THR A 18 7.260 4.034 -0.433 1.00 0.00 C ATOM 0 H THR A 18 6.257 0.897 -2.001 1.00 0.00 H new ATOM 0 HA THR A 18 4.740 3.136 -0.883 1.00 0.00 H new ATOM 0 HB THR A 18 6.139 4.704 -2.142 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.297 3.953 -2.725 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.076 4.744 -0.569 1.00 0.00 H new ATOM 0 HG22 THR A 18 6.535 4.445 0.269 1.00 0.00 H new ATOM 0 HG23 THR A 18 7.655 3.097 -0.040 1.00 0.00 H new ATOM 233 N CYS A 19 3.763 3.700 -3.228 1.00 0.00 N ATOM 234 CA CYS A 19 2.920 3.775 -4.425 1.00 0.00 C ATOM 235 C CYS A 19 2.519 5.223 -4.772 1.00 0.00 C ATOM 236 O CYS A 19 2.618 6.129 -3.944 1.00 0.00 O ATOM 237 CB CYS A 19 1.683 2.894 -4.193 1.00 0.00 C ATOM 238 SG CYS A 19 0.909 2.486 -5.781 1.00 0.00 S ATOM 0 H CYS A 19 3.609 4.472 -2.579 1.00 0.00 H new ATOM 0 HA CYS A 19 3.486 3.412 -5.283 1.00 0.00 H new ATOM 0 HB2 CYS A 19 1.969 1.980 -3.673 1.00 0.00 H new ATOM 0 HB3 CYS A 19 0.970 3.415 -3.554 1.00 0.00 H new ATOM 0 HG CYS A 19 0.901 1.196 -5.941 1.00 0.00 H new ATOM 244 N LEU A 20 2.041 5.441 -6.003 1.00 0.00 N ATOM 245 CA LEU A 20 1.531 6.724 -6.515 1.00 0.00 C ATOM 246 C LEU A 20 0.012 6.933 -6.325 1.00 0.00 C ATOM 247 O LEU A 20 -0.535 7.936 -6.789 1.00 0.00 O ATOM 248 CB LEU A 20 2.016 6.941 -7.965 1.00 0.00 C ATOM 249 CG LEU A 20 1.224 6.243 -9.092 1.00 0.00 C ATOM 250 CD1 LEU A 20 1.878 6.567 -10.436 1.00 0.00 C ATOM 251 CD2 LEU A 20 1.161 4.720 -8.953 1.00 0.00 C ATOM 0 H LEU A 20 1.996 4.699 -6.701 1.00 0.00 H new ATOM 0 HA LEU A 20 1.958 7.512 -5.895 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.012 8.013 -8.165 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.052 6.609 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 20 0.203 6.619 -9.026 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.324 6.078 -11.237 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.869 7.645 -10.595 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.908 6.209 -10.435 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.588 4.302 -9.781 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.171 4.311 -8.968 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.678 4.460 -8.011 1.00 0.00 H new ATOM 263 N SER A 21 -0.670 6.009 -5.639 1.00 0.00 N ATOM 264 CA SER A 21 -2.102 6.091 -5.310 1.00 0.00 C ATOM 265 C SER A 21 -2.407 5.541 -3.914 1.00 0.00 C ATOM 266 O SER A 21 -1.980 4.437 -3.560 1.00 0.00 O ATOM 267 CB SER A 21 -2.919 5.333 -6.364 1.00 0.00 C ATOM 268 OG SER A 21 -4.277 5.222 -5.968 1.00 0.00 O ATOM 0 H SER A 21 -0.231 5.159 -5.286 1.00 0.00 H new ATOM 0 HA SER A 21 -2.382 7.145 -5.311 1.00 0.00 H new ATOM 0 HB2 SER A 21 -2.856 5.852 -7.321 1.00 0.00 H new ATOM 0 HB3 SER A 21 -2.497 4.339 -6.512 1.00 0.00 H new ATOM 0 HG SER A 21 -4.780 4.737 -6.655 1.00 0.00 H new ATOM 274 N LYS A 22 -3.221 6.276 -3.144 1.00 0.00 N ATOM 275 CA LYS A 22 -3.794 5.816 -1.865 1.00 0.00 C ATOM 276 C LYS A 22 -4.807 4.675 -2.033 1.00 0.00 C ATOM 277 O LYS A 22 -4.940 3.839 -1.140 1.00 0.00 O ATOM 278 CB LYS A 22 -4.388 7.007 -1.088 1.00 0.00 C ATOM 279 CG LYS A 22 -5.547 7.726 -1.801 1.00 0.00 C ATOM 280 CD LYS A 22 -6.035 8.925 -0.977 1.00 0.00 C ATOM 281 CE LYS A 22 -7.186 9.633 -1.702 1.00 0.00 C ATOM 282 NZ LYS A 22 -7.683 10.801 -0.930 1.00 0.00 N ATOM 0 H LYS A 22 -3.506 7.223 -3.394 1.00 0.00 H new ATOM 0 HA LYS A 22 -2.979 5.392 -1.279 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -4.740 6.652 -0.119 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.595 7.729 -0.894 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -5.221 8.064 -2.785 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -6.370 7.029 -1.960 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.366 8.589 0.006 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.213 9.623 -0.815 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.850 9.962 -2.685 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.002 8.929 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.461 11.255 -1.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.027 10.483 -0.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.910 11.484 -0.797 1.00 0.00 H new ATOM 296 N GLY A 23 -5.469 4.586 -3.190 1.00 0.00 N ATOM 297 CA GLY A 23 -6.352 3.468 -3.541 1.00 0.00 C ATOM 298 C GLY A 23 -5.570 2.173 -3.771 1.00 0.00 C ATOM 299 O GLY A 23 -5.916 1.129 -3.222 1.00 0.00 O ATOM 0 H GLY A 23 -5.407 5.297 -3.919 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -7.079 3.316 -2.744 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -6.913 3.718 -4.441 1.00 0.00 H new ATOM 303 N HIS A 24 -4.448 2.251 -4.493 1.00 0.00 N ATOM 304 CA HIS A 24 -3.543 1.111 -4.679 1.00 0.00 C ATOM 305 C HIS A 24 -2.833 0.726 -3.365 1.00 0.00 C ATOM 306 O HIS A 24 -2.630 -0.463 -3.104 1.00 0.00 O ATOM 307 CB HIS A 24 -2.559 1.434 -5.812 1.00 0.00 C ATOM 308 CG HIS A 24 -1.755 0.258 -6.325 1.00 0.00 C ATOM 309 ND1 HIS A 24 -1.417 -0.891 -5.640 1.00 0.00 N ATOM 310 CD2 HIS A 24 -1.212 0.142 -7.578 1.00 0.00 C ATOM 311 CE1 HIS A 24 -0.696 -1.677 -6.456 1.00 0.00 C ATOM 312 NE2 HIS A 24 -0.544 -1.089 -7.657 1.00 0.00 N ATOM 0 H HIS A 24 -4.142 3.102 -4.964 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.120 0.232 -4.966 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.117 1.862 -6.645 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -1.868 2.201 -5.463 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -1.672 -1.107 -4.676 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -1.286 0.873 -8.369 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.295 -2.643 -6.187 1.00 0.00 H new ATOM 320 N LEU A 25 -2.527 1.692 -2.491 1.00 0.00 N ATOM 321 CA LEU A 25 -2.026 1.417 -1.140 1.00 0.00 C ATOM 322 C LEU A 25 -3.065 0.683 -0.270 1.00 0.00 C ATOM 323 O LEU A 25 -2.703 -0.249 0.451 1.00 0.00 O ATOM 324 CB LEU A 25 -1.558 2.733 -0.496 1.00 0.00 C ATOM 325 CG LEU A 25 -1.022 2.570 0.938 1.00 0.00 C ATOM 326 CD1 LEU A 25 0.187 1.639 1.004 1.00 0.00 C ATOM 327 CD2 LEU A 25 -0.609 3.929 1.494 1.00 0.00 C ATOM 0 H LEU A 25 -2.620 2.686 -2.701 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.175 0.739 -1.214 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.778 3.173 -1.117 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.390 3.437 -0.484 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.827 2.133 1.529 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.527 1.557 2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -0.093 0.652 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.991 2.042 0.388 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.231 3.807 2.509 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.171 4.358 0.865 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.472 4.595 1.506 1.00 0.00 H new ATOM 339 N LYS A 26 -4.359 1.020 -0.375 1.00 0.00 N ATOM 340 CA LYS A 26 -5.423 0.230 0.265 1.00 0.00 C ATOM 341 C LYS A 26 -5.460 -1.192 -0.296 1.00 0.00 C ATOM 342 O LYS A 26 -5.445 -2.133 0.488 1.00 0.00 O ATOM 343 CB LYS A 26 -6.778 0.955 0.175 1.00 0.00 C ATOM 344 CG LYS A 26 -7.892 0.175 0.896 1.00 0.00 C ATOM 345 CD LYS A 26 -9.187 0.995 0.972 1.00 0.00 C ATOM 346 CE LYS A 26 -10.386 0.200 1.516 1.00 0.00 C ATOM 347 NZ LYS A 26 -10.221 -0.225 2.932 1.00 0.00 N ATOM 0 H LYS A 26 -4.694 1.831 -0.895 1.00 0.00 H new ATOM 0 HA LYS A 26 -5.199 0.134 1.327 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -6.688 1.949 0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -7.049 1.091 -0.872 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.082 -0.761 0.371 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.564 -0.085 1.902 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.020 1.865 1.607 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -9.430 1.368 -0.023 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -11.285 0.810 1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -10.539 -0.683 0.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -11.137 -0.166 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.875 -1.205 2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.536 0.399 3.404 1.00 0.00 H new ATOM 361 N VAL A 27 -5.399 -1.379 -1.619 1.00 0.00 N ATOM 362 CA VAL A 27 -5.333 -2.722 -2.243 1.00 0.00 C ATOM 363 C VAL A 27 -4.123 -3.531 -1.745 1.00 0.00 C ATOM 364 O VAL A 27 -4.262 -4.726 -1.484 1.00 0.00 O ATOM 365 CB VAL A 27 -5.363 -2.621 -3.784 1.00 0.00 C ATOM 366 CG1 VAL A 27 -5.130 -3.968 -4.483 1.00 0.00 C ATOM 367 CG2 VAL A 27 -6.727 -2.104 -4.260 1.00 0.00 C ATOM 0 H VAL A 27 -5.394 -0.613 -2.292 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.222 -3.270 -1.932 1.00 0.00 H new ATOM 0 HB VAL A 27 -4.554 -1.939 -4.046 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.163 -3.828 -5.563 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.154 -4.362 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.907 -4.672 -4.184 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -6.732 -2.039 -5.348 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.510 -2.789 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.910 -1.116 -3.836 1.00 0.00 H new ATOM 377 N HIS A 28 -2.964 -2.899 -1.520 1.00 0.00 N ATOM 378 CA HIS A 28 -1.811 -3.538 -0.874 1.00 0.00 C ATOM 379 C HIS A 28 -2.143 -4.013 0.555 1.00 0.00 C ATOM 380 O HIS A 28 -1.958 -5.187 0.872 1.00 0.00 O ATOM 381 CB HIS A 28 -0.607 -2.578 -0.915 1.00 0.00 C ATOM 382 CG HIS A 28 0.570 -3.019 -0.081 1.00 0.00 C ATOM 383 ND1 HIS A 28 1.496 -3.973 -0.428 1.00 0.00 N ATOM 384 CD2 HIS A 28 0.930 -2.536 1.149 1.00 0.00 C ATOM 385 CE1 HIS A 28 2.391 -4.075 0.567 1.00 0.00 C ATOM 386 NE2 HIS A 28 2.083 -3.225 1.577 1.00 0.00 N ATOM 0 H HIS A 28 -2.799 -1.927 -1.782 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.548 -4.440 -1.427 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.282 -2.466 -1.949 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -0.930 -1.594 -0.574 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.502 -4.512 -1.294 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.418 -1.759 1.698 1.00 0.00 H new ATOM 0 HE1 HIS A 28 3.240 -4.743 0.563 1.00 0.00 H new ATOM 394 N ILE A 29 -2.694 -3.146 1.411 1.00 0.00 N ATOM 395 CA ILE A 29 -3.038 -3.481 2.807 1.00 0.00 C ATOM 396 C ILE A 29 -4.119 -4.579 2.882 1.00 0.00 C ATOM 397 O ILE A 29 -3.974 -5.536 3.644 1.00 0.00 O ATOM 398 CB ILE A 29 -3.434 -2.193 3.574 1.00 0.00 C ATOM 399 CG1 ILE A 29 -2.213 -1.247 3.693 1.00 0.00 C ATOM 400 CG2 ILE A 29 -3.981 -2.515 4.979 1.00 0.00 C ATOM 401 CD1 ILE A 29 -2.564 0.184 4.119 1.00 0.00 C ATOM 0 H ILE A 29 -2.918 -2.184 1.158 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.159 -3.901 3.296 1.00 0.00 H new ATOM 0 HB ILE A 29 -4.225 -1.701 3.008 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.512 -1.667 4.414 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.700 -1.212 2.732 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -4.248 -1.588 5.487 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -4.864 -3.147 4.889 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -3.218 -3.038 5.556 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -1.653 0.780 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -3.240 0.626 3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -3.049 0.164 5.095 1.00 0.00 H new ATOM 413 N GLU A 30 -5.156 -4.495 2.045 1.00 0.00 N ATOM 414 CA GLU A 30 -6.284 -5.440 1.984 1.00 0.00 C ATOM 415 C GLU A 30 -5.900 -6.859 1.514 1.00 0.00 C ATOM 416 O GLU A 30 -6.686 -7.791 1.712 1.00 0.00 O ATOM 417 CB GLU A 30 -7.378 -4.876 1.053 1.00 0.00 C ATOM 418 CG GLU A 30 -8.090 -3.606 1.560 1.00 0.00 C ATOM 419 CD GLU A 30 -8.982 -3.798 2.795 1.00 0.00 C ATOM 420 OE1 GLU A 30 -9.416 -4.929 3.109 1.00 0.00 O ATOM 421 OE2 GLU A 30 -9.267 -2.786 3.479 1.00 0.00 O ATOM 0 H GLU A 30 -5.240 -3.740 1.364 1.00 0.00 H new ATOM 0 HA GLU A 30 -6.645 -5.544 3.007 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -6.929 -4.658 0.084 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.127 -5.651 0.890 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.335 -2.855 1.792 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.701 -3.205 0.751 1.00 0.00 H new ATOM 428 N ARG A 31 -4.718 -7.049 0.907 1.00 0.00 N ATOM 429 CA ARG A 31 -4.267 -8.341 0.345 1.00 0.00 C ATOM 430 C ARG A 31 -2.999 -8.886 1.005 1.00 0.00 C ATOM 431 O ARG A 31 -2.879 -10.102 1.165 1.00 0.00 O ATOM 432 CB ARG A 31 -4.075 -8.199 -1.179 1.00 0.00 C ATOM 433 CG ARG A 31 -5.354 -7.841 -1.964 1.00 0.00 C ATOM 434 CD ARG A 31 -6.500 -8.854 -1.828 1.00 0.00 C ATOM 435 NE ARG A 31 -6.135 -10.189 -2.343 1.00 0.00 N ATOM 436 CZ ARG A 31 -6.831 -11.305 -2.207 1.00 0.00 C ATOM 437 NH1 ARG A 31 -7.967 -11.340 -1.568 1.00 0.00 N ATOM 438 NH2 ARG A 31 -6.395 -12.421 -2.717 1.00 0.00 N ATOM 0 H ARG A 31 -4.035 -6.301 0.789 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.046 -9.073 0.557 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.324 -7.431 -1.366 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.677 -9.136 -1.569 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -5.708 -6.866 -1.628 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.099 -7.742 -3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -6.785 -8.938 -0.779 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -7.373 -8.486 -2.367 1.00 0.00 H new ATOM 0 HE ARG A 31 -5.256 -10.257 -2.856 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.345 -10.488 -1.154 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.477 -12.219 -1.483 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.511 -12.438 -3.226 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.937 -13.278 -2.608 1.00 0.00 H new ATOM 452 N VAL A 32 -2.072 -8.013 1.404 1.00 0.00 N ATOM 453 CA VAL A 32 -0.761 -8.394 1.963 1.00 0.00 C ATOM 454 C VAL A 32 -0.779 -8.449 3.495 1.00 0.00 C ATOM 455 O VAL A 32 -0.209 -9.373 4.076 1.00 0.00 O ATOM 456 CB VAL A 32 0.346 -7.452 1.441 1.00 0.00 C ATOM 457 CG1 VAL A 32 1.734 -7.850 1.957 1.00 0.00 C ATOM 458 CG2 VAL A 32 0.411 -7.474 -0.093 1.00 0.00 C ATOM 0 H VAL A 32 -2.207 -7.004 1.349 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.538 -9.404 1.620 1.00 0.00 H new ATOM 0 HB VAL A 32 0.087 -6.458 1.806 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.480 -7.159 1.564 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.742 -7.811 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.968 -8.863 1.628 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.199 -6.802 -0.433 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.626 -8.487 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.545 -7.149 -0.502 1.00 0.00 H new ATOM 468 N HIS A 33 -1.446 -7.495 4.157 1.00 0.00 N ATOM 469 CA HIS A 33 -1.409 -7.351 5.624 1.00 0.00 C ATOM 470 C HIS A 33 -2.690 -7.844 6.314 1.00 0.00 C ATOM 471 O HIS A 33 -2.607 -8.491 7.362 1.00 0.00 O ATOM 472 CB HIS A 33 -1.037 -5.906 5.978 1.00 0.00 C ATOM 473 CG HIS A 33 0.323 -5.528 5.440 1.00 0.00 C ATOM 474 ND1 HIS A 33 1.504 -6.190 5.684 1.00 0.00 N ATOM 475 CD2 HIS A 33 0.602 -4.523 4.558 1.00 0.00 C ATOM 476 CE1 HIS A 33 2.475 -5.610 4.964 1.00 0.00 C ATOM 477 NE2 HIS A 33 1.982 -4.567 4.258 1.00 0.00 N ATOM 0 H HIS A 33 -2.029 -6.798 3.693 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.635 -8.009 6.019 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -1.789 -5.228 5.574 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -1.046 -5.783 7.061 1.00 0.00 H new ATOM 0 HD1 HIS A 33 1.621 -6.988 6.308 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -0.110 -3.816 4.158 1.00 0.00 H new ATOM 0 HE1 HIS A 33 3.506 -5.931 4.950 1.00 0.00 H new ATOM 485 N LYS A 34 -3.865 -7.667 5.695 1.00 0.00 N ATOM 486 CA LYS A 34 -5.147 -8.272 6.123 1.00 0.00 C ATOM 487 C LYS A 34 -5.284 -9.736 5.647 1.00 0.00 C ATOM 488 O LYS A 34 -6.312 -10.147 5.104 1.00 0.00 O ATOM 489 CB LYS A 34 -6.322 -7.363 5.717 1.00 0.00 C ATOM 490 CG LYS A 34 -6.299 -6.022 6.477 1.00 0.00 C ATOM 491 CD LYS A 34 -7.445 -5.081 6.077 1.00 0.00 C ATOM 492 CE LYS A 34 -8.830 -5.653 6.414 1.00 0.00 C ATOM 493 NZ LYS A 34 -9.911 -4.804 5.854 1.00 0.00 N ATOM 0 H LYS A 34 -3.960 -7.086 4.862 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.165 -8.337 7.211 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -6.281 -7.173 4.644 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -7.263 -7.876 5.914 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -6.355 -6.218 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -5.347 -5.524 6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -7.318 -4.125 6.585 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -7.389 -4.883 5.007 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -8.915 -6.664 6.017 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -8.944 -5.725 7.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -10.819 -5.069 6.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -9.709 -3.805 6.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -9.964 -4.943 4.825 1.00 0.00 H new ATOM 507 N LYS A 35 -4.203 -10.511 5.808 1.00 0.00 N ATOM 508 CA LYS A 35 -4.047 -11.901 5.337 1.00 0.00 C ATOM 509 C LYS A 35 -4.540 -12.932 6.362 1.00 0.00 C ATOM 510 O LYS A 35 -5.244 -13.875 5.999 1.00 0.00 O ATOM 511 CB LYS A 35 -2.570 -12.113 4.953 1.00 0.00 C ATOM 512 CG LYS A 35 -2.284 -13.511 4.379 1.00 0.00 C ATOM 513 CD LYS A 35 -0.804 -13.661 4.002 1.00 0.00 C ATOM 514 CE LYS A 35 -0.534 -15.079 3.482 1.00 0.00 C ATOM 515 NZ LYS A 35 0.900 -15.277 3.149 1.00 0.00 N ATOM 0 H LYS A 35 -3.372 -10.173 6.293 1.00 0.00 H new ATOM 0 HA LYS A 35 -4.678 -12.058 4.462 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -2.281 -11.361 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.947 -11.955 5.833 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.555 -14.271 5.112 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.906 -13.681 3.500 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -0.539 -12.929 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.177 -13.458 4.870 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.837 -15.807 4.235 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.142 -15.264 2.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 1.045 -16.246 2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.182 -14.599 2.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.478 -15.125 4.000 1.00 0.00 H new ATOM 529 N ILE A 36 -4.181 -12.750 7.638 1.00 0.00 N ATOM 530 CA ILE A 36 -4.488 -13.693 8.731 1.00 0.00 C ATOM 531 C ILE A 36 -5.922 -13.540 9.279 1.00 0.00 C ATOM 532 O ILE A 36 -6.553 -14.537 9.636 1.00 0.00 O ATOM 533 CB ILE A 36 -3.402 -13.588 9.831 1.00 0.00 C ATOM 534 CG1 ILE A 36 -3.542 -14.742 10.849 1.00 0.00 C ATOM 535 CG2 ILE A 36 -3.391 -12.212 10.530 1.00 0.00 C ATOM 536 CD1 ILE A 36 -2.357 -14.867 11.816 1.00 0.00 C ATOM 0 H ILE A 36 -3.660 -11.931 7.950 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.462 -14.704 8.324 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.436 -13.683 9.336 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.455 -14.595 11.426 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -3.655 -15.680 10.306 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.610 -12.197 11.291 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.196 -11.432 9.794 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -4.359 -12.035 10.999 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -2.530 -15.699 12.498 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.443 -15.046 11.250 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.255 -13.944 12.387 1.00 0.00 H new ATOM 548 N LYS A 37 -6.443 -12.305 9.308 1.00 0.00 N ATOM 549 CA LYS A 37 -7.788 -11.923 9.781 1.00 0.00 C ATOM 550 C LYS A 37 -8.389 -10.820 8.896 1.00 0.00 C ATOM 551 O LYS A 37 -9.585 -10.933 8.543 1.00 0.00 O ATOM 552 CB LYS A 37 -7.738 -11.464 11.252 1.00 0.00 C ATOM 553 CG LYS A 37 -7.400 -12.599 12.238 1.00 0.00 C ATOM 554 CD LYS A 37 -7.374 -12.139 13.706 1.00 0.00 C ATOM 555 CE LYS A 37 -8.720 -11.627 14.247 1.00 0.00 C ATOM 556 NZ LYS A 37 -9.749 -12.700 14.327 1.00 0.00 N ATOM 557 OXT LYS A 37 -7.660 -9.857 8.563 1.00 0.00 O ATOM 0 H LYS A 37 -5.910 -11.498 8.984 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.430 -12.802 9.714 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.995 -10.673 11.353 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.702 -11.033 11.523 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.133 -13.398 12.127 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.428 -13.020 11.979 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.042 -12.971 14.327 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -6.632 -11.348 13.811 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.570 -11.198 15.238 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.085 -10.826 13.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.636 -12.303 14.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.915 -13.093 13.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -9.416 -13.454 14.961 1.00 0.00 H new TER 571 LYS A 37 HETATM 572 ZN ZN A 101 2.854 -3.154 3.326 1.00 0.00 ZN