USER MOD reduce.3.24.130724 H: found=0, std=0, add=387, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 378 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 CYS SG : rot 124:sc= -1.31 USER MOD Set 1.2: A 37 CYS SG : rot 180:sc= 0.234 USER MOD Set 1.3: A 61 CYS SG : rot 124:sc= 0.949 USER MOD Set 1.4: A 64 CYS SG : rot -75:sc= -2.99! USER MOD Set 2.1: A 33 THR OG1 : rot -72:sc= 0.107 USER MOD Set 2.2: A 42 HIS : no HE2:sc= -14.7! C(o=-15!,f=-14!) USER MOD Set 3.1: A 18 CYS SG : rot 160:sc= 0.742 USER MOD Set 3.2: A 21 CYS SG : rot -69:sc= -1.37 USER MOD Set 3.3: A 45 HIS : no HD1:sc= -6.57! C(o=-7.8!,f=-8.8!) USER MOD Set 3.4: A 48 CYS SG : rot -170:sc= -0.573 USER MOD Single : A 22 HIS : no HD1:sc= -0.0266 X(o=-0.027,f=-0.46) USER MOD Single : A 23 CYS SG : rot 55:sc= 0.0602 USER MOD Single : A 29 SER OG : rot 150:sc= -0.386 USER MOD Single : A 36 HIS : no HD1:sc= -0.353 X(o=-0.35,f=-0.015) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 50 GLN : amide:sc= -1.07 K(o=-1.1,f=-1.7) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=-0.034) USER MOD Single : A 54 LYS NZ :NH3+ -150:sc= -0.0775 (180deg=-1.12) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot -161:sc= 0.785 USER MOD Single : A 58 THR OG1 : rot -101:sc= 0.00973 USER MOD Single : A 60 CYS SG : rot -110:sc= -1.64 USER MOD Single : A 65 LYS NZ :NH3+ -158:sc= -0.0486 (180deg=-0.322) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ASP A 16 -9.816 -9.107 -6.988 1.00 0.00 N ATOM 178 CA ASP A 16 -8.713 -8.202 -6.687 1.00 0.00 C ATOM 179 C ASP A 16 -9.138 -6.748 -6.870 1.00 0.00 C ATOM 180 O ASP A 16 -9.362 -6.293 -7.992 1.00 0.00 O ATOM 181 CB ASP A 16 -7.512 -8.511 -7.583 1.00 0.00 C ATOM 182 CG ASP A 16 -7.089 -9.964 -7.503 1.00 0.00 C ATOM 183 OD1 ASP A 16 -7.230 -10.564 -6.417 1.00 0.00 O ATOM 184 OD2 ASP A 16 -6.618 -10.502 -8.526 1.00 0.00 O ATOM 0 HA ASP A 16 -8.428 -8.351 -5.646 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -7.760 -8.264 -8.615 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.675 -7.875 -7.295 1.00 0.00 H new ATOM 189 N ILE A 17 -9.249 -6.026 -5.760 1.00 0.00 N ATOM 190 CA ILE A 17 -9.648 -4.624 -5.798 1.00 0.00 C ATOM 191 C ILE A 17 -8.785 -3.782 -4.865 1.00 0.00 C ATOM 192 O ILE A 17 -8.191 -4.297 -3.917 1.00 0.00 O ATOM 193 CB ILE A 17 -11.128 -4.449 -5.408 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.412 -5.143 -4.074 1.00 0.00 C ATOM 195 CG2 ILE A 17 -12.032 -5.000 -6.501 1.00 0.00 C ATOM 196 CD1 ILE A 17 -11.255 -4.234 -2.875 1.00 0.00 C ATOM 0 H ILE A 17 -9.068 -6.388 -4.824 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.509 -4.284 -6.824 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.335 -3.385 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -12.427 -5.540 -4.089 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.739 -5.994 -3.966 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.075 -4.869 -6.211 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.844 -4.465 -7.432 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.825 -6.061 -6.644 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.472 -4.792 -1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -10.233 -3.857 -2.835 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -11.947 -3.396 -2.960 1.00 0.00 H new ATOM 208 N CYS A 18 -8.722 -2.483 -5.138 1.00 0.00 N ATOM 209 CA CYS A 18 -7.934 -1.567 -4.323 1.00 0.00 C ATOM 210 C CYS A 18 -8.114 -1.868 -2.838 1.00 0.00 C ATOM 211 O CYS A 18 -9.069 -2.534 -2.440 1.00 0.00 O ATOM 212 CB CYS A 18 -8.334 -0.119 -4.614 1.00 0.00 C ATOM 213 SG CYS A 18 -7.144 1.118 -4.003 1.00 0.00 S ATOM 0 H CYS A 18 -9.208 -2.041 -5.918 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.883 -1.705 -4.579 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.450 0.005 -5.691 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.307 0.075 -4.164 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.320 2.239 -4.637 1.00 0.00 H new ATOM 218 N ARG A 19 -7.189 -1.371 -2.023 1.00 0.00 N ATOM 219 CA ARG A 19 -7.244 -1.587 -0.582 1.00 0.00 C ATOM 220 C ARG A 19 -7.466 -0.271 0.157 1.00 0.00 C ATOM 221 O ARG A 19 -7.995 -0.253 1.269 1.00 0.00 O ATOM 222 CB ARG A 19 -5.954 -2.247 -0.094 1.00 0.00 C ATOM 223 CG ARG A 19 -4.809 -1.269 0.111 1.00 0.00 C ATOM 224 CD ARG A 19 -3.517 -1.989 0.467 1.00 0.00 C ATOM 225 NE ARG A 19 -2.634 -1.159 1.281 1.00 0.00 N ATOM 226 CZ ARG A 19 -2.701 -1.095 2.607 1.00 0.00 C ATOM 227 NH1 ARG A 19 -3.605 -1.810 3.263 1.00 0.00 N ATOM 228 NH2 ARG A 19 -1.862 -0.316 3.278 1.00 0.00 N ATOM 0 H ARG A 19 -6.393 -0.816 -2.336 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.084 -2.248 -0.371 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -6.153 -2.763 0.846 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.648 -3.005 -0.815 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.662 -0.684 -0.797 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.066 -0.567 0.905 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.750 -2.907 1.006 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -3.000 -2.279 -0.448 1.00 0.00 H new ATOM 0 HE ARG A 19 -1.927 -0.598 0.806 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -4.251 -2.410 2.750 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.655 -1.759 4.281 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -1.165 0.234 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.914 -0.267 4.296 1.00 0.00 H new ATOM 242 N ILE A 20 -7.058 0.829 -0.468 1.00 0.00 N ATOM 243 CA ILE A 20 -7.212 2.149 0.130 1.00 0.00 C ATOM 244 C ILE A 20 -8.634 2.670 -0.049 1.00 0.00 C ATOM 245 O ILE A 20 -9.169 3.358 0.821 1.00 0.00 O ATOM 246 CB ILE A 20 -6.226 3.162 -0.480 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.786 2.672 -0.308 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.406 4.529 0.163 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.784 3.433 -1.147 1.00 0.00 C ATOM 0 H ILE A 20 -6.618 0.832 -1.388 1.00 0.00 H new ATOM 0 HA ILE A 20 -6.998 2.041 1.193 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.434 3.253 -1.546 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.506 2.755 0.742 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.737 1.615 -0.568 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.702 5.234 -0.279 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.424 4.879 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.221 4.454 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.785 3.032 -0.974 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.039 3.329 -2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.804 4.487 -0.871 1.00 0.00 H new ATOM 261 N CYS A 21 -9.242 2.337 -1.183 1.00 0.00 N ATOM 262 CA CYS A 21 -10.603 2.770 -1.477 1.00 0.00 C ATOM 263 C CYS A 21 -11.545 1.574 -1.574 1.00 0.00 C ATOM 264 O CYS A 21 -12.764 1.719 -1.471 1.00 0.00 O ATOM 265 CB CYS A 21 -10.636 3.567 -2.783 1.00 0.00 C ATOM 266 SG CYS A 21 -10.326 2.566 -4.273 1.00 0.00 S ATOM 0 H CYS A 21 -8.813 1.769 -1.913 1.00 0.00 H new ATOM 0 HA CYS A 21 -10.939 3.409 -0.661 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.609 4.048 -2.878 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.891 4.361 -2.730 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.085 2.178 -4.285 1.00 0.00 H new ATOM 271 N HIS A 22 -10.972 0.391 -1.774 1.00 0.00 N ATOM 272 CA HIS A 22 -11.760 -0.831 -1.885 1.00 0.00 C ATOM 273 C HIS A 22 -12.661 -0.787 -3.115 1.00 0.00 C ATOM 274 O HIS A 22 -13.854 -1.084 -3.035 1.00 0.00 O ATOM 275 CB HIS A 22 -12.606 -1.034 -0.627 1.00 0.00 C ATOM 276 CG HIS A 22 -11.794 -1.168 0.625 1.00 0.00 C ATOM 277 ND1 HIS A 22 -12.081 -0.480 1.785 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.700 -1.917 0.895 1.00 0.00 C ATOM 279 CE1 HIS A 22 -11.198 -0.799 2.714 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.348 -1.670 2.199 1.00 0.00 N ATOM 0 H HIS A 22 -9.965 0.253 -1.862 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.071 -1.669 -1.990 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.289 -0.192 -0.519 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -13.218 -1.927 -0.751 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.197 -2.585 0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -11.175 -0.414 3.723 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.559 -2.090 2.690 1.00 0.00 H new ATOM 288 N CYS A 23 -12.083 -0.416 -4.252 1.00 0.00 N ATOM 289 CA CYS A 23 -12.834 -0.332 -5.500 1.00 0.00 C ATOM 290 C CYS A 23 -12.095 -1.043 -6.628 1.00 0.00 C ATOM 291 O CYS A 23 -10.881 -1.235 -6.564 1.00 0.00 O ATOM 292 CB CYS A 23 -13.077 1.131 -5.876 1.00 0.00 C ATOM 293 SG CYS A 23 -14.162 2.016 -4.732 1.00 0.00 S ATOM 0 H CYS A 23 -11.097 -0.169 -4.336 1.00 0.00 H new ATOM 0 HA CYS A 23 -13.794 -0.826 -5.351 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.118 1.647 -5.923 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.510 1.171 -6.875 1.00 0.00 H new ATOM 0 HG CYS A 23 -13.696 1.911 -3.523 1.00 0.00 H new ATOM 299 N GLU A 24 -12.836 -1.434 -7.661 1.00 0.00 N ATOM 300 CA GLU A 24 -12.250 -2.127 -8.802 1.00 0.00 C ATOM 301 C GLU A 24 -11.054 -1.355 -9.352 1.00 0.00 C ATOM 302 O GLU A 24 -10.628 -0.356 -8.775 1.00 0.00 O ATOM 303 CB GLU A 24 -13.296 -2.318 -9.902 1.00 0.00 C ATOM 304 CG GLU A 24 -14.031 -3.646 -9.819 1.00 0.00 C ATOM 305 CD GLU A 24 -13.103 -4.808 -9.524 1.00 0.00 C ATOM 306 OE1 GLU A 24 -11.973 -4.816 -10.055 1.00 0.00 O ATOM 307 OE2 GLU A 24 -13.507 -5.710 -8.760 1.00 0.00 O ATOM 0 H GLU A 24 -13.842 -1.283 -7.731 1.00 0.00 H new ATOM 0 HA GLU A 24 -11.905 -3.104 -8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.022 -1.507 -9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.807 -2.243 -10.873 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.793 -3.588 -9.041 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.549 -3.830 -10.760 1.00 0.00 H new ATOM 314 N GLY A 25 -10.516 -1.828 -10.472 1.00 0.00 N ATOM 315 CA GLY A 25 -9.373 -1.172 -11.081 1.00 0.00 C ATOM 316 C GLY A 25 -9.764 -0.304 -12.260 1.00 0.00 C ATOM 317 O GLY A 25 -10.321 -0.795 -13.243 1.00 0.00 O ATOM 0 H GLY A 25 -10.851 -2.654 -10.969 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.869 -0.559 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.658 -1.926 -11.410 1.00 0.00 H new ATOM 321 N ASP A 26 -9.474 0.988 -12.163 1.00 0.00 N ATOM 322 CA ASP A 26 -9.799 1.927 -13.231 1.00 0.00 C ATOM 323 C ASP A 26 -8.706 1.940 -14.295 1.00 0.00 C ATOM 324 O ASP A 26 -7.735 1.188 -14.211 1.00 0.00 O ATOM 325 CB ASP A 26 -9.991 3.334 -12.661 1.00 0.00 C ATOM 326 CG ASP A 26 -10.972 4.158 -13.472 1.00 0.00 C ATOM 327 OD1 ASP A 26 -12.192 4.013 -13.250 1.00 0.00 O ATOM 328 OD2 ASP A 26 -10.520 4.947 -14.328 1.00 0.00 O ATOM 0 H ASP A 26 -9.014 1.410 -11.356 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.729 1.602 -13.696 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -10.345 3.261 -11.633 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.029 3.845 -12.631 1.00 0.00 H new ATOM 333 N ASP A 27 -8.871 2.799 -15.295 1.00 0.00 N ATOM 334 CA ASP A 27 -7.899 2.910 -16.376 1.00 0.00 C ATOM 335 C ASP A 27 -6.674 3.701 -15.926 1.00 0.00 C ATOM 336 O ASP A 27 -5.538 3.295 -16.169 1.00 0.00 O ATOM 337 CB ASP A 27 -8.534 3.580 -17.595 1.00 0.00 C ATOM 338 CG ASP A 27 -9.447 2.642 -18.360 1.00 0.00 C ATOM 339 OD1 ASP A 27 -9.022 1.504 -18.649 1.00 0.00 O ATOM 340 OD2 ASP A 27 -10.587 3.047 -18.670 1.00 0.00 O ATOM 0 H ASP A 27 -9.669 3.429 -15.379 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.580 1.904 -16.649 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.102 4.452 -17.272 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.748 3.940 -18.259 1.00 0.00 H new ATOM 345 N GLU A 28 -6.915 4.832 -15.269 1.00 0.00 N ATOM 346 CA GLU A 28 -5.831 5.680 -14.788 1.00 0.00 C ATOM 347 C GLU A 28 -5.352 5.223 -13.413 1.00 0.00 C ATOM 348 O GLU A 28 -4.179 5.372 -13.071 1.00 0.00 O ATOM 349 CB GLU A 28 -6.286 7.139 -14.722 1.00 0.00 C ATOM 350 CG GLU A 28 -6.670 7.718 -16.073 1.00 0.00 C ATOM 351 CD GLU A 28 -6.905 9.216 -16.020 1.00 0.00 C ATOM 352 OE1 GLU A 28 -5.937 9.976 -16.225 1.00 0.00 O ATOM 353 OE2 GLU A 28 -8.059 9.626 -15.773 1.00 0.00 O ATOM 0 H GLU A 28 -7.850 5.181 -15.058 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.001 5.597 -15.489 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.139 7.215 -14.048 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.486 7.741 -14.292 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.881 7.503 -16.794 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.573 7.225 -16.432 1.00 0.00 H new ATOM 360 N SER A 29 -6.269 4.665 -12.629 1.00 0.00 N ATOM 361 CA SER A 29 -5.942 4.189 -11.289 1.00 0.00 C ATOM 362 C SER A 29 -6.148 2.681 -11.183 1.00 0.00 C ATOM 363 O SER A 29 -6.866 2.186 -10.314 1.00 0.00 O ATOM 364 CB SER A 29 -6.802 4.907 -10.247 1.00 0.00 C ATOM 365 OG SER A 29 -6.168 6.088 -9.788 1.00 0.00 O ATOM 0 H SER A 29 -7.244 4.531 -12.898 1.00 0.00 H new ATOM 0 HA SER A 29 -4.892 4.409 -11.098 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.771 5.156 -10.680 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.990 4.241 -9.405 1.00 0.00 H new ATOM 0 HG SER A 29 -6.848 6.747 -9.536 1.00 0.00 H new ATOM 371 N PRO A 30 -5.502 1.932 -12.089 1.00 0.00 N ATOM 372 CA PRO A 30 -5.597 0.469 -12.120 1.00 0.00 C ATOM 373 C PRO A 30 -4.892 -0.182 -10.934 1.00 0.00 C ATOM 374 O PRO A 30 -4.091 0.455 -10.249 1.00 0.00 O ATOM 375 CB PRO A 30 -4.897 0.095 -13.429 1.00 0.00 C ATOM 376 CG PRO A 30 -3.958 1.221 -13.691 1.00 0.00 C ATOM 377 CD PRO A 30 -4.629 2.455 -13.154 1.00 0.00 C ATOM 0 HA PRO A 30 -6.630 0.126 -12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.364 -0.851 -13.337 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.614 -0.020 -14.242 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.000 1.053 -13.199 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.756 1.320 -14.757 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.904 3.170 -12.765 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.201 2.970 -13.926 1.00 0.00 H new ATOM 385 N LEU A 31 -5.194 -1.454 -10.698 1.00 0.00 N ATOM 386 CA LEU A 31 -4.588 -2.192 -9.595 1.00 0.00 C ATOM 387 C LEU A 31 -3.181 -2.657 -9.959 1.00 0.00 C ATOM 388 O LEU A 31 -3.009 -3.623 -10.701 1.00 0.00 O ATOM 389 CB LEU A 31 -5.456 -3.396 -9.224 1.00 0.00 C ATOM 390 CG LEU A 31 -6.916 -3.093 -8.887 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.709 -4.382 -8.743 1.00 0.00 C ATOM 392 CD2 LEU A 31 -7.008 -2.263 -7.614 1.00 0.00 C ATOM 0 H LEU A 31 -5.855 -1.996 -11.255 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.519 -1.524 -8.737 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.435 -4.103 -10.053 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.003 -3.895 -8.368 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.346 -2.516 -9.706 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.746 -4.146 -8.503 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.671 -4.939 -9.679 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.280 -4.986 -7.943 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.054 -2.057 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.561 -2.815 -6.787 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.475 -1.323 -7.753 1.00 0.00 H new ATOM 404 N ILE A 32 -2.180 -1.963 -9.428 1.00 0.00 N ATOM 405 CA ILE A 32 -0.788 -2.308 -9.694 1.00 0.00 C ATOM 406 C ILE A 32 -0.048 -2.640 -8.403 1.00 0.00 C ATOM 407 O ILE A 32 -0.430 -2.193 -7.322 1.00 0.00 O ATOM 408 CB ILE A 32 -0.053 -1.162 -10.414 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.153 0.129 -9.599 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.624 -0.960 -11.810 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.937 1.130 -9.916 1.00 0.00 C ATOM 0 H ILE A 32 -2.306 -1.160 -8.812 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.797 -3.186 -10.340 1.00 0.00 H new ATOM 0 HB ILE A 32 1.000 -1.429 -10.509 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.123 0.590 -9.782 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.112 -0.117 -8.538 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.094 -0.147 -12.306 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.505 -1.876 -12.388 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.683 -0.712 -11.738 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.803 2.020 -9.301 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.910 0.687 -9.706 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.883 1.405 -10.969 1.00 0.00 H new ATOM 423 N THR A 33 1.016 -3.428 -8.524 1.00 0.00 N ATOM 424 CA THR A 33 1.812 -3.820 -7.368 1.00 0.00 C ATOM 425 C THR A 33 2.811 -2.731 -6.992 1.00 0.00 C ATOM 426 O THR A 33 3.743 -2.428 -7.737 1.00 0.00 O ATOM 427 CB THR A 33 2.574 -5.132 -7.629 1.00 0.00 C ATOM 428 OG1 THR A 33 1.680 -6.124 -8.147 1.00 0.00 O ATOM 429 CG2 THR A 33 3.224 -5.645 -6.353 1.00 0.00 C ATOM 0 H THR A 33 1.346 -3.807 -9.411 1.00 0.00 H new ATOM 0 HA THR A 33 1.116 -3.971 -6.543 1.00 0.00 H new ATOM 0 HB THR A 33 3.357 -4.931 -8.361 1.00 0.00 H new ATOM 0 HG1 THR A 33 1.081 -6.429 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.756 -6.573 -6.563 1.00 0.00 H new ATOM 0 HG22 THR A 33 3.926 -4.901 -5.978 1.00 0.00 H new ATOM 0 HG23 THR A 33 2.456 -5.830 -5.602 1.00 0.00 H new ATOM 437 N PRO A 34 2.614 -2.129 -5.810 1.00 0.00 N ATOM 438 CA PRO A 34 3.489 -1.065 -5.309 1.00 0.00 C ATOM 439 C PRO A 34 4.871 -1.583 -4.926 1.00 0.00 C ATOM 440 O PRO A 34 5.889 -0.978 -5.264 1.00 0.00 O ATOM 441 CB PRO A 34 2.749 -0.551 -4.072 1.00 0.00 C ATOM 442 CG PRO A 34 1.917 -1.701 -3.623 1.00 0.00 C ATOM 443 CD PRO A 34 1.523 -2.440 -4.872 1.00 0.00 C ATOM 0 HA PRO A 34 3.672 -0.299 -6.063 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.447 -0.240 -3.294 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.131 0.315 -4.311 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.477 -2.348 -2.947 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.037 -1.357 -3.079 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.439 -3.512 -4.695 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.558 -2.103 -5.251 1.00 0.00 H new ATOM 451 N CYS A 35 4.901 -2.708 -4.218 1.00 0.00 N ATOM 452 CA CYS A 35 6.158 -3.308 -3.789 1.00 0.00 C ATOM 453 C CYS A 35 6.081 -4.831 -3.845 1.00 0.00 C ATOM 454 O CYS A 35 5.083 -5.397 -4.294 1.00 0.00 O ATOM 455 CB CYS A 35 6.504 -2.857 -2.368 1.00 0.00 C ATOM 456 SG CYS A 35 5.232 -3.262 -1.129 1.00 0.00 S ATOM 0 H CYS A 35 4.068 -3.222 -3.930 1.00 0.00 H new ATOM 0 HA CYS A 35 6.941 -2.975 -4.470 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.445 -3.319 -2.071 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.664 -1.779 -2.369 1.00 0.00 H new ATOM 0 HG CYS A 35 5.763 -3.971 -0.177 1.00 0.00 H new ATOM 461 N HIS A 36 7.141 -5.490 -3.388 1.00 0.00 N ATOM 462 CA HIS A 36 7.193 -6.947 -3.385 1.00 0.00 C ATOM 463 C HIS A 36 6.111 -7.528 -2.481 1.00 0.00 C ATOM 464 O HIS A 36 5.491 -8.541 -2.808 1.00 0.00 O ATOM 465 CB HIS A 36 8.570 -7.429 -2.927 1.00 0.00 C ATOM 466 CG HIS A 36 9.675 -7.069 -3.871 1.00 0.00 C ATOM 467 ND1 HIS A 36 10.630 -7.971 -4.291 1.00 0.00 N ATOM 468 CD2 HIS A 36 9.975 -5.897 -4.478 1.00 0.00 C ATOM 469 CE1 HIS A 36 11.469 -7.369 -5.115 1.00 0.00 C ATOM 470 NE2 HIS A 36 11.093 -6.110 -5.246 1.00 0.00 N ATOM 0 H HIS A 36 7.976 -5.038 -3.015 1.00 0.00 H new ATOM 0 HA HIS A 36 7.015 -7.294 -4.403 1.00 0.00 H new ATOM 0 HB2 HIS A 36 8.787 -7.004 -1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.545 -8.512 -2.806 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.435 -4.967 -4.377 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.318 -7.828 -5.599 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.558 -5.410 -5.824 1.00 0.00 H new ATOM 478 N CYS A 37 5.888 -6.882 -1.341 1.00 0.00 N ATOM 479 CA CYS A 37 4.882 -7.334 -0.388 1.00 0.00 C ATOM 480 C CYS A 37 3.617 -7.790 -1.109 1.00 0.00 C ATOM 481 O CYS A 37 2.824 -6.972 -1.575 1.00 0.00 O ATOM 482 CB CYS A 37 4.545 -6.214 0.598 1.00 0.00 C ATOM 483 SG CYS A 37 5.937 -5.715 1.662 1.00 0.00 S ATOM 0 H CYS A 37 6.392 -6.042 -1.055 1.00 0.00 H new ATOM 0 HA CYS A 37 5.292 -8.182 0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.199 -5.344 0.039 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.717 -6.537 1.229 1.00 0.00 H new ATOM 0 HG CYS A 37 5.554 -4.762 2.459 1.00 0.00 H new ATOM 520 N LEU A 41 -4.917 -7.766 -0.788 1.00 0.00 N ATOM 521 CA LEU A 41 -5.443 -6.661 -1.582 1.00 0.00 C ATOM 522 C LEU A 41 -4.383 -5.583 -1.784 1.00 0.00 C ATOM 523 O LEU A 41 -4.698 -4.445 -2.134 1.00 0.00 O ATOM 524 CB LEU A 41 -6.675 -6.060 -0.902 1.00 0.00 C ATOM 525 CG LEU A 41 -7.722 -7.058 -0.406 1.00 0.00 C ATOM 526 CD1 LEU A 41 -8.028 -8.089 -1.481 1.00 0.00 C ATOM 527 CD2 LEU A 41 -7.247 -7.740 0.869 1.00 0.00 C ATOM 0 HA LEU A 41 -5.729 -7.051 -2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -6.342 -5.462 -0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -7.156 -5.378 -1.603 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.639 -6.512 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.775 -8.791 -1.110 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.412 -7.586 -2.369 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.117 -8.630 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.005 -8.447 1.208 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.316 -8.272 0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.079 -6.990 1.642 1.00 0.00 H new ATOM 539 N HIS A 42 -3.125 -5.949 -1.562 1.00 0.00 N ATOM 540 CA HIS A 42 -2.017 -5.014 -1.723 1.00 0.00 C ATOM 541 C HIS A 42 -2.189 -4.179 -2.988 1.00 0.00 C ATOM 542 O HIS A 42 -1.768 -3.023 -3.044 1.00 0.00 O ATOM 543 CB HIS A 42 -0.688 -5.768 -1.772 1.00 0.00 C ATOM 544 CG HIS A 42 -0.338 -6.275 -3.138 1.00 0.00 C ATOM 545 ND1 HIS A 42 -0.066 -7.601 -3.402 1.00 0.00 N ATOM 546 CD2 HIS A 42 -0.217 -5.625 -4.319 1.00 0.00 C ATOM 547 CE1 HIS A 42 0.208 -7.744 -4.686 1.00 0.00 C ATOM 548 NE2 HIS A 42 0.123 -6.560 -5.265 1.00 0.00 N ATOM 0 H HIS A 42 -2.847 -6.886 -1.270 1.00 0.00 H new ATOM 0 HA HIS A 42 -2.014 -4.343 -0.864 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.107 -5.109 -1.423 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.731 -6.610 -1.081 1.00 0.00 H new ATOM 0 HD1 HIS A 42 -0.075 -8.353 -2.713 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.361 -4.568 -4.486 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.459 -8.672 -5.179 1.00 0.00 H new ATOM 556 N PHE A 43 -2.810 -4.772 -4.002 1.00 0.00 N ATOM 557 CA PHE A 43 -3.037 -4.084 -5.268 1.00 0.00 C ATOM 558 C PHE A 43 -3.785 -2.772 -5.047 1.00 0.00 C ATOM 559 O PHE A 43 -5.015 -2.746 -4.999 1.00 0.00 O ATOM 560 CB PHE A 43 -3.826 -4.979 -6.225 1.00 0.00 C ATOM 561 CG PHE A 43 -3.537 -6.443 -6.052 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.305 -6.966 -6.408 1.00 0.00 C ATOM 563 CD2 PHE A 43 -4.499 -7.296 -5.534 1.00 0.00 C ATOM 564 CE1 PHE A 43 -2.037 -8.313 -6.251 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.236 -8.643 -5.374 1.00 0.00 C ATOM 566 CZ PHE A 43 -3.003 -9.152 -5.732 1.00 0.00 C ATOM 0 H PHE A 43 -3.165 -5.728 -3.972 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.066 -3.859 -5.710 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -4.892 -4.807 -6.075 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.598 -4.690 -7.251 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.545 -6.314 -6.813 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -5.465 -6.903 -5.252 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.073 -8.709 -6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -4.994 -9.297 -4.969 1.00 0.00 H new ATOM 0 HZ PHE A 43 -2.795 -10.204 -5.606 1.00 0.00 H new ATOM 576 N VAL A 44 -3.032 -1.684 -4.913 1.00 0.00 N ATOM 577 CA VAL A 44 -3.622 -0.369 -4.698 1.00 0.00 C ATOM 578 C VAL A 44 -3.677 0.428 -5.997 1.00 0.00 C ATOM 579 O VAL A 44 -3.159 -0.006 -7.027 1.00 0.00 O ATOM 580 CB VAL A 44 -2.833 0.436 -3.648 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.544 -0.421 -2.425 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.543 0.974 -4.249 1.00 0.00 C ATOM 0 H VAL A 44 -2.013 -1.688 -4.950 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.636 -0.533 -4.332 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.441 1.284 -3.333 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.986 0.164 -1.694 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.483 -0.753 -1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.955 -1.289 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.998 1.540 -3.494 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.928 0.143 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.778 1.625 -5.091 1.00 0.00 H new ATOM 592 N HIS A 45 -4.308 1.597 -5.942 1.00 0.00 N ATOM 593 CA HIS A 45 -4.429 2.456 -7.115 1.00 0.00 C ATOM 594 C HIS A 45 -3.283 3.461 -7.173 1.00 0.00 C ATOM 595 O HIS A 45 -3.006 4.157 -6.196 1.00 0.00 O ATOM 596 CB HIS A 45 -5.769 3.193 -7.096 1.00 0.00 C ATOM 597 CG HIS A 45 -6.938 2.319 -7.432 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.245 2.684 -7.187 1.00 0.00 N ATOM 599 CD2 HIS A 45 -6.991 1.091 -7.999 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.052 1.717 -7.587 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.316 0.740 -8.084 1.00 0.00 N ATOM 0 H HIS A 45 -4.743 1.971 -5.099 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.381 1.826 -8.003 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.922 3.626 -6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.729 4.021 -7.804 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.149 0.498 -8.324 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.130 1.725 -7.519 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -8.674 -0.134 -8.469 1.00 0.00 H new ATOM 609 N GLN A 46 -2.621 3.530 -8.323 1.00 0.00 N ATOM 610 CA GLN A 46 -1.504 4.449 -8.507 1.00 0.00 C ATOM 611 C GLN A 46 -1.788 5.792 -7.842 1.00 0.00 C ATOM 612 O GLN A 46 -0.908 6.385 -7.219 1.00 0.00 O ATOM 613 CB GLN A 46 -1.224 4.654 -9.997 1.00 0.00 C ATOM 614 CG GLN A 46 0.041 5.450 -10.275 1.00 0.00 C ATOM 615 CD GLN A 46 0.561 5.246 -11.684 1.00 0.00 C ATOM 616 OE1 GLN A 46 0.902 4.130 -12.077 1.00 0.00 O ATOM 617 NE2 GLN A 46 0.624 6.325 -12.455 1.00 0.00 N ATOM 0 H GLN A 46 -2.838 2.961 -9.141 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.625 4.010 -8.036 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.144 3.680 -10.480 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.073 5.166 -10.450 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.159 6.510 -10.115 1.00 0.00 H new ATOM 0 HG3 GLN A 46 0.812 5.160 -9.562 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.331 7.231 -12.089 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.965 6.248 -13.413 1.00 0.00 H new ATOM 626 N ALA A 47 -3.023 6.264 -7.978 1.00 0.00 N ATOM 627 CA ALA A 47 -3.423 7.536 -7.389 1.00 0.00 C ATOM 628 C ALA A 47 -3.571 7.417 -5.876 1.00 0.00 C ATOM 629 O ALA A 47 -2.892 8.112 -5.119 1.00 0.00 O ATOM 630 CB ALA A 47 -4.724 8.020 -8.012 1.00 0.00 C ATOM 0 H ALA A 47 -3.763 5.785 -8.491 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.641 8.266 -7.595 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -5.011 8.971 -7.563 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.586 8.153 -9.085 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.508 7.284 -7.835 1.00 0.00 H new ATOM 636 N CYS A 48 -4.464 6.534 -5.441 1.00 0.00 N ATOM 637 CA CYS A 48 -4.703 6.325 -4.018 1.00 0.00 C ATOM 638 C CYS A 48 -3.387 6.287 -3.246 1.00 0.00 C ATOM 639 O CYS A 48 -3.251 6.920 -2.198 1.00 0.00 O ATOM 640 CB CYS A 48 -5.476 5.024 -3.795 1.00 0.00 C ATOM 641 SG CYS A 48 -7.239 5.120 -4.242 1.00 0.00 S ATOM 0 H CYS A 48 -5.034 5.951 -6.054 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.297 7.160 -3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.007 4.231 -4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.393 4.740 -2.746 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.851 4.051 -3.827 1.00 0.00 H new ATOM 646 N LEU A 49 -2.421 5.541 -3.770 1.00 0.00 N ATOM 647 CA LEU A 49 -1.116 5.419 -3.131 1.00 0.00 C ATOM 648 C LEU A 49 -0.606 6.781 -2.671 1.00 0.00 C ATOM 649 O LEU A 49 -0.128 6.928 -1.546 1.00 0.00 O ATOM 650 CB LEU A 49 -0.111 4.785 -4.094 1.00 0.00 C ATOM 651 CG LEU A 49 1.330 4.686 -3.592 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.399 3.836 -2.333 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.234 4.114 -4.674 1.00 0.00 C ATOM 0 H LEU A 49 -2.517 5.011 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.226 4.778 -2.257 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.458 3.782 -4.341 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.113 5.360 -5.020 1.00 0.00 H new ATOM 0 HG LEU A 49 1.679 5.689 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.432 3.777 -1.990 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.784 4.288 -1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.031 2.833 -2.550 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.255 4.051 -4.299 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.886 3.118 -4.950 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.209 4.762 -5.550 1.00 0.00 H new ATOM 665 N GLN A 50 -0.714 7.775 -3.547 1.00 0.00 N ATOM 666 CA GLN A 50 -0.265 9.125 -3.229 1.00 0.00 C ATOM 667 C GLN A 50 -0.865 9.602 -1.911 1.00 0.00 C ATOM 668 O GLN A 50 -0.140 9.925 -0.970 1.00 0.00 O ATOM 669 CB GLN A 50 -0.646 10.089 -4.354 1.00 0.00 C ATOM 670 CG GLN A 50 -0.117 9.673 -5.717 1.00 0.00 C ATOM 671 CD GLN A 50 -0.978 10.180 -6.857 1.00 0.00 C ATOM 672 OE1 GLN A 50 -1.879 10.995 -6.655 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.705 9.700 -8.065 1.00 0.00 N ATOM 0 H GLN A 50 -1.108 7.671 -4.482 1.00 0.00 H new ATOM 0 HA GLN A 50 0.820 9.106 -3.127 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.732 10.166 -4.403 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -0.267 11.082 -4.114 1.00 0.00 H new ATOM 0 HG2 GLN A 50 0.899 10.050 -5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.062 8.585 -5.764 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.051 9.026 -8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -1.251 10.005 -8.871 1.00 0.00 H new ATOM 682 N GLN A 51 -2.192 9.644 -1.850 1.00 0.00 N ATOM 683 CA GLN A 51 -2.888 10.082 -0.646 1.00 0.00 C ATOM 684 C GLN A 51 -2.310 9.407 0.593 1.00 0.00 C ATOM 685 O GLN A 51 -2.239 10.010 1.664 1.00 0.00 O ATOM 686 CB GLN A 51 -4.383 9.779 -0.757 1.00 0.00 C ATOM 687 CG GLN A 51 -5.242 10.602 0.189 1.00 0.00 C ATOM 688 CD GLN A 51 -6.599 9.975 0.440 1.00 0.00 C ATOM 689 OE1 GLN A 51 -6.696 8.865 0.963 1.00 0.00 O ATOM 690 NE2 GLN A 51 -7.658 10.685 0.066 1.00 0.00 N ATOM 0 H GLN A 51 -2.807 9.380 -2.620 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.750 11.159 -0.548 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.707 9.962 -1.781 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.547 8.720 -0.555 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.719 10.720 1.138 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -5.379 11.601 -0.226 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -7.532 11.601 -0.364 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -8.597 10.314 0.209 1.00 0.00 H new ATOM 699 N TRP A 52 -1.899 8.153 0.440 1.00 0.00 N ATOM 700 CA TRP A 52 -1.328 7.396 1.548 1.00 0.00 C ATOM 701 C TRP A 52 0.090 7.865 1.854 1.00 0.00 C ATOM 702 O TRP A 52 0.450 8.067 3.014 1.00 0.00 O ATOM 703 CB TRP A 52 -1.325 5.901 1.223 1.00 0.00 C ATOM 704 CG TRP A 52 -0.546 5.081 2.206 1.00 0.00 C ATOM 705 CD1 TRP A 52 -1.038 4.430 3.302 1.00 0.00 C ATOM 706 CD2 TRP A 52 0.862 4.825 2.183 1.00 0.00 C ATOM 707 NE1 TRP A 52 -0.019 3.786 3.962 1.00 0.00 N ATOM 708 CE2 TRP A 52 1.156 4.012 3.295 1.00 0.00 C ATOM 709 CE3 TRP A 52 1.904 5.202 1.331 1.00 0.00 C ATOM 710 CZ2 TRP A 52 2.447 3.572 3.575 1.00 0.00 C ATOM 711 CZ3 TRP A 52 3.184 4.765 1.610 1.00 0.00 C ATOM 712 CH2 TRP A 52 3.447 3.956 2.724 1.00 0.00 C ATOM 0 H TRP A 52 -1.951 7.639 -0.440 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.946 7.568 2.430 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.353 5.541 1.194 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -0.908 5.754 0.227 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.075 4.423 3.605 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.121 3.230 4.811 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.711 5.824 0.470 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.652 2.950 4.434 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.996 5.052 0.959 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.459 3.629 2.914 1.00 0.00 H new ATOM 723 N ILE A 53 0.891 8.036 0.807 1.00 0.00 N ATOM 724 CA ILE A 53 2.270 8.482 0.966 1.00 0.00 C ATOM 725 C ILE A 53 2.351 9.704 1.875 1.00 0.00 C ATOM 726 O ILE A 53 3.097 9.715 2.854 1.00 0.00 O ATOM 727 CB ILE A 53 2.911 8.823 -0.392 1.00 0.00 C ATOM 728 CG1 ILE A 53 3.200 7.544 -1.180 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.186 9.627 -0.189 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.771 7.799 -2.558 1.00 0.00 C ATOM 0 H ILE A 53 0.609 7.873 -0.160 1.00 0.00 H new ATOM 0 HA ILE A 53 2.818 7.657 1.421 1.00 0.00 H new ATOM 0 HB ILE A 53 2.210 9.430 -0.966 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.899 6.928 -0.614 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.278 6.971 -1.278 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.627 9.860 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.952 10.553 0.336 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.893 9.044 0.401 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.951 6.848 -3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.064 8.388 -3.142 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.710 8.345 -2.467 1.00 0.00 H new ATOM 742 N LYS A 54 1.577 10.732 1.545 1.00 0.00 N ATOM 743 CA LYS A 54 1.557 11.959 2.333 1.00 0.00 C ATOM 744 C LYS A 54 1.454 11.648 3.822 1.00 0.00 C ATOM 745 O LYS A 54 2.358 11.964 4.596 1.00 0.00 O ATOM 746 CB LYS A 54 0.386 12.846 1.904 1.00 0.00 C ATOM 747 CG LYS A 54 0.551 13.443 0.517 1.00 0.00 C ATOM 748 CD LYS A 54 -0.596 14.378 0.172 1.00 0.00 C ATOM 749 CE LYS A 54 -0.301 15.806 0.605 1.00 0.00 C ATOM 750 NZ LYS A 54 -0.668 16.040 2.029 1.00 0.00 N ATOM 0 H LYS A 54 0.955 10.740 0.737 1.00 0.00 H new ATOM 0 HA LYS A 54 2.492 12.491 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.532 12.259 1.931 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.269 13.654 2.627 1.00 0.00 H new ATOM 0 HG2 LYS A 54 1.494 13.987 0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 54 0.603 12.642 -0.221 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.777 14.353 -0.903 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.508 14.031 0.657 1.00 0.00 H new ATOM 0 HE2 LYS A 54 0.759 16.017 0.464 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -0.851 16.499 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.943 17.035 2.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -1.465 15.424 2.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.147 15.825 2.638 1.00 0.00 H new ATOM 764 N SER A 55 0.348 11.026 4.217 1.00 0.00 N ATOM 765 CA SER A 55 0.126 10.674 5.615 1.00 0.00 C ATOM 766 C SER A 55 1.255 9.791 6.138 1.00 0.00 C ATOM 767 O SER A 55 1.974 10.168 7.063 1.00 0.00 O ATOM 768 CB SER A 55 -1.215 9.955 5.775 1.00 0.00 C ATOM 769 OG SER A 55 -2.272 10.881 5.955 1.00 0.00 O ATOM 0 H SER A 55 -0.409 10.755 3.589 1.00 0.00 H new ATOM 0 HA SER A 55 0.108 11.595 6.198 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.410 9.342 4.895 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.169 9.280 6.629 1.00 0.00 H new ATOM 0 HG SER A 55 -3.118 10.397 6.053 1.00 0.00 H new ATOM 775 N SER A 56 1.404 8.614 5.540 1.00 0.00 N ATOM 776 CA SER A 56 2.442 7.675 5.947 1.00 0.00 C ATOM 777 C SER A 56 3.785 8.383 6.102 1.00 0.00 C ATOM 778 O SER A 56 4.643 7.949 6.870 1.00 0.00 O ATOM 779 CB SER A 56 2.564 6.542 4.926 1.00 0.00 C ATOM 780 OG SER A 56 2.768 7.053 3.620 1.00 0.00 O ATOM 0 H SER A 56 0.818 8.288 4.771 1.00 0.00 H new ATOM 0 HA SER A 56 2.159 7.255 6.912 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.394 5.890 5.199 1.00 0.00 H new ATOM 0 HB3 SER A 56 1.661 5.932 4.945 1.00 0.00 H new ATOM 0 HG SER A 56 2.539 6.366 2.960 1.00 0.00 H new ATOM 786 N ASP A 57 3.958 9.475 5.366 1.00 0.00 N ATOM 787 CA ASP A 57 5.195 10.246 5.421 1.00 0.00 C ATOM 788 C ASP A 57 6.377 9.411 4.937 1.00 0.00 C ATOM 789 O ASP A 57 7.436 9.391 5.565 1.00 0.00 O ATOM 790 CB ASP A 57 5.452 10.738 6.846 1.00 0.00 C ATOM 791 CG ASP A 57 4.687 12.007 7.167 1.00 0.00 C ATOM 792 OD1 ASP A 57 4.316 12.731 6.220 1.00 0.00 O ATOM 793 OD2 ASP A 57 4.459 12.276 8.365 1.00 0.00 O ATOM 0 H ASP A 57 3.258 9.847 4.724 1.00 0.00 H new ATOM 0 HA ASP A 57 5.087 11.107 4.762 1.00 0.00 H new ATOM 0 HB2 ASP A 57 5.169 9.958 7.553 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.519 10.917 6.979 1.00 0.00 H new ATOM 798 N THR A 58 6.188 8.721 3.816 1.00 0.00 N ATOM 799 CA THR A 58 7.237 7.883 3.249 1.00 0.00 C ATOM 800 C THR A 58 6.877 7.430 1.839 1.00 0.00 C ATOM 801 O THR A 58 5.799 6.883 1.608 1.00 0.00 O ATOM 802 CB THR A 58 7.498 6.641 4.123 1.00 0.00 C ATOM 803 OG1 THR A 58 8.686 5.974 3.684 1.00 0.00 O ATOM 804 CG2 THR A 58 6.319 5.681 4.065 1.00 0.00 C ATOM 0 H THR A 58 5.318 8.726 3.283 1.00 0.00 H new ATOM 0 HA THR A 58 8.141 8.490 3.213 1.00 0.00 H new ATOM 0 HB THR A 58 7.627 6.970 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.442 5.199 3.136 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.526 4.812 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.422 6.183 4.428 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.162 5.359 3.036 1.00 0.00 H new ATOM 812 N ARG A 59 7.786 7.662 0.898 1.00 0.00 N ATOM 813 CA ARG A 59 7.564 7.279 -0.491 1.00 0.00 C ATOM 814 C ARG A 59 7.741 5.774 -0.675 1.00 0.00 C ATOM 815 O ARG A 59 7.073 5.158 -1.506 1.00 0.00 O ATOM 816 CB ARG A 59 8.526 8.033 -1.411 1.00 0.00 C ATOM 817 CG ARG A 59 8.099 9.463 -1.697 1.00 0.00 C ATOM 818 CD ARG A 59 8.357 10.371 -0.504 1.00 0.00 C ATOM 819 NE ARG A 59 9.771 10.710 -0.371 1.00 0.00 N ATOM 820 CZ ARG A 59 10.315 11.163 0.754 1.00 0.00 C ATOM 821 NH1 ARG A 59 9.568 11.328 1.836 1.00 0.00 N ATOM 822 NH2 ARG A 59 11.610 11.450 0.797 1.00 0.00 N ATOM 0 H ARG A 59 8.684 8.114 1.072 1.00 0.00 H new ATOM 0 HA ARG A 59 6.540 7.542 -0.755 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.517 8.042 -0.957 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.612 7.493 -2.354 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.640 9.839 -2.565 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.039 9.484 -1.949 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.773 11.285 -0.611 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.015 9.879 0.407 1.00 0.00 H new ATOM 0 HE ARG A 59 10.374 10.593 -1.185 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.573 11.107 1.807 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.988 11.676 2.698 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.188 11.323 -0.034 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.027 11.798 1.661 1.00 0.00 H new ATOM 836 N CYS A 60 8.645 5.191 0.105 1.00 0.00 N ATOM 837 CA CYS A 60 8.911 3.759 0.027 1.00 0.00 C ATOM 838 C CYS A 60 8.056 2.992 1.031 1.00 0.00 C ATOM 839 O CYS A 60 7.340 3.588 1.836 1.00 0.00 O ATOM 840 CB CYS A 60 10.393 3.480 0.283 1.00 0.00 C ATOM 841 SG CYS A 60 11.515 4.432 -0.768 1.00 0.00 S ATOM 0 H CYS A 60 9.205 5.687 0.798 1.00 0.00 H new ATOM 0 HA CYS A 60 8.653 3.420 -0.976 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.618 3.698 1.327 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.583 2.418 0.131 1.00 0.00 H new ATOM 0 HG CYS A 60 12.092 3.637 -1.619 1.00 0.00 H new ATOM 847 N CYS A 61 8.135 1.667 0.976 1.00 0.00 N ATOM 848 CA CYS A 61 7.368 0.816 1.878 1.00 0.00 C ATOM 849 C CYS A 61 7.774 1.056 3.329 1.00 0.00 C ATOM 850 O CYS A 61 8.758 1.743 3.603 1.00 0.00 O ATOM 851 CB CYS A 61 7.568 -0.657 1.517 1.00 0.00 C ATOM 852 SG CYS A 61 6.320 -1.774 2.234 1.00 0.00 S ATOM 0 H CYS A 61 8.723 1.159 0.316 1.00 0.00 H new ATOM 0 HA CYS A 61 6.314 1.070 1.768 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.551 -0.760 0.432 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.557 -0.971 1.852 1.00 0.00 H new ATOM 0 HG CYS A 61 5.746 -2.450 1.284 1.00 0.00 H new ATOM 857 N GLU A 62 7.010 0.484 4.254 1.00 0.00 N ATOM 858 CA GLU A 62 7.291 0.637 5.677 1.00 0.00 C ATOM 859 C GLU A 62 8.110 -0.540 6.199 1.00 0.00 C ATOM 860 O GLU A 62 8.914 -0.391 7.120 1.00 0.00 O ATOM 861 CB GLU A 62 5.986 0.754 6.467 1.00 0.00 C ATOM 862 CG GLU A 62 6.184 0.754 7.974 1.00 0.00 C ATOM 863 CD GLU A 62 7.225 1.761 8.424 1.00 0.00 C ATOM 864 OE1 GLU A 62 7.373 2.804 7.753 1.00 0.00 O ATOM 865 OE2 GLU A 62 7.892 1.506 9.449 1.00 0.00 O ATOM 0 H GLU A 62 6.193 -0.089 4.044 1.00 0.00 H new ATOM 0 HA GLU A 62 7.872 1.550 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.476 1.672 6.176 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.331 -0.074 6.195 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.235 0.975 8.462 1.00 0.00 H new ATOM 0 HG3 GLU A 62 6.484 -0.243 8.298 1.00 0.00 H new ATOM 872 N LEU A 63 7.901 -1.709 5.604 1.00 0.00 N ATOM 873 CA LEU A 63 8.619 -2.913 6.008 1.00 0.00 C ATOM 874 C LEU A 63 9.783 -3.195 5.064 1.00 0.00 C ATOM 875 O LEU A 63 10.940 -3.236 5.482 1.00 0.00 O ATOM 876 CB LEU A 63 7.669 -4.112 6.038 1.00 0.00 C ATOM 877 CG LEU A 63 6.364 -3.914 6.810 1.00 0.00 C ATOM 878 CD1 LEU A 63 5.359 -4.996 6.444 1.00 0.00 C ATOM 879 CD2 LEU A 63 6.625 -3.910 8.309 1.00 0.00 C ATOM 0 H LEU A 63 7.240 -1.849 4.840 1.00 0.00 H new ATOM 0 HA LEU A 63 9.018 -2.749 7.009 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.423 -4.381 5.011 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.199 -4.960 6.472 1.00 0.00 H new ATOM 0 HG LEU A 63 5.944 -2.947 6.533 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.436 -4.840 7.003 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.148 -4.951 5.376 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.771 -5.974 6.691 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.685 -3.768 8.842 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.069 -4.861 8.604 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.309 -3.098 8.557 1.00 0.00 H new ATOM 891 N CYS A 64 9.469 -3.388 3.787 1.00 0.00 N ATOM 892 CA CYS A 64 10.487 -3.665 2.782 1.00 0.00 C ATOM 893 C CYS A 64 11.199 -2.383 2.361 1.00 0.00 C ATOM 894 O CYS A 64 12.228 -2.423 1.686 1.00 0.00 O ATOM 895 CB CYS A 64 9.858 -4.337 1.559 1.00 0.00 C ATOM 896 SG CYS A 64 8.848 -3.219 0.535 1.00 0.00 S ATOM 0 H CYS A 64 8.516 -3.357 3.424 1.00 0.00 H new ATOM 0 HA CYS A 64 11.221 -4.340 3.222 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.651 -4.761 0.942 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.236 -5.167 1.893 1.00 0.00 H new ATOM 0 HG CYS A 64 7.715 -2.990 1.130 1.00 0.00 H new ATOM 901 N LYS A 65 10.645 -1.245 2.765 1.00 0.00 N ATOM 902 CA LYS A 65 11.226 0.050 2.433 1.00 0.00 C ATOM 903 C LYS A 65 11.550 0.136 0.945 1.00 0.00 C ATOM 904 O LYS A 65 12.629 0.585 0.560 1.00 0.00 O ATOM 905 CB LYS A 65 12.493 0.290 3.257 1.00 0.00 C ATOM 906 CG LYS A 65 12.220 0.582 4.722 1.00 0.00 C ATOM 907 CD LYS A 65 11.783 -0.668 5.467 1.00 0.00 C ATOM 908 CE LYS A 65 12.081 -0.562 6.955 1.00 0.00 C ATOM 909 NZ LYS A 65 13.543 -0.596 7.232 1.00 0.00 N ATOM 0 H LYS A 65 9.793 -1.194 3.324 1.00 0.00 H new ATOM 0 HA LYS A 65 10.493 0.821 2.672 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.135 -0.587 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.044 1.125 2.825 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.118 0.988 5.187 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.446 1.345 4.804 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.715 -0.826 5.319 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.294 -1.537 5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.659 0.364 7.345 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.592 -1.381 7.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 13.703 -0.893 8.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 14.003 -1.270 6.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 13.946 0.352 7.087 1.00 0.00 H new ATOM 923 N TYR A 66 10.608 -0.297 0.114 1.00 0.00 N ATOM 924 CA TYR A 66 10.795 -0.270 -1.332 1.00 0.00 C ATOM 925 C TYR A 66 10.045 0.903 -1.956 1.00 0.00 C ATOM 926 O TYR A 66 8.836 1.045 -1.779 1.00 0.00 O ATOM 927 CB TYR A 66 10.317 -1.583 -1.954 1.00 0.00 C ATOM 928 CG TYR A 66 10.421 -1.613 -3.462 1.00 0.00 C ATOM 929 CD1 TYR A 66 11.646 -1.808 -4.089 1.00 0.00 C ATOM 930 CD2 TYR A 66 9.296 -1.446 -4.259 1.00 0.00 C ATOM 931 CE1 TYR A 66 11.746 -1.835 -5.467 1.00 0.00 C ATOM 932 CE2 TYR A 66 9.387 -1.473 -5.637 1.00 0.00 C ATOM 933 CZ TYR A 66 10.614 -1.668 -6.236 1.00 0.00 C ATOM 934 OH TYR A 66 10.709 -1.694 -7.609 1.00 0.00 O ATOM 0 H TYR A 66 9.708 -0.670 0.417 1.00 0.00 H new ATOM 0 HA TYR A 66 11.859 -0.147 -1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 66 10.902 -2.405 -1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.280 -1.755 -1.666 1.00 0.00 H new ATOM 0 HD1 TYR A 66 12.534 -1.941 -3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.334 -1.292 -3.793 1.00 0.00 H new ATOM 0 HE1 TYR A 66 12.706 -1.986 -5.939 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.502 -1.342 -6.242 1.00 0.00 H new ATOM 0 HH TYR A 66 9.821 -1.562 -8.001 1.00 0.00 H new ATOM 944 N GLU A 67 10.773 1.741 -2.688 1.00 0.00 N ATOM 945 CA GLU A 67 10.178 2.902 -3.338 1.00 0.00 C ATOM 946 C GLU A 67 8.978 2.494 -4.189 1.00 0.00 C ATOM 947 O GLU A 67 9.058 1.559 -4.987 1.00 0.00 O ATOM 948 CB GLU A 67 11.215 3.614 -4.209 1.00 0.00 C ATOM 949 CG GLU A 67 10.988 5.112 -4.324 1.00 0.00 C ATOM 950 CD GLU A 67 12.244 5.864 -4.719 1.00 0.00 C ATOM 951 OE1 GLU A 67 13.351 5.352 -4.451 1.00 0.00 O ATOM 952 OE2 GLU A 67 12.120 6.965 -5.295 1.00 0.00 O ATOM 0 H GLU A 67 11.775 1.637 -2.845 1.00 0.00 H new ATOM 0 HA GLU A 67 9.836 3.585 -2.561 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.208 3.436 -3.796 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.202 3.175 -5.207 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.208 5.302 -5.062 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.625 5.495 -3.370 1.00 0.00 H new ATOM 959 N PHE A 68 7.867 3.200 -4.011 1.00 0.00 N ATOM 960 CA PHE A 68 6.650 2.911 -4.760 1.00 0.00 C ATOM 961 C PHE A 68 6.640 3.656 -6.092 1.00 0.00 C ATOM 962 O PHE A 68 7.207 4.743 -6.211 1.00 0.00 O ATOM 963 CB PHE A 68 5.417 3.295 -3.939 1.00 0.00 C ATOM 964 CG PHE A 68 5.262 2.492 -2.679 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.268 1.107 -2.719 1.00 0.00 C ATOM 966 CD2 PHE A 68 5.110 3.123 -1.455 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.127 0.366 -1.561 1.00 0.00 C ATOM 968 CE2 PHE A 68 4.968 2.386 -0.294 1.00 0.00 C ATOM 969 CZ PHE A 68 4.975 1.006 -0.347 1.00 0.00 C ATOM 0 H PHE A 68 7.784 3.976 -3.355 1.00 0.00 H new ATOM 0 HA PHE A 68 6.624 1.840 -4.963 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.477 4.352 -3.681 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.526 3.167 -4.554 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.384 0.601 -3.666 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.102 4.202 -1.407 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.136 -0.713 -1.606 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.852 2.889 0.654 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.862 0.429 0.559 1.00 0.00 H new ATOM 979 N ILE A 69 5.993 3.064 -7.090 1.00 0.00 N ATOM 980 CA ILE A 69 5.910 3.672 -8.412 1.00 0.00 C ATOM 981 C ILE A 69 5.200 5.020 -8.354 1.00 0.00 C ATOM 982 O ILE A 69 4.087 5.125 -7.840 1.00 0.00 O ATOM 983 CB ILE A 69 5.170 2.758 -9.406 1.00 0.00 C ATOM 984 CG1 ILE A 69 5.927 1.440 -9.582 1.00 0.00 C ATOM 985 CG2 ILE A 69 4.998 3.459 -10.745 1.00 0.00 C ATOM 986 CD1 ILE A 69 5.463 0.346 -8.647 1.00 0.00 C ATOM 0 H ILE A 69 5.519 2.165 -7.008 1.00 0.00 H new ATOM 0 HA ILE A 69 6.934 3.818 -8.757 1.00 0.00 H new ATOM 0 HB ILE A 69 4.181 2.537 -9.005 1.00 0.00 H new ATOM 0 HG12 ILE A 69 5.813 1.100 -10.611 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.990 1.617 -9.421 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.473 2.799 -11.436 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.420 4.373 -10.606 1.00 0.00 H new ATOM 0 HG23 ILE A 69 5.977 3.708 -11.154 1.00 0.00 H new ATOM 0 HD11 ILE A 69 6.044 -0.558 -8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 69 5.603 0.666 -7.615 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.407 0.141 -8.823 1.00 0.00 H new