USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 485 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 901 GLN : amide:sc= -0.0764 K(o=-0.076,f=-0.92) USER MOD Single : A 902 ASN : amide:sc= 0.843 K(o=0.84,f=0) USER MOD Single : A 904 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 908 SER OG : rot 180:sc= 0 USER MOD Single : A 910 MET CE :methyl -154:sc= -0.0112 (180deg=-0.476) USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 914 SER OG : rot -170:sc= 0 USER MOD Single : A 917 SER OG : rot 180:sc= 0 USER MOD Single : A 919 SER OG : rot 180:sc= 0 USER MOD Single : A 921 THR OG1 : rot 155:sc= 1.43 USER MOD Single : A 924 THR OG1 : rot 75:sc= 1.22 USER MOD Single : A 927 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 929 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 933 SER OG : rot 180:sc= 0 USER MOD Single : A 935 SER OG : rot -94:sc= 1.03 USER MOD Single : A 942 LYS NZ :NH3+ -132:sc= 0.552 (180deg=-0.0278) USER MOD Single : A 944 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0179) USER MOD Single : A 947 ASN : amide:sc= -0.317 K(o=-0.32,f=-1.4) USER MOD Single : A 949 HIS : no HD1:sc= -3.29! C(o=-3.3!,f=-6!) USER MOD Single : A 954 THR OG1 : rot 17:sc= 0.576 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -5.303 -0.584 -12.668 1.00 0.00 N ATOM 213 CA ARG A 896 -5.161 0.118 -11.398 1.00 0.00 C ATOM 214 C ARG A 896 -5.119 -0.867 -10.234 1.00 0.00 C ATOM 215 O ARG A 896 -4.236 -0.796 -9.380 1.00 0.00 O ATOM 216 CB ARG A 896 -6.314 1.104 -11.205 1.00 0.00 C ATOM 217 CG ARG A 896 -6.318 1.778 -9.842 1.00 0.00 C ATOM 218 CD ARG A 896 -7.708 2.267 -9.466 1.00 0.00 C ATOM 219 NE ARG A 896 -8.111 3.428 -10.254 1.00 0.00 N ATOM 220 CZ ARG A 896 -9.373 3.818 -10.397 1.00 0.00 C ATOM 221 NH1 ARG A 896 -10.349 3.141 -9.807 1.00 0.00 N ATOM 222 NH2 ARG A 896 -9.661 4.885 -11.130 1.00 0.00 N ATOM 0 HA ARG A 896 -4.221 0.669 -11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -6.260 1.869 -11.979 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -7.258 0.577 -11.343 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -5.961 1.077 -9.087 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.625 2.619 -9.849 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -8.428 1.462 -9.613 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -7.728 2.523 -8.407 1.00 0.00 H new ATOM 0 HE ARG A 896 -7.383 3.970 -10.721 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -10.131 2.320 -9.243 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -11.317 3.442 -9.918 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -8.913 5.408 -11.585 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -10.631 5.183 -11.238 1.00 0.00 H new ATOM 236 N GLU A 897 -6.080 -1.785 -10.207 1.00 0.00 N ATOM 237 CA GLU A 897 -6.153 -2.783 -9.147 1.00 0.00 C ATOM 238 C GLU A 897 -4.761 -3.287 -8.777 1.00 0.00 C ATOM 239 O GLU A 897 -4.328 -3.158 -7.633 1.00 0.00 O ATOM 240 CB GLU A 897 -7.034 -3.957 -9.580 1.00 0.00 C ATOM 241 CG GLU A 897 -8.519 -3.636 -9.581 1.00 0.00 C ATOM 242 CD GLU A 897 -9.385 -4.879 -9.636 1.00 0.00 C ATOM 243 OE1 GLU A 897 -8.859 -5.980 -9.369 1.00 0.00 O ATOM 244 OE2 GLU A 897 -10.588 -4.752 -9.945 1.00 0.00 O ATOM 0 H GLU A 897 -6.818 -1.858 -10.907 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.595 -2.311 -8.269 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -6.738 -4.272 -10.581 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -6.854 -4.801 -8.914 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -8.764 -3.066 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -8.749 -3.000 -10.436 1.00 0.00 H new ATOM 251 N GLU A 898 -4.067 -3.862 -9.755 1.00 0.00 N ATOM 252 CA GLU A 898 -2.725 -4.386 -9.531 1.00 0.00 C ATOM 253 C GLU A 898 -1.910 -3.439 -8.655 1.00 0.00 C ATOM 254 O GLU A 898 -1.328 -3.851 -7.652 1.00 0.00 O ATOM 255 CB GLU A 898 -2.011 -4.606 -10.866 1.00 0.00 C ATOM 256 CG GLU A 898 -1.751 -3.322 -11.636 1.00 0.00 C ATOM 257 CD GLU A 898 -1.278 -3.577 -13.054 1.00 0.00 C ATOM 258 OE1 GLU A 898 -2.092 -4.047 -13.876 1.00 0.00 O ATOM 259 OE2 GLU A 898 -0.093 -3.307 -13.341 1.00 0.00 O ATOM 0 H GLU A 898 -4.412 -3.976 -10.708 1.00 0.00 H new ATOM 0 HA GLU A 898 -2.817 -5.341 -9.014 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -1.061 -5.108 -10.682 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -2.611 -5.275 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -2.664 -2.728 -11.663 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -1.002 -2.732 -11.108 1.00 0.00 H new ATOM 266 N ALA A 899 -1.873 -2.169 -9.043 1.00 0.00 N ATOM 267 CA ALA A 899 -1.131 -1.163 -8.293 1.00 0.00 C ATOM 268 C ALA A 899 -1.556 -1.145 -6.829 1.00 0.00 C ATOM 269 O ALA A 899 -0.717 -1.199 -5.929 1.00 0.00 O ATOM 270 CB ALA A 899 -1.325 0.211 -8.918 1.00 0.00 C ATOM 0 H ALA A 899 -2.348 -1.812 -9.872 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.073 -1.423 -8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -0.765 0.952 -8.348 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -0.965 0.197 -9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.384 0.469 -8.908 1.00 0.00 H new ATOM 276 N ILE A 900 -2.862 -1.068 -6.598 1.00 0.00 N ATOM 277 CA ILE A 900 -3.397 -1.043 -5.242 1.00 0.00 C ATOM 278 C ILE A 900 -2.870 -2.215 -4.421 1.00 0.00 C ATOM 279 O ILE A 900 -2.129 -2.026 -3.457 1.00 0.00 O ATOM 280 CB ILE A 900 -4.937 -1.084 -5.244 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.501 0.171 -5.914 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.465 -1.216 -3.823 1.00 0.00 C ATOM 283 CD1 ILE A 900 -6.979 0.078 -6.223 1.00 0.00 C ATOM 0 H ILE A 900 -3.569 -1.022 -7.332 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.067 -0.108 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.262 -1.954 -5.814 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.327 1.029 -5.265 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -4.955 0.356 -6.839 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.555 -1.244 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.086 -2.136 -3.378 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.133 -0.363 -3.231 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.311 1.002 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.158 -0.760 -6.897 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.535 -0.076 -5.298 1.00 0.00 H new ATOM 295 N GLN A 901 -3.256 -3.425 -4.812 1.00 0.00 N ATOM 296 CA GLN A 901 -2.821 -4.628 -4.113 1.00 0.00 C ATOM 297 C GLN A 901 -1.307 -4.634 -3.930 1.00 0.00 C ATOM 298 O GLN A 901 -0.807 -4.790 -2.817 1.00 0.00 O ATOM 299 CB GLN A 901 -3.259 -5.877 -4.881 1.00 0.00 C ATOM 300 CG GLN A 901 -4.729 -6.217 -4.701 1.00 0.00 C ATOM 301 CD GLN A 901 -5.316 -6.923 -5.907 1.00 0.00 C ATOM 302 OE1 GLN A 901 -4.996 -6.595 -7.050 1.00 0.00 O ATOM 303 NE2 GLN A 901 -6.181 -7.900 -5.659 1.00 0.00 N ATOM 0 H GLN A 901 -3.869 -3.598 -5.609 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.288 -4.634 -3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -3.056 -5.731 -5.942 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.656 -6.724 -4.554 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -4.847 -6.850 -3.821 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -5.289 -5.301 -4.512 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -6.418 -8.139 -4.696 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -6.608 -8.411 -6.431 1.00 0.00 H new ATOM 312 N ASN A 902 -0.582 -4.463 -5.031 1.00 0.00 N ATOM 313 CA ASN A 902 0.876 -4.449 -4.992 1.00 0.00 C ATOM 314 C ASN A 902 1.384 -3.403 -4.005 1.00 0.00 C ATOM 315 O ASN A 902 2.375 -3.620 -3.309 1.00 0.00 O ATOM 316 CB ASN A 902 1.441 -4.170 -6.386 1.00 0.00 C ATOM 317 CG ASN A 902 1.664 -5.439 -7.185 1.00 0.00 C ATOM 318 OD1 ASN A 902 2.765 -5.990 -7.202 1.00 0.00 O ATOM 319 ND2 ASN A 902 0.617 -5.910 -7.852 1.00 0.00 N ATOM 0 H ASN A 902 -0.980 -4.332 -5.961 1.00 0.00 H new ATOM 0 HA ASN A 902 1.216 -5.430 -4.660 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.756 -3.518 -6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.385 -3.633 -6.292 1.00 0.00 H new ATOM 0 HD21 ASN A 902 0.707 -6.761 -8.407 1.00 0.00 H new ATOM 0 HD22 ASN A 902 -0.277 -5.421 -7.809 1.00 0.00 H new ATOM 326 N PHE A 903 0.697 -2.266 -3.950 1.00 0.00 N ATOM 327 CA PHE A 903 1.078 -1.185 -3.049 1.00 0.00 C ATOM 328 C PHE A 903 1.085 -1.662 -1.600 1.00 0.00 C ATOM 329 O PHE A 903 2.047 -1.438 -0.865 1.00 0.00 O ATOM 330 CB PHE A 903 0.120 -0.002 -3.204 1.00 0.00 C ATOM 331 CG PHE A 903 0.638 1.272 -2.600 1.00 0.00 C ATOM 332 CD1 PHE A 903 1.673 1.969 -3.203 1.00 0.00 C ATOM 333 CD2 PHE A 903 0.091 1.772 -1.430 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.152 3.142 -2.650 1.00 0.00 C ATOM 335 CE2 PHE A 903 0.565 2.945 -0.873 1.00 0.00 C ATOM 336 CZ PHE A 903 1.598 3.629 -1.483 1.00 0.00 C ATOM 0 H PHE A 903 -0.126 -2.070 -4.519 1.00 0.00 H new ATOM 0 HA PHE A 903 2.086 -0.864 -3.312 1.00 0.00 H new ATOM 0 HB2 PHE A 903 -0.075 0.161 -4.264 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.833 -0.254 -2.739 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.110 1.591 -4.115 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.715 1.239 -0.947 1.00 0.00 H new ATOM 0 HE1 PHE A 903 2.958 3.677 -3.130 1.00 0.00 H new ATOM 0 HE2 PHE A 903 0.128 3.326 0.038 1.00 0.00 H new ATOM 0 HZ PHE A 903 1.972 4.544 -1.048 1.00 0.00 H new ATOM 346 N LYS A 904 0.004 -2.320 -1.195 1.00 0.00 N ATOM 347 CA LYS A 904 -0.116 -2.830 0.166 1.00 0.00 C ATOM 348 C LYS A 904 0.998 -3.824 0.475 1.00 0.00 C ATOM 349 O LYS A 904 1.650 -3.737 1.516 1.00 0.00 O ATOM 350 CB LYS A 904 -1.479 -3.498 0.363 1.00 0.00 C ATOM 351 CG LYS A 904 -2.651 -2.543 0.222 1.00 0.00 C ATOM 352 CD LYS A 904 -3.943 -3.285 -0.076 1.00 0.00 C ATOM 353 CE LYS A 904 -5.111 -2.325 -0.243 1.00 0.00 C ATOM 354 NZ LYS A 904 -6.308 -3.003 -0.815 1.00 0.00 N ATOM 0 H LYS A 904 -0.802 -2.513 -1.790 1.00 0.00 H new ATOM 0 HA LYS A 904 -0.028 -1.988 0.852 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.588 -4.303 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.511 -3.955 1.352 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -2.765 -1.967 1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.447 -1.831 -0.577 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -3.823 -3.876 -0.984 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -4.158 -3.984 0.733 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -5.366 -1.892 0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -4.815 -1.502 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -7.082 -2.316 -0.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -6.072 -3.395 -1.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -6.607 -3.773 -0.182 1.00 0.00 H new ATOM 368 N ALA A 905 1.214 -4.767 -0.436 1.00 0.00 N ATOM 369 CA ALA A 905 2.252 -5.775 -0.262 1.00 0.00 C ATOM 370 C ALA A 905 3.626 -5.129 -0.116 1.00 0.00 C ATOM 371 O ALA A 905 4.445 -5.564 0.694 1.00 0.00 O ATOM 372 CB ALA A 905 2.245 -6.748 -1.432 1.00 0.00 C ATOM 0 H ALA A 905 0.683 -4.854 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 905 2.039 -6.325 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 905 3.025 -7.495 -1.288 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.275 -7.242 -1.488 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.429 -6.204 -2.359 1.00 0.00 H new ATOM 378 N LEU A 906 3.871 -4.089 -0.906 1.00 0.00 N ATOM 379 CA LEU A 906 5.147 -3.383 -0.866 1.00 0.00 C ATOM 380 C LEU A 906 5.352 -2.705 0.486 1.00 0.00 C ATOM 381 O LEU A 906 6.474 -2.624 0.988 1.00 0.00 O ATOM 382 CB LEU A 906 5.212 -2.342 -1.985 1.00 0.00 C ATOM 383 CG LEU A 906 6.320 -1.295 -1.865 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.655 -1.879 -2.298 1.00 0.00 C ATOM 385 CD2 LEU A 906 5.981 -0.064 -2.693 1.00 0.00 C ATOM 0 H LEU A 906 3.204 -3.716 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 906 5.943 -4.114 -1.011 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.335 -2.865 -2.933 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.254 -1.824 -2.028 1.00 0.00 H new ATOM 0 HG LEU A 906 6.400 -0.996 -0.820 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.431 -1.120 -2.206 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.903 -2.730 -1.664 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.589 -2.207 -3.335 1.00 0.00 H new ATOM 0 HD21 LEU A 906 6.780 0.671 -2.596 1.00 0.00 H new ATOM 0 HD22 LEU A 906 5.874 -0.348 -3.740 1.00 0.00 H new ATOM 0 HD23 LEU A 906 5.046 0.368 -2.337 1.00 0.00 H new ATOM 397 N LEU A 907 4.262 -2.222 1.071 1.00 0.00 N ATOM 398 CA LEU A 907 4.321 -1.554 2.366 1.00 0.00 C ATOM 399 C LEU A 907 4.736 -2.528 3.463 1.00 0.00 C ATOM 400 O LEU A 907 5.618 -2.233 4.269 1.00 0.00 O ATOM 401 CB LEU A 907 2.964 -0.934 2.704 1.00 0.00 C ATOM 402 CG LEU A 907 2.561 0.291 1.882 1.00 0.00 C ATOM 403 CD1 LEU A 907 1.111 0.662 2.152 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.480 1.464 2.188 1.00 0.00 C ATOM 0 H LEU A 907 3.326 -2.280 0.669 1.00 0.00 H new ATOM 0 HA LEU A 907 5.070 -0.764 2.306 1.00 0.00 H new ATOM 0 HB2 LEU A 907 2.197 -1.698 2.579 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.967 -0.654 3.758 1.00 0.00 H new ATOM 0 HG LEU A 907 2.660 0.044 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.842 1.536 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.465 -0.173 1.881 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.985 0.890 3.210 1.00 0.00 H new ATOM 0 HD21 LEU A 907 3.179 2.327 1.594 1.00 0.00 H new ATOM 0 HD22 LEU A 907 3.414 1.711 3.247 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.507 1.195 1.942 1.00 0.00 H new ATOM 416 N SER A 908 4.094 -3.692 3.487 1.00 0.00 N ATOM 417 CA SER A 908 4.396 -4.710 4.487 1.00 0.00 C ATOM 418 C SER A 908 5.845 -5.173 4.371 1.00 0.00 C ATOM 419 O SER A 908 6.561 -5.261 5.369 1.00 0.00 O ATOM 420 CB SER A 908 3.453 -5.905 4.329 1.00 0.00 C ATOM 421 OG SER A 908 3.656 -6.855 5.361 1.00 0.00 O ATOM 0 H SER A 908 3.362 -3.953 2.826 1.00 0.00 H new ATOM 0 HA SER A 908 4.252 -4.269 5.473 1.00 0.00 H new ATOM 0 HB2 SER A 908 2.419 -5.561 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.617 -6.376 3.360 1.00 0.00 H new ATOM 0 HG SER A 908 3.041 -7.608 5.238 1.00 0.00 H new ATOM 427 N ASP A 909 6.270 -5.467 3.148 1.00 0.00 N ATOM 428 CA ASP A 909 7.633 -5.920 2.900 1.00 0.00 C ATOM 429 C ASP A 909 8.642 -4.840 3.279 1.00 0.00 C ATOM 430 O ASP A 909 9.431 -5.012 4.207 1.00 0.00 O ATOM 431 CB ASP A 909 7.807 -6.303 1.429 1.00 0.00 C ATOM 432 CG ASP A 909 7.487 -7.762 1.170 1.00 0.00 C ATOM 433 OD1 ASP A 909 8.236 -8.630 1.663 1.00 0.00 O ATOM 434 OD2 ASP A 909 6.486 -8.036 0.473 1.00 0.00 O ATOM 0 H ASP A 909 5.690 -5.400 2.312 1.00 0.00 H new ATOM 0 HA ASP A 909 7.816 -6.798 3.520 1.00 0.00 H new ATOM 0 HB2 ASP A 909 7.160 -5.677 0.814 1.00 0.00 H new ATOM 0 HB3 ASP A 909 8.833 -6.099 1.122 1.00 0.00 H new ATOM 439 N MET A 910 8.610 -3.726 2.553 1.00 0.00 N ATOM 440 CA MET A 910 9.521 -2.618 2.814 1.00 0.00 C ATOM 441 C MET A 910 9.263 -2.015 4.191 1.00 0.00 C ATOM 442 O MET A 910 10.169 -1.925 5.020 1.00 0.00 O ATOM 443 CB MET A 910 9.372 -1.543 1.737 1.00 0.00 C ATOM 444 CG MET A 910 9.822 -1.997 0.358 1.00 0.00 C ATOM 445 SD MET A 910 11.613 -1.938 0.157 1.00 0.00 S ATOM 446 CE MET A 910 11.880 -0.173 0.012 1.00 0.00 C ATOM 0 H MET A 910 7.963 -3.568 1.780 1.00 0.00 H new ATOM 0 HA MET A 910 10.540 -3.005 2.792 1.00 0.00 H new ATOM 0 HB2 MET A 910 8.328 -1.234 1.686 1.00 0.00 H new ATOM 0 HB3 MET A 910 9.950 -0.666 2.028 1.00 0.00 H new ATOM 0 HG2 MET A 910 9.474 -3.015 0.184 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.354 -1.366 -0.398 1.00 0.00 H new ATOM 0 HE1 MET A 910 12.793 0.012 -0.555 1.00 0.00 H new ATOM 0 HE2 MET A 910 11.034 0.282 -0.504 1.00 0.00 H new ATOM 0 HE3 MET A 910 11.976 0.263 1.006 1.00 0.00 H new ATOM 456 N VAL A 911 8.022 -1.602 4.428 1.00 0.00 N ATOM 457 CA VAL A 911 7.645 -1.007 5.705 1.00 0.00 C ATOM 458 C VAL A 911 6.895 -2.008 6.577 1.00 0.00 C ATOM 459 O VAL A 911 5.693 -1.870 6.804 1.00 0.00 O ATOM 460 CB VAL A 911 6.767 0.242 5.505 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.596 0.991 6.818 1.00 0.00 C ATOM 462 CG2 VAL A 911 7.365 1.148 4.439 1.00 0.00 C ATOM 0 H VAL A 911 7.261 -1.668 3.753 1.00 0.00 H new ATOM 0 HA VAL A 911 8.569 -0.716 6.204 1.00 0.00 H new ATOM 0 HB VAL A 911 5.782 -0.078 5.166 1.00 0.00 H new ATOM 0 HG11 VAL A 911 5.973 1.871 6.657 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.120 0.338 7.550 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.573 1.302 7.190 1.00 0.00 H new ATOM 0 HG21 VAL A 911 6.732 2.026 4.310 1.00 0.00 H new ATOM 0 HG22 VAL A 911 8.363 1.462 4.746 1.00 0.00 H new ATOM 0 HG23 VAL A 911 7.430 0.606 3.495 1.00 0.00 H new ATOM 472 N ARG A 912 7.613 -3.015 7.063 1.00 0.00 N ATOM 473 CA ARG A 912 7.015 -4.040 7.910 1.00 0.00 C ATOM 474 C ARG A 912 6.771 -3.507 9.319 1.00 0.00 C ATOM 475 O ARG A 912 5.889 -3.987 10.031 1.00 0.00 O ATOM 476 CB ARG A 912 7.918 -5.274 7.969 1.00 0.00 C ATOM 477 CG ARG A 912 7.185 -6.547 8.357 1.00 0.00 C ATOM 478 CD ARG A 912 8.066 -7.774 8.180 1.00 0.00 C ATOM 479 NE ARG A 912 8.896 -8.025 9.355 1.00 0.00 N ATOM 480 CZ ARG A 912 10.068 -7.437 9.567 1.00 0.00 C ATOM 481 NH1 ARG A 912 10.546 -6.567 8.688 1.00 0.00 N ATOM 482 NH2 ARG A 912 10.765 -7.718 10.661 1.00 0.00 N ATOM 0 H ARG A 912 8.609 -3.143 6.885 1.00 0.00 H new ATOM 0 HA ARG A 912 6.056 -4.321 7.475 1.00 0.00 H new ATOM 0 HB2 ARG A 912 8.387 -5.417 6.996 1.00 0.00 H new ATOM 0 HB3 ARG A 912 8.719 -5.093 8.686 1.00 0.00 H new ATOM 0 HG2 ARG A 912 6.859 -6.478 9.395 1.00 0.00 H new ATOM 0 HG3 ARG A 912 6.287 -6.651 7.747 1.00 0.00 H new ATOM 0 HD2 ARG A 912 7.440 -8.645 7.985 1.00 0.00 H new ATOM 0 HD3 ARG A 912 8.705 -7.639 7.307 1.00 0.00 H new ATOM 0 HE ARG A 912 8.557 -8.689 10.051 1.00 0.00 H new ATOM 0 HH11 ARG A 912 10.013 -6.348 7.846 1.00 0.00 H new ATOM 0 HH12 ARG A 912 11.446 -6.117 8.854 1.00 0.00 H new ATOM 0 HH21 ARG A 912 10.401 -8.386 11.340 1.00 0.00 H new ATOM 0 HH22 ARG A 912 11.665 -7.266 10.823 1.00 0.00 H new ATOM 496 N SER A 913 7.560 -2.513 9.715 1.00 0.00 N ATOM 497 CA SER A 913 7.433 -1.918 11.040 1.00 0.00 C ATOM 498 C SER A 913 6.328 -0.865 11.059 1.00 0.00 C ATOM 499 O SER A 913 5.889 -0.391 10.011 1.00 0.00 O ATOM 500 CB SER A 913 8.760 -1.289 11.469 1.00 0.00 C ATOM 501 OG SER A 913 9.569 -2.225 12.159 1.00 0.00 O ATOM 0 H SER A 913 8.294 -2.103 9.137 1.00 0.00 H new ATOM 0 HA SER A 913 7.170 -2.709 11.743 1.00 0.00 H new ATOM 0 HB2 SER A 913 9.292 -0.921 10.592 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.568 -0.428 12.109 1.00 0.00 H new ATOM 0 HG SER A 913 10.412 -1.799 12.421 1.00 0.00 H new ATOM 507 N SER A 914 5.884 -0.505 12.259 1.00 0.00 N ATOM 508 CA SER A 914 4.828 0.488 12.416 1.00 0.00 C ATOM 509 C SER A 914 5.317 1.675 13.241 1.00 0.00 C ATOM 510 O SER A 914 4.518 2.432 13.793 1.00 0.00 O ATOM 511 CB SER A 914 3.602 -0.140 13.081 1.00 0.00 C ATOM 512 OG SER A 914 3.981 -0.975 14.162 1.00 0.00 O ATOM 0 H SER A 914 6.239 -0.886 13.136 1.00 0.00 H new ATOM 0 HA SER A 914 4.550 0.846 11.425 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.936 0.645 13.440 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.043 -0.721 12.347 1.00 0.00 H new ATOM 0 HG SER A 914 3.203 -1.485 14.469 1.00 0.00 H new ATOM 518 N ASP A 915 6.634 1.829 13.321 1.00 0.00 N ATOM 519 CA ASP A 915 7.231 2.924 14.078 1.00 0.00 C ATOM 520 C ASP A 915 7.876 3.942 13.143 1.00 0.00 C ATOM 521 O ASP A 915 8.886 4.559 13.482 1.00 0.00 O ATOM 522 CB ASP A 915 8.271 2.384 15.061 1.00 0.00 C ATOM 523 CG ASP A 915 7.637 1.714 16.264 1.00 0.00 C ATOM 524 OD1 ASP A 915 6.652 0.970 16.078 1.00 0.00 O ATOM 525 OD2 ASP A 915 8.127 1.933 17.392 1.00 0.00 O ATOM 0 H ASP A 915 7.309 1.210 12.871 1.00 0.00 H new ATOM 0 HA ASP A 915 6.439 3.422 14.637 1.00 0.00 H new ATOM 0 HB2 ASP A 915 8.915 1.669 14.548 1.00 0.00 H new ATOM 0 HB3 ASP A 915 8.908 3.202 15.398 1.00 0.00 H new ATOM 530 N VAL A 916 7.286 4.113 11.964 1.00 0.00 N ATOM 531 CA VAL A 916 7.804 5.056 10.980 1.00 0.00 C ATOM 532 C VAL A 916 6.795 6.165 10.699 1.00 0.00 C ATOM 533 O VAL A 916 5.660 6.120 11.172 1.00 0.00 O ATOM 534 CB VAL A 916 8.156 4.351 9.657 1.00 0.00 C ATOM 535 CG1 VAL A 916 9.259 3.326 9.876 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.921 3.696 9.057 1.00 0.00 C ATOM 0 H VAL A 916 6.449 3.611 11.667 1.00 0.00 H new ATOM 0 HA VAL A 916 8.710 5.490 11.403 1.00 0.00 H new ATOM 0 HB VAL A 916 8.521 5.099 8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 916 9.495 2.838 8.930 1.00 0.00 H new ATOM 0 HG12 VAL A 916 10.149 3.825 10.258 1.00 0.00 H new ATOM 0 HG13 VAL A 916 8.924 2.580 10.596 1.00 0.00 H new ATOM 0 HG21 VAL A 916 7.188 3.203 8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 916 6.524 2.959 9.756 1.00 0.00 H new ATOM 0 HG23 VAL A 916 6.164 4.456 8.862 1.00 0.00 H new ATOM 546 N SER A 917 7.218 7.159 9.925 1.00 0.00 N ATOM 547 CA SER A 917 6.353 8.282 9.583 1.00 0.00 C ATOM 548 C SER A 917 5.985 8.253 8.103 1.00 0.00 C ATOM 549 O SER A 917 6.675 7.635 7.293 1.00 0.00 O ATOM 550 CB SER A 917 7.042 9.606 9.923 1.00 0.00 C ATOM 551 OG SER A 917 6.099 10.659 10.028 1.00 0.00 O ATOM 0 H SER A 917 8.154 7.210 9.523 1.00 0.00 H new ATOM 0 HA SER A 917 5.438 8.196 10.169 1.00 0.00 H new ATOM 0 HB2 SER A 917 7.586 9.506 10.862 1.00 0.00 H new ATOM 0 HB3 SER A 917 7.776 9.846 9.153 1.00 0.00 H new ATOM 0 HG SER A 917 6.564 11.494 10.247 1.00 0.00 H new ATOM 557 N TRP A 918 4.894 8.927 7.758 1.00 0.00 N ATOM 558 CA TRP A 918 4.433 8.979 6.375 1.00 0.00 C ATOM 559 C TRP A 918 5.546 9.454 5.448 1.00 0.00 C ATOM 560 O TRP A 918 5.898 8.773 4.485 1.00 0.00 O ATOM 561 CB TRP A 918 3.222 9.905 6.254 1.00 0.00 C ATOM 562 CG TRP A 918 2.912 10.296 4.841 1.00 0.00 C ATOM 563 CD1 TRP A 918 2.639 11.552 4.380 1.00 0.00 C ATOM 564 CD2 TRP A 918 2.842 9.426 3.706 1.00 0.00 C ATOM 565 NE1 TRP A 918 2.403 11.515 3.026 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.523 10.223 2.589 1.00 0.00 C ATOM 567 CE3 TRP A 918 3.020 8.052 3.525 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.377 9.688 1.312 1.00 0.00 C ATOM 569 CZ3 TRP A 918 2.875 7.523 2.256 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.557 8.340 1.163 1.00 0.00 C ATOM 0 H TRP A 918 4.312 9.445 8.416 1.00 0.00 H new ATOM 0 HA TRP A 918 4.142 7.972 6.077 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.352 9.411 6.686 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.402 10.805 6.841 1.00 0.00 H new ATOM 0 HD1 TRP A 918 2.612 12.443 4.989 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.175 12.320 2.442 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.266 7.415 4.361 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.130 10.315 0.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 3.009 6.462 2.105 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.452 7.897 0.184 1.00 0.00 H new ATOM 581 N SER A 919 6.097 10.627 5.744 1.00 0.00 N ATOM 582 CA SER A 919 7.168 11.195 4.934 1.00 0.00 C ATOM 583 C SER A 919 8.259 10.160 4.674 1.00 0.00 C ATOM 584 O SER A 919 8.451 9.716 3.542 1.00 0.00 O ATOM 585 CB SER A 919 7.767 12.420 5.628 1.00 0.00 C ATOM 586 OG SER A 919 8.472 13.234 4.707 1.00 0.00 O ATOM 0 H SER A 919 5.819 11.202 6.539 1.00 0.00 H new ATOM 0 HA SER A 919 6.744 11.500 3.977 1.00 0.00 H new ATOM 0 HB2 SER A 919 6.973 13.001 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 919 8.440 12.099 6.423 1.00 0.00 H new ATOM 0 HG SER A 919 8.844 14.011 5.175 1.00 0.00 H new ATOM 592 N ASP A 920 8.970 9.782 5.730 1.00 0.00 N ATOM 593 CA ASP A 920 10.042 8.799 5.617 1.00 0.00 C ATOM 594 C ASP A 920 9.660 7.688 4.644 1.00 0.00 C ATOM 595 O ASP A 920 10.416 7.364 3.727 1.00 0.00 O ATOM 596 CB ASP A 920 10.362 8.204 6.989 1.00 0.00 C ATOM 597 CG ASP A 920 10.764 9.260 7.999 1.00 0.00 C ATOM 598 OD1 ASP A 920 11.739 9.994 7.734 1.00 0.00 O ATOM 599 OD2 ASP A 920 10.104 9.353 9.055 1.00 0.00 O ATOM 0 H ASP A 920 8.824 10.141 6.674 1.00 0.00 H new ATOM 0 HA ASP A 920 10.928 9.305 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 920 9.491 7.664 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 920 11.168 7.477 6.887 1.00 0.00 H new ATOM 604 N THR A 921 8.483 7.106 4.849 1.00 0.00 N ATOM 605 CA THR A 921 8.002 6.030 3.992 1.00 0.00 C ATOM 606 C THR A 921 7.905 6.486 2.541 1.00 0.00 C ATOM 607 O THR A 921 8.331 5.777 1.628 1.00 0.00 O ATOM 608 CB THR A 921 6.623 5.520 4.451 1.00 0.00 C ATOM 609 OG1 THR A 921 6.714 4.987 5.777 1.00 0.00 O ATOM 610 CG2 THR A 921 6.099 4.451 3.505 1.00 0.00 C ATOM 0 H THR A 921 7.845 7.362 5.602 1.00 0.00 H new ATOM 0 HA THR A 921 8.725 5.218 4.068 1.00 0.00 H new ATOM 0 HB THR A 921 5.929 6.361 4.444 1.00 0.00 H new ATOM 0 HG1 THR A 921 5.835 5.031 6.208 1.00 0.00 H new ATOM 0 HG21 THR A 921 5.124 4.106 3.850 1.00 0.00 H new ATOM 0 HG22 THR A 921 6.003 4.868 2.502 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.794 3.612 3.484 1.00 0.00 H new ATOM 618 N ARG A 922 7.342 7.672 2.334 1.00 0.00 N ATOM 619 CA ARG A 922 7.189 8.222 0.992 1.00 0.00 C ATOM 620 C ARG A 922 8.526 8.240 0.256 1.00 0.00 C ATOM 621 O ARG A 922 8.612 7.842 -0.906 1.00 0.00 O ATOM 622 CB ARG A 922 6.614 9.637 1.060 1.00 0.00 C ATOM 623 CG ARG A 922 5.970 10.096 -0.238 1.00 0.00 C ATOM 624 CD ARG A 922 5.141 11.354 -0.035 1.00 0.00 C ATOM 625 NE ARG A 922 5.096 12.181 -1.238 1.00 0.00 N ATOM 626 CZ ARG A 922 6.171 12.732 -1.791 1.00 0.00 C ATOM 627 NH1 ARG A 922 7.368 12.545 -1.252 1.00 0.00 N ATOM 628 NH2 ARG A 922 6.049 13.472 -2.886 1.00 0.00 N ATOM 0 H ARG A 922 6.984 8.271 3.078 1.00 0.00 H new ATOM 0 HA ARG A 922 6.499 7.583 0.441 1.00 0.00 H new ATOM 0 HB2 ARG A 922 5.873 9.681 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.411 10.332 1.326 1.00 0.00 H new ATOM 0 HG2 ARG A 922 6.744 10.285 -0.982 1.00 0.00 H new ATOM 0 HG3 ARG A 922 5.336 9.301 -0.632 1.00 0.00 H new ATOM 0 HD2 ARG A 922 4.127 11.077 0.252 1.00 0.00 H new ATOM 0 HD3 ARG A 922 5.558 11.934 0.788 1.00 0.00 H new ATOM 0 HE ARG A 922 4.190 12.344 -1.677 1.00 0.00 H new ATOM 0 HH11 ARG A 922 7.465 11.977 -0.411 1.00 0.00 H new ATOM 0 HH12 ARG A 922 8.191 12.969 -1.679 1.00 0.00 H new ATOM 0 HH21 ARG A 922 5.130 13.618 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 922 6.875 13.895 -3.310 1.00 0.00 H new ATOM 642 N ARG A 923 9.566 8.704 0.941 1.00 0.00 N ATOM 643 CA ARG A 923 10.898 8.775 0.352 1.00 0.00 C ATOM 644 C ARG A 923 11.514 7.385 0.229 1.00 0.00 C ATOM 645 O ARG A 923 12.385 7.151 -0.609 1.00 0.00 O ATOM 646 CB ARG A 923 11.804 9.674 1.196 1.00 0.00 C ATOM 647 CG ARG A 923 12.027 9.159 2.609 1.00 0.00 C ATOM 648 CD ARG A 923 13.264 9.780 3.239 1.00 0.00 C ATOM 649 NE ARG A 923 13.448 9.349 4.622 1.00 0.00 N ATOM 650 CZ ARG A 923 14.510 9.664 5.355 1.00 0.00 C ATOM 651 NH1 ARG A 923 15.478 10.409 4.839 1.00 0.00 N ATOM 652 NH2 ARG A 923 14.605 9.235 6.607 1.00 0.00 N ATOM 0 H ARG A 923 9.512 9.036 1.904 1.00 0.00 H new ATOM 0 HA ARG A 923 10.804 9.200 -0.647 1.00 0.00 H new ATOM 0 HB2 ARG A 923 12.769 9.774 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 923 11.367 10.671 1.246 1.00 0.00 H new ATOM 0 HG2 ARG A 923 11.154 9.383 3.221 1.00 0.00 H new ATOM 0 HG3 ARG A 923 12.133 8.074 2.590 1.00 0.00 H new ATOM 0 HD2 ARG A 923 14.143 9.509 2.655 1.00 0.00 H new ATOM 0 HD3 ARG A 923 13.181 10.866 3.206 1.00 0.00 H new ATOM 0 HE ARG A 923 12.721 8.775 5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 923 15.408 10.741 3.877 1.00 0.00 H new ATOM 0 HH12 ARG A 923 16.293 10.650 5.404 1.00 0.00 H new ATOM 0 HH21 ARG A 923 13.862 8.663 7.008 1.00 0.00 H new ATOM 0 HH22 ARG A 923 15.421 9.478 7.169 1.00 0.00 H new ATOM 666 N THR A 924 11.056 6.464 1.072 1.00 0.00 N ATOM 667 CA THR A 924 11.562 5.097 1.059 1.00 0.00 C ATOM 668 C THR A 924 11.010 4.317 -0.128 1.00 0.00 C ATOM 669 O THR A 924 11.735 3.566 -0.782 1.00 0.00 O ATOM 670 CB THR A 924 11.202 4.353 2.359 1.00 0.00 C ATOM 671 OG1 THR A 924 11.799 5.012 3.482 1.00 0.00 O ATOM 672 CG2 THR A 924 11.673 2.908 2.304 1.00 0.00 C ATOM 0 H THR A 924 10.336 6.640 1.772 1.00 0.00 H new ATOM 0 HA THR A 924 12.647 5.163 0.974 1.00 0.00 H new ATOM 0 HB THR A 924 10.117 4.361 2.468 1.00 0.00 H new ATOM 0 HG1 THR A 924 11.302 5.833 3.682 1.00 0.00 H new ATOM 0 HG21 THR A 924 11.408 2.403 3.233 1.00 0.00 H new ATOM 0 HG22 THR A 924 11.195 2.401 1.466 1.00 0.00 H new ATOM 0 HG23 THR A 924 12.755 2.883 2.174 1.00 0.00 H new ATOM 680 N LEU A 925 9.723 4.499 -0.403 1.00 0.00 N ATOM 681 CA LEU A 925 9.074 3.813 -1.514 1.00 0.00 C ATOM 682 C LEU A 925 9.376 4.510 -2.837 1.00 0.00 C ATOM 683 O LEU A 925 9.562 3.858 -3.865 1.00 0.00 O ATOM 684 CB LEU A 925 7.562 3.754 -1.290 1.00 0.00 C ATOM 685 CG LEU A 925 7.106 3.258 0.083 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.613 3.482 0.263 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.451 1.786 0.260 1.00 0.00 C ATOM 0 H LEU A 925 9.109 5.116 0.128 1.00 0.00 H new ATOM 0 HA LEU A 925 9.468 2.798 -1.561 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.152 4.752 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.127 3.106 -2.051 1.00 0.00 H new ATOM 0 HG LEU A 925 7.633 3.829 0.847 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.307 3.123 1.246 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.392 4.546 0.181 1.00 0.00 H new ATOM 0 HD13 LEU A 925 5.068 2.938 -0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 925 7.119 1.450 1.242 1.00 0.00 H new ATOM 0 HD22 LEU A 925 6.952 1.200 -0.512 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.530 1.652 0.176 1.00 0.00 H new ATOM 699 N ARG A 926 9.425 5.837 -2.803 1.00 0.00 N ATOM 700 CA ARG A 926 9.706 6.623 -3.998 1.00 0.00 C ATOM 701 C ARG A 926 10.939 6.090 -4.721 1.00 0.00 C ATOM 702 O ARG A 926 10.927 5.902 -5.938 1.00 0.00 O ATOM 703 CB ARG A 926 9.911 8.094 -3.631 1.00 0.00 C ATOM 704 CG ARG A 926 8.622 8.898 -3.593 1.00 0.00 C ATOM 705 CD ARG A 926 8.837 10.265 -2.963 1.00 0.00 C ATOM 706 NE ARG A 926 9.553 11.172 -3.856 1.00 0.00 N ATOM 707 CZ ARG A 926 9.003 11.737 -4.926 1.00 0.00 C ATOM 708 NH1 ARG A 926 7.738 11.489 -5.233 1.00 0.00 N ATOM 709 NH2 ARG A 926 9.720 12.552 -5.689 1.00 0.00 N ATOM 0 H ARG A 926 9.274 6.391 -1.960 1.00 0.00 H new ATOM 0 HA ARG A 926 8.850 6.540 -4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 926 10.394 8.152 -2.656 1.00 0.00 H new ATOM 0 HB3 ARG A 926 10.591 8.548 -4.352 1.00 0.00 H new ATOM 0 HG2 ARG A 926 8.237 9.019 -4.606 1.00 0.00 H new ATOM 0 HG3 ARG A 926 7.867 8.351 -3.029 1.00 0.00 H new ATOM 0 HD2 ARG A 926 7.872 10.700 -2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 926 9.397 10.152 -2.035 1.00 0.00 H new ATOM 0 HE ARG A 926 10.529 11.384 -3.647 1.00 0.00 H new ATOM 0 HH11 ARG A 926 7.184 10.863 -4.648 1.00 0.00 H new ATOM 0 HH12 ARG A 926 7.318 11.924 -6.055 1.00 0.00 H new ATOM 0 HH21 ARG A 926 10.694 12.745 -5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 926 9.297 12.985 -6.510 1.00 0.00 H new ATOM 723 N LYS A 927 12.004 5.849 -3.964 1.00 0.00 N ATOM 724 CA LYS A 927 13.247 5.338 -4.531 1.00 0.00 C ATOM 725 C LYS A 927 13.052 3.933 -5.090 1.00 0.00 C ATOM 726 O LYS A 927 13.716 3.538 -6.049 1.00 0.00 O ATOM 727 CB LYS A 927 14.349 5.327 -3.469 1.00 0.00 C ATOM 728 CG LYS A 927 13.988 4.534 -2.225 1.00 0.00 C ATOM 729 CD LYS A 927 15.160 4.441 -1.263 1.00 0.00 C ATOM 730 CE LYS A 927 15.273 5.688 -0.399 1.00 0.00 C ATOM 731 NZ LYS A 927 16.683 5.967 -0.011 1.00 0.00 N ATOM 0 H LYS A 927 12.032 5.999 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 927 13.543 5.997 -5.347 1.00 0.00 H new ATOM 0 HB2 LYS A 927 15.257 4.910 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 927 14.575 6.354 -3.182 1.00 0.00 H new ATOM 0 HG2 LYS A 927 13.142 5.006 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 927 13.671 3.531 -2.511 1.00 0.00 H new ATOM 0 HD2 LYS A 927 15.040 3.565 -0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 927 16.083 4.302 -1.825 1.00 0.00 H new ATOM 0 HE2 LYS A 927 14.869 6.543 -0.941 1.00 0.00 H new ATOM 0 HE3 LYS A 927 14.667 5.564 0.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 16.718 6.824 0.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 17.061 5.162 0.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 17.257 6.110 -0.867 1.00 0.00 H new ATOM 745 N ASP A 928 12.136 3.182 -4.487 1.00 0.00 N ATOM 746 CA ASP A 928 11.852 1.821 -4.926 1.00 0.00 C ATOM 747 C ASP A 928 11.424 1.802 -6.390 1.00 0.00 C ATOM 748 O ASP A 928 10.990 2.818 -6.935 1.00 0.00 O ATOM 749 CB ASP A 928 10.761 1.198 -4.055 1.00 0.00 C ATOM 750 CG ASP A 928 10.596 -0.288 -4.307 1.00 0.00 C ATOM 751 OD1 ASP A 928 11.512 -1.056 -3.945 1.00 0.00 O ATOM 752 OD2 ASP A 928 9.551 -0.682 -4.865 1.00 0.00 O ATOM 0 H ASP A 928 11.577 3.494 -3.692 1.00 0.00 H new ATOM 0 HA ASP A 928 12.765 1.234 -4.824 1.00 0.00 H new ATOM 0 HB2 ASP A 928 11.002 1.361 -3.004 1.00 0.00 H new ATOM 0 HB3 ASP A 928 9.814 1.703 -4.247 1.00 0.00 H new ATOM 757 N HIS A 929 11.549 0.639 -7.023 1.00 0.00 N ATOM 758 CA HIS A 929 11.175 0.488 -8.425 1.00 0.00 C ATOM 759 C HIS A 929 9.665 0.331 -8.570 1.00 0.00 C ATOM 760 O HIS A 929 9.011 1.124 -9.248 1.00 0.00 O ATOM 761 CB HIS A 929 11.886 -0.720 -9.036 1.00 0.00 C ATOM 762 CG HIS A 929 11.573 -0.929 -10.486 1.00 0.00 C ATOM 763 ND1 HIS A 929 12.265 -0.307 -11.503 1.00 0.00 N ATOM 764 CD2 HIS A 929 10.635 -1.699 -11.087 1.00 0.00 C ATOM 765 CE1 HIS A 929 11.766 -0.683 -12.667 1.00 0.00 C ATOM 766 NE2 HIS A 929 10.776 -1.528 -12.442 1.00 0.00 N ATOM 0 H HIS A 929 11.906 -0.211 -6.588 1.00 0.00 H new ATOM 0 HA HIS A 929 11.482 1.389 -8.957 1.00 0.00 H new ATOM 0 HB2 HIS A 929 12.963 -0.595 -8.920 1.00 0.00 H new ATOM 0 HB3 HIS A 929 11.607 -1.615 -8.480 1.00 0.00 H new ATOM 0 HD2 HIS A 929 9.911 -2.330 -10.593 1.00 0.00 H new ATOM 0 HE1 HIS A 929 12.109 -0.355 -13.637 1.00 0.00 H new ATOM 0 HE2 HIS A 929 10.208 -1.980 -13.159 1.00 0.00 H new ATOM 774 N ARG A 930 9.117 -0.697 -7.931 1.00 0.00 N ATOM 775 CA ARG A 930 7.684 -0.959 -7.991 1.00 0.00 C ATOM 776 C ARG A 930 6.889 0.337 -7.863 1.00 0.00 C ATOM 777 O ARG A 930 5.909 0.548 -8.578 1.00 0.00 O ATOM 778 CB ARG A 930 7.275 -1.932 -6.884 1.00 0.00 C ATOM 779 CG ARG A 930 7.943 -3.293 -6.991 1.00 0.00 C ATOM 780 CD ARG A 930 8.129 -3.932 -5.624 1.00 0.00 C ATOM 781 NE ARG A 930 8.390 -5.366 -5.720 1.00 0.00 N ATOM 782 CZ ARG A 930 8.870 -6.095 -4.719 1.00 0.00 C ATOM 783 NH1 ARG A 930 9.139 -5.527 -3.551 1.00 0.00 N ATOM 784 NH2 ARG A 930 9.081 -7.394 -4.884 1.00 0.00 N ATOM 0 H ARG A 930 9.644 -1.363 -7.365 1.00 0.00 H new ATOM 0 HA ARG A 930 7.462 -1.407 -8.959 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.519 -1.492 -5.917 1.00 0.00 H new ATOM 0 HB3 ARG A 930 6.193 -2.065 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 930 7.340 -3.947 -7.620 1.00 0.00 H new ATOM 0 HG3 ARG A 930 8.912 -3.186 -7.479 1.00 0.00 H new ATOM 0 HD2 ARG A 930 8.957 -3.447 -5.107 1.00 0.00 H new ATOM 0 HD3 ARG A 930 7.236 -3.766 -5.022 1.00 0.00 H new ATOM 0 HE ARG A 930 8.193 -5.833 -6.605 1.00 0.00 H new ATOM 0 HH11 ARG A 930 8.977 -4.528 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 930 9.508 -6.089 -2.784 1.00 0.00 H new ATOM 0 HH21 ARG A 930 8.875 -7.834 -5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 930 9.450 -7.953 -4.114 1.00 0.00 H new ATOM 798 N TRP A 931 7.317 1.200 -6.949 1.00 0.00 N ATOM 799 CA TRP A 931 6.645 2.475 -6.727 1.00 0.00 C ATOM 800 C TRP A 931 6.093 3.034 -8.034 1.00 0.00 C ATOM 801 O TRP A 931 4.974 3.542 -8.078 1.00 0.00 O ATOM 802 CB TRP A 931 7.608 3.480 -6.095 1.00 0.00 C ATOM 803 CG TRP A 931 7.130 4.897 -6.181 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.189 5.717 -7.272 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.521 5.662 -5.135 1.00 0.00 C ATOM 806 NE1 TRP A 931 6.653 6.945 -6.966 1.00 0.00 N ATOM 807 CE2 TRP A 931 6.236 6.937 -5.662 1.00 0.00 C ATOM 808 CE3 TRP A 931 6.187 5.393 -3.805 1.00 0.00 C ATOM 809 CZ2 TRP A 931 5.634 7.938 -4.904 1.00 0.00 C ATOM 810 CZ3 TRP A 931 5.591 6.388 -3.053 1.00 0.00 C ATOM 811 CH2 TRP A 931 5.318 7.647 -3.604 1.00 0.00 C ATOM 0 H TRP A 931 8.127 1.040 -6.349 1.00 0.00 H new ATOM 0 HA TRP A 931 5.812 2.304 -6.046 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.759 3.218 -5.048 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.578 3.401 -6.586 1.00 0.00 H new ATOM 0 HD1 TRP A 931 7.597 5.441 -8.233 1.00 0.00 H new ATOM 0 HE1 TRP A 931 6.578 7.735 -7.607 1.00 0.00 H new ATOM 0 HE3 TRP A 931 6.391 4.425 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 5.424 8.909 -5.327 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 5.331 6.192 -2.023 1.00 0.00 H new ATOM 0 HH2 TRP A 931 4.849 8.403 -2.991 1.00 0.00 H new ATOM 822 N GLU A 932 6.887 2.936 -9.096 1.00 0.00 N ATOM 823 CA GLU A 932 6.476 3.434 -10.404 1.00 0.00 C ATOM 824 C GLU A 932 4.993 3.171 -10.645 1.00 0.00 C ATOM 825 O GLU A 932 4.220 4.095 -10.896 1.00 0.00 O ATOM 826 CB GLU A 932 7.308 2.777 -11.508 1.00 0.00 C ATOM 827 CG GLU A 932 8.618 3.493 -11.791 1.00 0.00 C ATOM 828 CD GLU A 932 9.644 3.288 -10.694 1.00 0.00 C ATOM 829 OE1 GLU A 932 9.467 3.866 -9.601 1.00 0.00 O ATOM 830 OE2 GLU A 932 10.623 2.549 -10.927 1.00 0.00 O ATOM 0 H GLU A 932 7.817 2.517 -9.076 1.00 0.00 H new ATOM 0 HA GLU A 932 6.644 4.511 -10.424 1.00 0.00 H new ATOM 0 HB2 GLU A 932 7.521 1.746 -11.226 1.00 0.00 H new ATOM 0 HB3 GLU A 932 6.718 2.742 -12.424 1.00 0.00 H new ATOM 0 HG2 GLU A 932 9.026 3.135 -12.736 1.00 0.00 H new ATOM 0 HG3 GLU A 932 8.427 4.559 -11.909 1.00 0.00 H new ATOM 837 N SER A 933 4.602 1.902 -10.567 1.00 0.00 N ATOM 838 CA SER A 933 3.213 1.516 -10.781 1.00 0.00 C ATOM 839 C SER A 933 2.296 2.203 -9.773 1.00 0.00 C ATOM 840 O SER A 933 1.230 2.704 -10.127 1.00 0.00 O ATOM 841 CB SER A 933 3.061 -0.003 -10.673 1.00 0.00 C ATOM 842 OG SER A 933 1.803 -0.426 -11.170 1.00 0.00 O ATOM 0 H SER A 933 5.228 1.125 -10.357 1.00 0.00 H new ATOM 0 HA SER A 933 2.924 1.833 -11.783 1.00 0.00 H new ATOM 0 HB2 SER A 933 3.859 -0.492 -11.231 1.00 0.00 H new ATOM 0 HB3 SER A 933 3.166 -0.309 -9.632 1.00 0.00 H new ATOM 0 HG SER A 933 1.731 -1.400 -11.091 1.00 0.00 H new ATOM 848 N GLY A 934 2.721 2.221 -8.513 1.00 0.00 N ATOM 849 CA GLY A 934 1.928 2.848 -7.472 1.00 0.00 C ATOM 850 C GLY A 934 1.544 4.274 -7.815 1.00 0.00 C ATOM 851 O GLY A 934 0.663 4.856 -7.182 1.00 0.00 O ATOM 0 H GLY A 934 3.600 1.813 -8.195 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.024 2.262 -7.305 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.490 2.841 -6.538 1.00 0.00 H new ATOM 855 N SER A 935 2.208 4.839 -8.819 1.00 0.00 N ATOM 856 CA SER A 935 1.935 6.207 -9.241 1.00 0.00 C ATOM 857 C SER A 935 0.448 6.402 -9.524 1.00 0.00 C ATOM 858 O SER A 935 -0.127 7.442 -9.199 1.00 0.00 O ATOM 859 CB SER A 935 2.752 6.551 -10.488 1.00 0.00 C ATOM 860 OG SER A 935 2.305 5.812 -11.611 1.00 0.00 O ATOM 0 H SER A 935 2.938 4.370 -9.355 1.00 0.00 H new ATOM 0 HA SER A 935 2.224 6.876 -8.430 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.672 7.618 -10.696 1.00 0.00 H new ATOM 0 HB3 SER A 935 3.806 6.340 -10.306 1.00 0.00 H new ATOM 0 HG SER A 935 2.839 4.995 -11.698 1.00 0.00 H new ATOM 866 N LEU A 936 -0.169 5.395 -10.132 1.00 0.00 N ATOM 867 CA LEU A 936 -1.589 5.453 -10.460 1.00 0.00 C ATOM 868 C LEU A 936 -2.383 6.099 -9.329 1.00 0.00 C ATOM 869 O LEU A 936 -3.276 6.913 -9.569 1.00 0.00 O ATOM 870 CB LEU A 936 -2.126 4.048 -10.738 1.00 0.00 C ATOM 871 CG LEU A 936 -1.486 3.304 -11.911 1.00 0.00 C ATOM 872 CD1 LEU A 936 -1.730 1.808 -11.791 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.023 3.830 -13.234 1.00 0.00 C ATOM 0 H LEU A 936 0.292 4.528 -10.408 1.00 0.00 H new ATOM 0 HA LEU A 936 -1.705 6.063 -11.355 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.996 3.447 -9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.198 4.120 -10.921 1.00 0.00 H new ATOM 0 HG LEU A 936 -0.411 3.479 -11.884 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -1.267 1.295 -12.634 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.295 1.442 -10.861 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -2.802 1.613 -11.792 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -1.556 3.289 -14.057 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -3.103 3.686 -13.271 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -1.795 4.892 -13.323 1.00 0.00 H new ATOM 885 N LEU A 937 -2.051 5.733 -8.096 1.00 0.00 N ATOM 886 CA LEU A 937 -2.731 6.278 -6.927 1.00 0.00 C ATOM 887 C LEU A 937 -2.409 7.759 -6.751 1.00 0.00 C ATOM 888 O LEU A 937 -1.593 8.317 -7.483 1.00 0.00 O ATOM 889 CB LEU A 937 -2.328 5.504 -5.670 1.00 0.00 C ATOM 890 CG LEU A 937 -2.345 3.980 -5.787 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.495 3.351 -4.693 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.772 3.456 -5.724 1.00 0.00 C ATOM 0 H LEU A 937 -1.315 5.061 -7.880 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.805 6.174 -7.081 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -1.324 5.815 -5.382 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.996 5.794 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.920 3.704 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.519 2.266 -4.792 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.467 3.701 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -1.889 3.635 -3.717 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.765 2.369 -5.809 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.223 3.743 -4.774 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.352 3.880 -6.544 1.00 0.00 H new ATOM 904 N GLU A 938 -3.055 8.388 -5.773 1.00 0.00 N ATOM 905 CA GLU A 938 -2.836 9.803 -5.501 1.00 0.00 C ATOM 906 C GLU A 938 -2.347 10.013 -4.071 1.00 0.00 C ATOM 907 O GLU A 938 -2.708 9.262 -3.164 1.00 0.00 O ATOM 908 CB GLU A 938 -4.124 10.595 -5.733 1.00 0.00 C ATOM 909 CG GLU A 938 -5.114 10.496 -4.585 1.00 0.00 C ATOM 910 CD GLU A 938 -6.404 11.246 -4.860 1.00 0.00 C ATOM 911 OE1 GLU A 938 -6.399 12.490 -4.760 1.00 0.00 O ATOM 912 OE2 GLU A 938 -7.416 10.587 -5.175 1.00 0.00 O ATOM 0 H GLU A 938 -3.733 7.940 -5.157 1.00 0.00 H new ATOM 0 HA GLU A 938 -2.068 10.164 -6.186 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.872 11.643 -5.895 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.601 10.237 -6.645 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.341 9.447 -4.396 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.655 10.891 -3.679 1.00 0.00 H new ATOM 919 N ARG A 939 -1.524 11.038 -3.877 1.00 0.00 N ATOM 920 CA ARG A 939 -0.984 11.346 -2.558 1.00 0.00 C ATOM 921 C ARG A 939 -2.007 11.041 -1.467 1.00 0.00 C ATOM 922 O ARG A 939 -1.675 10.451 -0.440 1.00 0.00 O ATOM 923 CB ARG A 939 -0.567 12.816 -2.485 1.00 0.00 C ATOM 924 CG ARG A 939 -1.665 13.782 -2.899 1.00 0.00 C ATOM 925 CD ARG A 939 -1.089 15.069 -3.468 1.00 0.00 C ATOM 926 NE ARG A 939 -1.978 16.208 -3.255 1.00 0.00 N ATOM 927 CZ ARG A 939 -1.691 17.447 -3.639 1.00 0.00 C ATOM 928 NH1 ARG A 939 -0.544 17.705 -4.252 1.00 0.00 N ATOM 929 NH2 ARG A 939 -2.551 18.430 -3.409 1.00 0.00 N ATOM 0 H ARG A 939 -1.216 11.670 -4.617 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.108 10.718 -2.396 1.00 0.00 H new ATOM 0 HB2 ARG A 939 -0.257 13.047 -1.466 1.00 0.00 H new ATOM 0 HB3 ARG A 939 0.302 12.971 -3.125 1.00 0.00 H new ATOM 0 HG2 ARG A 939 -2.306 13.309 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 939 -2.292 14.012 -2.038 1.00 0.00 H new ATOM 0 HD2 ARG A 939 -0.124 15.271 -3.003 1.00 0.00 H new ATOM 0 HD3 ARG A 939 -0.909 14.945 -4.536 1.00 0.00 H new ATOM 0 HE ARG A 939 -2.868 16.043 -2.785 1.00 0.00 H new ATOM 0 HH11 ARG A 939 0.120 16.951 -4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 939 -0.326 18.657 -4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 939 -3.434 18.235 -2.937 1.00 0.00 H new ATOM 0 HH22 ARG A 939 -2.330 19.381 -3.704 1.00 0.00 H new ATOM 943 N GLU A 940 -3.251 11.450 -1.699 1.00 0.00 N ATOM 944 CA GLU A 940 -4.321 11.221 -0.735 1.00 0.00 C ATOM 945 C GLU A 940 -4.537 9.728 -0.506 1.00 0.00 C ATOM 946 O GLU A 940 -4.385 9.233 0.611 1.00 0.00 O ATOM 947 CB GLU A 940 -5.621 11.867 -1.220 1.00 0.00 C ATOM 948 CG GLU A 940 -5.545 13.381 -1.325 1.00 0.00 C ATOM 949 CD GLU A 940 -5.943 14.076 -0.037 1.00 0.00 C ATOM 950 OE1 GLU A 940 -5.331 13.780 1.011 1.00 0.00 O ATOM 951 OE2 GLU A 940 -6.865 14.917 -0.078 1.00 0.00 O ATOM 0 H GLU A 940 -3.542 11.941 -2.545 1.00 0.00 H new ATOM 0 HA GLU A 940 -4.027 11.677 0.210 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -5.879 11.456 -2.196 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -6.427 11.598 -0.537 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -4.529 13.672 -1.592 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -6.196 13.719 -2.132 1.00 0.00 H new ATOM 958 N GLU A 941 -4.893 9.017 -1.571 1.00 0.00 N ATOM 959 CA GLU A 941 -5.131 7.581 -1.486 1.00 0.00 C ATOM 960 C GLU A 941 -3.951 6.872 -0.828 1.00 0.00 C ATOM 961 O GLU A 941 -4.129 6.035 0.057 1.00 0.00 O ATOM 962 CB GLU A 941 -5.378 6.999 -2.879 1.00 0.00 C ATOM 963 CG GLU A 941 -6.056 5.639 -2.859 1.00 0.00 C ATOM 964 CD GLU A 941 -7.545 5.733 -2.585 1.00 0.00 C ATOM 965 OE1 GLU A 941 -7.918 6.078 -1.444 1.00 0.00 O ATOM 966 OE2 GLU A 941 -8.336 5.462 -3.512 1.00 0.00 O ATOM 0 H GLU A 941 -5.023 9.412 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 941 -6.017 7.421 -0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -5.994 7.694 -3.450 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -4.425 6.913 -3.402 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -5.897 5.144 -3.817 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -5.589 5.015 -2.097 1.00 0.00 H new ATOM 973 N LYS A 942 -2.744 7.212 -1.267 1.00 0.00 N ATOM 974 CA LYS A 942 -1.533 6.610 -0.723 1.00 0.00 C ATOM 975 C LYS A 942 -1.465 6.797 0.790 1.00 0.00 C ATOM 976 O LYS A 942 -1.450 5.825 1.544 1.00 0.00 O ATOM 977 CB LYS A 942 -0.294 7.223 -1.379 1.00 0.00 C ATOM 978 CG LYS A 942 -0.303 7.136 -2.896 1.00 0.00 C ATOM 979 CD LYS A 942 1.010 7.617 -3.490 1.00 0.00 C ATOM 980 CE LYS A 942 2.057 6.514 -3.493 1.00 0.00 C ATOM 981 NZ LYS A 942 1.980 5.680 -4.725 1.00 0.00 N ATOM 0 H LYS A 942 -2.578 7.902 -1.999 1.00 0.00 H new ATOM 0 HA LYS A 942 -1.560 5.542 -0.939 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -0.217 8.269 -1.084 1.00 0.00 H new ATOM 0 HB3 LYS A 942 0.595 6.719 -1.000 1.00 0.00 H new ATOM 0 HG2 LYS A 942 -0.486 6.106 -3.201 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -1.123 7.735 -3.291 1.00 0.00 H new ATOM 0 HD2 LYS A 942 0.844 7.965 -4.509 1.00 0.00 H new ATOM 0 HD3 LYS A 942 1.379 8.469 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 942 3.050 6.956 -3.415 1.00 0.00 H new ATOM 0 HE3 LYS A 942 1.920 5.881 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 1.992 4.673 -4.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 1.100 5.895 -5.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 2.794 5.889 -5.337 1.00 0.00 H new ATOM 995 N GLU A 943 -1.425 8.053 1.225 1.00 0.00 N ATOM 996 CA GLU A 943 -1.360 8.366 2.648 1.00 0.00 C ATOM 997 C GLU A 943 -2.313 7.480 3.444 1.00 0.00 C ATOM 998 O GLU A 943 -1.938 6.906 4.467 1.00 0.00 O ATOM 999 CB GLU A 943 -1.698 9.839 2.885 1.00 0.00 C ATOM 1000 CG GLU A 943 -1.288 10.344 4.258 1.00 0.00 C ATOM 1001 CD GLU A 943 -1.980 11.640 4.633 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -2.435 12.357 3.717 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.067 11.937 5.843 1.00 0.00 O ATOM 0 H GLU A 943 -1.436 8.869 0.613 1.00 0.00 H new ATOM 0 HA GLU A 943 -0.343 8.175 2.990 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -1.206 10.443 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.771 9.981 2.760 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -1.519 9.584 5.004 1.00 0.00 H new ATOM 0 HG3 GLU A 943 -0.209 10.494 4.279 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.549 7.373 2.968 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.558 6.558 3.633 1.00 0.00 C ATOM 1012 C LYS A 944 -4.106 5.104 3.729 1.00 0.00 C ATOM 1013 O LYS A 944 -4.152 4.498 4.801 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.888 6.641 2.881 1.00 0.00 C ATOM 1015 CG LYS A 944 -7.059 6.049 3.647 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.198 4.558 3.388 1.00 0.00 C ATOM 1017 CE LYS A 944 -7.829 4.284 2.031 1.00 0.00 C ATOM 1018 NZ LYS A 944 -9.297 4.529 2.042 1.00 0.00 N ATOM 0 H LYS A 944 -3.876 7.841 2.123 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.694 6.946 4.643 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -6.103 7.685 2.655 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -5.789 6.122 1.927 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -6.922 6.223 4.714 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -7.979 6.557 3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -6.217 4.086 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -7.807 4.107 4.171 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -7.361 4.918 1.278 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -7.635 3.251 1.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -9.710 4.204 1.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -9.730 4.008 2.831 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -9.478 5.547 2.158 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.669 4.550 2.604 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.206 3.167 2.561 1.00 0.00 C ATOM 1034 C LEU A 945 -2.157 2.910 3.638 1.00 0.00 C ATOM 1035 O LEU A 945 -2.344 2.065 4.514 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.628 2.844 1.183 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.645 2.537 0.083 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -2.981 2.576 -1.285 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.297 1.183 0.323 1.00 0.00 C ATOM 0 H LEU A 945 -3.625 5.037 1.709 1.00 0.00 H new ATOM 0 HA LEU A 945 -4.061 2.518 2.750 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -2.018 3.688 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -1.961 1.988 1.283 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.421 3.302 0.109 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -3.720 2.355 -2.055 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -2.562 3.567 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.184 1.834 -1.324 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.018 0.981 -0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.532 0.406 0.325 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.808 1.191 1.286 1.00 0.00 H new ATOM 1051 N PHE A 946 -1.053 3.647 3.569 1.00 0.00 N ATOM 1052 CA PHE A 946 0.026 3.500 4.539 1.00 0.00 C ATOM 1053 C PHE A 946 -0.514 3.546 5.965 1.00 0.00 C ATOM 1054 O PHE A 946 -0.351 2.599 6.733 1.00 0.00 O ATOM 1055 CB PHE A 946 1.071 4.600 4.342 1.00 0.00 C ATOM 1056 CG PHE A 946 1.989 4.773 5.518 1.00 0.00 C ATOM 1057 CD1 PHE A 946 3.149 4.022 5.624 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.693 5.686 6.517 1.00 0.00 C ATOM 1059 CE1 PHE A 946 3.996 4.178 6.705 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.537 5.847 7.599 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.689 5.091 7.694 1.00 0.00 C ATOM 0 H PHE A 946 -0.882 4.352 2.852 1.00 0.00 H new ATOM 0 HA PHE A 946 0.495 2.529 4.378 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.666 4.371 3.458 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.561 5.544 4.147 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.394 3.307 4.853 1.00 0.00 H new ATOM 0 HD2 PHE A 946 0.793 6.278 6.449 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.897 3.586 6.776 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.296 6.564 8.370 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.348 5.214 8.540 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.158 4.656 6.312 1.00 0.00 N ATOM 1072 CA ASN A 947 -1.722 4.827 7.646 1.00 0.00 C ATOM 1073 C ASN A 947 -2.501 3.586 8.071 1.00 0.00 C ATOM 1074 O ASN A 947 -2.371 3.117 9.201 1.00 0.00 O ATOM 1075 CB ASN A 947 -2.636 6.053 7.682 1.00 0.00 C ATOM 1076 CG ASN A 947 -1.866 7.353 7.555 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -0.689 7.427 7.910 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -2.528 8.386 7.047 1.00 0.00 N ATOM 0 H ASN A 947 -1.302 5.450 5.688 1.00 0.00 H new ATOM 0 HA ASN A 947 -0.899 4.974 8.345 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.363 5.984 6.873 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.198 6.057 8.616 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -2.062 9.287 6.938 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -3.503 8.279 6.766 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.308 3.058 7.156 1.00 0.00 N ATOM 1086 CA GLU A 948 -4.107 1.871 7.437 1.00 0.00 C ATOM 1087 C GLU A 948 -3.215 0.686 7.793 1.00 0.00 C ATOM 1088 O GLU A 948 -3.408 0.036 8.821 1.00 0.00 O ATOM 1089 CB GLU A 948 -4.981 1.521 6.230 1.00 0.00 C ATOM 1090 CG GLU A 948 -6.321 2.238 6.220 1.00 0.00 C ATOM 1091 CD GLU A 948 -7.404 1.441 5.520 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -7.399 0.198 5.640 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -8.257 2.061 4.851 1.00 0.00 O ATOM 0 H GLU A 948 -3.426 3.433 6.215 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.748 2.090 8.291 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.440 1.768 5.317 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.154 0.445 6.217 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -6.629 2.439 7.246 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.209 3.203 5.726 1.00 0.00 H new ATOM 1100 N HIS A 949 -2.237 0.410 6.936 1.00 0.00 N ATOM 1101 CA HIS A 949 -1.314 -0.696 7.160 1.00 0.00 C ATOM 1102 C HIS A 949 -0.673 -0.599 8.541 1.00 0.00 C ATOM 1103 O HIS A 949 -0.733 -1.541 9.332 1.00 0.00 O ATOM 1104 CB HIS A 949 -0.229 -0.710 6.082 1.00 0.00 C ATOM 1105 CG HIS A 949 0.883 -1.673 6.363 1.00 0.00 C ATOM 1106 ND1 HIS A 949 0.721 -3.042 6.323 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.179 -1.458 6.688 1.00 0.00 C ATOM 1108 CE1 HIS A 949 1.869 -3.627 6.613 1.00 0.00 C ATOM 1109 NE2 HIS A 949 2.771 -2.688 6.839 1.00 0.00 N ATOM 0 H HIS A 949 -2.064 0.937 6.080 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.881 -1.625 7.107 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.684 -0.962 5.124 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.186 0.293 5.983 1.00 0.00 H new ATOM 0 HD2 HIS A 949 2.659 -0.498 6.807 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.041 -4.692 6.658 1.00 0.00 H new ATOM 0 HE2 HIS A 949 3.747 -2.850 7.085 1.00 0.00 H new ATOM 1117 N ILE A 950 -0.060 0.546 8.824 1.00 0.00 N ATOM 1118 CA ILE A 950 0.591 0.766 10.110 1.00 0.00 C ATOM 1119 C ILE A 950 -0.375 0.520 11.264 1.00 0.00 C ATOM 1120 O ILE A 950 -0.102 -0.287 12.152 1.00 0.00 O ATOM 1121 CB ILE A 950 1.151 2.196 10.220 1.00 0.00 C ATOM 1122 CG1 ILE A 950 2.121 2.477 9.071 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.840 2.393 11.562 1.00 0.00 C ATOM 1124 CD1 ILE A 950 3.416 1.702 9.170 1.00 0.00 C ATOM 0 H ILE A 950 -0.001 1.335 8.180 1.00 0.00 H new ATOM 0 HA ILE A 950 1.416 0.056 10.172 1.00 0.00 H new ATOM 0 HB ILE A 950 0.323 2.901 10.152 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.633 2.234 8.127 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.346 3.543 9.049 1.00 0.00 H new ATOM 0 HG21 ILE A 950 2.231 3.409 11.625 1.00 0.00 H new ATOM 0 HG22 ILE A 950 1.123 2.230 12.367 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.661 1.682 11.657 1.00 0.00 H new ATOM 0 HD11 ILE A 950 4.055 1.951 8.323 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.926 1.962 10.098 1.00 0.00 H new ATOM 0 HD13 ILE A 950 3.202 0.633 9.161 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.505 1.220 11.243 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.511 1.076 12.288 1.00 0.00 C ATOM 1138 C GLU A 951 -2.886 -0.390 12.484 1.00 0.00 C ATOM 1139 O GLU A 951 -3.085 -0.846 13.610 1.00 0.00 O ATOM 1140 CB GLU A 951 -3.759 1.890 11.941 1.00 0.00 C ATOM 1141 CG GLU A 951 -3.673 3.347 12.364 1.00 0.00 C ATOM 1142 CD GLU A 951 -3.652 3.516 13.871 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -2.613 3.203 14.489 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -4.675 3.961 14.432 1.00 0.00 O ATOM 0 H GLU A 951 -1.746 1.892 10.514 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.087 1.453 13.219 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -3.926 1.842 10.865 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -4.625 1.432 12.419 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -2.773 3.792 11.940 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -4.523 3.892 11.953 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.981 -1.124 11.380 1.00 0.00 N ATOM 1152 CA ALA A 952 -3.330 -2.538 11.430 1.00 0.00 C ATOM 1153 C ALA A 952 -2.281 -3.336 12.197 1.00 0.00 C ATOM 1154 O ALA A 952 -2.604 -4.062 13.138 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.492 -3.092 10.022 1.00 0.00 C ATOM 0 H ALA A 952 -2.821 -0.762 10.440 1.00 0.00 H new ATOM 0 HA ALA A 952 -4.279 -2.634 11.958 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.753 -4.149 10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -4.283 -2.548 9.506 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.556 -2.976 9.475 1.00 0.00 H new ATOM 1161 N LEU A 953 -1.025 -3.198 11.788 1.00 0.00 N ATOM 1162 CA LEU A 953 0.073 -3.906 12.437 1.00 0.00 C ATOM 1163 C LEU A 953 -0.016 -3.778 13.954 1.00 0.00 C ATOM 1164 O LEU A 953 -0.200 -4.768 14.663 1.00 0.00 O ATOM 1165 CB LEU A 953 1.417 -3.365 11.946 1.00 0.00 C ATOM 1166 CG LEU A 953 1.726 -3.579 10.464 1.00 0.00 C ATOM 1167 CD1 LEU A 953 2.809 -2.617 10.000 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.144 -5.020 10.209 1.00 0.00 C ATOM 0 H LEU A 953 -0.741 -2.602 11.010 1.00 0.00 H new ATOM 0 HA LEU A 953 -0.004 -4.961 12.175 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.453 -2.295 12.153 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.209 -3.830 12.533 1.00 0.00 H new ATOM 0 HG LEU A 953 0.821 -3.378 9.891 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.016 -2.784 8.943 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.471 -1.591 10.146 1.00 0.00 H new ATOM 0 HD13 LEU A 953 3.717 -2.786 10.578 1.00 0.00 H new ATOM 0 HD21 LEU A 953 2.360 -5.154 9.149 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.036 -5.249 10.793 1.00 0.00 H new ATOM 0 HD23 LEU A 953 1.336 -5.690 10.502 1.00 0.00 H new ATOM 1180 N THR A 954 0.112 -2.550 14.447 1.00 0.00 N ATOM 1181 CA THR A 954 0.045 -2.291 15.880 1.00 0.00 C ATOM 1182 C THR A 954 -1.127 -3.028 16.517 1.00 0.00 C ATOM 1183 O THR A 954 -0.955 -3.775 17.481 1.00 0.00 O ATOM 1184 CB THR A 954 -0.090 -0.784 16.173 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.109 -0.214 15.344 1.00 0.00 O ATOM 1186 CG2 THR A 954 1.229 -0.066 15.931 1.00 0.00 C ATOM 0 H THR A 954 0.263 -1.719 13.875 1.00 0.00 H new ATOM 0 HA THR A 954 0.977 -2.655 16.311 1.00 0.00 H new ATOM 0 HB THR A 954 -0.364 -0.662 17.221 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.671 -0.929 14.979 1.00 0.00 H new ATOM 0 HG21 THR A 954 1.109 0.996 16.144 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.996 -0.483 16.584 1.00 0.00 H new ATOM 0 HG23 THR A 954 1.528 -0.196 14.891 1.00 0.00 H new