USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 386 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 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0105 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -175:sc= 0.0105 (180deg=0.00854) USER MOD Single : A 40 LYS NZ :NH3+ -133:sc= 0 (180deg=-0.238) USER MOD Single : A 41 ASN : amide:sc= -0.0999 K(o=-0.1,f=-2.2!) USER MOD Single : A 57 ASN : amide:sc= -1.43 K(o=-1.4,f=-6!) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -0.803 -8.276 -1.320 1.00 0.00 N ATOM 89 CA ALA A 9 -1.278 -7.195 -2.174 1.00 0.00 C ATOM 90 C ALA A 9 -1.797 -6.027 -1.343 1.00 0.00 C ATOM 91 O ALA A 9 -2.509 -6.221 -0.359 1.00 0.00 O ATOM 92 CB ALA A 9 -2.363 -7.702 -3.112 1.00 0.00 C ATOM 0 HA ALA A 9 -0.437 -6.838 -2.769 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.709 -6.884 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.960 -8.499 -3.737 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.199 -8.087 -2.527 1.00 0.00 H new ATOM 98 N ALA A 10 -1.435 -4.813 -1.746 1.00 0.00 N ATOM 99 CA ALA A 10 -1.866 -3.613 -1.039 1.00 0.00 C ATOM 100 C ALA A 10 -2.098 -2.459 -2.008 1.00 0.00 C ATOM 101 O ALA A 10 -1.256 -2.171 -2.859 1.00 0.00 O ATOM 102 CB ALA A 10 -0.839 -3.224 0.013 1.00 0.00 C ATOM 0 H ALA A 10 -0.844 -4.635 -2.558 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.812 -3.832 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.173 -2.326 0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.726 -4.038 0.729 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.119 -3.029 -0.469 1.00 0.00 H new ATOM 108 N ARG A 11 -3.245 -1.801 -1.873 1.00 0.00 N ATOM 109 CA ARG A 11 -3.588 -0.678 -2.739 1.00 0.00 C ATOM 110 C ARG A 11 -3.334 0.650 -2.032 1.00 0.00 C ATOM 111 O ARG A 11 -3.511 0.764 -0.818 1.00 0.00 O ATOM 112 CB ARG A 11 -5.054 -0.768 -3.169 1.00 0.00 C ATOM 113 CG ARG A 11 -5.369 0.025 -4.426 1.00 0.00 C ATOM 114 CD ARG A 11 -6.755 -0.302 -4.959 1.00 0.00 C ATOM 115 NE ARG A 11 -6.901 0.062 -6.365 1.00 0.00 N ATOM 116 CZ ARG A 11 -7.800 -0.484 -7.176 1.00 0.00 C ATOM 117 NH1 ARG A 11 -8.629 -1.413 -6.723 1.00 0.00 N ATOM 118 NH2 ARG A 11 -7.872 -0.099 -8.444 1.00 0.00 N ATOM 0 H ARG A 11 -3.952 -2.026 -1.173 1.00 0.00 H new ATOM 0 HA ARG A 11 -2.953 -0.726 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.312 -1.814 -3.335 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.685 -0.410 -2.356 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.303 1.091 -4.211 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -4.623 -0.192 -5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.947 -1.368 -4.839 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.504 0.225 -4.368 1.00 0.00 H new ATOM 0 HE ARG A 11 -6.278 0.775 -6.746 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -8.578 -1.711 -5.749 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.318 -1.830 -7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.237 0.617 -8.797 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.563 -0.519 -9.066 1.00 0.00 H new ATOM 132 N LEU A 12 -2.918 1.652 -2.799 1.00 0.00 N ATOM 133 CA LEU A 12 -2.639 2.973 -2.247 1.00 0.00 C ATOM 134 C LEU A 12 -3.929 3.672 -1.830 1.00 0.00 C ATOM 135 O LEU A 12 -4.739 4.059 -2.673 1.00 0.00 O ATOM 136 CB LEU A 12 -1.890 3.827 -3.271 1.00 0.00 C ATOM 137 CG LEU A 12 -0.372 3.648 -3.313 1.00 0.00 C ATOM 138 CD1 LEU A 12 0.251 4.061 -1.989 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.015 2.207 -3.647 1.00 0.00 C ATOM 0 H LEU A 12 -2.767 1.575 -3.805 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.014 2.846 -1.363 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.289 3.605 -4.261 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.107 4.876 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 12 0.030 4.292 -4.096 1.00 0.00 H new ATOM 0 HD11 LEU A 12 1.332 3.927 -2.038 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.024 5.109 -1.791 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.155 3.444 -1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 12 1.069 2.097 -3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.429 1.544 -2.887 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.429 1.946 -4.621 1.00 0.00 H new ATOM 151 N LYS A 13 -4.113 3.834 -0.524 1.00 0.00 N ATOM 152 CA LYS A 13 -5.303 4.490 0.006 1.00 0.00 C ATOM 153 C LYS A 13 -5.531 5.836 -0.675 1.00 0.00 C ATOM 154 O LYS A 13 -6.653 6.341 -0.712 1.00 0.00 O ATOM 155 CB LYS A 13 -5.170 4.687 1.518 1.00 0.00 C ATOM 156 CG LYS A 13 -5.505 3.445 2.325 1.00 0.00 C ATOM 157 CD LYS A 13 -6.070 3.803 3.690 1.00 0.00 C ATOM 158 CE LYS A 13 -7.572 4.033 3.629 1.00 0.00 C ATOM 159 NZ LYS A 13 -8.201 3.947 4.976 1.00 0.00 N ATOM 0 H LYS A 13 -3.453 3.520 0.187 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.162 3.850 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.150 4.995 1.747 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -5.826 5.500 1.829 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.228 2.839 1.779 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.608 2.838 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.852 3.002 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.578 4.701 4.064 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.772 5.013 3.197 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.026 3.295 2.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.225 4.109 4.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.032 3.003 5.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.786 4.668 5.600 1.00 0.00 H new ATOM 173 N PHE A 14 -4.460 6.410 -1.214 1.00 0.00 N ATOM 174 CA PHE A 14 -4.544 7.697 -1.894 1.00 0.00 C ATOM 175 C PHE A 14 -3.329 7.919 -2.790 1.00 0.00 C ATOM 176 O PHE A 14 -2.330 7.207 -2.687 1.00 0.00 O ATOM 177 CB PHE A 14 -4.654 8.831 -0.874 1.00 0.00 C ATOM 178 CG PHE A 14 -5.796 8.665 0.088 1.00 0.00 C ATOM 179 CD1 PHE A 14 -5.665 7.859 1.207 1.00 0.00 C ATOM 180 CD2 PHE A 14 -7.001 9.314 -0.129 1.00 0.00 C ATOM 181 CE1 PHE A 14 -6.714 7.704 2.094 1.00 0.00 C ATOM 182 CE2 PHE A 14 -8.053 9.163 0.755 1.00 0.00 C ATOM 183 CZ PHE A 14 -7.910 8.356 1.866 1.00 0.00 C ATOM 0 H PHE A 14 -3.524 6.004 -1.193 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.438 7.692 -2.518 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.722 8.895 -0.312 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.771 9.776 -1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.732 7.346 1.389 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.119 9.944 -0.998 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -6.598 7.074 2.964 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.986 9.676 0.577 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.732 8.235 2.556 1.00 0.00 H new ATOM 193 N ASP A 15 -3.423 8.911 -3.669 1.00 0.00 N ATOM 194 CA ASP A 15 -2.332 9.228 -4.583 1.00 0.00 C ATOM 195 C ASP A 15 -1.109 9.725 -3.818 1.00 0.00 C ATOM 196 O ASP A 15 -1.116 10.823 -3.260 1.00 0.00 O ATOM 197 CB ASP A 15 -2.778 10.283 -5.596 1.00 0.00 C ATOM 198 CG ASP A 15 -3.667 11.343 -4.976 1.00 0.00 C ATOM 199 OD1 ASP A 15 -3.137 12.218 -4.260 1.00 0.00 O ATOM 200 OD2 ASP A 15 -4.893 11.297 -5.208 1.00 0.00 O ATOM 0 H ASP A 15 -4.243 9.509 -3.768 1.00 0.00 H new ATOM 0 HA ASP A 15 -2.060 8.316 -5.115 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.899 10.759 -6.031 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.313 9.796 -6.411 1.00 0.00 H new ATOM 205 N PHE A 16 -0.060 8.910 -3.794 1.00 0.00 N ATOM 206 CA PHE A 16 1.170 9.265 -3.096 1.00 0.00 C ATOM 207 C PHE A 16 2.128 10.004 -4.025 1.00 0.00 C ATOM 208 O PHE A 16 2.219 9.695 -5.213 1.00 0.00 O ATOM 209 CB PHE A 16 1.846 8.011 -2.539 1.00 0.00 C ATOM 210 CG PHE A 16 3.204 8.272 -1.952 1.00 0.00 C ATOM 211 CD1 PHE A 16 4.333 8.270 -2.755 1.00 0.00 C ATOM 212 CD2 PHE A 16 3.351 8.519 -0.597 1.00 0.00 C ATOM 213 CE1 PHE A 16 5.583 8.511 -2.218 1.00 0.00 C ATOM 214 CE2 PHE A 16 4.599 8.761 -0.054 1.00 0.00 C ATOM 215 CZ PHE A 16 5.716 8.756 -0.866 1.00 0.00 C ATOM 0 H PHE A 16 -0.037 7.998 -4.250 1.00 0.00 H new ATOM 0 HA PHE A 16 0.911 9.926 -2.269 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.206 7.573 -1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 16 1.939 7.274 -3.336 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.235 8.078 -3.813 1.00 0.00 H new ATOM 0 HD2 PHE A 16 2.481 8.523 0.043 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.455 8.508 -2.855 1.00 0.00 H new ATOM 0 HE2 PHE A 16 4.700 8.954 1.004 1.00 0.00 H new ATOM 0 HZ PHE A 16 6.692 8.944 -0.444 1.00 0.00 H new ATOM 225 N GLN A 17 2.841 10.982 -3.474 1.00 0.00 N ATOM 226 CA GLN A 17 3.792 11.766 -4.253 1.00 0.00 C ATOM 227 C GLN A 17 5.182 11.712 -3.629 1.00 0.00 C ATOM 228 O GLN A 17 5.394 12.200 -2.519 1.00 0.00 O ATOM 229 CB GLN A 17 3.323 13.218 -4.359 1.00 0.00 C ATOM 230 CG GLN A 17 4.186 14.071 -5.274 1.00 0.00 C ATOM 231 CD GLN A 17 3.524 15.384 -5.643 1.00 0.00 C ATOM 232 OE1 GLN A 17 3.088 15.575 -6.778 1.00 0.00 O ATOM 233 NE2 GLN A 17 3.446 16.298 -4.683 1.00 0.00 N ATOM 0 H GLN A 17 2.778 11.250 -2.492 1.00 0.00 H new ATOM 0 HA GLN A 17 3.846 11.336 -5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.296 13.234 -4.724 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.315 13.662 -3.364 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.138 14.274 -4.784 1.00 0.00 H new ATOM 0 HG3 GLN A 17 4.408 13.512 -6.183 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.821 16.097 -3.756 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.011 17.201 -4.873 1.00 0.00 H new ATOM 242 N ALA A 18 6.127 11.117 -4.349 1.00 0.00 N ATOM 243 CA ALA A 18 7.497 11.001 -3.867 1.00 0.00 C ATOM 244 C ALA A 18 8.226 12.338 -3.958 1.00 0.00 C ATOM 245 O ALA A 18 8.535 12.812 -5.050 1.00 0.00 O ATOM 246 CB ALA A 18 8.246 9.935 -4.653 1.00 0.00 C ATOM 0 H ALA A 18 5.968 10.707 -5.270 1.00 0.00 H new ATOM 0 HA ALA A 18 7.463 10.706 -2.818 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.268 9.860 -4.282 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.745 8.975 -4.533 1.00 0.00 H new ATOM 0 HB3 ALA A 18 8.263 10.206 -5.709 1.00 0.00 H new ATOM 252 N GLN A 19 8.496 12.939 -2.804 1.00 0.00 N ATOM 253 CA GLN A 19 9.188 14.222 -2.755 1.00 0.00 C ATOM 254 C GLN A 19 10.627 14.083 -3.239 1.00 0.00 C ATOM 255 O GLN A 19 11.166 14.984 -3.882 1.00 0.00 O ATOM 256 CB GLN A 19 9.167 14.782 -1.332 1.00 0.00 C ATOM 257 CG GLN A 19 9.836 16.141 -1.203 1.00 0.00 C ATOM 258 CD GLN A 19 10.119 16.519 0.237 1.00 0.00 C ATOM 259 OE1 GLN A 19 9.385 17.301 0.842 1.00 0.00 O ATOM 260 NE2 GLN A 19 11.188 15.963 0.796 1.00 0.00 N ATOM 0 H GLN A 19 8.247 12.559 -1.891 1.00 0.00 H new ATOM 0 HA GLN A 19 8.667 14.913 -3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.133 14.862 -0.997 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.664 14.077 -0.666 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.771 16.136 -1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.198 16.900 -1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 19 11.769 15.320 0.258 1.00 0.00 H new ATOM 0 HE22 GLN A 19 11.428 16.179 1.764 1.00 0.00 H new ATOM 269 N SER A 20 11.245 12.949 -2.925 1.00 0.00 N ATOM 270 CA SER A 20 12.625 12.694 -3.324 1.00 0.00 C ATOM 271 C SER A 20 12.682 11.678 -4.460 1.00 0.00 C ATOM 272 O SER A 20 11.740 10.922 -4.700 1.00 0.00 O ATOM 273 CB SER A 20 13.438 12.189 -2.131 1.00 0.00 C ATOM 274 OG SER A 20 14.028 13.265 -1.423 1.00 0.00 O ATOM 0 H SER A 20 10.812 12.192 -2.396 1.00 0.00 H new ATOM 0 HA SER A 20 13.055 13.632 -3.676 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.792 11.620 -1.462 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.215 11.509 -2.479 1.00 0.00 H new ATOM 0 HG SER A 20 14.541 12.915 -0.664 1.00 0.00 H new ATOM 280 N PRO A 21 13.815 11.658 -5.178 1.00 0.00 N ATOM 281 CA PRO A 21 14.024 10.740 -6.302 1.00 0.00 C ATOM 282 C PRO A 21 14.172 9.292 -5.847 1.00 0.00 C ATOM 283 O PRO A 21 14.091 8.365 -6.653 1.00 0.00 O ATOM 284 CB PRO A 21 15.328 11.239 -6.930 1.00 0.00 C ATOM 285 CG PRO A 21 16.045 11.925 -5.819 1.00 0.00 C ATOM 286 CD PRO A 21 14.979 12.531 -4.949 1.00 0.00 C ATOM 0 HA PRO A 21 13.178 10.737 -6.989 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.916 10.413 -7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.133 11.922 -7.757 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.655 11.220 -5.254 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.717 12.692 -6.203 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.274 12.541 -3.900 1.00 0.00 H new ATOM 0 HD3 PRO A 21 14.769 13.563 -5.230 1.00 0.00 H new ATOM 294 N LYS A 22 14.389 9.104 -4.549 1.00 0.00 N ATOM 295 CA LYS A 22 14.546 7.768 -3.985 1.00 0.00 C ATOM 296 C LYS A 22 13.189 7.121 -3.731 1.00 0.00 C ATOM 297 O LYS A 22 13.035 5.908 -3.865 1.00 0.00 O ATOM 298 CB LYS A 22 15.345 7.834 -2.681 1.00 0.00 C ATOM 299 CG LYS A 22 14.628 8.574 -1.566 1.00 0.00 C ATOM 300 CD LYS A 22 15.415 8.524 -0.267 1.00 0.00 C ATOM 301 CE LYS A 22 14.499 8.618 0.944 1.00 0.00 C ATOM 302 NZ LYS A 22 15.254 8.943 2.186 1.00 0.00 N ATOM 0 H LYS A 22 14.460 9.860 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 22 15.089 7.158 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.567 6.820 -2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.300 8.322 -2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.473 9.612 -1.859 1.00 0.00 H new ATOM 0 HG3 LYS A 22 13.642 8.135 -1.412 1.00 0.00 H new ATOM 0 HD2 LYS A 22 15.986 7.596 -0.222 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.135 9.342 -0.245 1.00 0.00 H new ATOM 0 HE2 LYS A 22 13.742 9.382 0.768 1.00 0.00 H new ATOM 0 HE3 LYS A 22 13.973 7.673 1.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 14.595 8.998 2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.959 8.201 2.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 15.736 9.857 2.070 1.00 0.00 H new ATOM 316 N GLU A 23 12.208 7.940 -3.363 1.00 0.00 N ATOM 317 CA GLU A 23 10.863 7.446 -3.091 1.00 0.00 C ATOM 318 C GLU A 23 10.168 7.021 -4.381 1.00 0.00 C ATOM 319 O GLU A 23 10.707 7.191 -5.475 1.00 0.00 O ATOM 320 CB GLU A 23 10.035 8.520 -2.383 1.00 0.00 C ATOM 321 CG GLU A 23 10.205 8.523 -0.873 1.00 0.00 C ATOM 322 CD GLU A 23 9.970 9.891 -0.262 1.00 0.00 C ATOM 323 OE1 GLU A 23 10.609 10.862 -0.717 1.00 0.00 O ATOM 324 OE2 GLU A 23 9.147 9.989 0.672 1.00 0.00 O ATOM 0 H GLU A 23 12.319 8.947 -3.247 1.00 0.00 H new ATOM 0 HA GLU A 23 10.948 6.575 -2.441 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.315 9.498 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.982 8.371 -2.621 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.511 7.808 -0.432 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.211 8.186 -0.624 1.00 0.00 H new ATOM 331 N LEU A 24 8.969 6.465 -4.244 1.00 0.00 N ATOM 332 CA LEU A 24 8.199 6.014 -5.398 1.00 0.00 C ATOM 333 C LEU A 24 6.896 6.797 -5.523 1.00 0.00 C ATOM 334 O LEU A 24 6.237 7.092 -4.525 1.00 0.00 O ATOM 335 CB LEU A 24 7.900 4.518 -5.283 1.00 0.00 C ATOM 336 CG LEU A 24 8.941 3.577 -5.888 1.00 0.00 C ATOM 337 CD1 LEU A 24 8.551 2.126 -5.652 1.00 0.00 C ATOM 338 CD2 LEU A 24 9.108 3.851 -7.376 1.00 0.00 C ATOM 0 H LEU A 24 8.509 6.316 -3.346 1.00 0.00 H new ATOM 0 HA LEU A 24 8.795 6.191 -6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.786 4.271 -4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 24 6.941 4.322 -5.762 1.00 0.00 H new ATOM 0 HG LEU A 24 9.896 3.760 -5.396 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.304 1.471 -6.090 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.484 1.937 -4.581 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.585 1.929 -6.116 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.853 3.172 -7.790 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.156 3.698 -7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.435 4.880 -7.522 1.00 0.00 H new ATOM 350 N THR A 25 6.527 7.130 -6.756 1.00 0.00 N ATOM 351 CA THR A 25 5.302 7.877 -7.012 1.00 0.00 C ATOM 352 C THR A 25 4.197 6.962 -7.526 1.00 0.00 C ATOM 353 O THR A 25 4.286 6.424 -8.631 1.00 0.00 O ATOM 354 CB THR A 25 5.536 9.006 -8.034 1.00 0.00 C ATOM 355 OG1 THR A 25 6.615 9.842 -7.602 1.00 0.00 O ATOM 356 CG2 THR A 25 4.279 9.844 -8.212 1.00 0.00 C ATOM 0 H THR A 25 7.060 6.894 -7.593 1.00 0.00 H new ATOM 0 HA THR A 25 4.994 8.315 -6.062 1.00 0.00 H new ATOM 0 HB THR A 25 5.790 8.552 -8.992 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.758 10.556 -8.258 1.00 0.00 H new ATOM 0 HG21 THR A 25 4.469 10.635 -8.938 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.467 9.211 -8.569 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.000 10.288 -7.257 1.00 0.00 H new ATOM 364 N LEU A 26 3.155 6.790 -6.720 1.00 0.00 N ATOM 365 CA LEU A 26 2.031 5.939 -7.095 1.00 0.00 C ATOM 366 C LEU A 26 0.728 6.732 -7.103 1.00 0.00 C ATOM 367 O LEU A 26 0.500 7.578 -6.239 1.00 0.00 O ATOM 368 CB LEU A 26 1.916 4.758 -6.130 1.00 0.00 C ATOM 369 CG LEU A 26 3.215 4.012 -5.824 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.014 3.037 -4.675 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.716 3.283 -7.063 1.00 0.00 C ATOM 0 H LEU A 26 3.065 7.228 -5.803 1.00 0.00 H new ATOM 0 HA LEU A 26 2.212 5.562 -8.101 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.499 5.122 -5.191 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.200 4.046 -6.542 1.00 0.00 H new ATOM 0 HG LEU A 26 3.968 4.741 -5.526 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.950 2.516 -4.472 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.703 3.583 -3.785 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.246 2.312 -4.943 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.641 2.758 -6.827 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.965 2.565 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.901 4.004 -7.859 1.00 0.00 H new ATOM 383 N GLN A 27 -0.124 6.450 -8.084 1.00 0.00 N ATOM 384 CA GLN A 27 -1.405 7.137 -8.204 1.00 0.00 C ATOM 385 C GLN A 27 -2.419 6.573 -7.213 1.00 0.00 C ATOM 386 O GLN A 27 -2.247 5.471 -6.691 1.00 0.00 O ATOM 387 CB GLN A 27 -1.944 7.011 -9.630 1.00 0.00 C ATOM 388 CG GLN A 27 -2.795 8.193 -10.065 1.00 0.00 C ATOM 389 CD GLN A 27 -3.352 8.027 -11.465 1.00 0.00 C ATOM 390 OE1 GLN A 27 -4.310 7.284 -11.680 1.00 0.00 O ATOM 391 NE2 GLN A 27 -2.753 8.720 -12.427 1.00 0.00 N ATOM 0 H GLN A 27 0.049 5.751 -8.807 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.247 8.191 -7.975 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.106 6.905 -10.318 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.537 6.099 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -3.619 8.320 -9.363 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -2.196 9.103 -10.022 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -1.962 9.324 -12.204 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.084 8.648 -13.389 1.00 0.00 H new ATOM 400 N LYS A 28 -3.475 7.337 -6.956 1.00 0.00 N ATOM 401 CA LYS A 28 -4.518 6.915 -6.029 1.00 0.00 C ATOM 402 C LYS A 28 -5.158 5.609 -6.487 1.00 0.00 C ATOM 403 O LYS A 28 -5.646 5.507 -7.612 1.00 0.00 O ATOM 404 CB LYS A 28 -5.587 8.003 -5.902 1.00 0.00 C ATOM 405 CG LYS A 28 -6.829 7.550 -5.154 1.00 0.00 C ATOM 406 CD LYS A 28 -8.040 8.391 -5.524 1.00 0.00 C ATOM 407 CE LYS A 28 -9.322 7.802 -4.955 1.00 0.00 C ATOM 408 NZ LYS A 28 -10.526 8.549 -5.413 1.00 0.00 N ATOM 0 H LYS A 28 -3.631 8.253 -7.377 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.058 6.751 -5.055 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.158 8.864 -5.390 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.875 8.336 -6.899 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.029 6.503 -5.380 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.653 7.616 -4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -7.907 9.406 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -8.120 8.459 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.406 6.758 -5.255 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -9.277 7.818 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -11.379 8.117 -5.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -10.458 9.540 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -10.583 8.512 -6.451 1.00 0.00 H new ATOM 422 N GLY A 29 -5.153 4.612 -5.607 1.00 0.00 N ATOM 423 CA GLY A 29 -5.737 3.326 -5.941 1.00 0.00 C ATOM 424 C GLY A 29 -4.825 2.482 -6.809 1.00 0.00 C ATOM 425 O GLY A 29 -5.208 2.065 -7.902 1.00 0.00 O ATOM 0 H GLY A 29 -4.755 4.672 -4.670 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.963 2.784 -5.023 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.683 3.484 -6.459 1.00 0.00 H new ATOM 429 N ASP A 30 -3.614 2.231 -6.323 1.00 0.00 N ATOM 430 CA ASP A 30 -2.644 1.432 -7.062 1.00 0.00 C ATOM 431 C ASP A 30 -2.142 0.266 -6.216 1.00 0.00 C ATOM 432 O ASP A 30 -1.708 0.455 -5.079 1.00 0.00 O ATOM 433 CB ASP A 30 -1.467 2.302 -7.505 1.00 0.00 C ATOM 434 CG ASP A 30 -0.809 1.785 -8.769 1.00 0.00 C ATOM 435 OD1 ASP A 30 0.127 0.965 -8.659 1.00 0.00 O ATOM 436 OD2 ASP A 30 -1.229 2.200 -9.869 1.00 0.00 O ATOM 0 H ASP A 30 -3.281 2.570 -5.420 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.140 1.029 -7.945 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.815 3.322 -7.671 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.728 2.343 -6.705 1.00 0.00 H new ATOM 441 N ILE A 31 -2.206 -0.936 -6.777 1.00 0.00 N ATOM 442 CA ILE A 31 -1.757 -2.132 -6.073 1.00 0.00 C ATOM 443 C ILE A 31 -0.290 -2.425 -6.368 1.00 0.00 C ATOM 444 O ILE A 31 0.167 -2.281 -7.502 1.00 0.00 O ATOM 445 CB ILE A 31 -2.602 -3.361 -6.456 1.00 0.00 C ATOM 446 CG1 ILE A 31 -4.049 -3.178 -5.992 1.00 0.00 C ATOM 447 CG2 ILE A 31 -2.003 -4.624 -5.855 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.924 -2.471 -7.004 1.00 0.00 C ATOM 0 H ILE A 31 -2.564 -1.109 -7.716 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.879 -1.936 -5.008 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.599 -3.461 -7.541 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.478 -4.156 -5.773 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.054 -2.612 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.612 -5.484 -6.135 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.989 -4.760 -6.230 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.979 -4.534 -4.769 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.935 -2.376 -6.608 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.519 -1.479 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.949 -3.047 -7.929 1.00 0.00 H new ATOM 460 N VAL A 32 0.443 -2.840 -5.340 1.00 0.00 N ATOM 461 CA VAL A 32 1.858 -3.157 -5.488 1.00 0.00 C ATOM 462 C VAL A 32 2.230 -4.398 -4.684 1.00 0.00 C ATOM 463 O VAL A 32 1.434 -4.897 -3.889 1.00 0.00 O ATOM 464 CB VAL A 32 2.747 -1.982 -5.040 1.00 0.00 C ATOM 465 CG1 VAL A 32 2.412 -0.727 -5.830 1.00 0.00 C ATOM 466 CG2 VAL A 32 2.593 -1.739 -3.546 1.00 0.00 C ATOM 0 H VAL A 32 0.080 -2.965 -4.395 1.00 0.00 H new ATOM 0 HA VAL A 32 2.030 -3.349 -6.547 1.00 0.00 H new ATOM 0 HB VAL A 32 3.787 -2.239 -5.238 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.050 0.092 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.578 -0.910 -6.892 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.367 -0.462 -5.666 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.228 -0.905 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.553 -1.502 -3.321 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.888 -2.635 -2.999 1.00 0.00 H new ATOM 476 N TYR A 33 3.446 -4.891 -4.897 1.00 0.00 N ATOM 477 CA TYR A 33 3.924 -6.075 -4.193 1.00 0.00 C ATOM 478 C TYR A 33 5.159 -5.751 -3.359 1.00 0.00 C ATOM 479 O TYR A 33 6.187 -5.329 -3.890 1.00 0.00 O ATOM 480 CB TYR A 33 4.245 -7.191 -5.189 1.00 0.00 C ATOM 481 CG TYR A 33 3.035 -7.996 -5.606 1.00 0.00 C ATOM 482 CD1 TYR A 33 2.091 -7.468 -6.477 1.00 0.00 C ATOM 483 CD2 TYR A 33 2.837 -9.287 -5.130 1.00 0.00 C ATOM 484 CE1 TYR A 33 0.984 -8.200 -6.860 1.00 0.00 C ATOM 485 CE2 TYR A 33 1.734 -10.027 -5.509 1.00 0.00 C ATOM 486 CZ TYR A 33 0.810 -9.479 -6.374 1.00 0.00 C ATOM 487 OH TYR A 33 -0.291 -10.212 -6.755 1.00 0.00 O ATOM 0 H TYR A 33 4.118 -4.489 -5.551 1.00 0.00 H new ATOM 0 HA TYR A 33 3.134 -6.412 -3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.704 -6.754 -6.076 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.982 -7.861 -4.746 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.225 -6.468 -6.862 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.558 -9.719 -4.452 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.258 -7.773 -7.537 1.00 0.00 H new ATOM 0 HE2 TYR A 33 1.596 -11.029 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.263 -11.092 -6.325 1.00 0.00 H new ATOM 497 N ILE A 34 5.051 -5.953 -2.050 1.00 0.00 N ATOM 498 CA ILE A 34 6.160 -5.685 -1.142 1.00 0.00 C ATOM 499 C ILE A 34 7.153 -6.842 -1.130 1.00 0.00 C ATOM 500 O ILE A 34 6.896 -7.889 -0.535 1.00 0.00 O ATOM 501 CB ILE A 34 5.663 -5.434 0.294 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.743 -4.212 0.333 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.842 -5.247 1.237 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.321 -4.513 -0.085 1.00 0.00 C ATOM 0 H ILE A 34 4.207 -6.301 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 34 6.658 -4.787 -1.508 1.00 0.00 H new ATOM 0 HB ILE A 34 5.094 -6.304 0.623 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.737 -3.804 1.344 1.00 0.00 H new ATOM 0 HG13 ILE A 34 5.150 -3.440 -0.320 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.475 -5.071 2.248 1.00 0.00 H new ATOM 0 HG22 ILE A 34 7.461 -6.144 1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.436 -4.392 0.912 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.726 -3.601 -0.033 1.00 0.00 H new ATOM 0 HD12 ILE A 34 3.315 -4.893 -1.107 1.00 0.00 H new ATOM 0 HD13 ILE A 34 2.896 -5.262 0.583 1.00 0.00 H new ATOM 516 N HIS A 35 8.290 -6.645 -1.790 1.00 0.00 N ATOM 517 CA HIS A 35 9.324 -7.672 -1.854 1.00 0.00 C ATOM 518 C HIS A 35 10.325 -7.506 -0.714 1.00 0.00 C ATOM 519 O HIS A 35 10.642 -8.463 -0.008 1.00 0.00 O ATOM 520 CB HIS A 35 10.050 -7.612 -3.198 1.00 0.00 C ATOM 521 CG HIS A 35 10.918 -8.803 -3.464 1.00 0.00 C ATOM 522 ND1 HIS A 35 12.272 -8.821 -3.203 1.00 0.00 N ATOM 523 CD2 HIS A 35 10.617 -10.022 -3.969 1.00 0.00 C ATOM 524 CE1 HIS A 35 12.767 -10.000 -3.538 1.00 0.00 C ATOM 525 NE2 HIS A 35 11.783 -10.747 -4.005 1.00 0.00 N ATOM 0 H HIS A 35 8.519 -5.784 -2.288 1.00 0.00 H new ATOM 0 HA HIS A 35 8.842 -8.645 -1.753 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.313 -7.525 -3.996 1.00 0.00 H new ATOM 0 HB3 HIS A 35 10.663 -6.711 -3.230 1.00 0.00 H new ATOM 0 HD2 HIS A 35 9.642 -10.361 -4.285 1.00 0.00 H new ATOM 0 HE1 HIS A 35 13.800 -10.301 -3.446 1.00 0.00 H new ATOM 0 HE2 HIS A 35 11.874 -11.707 -4.338 1.00 0.00 H new ATOM 533 N LYS A 36 10.820 -6.285 -0.540 1.00 0.00 N ATOM 534 CA LYS A 36 11.784 -5.992 0.513 1.00 0.00 C ATOM 535 C LYS A 36 11.206 -5.003 1.520 1.00 0.00 C ATOM 536 O LYS A 36 10.293 -4.242 1.202 1.00 0.00 O ATOM 537 CB LYS A 36 13.073 -5.429 -0.089 1.00 0.00 C ATOM 538 CG LYS A 36 13.907 -4.630 0.898 1.00 0.00 C ATOM 539 CD LYS A 36 15.281 -4.309 0.335 1.00 0.00 C ATOM 540 CE LYS A 36 16.090 -3.450 1.295 1.00 0.00 C ATOM 541 NZ LYS A 36 17.191 -2.728 0.600 1.00 0.00 N ATOM 0 H LYS A 36 10.569 -5.482 -1.116 1.00 0.00 H new ATOM 0 HA LYS A 36 12.010 -6.923 1.033 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.673 -6.252 -0.476 1.00 0.00 H new ATOM 0 HB3 LYS A 36 12.820 -4.793 -0.937 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.389 -3.704 1.147 1.00 0.00 H new ATOM 0 HG3 LYS A 36 14.015 -5.194 1.825 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.818 -5.236 0.133 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.173 -3.789 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.432 -2.729 1.780 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.508 -4.079 2.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.770 -2.221 1.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 17.785 -3.411 0.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.788 -2.046 -0.074 1.00 0.00 H new ATOM 555 N GLU A 37 11.745 -5.019 2.735 1.00 0.00 N ATOM 556 CA GLU A 37 11.282 -4.122 3.788 1.00 0.00 C ATOM 557 C GLU A 37 12.394 -3.171 4.220 1.00 0.00 C ATOM 558 O GLU A 37 13.348 -3.574 4.886 1.00 0.00 O ATOM 559 CB GLU A 37 10.787 -4.926 4.992 1.00 0.00 C ATOM 560 CG GLU A 37 9.357 -5.419 4.848 1.00 0.00 C ATOM 561 CD GLU A 37 9.263 -6.715 4.068 1.00 0.00 C ATOM 562 OE1 GLU A 37 9.646 -6.722 2.879 1.00 0.00 O ATOM 563 OE2 GLU A 37 8.805 -7.724 4.646 1.00 0.00 O ATOM 0 H GLU A 37 12.502 -5.643 3.015 1.00 0.00 H new ATOM 0 HA GLU A 37 10.457 -3.532 3.390 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.444 -5.782 5.141 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.861 -4.308 5.887 1.00 0.00 H new ATOM 0 HG2 GLU A 37 8.925 -5.563 5.838 1.00 0.00 H new ATOM 0 HG3 GLU A 37 8.762 -4.655 4.349 1.00 0.00 H new ATOM 570 N VAL A 38 12.265 -1.905 3.835 1.00 0.00 N ATOM 571 CA VAL A 38 13.257 -0.895 4.182 1.00 0.00 C ATOM 572 C VAL A 38 13.240 -0.599 5.677 1.00 0.00 C ATOM 573 O VAL A 38 14.211 -0.867 6.385 1.00 0.00 O ATOM 574 CB VAL A 38 13.020 0.415 3.407 1.00 0.00 C ATOM 575 CG1 VAL A 38 14.065 1.454 3.782 1.00 0.00 C ATOM 576 CG2 VAL A 38 13.027 0.156 1.908 1.00 0.00 C ATOM 0 H VAL A 38 11.483 -1.555 3.282 1.00 0.00 H new ATOM 0 HA VAL A 38 14.231 -1.300 3.906 1.00 0.00 H new ATOM 0 HB VAL A 38 12.040 0.806 3.680 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.881 2.372 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.006 1.660 4.851 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.058 1.075 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.858 1.092 1.376 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.991 -0.259 1.615 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.236 -0.551 1.657 1.00 0.00 H new ATOM 586 N ASP A 39 12.130 -0.044 6.152 1.00 0.00 N ATOM 587 CA ASP A 39 11.985 0.287 7.565 1.00 0.00 C ATOM 588 C ASP A 39 10.633 -0.179 8.096 1.00 0.00 C ATOM 589 O ASP A 39 9.788 -0.659 7.340 1.00 0.00 O ATOM 590 CB ASP A 39 12.138 1.795 7.775 1.00 0.00 C ATOM 591 CG ASP A 39 12.278 2.164 9.238 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.261 1.722 9.869 1.00 0.00 O ATOM 593 OD2 ASP A 39 11.406 2.894 9.753 1.00 0.00 O ATOM 0 H ASP A 39 11.318 0.186 5.579 1.00 0.00 H new ATOM 0 HA ASP A 39 12.770 -0.230 8.117 1.00 0.00 H new ATOM 0 HB2 ASP A 39 13.013 2.148 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 39 11.272 2.307 7.355 1.00 0.00 H new ATOM 598 N LYS A 40 10.435 -0.035 9.402 1.00 0.00 N ATOM 599 CA LYS A 40 9.186 -0.440 10.036 1.00 0.00 C ATOM 600 C LYS A 40 7.985 0.114 9.276 1.00 0.00 C ATOM 601 O LYS A 40 7.003 -0.592 9.050 1.00 0.00 O ATOM 602 CB LYS A 40 9.149 0.039 11.489 1.00 0.00 C ATOM 603 CG LYS A 40 9.983 -0.811 12.432 1.00 0.00 C ATOM 604 CD LYS A 40 9.584 -0.593 13.881 1.00 0.00 C ATOM 605 CE LYS A 40 10.382 0.536 14.515 1.00 0.00 C ATOM 606 NZ LYS A 40 9.746 1.863 14.283 1.00 0.00 N ATOM 0 H LYS A 40 11.124 0.359 10.042 1.00 0.00 H new ATOM 0 HA LYS A 40 9.135 -1.529 10.017 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.504 1.069 11.532 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.115 0.043 11.835 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.864 -1.864 12.176 1.00 0.00 H new ATOM 0 HG3 LYS A 40 11.038 -0.569 12.304 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.520 -0.363 13.936 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.741 -1.512 14.445 1.00 0.00 H new ATOM 0 HE2 LYS A 40 10.473 0.359 15.587 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.392 0.541 14.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.466 2.542 13.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.010 1.772 13.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.317 2.202 15.168 1.00 0.00 H new ATOM 620 N ASN A 41 8.072 1.380 8.884 1.00 0.00 N ATOM 621 CA ASN A 41 6.992 2.028 8.148 1.00 0.00 C ATOM 622 C ASN A 41 7.283 2.038 6.651 1.00 0.00 C ATOM 623 O ASN A 41 6.379 1.870 5.832 1.00 0.00 O ATOM 624 CB ASN A 41 6.793 3.460 8.649 1.00 0.00 C ATOM 625 CG ASN A 41 5.794 3.540 9.788 1.00 0.00 C ATOM 626 OD1 ASN A 41 5.199 2.536 10.179 1.00 0.00 O ATOM 627 ND2 ASN A 41 5.606 4.740 10.326 1.00 0.00 N ATOM 0 H ASN A 41 8.879 1.978 9.063 1.00 0.00 H new ATOM 0 HA ASN A 41 6.078 1.459 8.319 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.750 3.863 8.980 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.451 4.086 7.825 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.946 4.856 11.095 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.121 5.545 9.970 1.00 0.00 H new ATOM 634 N TRP A 42 8.549 2.233 6.301 1.00 0.00 N ATOM 635 CA TRP A 42 8.960 2.264 4.902 1.00 0.00 C ATOM 636 C TRP A 42 9.102 0.852 4.346 1.00 0.00 C ATOM 637 O TRP A 42 9.597 -0.048 5.027 1.00 0.00 O ATOM 638 CB TRP A 42 10.281 3.020 4.753 1.00 0.00 C ATOM 639 CG TRP A 42 10.190 4.461 5.155 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.630 5.016 6.323 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.620 5.529 4.391 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.369 6.365 6.330 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.751 6.705 5.156 1.00 0.00 C ATOM 644 CE3 TRP A 42 9.015 5.608 3.134 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.297 7.941 4.704 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.565 6.835 2.687 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.708 7.989 3.470 1.00 0.00 C ATOM 0 H TRP A 42 9.309 2.372 6.967 1.00 0.00 H new ATOM 0 HA TRP A 42 8.188 2.782 4.334 1.00 0.00 H new ATOM 0 HB2 TRP A 42 11.043 2.529 5.359 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.611 2.960 3.716 1.00 0.00 H new ATOM 0 HD1 TRP A 42 11.112 4.474 7.123 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.598 7.009 7.087 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.901 4.725 2.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.406 8.831 5.306 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.095 6.907 1.717 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.346 8.934 3.092 1.00 0.00 H new ATOM 658 N LEU A 43 8.668 0.663 3.105 1.00 0.00 N ATOM 659 CA LEU A 43 8.747 -0.642 2.457 1.00 0.00 C ATOM 660 C LEU A 43 9.242 -0.507 1.020 1.00 0.00 C ATOM 661 O LEU A 43 8.980 0.495 0.355 1.00 0.00 O ATOM 662 CB LEU A 43 7.380 -1.327 2.474 1.00 0.00 C ATOM 663 CG LEU A 43 6.687 -1.407 3.835 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.260 -1.909 3.679 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.470 -2.306 4.780 1.00 0.00 C ATOM 0 H LEU A 43 8.258 1.397 2.527 1.00 0.00 H new ATOM 0 HA LEU A 43 9.459 -1.253 3.012 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.722 -0.798 1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.498 -2.340 2.089 1.00 0.00 H new ATOM 0 HG LEU A 43 6.653 -0.405 4.263 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.783 -1.959 4.658 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.702 -1.226 3.038 1.00 0.00 H new ATOM 0 HD13 LEU A 43 5.271 -2.902 3.229 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.962 -2.351 5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.536 -3.309 4.357 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.474 -1.903 4.917 1.00 0.00 H new ATOM 677 N GLU A 44 9.958 -1.523 0.548 1.00 0.00 N ATOM 678 CA GLU A 44 10.488 -1.517 -0.811 1.00 0.00 C ATOM 679 C GLU A 44 9.744 -2.520 -1.689 1.00 0.00 C ATOM 680 O GLU A 44 9.208 -3.512 -1.199 1.00 0.00 O ATOM 681 CB GLU A 44 11.983 -1.842 -0.800 1.00 0.00 C ATOM 682 CG GLU A 44 12.752 -1.206 -1.946 1.00 0.00 C ATOM 683 CD GLU A 44 14.229 -1.549 -1.918 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.954 -0.980 -1.075 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.660 -2.385 -2.739 1.00 0.00 O ATOM 0 H GLU A 44 10.184 -2.360 1.086 1.00 0.00 H new ATOM 0 HA GLU A 44 10.344 -0.520 -1.226 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.412 -1.507 0.144 1.00 0.00 H new ATOM 0 HB3 GLU A 44 12.112 -2.924 -0.843 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.324 -1.535 -2.893 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.633 -0.123 -1.902 1.00 0.00 H new ATOM 692 N GLY A 45 9.718 -2.251 -2.991 1.00 0.00 N ATOM 693 CA GLY A 45 9.038 -3.137 -3.917 1.00 0.00 C ATOM 694 C GLY A 45 9.390 -2.846 -5.363 1.00 0.00 C ATOM 695 O GLY A 45 10.335 -2.110 -5.641 1.00 0.00 O ATOM 0 H GLY A 45 10.156 -1.436 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.298 -4.170 -3.684 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.961 -3.041 -3.782 1.00 0.00 H new ATOM 699 N GLU A 46 8.627 -3.426 -6.284 1.00 0.00 N ATOM 700 CA GLU A 46 8.866 -3.226 -7.709 1.00 0.00 C ATOM 701 C GLU A 46 7.571 -2.869 -8.433 1.00 0.00 C ATOM 702 O GLU A 46 6.569 -3.575 -8.320 1.00 0.00 O ATOM 703 CB GLU A 46 9.478 -4.485 -8.328 1.00 0.00 C ATOM 704 CG GLU A 46 9.545 -4.446 -9.845 1.00 0.00 C ATOM 705 CD GLU A 46 10.500 -3.387 -10.361 1.00 0.00 C ATOM 706 OE1 GLU A 46 10.071 -2.224 -10.508 1.00 0.00 O ATOM 707 OE2 GLU A 46 11.675 -3.721 -10.617 1.00 0.00 O ATOM 0 H GLU A 46 7.839 -4.037 -6.070 1.00 0.00 H new ATOM 0 HA GLU A 46 9.565 -2.398 -7.821 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.484 -4.622 -7.932 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.893 -5.352 -8.021 1.00 0.00 H new ATOM 0 HG2 GLU A 46 9.857 -5.422 -10.216 1.00 0.00 H new ATOM 0 HG3 GLU A 46 8.549 -4.256 -10.244 1.00 0.00 H new ATOM 798 N GLY A 52 11.836 2.149 -6.233 1.00 0.00 N ATOM 799 CA GLY A 52 12.240 2.994 -5.125 1.00 0.00 C ATOM 800 C GLY A 52 11.702 2.503 -3.796 1.00 0.00 C ATOM 801 O GLY A 52 11.844 1.327 -3.457 1.00 0.00 O ATOM 0 HA2 GLY A 52 13.328 3.034 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.891 4.011 -5.302 1.00 0.00 H new ATOM 805 N ILE A 53 11.084 3.404 -3.040 1.00 0.00 N ATOM 806 CA ILE A 53 10.523 3.056 -1.740 1.00 0.00 C ATOM 807 C ILE A 53 9.190 3.759 -1.510 1.00 0.00 C ATOM 808 O ILE A 53 8.889 4.768 -2.150 1.00 0.00 O ATOM 809 CB ILE A 53 11.487 3.420 -0.596 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.680 4.936 -0.525 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.824 2.719 -0.786 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.598 5.377 0.593 1.00 0.00 C ATOM 0 H ILE A 53 10.959 4.381 -3.305 1.00 0.00 H new ATOM 0 HA ILE A 53 10.366 1.977 -1.743 1.00 0.00 H new ATOM 0 HB ILE A 53 11.053 3.083 0.345 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.083 5.288 -1.475 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.708 5.412 -0.395 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.494 2.987 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.671 1.640 -0.792 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.265 3.028 -1.734 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.688 6.463 0.583 1.00 0.00 H new ATOM 0 HD12 ILE A 53 12.186 5.056 1.550 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.582 4.930 0.453 1.00 0.00 H new ATOM 824 N PHE A 54 8.394 3.222 -0.592 1.00 0.00 N ATOM 825 CA PHE A 54 7.093 3.798 -0.276 1.00 0.00 C ATOM 826 C PHE A 54 6.651 3.406 1.131 1.00 0.00 C ATOM 827 O PHE A 54 7.056 2.377 1.672 1.00 0.00 O ATOM 828 CB PHE A 54 6.048 3.342 -1.296 1.00 0.00 C ATOM 829 CG PHE A 54 5.969 1.850 -1.447 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.981 1.149 -2.082 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.882 1.147 -0.952 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.910 -0.224 -2.222 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.805 -0.226 -1.089 1.00 0.00 C ATOM 834 CZ PHE A 54 5.822 -0.913 -1.724 1.00 0.00 C ATOM 0 H PHE A 54 8.628 2.388 -0.053 1.00 0.00 H new ATOM 0 HA PHE A 54 7.184 4.883 -0.320 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.071 3.721 -0.997 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.280 3.785 -2.264 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.836 1.682 -2.472 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.085 1.679 -0.453 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.705 -0.758 -2.721 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.951 -0.761 -0.700 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.766 -1.986 -1.831 1.00 0.00 H new ATOM 844 N PRO A 55 5.800 4.245 1.739 1.00 0.00 N ATOM 845 CA PRO A 55 5.285 4.008 3.091 1.00 0.00 C ATOM 846 C PRO A 55 4.315 2.832 3.144 1.00 0.00 C ATOM 847 O PRO A 55 3.663 2.508 2.152 1.00 0.00 O ATOM 848 CB PRO A 55 4.560 5.314 3.429 1.00 0.00 C ATOM 849 CG PRO A 55 4.183 5.890 2.107 1.00 0.00 C ATOM 850 CD PRO A 55 5.276 5.491 1.154 1.00 0.00 C ATOM 0 HA PRO A 55 6.081 3.752 3.791 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.681 5.131 4.046 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.205 5.992 3.987 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.218 5.507 1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.093 6.975 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.892 5.332 0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.048 6.258 1.084 1.00 0.00 H new ATOM 858 N ALA A 56 4.226 2.197 4.308 1.00 0.00 N ATOM 859 CA ALA A 56 3.334 1.059 4.490 1.00 0.00 C ATOM 860 C ALA A 56 1.914 1.518 4.801 1.00 0.00 C ATOM 861 O ALA A 56 0.963 1.126 4.126 1.00 0.00 O ATOM 862 CB ALA A 56 3.853 0.154 5.598 1.00 0.00 C ATOM 0 H ALA A 56 4.761 2.451 5.139 1.00 0.00 H new ATOM 0 HA ALA A 56 3.309 0.496 3.557 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.177 -0.692 5.723 1.00 0.00 H new ATOM 0 HB2 ALA A 56 4.846 -0.211 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.908 0.716 6.531 1.00 0.00 H new ATOM 868 N ASN A 57 1.777 2.351 5.827 1.00 0.00 N ATOM 869 CA ASN A 57 0.472 2.863 6.229 1.00 0.00 C ATOM 870 C ASN A 57 -0.356 3.258 5.009 1.00 0.00 C ATOM 871 O ASN A 57 -1.477 2.783 4.826 1.00 0.00 O ATOM 872 CB ASN A 57 0.636 4.066 7.159 1.00 0.00 C ATOM 873 CG ASN A 57 1.596 5.100 6.602 1.00 0.00 C ATOM 874 OD1 ASN A 57 2.738 4.786 6.267 1.00 0.00 O ATOM 875 ND2 ASN A 57 1.135 6.341 6.502 1.00 0.00 N ATOM 0 H ASN A 57 2.554 2.686 6.396 1.00 0.00 H new ATOM 0 HA ASN A 57 -0.053 2.070 6.762 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.337 4.529 7.325 1.00 0.00 H new ATOM 0 HB3 ASN A 57 0.996 3.725 8.130 1.00 0.00 H new ATOM 0 HD21 ASN A 57 1.735 7.080 6.135 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.181 6.556 6.792 1.00 0.00 H new ATOM 882 N TYR A 58 0.205 4.129 4.178 1.00 0.00 N ATOM 883 CA TYR A 58 -0.481 4.589 2.976 1.00 0.00 C ATOM 884 C TYR A 58 -1.289 3.461 2.344 1.00 0.00 C ATOM 885 O TYR A 58 -2.358 3.689 1.776 1.00 0.00 O ATOM 886 CB TYR A 58 0.529 5.136 1.965 1.00 0.00 C ATOM 887 CG TYR A 58 0.809 6.613 2.129 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.567 7.083 3.194 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.315 7.539 1.218 1.00 0.00 C ATOM 890 CE1 TYR A 58 1.825 8.431 3.347 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.569 8.889 1.363 1.00 0.00 C ATOM 892 CZ TYR A 58 1.324 9.330 2.429 1.00 0.00 C ATOM 893 OH TYR A 58 1.579 10.675 2.578 1.00 0.00 O ATOM 0 H TYR A 58 1.133 4.531 4.314 1.00 0.00 H new ATOM 0 HA TYR A 58 -1.167 5.386 3.263 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.464 4.584 2.063 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.156 4.955 0.957 1.00 0.00 H new ATOM 0 HD1 TYR A 58 1.961 6.382 3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.278 7.197 0.382 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.416 8.779 4.181 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.178 9.595 0.645 1.00 0.00 H new ATOM 0 HH TYR A 58 1.156 11.171 1.847 1.00 0.00 H new ATOM 903 N VAL A 59 -0.772 2.241 2.448 1.00 0.00 N ATOM 904 CA VAL A 59 -1.445 1.074 1.889 1.00 0.00 C ATOM 905 C VAL A 59 -1.796 0.067 2.978 1.00 0.00 C ATOM 906 O VAL A 59 -0.957 -0.278 3.810 1.00 0.00 O ATOM 907 CB VAL A 59 -0.575 0.381 0.824 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.317 1.316 -0.347 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.734 -0.096 1.435 1.00 0.00 C ATOM 0 H VAL A 59 0.111 2.035 2.914 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.362 1.432 1.421 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.114 -0.489 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.299 0.808 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.266 1.603 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.201 2.207 0.006 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.337 -0.583 0.669 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.280 0.757 1.838 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.525 -0.804 2.237 1.00 0.00 H new ATOM 919 N GLU A 60 -3.040 -0.400 2.966 1.00 0.00 N ATOM 920 CA GLU A 60 -3.501 -1.369 3.954 1.00 0.00 C ATOM 921 C GLU A 60 -3.823 -2.707 3.296 1.00 0.00 C ATOM 922 O GLU A 60 -4.297 -2.755 2.160 1.00 0.00 O ATOM 923 CB GLU A 60 -4.736 -0.837 4.684 1.00 0.00 C ATOM 924 CG GLU A 60 -4.944 -1.454 6.057 1.00 0.00 C ATOM 925 CD GLU A 60 -4.065 -0.823 7.120 1.00 0.00 C ATOM 926 OE1 GLU A 60 -2.860 -1.148 7.162 1.00 0.00 O ATOM 927 OE2 GLU A 60 -4.582 -0.005 7.909 1.00 0.00 O ATOM 0 H GLU A 60 -3.746 -0.124 2.284 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.699 -1.523 4.676 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -4.647 0.244 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.618 -1.026 4.073 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.990 -1.346 6.345 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.736 -2.523 6.006 1.00 0.00 H new ATOM 934 N VAL A 61 -3.561 -3.793 4.016 1.00 0.00 N ATOM 935 CA VAL A 61 -3.823 -5.132 3.504 1.00 0.00 C ATOM 936 C VAL A 61 -5.288 -5.295 3.115 1.00 0.00 C ATOM 937 O VAL A 61 -6.178 -5.242 3.966 1.00 0.00 O ATOM 938 CB VAL A 61 -3.455 -6.212 4.539 1.00 0.00 C ATOM 939 CG1 VAL A 61 -3.760 -7.599 3.995 1.00 0.00 C ATOM 940 CG2 VAL A 61 -1.990 -6.094 4.933 1.00 0.00 C ATOM 0 H VAL A 61 -3.167 -3.771 4.957 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.199 -5.260 2.620 1.00 0.00 H new ATOM 0 HB VAL A 61 -4.061 -6.057 5.432 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -3.494 -8.349 4.740 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.823 -7.675 3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -3.182 -7.769 3.087 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.747 -6.864 5.665 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.364 -6.222 4.050 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.808 -5.111 5.367 1.00 0.00 H new