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 -3:sc= -1.22 USER MOD Set 1.2: A 37 CYS SG : rot 92:sc= 0.0744 USER MOD Set 1.3: A 42 HIS : no HE2:sc= -8.8! C(o=-11!,f=-15!) USER MOD Set 1.4: A 61 CYS SG : rot 123:sc= 0.971 USER MOD Set 1.5: A 64 CYS SG : rot -68:sc= -2.21! USER MOD Set 2.1: A 18 CYS SG : rot 133:sc= 1.43 USER MOD Set 2.2: A 21 CYS SG : rot -77:sc= 0.0487 USER MOD Set 2.3: A 45 HIS : no HE2:sc= -5.12! C(o=-4.3!,f=-3.7!) USER MOD Set 2.4: A 48 CYS SG : rot -160:sc= -0.659 USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 23 CYS SG : rot 55:sc= 0.00375 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 45:sc= 0.0616 USER MOD Single : A 36 HIS : no HD1:sc= -0.226 X(o=-0.23,f=-0.012) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= -0.698 K(o=-0.7,f=-3!) USER MOD Single : A 51 GLN : amide:sc= -1.44 K(o=-1.4,f=-7.8!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 70:sc= 0.358 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 56:sc= 0.788 USER MOD Single : A 60 CYS SG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 169:sc= 0.00289 (180deg=-0.0468) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 177 N ASP A 16 -10.172 -8.953 -6.508 1.00 0.00 N ATOM 178 CA ASP A 16 -8.948 -8.159 -6.516 1.00 0.00 C ATOM 179 C ASP A 16 -9.254 -6.692 -6.800 1.00 0.00 C ATOM 180 O ASP A 16 -9.375 -6.286 -7.956 1.00 0.00 O ATOM 181 CB ASP A 16 -7.970 -8.701 -7.559 1.00 0.00 C ATOM 182 CG ASP A 16 -7.985 -10.215 -7.637 1.00 0.00 C ATOM 183 OD1 ASP A 16 -7.403 -10.861 -6.741 1.00 0.00 O ATOM 184 OD2 ASP A 16 -8.581 -10.753 -8.593 1.00 0.00 O ATOM 0 HA ASP A 16 -8.491 -8.231 -5.529 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -8.220 -8.288 -8.536 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -6.962 -8.363 -7.318 1.00 0.00 H new ATOM 189 N ILE A 17 -9.379 -5.903 -5.738 1.00 0.00 N ATOM 190 CA ILE A 17 -9.671 -4.481 -5.874 1.00 0.00 C ATOM 191 C ILE A 17 -8.825 -3.652 -4.913 1.00 0.00 C ATOM 192 O ILE A 17 -8.168 -4.193 -4.022 1.00 0.00 O ATOM 193 CB ILE A 17 -11.160 -4.185 -5.615 1.00 0.00 C ATOM 194 CG1 ILE A 17 -11.562 -4.659 -4.217 1.00 0.00 C ATOM 195 CG2 ILE A 17 -12.024 -4.852 -6.675 1.00 0.00 C ATOM 196 CD1 ILE A 17 -12.664 -3.832 -3.592 1.00 0.00 C ATOM 0 H ILE A 17 -9.283 -6.224 -4.775 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.427 -4.205 -6.900 1.00 0.00 H new ATOM 0 HB ILE A 17 -11.316 -3.108 -5.671 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.886 -5.698 -4.274 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -10.687 -4.633 -3.568 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.074 -4.634 -6.479 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -11.752 -4.470 -7.659 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -11.866 -5.930 -6.648 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.897 -4.225 -2.603 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -12.336 -2.796 -3.503 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -13.554 -3.878 -4.220 1.00 0.00 H new ATOM 208 N CYS A 18 -8.847 -2.337 -5.098 1.00 0.00 N ATOM 209 CA CYS A 18 -8.084 -1.431 -4.248 1.00 0.00 C ATOM 210 C CYS A 18 -8.153 -1.869 -2.787 1.00 0.00 C ATOM 211 O CYS A 18 -9.068 -2.588 -2.387 1.00 0.00 O ATOM 212 CB CYS A 18 -8.609 -0.001 -4.389 1.00 0.00 C ATOM 213 SG CYS A 18 -7.484 1.272 -3.732 1.00 0.00 S ATOM 0 H CYS A 18 -9.386 -1.874 -5.830 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.043 -1.461 -4.570 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.796 0.204 -5.443 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -9.567 0.075 -3.875 1.00 0.00 H new ATOM 0 HG CYS A 18 -7.357 2.230 -4.602 1.00 0.00 H new ATOM 218 N ARG A 19 -7.180 -1.428 -1.997 1.00 0.00 N ATOM 219 CA ARG A 19 -7.129 -1.775 -0.582 1.00 0.00 C ATOM 220 C ARG A 19 -7.335 -0.538 0.288 1.00 0.00 C ATOM 221 O ARG A 19 -7.612 -0.647 1.483 1.00 0.00 O ATOM 222 CB ARG A 19 -5.790 -2.433 -0.243 1.00 0.00 C ATOM 223 CG ARG A 19 -4.644 -1.444 -0.106 1.00 0.00 C ATOM 224 CD ARG A 19 -3.603 -1.933 0.890 1.00 0.00 C ATOM 225 NE ARG A 19 -3.888 -1.474 2.247 1.00 0.00 N ATOM 226 CZ ARG A 19 -3.036 -1.600 3.259 1.00 0.00 C ATOM 227 NH1 ARG A 19 -1.853 -2.166 3.067 1.00 0.00 N ATOM 228 NH2 ARG A 19 -3.368 -1.157 4.465 1.00 0.00 N ATOM 0 H ARG A 19 -6.416 -0.830 -2.313 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.934 -2.481 -0.378 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -5.893 -2.988 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -5.543 -3.157 -1.020 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.176 -1.291 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -5.032 -0.478 0.216 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.570 -3.022 0.875 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.617 -1.580 0.587 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.790 -1.033 2.428 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.595 -2.506 2.141 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.201 -2.261 3.846 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.277 -0.720 4.615 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -2.714 -1.254 5.242 1.00 0.00 H new ATOM 242 N ILE A 20 -7.196 0.636 -0.319 1.00 0.00 N ATOM 243 CA ILE A 20 -7.367 1.892 0.400 1.00 0.00 C ATOM 244 C ILE A 20 -8.791 2.419 0.255 1.00 0.00 C ATOM 245 O ILE A 20 -9.398 2.874 1.225 1.00 0.00 O ATOM 246 CB ILE A 20 -6.382 2.965 -0.099 1.00 0.00 C ATOM 247 CG1 ILE A 20 -4.939 2.496 0.102 1.00 0.00 C ATOM 248 CG2 ILE A 20 -6.622 4.282 0.624 1.00 0.00 C ATOM 249 CD1 ILE A 20 -3.933 3.269 -0.722 1.00 0.00 C ATOM 0 H ILE A 20 -6.965 0.743 -1.307 1.00 0.00 H new ATOM 0 HA ILE A 20 -7.164 1.684 1.451 1.00 0.00 H new ATOM 0 HB ILE A 20 -6.548 3.123 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -4.679 2.587 1.157 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -4.870 1.439 -0.153 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.918 5.030 0.260 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -7.641 4.620 0.435 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.479 4.140 1.695 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -2.932 2.883 -0.530 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -4.168 3.158 -1.781 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -3.974 4.324 -0.450 1.00 0.00 H new ATOM 261 N CYS A 21 -9.320 2.353 -0.962 1.00 0.00 N ATOM 262 CA CYS A 21 -10.673 2.821 -1.236 1.00 0.00 C ATOM 263 C CYS A 21 -11.625 1.646 -1.437 1.00 0.00 C ATOM 264 O CYS A 21 -12.836 1.776 -1.255 1.00 0.00 O ATOM 265 CB CYS A 21 -10.684 3.719 -2.474 1.00 0.00 C ATOM 266 SG CYS A 21 -10.430 2.826 -4.042 1.00 0.00 S ATOM 0 H CYS A 21 -8.831 1.979 -1.775 1.00 0.00 H new ATOM 0 HA CYS A 21 -11.012 3.397 -0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -11.637 4.246 -2.519 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -9.906 4.475 -2.368 1.00 0.00 H new ATOM 0 HG CYS A 21 -9.170 2.534 -4.176 1.00 0.00 H new ATOM 271 N HIS A 22 -11.069 0.499 -1.815 1.00 0.00 N ATOM 272 CA HIS A 22 -11.868 -0.700 -2.040 1.00 0.00 C ATOM 273 C HIS A 22 -12.842 -0.494 -3.197 1.00 0.00 C ATOM 274 O HIS A 22 -14.044 -0.722 -3.056 1.00 0.00 O ATOM 275 CB HIS A 22 -12.636 -1.073 -0.772 1.00 0.00 C ATOM 276 CG HIS A 22 -11.750 -1.461 0.372 1.00 0.00 C ATOM 277 ND1 HIS A 22 -11.866 -0.914 1.632 1.00 0.00 N ATOM 278 CD2 HIS A 22 -10.731 -2.349 0.441 1.00 0.00 C ATOM 279 CE1 HIS A 22 -10.955 -1.448 2.427 1.00 0.00 C ATOM 280 NE2 HIS A 22 -10.254 -2.322 1.728 1.00 0.00 N ATOM 0 H HIS A 22 -10.069 0.375 -1.972 1.00 0.00 H new ATOM 0 HA HIS A 22 -11.191 -1.515 -2.298 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -13.256 -0.229 -0.471 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -13.310 -1.900 -0.995 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -10.362 -2.964 -0.366 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -10.809 -1.210 3.470 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -9.483 -2.886 2.086 1.00 0.00 H new ATOM 288 N CYS A 23 -12.316 -0.061 -4.337 1.00 0.00 N ATOM 289 CA CYS A 23 -13.139 0.178 -5.517 1.00 0.00 C ATOM 290 C CYS A 23 -12.539 -0.499 -6.745 1.00 0.00 C ATOM 291 O CYS A 23 -11.347 -0.801 -6.777 1.00 0.00 O ATOM 292 CB CYS A 23 -13.285 1.679 -5.768 1.00 0.00 C ATOM 293 SG CYS A 23 -14.286 2.540 -4.532 1.00 0.00 S ATOM 0 H CYS A 23 -11.323 0.132 -4.469 1.00 0.00 H new ATOM 0 HA CYS A 23 -14.125 -0.250 -5.334 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -12.293 2.130 -5.795 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -13.731 1.831 -6.751 1.00 0.00 H new ATOM 0 HG CYS A 23 -13.800 2.316 -3.347 1.00 0.00 H new ATOM 299 N GLU A 24 -13.374 -0.736 -7.752 1.00 0.00 N ATOM 300 CA GLU A 24 -12.925 -1.380 -8.980 1.00 0.00 C ATOM 301 C GLU A 24 -11.735 -0.637 -9.580 1.00 0.00 C ATOM 302 O GLU A 24 -11.621 0.581 -9.453 1.00 0.00 O ATOM 303 CB GLU A 24 -14.067 -1.441 -9.997 1.00 0.00 C ATOM 304 CG GLU A 24 -14.893 -2.714 -9.909 1.00 0.00 C ATOM 305 CD GLU A 24 -15.771 -2.925 -11.126 1.00 0.00 C ATOM 306 OE1 GLU A 24 -15.228 -3.271 -12.196 1.00 0.00 O ATOM 307 OE2 GLU A 24 -17.001 -2.743 -11.010 1.00 0.00 O ATOM 0 H GLU A 24 -14.364 -0.492 -7.741 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.612 -2.395 -8.734 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.721 -0.582 -9.848 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -13.653 -1.355 -11.002 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.226 -3.568 -9.795 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -15.518 -2.676 -9.017 1.00 0.00 H new ATOM 314 N GLY A 25 -10.849 -1.381 -10.235 1.00 0.00 N ATOM 315 CA GLY A 25 -9.678 -0.777 -10.844 1.00 0.00 C ATOM 316 C GLY A 25 -10.030 0.107 -12.024 1.00 0.00 C ATOM 317 O GLY A 25 -10.782 -0.298 -12.910 1.00 0.00 O ATOM 0 H GLY A 25 -10.921 -2.391 -10.355 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.147 -0.187 -10.097 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -8.997 -1.562 -11.172 1.00 0.00 H new ATOM 321 N ASP A 26 -9.487 1.319 -12.035 1.00 0.00 N ATOM 322 CA ASP A 26 -9.748 2.265 -13.114 1.00 0.00 C ATOM 323 C ASP A 26 -8.665 2.180 -14.185 1.00 0.00 C ATOM 324 O ASP A 26 -7.605 1.594 -13.964 1.00 0.00 O ATOM 325 CB ASP A 26 -9.829 3.690 -12.564 1.00 0.00 C ATOM 326 CG ASP A 26 -11.037 3.898 -11.672 1.00 0.00 C ATOM 327 OD1 ASP A 26 -10.977 3.498 -10.491 1.00 0.00 O ATOM 328 OD2 ASP A 26 -12.043 4.460 -12.155 1.00 0.00 O ATOM 0 H ASP A 26 -8.863 1.670 -11.309 1.00 0.00 H new ATOM 0 HA ASP A 26 -10.704 2.005 -13.568 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.922 3.911 -12.001 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.868 4.395 -13.394 1.00 0.00 H new ATOM 333 N ASP A 27 -8.938 2.769 -15.344 1.00 0.00 N ATOM 334 CA ASP A 27 -7.987 2.760 -16.449 1.00 0.00 C ATOM 335 C ASP A 27 -6.708 3.502 -16.071 1.00 0.00 C ATOM 336 O ASP A 27 -5.605 3.047 -16.371 1.00 0.00 O ATOM 337 CB ASP A 27 -8.611 3.395 -17.692 1.00 0.00 C ATOM 338 CG ASP A 27 -9.684 2.521 -18.312 1.00 0.00 C ATOM 339 OD1 ASP A 27 -9.345 1.423 -18.802 1.00 0.00 O ATOM 340 OD2 ASP A 27 -10.862 2.935 -18.307 1.00 0.00 O ATOM 0 H ASP A 27 -9.810 3.259 -15.543 1.00 0.00 H new ATOM 0 HA ASP A 27 -7.733 1.723 -16.669 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -9.042 4.360 -17.426 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.831 3.586 -18.429 1.00 0.00 H new ATOM 345 N GLU A 28 -6.866 4.646 -15.413 1.00 0.00 N ATOM 346 CA GLU A 28 -5.724 5.451 -14.996 1.00 0.00 C ATOM 347 C GLU A 28 -5.290 5.088 -13.579 1.00 0.00 C ATOM 348 O GLU A 28 -4.131 5.269 -13.208 1.00 0.00 O ATOM 349 CB GLU A 28 -6.067 6.940 -15.070 1.00 0.00 C ATOM 350 CG GLU A 28 -5.923 7.530 -16.463 1.00 0.00 C ATOM 351 CD GLU A 28 -6.616 8.871 -16.603 1.00 0.00 C ATOM 352 OE1 GLU A 28 -6.200 9.829 -15.919 1.00 0.00 O ATOM 353 OE2 GLU A 28 -7.575 8.963 -17.398 1.00 0.00 O ATOM 0 H GLU A 28 -7.773 5.036 -15.157 1.00 0.00 H new ATOM 0 HA GLU A 28 -4.898 5.241 -15.675 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.091 7.086 -14.727 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.421 7.488 -14.384 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.865 7.646 -16.697 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.336 6.834 -17.193 1.00 0.00 H new ATOM 360 N SER A 29 -6.230 4.574 -12.792 1.00 0.00 N ATOM 361 CA SER A 29 -5.947 4.188 -11.415 1.00 0.00 C ATOM 362 C SER A 29 -6.208 2.700 -11.202 1.00 0.00 C ATOM 363 O SER A 29 -6.927 2.295 -10.288 1.00 0.00 O ATOM 364 CB SER A 29 -6.800 5.011 -10.447 1.00 0.00 C ATOM 365 OG SER A 29 -6.214 6.278 -10.202 1.00 0.00 O ATOM 0 H SER A 29 -7.194 4.415 -13.085 1.00 0.00 H new ATOM 0 HA SER A 29 -4.893 4.385 -11.218 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.800 5.143 -10.860 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.913 4.471 -9.507 1.00 0.00 H new ATOM 0 HG SER A 29 -6.779 6.785 -9.582 1.00 0.00 H new ATOM 371 N PRO A 30 -5.610 1.866 -12.066 1.00 0.00 N ATOM 372 CA PRO A 30 -5.763 0.410 -11.994 1.00 0.00 C ATOM 373 C PRO A 30 -5.060 -0.187 -10.779 1.00 0.00 C ATOM 374 O PRO A 30 -4.411 0.526 -10.012 1.00 0.00 O ATOM 375 CB PRO A 30 -5.105 -0.080 -13.286 1.00 0.00 C ATOM 376 CG PRO A 30 -4.128 0.987 -13.642 1.00 0.00 C ATOM 377 CD PRO A 30 -4.740 2.280 -13.179 1.00 0.00 C ATOM 0 HA PRO A 30 -6.807 0.114 -11.892 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.608 -1.039 -13.138 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.842 -0.222 -14.077 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -3.167 0.814 -13.157 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -3.944 1.005 -14.716 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -3.980 2.990 -12.852 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -5.307 2.764 -13.974 1.00 0.00 H new ATOM 385 N LEU A 31 -5.192 -1.498 -10.610 1.00 0.00 N ATOM 386 CA LEU A 31 -4.569 -2.191 -9.488 1.00 0.00 C ATOM 387 C LEU A 31 -3.163 -2.659 -9.850 1.00 0.00 C ATOM 388 O LEU A 31 -2.991 -3.594 -10.632 1.00 0.00 O ATOM 389 CB LEU A 31 -5.423 -3.388 -9.064 1.00 0.00 C ATOM 390 CG LEU A 31 -6.898 -3.094 -8.785 1.00 0.00 C ATOM 391 CD1 LEU A 31 -7.688 -4.389 -8.675 1.00 0.00 C ATOM 392 CD2 LEU A 31 -7.046 -2.267 -7.517 1.00 0.00 C ATOM 0 H LEU A 31 -5.725 -2.102 -11.236 1.00 0.00 H new ATOM 0 HA LEU A 31 -4.497 -1.491 -8.656 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.366 -4.145 -9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.984 -3.823 -8.166 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.299 -2.518 -9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -8.735 -4.161 -8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.609 -4.944 -9.610 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.287 -4.992 -7.860 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.102 -2.067 -7.334 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.629 -2.817 -6.673 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.513 -1.323 -7.634 1.00 0.00 H new ATOM 404 N ILE A 32 -2.161 -2.003 -9.275 1.00 0.00 N ATOM 405 CA ILE A 32 -0.770 -2.353 -9.535 1.00 0.00 C ATOM 406 C ILE A 32 -0.039 -2.697 -8.241 1.00 0.00 C ATOM 407 O ILE A 32 -0.546 -2.457 -7.145 1.00 0.00 O ATOM 408 CB ILE A 32 -0.024 -1.208 -10.244 1.00 0.00 C ATOM 409 CG1 ILE A 32 -0.264 0.115 -9.515 1.00 0.00 C ATOM 410 CG2 ILE A 32 -0.466 -1.107 -11.696 1.00 0.00 C ATOM 411 CD1 ILE A 32 0.736 1.192 -9.873 1.00 0.00 C ATOM 0 H ILE A 32 -2.286 -1.226 -8.626 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.781 -3.226 -10.187 1.00 0.00 H new ATOM 0 HB ILE A 32 1.044 -1.423 -10.224 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.268 0.471 -9.746 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -0.228 -0.060 -8.440 1.00 0.00 H new ATOM 0 HG21 ILE A 32 0.070 -0.293 -12.184 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -0.248 -2.044 -12.209 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.538 -0.912 -11.737 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.505 2.102 -9.319 1.00 0.00 H new ATOM 0 HD12 ILE A 32 1.740 0.856 -9.616 1.00 0.00 H new ATOM 0 HD13 ILE A 32 0.684 1.395 -10.943 1.00 0.00 H new ATOM 423 N THR A 33 1.158 -3.259 -8.376 1.00 0.00 N ATOM 424 CA THR A 33 1.961 -3.636 -7.219 1.00 0.00 C ATOM 425 C THR A 33 2.981 -2.554 -6.882 1.00 0.00 C ATOM 426 O THR A 33 3.910 -2.284 -7.645 1.00 0.00 O ATOM 427 CB THR A 33 2.699 -4.966 -7.456 1.00 0.00 C ATOM 428 OG1 THR A 33 3.248 -4.993 -8.779 1.00 0.00 O ATOM 429 CG2 THR A 33 1.759 -6.148 -7.267 1.00 0.00 C ATOM 0 H THR A 33 1.593 -3.463 -9.276 1.00 0.00 H new ATOM 0 HA THR A 33 1.273 -3.756 -6.382 1.00 0.00 H new ATOM 0 HB THR A 33 3.506 -5.043 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 33 3.687 -4.138 -8.969 1.00 0.00 H new ATOM 0 HG21 THR A 33 2.303 -7.077 -7.440 1.00 0.00 H new ATOM 0 HG22 THR A 33 1.366 -6.141 -6.250 1.00 0.00 H new ATOM 0 HG23 THR A 33 0.934 -6.074 -7.975 1.00 0.00 H new ATOM 437 N PRO A 34 2.808 -1.920 -5.713 1.00 0.00 N ATOM 438 CA PRO A 34 3.706 -0.858 -5.249 1.00 0.00 C ATOM 439 C PRO A 34 5.084 -1.389 -4.869 1.00 0.00 C ATOM 440 O PRO A 34 6.095 -0.712 -5.056 1.00 0.00 O ATOM 441 CB PRO A 34 2.989 -0.301 -4.016 1.00 0.00 C ATOM 442 CG PRO A 34 2.143 -1.427 -3.529 1.00 0.00 C ATOM 443 CD PRO A 34 1.723 -2.190 -4.755 1.00 0.00 C ATOM 0 HA PRO A 34 3.892 -0.114 -6.024 1.00 0.00 H new ATOM 0 HB2 PRO A 34 3.701 0.018 -3.254 1.00 0.00 H new ATOM 0 HB3 PRO A 34 2.383 0.569 -4.270 1.00 0.00 H new ATOM 0 HG2 PRO A 34 2.700 -2.066 -2.844 1.00 0.00 H new ATOM 0 HG3 PRO A 34 1.275 -1.056 -2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 34 1.624 -3.256 -4.550 1.00 0.00 H new ATOM 0 HD3 PRO A 34 0.760 -1.846 -5.132 1.00 0.00 H new ATOM 451 N CYS A 35 5.117 -2.605 -4.334 1.00 0.00 N ATOM 452 CA CYS A 35 6.371 -3.228 -3.927 1.00 0.00 C ATOM 453 C CYS A 35 6.285 -4.747 -4.039 1.00 0.00 C ATOM 454 O CYS A 35 5.288 -5.290 -4.515 1.00 0.00 O ATOM 455 CB CYS A 35 6.720 -2.830 -2.492 1.00 0.00 C ATOM 456 SG CYS A 35 5.427 -3.232 -1.273 1.00 0.00 S ATOM 0 H CYS A 35 4.289 -3.179 -4.172 1.00 0.00 H new ATOM 0 HA CYS A 35 7.157 -2.876 -4.596 1.00 0.00 H new ATOM 0 HB2 CYS A 35 7.645 -3.329 -2.203 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.913 -1.758 -2.461 1.00 0.00 H new ATOM 0 HG CYS A 35 4.399 -3.744 -1.883 1.00 0.00 H new ATOM 461 N HIS A 36 7.337 -5.428 -3.596 1.00 0.00 N ATOM 462 CA HIS A 36 7.381 -6.885 -3.645 1.00 0.00 C ATOM 463 C HIS A 36 6.735 -7.490 -2.402 1.00 0.00 C ATOM 464 O HIS A 36 7.263 -8.432 -1.811 1.00 0.00 O ATOM 465 CB HIS A 36 8.826 -7.369 -3.769 1.00 0.00 C ATOM 466 CG HIS A 36 9.479 -6.979 -5.059 1.00 0.00 C ATOM 467 ND1 HIS A 36 10.039 -7.893 -5.926 1.00 0.00 N ATOM 468 CD2 HIS A 36 9.658 -5.764 -5.629 1.00 0.00 C ATOM 469 CE1 HIS A 36 10.536 -7.257 -6.972 1.00 0.00 C ATOM 470 NE2 HIS A 36 10.317 -5.964 -6.816 1.00 0.00 N ATOM 0 H HIS A 36 8.170 -4.994 -3.199 1.00 0.00 H new ATOM 0 HA HIS A 36 6.820 -7.211 -4.521 1.00 0.00 H new ATOM 0 HB2 HIS A 36 9.408 -6.966 -2.940 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.846 -8.455 -3.675 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.341 -4.814 -5.225 1.00 0.00 H new ATOM 0 HE1 HIS A 36 11.036 -7.716 -7.812 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.593 -5.233 -7.471 1.00 0.00 H new ATOM 478 N CYS A 37 5.589 -6.943 -2.010 1.00 0.00 N ATOM 479 CA CYS A 37 4.871 -7.426 -0.838 1.00 0.00 C ATOM 480 C CYS A 37 3.483 -7.932 -1.220 1.00 0.00 C ATOM 481 O CYS A 37 2.481 -7.246 -1.014 1.00 0.00 O ATOM 482 CB CYS A 37 4.751 -6.315 0.207 1.00 0.00 C ATOM 483 SG CYS A 37 6.291 -5.988 1.124 1.00 0.00 S ATOM 0 H CYS A 37 5.138 -6.163 -2.488 1.00 0.00 H new ATOM 0 HA CYS A 37 5.437 -8.255 -0.413 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.434 -5.397 -0.288 1.00 0.00 H new ATOM 0 HB3 CYS A 37 3.968 -6.581 0.917 1.00 0.00 H new ATOM 0 HG CYS A 37 6.960 -5.047 0.526 1.00 0.00 H new ATOM 520 N LEU A 41 -4.547 -7.890 -0.033 1.00 0.00 N ATOM 521 CA LEU A 41 -5.018 -6.706 -0.743 1.00 0.00 C ATOM 522 C LEU A 41 -3.858 -5.773 -1.077 1.00 0.00 C ATOM 523 O LEU A 41 -3.947 -4.560 -0.885 1.00 0.00 O ATOM 524 CB LEU A 41 -6.058 -5.963 0.098 1.00 0.00 C ATOM 525 CG LEU A 41 -7.283 -6.774 0.519 1.00 0.00 C ATOM 526 CD1 LEU A 41 -7.907 -7.464 -0.684 1.00 0.00 C ATOM 527 CD2 LEU A 41 -6.907 -7.793 1.585 1.00 0.00 C ATOM 0 HA LEU A 41 -5.478 -7.032 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -5.569 -5.588 0.997 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.398 -5.094 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.019 -6.090 0.941 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.778 -8.036 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -8.213 -6.715 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.178 -8.136 -1.137 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -7.791 -8.361 1.873 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.152 -8.472 1.189 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.508 -7.276 2.458 1.00 0.00 H new ATOM 539 N HIS A 42 -2.769 -6.348 -1.579 1.00 0.00 N ATOM 540 CA HIS A 42 -1.592 -5.568 -1.943 1.00 0.00 C ATOM 541 C HIS A 42 -1.741 -4.979 -3.342 1.00 0.00 C ATOM 542 O HIS A 42 -0.792 -4.965 -4.126 1.00 0.00 O ATOM 543 CB HIS A 42 -0.336 -6.439 -1.875 1.00 0.00 C ATOM 544 CG HIS A 42 0.883 -5.776 -2.437 1.00 0.00 C ATOM 545 ND1 HIS A 42 1.431 -6.116 -3.656 1.00 0.00 N ATOM 546 CD2 HIS A 42 1.662 -4.786 -1.940 1.00 0.00 C ATOM 547 CE1 HIS A 42 2.494 -5.365 -3.884 1.00 0.00 C ATOM 548 NE2 HIS A 42 2.655 -4.549 -2.858 1.00 0.00 N ATOM 0 H HIS A 42 -2.678 -7.351 -1.743 1.00 0.00 H new ATOM 0 HA HIS A 42 -1.496 -4.748 -1.231 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -0.147 -6.709 -0.836 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -0.517 -7.367 -2.417 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.072 -6.835 -4.284 1.00 0.00 H new ATOM 0 HD2 HIS A 42 1.527 -4.277 -0.997 1.00 0.00 H new ATOM 0 HE1 HIS A 42 3.124 -5.411 -4.760 1.00 0.00 H new ATOM 556 N PHE A 43 -2.940 -4.493 -3.650 1.00 0.00 N ATOM 557 CA PHE A 43 -3.214 -3.904 -4.955 1.00 0.00 C ATOM 558 C PHE A 43 -3.891 -2.545 -4.807 1.00 0.00 C ATOM 559 O PHE A 43 -5.117 -2.444 -4.823 1.00 0.00 O ATOM 560 CB PHE A 43 -4.098 -4.839 -5.784 1.00 0.00 C ATOM 561 CG PHE A 43 -3.919 -6.291 -5.444 1.00 0.00 C ATOM 562 CD1 PHE A 43 -2.654 -6.853 -5.391 1.00 0.00 C ATOM 563 CD2 PHE A 43 -5.017 -7.093 -5.177 1.00 0.00 C ATOM 564 CE1 PHE A 43 -2.487 -8.189 -5.080 1.00 0.00 C ATOM 565 CE2 PHE A 43 -4.856 -8.430 -4.864 1.00 0.00 C ATOM 566 CZ PHE A 43 -3.590 -8.978 -4.815 1.00 0.00 C ATOM 0 H PHE A 43 -3.737 -4.496 -3.013 1.00 0.00 H new ATOM 0 HA PHE A 43 -2.263 -3.763 -5.469 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.143 -4.565 -5.635 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.878 -4.692 -6.841 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -1.788 -6.240 -5.595 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -6.010 -6.669 -5.214 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -1.496 -8.616 -5.044 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -5.720 -9.045 -4.658 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.462 -10.022 -4.570 1.00 0.00 H new ATOM 576 N VAL A 44 -3.081 -1.500 -4.661 1.00 0.00 N ATOM 577 CA VAL A 44 -3.600 -0.146 -4.510 1.00 0.00 C ATOM 578 C VAL A 44 -3.636 0.581 -5.850 1.00 0.00 C ATOM 579 O VAL A 44 -2.962 0.185 -6.801 1.00 0.00 O ATOM 580 CB VAL A 44 -2.753 0.672 -3.517 1.00 0.00 C ATOM 581 CG1 VAL A 44 -2.329 -0.192 -2.339 1.00 0.00 C ATOM 582 CG2 VAL A 44 -1.540 1.268 -4.216 1.00 0.00 C ATOM 0 H VAL A 44 -2.063 -1.566 -4.644 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.614 -0.237 -4.122 1.00 0.00 H new ATOM 0 HB VAL A 44 -3.362 1.491 -3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.732 0.403 -1.648 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.214 -0.565 -1.824 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -1.737 -1.033 -2.699 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -0.953 1.843 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -0.927 0.466 -4.627 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.870 1.923 -5.023 1.00 0.00 H new ATOM 592 N HIS A 45 -4.426 1.648 -5.917 1.00 0.00 N ATOM 593 CA HIS A 45 -4.549 2.432 -7.140 1.00 0.00 C ATOM 594 C HIS A 45 -3.370 3.389 -7.293 1.00 0.00 C ATOM 595 O HIS A 45 -2.972 4.055 -6.338 1.00 0.00 O ATOM 596 CB HIS A 45 -5.861 3.217 -7.138 1.00 0.00 C ATOM 597 CG HIS A 45 -7.067 2.369 -7.403 1.00 0.00 C ATOM 598 ND1 HIS A 45 -8.351 2.772 -7.102 1.00 0.00 N ATOM 599 CD2 HIS A 45 -7.179 1.134 -7.945 1.00 0.00 C ATOM 600 CE1 HIS A 45 -9.200 1.821 -7.446 1.00 0.00 C ATOM 601 NE2 HIS A 45 -8.515 0.816 -7.961 1.00 0.00 N ATOM 0 H HIS A 45 -4.990 1.989 -5.139 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.548 1.744 -7.985 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -5.979 3.710 -6.173 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -5.806 4.002 -7.892 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.605 3.665 -6.680 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -6.369 0.514 -8.299 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -10.273 1.859 -7.327 1.00 0.00 H new ATOM 609 N GLN A 46 -2.817 3.450 -8.500 1.00 0.00 N ATOM 610 CA GLN A 46 -1.683 4.324 -8.776 1.00 0.00 C ATOM 611 C GLN A 46 -1.864 5.680 -8.102 1.00 0.00 C ATOM 612 O GLN A 46 -0.919 6.238 -7.545 1.00 0.00 O ATOM 613 CB GLN A 46 -1.511 4.510 -10.285 1.00 0.00 C ATOM 614 CG GLN A 46 -0.447 5.530 -10.655 1.00 0.00 C ATOM 615 CD GLN A 46 0.960 5.017 -10.420 1.00 0.00 C ATOM 616 OE1 GLN A 46 1.452 4.161 -11.156 1.00 0.00 O ATOM 617 NE2 GLN A 46 1.617 5.539 -9.390 1.00 0.00 N ATOM 0 H GLN A 46 -3.135 2.905 -9.301 1.00 0.00 H new ATOM 0 HA GLN A 46 -0.787 3.854 -8.370 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -1.254 3.550 -10.734 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -2.464 4.819 -10.715 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -0.560 5.803 -11.704 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -0.601 6.438 -10.072 1.00 0.00 H new ATOM 0 HE21 GLN A 46 1.171 6.246 -8.806 1.00 0.00 H new ATOM 0 HE22 GLN A 46 2.568 5.233 -9.183 1.00 0.00 H new ATOM 626 N ALA A 47 -3.083 6.205 -8.157 1.00 0.00 N ATOM 627 CA ALA A 47 -3.388 7.495 -7.550 1.00 0.00 C ATOM 628 C ALA A 47 -3.501 7.375 -6.034 1.00 0.00 C ATOM 629 O ALA A 47 -2.742 8.000 -5.294 1.00 0.00 O ATOM 630 CB ALA A 47 -4.673 8.062 -8.134 1.00 0.00 C ATOM 0 H ALA A 47 -3.876 5.757 -8.616 1.00 0.00 H new ATOM 0 HA ALA A 47 -2.568 8.177 -7.774 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.889 9.025 -7.672 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -4.557 8.194 -9.210 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.496 7.374 -7.940 1.00 0.00 H new ATOM 636 N CYS A 48 -4.454 6.569 -5.579 1.00 0.00 N ATOM 637 CA CYS A 48 -4.668 6.368 -4.151 1.00 0.00 C ATOM 638 C CYS A 48 -3.338 6.306 -3.405 1.00 0.00 C ATOM 639 O CYS A 48 -3.189 6.886 -2.328 1.00 0.00 O ATOM 640 CB CYS A 48 -5.461 5.082 -3.909 1.00 0.00 C ATOM 641 SG CYS A 48 -7.235 5.218 -4.302 1.00 0.00 S ATOM 0 H CYS A 48 -5.091 6.044 -6.179 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.238 7.216 -3.772 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.027 4.282 -4.509 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.352 4.792 -2.864 1.00 0.00 H new ATOM 0 HG CYS A 48 -7.888 4.273 -3.694 1.00 0.00 H new ATOM 646 N LEU A 49 -2.374 5.599 -3.984 1.00 0.00 N ATOM 647 CA LEU A 49 -1.055 5.461 -3.376 1.00 0.00 C ATOM 648 C LEU A 49 -0.479 6.825 -3.009 1.00 0.00 C ATOM 649 O LEU A 49 0.009 7.024 -1.897 1.00 0.00 O ATOM 650 CB LEU A 49 -0.106 4.733 -4.329 1.00 0.00 C ATOM 651 CG LEU A 49 1.346 4.608 -3.865 1.00 0.00 C ATOM 652 CD1 LEU A 49 1.433 3.758 -2.606 1.00 0.00 C ATOM 653 CD2 LEU A 49 2.211 4.019 -4.969 1.00 0.00 C ATOM 0 H LEU A 49 -2.481 5.112 -4.874 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.162 4.875 -2.463 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -0.498 3.731 -4.505 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -0.117 5.252 -5.287 1.00 0.00 H new ATOM 0 HG LEU A 49 1.719 5.605 -3.632 1.00 0.00 H new ATOM 0 HD11 LEU A 49 2.474 3.680 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.847 4.222 -1.813 1.00 0.00 H new ATOM 0 HD13 LEU A 49 1.041 2.762 -2.812 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.241 3.938 -4.620 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.839 3.030 -5.234 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.175 4.667 -5.845 1.00 0.00 H new ATOM 665 N GLN A 50 -0.541 7.760 -3.952 1.00 0.00 N ATOM 666 CA GLN A 50 -0.026 9.106 -3.727 1.00 0.00 C ATOM 667 C GLN A 50 -0.617 9.710 -2.457 1.00 0.00 C ATOM 668 O GLN A 50 0.079 10.379 -1.695 1.00 0.00 O ATOM 669 CB GLN A 50 -0.340 10.002 -4.926 1.00 0.00 C ATOM 670 CG GLN A 50 0.177 9.454 -6.247 1.00 0.00 C ATOM 671 CD GLN A 50 -0.613 9.960 -7.437 1.00 0.00 C ATOM 672 OE1 GLN A 50 -1.743 10.429 -7.294 1.00 0.00 O ATOM 673 NE2 GLN A 50 -0.022 9.868 -8.623 1.00 0.00 N ATOM 0 H GLN A 50 -0.942 7.611 -4.878 1.00 0.00 H new ATOM 0 HA GLN A 50 1.055 9.039 -3.606 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.419 10.137 -4.996 1.00 0.00 H new ATOM 0 HB3 GLN A 50 0.094 10.987 -4.756 1.00 0.00 H new ATOM 0 HG2 GLN A 50 1.224 9.732 -6.366 1.00 0.00 H new ATOM 0 HG3 GLN A 50 0.136 8.365 -6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 50 0.915 9.473 -8.696 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -0.506 10.193 -9.460 1.00 0.00 H new ATOM 682 N GLN A 51 -1.906 9.468 -2.238 1.00 0.00 N ATOM 683 CA GLN A 51 -2.591 9.990 -1.061 1.00 0.00 C ATOM 684 C GLN A 51 -2.011 9.391 0.216 1.00 0.00 C ATOM 685 O GLN A 51 -1.701 10.111 1.165 1.00 0.00 O ATOM 686 CB GLN A 51 -4.089 9.693 -1.143 1.00 0.00 C ATOM 687 CG GLN A 51 -4.798 9.762 0.200 1.00 0.00 C ATOM 688 CD GLN A 51 -4.688 11.128 0.848 1.00 0.00 C ATOM 689 OE1 GLN A 51 -3.784 11.905 0.537 1.00 0.00 O ATOM 690 NE2 GLN A 51 -5.610 11.430 1.755 1.00 0.00 N ATOM 0 H GLN A 51 -2.496 8.915 -2.859 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.443 11.070 -1.034 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.555 10.403 -1.827 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -4.231 8.700 -1.569 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -5.850 9.512 0.064 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.376 9.012 0.869 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -6.341 10.756 1.982 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.587 12.335 2.224 1.00 0.00 H new ATOM 699 N TRP A 52 -1.868 8.071 0.232 1.00 0.00 N ATOM 700 CA TRP A 52 -1.325 7.375 1.394 1.00 0.00 C ATOM 701 C TRP A 52 0.123 7.782 1.645 1.00 0.00 C ATOM 702 O TRP A 52 0.538 7.956 2.791 1.00 0.00 O ATOM 703 CB TRP A 52 -1.415 5.861 1.195 1.00 0.00 C ATOM 704 CG TRP A 52 -0.674 5.080 2.238 1.00 0.00 C ATOM 705 CD1 TRP A 52 -1.203 4.491 3.351 1.00 0.00 C ATOM 706 CD2 TRP A 52 0.731 4.806 2.266 1.00 0.00 C ATOM 707 NE1 TRP A 52 -0.212 3.867 4.069 1.00 0.00 N ATOM 708 CE2 TRP A 52 0.984 4.045 3.424 1.00 0.00 C ATOM 709 CE3 TRP A 52 1.799 5.127 1.425 1.00 0.00 C ATOM 710 CZ2 TRP A 52 2.261 3.603 3.760 1.00 0.00 C ATOM 711 CZ3 TRP A 52 3.066 4.688 1.760 1.00 0.00 C ATOM 712 CH2 TRP A 52 3.288 3.932 2.918 1.00 0.00 C ATOM 0 H TRP A 52 -2.120 7.461 -0.546 1.00 0.00 H new ATOM 0 HA TRP A 52 -1.918 7.656 2.265 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -2.463 5.562 1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -1.019 5.607 0.212 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -2.247 4.513 3.626 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -0.345 3.354 4.941 1.00 0.00 H new ATOM 0 HE3 TRP A 52 1.638 5.708 0.529 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 2.435 3.021 4.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 3.899 4.932 1.118 1.00 0.00 H new ATOM 0 HH2 TRP A 52 4.290 3.602 3.151 1.00 0.00 H new ATOM 723 N ILE A 53 0.886 7.933 0.568 1.00 0.00 N ATOM 724 CA ILE A 53 2.287 8.322 0.673 1.00 0.00 C ATOM 725 C ILE A 53 2.444 9.594 1.498 1.00 0.00 C ATOM 726 O ILE A 53 3.333 9.694 2.344 1.00 0.00 O ATOM 727 CB ILE A 53 2.916 8.542 -0.715 1.00 0.00 C ATOM 728 CG1 ILE A 53 3.353 7.206 -1.319 1.00 0.00 C ATOM 729 CG2 ILE A 53 4.096 9.496 -0.616 1.00 0.00 C ATOM 730 CD1 ILE A 53 3.919 7.331 -2.717 1.00 0.00 C ATOM 0 H ILE A 53 0.558 7.792 -0.387 1.00 0.00 H new ATOM 0 HA ILE A 53 2.805 7.503 1.171 1.00 0.00 H new ATOM 0 HB ILE A 53 2.168 8.988 -1.370 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.103 6.752 -0.671 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.499 6.530 -1.341 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.530 9.642 -1.605 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.757 10.455 -0.224 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.848 9.076 0.052 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.208 6.345 -3.082 1.00 0.00 H new ATOM 0 HD12 ILE A 53 3.164 7.756 -3.378 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.793 7.982 -2.699 1.00 0.00 H new ATOM 742 N LYS A 54 1.573 10.566 1.248 1.00 0.00 N ATOM 743 CA LYS A 54 1.611 11.833 1.969 1.00 0.00 C ATOM 744 C LYS A 54 1.000 11.687 3.359 1.00 0.00 C ATOM 745 O LYS A 54 1.458 12.309 4.317 1.00 0.00 O ATOM 746 CB LYS A 54 0.865 12.913 1.183 1.00 0.00 C ATOM 747 CG LYS A 54 1.361 13.080 -0.243 1.00 0.00 C ATOM 748 CD LYS A 54 0.857 14.374 -0.861 1.00 0.00 C ATOM 749 CE LYS A 54 1.782 14.860 -1.966 1.00 0.00 C ATOM 750 NZ LYS A 54 2.881 15.713 -1.434 1.00 0.00 N ATOM 0 H LYS A 54 0.831 10.500 0.551 1.00 0.00 H new ATOM 0 HA LYS A 54 2.654 12.128 2.080 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.197 12.668 1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.963 13.864 1.706 1.00 0.00 H new ATOM 0 HG2 LYS A 54 2.451 13.071 -0.253 1.00 0.00 H new ATOM 0 HG3 LYS A 54 1.030 12.235 -0.846 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -0.144 14.220 -1.264 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.776 15.140 -0.090 1.00 0.00 H new ATOM 0 HE2 LYS A 54 2.208 14.002 -2.487 1.00 0.00 H new ATOM 0 HE3 LYS A 54 1.206 15.425 -2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.489 16.024 -2.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 2.476 16.545 -0.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 3.446 15.166 -0.753 1.00 0.00 H new ATOM 764 N SER A 55 -0.036 10.860 3.461 1.00 0.00 N ATOM 765 CA SER A 55 -0.711 10.634 4.734 1.00 0.00 C ATOM 766 C SER A 55 0.301 10.433 5.857 1.00 0.00 C ATOM 767 O SER A 55 0.339 11.201 6.818 1.00 0.00 O ATOM 768 CB SER A 55 -1.632 9.416 4.637 1.00 0.00 C ATOM 769 OG SER A 55 -2.828 9.735 3.948 1.00 0.00 O ATOM 0 H SER A 55 -0.426 10.336 2.678 1.00 0.00 H new ATOM 0 HA SER A 55 -1.310 11.516 4.962 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.116 8.606 4.121 1.00 0.00 H new ATOM 0 HB3 SER A 55 -1.870 9.056 5.638 1.00 0.00 H new ATOM 0 HG SER A 55 -2.631 9.877 2.999 1.00 0.00 H new ATOM 775 N SER A 56 1.120 9.393 5.729 1.00 0.00 N ATOM 776 CA SER A 56 2.130 9.088 6.735 1.00 0.00 C ATOM 777 C SER A 56 3.518 9.497 6.252 1.00 0.00 C ATOM 778 O SER A 56 4.525 8.920 6.662 1.00 0.00 O ATOM 779 CB SER A 56 2.113 7.594 7.068 1.00 0.00 C ATOM 780 OG SER A 56 2.514 7.366 8.408 1.00 0.00 O ATOM 0 H SER A 56 1.103 8.748 4.939 1.00 0.00 H new ATOM 0 HA SER A 56 1.895 9.657 7.635 1.00 0.00 H new ATOM 0 HB2 SER A 56 1.111 7.195 6.912 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.778 7.059 6.390 1.00 0.00 H new ATOM 0 HG SER A 56 2.493 6.405 8.597 1.00 0.00 H new ATOM 786 N ASP A 57 3.563 10.497 5.379 1.00 0.00 N ATOM 787 CA ASP A 57 4.827 10.985 4.840 1.00 0.00 C ATOM 788 C ASP A 57 5.789 9.831 4.579 1.00 0.00 C ATOM 789 O ASP A 57 6.966 9.895 4.938 1.00 0.00 O ATOM 790 CB ASP A 57 5.463 11.988 5.804 1.00 0.00 C ATOM 791 CG ASP A 57 5.706 11.396 7.178 1.00 0.00 C ATOM 792 OD1 ASP A 57 6.607 10.540 7.304 1.00 0.00 O ATOM 793 OD2 ASP A 57 4.997 11.790 8.127 1.00 0.00 O ATOM 0 H ASP A 57 2.739 10.986 5.029 1.00 0.00 H new ATOM 0 HA ASP A 57 4.621 11.483 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 57 6.409 12.336 5.389 1.00 0.00 H new ATOM 0 HB3 ASP A 57 4.815 12.860 5.897 1.00 0.00 H new ATOM 798 N THR A 58 5.281 8.774 3.953 1.00 0.00 N ATOM 799 CA THR A 58 6.095 7.604 3.647 1.00 0.00 C ATOM 800 C THR A 58 6.099 7.314 2.150 1.00 0.00 C ATOM 801 O THR A 58 5.051 7.072 1.552 1.00 0.00 O ATOM 802 CB THR A 58 5.590 6.357 4.397 1.00 0.00 C ATOM 803 OG1 THR A 58 5.840 6.495 5.800 1.00 0.00 O ATOM 804 CG2 THR A 58 6.272 5.100 3.878 1.00 0.00 C ATOM 0 H THR A 58 4.310 8.704 3.648 1.00 0.00 H new ATOM 0 HA THR A 58 7.110 7.830 3.974 1.00 0.00 H new ATOM 0 HB THR A 58 4.517 6.267 4.226 1.00 0.00 H new ATOM 0 HG1 THR A 58 5.423 7.319 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 58 5.899 4.233 4.423 1.00 0.00 H new ATOM 0 HG22 THR A 58 6.057 4.981 2.816 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.349 5.184 4.023 1.00 0.00 H new ATOM 812 N ARG A 59 7.285 7.341 1.550 1.00 0.00 N ATOM 813 CA ARG A 59 7.425 7.082 0.123 1.00 0.00 C ATOM 814 C ARG A 59 7.761 5.615 -0.133 1.00 0.00 C ATOM 815 O ARG A 59 7.242 5.003 -1.068 1.00 0.00 O ATOM 816 CB ARG A 59 8.512 7.977 -0.475 1.00 0.00 C ATOM 817 CG ARG A 59 8.287 9.459 -0.225 1.00 0.00 C ATOM 818 CD ARG A 59 8.877 10.308 -1.340 1.00 0.00 C ATOM 819 NE ARG A 59 10.293 10.592 -1.121 1.00 0.00 N ATOM 820 CZ ARG A 59 10.734 11.605 -0.383 1.00 0.00 C ATOM 821 NH1 ARG A 59 9.873 12.425 0.205 1.00 0.00 N ATOM 822 NH2 ARG A 59 12.038 11.798 -0.231 1.00 0.00 N ATOM 0 H ARG A 59 8.162 7.540 2.031 1.00 0.00 H new ATOM 0 HA ARG A 59 6.473 7.308 -0.357 1.00 0.00 H new ATOM 0 HB2 ARG A 59 9.477 7.689 -0.058 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.564 7.802 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.218 9.657 -0.142 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.738 9.741 0.726 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.754 9.792 -2.292 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.326 11.246 -1.412 1.00 0.00 H new ATOM 0 HE ARG A 59 10.981 9.979 -1.559 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.870 12.279 0.091 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.214 13.202 0.771 1.00 0.00 H new ATOM 0 HH21 ARG A 59 12.703 11.168 -0.681 1.00 0.00 H new ATOM 0 HH22 ARG A 59 12.376 12.576 0.336 1.00 0.00 H new ATOM 836 N CYS A 60 8.631 5.058 0.702 1.00 0.00 N ATOM 837 CA CYS A 60 9.037 3.664 0.565 1.00 0.00 C ATOM 838 C CYS A 60 8.210 2.765 1.478 1.00 0.00 C ATOM 839 O CYS A 60 7.417 3.246 2.289 1.00 0.00 O ATOM 840 CB CYS A 60 10.524 3.510 0.889 1.00 0.00 C ATOM 841 SG CYS A 60 11.581 4.752 0.109 1.00 0.00 S ATOM 0 H CYS A 60 9.069 5.550 1.481 1.00 0.00 H new ATOM 0 HA CYS A 60 8.864 3.361 -0.468 1.00 0.00 H new ATOM 0 HB2 CYS A 60 10.657 3.562 1.970 1.00 0.00 H new ATOM 0 HB3 CYS A 60 10.853 2.519 0.575 1.00 0.00 H new ATOM 0 HG CYS A 60 12.819 4.540 0.444 1.00 0.00 H new ATOM 847 N CYS A 61 8.398 1.457 1.341 1.00 0.00 N ATOM 848 CA CYS A 61 7.668 0.489 2.151 1.00 0.00 C ATOM 849 C CYS A 61 8.098 0.570 3.613 1.00 0.00 C ATOM 850 O CYS A 61 9.095 1.211 3.942 1.00 0.00 O ATOM 851 CB CYS A 61 7.895 -0.927 1.619 1.00 0.00 C ATOM 852 SG CYS A 61 6.705 -2.156 2.245 1.00 0.00 S ATOM 0 H CYS A 61 9.051 1.042 0.676 1.00 0.00 H new ATOM 0 HA CYS A 61 6.606 0.727 2.089 1.00 0.00 H new ATOM 0 HB2 CYS A 61 7.842 -0.907 0.530 1.00 0.00 H new ATOM 0 HB3 CYS A 61 8.903 -1.246 1.883 1.00 0.00 H new ATOM 0 HG CYS A 61 6.104 -2.727 1.244 1.00 0.00 H new ATOM 857 N GLU A 62 7.337 -0.085 4.484 1.00 0.00 N ATOM 858 CA GLU A 62 7.639 -0.086 5.911 1.00 0.00 C ATOM 859 C GLU A 62 8.488 -1.297 6.286 1.00 0.00 C ATOM 860 O GLU A 62 9.218 -1.274 7.278 1.00 0.00 O ATOM 861 CB GLU A 62 6.345 -0.084 6.729 1.00 0.00 C ATOM 862 CG GLU A 62 6.568 -0.271 8.220 1.00 0.00 C ATOM 863 CD GLU A 62 5.404 0.234 9.051 1.00 0.00 C ATOM 864 OE1 GLU A 62 4.371 -0.465 9.113 1.00 0.00 O ATOM 865 OE2 GLU A 62 5.527 1.328 9.640 1.00 0.00 O ATOM 0 H GLU A 62 6.508 -0.621 4.227 1.00 0.00 H new ATOM 0 HA GLU A 62 8.205 0.818 6.137 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.822 0.858 6.564 1.00 0.00 H new ATOM 0 HB3 GLU A 62 5.694 -0.879 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 62 6.728 -1.329 8.430 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.476 0.254 8.517 1.00 0.00 H new ATOM 872 N LEU A 63 8.388 -2.353 5.487 1.00 0.00 N ATOM 873 CA LEU A 63 9.146 -3.575 5.734 1.00 0.00 C ATOM 874 C LEU A 63 10.259 -3.742 4.705 1.00 0.00 C ATOM 875 O LEU A 63 11.438 -3.810 5.055 1.00 0.00 O ATOM 876 CB LEU A 63 8.218 -4.790 5.701 1.00 0.00 C ATOM 877 CG LEU A 63 7.010 -4.737 6.636 1.00 0.00 C ATOM 878 CD1 LEU A 63 6.029 -5.851 6.304 1.00 0.00 C ATOM 879 CD2 LEU A 63 7.455 -4.831 8.089 1.00 0.00 C ATOM 0 H LEU A 63 7.789 -2.388 4.662 1.00 0.00 H new ATOM 0 HA LEU A 63 9.599 -3.499 6.723 1.00 0.00 H new ATOM 0 HB2 LEU A 63 7.857 -4.919 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 63 8.803 -5.676 5.946 1.00 0.00 H new ATOM 0 HG LEU A 63 6.505 -3.782 6.493 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.175 -5.798 6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.685 -5.739 5.276 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.522 -6.816 6.418 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.582 -4.792 8.740 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.984 -5.771 8.247 1.00 0.00 H new ATOM 0 HD23 LEU A 63 8.118 -3.998 8.321 1.00 0.00 H new ATOM 891 N CYS A 64 9.878 -3.806 3.434 1.00 0.00 N ATOM 892 CA CYS A 64 10.843 -3.964 2.352 1.00 0.00 C ATOM 893 C CYS A 64 11.470 -2.623 1.983 1.00 0.00 C ATOM 894 O CYS A 64 12.359 -2.553 1.134 1.00 0.00 O ATOM 895 CB CYS A 64 10.168 -4.579 1.124 1.00 0.00 C ATOM 896 SG CYS A 64 9.056 -3.440 0.238 1.00 0.00 S ATOM 0 H CYS A 64 8.907 -3.751 3.127 1.00 0.00 H new ATOM 0 HA CYS A 64 11.632 -4.632 2.697 1.00 0.00 H new ATOM 0 HB2 CYS A 64 10.938 -4.927 0.435 1.00 0.00 H new ATOM 0 HB3 CYS A 64 9.600 -5.455 1.436 1.00 0.00 H new ATOM 0 HG CYS A 64 8.015 -3.190 0.975 1.00 0.00 H new ATOM 901 N LYS A 65 11.001 -1.559 2.627 1.00 0.00 N ATOM 902 CA LYS A 65 11.516 -0.220 2.370 1.00 0.00 C ATOM 903 C LYS A 65 11.772 -0.012 0.880 1.00 0.00 C ATOM 904 O LYS A 65 12.821 0.497 0.486 1.00 0.00 O ATOM 905 CB LYS A 65 12.807 0.013 3.157 1.00 0.00 C ATOM 906 CG LYS A 65 12.583 0.223 4.645 1.00 0.00 C ATOM 907 CD LYS A 65 12.227 -1.078 5.344 1.00 0.00 C ATOM 908 CE LYS A 65 12.697 -1.080 6.791 1.00 0.00 C ATOM 909 NZ LYS A 65 12.149 0.076 7.553 1.00 0.00 N ATOM 0 H LYS A 65 10.264 -1.599 3.331 1.00 0.00 H new ATOM 0 HA LYS A 65 10.765 0.499 2.696 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.469 -0.842 3.015 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.319 0.884 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 65 13.483 0.644 5.094 1.00 0.00 H new ATOM 0 HG3 LYS A 65 11.783 0.948 4.795 1.00 0.00 H new ATOM 0 HD2 LYS A 65 11.148 -1.227 5.311 1.00 0.00 H new ATOM 0 HD3 LYS A 65 12.681 -1.914 4.812 1.00 0.00 H new ATOM 0 HE2 LYS A 65 12.391 -2.009 7.271 1.00 0.00 H new ATOM 0 HE3 LYS A 65 13.786 -1.050 6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.335 -0.058 8.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 12.606 0.953 7.230 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.123 0.141 7.394 1.00 0.00 H new ATOM 923 N TYR A 66 10.807 -0.408 0.058 1.00 0.00 N ATOM 924 CA TYR A 66 10.929 -0.267 -1.388 1.00 0.00 C ATOM 925 C TYR A 66 10.188 0.974 -1.878 1.00 0.00 C ATOM 926 O TYR A 66 8.996 1.139 -1.622 1.00 0.00 O ATOM 927 CB TYR A 66 10.384 -1.511 -2.091 1.00 0.00 C ATOM 928 CG TYR A 66 10.451 -1.432 -3.600 1.00 0.00 C ATOM 929 CD1 TYR A 66 11.671 -1.483 -4.263 1.00 0.00 C ATOM 930 CD2 TYR A 66 9.296 -1.307 -4.361 1.00 0.00 C ATOM 931 CE1 TYR A 66 11.738 -1.411 -5.641 1.00 0.00 C ATOM 932 CE2 TYR A 66 9.353 -1.235 -5.739 1.00 0.00 C ATOM 933 CZ TYR A 66 10.576 -1.287 -6.375 1.00 0.00 C ATOM 934 OH TYR A 66 10.637 -1.215 -7.748 1.00 0.00 O ATOM 0 H TYR A 66 9.931 -0.829 0.368 1.00 0.00 H new ATOM 0 HA TYR A 66 11.986 -0.156 -1.629 1.00 0.00 H new ATOM 0 HB2 TYR A 66 10.946 -2.383 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 66 9.348 -1.664 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 66 12.582 -1.581 -3.691 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.337 -1.265 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 66 12.694 -1.452 -6.141 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.445 -1.138 -6.316 1.00 0.00 H new ATOM 0 HH TYR A 66 9.731 -1.131 -8.112 1.00 0.00 H new ATOM 944 N GLU A 67 10.904 1.842 -2.585 1.00 0.00 N ATOM 945 CA GLU A 67 10.315 3.068 -3.112 1.00 0.00 C ATOM 946 C GLU A 67 9.135 2.754 -4.027 1.00 0.00 C ATOM 947 O GLU A 67 9.280 2.051 -5.027 1.00 0.00 O ATOM 948 CB GLU A 67 11.365 3.878 -3.875 1.00 0.00 C ATOM 949 CG GLU A 67 11.131 5.378 -3.824 1.00 0.00 C ATOM 950 CD GLU A 67 12.308 6.171 -4.358 1.00 0.00 C ATOM 951 OE1 GLU A 67 13.434 5.629 -4.363 1.00 0.00 O ATOM 952 OE2 GLU A 67 12.105 7.332 -4.770 1.00 0.00 O ATOM 0 H GLU A 67 11.892 1.720 -2.806 1.00 0.00 H new ATOM 0 HA GLU A 67 9.953 3.658 -2.270 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.350 3.658 -3.464 1.00 0.00 H new ATOM 0 HB3 GLU A 67 11.375 3.555 -4.916 1.00 0.00 H new ATOM 0 HG2 GLU A 67 10.240 5.623 -4.403 1.00 0.00 H new ATOM 0 HG3 GLU A 67 10.934 5.676 -2.794 1.00 0.00 H new ATOM 959 N PHE A 68 7.966 3.281 -3.677 1.00 0.00 N ATOM 960 CA PHE A 68 6.760 3.058 -4.465 1.00 0.00 C ATOM 961 C PHE A 68 6.777 3.901 -5.737 1.00 0.00 C ATOM 962 O PHE A 68 7.412 4.954 -5.787 1.00 0.00 O ATOM 963 CB PHE A 68 5.516 3.388 -3.638 1.00 0.00 C ATOM 964 CG PHE A 68 5.394 2.567 -2.386 1.00 0.00 C ATOM 965 CD1 PHE A 68 5.553 1.191 -2.425 1.00 0.00 C ATOM 966 CD2 PHE A 68 5.120 3.172 -1.170 1.00 0.00 C ATOM 967 CE1 PHE A 68 5.441 0.433 -1.274 1.00 0.00 C ATOM 968 CE2 PHE A 68 5.008 2.419 -0.016 1.00 0.00 C ATOM 969 CZ PHE A 68 5.167 1.048 -0.068 1.00 0.00 C ATOM 0 H PHE A 68 7.829 3.866 -2.852 1.00 0.00 H new ATOM 0 HA PHE A 68 6.731 2.006 -4.748 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.537 4.444 -3.370 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.629 3.233 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.767 0.705 -3.365 1.00 0.00 H new ATOM 0 HD2 PHE A 68 4.993 4.243 -1.123 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.568 -0.639 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 68 4.796 2.903 0.926 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.077 0.458 0.832 1.00 0.00 H new ATOM 979 N ILE A 69 6.075 3.429 -6.762 1.00 0.00 N ATOM 980 CA ILE A 69 6.009 4.139 -8.033 1.00 0.00 C ATOM 981 C ILE A 69 5.343 5.501 -7.868 1.00 0.00 C ATOM 982 O ILE A 69 4.287 5.615 -7.248 1.00 0.00 O ATOM 983 CB ILE A 69 5.238 3.328 -9.092 1.00 0.00 C ATOM 984 CG1 ILE A 69 5.923 1.981 -9.333 1.00 0.00 C ATOM 985 CG2 ILE A 69 5.133 4.115 -10.389 1.00 0.00 C ATOM 986 CD1 ILE A 69 5.107 1.031 -10.181 1.00 0.00 C ATOM 0 H ILE A 69 5.544 2.558 -6.737 1.00 0.00 H new ATOM 0 HA ILE A 69 7.036 4.278 -8.370 1.00 0.00 H new ATOM 0 HB ILE A 69 4.230 3.140 -8.722 1.00 0.00 H new ATOM 0 HG12 ILE A 69 6.884 2.153 -9.817 1.00 0.00 H new ATOM 0 HG13 ILE A 69 6.130 1.511 -8.372 1.00 0.00 H new ATOM 0 HG21 ILE A 69 4.586 3.529 -11.127 1.00 0.00 H new ATOM 0 HG22 ILE A 69 4.605 5.051 -10.205 1.00 0.00 H new ATOM 0 HG23 ILE A 69 6.133 4.330 -10.766 1.00 0.00 H new ATOM 0 HD11 ILE A 69 5.654 0.097 -10.310 1.00 0.00 H new ATOM 0 HD12 ILE A 69 4.156 0.829 -9.688 1.00 0.00 H new ATOM 0 HD13 ILE A 69 4.922 1.481 -11.156 1.00 0.00 H new