USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 536 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 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot -130:sc= -0.133 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -139:sc=-4.06e-05 (180deg=-0.00909) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0106 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.0224 X(o=-0.022,f=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.66 X(o=-0.66,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 63 N GLU A 5 10.974 -9.681 -1.572 1.00 0.00 N ATOM 64 CA GLU A 5 11.150 -8.685 -0.529 1.00 0.00 C ATOM 65 C GLU A 5 9.863 -7.879 -0.342 1.00 0.00 C ATOM 66 O GLU A 5 9.299 -7.848 0.751 1.00 0.00 O ATOM 67 CB GLU A 5 12.331 -7.765 -0.844 1.00 0.00 C ATOM 68 CG GLU A 5 13.591 -8.215 -0.101 1.00 0.00 C ATOM 69 CD GLU A 5 14.197 -7.062 0.701 1.00 0.00 C ATOM 70 OE1 GLU A 5 15.035 -6.342 0.115 1.00 0.00 O ATOM 71 OE2 GLU A 5 13.808 -6.925 1.881 1.00 0.00 O ATOM 0 HA GLU A 5 11.372 -9.201 0.405 1.00 0.00 H new ATOM 0 HB2 GLU A 5 12.519 -7.763 -1.918 1.00 0.00 H new ATOM 0 HB3 GLU A 5 12.084 -6.741 -0.562 1.00 0.00 H new ATOM 0 HG2 GLU A 5 13.347 -9.040 0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 5 14.324 -8.590 -0.815 1.00 0.00 H new ATOM 78 N LEU A 6 9.434 -7.248 -1.425 1.00 0.00 N ATOM 79 CA LEU A 6 8.224 -6.445 -1.394 1.00 0.00 C ATOM 80 C LEU A 6 7.083 -7.273 -0.799 1.00 0.00 C ATOM 81 O LEU A 6 6.411 -6.832 0.132 1.00 0.00 O ATOM 82 CB LEU A 6 7.917 -5.884 -2.784 1.00 0.00 C ATOM 83 CG LEU A 6 8.307 -4.424 -3.020 1.00 0.00 C ATOM 84 CD1 LEU A 6 8.107 -4.032 -4.485 1.00 0.00 C ATOM 85 CD2 LEU A 6 7.550 -3.494 -2.069 1.00 0.00 C ATOM 0 H LEU A 6 9.903 -7.277 -2.330 1.00 0.00 H new ATOM 0 HA LEU A 6 8.359 -5.577 -0.748 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.429 -6.500 -3.524 1.00 0.00 H new ATOM 0 HB3 LEU A 6 6.848 -5.988 -2.968 1.00 0.00 H new ATOM 0 HG LEU A 6 9.369 -4.315 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 6 8.392 -2.989 -4.625 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.727 -4.666 -5.119 1.00 0.00 H new ATOM 0 HD13 LEU A 6 7.059 -4.161 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 6 7.846 -2.462 -2.258 1.00 0.00 H new ATOM 0 HD22 LEU A 6 6.478 -3.600 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.787 -3.757 -1.038 1.00 0.00 H new ATOM 97 N LYS A 7 6.899 -8.459 -1.361 1.00 0.00 N ATOM 98 CA LYS A 7 5.851 -9.352 -0.898 1.00 0.00 C ATOM 99 C LYS A 7 5.939 -9.488 0.623 1.00 0.00 C ATOM 100 O LYS A 7 5.030 -9.073 1.341 1.00 0.00 O ATOM 101 CB LYS A 7 5.920 -10.688 -1.640 1.00 0.00 C ATOM 102 CG LYS A 7 4.524 -11.291 -1.814 1.00 0.00 C ATOM 103 CD LYS A 7 4.548 -12.451 -2.812 1.00 0.00 C ATOM 104 CE LYS A 7 3.891 -12.051 -4.134 1.00 0.00 C ATOM 105 NZ LYS A 7 2.508 -12.572 -4.204 1.00 0.00 N ATOM 0 H LYS A 7 7.458 -8.822 -2.133 1.00 0.00 H new ATOM 0 HA LYS A 7 4.869 -8.938 -1.125 1.00 0.00 H new ATOM 0 HB2 LYS A 7 6.381 -10.542 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.554 -11.382 -1.088 1.00 0.00 H new ATOM 0 HG2 LYS A 7 4.153 -11.643 -0.851 1.00 0.00 H new ATOM 0 HG3 LYS A 7 3.833 -10.523 -2.160 1.00 0.00 H new ATOM 0 HD2 LYS A 7 5.578 -12.759 -2.992 1.00 0.00 H new ATOM 0 HD3 LYS A 7 4.028 -13.310 -2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 7 3.882 -10.965 -4.228 1.00 0.00 H new ATOM 0 HE3 LYS A 7 4.475 -12.439 -4.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 2.077 -12.291 -5.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 2.524 -13.610 -4.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 1.950 -12.182 -3.418 1.00 0.00 H new ATOM 119 N GLY A 8 7.041 -10.072 1.071 1.00 0.00 N ATOM 120 CA GLY A 8 7.259 -10.268 2.493 1.00 0.00 C ATOM 121 C GLY A 8 7.120 -8.950 3.257 1.00 0.00 C ATOM 122 O GLY A 8 6.440 -8.890 4.280 1.00 0.00 O ATOM 0 H GLY A 8 7.793 -10.416 0.473 1.00 0.00 H new ATOM 0 HA2 GLY A 8 6.541 -10.993 2.878 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.253 -10.685 2.658 1.00 0.00 H new ATOM 126 N ILE A 9 7.774 -7.925 2.729 1.00 0.00 N ATOM 127 CA ILE A 9 7.731 -6.611 3.348 1.00 0.00 C ATOM 128 C ILE A 9 6.273 -6.181 3.521 1.00 0.00 C ATOM 129 O ILE A 9 5.838 -5.881 4.632 1.00 0.00 O ATOM 130 CB ILE A 9 8.576 -5.616 2.550 1.00 0.00 C ATOM 131 CG1 ILE A 9 10.061 -5.758 2.893 1.00 0.00 C ATOM 132 CG2 ILE A 9 8.075 -4.185 2.754 1.00 0.00 C ATOM 133 CD1 ILE A 9 10.924 -4.915 1.953 1.00 0.00 C ATOM 0 H ILE A 9 8.336 -7.978 1.880 1.00 0.00 H new ATOM 0 HA ILE A 9 8.174 -6.643 4.344 1.00 0.00 H new ATOM 0 HB ILE A 9 8.467 -5.848 1.491 1.00 0.00 H new ATOM 0 HG12 ILE A 9 10.231 -5.448 3.924 1.00 0.00 H new ATOM 0 HG13 ILE A 9 10.356 -6.805 2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 9 8.693 -3.497 2.176 1.00 0.00 H new ATOM 0 HG22 ILE A 9 7.040 -4.111 2.421 1.00 0.00 H new ATOM 0 HG23 ILE A 9 8.135 -3.926 3.811 1.00 0.00 H new ATOM 0 HD11 ILE A 9 11.974 -5.034 2.219 1.00 0.00 H new ATOM 0 HD12 ILE A 9 10.770 -5.243 0.925 1.00 0.00 H new ATOM 0 HD13 ILE A 9 10.643 -3.866 2.044 1.00 0.00 H new ATOM 145 N PHE A 10 5.559 -6.164 2.405 1.00 0.00 N ATOM 146 CA PHE A 10 4.159 -5.775 2.419 1.00 0.00 C ATOM 147 C PHE A 10 3.388 -6.541 3.496 1.00 0.00 C ATOM 148 O PHE A 10 2.676 -5.941 4.300 1.00 0.00 O ATOM 149 CB PHE A 10 3.582 -6.129 1.047 1.00 0.00 C ATOM 150 CG PHE A 10 2.064 -6.312 1.039 1.00 0.00 C ATOM 151 CD1 PHE A 10 1.521 -7.503 1.408 1.00 0.00 C ATOM 152 CD2 PHE A 10 1.256 -5.285 0.661 1.00 0.00 C ATOM 153 CE1 PHE A 10 0.111 -7.674 1.401 1.00 0.00 C ATOM 154 CE2 PHE A 10 -0.153 -5.455 0.654 1.00 0.00 C ATOM 155 CZ PHE A 10 -0.696 -6.646 1.024 1.00 0.00 C ATOM 0 H PHE A 10 5.924 -6.413 1.486 1.00 0.00 H new ATOM 0 HA PHE A 10 4.071 -4.710 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.847 -5.343 0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.050 -7.048 0.693 1.00 0.00 H new ATOM 0 HD1 PHE A 10 2.162 -8.319 1.706 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.687 -4.340 0.366 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -0.320 -8.620 1.695 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.794 -4.639 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.768 -6.775 1.018 1.00 0.00 H new ATOM 165 N GLU A 11 3.555 -7.855 3.477 1.00 0.00 N ATOM 166 CA GLU A 11 2.884 -8.709 4.442 1.00 0.00 C ATOM 167 C GLU A 11 3.317 -8.346 5.864 1.00 0.00 C ATOM 168 O GLU A 11 2.478 -8.164 6.744 1.00 0.00 O ATOM 169 CB GLU A 11 3.153 -10.186 4.147 1.00 0.00 C ATOM 170 CG GLU A 11 1.843 -10.960 3.984 1.00 0.00 C ATOM 171 CD GLU A 11 1.889 -12.283 4.751 1.00 0.00 C ATOM 172 OE1 GLU A 11 1.999 -12.215 5.994 1.00 0.00 O ATOM 173 OE2 GLU A 11 1.813 -13.333 4.077 1.00 0.00 O ATOM 0 H GLU A 11 4.146 -8.349 2.808 1.00 0.00 H new ATOM 0 HA GLU A 11 1.810 -8.545 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.748 -10.277 3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.739 -10.621 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 11 1.012 -10.355 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.660 -11.154 2.927 1.00 0.00 H new ATOM 180 N LYS A 12 4.626 -8.252 6.044 1.00 0.00 N ATOM 181 CA LYS A 12 5.181 -7.914 7.343 1.00 0.00 C ATOM 182 C LYS A 12 4.362 -6.780 7.963 1.00 0.00 C ATOM 183 O LYS A 12 4.267 -6.674 9.185 1.00 0.00 O ATOM 184 CB LYS A 12 6.674 -7.601 7.224 1.00 0.00 C ATOM 185 CG LYS A 12 7.420 -7.993 8.501 1.00 0.00 C ATOM 186 CD LYS A 12 8.294 -6.841 9.001 1.00 0.00 C ATOM 187 CE LYS A 12 9.507 -7.368 9.770 1.00 0.00 C ATOM 188 NZ LYS A 12 10.763 -6.927 9.122 1.00 0.00 N ATOM 0 H LYS A 12 5.319 -8.404 5.311 1.00 0.00 H new ATOM 0 HA LYS A 12 5.111 -8.765 8.020 1.00 0.00 H new ATOM 0 HB2 LYS A 12 7.095 -8.137 6.374 1.00 0.00 H new ATOM 0 HB3 LYS A 12 6.812 -6.537 7.030 1.00 0.00 H new ATOM 0 HG2 LYS A 12 6.704 -8.273 9.274 1.00 0.00 H new ATOM 0 HG3 LYS A 12 8.041 -8.868 8.310 1.00 0.00 H new ATOM 0 HD2 LYS A 12 8.628 -6.240 8.156 1.00 0.00 H new ATOM 0 HD3 LYS A 12 7.706 -6.187 9.645 1.00 0.00 H new ATOM 0 HE2 LYS A 12 9.476 -7.010 10.799 1.00 0.00 H new ATOM 0 HE3 LYS A 12 9.474 -8.457 9.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.577 -7.293 9.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.797 -7.290 8.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.799 -5.888 9.106 1.00 0.00 H new ATOM 202 N TYR A 13 3.791 -5.960 7.092 1.00 0.00 N ATOM 203 CA TYR A 13 2.984 -4.838 7.539 1.00 0.00 C ATOM 204 C TYR A 13 1.498 -5.201 7.549 1.00 0.00 C ATOM 205 O TYR A 13 0.804 -4.965 8.537 1.00 0.00 O ATOM 206 CB TYR A 13 3.216 -3.720 6.520 1.00 0.00 C ATOM 207 CG TYR A 13 4.397 -2.807 6.857 1.00 0.00 C ATOM 208 CD1 TYR A 13 5.685 -3.209 6.567 1.00 0.00 C ATOM 209 CD2 TYR A 13 4.174 -1.581 7.451 1.00 0.00 C ATOM 210 CE1 TYR A 13 6.796 -2.350 6.884 1.00 0.00 C ATOM 211 CE2 TYR A 13 5.285 -0.722 7.768 1.00 0.00 C ATOM 212 CZ TYR A 13 6.541 -1.149 7.469 1.00 0.00 C ATOM 213 OH TYR A 13 7.591 -0.337 7.768 1.00 0.00 O ATOM 0 H TYR A 13 3.872 -6.051 6.079 1.00 0.00 H new ATOM 0 HA TYR A 13 3.261 -4.546 8.552 1.00 0.00 H new ATOM 0 HB2 TYR A 13 3.382 -4.165 5.539 1.00 0.00 H new ATOM 0 HB3 TYR A 13 2.312 -3.116 6.447 1.00 0.00 H new ATOM 0 HD1 TYR A 13 5.860 -4.168 6.102 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.166 -1.266 7.678 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.809 -2.652 6.662 1.00 0.00 H new ATOM 0 HE2 TYR A 13 5.125 0.240 8.233 1.00 0.00 H new ATOM 0 HH TYR A 13 7.260 0.488 8.181 1.00 0.00 H new ATOM 223 N ALA A 14 1.053 -5.771 6.438 1.00 0.00 N ATOM 224 CA ALA A 14 -0.338 -6.169 6.307 1.00 0.00 C ATOM 225 C ALA A 14 -0.717 -7.078 7.478 1.00 0.00 C ATOM 226 O ALA A 14 -1.859 -7.067 7.933 1.00 0.00 O ATOM 227 CB ALA A 14 -0.550 -6.847 4.951 1.00 0.00 C ATOM 0 H ALA A 14 1.631 -5.966 5.621 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.991 -5.297 6.342 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.594 -7.146 4.853 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -0.295 -6.151 4.152 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.088 -7.728 4.881 1.00 0.00 H new ATOM 233 N ALA A 15 0.265 -7.843 7.933 1.00 0.00 N ATOM 234 CA ALA A 15 0.049 -8.757 9.042 1.00 0.00 C ATOM 235 C ALA A 15 -0.160 -7.952 10.326 1.00 0.00 C ATOM 236 O ALA A 15 -0.956 -8.337 11.182 1.00 0.00 O ATOM 237 CB ALA A 15 1.231 -9.722 9.146 1.00 0.00 C ATOM 0 H ALA A 15 1.212 -7.849 7.554 1.00 0.00 H new ATOM 0 HA ALA A 15 -0.847 -9.355 8.877 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.069 -10.407 9.978 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.320 -10.290 8.220 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.148 -9.157 9.315 1.00 0.00 H new ATOM 243 N LYS A 16 0.567 -6.848 10.421 1.00 0.00 N ATOM 244 CA LYS A 16 0.471 -5.986 11.586 1.00 0.00 C ATOM 245 C LYS A 16 -0.990 -5.586 11.800 1.00 0.00 C ATOM 246 O LYS A 16 -1.583 -5.915 12.826 1.00 0.00 O ATOM 247 CB LYS A 16 1.421 -4.794 11.450 1.00 0.00 C ATOM 248 CG LYS A 16 2.534 -4.858 12.498 1.00 0.00 C ATOM 249 CD LYS A 16 3.394 -3.593 12.463 1.00 0.00 C ATOM 250 CE LYS A 16 3.866 -3.211 13.867 1.00 0.00 C ATOM 251 NZ LYS A 16 3.696 -1.758 14.093 1.00 0.00 N ATOM 0 H LYS A 16 1.225 -6.531 9.709 1.00 0.00 H new ATOM 0 HA LYS A 16 0.791 -6.519 12.482 1.00 0.00 H new ATOM 0 HB2 LYS A 16 1.857 -4.784 10.451 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.863 -3.865 11.563 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.098 -4.978 13.490 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.159 -5.732 12.317 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.257 -3.754 11.817 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.821 -2.772 12.032 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.300 -3.770 14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.914 -3.484 13.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.021 -1.515 15.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.256 -1.230 13.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.692 -1.506 13.994 1.00 0.00 H new ATOM 265 N GLU A 17 -1.529 -4.883 10.815 1.00 0.00 N ATOM 266 CA GLU A 17 -2.909 -4.435 10.882 1.00 0.00 C ATOM 267 C GLU A 17 -3.787 -5.280 9.957 1.00 0.00 C ATOM 268 O GLU A 17 -3.468 -5.456 8.782 1.00 0.00 O ATOM 269 CB GLU A 17 -3.021 -2.949 10.538 1.00 0.00 C ATOM 270 CG GLU A 17 -2.321 -2.088 11.591 1.00 0.00 C ATOM 271 CD GLU A 17 -3.179 -0.879 11.970 1.00 0.00 C ATOM 272 OE1 GLU A 17 -3.918 -0.406 11.080 1.00 0.00 O ATOM 273 OE2 GLU A 17 -3.076 -0.454 13.141 1.00 0.00 O ATOM 0 H GLU A 17 -1.034 -4.612 9.965 1.00 0.00 H new ATOM 0 HA GLU A 17 -3.263 -4.564 11.905 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -2.578 -2.764 9.559 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -4.071 -2.666 10.471 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -2.118 -2.687 12.479 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.358 -1.749 11.208 1.00 0.00 H new ATOM 280 N GLY A 18 -4.877 -5.780 10.521 1.00 0.00 N ATOM 281 CA GLY A 18 -5.803 -6.602 9.761 1.00 0.00 C ATOM 282 C GLY A 18 -5.081 -7.785 9.113 1.00 0.00 C ATOM 283 O GLY A 18 -3.871 -7.941 9.271 1.00 0.00 O ATOM 0 H GLY A 18 -5.139 -5.632 11.495 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -6.593 -6.968 10.417 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -6.283 -5.998 8.991 1.00 0.00 H new ATOM 287 N ASP A 19 -5.854 -8.589 8.398 1.00 0.00 N ATOM 288 CA ASP A 19 -5.304 -9.753 7.725 1.00 0.00 C ATOM 289 C ASP A 19 -4.011 -9.359 7.009 1.00 0.00 C ATOM 290 O ASP A 19 -3.739 -8.175 6.816 1.00 0.00 O ATOM 291 CB ASP A 19 -6.278 -10.295 6.677 1.00 0.00 C ATOM 292 CG ASP A 19 -6.640 -11.773 6.833 1.00 0.00 C ATOM 293 OD1 ASP A 19 -6.572 -12.255 7.985 1.00 0.00 O ATOM 294 OD2 ASP A 19 -6.976 -12.388 5.798 1.00 0.00 O ATOM 0 H ASP A 19 -6.857 -8.457 8.270 1.00 0.00 H new ATOM 0 HA ASP A 19 -5.119 -10.521 8.476 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -7.194 -9.706 6.716 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -5.844 -10.145 5.688 1.00 0.00 H new ATOM 299 N PRO A 20 -3.226 -10.401 6.625 1.00 0.00 N ATOM 300 CA PRO A 20 -1.967 -10.176 5.935 1.00 0.00 C ATOM 301 C PRO A 20 -2.205 -9.773 4.478 1.00 0.00 C ATOM 302 O PRO A 20 -1.264 -9.431 3.763 1.00 0.00 O ATOM 303 CB PRO A 20 -1.204 -11.483 6.073 1.00 0.00 C ATOM 304 CG PRO A 20 -2.241 -12.537 6.426 1.00 0.00 C ATOM 305 CD PRO A 20 -3.515 -11.817 6.837 1.00 0.00 C ATOM 0 HA PRO A 20 -1.396 -9.350 6.360 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -0.691 -11.735 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -0.442 -11.410 6.849 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.429 -13.189 5.573 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -1.881 -13.170 7.237 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -4.365 -12.142 6.237 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -3.765 -12.018 7.879 1.00 0.00 H new ATOM 313 N ASN A 21 -3.468 -9.827 4.081 1.00 0.00 N ATOM 314 CA ASN A 21 -3.842 -9.472 2.723 1.00 0.00 C ATOM 315 C ASN A 21 -4.535 -8.109 2.729 1.00 0.00 C ATOM 316 O ASN A 21 -4.954 -7.616 1.682 1.00 0.00 O ATOM 317 CB ASN A 21 -4.815 -10.495 2.134 1.00 0.00 C ATOM 318 CG ASN A 21 -4.072 -11.549 1.311 1.00 0.00 C ATOM 319 OD1 ASN A 21 -3.636 -11.309 0.197 1.00 0.00 O ATOM 320 ND2 ASN A 21 -3.952 -12.725 1.919 1.00 0.00 N ATOM 0 H ASN A 21 -4.246 -10.112 4.677 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.935 -9.448 2.119 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.369 -10.980 2.938 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -5.546 -9.987 1.505 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -3.471 -13.494 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.341 -12.858 2.853 1.00 0.00 H new ATOM 327 N GLN A 22 -4.636 -7.537 3.920 1.00 0.00 N ATOM 328 CA GLN A 22 -5.271 -6.240 4.076 1.00 0.00 C ATOM 329 C GLN A 22 -4.269 -5.219 4.618 1.00 0.00 C ATOM 330 O GLN A 22 -3.437 -5.549 5.462 1.00 0.00 O ATOM 331 CB GLN A 22 -6.500 -6.337 4.982 1.00 0.00 C ATOM 332 CG GLN A 22 -7.687 -6.945 4.234 1.00 0.00 C ATOM 333 CD GLN A 22 -9.007 -6.609 4.931 1.00 0.00 C ATOM 334 OE1 GLN A 22 -9.422 -7.258 5.877 1.00 0.00 O ATOM 335 NE2 GLN A 22 -9.640 -5.560 4.414 1.00 0.00 N ATOM 0 H GLN A 22 -4.288 -7.949 4.786 1.00 0.00 H new ATOM 0 HA GLN A 22 -5.608 -5.903 3.096 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -6.265 -6.946 5.855 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -6.766 -5.345 5.348 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -7.707 -6.570 3.211 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -7.568 -8.027 4.175 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -9.237 -5.061 3.621 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -10.529 -5.255 4.810 1.00 0.00 H new ATOM 344 N LEU A 23 -4.382 -4.000 4.112 1.00 0.00 N ATOM 345 CA LEU A 23 -3.496 -2.929 4.536 1.00 0.00 C ATOM 346 C LEU A 23 -4.306 -1.868 5.284 1.00 0.00 C ATOM 347 O LEU A 23 -5.531 -1.949 5.349 1.00 0.00 O ATOM 348 CB LEU A 23 -2.714 -2.377 3.342 1.00 0.00 C ATOM 349 CG LEU A 23 -1.493 -3.190 2.906 1.00 0.00 C ATOM 350 CD1 LEU A 23 -0.202 -2.572 3.446 1.00 0.00 C ATOM 351 CD2 LEU A 23 -1.639 -4.658 3.311 1.00 0.00 C ATOM 0 H LEU A 23 -5.073 -3.730 3.412 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.747 -3.307 5.232 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.394 -2.296 2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.385 -1.366 3.584 1.00 0.00 H new ATOM 0 HG LEU A 23 -1.433 -3.161 1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.650 -3.169 3.122 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.099 -1.556 3.066 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.237 -2.551 4.535 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.758 -5.214 2.989 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.737 -4.729 4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.526 -5.079 2.838 1.00 0.00 H new ATOM 363 N SER A 24 -3.588 -0.897 5.830 1.00 0.00 N ATOM 364 CA SER A 24 -4.225 0.178 6.571 1.00 0.00 C ATOM 365 C SER A 24 -3.559 1.513 6.232 1.00 0.00 C ATOM 366 O SER A 24 -2.383 1.551 5.871 1.00 0.00 O ATOM 367 CB SER A 24 -4.162 -0.079 8.078 1.00 0.00 C ATOM 368 OG SER A 24 -4.561 -1.406 8.410 1.00 0.00 O ATOM 0 H SER A 24 -2.572 -0.833 5.774 1.00 0.00 H new ATOM 0 HA SER A 24 -5.275 0.219 6.280 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.146 0.094 8.433 1.00 0.00 H new ATOM 0 HB3 SER A 24 -4.806 0.633 8.595 1.00 0.00 H new ATOM 0 HG SER A 24 -5.228 -1.377 9.127 1.00 0.00 H new ATOM 374 N LYS A 25 -4.339 2.576 6.360 1.00 0.00 N ATOM 375 CA LYS A 25 -3.839 3.910 6.071 1.00 0.00 C ATOM 376 C LYS A 25 -2.512 4.122 6.802 1.00 0.00 C ATOM 377 O LYS A 25 -1.486 4.376 6.172 1.00 0.00 O ATOM 378 CB LYS A 25 -4.899 4.963 6.403 1.00 0.00 C ATOM 379 CG LYS A 25 -4.493 6.337 5.867 1.00 0.00 C ATOM 380 CD LYS A 25 -4.805 7.437 6.884 1.00 0.00 C ATOM 381 CE LYS A 25 -5.805 8.444 6.313 1.00 0.00 C ATOM 382 NZ LYS A 25 -6.849 8.761 7.313 1.00 0.00 N ATOM 0 H LYS A 25 -5.313 2.541 6.660 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.637 4.019 5.005 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.856 4.669 5.972 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.038 5.016 7.483 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -3.428 6.341 5.637 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -5.021 6.538 4.935 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -5.210 6.992 7.793 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -3.885 7.951 7.163 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -5.285 9.356 6.020 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.266 8.037 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -7.520 9.446 6.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.357 7.891 7.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -6.405 9.169 8.161 1.00 0.00 H new ATOM 396 N GLU A 26 -2.574 4.009 8.120 1.00 0.00 N ATOM 397 CA GLU A 26 -1.389 4.184 8.943 1.00 0.00 C ATOM 398 C GLU A 26 -0.276 3.242 8.480 1.00 0.00 C ATOM 399 O GLU A 26 0.878 3.650 8.362 1.00 0.00 O ATOM 400 CB GLU A 26 -1.712 3.966 10.423 1.00 0.00 C ATOM 401 CG GLU A 26 -1.356 5.203 11.250 1.00 0.00 C ATOM 402 CD GLU A 26 0.143 5.249 11.550 1.00 0.00 C ATOM 403 OE1 GLU A 26 0.910 5.440 10.582 1.00 0.00 O ATOM 404 OE2 GLU A 26 0.489 5.091 12.741 1.00 0.00 O ATOM 0 H GLU A 26 -3.426 3.798 8.639 1.00 0.00 H new ATOM 0 HA GLU A 26 -1.040 5.210 8.828 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -2.772 3.740 10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.160 3.103 10.796 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -1.650 6.103 10.710 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.917 5.194 12.184 1.00 0.00 H new ATOM 411 N GLU A 27 -0.663 1.999 8.231 1.00 0.00 N ATOM 412 CA GLU A 27 0.288 0.996 7.783 1.00 0.00 C ATOM 413 C GLU A 27 0.933 1.427 6.464 1.00 0.00 C ATOM 414 O GLU A 27 2.136 1.675 6.409 1.00 0.00 O ATOM 415 CB GLU A 27 -0.383 -0.372 7.644 1.00 0.00 C ATOM 416 CG GLU A 27 -0.569 -1.033 9.012 1.00 0.00 C ATOM 417 CD GLU A 27 -0.159 -2.506 8.969 1.00 0.00 C ATOM 418 OE1 GLU A 27 -0.868 -3.272 8.281 1.00 0.00 O ATOM 419 OE2 GLU A 27 0.853 -2.833 9.625 1.00 0.00 O ATOM 0 H GLU A 27 -1.621 1.664 8.331 1.00 0.00 H new ATOM 0 HA GLU A 27 1.072 0.905 8.535 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -1.351 -0.258 7.156 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.222 -1.015 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.027 -0.507 9.758 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.611 -0.951 9.321 1.00 0.00 H new ATOM 426 N LEU A 28 0.103 1.502 5.434 1.00 0.00 N ATOM 427 CA LEU A 28 0.578 1.899 4.119 1.00 0.00 C ATOM 428 C LEU A 28 1.500 3.111 4.258 1.00 0.00 C ATOM 429 O LEU A 28 2.616 3.109 3.742 1.00 0.00 O ATOM 430 CB LEU A 28 -0.601 2.128 3.171 1.00 0.00 C ATOM 431 CG LEU A 28 -0.301 1.974 1.678 1.00 0.00 C ATOM 432 CD1 LEU A 28 0.836 0.976 1.448 1.00 0.00 C ATOM 433 CD2 LEU A 28 -1.564 1.593 0.902 1.00 0.00 C ATOM 0 H LEU A 28 -0.895 1.295 5.483 1.00 0.00 H new ATOM 0 HA LEU A 28 1.168 1.100 3.670 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.395 1.430 3.436 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.989 3.132 3.342 1.00 0.00 H new ATOM 0 HG LEU A 28 0.034 2.938 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.029 0.885 0.379 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.737 1.328 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.553 0.003 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.324 1.490 -0.156 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.952 0.647 1.280 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.317 2.371 1.029 1.00 0.00 H new ATOM 445 N LYS A 29 0.999 4.118 4.958 1.00 0.00 N ATOM 446 CA LYS A 29 1.764 5.335 5.172 1.00 0.00 C ATOM 447 C LYS A 29 3.222 4.972 5.458 1.00 0.00 C ATOM 448 O LYS A 29 4.126 5.412 4.750 1.00 0.00 O ATOM 449 CB LYS A 29 1.117 6.190 6.264 1.00 0.00 C ATOM 450 CG LYS A 29 1.816 7.545 6.386 1.00 0.00 C ATOM 451 CD LYS A 29 0.831 8.634 6.814 1.00 0.00 C ATOM 452 CE LYS A 29 1.168 9.971 6.151 1.00 0.00 C ATOM 453 NZ LYS A 29 -0.039 10.821 6.055 1.00 0.00 N ATOM 0 H LYS A 29 0.072 4.116 5.384 1.00 0.00 H new ATOM 0 HA LYS A 29 1.759 5.951 4.273 1.00 0.00 H new ATOM 0 HB2 LYS A 29 0.062 6.340 6.036 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.165 5.665 7.218 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.626 7.476 7.112 1.00 0.00 H new ATOM 0 HG3 LYS A 29 2.267 7.813 5.430 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.183 8.337 6.547 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.855 8.745 7.898 1.00 0.00 H new ATOM 0 HE2 LYS A 29 1.937 10.485 6.727 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.578 9.797 5.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.054 11.299 5.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.889 10.230 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.023 11.533 6.813 1.00 0.00 H new ATOM 467 N LEU A 30 3.406 4.172 6.498 1.00 0.00 N ATOM 468 CA LEU A 30 4.739 3.744 6.887 1.00 0.00 C ATOM 469 C LEU A 30 5.437 3.108 5.683 1.00 0.00 C ATOM 470 O LEU A 30 6.510 3.552 5.277 1.00 0.00 O ATOM 471 CB LEU A 30 4.673 2.831 8.113 1.00 0.00 C ATOM 472 CG LEU A 30 4.033 3.434 9.365 1.00 0.00 C ATOM 473 CD1 LEU A 30 4.384 2.615 10.609 1.00 0.00 C ATOM 474 CD2 LEU A 30 4.417 4.907 9.521 1.00 0.00 C ATOM 0 H LEU A 30 2.654 3.809 7.083 1.00 0.00 H new ATOM 0 HA LEU A 30 5.341 4.601 7.189 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.118 1.932 7.843 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.687 2.517 8.363 1.00 0.00 H new ATOM 0 HG LEU A 30 2.950 3.394 9.249 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.917 3.065 11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.020 1.595 10.488 1.00 0.00 H new ATOM 0 HD13 LEU A 30 5.466 2.601 10.742 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.949 5.312 10.418 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.500 4.994 9.606 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.075 5.466 8.650 1.00 0.00 H new ATOM 486 N LEU A 31 4.800 2.078 5.146 1.00 0.00 N ATOM 487 CA LEU A 31 5.347 1.377 3.997 1.00 0.00 C ATOM 488 C LEU A 31 5.766 2.396 2.935 1.00 0.00 C ATOM 489 O LEU A 31 6.950 2.527 2.630 1.00 0.00 O ATOM 490 CB LEU A 31 4.354 0.330 3.487 1.00 0.00 C ATOM 491 CG LEU A 31 4.962 -0.879 2.772 1.00 0.00 C ATOM 492 CD1 LEU A 31 4.914 -2.122 3.662 1.00 0.00 C ATOM 493 CD2 LEU A 31 4.286 -1.114 1.420 1.00 0.00 C ATOM 0 H LEU A 31 3.910 1.712 5.485 1.00 0.00 H new ATOM 0 HA LEU A 31 6.243 0.824 4.279 1.00 0.00 H new ATOM 0 HB2 LEU A 31 3.769 -0.030 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.659 0.819 2.804 1.00 0.00 H new ATOM 0 HG LEU A 31 6.012 -0.666 2.573 1.00 0.00 H new ATOM 0 HD11 LEU A 31 5.352 -2.967 3.131 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.478 -1.937 4.576 1.00 0.00 H new ATOM 0 HD13 LEU A 31 3.878 -2.349 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 31 4.737 -1.979 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 31 3.222 -1.297 1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.416 -0.234 0.790 1.00 0.00 H new ATOM 505 N LEU A 32 4.772 3.090 2.401 1.00 0.00 N ATOM 506 CA LEU A 32 5.023 4.093 1.380 1.00 0.00 C ATOM 507 C LEU A 32 6.142 5.024 1.851 1.00 0.00 C ATOM 508 O LEU A 32 6.799 5.671 1.037 1.00 0.00 O ATOM 509 CB LEU A 32 3.728 4.822 1.015 1.00 0.00 C ATOM 510 CG LEU A 32 2.590 3.945 0.488 1.00 0.00 C ATOM 511 CD1 LEU A 32 1.316 4.766 0.283 1.00 0.00 C ATOM 512 CD2 LEU A 32 3.010 3.210 -0.786 1.00 0.00 C ATOM 0 H LEU A 32 3.791 2.978 2.656 1.00 0.00 H new ATOM 0 HA LEU A 32 5.366 3.622 0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.372 5.353 1.898 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.958 5.575 0.262 1.00 0.00 H new ATOM 0 HG LEU A 32 2.367 3.186 1.238 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.523 4.119 -0.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.009 5.204 1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.507 5.561 -0.438 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.183 2.594 -1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.276 3.936 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.870 2.575 -0.573 1.00 0.00 H new ATOM 524 N GLN A 33 6.324 5.063 3.162 1.00 0.00 N ATOM 525 CA GLN A 33 7.352 5.904 3.751 1.00 0.00 C ATOM 526 C GLN A 33 8.740 5.342 3.441 1.00 0.00 C ATOM 527 O GLN A 33 9.574 6.027 2.850 1.00 0.00 O ATOM 528 CB GLN A 33 7.144 6.050 5.260 1.00 0.00 C ATOM 529 CG GLN A 33 7.303 7.508 5.697 1.00 0.00 C ATOM 530 CD GLN A 33 7.193 7.639 7.217 1.00 0.00 C ATOM 531 OE1 GLN A 33 8.170 7.568 7.944 1.00 0.00 O ATOM 532 NE2 GLN A 33 5.953 7.835 7.655 1.00 0.00 N ATOM 0 H GLN A 33 5.776 4.525 3.834 1.00 0.00 H new ATOM 0 HA GLN A 33 7.277 6.898 3.310 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.151 5.692 5.530 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.863 5.427 5.792 1.00 0.00 H new ATOM 0 HG2 GLN A 33 8.269 7.888 5.365 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.538 8.120 5.219 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.180 7.884 6.992 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.775 7.936 8.654 1.00 0.00 H new ATOM 541 N THR A 34 8.946 4.100 3.853 1.00 0.00 N ATOM 542 CA THR A 34 10.219 3.437 3.626 1.00 0.00 C ATOM 543 C THR A 34 10.232 2.762 2.254 1.00 0.00 C ATOM 544 O THR A 34 11.159 2.961 1.469 1.00 0.00 O ATOM 545 CB THR A 34 10.459 2.465 4.784 1.00 0.00 C ATOM 546 OG1 THR A 34 11.389 3.146 5.622 1.00 0.00 O ATOM 547 CG2 THR A 34 11.207 1.205 4.344 1.00 0.00 C ATOM 0 H THR A 34 8.252 3.535 4.343 1.00 0.00 H new ATOM 0 HA THR A 34 11.040 4.154 3.608 1.00 0.00 H new ATOM 0 HB THR A 34 9.503 2.184 5.227 1.00 0.00 H new ATOM 0 HG1 THR A 34 11.599 2.587 6.399 1.00 0.00 H new ATOM 0 HG21 THR A 34 11.352 0.549 5.203 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.626 0.684 3.583 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.177 1.483 3.932 1.00 0.00 H new ATOM 555 N GLU A 35 9.194 1.977 2.005 1.00 0.00 N ATOM 556 CA GLU A 35 9.075 1.272 0.741 1.00 0.00 C ATOM 557 C GLU A 35 9.337 2.226 -0.426 1.00 0.00 C ATOM 558 O GLU A 35 10.314 2.065 -1.156 1.00 0.00 O ATOM 559 CB GLU A 35 7.701 0.610 0.610 1.00 0.00 C ATOM 560 CG GLU A 35 7.512 0.010 -0.785 1.00 0.00 C ATOM 561 CD GLU A 35 6.218 0.513 -1.427 1.00 0.00 C ATOM 562 OE1 GLU A 35 5.849 1.670 -1.131 1.00 0.00 O ATOM 563 OE2 GLU A 35 5.627 -0.271 -2.201 1.00 0.00 O ATOM 0 H GLU A 35 8.428 1.814 2.658 1.00 0.00 H new ATOM 0 HA GLU A 35 9.827 0.483 0.715 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.597 -0.171 1.363 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.919 1.345 0.803 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.361 0.273 -1.416 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.490 -1.078 -0.717 1.00 0.00 H new ATOM 570 N PHE A 36 8.448 3.198 -0.566 1.00 0.00 N ATOM 571 CA PHE A 36 8.572 4.178 -1.632 1.00 0.00 C ATOM 572 C PHE A 36 8.003 5.531 -1.201 1.00 0.00 C ATOM 573 O PHE A 36 6.812 5.789 -1.365 1.00 0.00 O ATOM 574 CB PHE A 36 7.761 3.652 -2.818 1.00 0.00 C ATOM 575 CG PHE A 36 8.565 2.777 -3.782 1.00 0.00 C ATOM 576 CD1 PHE A 36 9.647 3.291 -4.427 1.00 0.00 C ATOM 577 CD2 PHE A 36 8.199 1.484 -3.993 1.00 0.00 C ATOM 578 CE1 PHE A 36 10.393 2.479 -5.321 1.00 0.00 C ATOM 579 CE2 PHE A 36 8.945 0.672 -4.887 1.00 0.00 C ATOM 580 CZ PHE A 36 10.026 1.186 -5.532 1.00 0.00 C ATOM 0 H PHE A 36 7.639 3.328 0.041 1.00 0.00 H new ATOM 0 HA PHE A 36 9.622 4.320 -1.887 1.00 0.00 H new ATOM 0 HB2 PHE A 36 6.916 3.077 -2.440 1.00 0.00 H new ATOM 0 HB3 PHE A 36 7.350 4.499 -3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 36 9.938 4.317 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 36 7.341 1.075 -3.480 1.00 0.00 H new ATOM 0 HE1 PHE A 36 11.251 2.887 -5.833 1.00 0.00 H new ATOM 0 HE2 PHE A 36 8.654 -0.354 -5.055 1.00 0.00 H new ATOM 0 HZ PHE A 36 10.593 0.568 -6.212 1.00 0.00 H new ATOM 590 N PRO A 37 8.906 6.383 -0.644 1.00 0.00 N ATOM 591 CA PRO A 37 8.506 7.703 -0.188 1.00 0.00 C ATOM 592 C PRO A 37 8.292 8.650 -1.371 1.00 0.00 C ATOM 593 O PRO A 37 7.735 9.735 -1.209 1.00 0.00 O ATOM 594 CB PRO A 37 9.624 8.154 0.739 1.00 0.00 C ATOM 595 CG PRO A 37 10.820 7.278 0.406 1.00 0.00 C ATOM 596 CD PRO A 37 10.325 6.112 -0.434 1.00 0.00 C ATOM 0 HA PRO A 37 7.550 7.696 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 37 9.857 9.208 0.586 1.00 0.00 H new ATOM 0 HB3 PRO A 37 9.335 8.040 1.784 1.00 0.00 H new ATOM 0 HG2 PRO A 37 11.571 7.849 -0.139 1.00 0.00 H new ATOM 0 HG3 PRO A 37 11.294 6.917 1.318 1.00 0.00 H new ATOM 0 HD2 PRO A 37 10.861 6.051 -1.381 1.00 0.00 H new ATOM 0 HD3 PRO A 37 10.475 5.162 0.079 1.00 0.00 H new ATOM 604 N SER A 38 8.745 8.205 -2.533 1.00 0.00 N ATOM 605 CA SER A 38 8.610 8.999 -3.743 1.00 0.00 C ATOM 606 C SER A 38 7.130 9.178 -4.088 1.00 0.00 C ATOM 607 O SER A 38 6.723 10.240 -4.558 1.00 0.00 O ATOM 608 CB SER A 38 9.353 8.351 -4.913 1.00 0.00 C ATOM 609 OG SER A 38 10.065 9.310 -5.690 1.00 0.00 O ATOM 0 H SER A 38 9.206 7.305 -2.663 1.00 0.00 H new ATOM 0 HA SER A 38 9.056 9.977 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.050 7.604 -4.531 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.640 7.826 -5.549 1.00 0.00 H new ATOM 0 HG SER A 38 10.527 8.857 -6.426 1.00 0.00 H new ATOM 615 N LEU A 39 6.366 8.124 -3.842 1.00 0.00 N ATOM 616 CA LEU A 39 4.940 8.152 -4.120 1.00 0.00 C ATOM 617 C LEU A 39 4.267 9.181 -3.209 1.00 0.00 C ATOM 618 O LEU A 39 3.194 9.690 -3.529 1.00 0.00 O ATOM 619 CB LEU A 39 4.345 6.748 -4.008 1.00 0.00 C ATOM 620 CG LEU A 39 3.784 6.152 -5.301 1.00 0.00 C ATOM 621 CD1 LEU A 39 2.385 6.698 -5.595 1.00 0.00 C ATOM 622 CD2 LEU A 39 4.744 6.377 -6.471 1.00 0.00 C ATOM 0 H LEU A 39 6.708 7.245 -3.453 1.00 0.00 H new ATOM 0 HA LEU A 39 4.758 8.469 -5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 39 5.115 6.078 -3.627 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.547 6.771 -3.266 1.00 0.00 H new ATOM 0 HG LEU A 39 3.688 5.075 -5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.010 6.258 -6.519 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.715 6.443 -4.774 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.432 7.782 -5.702 1.00 0.00 H new ATOM 0 HD21 LEU A 39 4.321 5.944 -7.377 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.896 7.447 -6.617 1.00 0.00 H new ATOM 0 HD23 LEU A 39 5.700 5.901 -6.254 1.00 0.00 H new ATOM 634 N LEU A 40 4.925 9.455 -2.092 1.00 0.00 N ATOM 635 CA LEU A 40 4.403 10.413 -1.133 1.00 0.00 C ATOM 636 C LEU A 40 4.677 11.832 -1.635 1.00 0.00 C ATOM 637 O LEU A 40 4.312 12.807 -0.980 1.00 0.00 O ATOM 638 CB LEU A 40 4.967 10.135 0.262 1.00 0.00 C ATOM 639 CG LEU A 40 4.770 8.714 0.794 1.00 0.00 C ATOM 640 CD1 LEU A 40 5.662 8.455 2.010 1.00 0.00 C ATOM 641 CD2 LEU A 40 3.295 8.441 1.096 1.00 0.00 C ATOM 0 H LEU A 40 5.815 9.030 -1.830 1.00 0.00 H new ATOM 0 HA LEU A 40 3.322 10.310 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.035 10.353 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.507 10.831 0.963 1.00 0.00 H new ATOM 0 HG LEU A 40 5.074 8.013 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.502 7.438 2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.707 8.580 1.728 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.413 9.162 2.801 1.00 0.00 H new ATOM 0 HD21 LEU A 40 3.183 7.424 1.473 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.941 9.147 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.709 8.557 0.184 1.00 0.00 H new ATOM 653 N LYS A 41 5.317 11.902 -2.793 1.00 0.00 N ATOM 654 CA LYS A 41 5.643 13.186 -3.391 1.00 0.00 C ATOM 655 C LYS A 41 4.671 13.472 -4.537 1.00 0.00 C ATOM 656 O LYS A 41 4.243 14.610 -4.723 1.00 0.00 O ATOM 657 CB LYS A 41 7.115 13.224 -3.808 1.00 0.00 C ATOM 658 CG LYS A 41 8.031 13.277 -2.584 1.00 0.00 C ATOM 659 CD LYS A 41 9.283 14.109 -2.871 1.00 0.00 C ATOM 660 CE LYS A 41 9.570 15.082 -1.726 1.00 0.00 C ATOM 661 NZ LYS A 41 10.887 15.729 -1.913 1.00 0.00 N ATOM 0 H LYS A 41 5.618 11.091 -3.333 1.00 0.00 H new ATOM 0 HA LYS A 41 5.521 13.988 -2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 41 7.350 12.343 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.295 14.094 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.491 13.706 -1.740 1.00 0.00 H new ATOM 0 HG3 LYS A 41 8.320 12.266 -2.298 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.138 13.448 -3.014 1.00 0.00 H new ATOM 0 HD3 LYS A 41 9.150 14.664 -3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.789 15.841 -1.681 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.552 14.549 -0.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.066 16.386 -1.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 11.631 15.003 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 10.892 16.254 -2.811 1.00 0.00 H new ATOM 675 N GLY A 42 4.352 12.420 -5.276 1.00 0.00 N ATOM 676 CA GLY A 42 3.439 12.544 -6.399 1.00 0.00 C ATOM 677 C GLY A 42 2.183 13.322 -6.002 1.00 0.00 C ATOM 678 O GLY A 42 2.023 13.698 -4.842 1.00 0.00 O ATOM 0 H GLY A 42 4.710 11.478 -5.119 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.939 13.051 -7.224 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.159 11.553 -6.756 1.00 0.00 H new ATOM 682 N MET A 43 1.324 13.540 -6.987 1.00 0.00 N ATOM 683 CA MET A 43 0.087 14.267 -6.754 1.00 0.00 C ATOM 684 C MET A 43 -0.867 13.458 -5.874 1.00 0.00 C ATOM 685 O MET A 43 -1.841 13.996 -5.350 1.00 0.00 O ATOM 686 CB MET A 43 -0.587 14.570 -8.094 1.00 0.00 C ATOM 687 CG MET A 43 0.212 15.607 -8.887 1.00 0.00 C ATOM 688 SD MET A 43 -0.807 16.306 -10.176 1.00 0.00 S ATOM 689 CE MET A 43 0.448 16.700 -11.383 1.00 0.00 C ATOM 0 H MET A 43 1.460 13.226 -7.948 1.00 0.00 H new ATOM 0 HA MET A 43 0.326 15.197 -6.238 1.00 0.00 H new ATOM 0 HB2 MET A 43 -0.677 13.653 -8.676 1.00 0.00 H new ATOM 0 HB3 MET A 43 -1.598 14.939 -7.922 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.562 16.396 -8.221 1.00 0.00 H new ATOM 0 HG3 MET A 43 1.096 15.142 -9.323 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.019 17.149 -12.260 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.160 17.403 -10.951 1.00 0.00 H new ATOM 0 HE3 MET A 43 0.970 15.789 -11.676 1.00 0.00 H new ATOM 699 N SER A 44 -0.553 12.177 -5.738 1.00 0.00 N ATOM 700 CA SER A 44 -1.371 11.289 -4.930 1.00 0.00 C ATOM 701 C SER A 44 -0.719 11.078 -3.562 1.00 0.00 C ATOM 702 O SER A 44 0.189 10.260 -3.422 1.00 0.00 O ATOM 703 CB SER A 44 -1.581 9.945 -5.630 1.00 0.00 C ATOM 704 OG SER A 44 -1.958 10.107 -6.995 1.00 0.00 O ATOM 0 H SER A 44 0.256 11.734 -6.174 1.00 0.00 H new ATOM 0 HA SER A 44 -2.348 11.753 -4.793 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.663 9.360 -5.574 1.00 0.00 H new ATOM 0 HB3 SER A 44 -2.351 9.380 -5.106 1.00 0.00 H new ATOM 0 HG SER A 44 -2.081 9.226 -7.407 1.00 0.00 H new ATOM 710 N THR A 45 -1.209 11.829 -2.586 1.00 0.00 N ATOM 711 CA THR A 45 -0.686 11.735 -1.234 1.00 0.00 C ATOM 712 C THR A 45 -1.278 10.520 -0.517 1.00 0.00 C ATOM 713 O THR A 45 -2.214 9.896 -1.015 1.00 0.00 O ATOM 714 CB THR A 45 -0.972 13.059 -0.523 1.00 0.00 C ATOM 715 OG1 THR A 45 -2.387 13.199 -0.606 1.00 0.00 O ATOM 716 CG2 THR A 45 -0.433 14.266 -1.294 1.00 0.00 C ATOM 0 H THR A 45 -1.963 12.505 -2.705 1.00 0.00 H new ATOM 0 HA THR A 45 0.393 11.578 -1.237 1.00 0.00 H new ATOM 0 HB THR A 45 -0.531 13.038 0.474 1.00 0.00 H new ATOM 0 HG1 THR A 45 -2.660 14.032 -0.167 1.00 0.00 H new ATOM 0 HG21 THR A 45 -0.663 15.180 -0.746 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.647 14.173 -1.407 1.00 0.00 H new ATOM 0 HG23 THR A 45 -0.899 14.306 -2.279 1.00 0.00 H new ATOM 724 N LEU A 46 -0.707 10.220 0.641 1.00 0.00 N ATOM 725 CA LEU A 46 -1.167 9.091 1.431 1.00 0.00 C ATOM 726 C LEU A 46 -2.696 9.066 1.437 1.00 0.00 C ATOM 727 O LEU A 46 -3.308 8.139 0.909 1.00 0.00 O ATOM 728 CB LEU A 46 -0.547 9.129 2.830 1.00 0.00 C ATOM 729 CG LEU A 46 -0.518 7.799 3.587 1.00 0.00 C ATOM 730 CD1 LEU A 46 -1.819 7.580 4.361 1.00 0.00 C ATOM 731 CD2 LEU A 46 -0.211 6.637 2.641 1.00 0.00 C ATOM 0 H LEU A 46 0.070 10.739 1.050 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.835 8.154 0.985 1.00 0.00 H new ATOM 0 HB2 LEU A 46 0.475 9.497 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.097 9.854 3.430 1.00 0.00 H new ATOM 0 HG LEU A 46 0.289 7.840 4.319 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.772 6.628 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.955 8.388 5.080 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.658 7.568 3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.196 5.704 3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.979 6.583 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.761 6.795 2.174 1.00 0.00 H new ATOM 743 N ASP A 47 -3.271 10.097 2.039 1.00 0.00 N ATOM 744 CA ASP A 47 -4.718 10.206 2.120 1.00 0.00 C ATOM 745 C ASP A 47 -5.326 9.888 0.753 1.00 0.00 C ATOM 746 O ASP A 47 -6.263 9.097 0.655 1.00 0.00 O ATOM 747 CB ASP A 47 -5.143 11.623 2.509 1.00 0.00 C ATOM 748 CG ASP A 47 -6.321 11.700 3.482 1.00 0.00 C ATOM 749 OD1 ASP A 47 -7.465 11.559 3.000 1.00 0.00 O ATOM 750 OD2 ASP A 47 -6.050 11.899 4.686 1.00 0.00 O ATOM 0 H ASP A 47 -2.761 10.865 2.476 1.00 0.00 H new ATOM 0 HA ASP A 47 -5.067 9.505 2.878 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -4.289 12.133 2.955 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -5.403 12.170 1.603 1.00 0.00 H new ATOM 755 N GLU A 48 -4.768 10.520 -0.269 1.00 0.00 N ATOM 756 CA GLU A 48 -5.243 10.315 -1.627 1.00 0.00 C ATOM 757 C GLU A 48 -5.174 8.831 -1.994 1.00 0.00 C ATOM 758 O GLU A 48 -6.125 8.280 -2.548 1.00 0.00 O ATOM 759 CB GLU A 48 -4.448 11.164 -2.621 1.00 0.00 C ATOM 760 CG GLU A 48 -5.309 12.294 -3.187 1.00 0.00 C ATOM 761 CD GLU A 48 -4.859 12.670 -4.601 1.00 0.00 C ATOM 762 OE1 GLU A 48 -4.701 11.733 -5.414 1.00 0.00 O ATOM 763 OE2 GLU A 48 -4.685 13.885 -4.837 1.00 0.00 O ATOM 0 H GLU A 48 -3.991 11.175 -0.184 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.284 10.635 -1.680 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.571 11.582 -2.127 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -4.086 10.535 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -6.354 11.986 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.244 13.166 -2.537 1.00 0.00 H new ATOM 770 N LEU A 49 -4.040 8.226 -1.672 1.00 0.00 N ATOM 771 CA LEU A 49 -3.835 6.818 -1.962 1.00 0.00 C ATOM 772 C LEU A 49 -4.892 5.991 -1.226 1.00 0.00 C ATOM 773 O LEU A 49 -5.650 5.250 -1.850 1.00 0.00 O ATOM 774 CB LEU A 49 -2.398 6.407 -1.636 1.00 0.00 C ATOM 775 CG LEU A 49 -1.617 5.741 -2.771 1.00 0.00 C ATOM 776 CD1 LEU A 49 -0.803 6.772 -3.555 1.00 0.00 C ATOM 777 CD2 LEU A 49 -0.742 4.603 -2.240 1.00 0.00 C ATOM 0 H LEU A 49 -3.254 8.686 -1.213 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.963 6.626 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.851 7.294 -1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.420 5.724 -0.787 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.332 5.300 -3.465 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.258 6.272 -4.356 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.474 7.517 -3.983 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.096 7.263 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -0.198 4.146 -3.067 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.033 4.998 -1.513 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -1.372 3.853 -1.762 1.00 0.00 H new ATOM 789 N PHE A 50 -4.909 6.146 0.089 1.00 0.00 N ATOM 790 CA PHE A 50 -5.860 5.423 0.916 1.00 0.00 C ATOM 791 C PHE A 50 -7.233 5.361 0.245 1.00 0.00 C ATOM 792 O PHE A 50 -7.851 4.299 0.185 1.00 0.00 O ATOM 793 CB PHE A 50 -5.983 6.193 2.233 1.00 0.00 C ATOM 794 CG PHE A 50 -6.779 5.456 3.312 1.00 0.00 C ATOM 795 CD1 PHE A 50 -6.542 4.138 3.552 1.00 0.00 C ATOM 796 CD2 PHE A 50 -7.724 6.118 4.032 1.00 0.00 C ATOM 797 CE1 PHE A 50 -7.280 3.454 4.553 1.00 0.00 C ATOM 798 CE2 PHE A 50 -8.462 5.435 5.033 1.00 0.00 C ATOM 799 CZ PHE A 50 -8.225 4.117 5.273 1.00 0.00 C ATOM 0 H PHE A 50 -4.279 6.762 0.603 1.00 0.00 H new ATOM 0 HA PHE A 50 -5.516 4.401 1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -4.984 6.404 2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -6.459 7.154 2.037 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -5.792 3.612 2.980 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -7.913 7.164 3.842 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -7.091 2.408 4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -9.212 5.961 5.605 1.00 0.00 H new ATOM 0 HZ PHE A 50 -8.787 3.597 6.035 1.00 0.00 H new ATOM 809 N GLU A 51 -7.671 6.513 -0.242 1.00 0.00 N ATOM 810 CA GLU A 51 -8.960 6.603 -0.907 1.00 0.00 C ATOM 811 C GLU A 51 -8.879 5.993 -2.307 1.00 0.00 C ATOM 812 O GLU A 51 -9.742 5.208 -2.697 1.00 0.00 O ATOM 813 CB GLU A 51 -9.445 8.053 -0.967 1.00 0.00 C ATOM 814 CG GLU A 51 -10.881 8.172 -0.453 1.00 0.00 C ATOM 815 CD GLU A 51 -11.467 9.548 -0.775 1.00 0.00 C ATOM 816 OE1 GLU A 51 -10.919 10.537 -0.243 1.00 0.00 O ATOM 817 OE2 GLU A 51 -12.449 9.580 -1.548 1.00 0.00 O ATOM 0 H GLU A 51 -7.156 7.392 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.687 6.035 -0.327 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -8.788 8.685 -0.370 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.391 8.416 -1.993 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -11.498 7.395 -0.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -10.900 8.008 0.624 1.00 0.00 H new ATOM 824 N GLU A 52 -7.834 6.376 -3.026 1.00 0.00 N ATOM 825 CA GLU A 52 -7.629 5.877 -4.375 1.00 0.00 C ATOM 826 C GLU A 52 -7.615 4.347 -4.378 1.00 0.00 C ATOM 827 O GLU A 52 -8.396 3.717 -5.090 1.00 0.00 O ATOM 828 CB GLU A 52 -6.339 6.437 -4.977 1.00 0.00 C ATOM 829 CG GLU A 52 -6.430 6.503 -6.503 1.00 0.00 C ATOM 830 CD GLU A 52 -5.143 5.990 -7.151 1.00 0.00 C ATOM 831 OE1 GLU A 52 -4.079 6.171 -6.521 1.00 0.00 O ATOM 832 OE2 GLU A 52 -5.252 5.427 -8.262 1.00 0.00 O ATOM 0 H GLU A 52 -7.120 7.027 -2.699 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.458 6.216 -4.996 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.149 7.433 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.496 5.811 -4.686 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.276 5.908 -6.847 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.614 7.531 -6.816 1.00 0.00 H new ATOM 839 N LEU A 53 -6.720 3.793 -3.573 1.00 0.00 N ATOM 840 CA LEU A 53 -6.595 2.349 -3.474 1.00 0.00 C ATOM 841 C LEU A 53 -7.923 1.757 -2.996 1.00 0.00 C ATOM 842 O LEU A 53 -8.523 0.934 -3.685 1.00 0.00 O ATOM 843 CB LEU A 53 -5.402 1.974 -2.592 1.00 0.00 C ATOM 844 CG LEU A 53 -4.072 2.645 -2.941 1.00 0.00 C ATOM 845 CD1 LEU A 53 -3.197 2.808 -1.697 1.00 0.00 C ATOM 846 CD2 LEU A 53 -3.350 1.884 -4.055 1.00 0.00 C ATOM 0 H LEU A 53 -6.075 4.318 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.387 1.917 -4.453 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.649 2.218 -1.559 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.265 0.894 -2.641 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.283 3.645 -3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.258 3.287 -1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.718 3.425 -0.964 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.991 1.828 -1.266 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.408 2.382 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.151 0.863 -3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.976 1.864 -4.947 1.00 0.00 H new ATOM 858 N ASP A 54 -8.342 2.200 -1.820 1.00 0.00 N ATOM 859 CA ASP A 54 -9.588 1.725 -1.243 1.00 0.00 C ATOM 860 C ASP A 54 -10.764 2.374 -1.975 1.00 0.00 C ATOM 861 O ASP A 54 -10.600 2.909 -3.070 1.00 0.00 O ATOM 862 CB ASP A 54 -9.687 2.100 0.237 1.00 0.00 C ATOM 863 CG ASP A 54 -10.328 1.037 1.132 1.00 0.00 C ATOM 864 OD1 ASP A 54 -11.166 0.278 0.600 1.00 0.00 O ATOM 865 OD2 ASP A 54 -9.966 1.009 2.328 1.00 0.00 O ATOM 0 H ASP A 54 -7.841 2.883 -1.251 1.00 0.00 H new ATOM 0 HA ASP A 54 -9.614 0.640 -1.343 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.685 2.312 0.610 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -10.262 3.022 0.325 1.00 0.00 H new ATOM 947 N VAL A 61 -7.244 -1.241 2.579 1.00 0.00 N ATOM 948 CA VAL A 61 -6.501 -1.561 1.372 1.00 0.00 C ATOM 949 C VAL A 61 -6.073 -3.030 1.416 1.00 0.00 C ATOM 950 O VAL A 61 -6.206 -3.687 2.447 1.00 0.00 O ATOM 951 CB VAL A 61 -5.322 -0.600 1.212 1.00 0.00 C ATOM 952 CG1 VAL A 61 -4.610 -0.822 -0.124 1.00 0.00 C ATOM 953 CG2 VAL A 61 -5.777 0.854 1.356 1.00 0.00 C ATOM 0 HA VAL A 61 -7.130 -1.431 0.491 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.609 -0.809 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.776 -0.126 -0.212 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.236 -1.845 -0.171 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -5.311 -0.654 -0.942 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -4.920 1.517 1.238 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.519 1.081 0.590 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.217 1.002 2.342 1.00 0.00 H new ATOM 963 N SER A 62 -5.569 -3.500 0.285 1.00 0.00 N ATOM 964 CA SER A 62 -5.121 -4.879 0.182 1.00 0.00 C ATOM 965 C SER A 62 -4.031 -4.996 -0.885 1.00 0.00 C ATOM 966 O SER A 62 -3.893 -4.118 -1.736 1.00 0.00 O ATOM 967 CB SER A 62 -6.287 -5.814 -0.145 1.00 0.00 C ATOM 968 OG SER A 62 -7.240 -5.198 -1.007 1.00 0.00 O ATOM 0 H SER A 62 -5.461 -2.951 -0.568 1.00 0.00 H new ATOM 0 HA SER A 62 -4.710 -5.179 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.904 -6.720 -0.616 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.778 -6.118 0.779 1.00 0.00 H new ATOM 0 HG SER A 62 -7.968 -5.828 -1.193 1.00 0.00 H new ATOM 974 N PHE A 63 -3.284 -6.088 -0.805 1.00 0.00 N ATOM 975 CA PHE A 63 -2.211 -6.331 -1.754 1.00 0.00 C ATOM 976 C PHE A 63 -2.700 -6.157 -3.193 1.00 0.00 C ATOM 977 O PHE A 63 -2.042 -5.506 -4.002 1.00 0.00 O ATOM 978 CB PHE A 63 -1.756 -7.778 -1.553 1.00 0.00 C ATOM 979 CG PHE A 63 -0.271 -8.010 -1.840 1.00 0.00 C ATOM 980 CD1 PHE A 63 0.328 -7.370 -2.880 1.00 0.00 C ATOM 981 CD2 PHE A 63 0.449 -8.855 -1.055 1.00 0.00 C ATOM 982 CE1 PHE A 63 1.707 -7.585 -3.145 1.00 0.00 C ATOM 983 CE2 PHE A 63 1.827 -9.070 -1.321 1.00 0.00 C ATOM 984 CZ PHE A 63 2.427 -8.430 -2.360 1.00 0.00 C ATOM 0 H PHE A 63 -3.401 -6.814 -0.098 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.400 -5.622 -1.588 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -1.968 -8.075 -0.526 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.346 -8.427 -2.200 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -0.244 -6.699 -3.504 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.027 -9.363 -0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 63 2.184 -7.077 -3.970 1.00 0.00 H new ATOM 0 HE2 PHE A 63 2.399 -9.742 -0.698 1.00 0.00 H new ATOM 0 HZ PHE A 63 3.475 -8.593 -2.562 1.00 0.00 H new ATOM 994 N GLU A 64 -3.852 -6.752 -3.468 1.00 0.00 N ATOM 995 CA GLU A 64 -4.438 -6.671 -4.795 1.00 0.00 C ATOM 996 C GLU A 64 -4.635 -5.208 -5.200 1.00 0.00 C ATOM 997 O GLU A 64 -4.002 -4.731 -6.141 1.00 0.00 O ATOM 998 CB GLU A 64 -5.759 -7.440 -4.859 1.00 0.00 C ATOM 999 CG GLU A 64 -5.514 -8.931 -5.104 1.00 0.00 C ATOM 1000 CD GLU A 64 -6.016 -9.349 -6.487 1.00 0.00 C ATOM 1001 OE1 GLU A 64 -5.670 -8.638 -7.455 1.00 0.00 O ATOM 1002 OE2 GLU A 64 -6.734 -10.370 -6.545 1.00 0.00 O ATOM 0 H GLU A 64 -4.395 -7.292 -2.794 1.00 0.00 H new ATOM 0 HA GLU A 64 -3.751 -7.135 -5.503 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -6.307 -7.306 -3.927 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.382 -7.034 -5.656 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.449 -9.147 -5.019 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.020 -9.517 -4.337 1.00 0.00 H new ATOM 1009 N GLU A 65 -5.515 -4.539 -4.470 1.00 0.00 N ATOM 1010 CA GLU A 65 -5.803 -3.141 -4.742 1.00 0.00 C ATOM 1011 C GLU A 65 -4.514 -2.317 -4.708 1.00 0.00 C ATOM 1012 O GLU A 65 -4.417 -1.283 -5.367 1.00 0.00 O ATOM 1013 CB GLU A 65 -6.832 -2.591 -3.752 1.00 0.00 C ATOM 1014 CG GLU A 65 -8.252 -2.984 -4.162 1.00 0.00 C ATOM 1015 CD GLU A 65 -9.278 -2.462 -3.154 1.00 0.00 C ATOM 1016 OE1 GLU A 65 -8.979 -1.423 -2.526 1.00 0.00 O ATOM 1017 OE2 GLU A 65 -10.339 -3.113 -3.035 1.00 0.00 O ATOM 0 H GLU A 65 -6.038 -4.939 -3.691 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.232 -3.066 -5.741 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -6.620 -2.971 -2.753 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.751 -1.505 -3.704 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -8.473 -2.583 -5.151 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.327 -4.069 -4.233 1.00 0.00 H new ATOM 1024 N PHE A 66 -3.557 -2.806 -3.933 1.00 0.00 N ATOM 1025 CA PHE A 66 -2.279 -2.127 -3.804 1.00 0.00 C ATOM 1026 C PHE A 66 -1.412 -2.352 -5.045 1.00 0.00 C ATOM 1027 O PHE A 66 -0.728 -1.438 -5.503 1.00 0.00 O ATOM 1028 CB PHE A 66 -1.573 -2.730 -2.587 1.00 0.00 C ATOM 1029 CG PHE A 66 -0.203 -2.115 -2.296 1.00 0.00 C ATOM 1030 CD1 PHE A 66 -0.076 -0.768 -2.163 1.00 0.00 C ATOM 1031 CD2 PHE A 66 0.889 -2.917 -2.169 1.00 0.00 C ATOM 1032 CE1 PHE A 66 1.196 -0.198 -1.893 1.00 0.00 C ATOM 1033 CE2 PHE A 66 2.161 -2.347 -1.898 1.00 0.00 C ATOM 1034 CZ PHE A 66 2.288 -0.999 -1.766 1.00 0.00 C ATOM 0 H PHE A 66 -3.641 -3.664 -3.388 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.437 -1.054 -3.693 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.210 -2.605 -1.711 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.453 -3.802 -2.743 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.943 -0.131 -2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 66 0.788 -3.987 -2.274 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.297 0.872 -1.788 1.00 0.00 H new ATOM 0 HE2 PHE A 66 3.028 -2.984 -1.797 1.00 0.00 H new ATOM 0 HZ PHE A 66 3.255 -0.565 -1.560 1.00 0.00 H new ATOM 1044 N GLN A 67 -1.468 -3.575 -5.553 1.00 0.00 N ATOM 1045 CA GLN A 67 -0.696 -3.931 -6.731 1.00 0.00 C ATOM 1046 C GLN A 67 -0.850 -2.858 -7.811 1.00 0.00 C ATOM 1047 O GLN A 67 0.041 -2.674 -8.639 1.00 0.00 O ATOM 1048 CB GLN A 67 -1.109 -5.306 -7.262 1.00 0.00 C ATOM 1049 CG GLN A 67 -0.770 -6.407 -6.255 1.00 0.00 C ATOM 1050 CD GLN A 67 -0.066 -7.579 -6.940 1.00 0.00 C ATOM 1051 OE1 GLN A 67 -0.620 -8.259 -7.788 1.00 0.00 O ATOM 1052 NE2 GLN A 67 1.183 -7.776 -6.527 1.00 0.00 N ATOM 0 H GLN A 67 -2.036 -4.331 -5.170 1.00 0.00 H new ATOM 0 HA GLN A 67 0.355 -3.987 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.179 -5.314 -7.468 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -0.601 -5.503 -8.206 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.131 -6.003 -5.470 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -1.683 -6.758 -5.773 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.586 -7.169 -5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 67 1.738 -8.534 -6.924 1.00 0.00 H new ATOM 1061 N VAL A 68 -1.986 -2.178 -7.767 1.00 0.00 N ATOM 1062 CA VAL A 68 -2.267 -1.128 -8.731 1.00 0.00 C ATOM 1063 C VAL A 68 -1.194 -0.043 -8.625 1.00 0.00 C ATOM 1064 O VAL A 68 -0.798 0.544 -9.630 1.00 0.00 O ATOM 1065 CB VAL A 68 -3.684 -0.590 -8.521 1.00 0.00 C ATOM 1066 CG1 VAL A 68 -3.931 0.653 -9.378 1.00 0.00 C ATOM 1067 CG2 VAL A 68 -4.729 -1.671 -8.806 1.00 0.00 C ATOM 0 H VAL A 68 -2.723 -2.334 -7.079 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.231 -1.523 -9.746 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.781 -0.299 -7.475 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.945 1.015 -9.210 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -3.218 1.431 -9.105 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.806 0.400 -10.431 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.727 -1.262 -8.649 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.633 -2.007 -9.838 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.573 -2.515 -8.134 1.00 0.00 H new ATOM 1077 N LEU A 69 -0.753 0.191 -7.397 1.00 0.00 N ATOM 1078 CA LEU A 69 0.266 1.195 -7.146 1.00 0.00 C ATOM 1079 C LEU A 69 1.627 0.656 -7.593 1.00 0.00 C ATOM 1080 O LEU A 69 2.412 1.376 -8.208 1.00 0.00 O ATOM 1081 CB LEU A 69 0.231 1.640 -5.683 1.00 0.00 C ATOM 1082 CG LEU A 69 0.953 2.951 -5.363 1.00 0.00 C ATOM 1083 CD1 LEU A 69 -0.026 4.127 -5.352 1.00 0.00 C ATOM 1084 CD2 LEU A 69 1.733 2.842 -4.052 1.00 0.00 C ATOM 0 H LEU A 69 -1.083 -0.298 -6.565 1.00 0.00 H new ATOM 0 HA LEU A 69 0.070 2.093 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.811 1.739 -5.379 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.668 0.849 -5.073 1.00 0.00 H new ATOM 0 HG LEU A 69 1.679 3.143 -6.153 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.512 5.046 -5.122 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.497 4.217 -6.331 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.792 3.956 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.236 3.787 -3.849 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.045 2.614 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.474 2.047 -4.134 1.00 0.00 H new ATOM 1096 N VAL A 70 1.865 -0.605 -7.265 1.00 0.00 N ATOM 1097 CA VAL A 70 3.117 -1.248 -7.625 1.00 0.00 C ATOM 1098 C VAL A 70 3.312 -1.165 -9.140 1.00 0.00 C ATOM 1099 O VAL A 70 4.391 -0.811 -9.612 1.00 0.00 O ATOM 1100 CB VAL A 70 3.138 -2.685 -7.098 1.00 0.00 C ATOM 1101 CG1 VAL A 70 4.021 -3.577 -7.972 1.00 0.00 C ATOM 1102 CG2 VAL A 70 3.593 -2.726 -5.637 1.00 0.00 C ATOM 0 H VAL A 70 1.212 -1.199 -6.754 1.00 0.00 H new ATOM 0 HA VAL A 70 3.958 -0.733 -7.160 1.00 0.00 H new ATOM 0 HB VAL A 70 2.121 -3.074 -7.144 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.018 -4.592 -7.575 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.635 -3.585 -8.991 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.040 -3.191 -7.973 1.00 0.00 H new ATOM 0 HG21 VAL A 70 3.599 -3.758 -5.287 1.00 0.00 H new ATOM 0 HG22 VAL A 70 4.597 -2.310 -5.557 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.907 -2.140 -5.026 1.00 0.00 H new ATOM 1112 N LYS A 71 2.250 -1.497 -9.860 1.00 0.00 N ATOM 1113 CA LYS A 71 2.291 -1.465 -11.312 1.00 0.00 C ATOM 1114 C LYS A 71 2.762 -0.084 -11.774 1.00 0.00 C ATOM 1115 O LYS A 71 3.583 0.024 -12.683 1.00 0.00 O ATOM 1116 CB LYS A 71 0.939 -1.880 -11.895 1.00 0.00 C ATOM 1117 CG LYS A 71 1.123 -2.754 -13.138 1.00 0.00 C ATOM 1118 CD LYS A 71 -0.002 -2.515 -14.147 1.00 0.00 C ATOM 1119 CE LYS A 71 -1.314 -3.136 -13.662 1.00 0.00 C ATOM 1120 NZ LYS A 71 -2.278 -3.250 -14.780 1.00 0.00 N ATOM 0 H LYS A 71 1.356 -1.789 -9.465 1.00 0.00 H new ATOM 0 HA LYS A 71 3.011 -2.191 -11.689 1.00 0.00 H new ATOM 0 HB2 LYS A 71 0.367 -2.425 -11.144 1.00 0.00 H new ATOM 0 HB3 LYS A 71 0.362 -0.992 -12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.085 -2.535 -13.602 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.140 -3.805 -12.849 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -0.137 -1.444 -14.300 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.272 -2.943 -15.111 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.122 -4.122 -13.238 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.741 -2.524 -12.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.163 -3.673 -14.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.474 -2.305 -15.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.875 -3.852 -15.526 1.00 0.00 H new ATOM 1134 N LYS A 72 2.221 0.938 -11.126 1.00 0.00 N ATOM 1135 CA LYS A 72 2.575 2.307 -11.459 1.00 0.00 C ATOM 1136 C LYS A 72 4.012 2.581 -11.008 1.00 0.00 C ATOM 1137 O LYS A 72 4.670 3.477 -11.534 1.00 0.00 O ATOM 1138 CB LYS A 72 1.551 3.282 -10.875 1.00 0.00 C ATOM 1139 CG LYS A 72 0.183 3.101 -11.536 1.00 0.00 C ATOM 1140 CD LYS A 72 0.165 3.712 -12.938 1.00 0.00 C ATOM 1141 CE LYS A 72 -1.128 4.493 -13.179 1.00 0.00 C ATOM 1142 NZ LYS A 72 -0.886 5.948 -13.059 1.00 0.00 N ATOM 0 H LYS A 72 1.540 0.845 -10.372 1.00 0.00 H new ATOM 0 HA LYS A 72 2.544 2.457 -12.538 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.464 3.123 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.896 4.306 -11.018 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.058 2.040 -11.595 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.586 3.569 -10.922 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.022 4.374 -13.061 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.262 2.923 -13.684 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -1.518 4.264 -14.171 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -1.886 4.184 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.774 6.463 -13.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.535 6.164 -12.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.179 6.241 -13.763 1.00 0.00 H new ATOM 1156 N ILE A 73 4.455 1.793 -10.040 1.00 0.00 N ATOM 1157 CA ILE A 73 5.801 1.940 -9.513 1.00 0.00 C ATOM 1158 C ILE A 73 6.797 1.306 -10.486 1.00 0.00 C ATOM 1159 O ILE A 73 7.843 1.886 -10.775 1.00 0.00 O ATOM 1160 CB ILE A 73 5.885 1.376 -8.093 1.00 0.00 C ATOM 1161 CG1 ILE A 73 5.238 2.328 -7.086 1.00 0.00 C ATOM 1162 CG2 ILE A 73 7.331 1.043 -7.720 1.00 0.00 C ATOM 1163 CD1 ILE A 73 4.954 1.616 -5.762 1.00 0.00 C ATOM 0 H ILE A 73 3.906 1.051 -9.607 1.00 0.00 H new ATOM 0 HA ILE A 73 6.064 2.994 -9.429 1.00 0.00 H new ATOM 0 HB ILE A 73 5.322 0.443 -8.062 1.00 0.00 H new ATOM 0 HG12 ILE A 73 5.895 3.180 -6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 73 4.309 2.722 -7.498 1.00 0.00 H new ATOM 0 HG21 ILE A 73 7.363 0.644 -6.706 1.00 0.00 H new ATOM 0 HG22 ILE A 73 7.724 0.301 -8.415 1.00 0.00 H new ATOM 0 HG23 ILE A 73 7.938 1.947 -7.773 1.00 0.00 H new ATOM 0 HD11 ILE A 73 4.494 2.316 -5.064 1.00 0.00 H new ATOM 0 HD12 ILE A 73 4.277 0.780 -5.937 1.00 0.00 H new ATOM 0 HD13 ILE A 73 5.888 1.245 -5.341 1.00 0.00 H new ATOM 1175 N SER A 74 6.437 0.124 -10.965 1.00 0.00 N ATOM 1176 CA SER A 74 7.286 -0.594 -11.900 1.00 0.00 C ATOM 1177 C SER A 74 7.201 0.049 -13.286 1.00 0.00 C ATOM 1178 O SER A 74 8.221 0.414 -13.868 1.00 0.00 O ATOM 1179 CB SER A 74 6.894 -2.071 -11.976 1.00 0.00 C ATOM 1180 OG SER A 74 8.033 -2.920 -12.088 1.00 0.00 O ATOM 0 H SER A 74 5.569 -0.354 -10.723 1.00 0.00 H new ATOM 0 HA SER A 74 8.314 -0.536 -11.542 1.00 0.00 H new ATOM 0 HB2 SER A 74 6.326 -2.342 -11.086 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.239 -2.229 -12.833 1.00 0.00 H new ATOM 0 HG SER A 74 7.741 -3.855 -12.132 1.00 0.00 H new ATOM 1186 N GLN A 75 5.975 0.169 -13.773 1.00 0.00 N ATOM 1187 CA GLN A 75 5.743 0.762 -15.079 1.00 0.00 C ATOM 1188 C GLN A 75 5.987 2.271 -15.027 1.00 0.00 C ATOM 1189 O GLN A 75 7.049 2.746 -15.426 1.00 0.00 O ATOM 1190 CB GLN A 75 4.331 0.451 -15.580 1.00 0.00 C ATOM 1191 CG GLN A 75 4.358 -0.033 -17.031 1.00 0.00 C ATOM 1192 CD GLN A 75 5.300 -1.228 -17.193 1.00 0.00 C ATOM 1193 OE1 GLN A 75 6.212 -1.228 -18.004 1.00 0.00 O ATOM 1194 NE2 GLN A 75 5.030 -2.244 -16.378 1.00 0.00 N ATOM 0 H GLN A 75 5.131 -0.134 -13.287 1.00 0.00 H new ATOM 0 HA GLN A 75 6.448 0.324 -15.786 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.876 -0.311 -14.947 1.00 0.00 H new ATOM 0 HB3 GLN A 75 3.709 1.343 -15.502 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.352 -0.313 -17.343 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.680 0.779 -17.683 1.00 0.00 H new ATOM 0 HE21 GLN A 75 4.251 -2.179 -15.722 1.00 0.00 H new ATOM 0 HE22 GLN A 75 5.602 -3.088 -16.409 1.00 0.00 H new