USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=14 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= -0.441 K(o=-0.44,f=-3.5!) USER MOD Single : A 902 ASN : amide:sc= -0.772 K(o=-0.77,f=-1.9!) USER MOD Single : A 904 LYS NZ :NH3+ -158:sc= -0.392 (180deg=-1.26) USER MOD Single : A 908 SER OG : rot 180:sc= 0 USER MOD Single : A 910 MET CE :methyl -159:sc= -0.0211 (180deg=-0.535) USER MOD Single : A 913 SER OG : rot 180:sc= 0 USER MOD Single : A 914 SER OG : rot 180:sc= 0 USER MOD Single : A 917 SER OG : rot 180:sc= 0 USER MOD Single : A 919 SER OG : rot 180:sc= -0.184 USER MOD Single : A 921 THR OG1 : rot 143:sc= 1.42 USER MOD Single : A 924 THR OG1 : rot 89:sc= 1.29 USER MOD Single : A 927 LYS NZ :NH3+ 148:sc= -0.328 (180deg=-1.19!) USER MOD Single : A 929 HIS : no HD1:sc= 0 X(o=0,f=-0.012) USER MOD Single : A 933 SER OG : rot 180:sc= 0 USER MOD Single : A 935 SER OG : rot 92:sc= 0.518 USER MOD Single : A 942 LYS NZ :NH3+ -174:sc= 2.07 (180deg=1.93) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc= -0.0496 K(o=-0.05,f=-0.68) USER MOD Single : A 949 HIS : no HD1:sc= -1.34! C(o=-1.3!,f=-6.4!) USER MOD Single : A 954 THR OG1 : rot -21:sc= 0.392 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -6.325 -0.551 -11.987 1.00 0.00 N ATOM 213 CA ARG A 896 -6.026 0.108 -10.721 1.00 0.00 C ATOM 214 C ARG A 896 -5.829 -0.916 -9.608 1.00 0.00 C ATOM 215 O ARG A 896 -4.902 -0.805 -8.806 1.00 0.00 O ATOM 216 CB ARG A 896 -7.150 1.075 -10.347 1.00 0.00 C ATOM 217 CG ARG A 896 -6.991 1.689 -8.965 1.00 0.00 C ATOM 218 CD ARG A 896 -8.093 2.695 -8.672 1.00 0.00 C ATOM 219 NE ARG A 896 -9.385 2.046 -8.464 1.00 0.00 N ATOM 220 CZ ARG A 896 -10.508 2.709 -8.214 1.00 0.00 C ATOM 221 NH1 ARG A 896 -10.498 4.033 -8.141 1.00 0.00 N ATOM 222 NH2 ARG A 896 -11.645 2.048 -8.036 1.00 0.00 N ATOM 0 HA ARG A 896 -5.099 0.669 -10.842 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -7.192 1.874 -11.087 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -8.102 0.547 -10.393 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -7.006 0.901 -8.212 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -6.020 2.180 -8.893 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -7.830 3.272 -7.786 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -8.170 3.400 -9.500 1.00 0.00 H new ATOM 0 HE ARG A 896 -9.427 1.028 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -9.626 4.545 -8.277 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -11.362 4.540 -7.949 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -11.657 1.030 -8.091 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -12.507 2.558 -7.844 1.00 0.00 H new ATOM 236 N GLU A 897 -6.708 -1.913 -9.565 1.00 0.00 N ATOM 237 CA GLU A 897 -6.631 -2.955 -8.549 1.00 0.00 C ATOM 238 C GLU A 897 -5.190 -3.414 -8.348 1.00 0.00 C ATOM 239 O GLU A 897 -4.706 -3.496 -7.219 1.00 0.00 O ATOM 240 CB GLU A 897 -7.507 -4.147 -8.942 1.00 0.00 C ATOM 241 CG GLU A 897 -8.947 -4.026 -8.473 1.00 0.00 C ATOM 242 CD GLU A 897 -9.109 -4.344 -7.000 1.00 0.00 C ATOM 243 OE1 GLU A 897 -8.311 -5.148 -6.474 1.00 0.00 O ATOM 244 OE2 GLU A 897 -10.035 -3.788 -6.372 1.00 0.00 O ATOM 0 H GLU A 897 -7.481 -2.020 -10.222 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.996 -2.539 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.495 -4.254 -10.027 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -7.074 -5.057 -8.527 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -9.303 -3.014 -8.664 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.573 -4.700 -9.057 1.00 0.00 H new ATOM 251 N GLU A 898 -4.510 -3.711 -9.451 1.00 0.00 N ATOM 252 CA GLU A 898 -3.125 -4.163 -9.395 1.00 0.00 C ATOM 253 C GLU A 898 -2.274 -3.206 -8.565 1.00 0.00 C ATOM 254 O GLU A 898 -1.455 -3.633 -7.752 1.00 0.00 O ATOM 255 CB GLU A 898 -2.547 -4.282 -10.807 1.00 0.00 C ATOM 256 CG GLU A 898 -2.499 -2.963 -11.559 1.00 0.00 C ATOM 257 CD GLU A 898 -1.204 -2.208 -11.331 1.00 0.00 C ATOM 258 OE1 GLU A 898 -0.191 -2.855 -10.994 1.00 0.00 O ATOM 259 OE2 GLU A 898 -1.205 -0.969 -11.489 1.00 0.00 O ATOM 0 H GLU A 898 -4.895 -3.647 -10.393 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.108 -5.143 -8.919 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -1.539 -4.691 -10.744 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -3.145 -4.993 -11.376 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -2.622 -3.152 -12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -3.338 -2.341 -11.247 1.00 0.00 H new ATOM 266 N ALA A 899 -2.474 -1.909 -8.777 1.00 0.00 N ATOM 267 CA ALA A 899 -1.727 -0.892 -8.048 1.00 0.00 C ATOM 268 C ALA A 899 -2.014 -0.967 -6.552 1.00 0.00 C ATOM 269 O ALA A 899 -1.109 -0.824 -5.730 1.00 0.00 O ATOM 270 CB ALA A 899 -2.061 0.493 -8.583 1.00 0.00 C ATOM 0 H ALA A 899 -3.147 -1.538 -9.448 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.664 -1.080 -8.197 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.496 1.243 -8.029 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.799 0.548 -9.640 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -3.128 0.682 -8.464 1.00 0.00 H new ATOM 276 N ILE A 900 -3.277 -1.190 -6.207 1.00 0.00 N ATOM 277 CA ILE A 900 -3.682 -1.284 -4.810 1.00 0.00 C ATOM 278 C ILE A 900 -2.968 -2.433 -4.107 1.00 0.00 C ATOM 279 O ILE A 900 -2.309 -2.235 -3.087 1.00 0.00 O ATOM 280 CB ILE A 900 -5.204 -1.480 -4.677 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.944 -0.221 -5.133 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.569 -1.826 -3.241 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.434 -0.425 -5.303 1.00 0.00 C ATOM 0 H ILE A 900 -4.038 -1.309 -6.876 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.403 -0.343 -4.336 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.507 -2.308 -5.318 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.775 0.574 -4.406 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.521 0.117 -6.079 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.648 -1.962 -3.162 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.065 -2.748 -2.949 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.256 -1.017 -2.581 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.894 0.508 -5.628 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.612 -1.197 -6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.870 -0.733 -4.353 1.00 0.00 H new ATOM 295 N GLN A 901 -3.104 -3.634 -4.661 1.00 0.00 N ATOM 296 CA GLN A 901 -2.471 -4.815 -4.087 1.00 0.00 C ATOM 297 C GLN A 901 -0.952 -4.682 -4.106 1.00 0.00 C ATOM 298 O GLN A 901 -0.275 -5.062 -3.152 1.00 0.00 O ATOM 299 CB GLN A 901 -2.895 -6.070 -4.853 1.00 0.00 C ATOM 300 CG GLN A 901 -4.275 -6.579 -4.470 1.00 0.00 C ATOM 301 CD GLN A 901 -4.278 -7.320 -3.148 1.00 0.00 C ATOM 302 OE1 GLN A 901 -3.843 -6.790 -2.125 1.00 0.00 O ATOM 303 NE2 GLN A 901 -4.770 -8.554 -3.161 1.00 0.00 N ATOM 0 H GLN A 901 -3.646 -3.814 -5.506 1.00 0.00 H new ATOM 0 HA GLN A 901 -2.797 -4.903 -3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -2.879 -5.856 -5.922 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.164 -6.859 -4.675 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -4.965 -5.737 -4.412 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -4.644 -7.240 -5.254 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -5.120 -8.954 -4.031 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -4.798 -9.101 -2.301 1.00 0.00 H new ATOM 312 N ASN A 902 -0.424 -4.141 -5.198 1.00 0.00 N ATOM 313 CA ASN A 902 1.016 -3.958 -5.342 1.00 0.00 C ATOM 314 C ASN A 902 1.546 -2.976 -4.302 1.00 0.00 C ATOM 315 O ASN A 902 2.356 -3.336 -3.447 1.00 0.00 O ATOM 316 CB ASN A 902 1.350 -3.459 -6.749 1.00 0.00 C ATOM 317 CG ASN A 902 1.306 -4.569 -7.781 1.00 0.00 C ATOM 318 OD1 ASN A 902 1.574 -5.730 -7.473 1.00 0.00 O ATOM 319 ND2 ASN A 902 0.967 -4.215 -9.016 1.00 0.00 N ATOM 0 H ASN A 902 -0.971 -3.821 -5.997 1.00 0.00 H new ATOM 0 HA ASN A 902 1.497 -4.923 -5.183 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.646 -2.676 -7.031 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.343 -3.009 -6.746 1.00 0.00 H new ATOM 0 HD21 ASN A 902 0.921 -4.918 -9.754 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.753 -3.240 -9.226 1.00 0.00 H new ATOM 326 N PHE A 903 1.083 -1.733 -4.381 1.00 0.00 N ATOM 327 CA PHE A 903 1.510 -0.697 -3.447 1.00 0.00 C ATOM 328 C PHE A 903 1.448 -1.202 -2.009 1.00 0.00 C ATOM 329 O PHE A 903 2.439 -1.158 -1.279 1.00 0.00 O ATOM 330 CB PHE A 903 0.636 0.549 -3.600 1.00 0.00 C ATOM 331 CG PHE A 903 1.193 1.761 -2.909 1.00 0.00 C ATOM 332 CD1 PHE A 903 2.324 2.395 -3.398 1.00 0.00 C ATOM 333 CD2 PHE A 903 0.587 2.266 -1.770 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.839 3.510 -2.765 1.00 0.00 C ATOM 335 CE2 PHE A 903 1.097 3.381 -1.133 1.00 0.00 C ATOM 336 CZ PHE A 903 2.226 4.003 -1.630 1.00 0.00 C ATOM 0 H PHE A 903 0.412 -1.418 -5.082 1.00 0.00 H new ATOM 0 HA PHE A 903 2.543 -0.438 -3.678 1.00 0.00 H new ATOM 0 HB2 PHE A 903 0.514 0.769 -4.660 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.357 0.338 -3.202 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.809 2.013 -4.284 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.294 1.782 -1.375 1.00 0.00 H new ATOM 0 HE1 PHE A 903 3.720 3.996 -3.158 1.00 0.00 H new ATOM 0 HE2 PHE A 903 0.613 3.766 -0.247 1.00 0.00 H new ATOM 0 HZ PHE A 903 2.628 4.873 -1.132 1.00 0.00 H new ATOM 346 N LYS A 904 0.276 -1.683 -1.607 1.00 0.00 N ATOM 347 CA LYS A 904 0.082 -2.198 -0.256 1.00 0.00 C ATOM 348 C LYS A 904 1.179 -3.193 0.109 1.00 0.00 C ATOM 349 O LYS A 904 1.964 -2.957 1.027 1.00 0.00 O ATOM 350 CB LYS A 904 -1.289 -2.866 -0.135 1.00 0.00 C ATOM 351 CG LYS A 904 -2.434 -1.881 0.020 1.00 0.00 C ATOM 352 CD LYS A 904 -3.723 -2.427 -0.571 1.00 0.00 C ATOM 353 CE LYS A 904 -4.520 -3.212 0.460 1.00 0.00 C ATOM 354 NZ LYS A 904 -3.718 -4.312 1.061 1.00 0.00 N ATOM 0 H LYS A 904 -0.554 -1.727 -2.198 1.00 0.00 H new ATOM 0 HA LYS A 904 0.132 -1.358 0.437 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.465 -3.478 -1.020 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.281 -3.539 0.722 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -2.583 -1.658 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.177 -0.942 -0.471 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -4.328 -1.604 -0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -3.492 -3.070 -1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -4.859 -2.538 1.247 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -5.412 -3.627 -0.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -4.357 -5.032 1.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -3.118 -4.744 0.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -3.118 -3.930 1.820 1.00 0.00 H new ATOM 368 N ALA A 905 1.228 -4.306 -0.616 1.00 0.00 N ATOM 369 CA ALA A 905 2.230 -5.335 -0.371 1.00 0.00 C ATOM 370 C ALA A 905 3.619 -4.723 -0.222 1.00 0.00 C ATOM 371 O ALA A 905 4.421 -5.170 0.600 1.00 0.00 O ATOM 372 CB ALA A 905 2.221 -6.360 -1.494 1.00 0.00 C ATOM 0 H ALA A 905 0.584 -4.518 -1.379 1.00 0.00 H new ATOM 0 HA ALA A 905 1.979 -5.836 0.564 1.00 0.00 H new ATOM 0 HB1 ALA A 905 2.975 -7.122 -1.297 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.238 -6.828 -1.552 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.444 -5.866 -2.440 1.00 0.00 H new ATOM 378 N LEU A 906 3.899 -3.700 -1.021 1.00 0.00 N ATOM 379 CA LEU A 906 5.193 -3.027 -0.979 1.00 0.00 C ATOM 380 C LEU A 906 5.354 -2.239 0.317 1.00 0.00 C ATOM 381 O LEU A 906 6.467 -2.067 0.817 1.00 0.00 O ATOM 382 CB LEU A 906 5.343 -2.092 -2.180 1.00 0.00 C ATOM 383 CG LEU A 906 6.530 -1.129 -2.137 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.829 -1.871 -2.416 1.00 0.00 C ATOM 385 CD2 LEU A 906 6.335 0.003 -3.134 1.00 0.00 C ATOM 0 H LEU A 906 3.247 -3.318 -1.706 1.00 0.00 H new ATOM 0 HA LEU A 906 5.973 -3.788 -1.020 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.427 -2.700 -3.080 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.429 -1.506 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 906 6.589 -0.699 -1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.663 -1.170 -2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.974 -2.646 -1.663 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.781 -2.330 -3.404 1.00 0.00 H new ATOM 0 HD21 LEU A 906 7.189 0.678 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 906 6.250 -0.409 -4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 906 5.426 0.552 -2.888 1.00 0.00 H new ATOM 397 N LEU A 907 4.238 -1.765 0.858 1.00 0.00 N ATOM 398 CA LEU A 907 4.254 -0.996 2.098 1.00 0.00 C ATOM 399 C LEU A 907 4.598 -1.889 3.287 1.00 0.00 C ATOM 400 O LEU A 907 5.370 -1.502 4.164 1.00 0.00 O ATOM 401 CB LEU A 907 2.898 -0.326 2.325 1.00 0.00 C ATOM 402 CG LEU A 907 2.564 0.842 1.396 1.00 0.00 C ATOM 403 CD1 LEU A 907 1.115 1.267 1.573 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.501 2.013 1.653 1.00 0.00 C ATOM 0 H LEU A 907 3.310 -1.899 0.458 1.00 0.00 H new ATOM 0 HA LEU A 907 5.021 -0.227 2.009 1.00 0.00 H new ATOM 0 HB2 LEU A 907 2.119 -1.082 2.220 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.859 0.031 3.354 1.00 0.00 H new ATOM 0 HG LEU A 907 2.701 0.513 0.366 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.896 2.099 0.904 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.459 0.429 1.337 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.950 1.578 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 907 3.249 2.835 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 907 3.397 2.342 2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.530 1.702 1.474 1.00 0.00 H new ATOM 416 N SER A 908 4.020 -3.086 3.308 1.00 0.00 N ATOM 417 CA SER A 908 4.264 -4.033 4.390 1.00 0.00 C ATOM 418 C SER A 908 5.646 -4.665 4.257 1.00 0.00 C ATOM 419 O SER A 908 6.264 -5.047 5.251 1.00 0.00 O ATOM 420 CB SER A 908 3.190 -5.123 4.393 1.00 0.00 C ATOM 421 OG SER A 908 3.419 -6.061 5.430 1.00 0.00 O ATOM 0 H SER A 908 3.380 -3.423 2.589 1.00 0.00 H new ATOM 0 HA SER A 908 4.222 -3.489 5.333 1.00 0.00 H new ATOM 0 HB2 SER A 908 2.207 -4.669 4.519 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.184 -5.634 3.430 1.00 0.00 H new ATOM 0 HG SER A 908 2.719 -6.746 5.412 1.00 0.00 H new ATOM 427 N ASP A 909 6.124 -4.773 3.022 1.00 0.00 N ATOM 428 CA ASP A 909 7.433 -5.358 2.758 1.00 0.00 C ATOM 429 C ASP A 909 8.548 -4.376 3.106 1.00 0.00 C ATOM 430 O ASP A 909 9.564 -4.756 3.686 1.00 0.00 O ATOM 431 CB ASP A 909 7.543 -5.774 1.290 1.00 0.00 C ATOM 432 CG ASP A 909 6.976 -7.157 1.036 1.00 0.00 C ATOM 433 OD1 ASP A 909 7.516 -8.132 1.598 1.00 0.00 O ATOM 434 OD2 ASP A 909 5.992 -7.264 0.273 1.00 0.00 O ATOM 0 H ASP A 909 5.625 -4.463 2.188 1.00 0.00 H new ATOM 0 HA ASP A 909 7.542 -6.241 3.387 1.00 0.00 H new ATOM 0 HB2 ASP A 909 7.016 -5.049 0.670 1.00 0.00 H new ATOM 0 HB3 ASP A 909 8.590 -5.752 0.987 1.00 0.00 H new ATOM 439 N MET A 910 8.349 -3.112 2.747 1.00 0.00 N ATOM 440 CA MET A 910 9.337 -2.076 3.021 1.00 0.00 C ATOM 441 C MET A 910 9.169 -1.525 4.434 1.00 0.00 C ATOM 442 O MET A 910 10.150 -1.297 5.143 1.00 0.00 O ATOM 443 CB MET A 910 9.216 -0.942 2.001 1.00 0.00 C ATOM 444 CG MET A 910 9.505 -1.376 0.573 1.00 0.00 C ATOM 445 SD MET A 910 11.194 -1.968 0.356 1.00 0.00 S ATOM 446 CE MET A 910 12.045 -0.435 -0.015 1.00 0.00 C ATOM 0 H MET A 910 7.513 -2.781 2.266 1.00 0.00 H new ATOM 0 HA MET A 910 10.328 -2.523 2.939 1.00 0.00 H new ATOM 0 HB2 MET A 910 8.209 -0.527 2.049 1.00 0.00 H new ATOM 0 HB3 MET A 910 9.904 -0.142 2.275 1.00 0.00 H new ATOM 0 HG2 MET A 910 8.808 -2.165 0.289 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.329 -0.537 -0.100 1.00 0.00 H new ATOM 0 HE1 MET A 910 12.981 -0.654 -0.529 1.00 0.00 H new ATOM 0 HE2 MET A 910 11.416 0.185 -0.654 1.00 0.00 H new ATOM 0 HE3 MET A 910 12.256 0.098 0.912 1.00 0.00 H new ATOM 456 N VAL A 911 7.920 -1.313 4.837 1.00 0.00 N ATOM 457 CA VAL A 911 7.624 -0.789 6.165 1.00 0.00 C ATOM 458 C VAL A 911 7.198 -1.905 7.113 1.00 0.00 C ATOM 459 O VAL A 911 6.008 -2.099 7.364 1.00 0.00 O ATOM 460 CB VAL A 911 6.515 0.278 6.113 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.474 1.070 7.411 1.00 0.00 C ATOM 462 CG2 VAL A 911 6.719 1.201 4.921 1.00 0.00 C ATOM 0 H VAL A 911 7.097 -1.496 4.263 1.00 0.00 H new ATOM 0 HA VAL A 911 8.541 -0.331 6.537 1.00 0.00 H new ATOM 0 HB VAL A 911 5.556 -0.226 5.993 1.00 0.00 H new ATOM 0 HG11 VAL A 911 5.684 1.819 7.355 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.276 0.395 8.243 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.433 1.565 7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 911 5.926 1.949 4.900 1.00 0.00 H new ATOM 0 HG22 VAL A 911 7.685 1.699 5.007 1.00 0.00 H new ATOM 0 HG23 VAL A 911 6.692 0.618 4.001 1.00 0.00 H new ATOM 472 N ARG A 912 8.177 -2.635 7.637 1.00 0.00 N ATOM 473 CA ARG A 912 7.903 -3.732 8.557 1.00 0.00 C ATOM 474 C ARG A 912 7.585 -3.204 9.953 1.00 0.00 C ATOM 475 O ARG A 912 7.070 -3.933 10.801 1.00 0.00 O ATOM 476 CB ARG A 912 9.098 -4.684 8.619 1.00 0.00 C ATOM 477 CG ARG A 912 8.823 -5.957 9.403 1.00 0.00 C ATOM 478 CD ARG A 912 7.997 -6.943 8.593 1.00 0.00 C ATOM 479 NE ARG A 912 6.563 -6.742 8.783 1.00 0.00 N ATOM 480 CZ ARG A 912 5.634 -7.536 8.262 1.00 0.00 C ATOM 481 NH1 ARG A 912 5.987 -8.578 7.523 1.00 0.00 N ATOM 482 NH2 ARG A 912 4.349 -7.287 8.480 1.00 0.00 N ATOM 0 H ARG A 912 9.167 -2.487 7.440 1.00 0.00 H new ATOM 0 HA ARG A 912 7.034 -4.276 8.187 1.00 0.00 H new ATOM 0 HB2 ARG A 912 9.393 -4.949 7.604 1.00 0.00 H new ATOM 0 HB3 ARG A 912 9.943 -4.164 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 912 9.767 -6.420 9.689 1.00 0.00 H new ATOM 0 HG3 ARG A 912 8.296 -5.711 10.325 1.00 0.00 H new ATOM 0 HD2 ARG A 912 8.241 -6.838 7.536 1.00 0.00 H new ATOM 0 HD3 ARG A 912 8.262 -7.960 8.881 1.00 0.00 H new ATOM 0 HE ARG A 912 6.258 -5.948 9.347 1.00 0.00 H new ATOM 0 HH11 ARG A 912 6.974 -8.772 7.353 1.00 0.00 H new ATOM 0 HH12 ARG A 912 5.272 -9.186 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 912 4.074 -6.486 9.048 1.00 0.00 H new ATOM 0 HH22 ARG A 912 3.636 -7.897 8.080 1.00 0.00 H new ATOM 496 N SER A 913 7.898 -1.933 10.185 1.00 0.00 N ATOM 497 CA SER A 913 7.651 -1.309 11.479 1.00 0.00 C ATOM 498 C SER A 913 6.373 -0.476 11.445 1.00 0.00 C ATOM 499 O SER A 913 5.733 -0.343 10.402 1.00 0.00 O ATOM 500 CB SER A 913 8.836 -0.429 11.880 1.00 0.00 C ATOM 501 OG SER A 913 9.793 -1.169 12.619 1.00 0.00 O ATOM 0 H SER A 913 8.323 -1.316 9.493 1.00 0.00 H new ATOM 0 HA SER A 913 7.529 -2.100 12.219 1.00 0.00 H new ATOM 0 HB2 SER A 913 9.303 -0.014 10.987 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.483 0.413 12.476 1.00 0.00 H new ATOM 0 HG SER A 913 10.541 -0.585 12.862 1.00 0.00 H new ATOM 507 N SER A 914 6.008 0.084 12.594 1.00 0.00 N ATOM 508 CA SER A 914 4.805 0.902 12.698 1.00 0.00 C ATOM 509 C SER A 914 5.129 2.272 13.286 1.00 0.00 C ATOM 510 O SER A 914 4.433 3.253 13.023 1.00 0.00 O ATOM 511 CB SER A 914 3.758 0.198 13.563 1.00 0.00 C ATOM 512 OG SER A 914 4.206 0.065 14.900 1.00 0.00 O ATOM 0 H SER A 914 6.528 -0.014 13.466 1.00 0.00 H new ATOM 0 HA SER A 914 4.403 1.042 11.695 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.826 0.763 13.543 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.542 -0.787 13.149 1.00 0.00 H new ATOM 0 HG SER A 914 3.518 -0.386 15.432 1.00 0.00 H new ATOM 518 N ASP A 915 6.189 2.330 14.084 1.00 0.00 N ATOM 519 CA ASP A 915 6.607 3.580 14.710 1.00 0.00 C ATOM 520 C ASP A 915 7.389 4.445 13.726 1.00 0.00 C ATOM 521 O ASP A 915 8.424 5.016 14.071 1.00 0.00 O ATOM 522 CB ASP A 915 7.460 3.295 15.947 1.00 0.00 C ATOM 523 CG ASP A 915 6.896 2.170 16.792 1.00 0.00 C ATOM 524 OD1 ASP A 915 5.785 2.336 17.338 1.00 0.00 O ATOM 525 OD2 ASP A 915 7.565 1.122 16.907 1.00 0.00 O ATOM 0 H ASP A 915 6.775 1.527 14.313 1.00 0.00 H new ATOM 0 HA ASP A 915 5.712 4.124 15.013 1.00 0.00 H new ATOM 0 HB2 ASP A 915 8.473 3.039 15.635 1.00 0.00 H new ATOM 0 HB3 ASP A 915 7.532 4.199 16.552 1.00 0.00 H new ATOM 530 N VAL A 916 6.888 4.537 12.498 1.00 0.00 N ATOM 531 CA VAL A 916 7.539 5.332 11.464 1.00 0.00 C ATOM 532 C VAL A 916 6.673 6.519 11.057 1.00 0.00 C ATOM 533 O VAL A 916 5.568 6.699 11.569 1.00 0.00 O ATOM 534 CB VAL A 916 7.849 4.484 10.216 1.00 0.00 C ATOM 535 CG1 VAL A 916 8.642 3.244 10.597 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.563 4.105 9.497 1.00 0.00 C ATOM 0 H VAL A 916 6.033 4.070 12.195 1.00 0.00 H new ATOM 0 HA VAL A 916 8.475 5.697 11.887 1.00 0.00 H new ATOM 0 HB VAL A 916 8.457 5.079 9.535 1.00 0.00 H new ATOM 0 HG11 VAL A 916 8.852 2.657 9.703 1.00 0.00 H new ATOM 0 HG12 VAL A 916 9.581 3.542 11.064 1.00 0.00 H new ATOM 0 HG13 VAL A 916 8.063 2.643 11.298 1.00 0.00 H new ATOM 0 HG21 VAL A 916 6.801 3.506 8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 916 5.927 3.528 10.168 1.00 0.00 H new ATOM 0 HG23 VAL A 916 6.038 5.009 9.189 1.00 0.00 H new ATOM 546 N SER A 917 7.182 7.325 10.131 1.00 0.00 N ATOM 547 CA SER A 917 6.456 8.498 9.656 1.00 0.00 C ATOM 548 C SER A 917 6.107 8.359 8.177 1.00 0.00 C ATOM 549 O SER A 917 6.785 7.650 7.433 1.00 0.00 O ATOM 550 CB SER A 917 7.287 9.763 9.879 1.00 0.00 C ATOM 551 OG SER A 917 6.454 10.897 10.049 1.00 0.00 O ATOM 0 H SER A 917 8.094 7.188 9.695 1.00 0.00 H new ATOM 0 HA SER A 917 5.529 8.576 10.224 1.00 0.00 H new ATOM 0 HB2 SER A 917 7.919 9.637 10.758 1.00 0.00 H new ATOM 0 HB3 SER A 917 7.951 9.920 9.029 1.00 0.00 H new ATOM 0 HG SER A 917 7.009 11.692 10.192 1.00 0.00 H new ATOM 557 N TRP A 918 5.046 9.040 7.760 1.00 0.00 N ATOM 558 CA TRP A 918 4.606 8.993 6.370 1.00 0.00 C ATOM 559 C TRP A 918 5.737 9.390 5.428 1.00 0.00 C ATOM 560 O TRP A 918 5.995 8.712 4.433 1.00 0.00 O ATOM 561 CB TRP A 918 3.405 9.917 6.163 1.00 0.00 C ATOM 562 CG TRP A 918 3.156 10.253 4.724 1.00 0.00 C ATOM 563 CD1 TRP A 918 2.957 11.496 4.195 1.00 0.00 C ATOM 564 CD2 TRP A 918 3.077 9.332 3.630 1.00 0.00 C ATOM 565 NE1 TRP A 918 2.759 11.404 2.838 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.829 10.088 2.467 1.00 0.00 C ATOM 567 CE3 TRP A 918 3.195 7.944 3.519 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.696 9.499 1.212 1.00 0.00 C ATOM 569 CZ3 TRP A 918 3.061 7.362 2.273 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.815 8.138 1.133 1.00 0.00 C ATOM 0 H TRP A 918 4.475 9.631 8.364 1.00 0.00 H new ATOM 0 HA TRP A 918 4.311 7.969 6.142 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.515 9.443 6.577 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.564 10.839 6.722 1.00 0.00 H new ATOM 0 HD1 TRP A 918 2.955 12.416 4.760 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.588 12.189 2.209 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.387 7.337 4.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.506 10.095 0.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 3.147 6.290 2.176 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.717 7.653 0.173 1.00 0.00 H new ATOM 581 N SER A 919 6.409 10.491 5.747 1.00 0.00 N ATOM 582 CA SER A 919 7.511 10.979 4.926 1.00 0.00 C ATOM 583 C SER A 919 8.585 9.908 4.765 1.00 0.00 C ATOM 584 O SER A 919 8.921 9.512 3.649 1.00 0.00 O ATOM 585 CB SER A 919 8.119 12.238 5.547 1.00 0.00 C ATOM 586 OG SER A 919 8.624 11.974 6.844 1.00 0.00 O ATOM 0 H SER A 919 6.210 11.062 6.568 1.00 0.00 H new ATOM 0 HA SER A 919 7.116 11.223 3.940 1.00 0.00 H new ATOM 0 HB2 SER A 919 8.921 12.611 4.910 1.00 0.00 H new ATOM 0 HB3 SER A 919 7.364 13.022 5.600 1.00 0.00 H new ATOM 0 HG SER A 919 9.009 12.794 7.218 1.00 0.00 H new ATOM 592 N ASP A 920 9.120 9.443 5.888 1.00 0.00 N ATOM 593 CA ASP A 920 10.156 8.416 5.874 1.00 0.00 C ATOM 594 C ASP A 920 9.814 7.313 4.878 1.00 0.00 C ATOM 595 O ASP A 920 10.619 6.973 4.010 1.00 0.00 O ATOM 596 CB ASP A 920 10.334 7.821 7.272 1.00 0.00 C ATOM 597 CG ASP A 920 10.868 8.832 8.268 1.00 0.00 C ATOM 598 OD1 ASP A 920 10.386 9.984 8.260 1.00 0.00 O ATOM 599 OD2 ASP A 920 11.766 8.470 9.055 1.00 0.00 O ATOM 0 H ASP A 920 8.854 9.761 6.820 1.00 0.00 H new ATOM 0 HA ASP A 920 11.091 8.883 5.565 1.00 0.00 H new ATOM 0 HB2 ASP A 920 9.377 7.438 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 920 11.016 6.973 7.218 1.00 0.00 H new ATOM 604 N THR A 921 8.614 6.756 5.008 1.00 0.00 N ATOM 605 CA THR A 921 8.166 5.690 4.121 1.00 0.00 C ATOM 606 C THR A 921 8.071 6.177 2.680 1.00 0.00 C ATOM 607 O THR A 921 8.698 5.615 1.782 1.00 0.00 O ATOM 608 CB THR A 921 6.795 5.137 4.555 1.00 0.00 C ATOM 609 OG1 THR A 921 6.872 4.635 5.894 1.00 0.00 O ATOM 610 CG2 THR A 921 6.337 4.029 3.619 1.00 0.00 C ATOM 0 H THR A 921 7.935 7.026 5.720 1.00 0.00 H new ATOM 0 HA THR A 921 8.908 4.894 4.184 1.00 0.00 H new ATOM 0 HB THR A 921 6.070 5.950 4.512 1.00 0.00 H new ATOM 0 HG1 THR A 921 6.034 4.828 6.365 1.00 0.00 H new ATOM 0 HG21 THR A 921 5.367 3.654 3.946 1.00 0.00 H new ATOM 0 HG22 THR A 921 6.252 4.421 2.605 1.00 0.00 H new ATOM 0 HG23 THR A 921 7.063 3.216 3.634 1.00 0.00 H new ATOM 618 N ARG A 922 7.282 7.226 2.465 1.00 0.00 N ATOM 619 CA ARG A 922 7.105 7.788 1.132 1.00 0.00 C ATOM 620 C ARG A 922 8.421 7.781 0.359 1.00 0.00 C ATOM 621 O ARG A 922 8.533 7.147 -0.690 1.00 0.00 O ATOM 622 CB ARG A 922 6.564 9.216 1.225 1.00 0.00 C ATOM 623 CG ARG A 922 5.759 9.642 0.009 1.00 0.00 C ATOM 624 CD ARG A 922 5.357 11.107 0.092 1.00 0.00 C ATOM 625 NE ARG A 922 5.194 11.706 -1.230 1.00 0.00 N ATOM 626 CZ ARG A 922 4.488 12.808 -1.455 1.00 0.00 C ATOM 627 NH1 ARG A 922 3.882 13.428 -0.452 1.00 0.00 N ATOM 628 NH2 ARG A 922 4.386 13.292 -2.686 1.00 0.00 N ATOM 0 H ARG A 922 6.756 7.703 3.197 1.00 0.00 H new ATOM 0 HA ARG A 922 6.386 7.168 0.597 1.00 0.00 H new ATOM 0 HB2 ARG A 922 5.938 9.301 2.113 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.399 9.904 1.357 1.00 0.00 H new ATOM 0 HG2 ARG A 922 6.346 9.475 -0.894 1.00 0.00 H new ATOM 0 HG3 ARG A 922 4.866 9.023 -0.073 1.00 0.00 H new ATOM 0 HD2 ARG A 922 4.423 11.196 0.648 1.00 0.00 H new ATOM 0 HD3 ARG A 922 6.113 11.659 0.649 1.00 0.00 H new ATOM 0 HE ARG A 922 5.647 11.253 -2.024 1.00 0.00 H new ATOM 0 HH11 ARG A 922 3.957 13.059 0.496 1.00 0.00 H new ATOM 0 HH12 ARG A 922 3.341 14.274 -0.628 1.00 0.00 H new ATOM 0 HH21 ARG A 922 4.850 12.818 -3.461 1.00 0.00 H new ATOM 0 HH22 ARG A 922 3.843 14.138 -2.858 1.00 0.00 H new ATOM 642 N ARG A 923 9.414 8.490 0.886 1.00 0.00 N ATOM 643 CA ARG A 923 10.722 8.567 0.246 1.00 0.00 C ATOM 644 C ARG A 923 11.310 7.174 0.041 1.00 0.00 C ATOM 645 O ARG A 923 11.905 6.885 -0.997 1.00 0.00 O ATOM 646 CB ARG A 923 11.676 9.417 1.086 1.00 0.00 C ATOM 647 CG ARG A 923 11.429 10.912 0.964 1.00 0.00 C ATOM 648 CD ARG A 923 12.575 11.716 1.557 1.00 0.00 C ATOM 649 NE ARG A 923 13.846 11.426 0.899 1.00 0.00 N ATOM 650 CZ ARG A 923 14.127 11.787 -0.348 1.00 0.00 C ATOM 651 NH1 ARG A 923 13.231 12.448 -1.068 1.00 0.00 N ATOM 652 NH2 ARG A 923 15.306 11.486 -0.878 1.00 0.00 N ATOM 0 H ARG A 923 9.338 9.019 1.755 1.00 0.00 H new ATOM 0 HA ARG A 923 10.594 9.035 -0.730 1.00 0.00 H new ATOM 0 HB2 ARG A 923 11.582 9.126 2.132 1.00 0.00 H new ATOM 0 HB3 ARG A 923 12.701 9.201 0.786 1.00 0.00 H new ATOM 0 HG2 ARG A 923 11.303 11.177 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 923 10.500 11.171 1.472 1.00 0.00 H new ATOM 0 HD2 ARG A 923 12.355 12.780 1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 923 12.659 11.496 2.621 1.00 0.00 H new ATOM 0 HE ARG A 923 14.557 10.918 1.426 1.00 0.00 H new ATOM 0 HH11 ARG A 923 12.323 12.680 -0.664 1.00 0.00 H new ATOM 0 HH12 ARG A 923 13.449 12.724 -2.025 1.00 0.00 H new ATOM 0 HH21 ARG A 923 15.998 10.977 -0.328 1.00 0.00 H new ATOM 0 HH22 ARG A 923 15.521 11.764 -1.836 1.00 0.00 H new ATOM 666 N THR A 924 11.140 6.313 1.040 1.00 0.00 N ATOM 667 CA THR A 924 11.654 4.951 0.971 1.00 0.00 C ATOM 668 C THR A 924 11.121 4.223 -0.257 1.00 0.00 C ATOM 669 O THR A 924 11.879 3.599 -0.999 1.00 0.00 O ATOM 670 CB THR A 924 11.285 4.147 2.232 1.00 0.00 C ATOM 671 OG1 THR A 924 11.793 4.804 3.399 1.00 0.00 O ATOM 672 CG2 THR A 924 11.844 2.734 2.155 1.00 0.00 C ATOM 0 H THR A 924 10.650 6.535 1.907 1.00 0.00 H new ATOM 0 HA THR A 924 12.739 5.026 0.902 1.00 0.00 H new ATOM 0 HB THR A 924 10.198 4.088 2.294 1.00 0.00 H new ATOM 0 HG1 THR A 924 11.131 5.449 3.725 1.00 0.00 H new ATOM 0 HG21 THR A 924 11.571 2.185 3.056 1.00 0.00 H new ATOM 0 HG22 THR A 924 11.432 2.227 1.282 1.00 0.00 H new ATOM 0 HG23 THR A 924 12.930 2.776 2.071 1.00 0.00 H new ATOM 680 N LEU A 925 9.812 4.307 -0.466 1.00 0.00 N ATOM 681 CA LEU A 925 9.176 3.656 -1.606 1.00 0.00 C ATOM 682 C LEU A 925 9.627 4.291 -2.917 1.00 0.00 C ATOM 683 O LEU A 925 10.057 3.597 -3.839 1.00 0.00 O ATOM 684 CB LEU A 925 7.653 3.740 -1.483 1.00 0.00 C ATOM 685 CG LEU A 925 7.071 3.400 -0.110 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.608 3.808 -0.035 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.228 1.915 0.182 1.00 0.00 C ATOM 0 H LEU A 925 9.170 4.819 0.139 1.00 0.00 H new ATOM 0 HA LEU A 925 9.477 2.608 -1.608 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.342 4.751 -1.747 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.211 3.068 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 925 7.622 3.959 0.646 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.211 3.558 0.949 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.521 4.882 -0.200 1.00 0.00 H new ATOM 0 HD13 LEU A 925 5.042 3.276 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 925 6.809 1.691 1.163 1.00 0.00 H new ATOM 0 HD22 LEU A 925 6.702 1.337 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.286 1.652 0.171 1.00 0.00 H new ATOM 699 N ARG A 926 9.528 5.614 -2.993 1.00 0.00 N ATOM 700 CA ARG A 926 9.927 6.343 -4.191 1.00 0.00 C ATOM 701 C ARG A 926 11.179 5.728 -4.809 1.00 0.00 C ATOM 702 O ARG A 926 11.262 5.553 -6.025 1.00 0.00 O ATOM 703 CB ARG A 926 10.180 7.815 -3.858 1.00 0.00 C ATOM 704 CG ARG A 926 8.937 8.684 -3.957 1.00 0.00 C ATOM 705 CD ARG A 926 9.280 10.161 -3.850 1.00 0.00 C ATOM 706 NE ARG A 926 9.941 10.658 -5.054 1.00 0.00 N ATOM 707 CZ ARG A 926 10.510 11.856 -5.139 1.00 0.00 C ATOM 708 NH1 ARG A 926 10.499 12.674 -4.096 1.00 0.00 N ATOM 709 NH2 ARG A 926 11.092 12.236 -6.269 1.00 0.00 N ATOM 0 H ARG A 926 9.175 6.203 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 926 9.114 6.276 -4.914 1.00 0.00 H new ATOM 0 HB2 ARG A 926 10.583 7.886 -2.848 1.00 0.00 H new ATOM 0 HB3 ARG A 926 10.941 8.206 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 926 8.434 8.494 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 926 8.238 8.413 -3.165 1.00 0.00 H new ATOM 0 HD2 ARG A 926 8.369 10.733 -3.674 1.00 0.00 H new ATOM 0 HD3 ARG A 926 9.928 10.321 -2.988 1.00 0.00 H new ATOM 0 HE ARG A 926 9.967 10.052 -5.874 1.00 0.00 H new ATOM 0 HH11 ARG A 926 10.053 12.384 -3.225 1.00 0.00 H new ATOM 0 HH12 ARG A 926 10.936 13.593 -4.164 1.00 0.00 H new ATOM 0 HH21 ARG A 926 11.103 11.609 -7.073 1.00 0.00 H new ATOM 0 HH22 ARG A 926 11.529 13.156 -6.334 1.00 0.00 H new ATOM 723 N LYS A 927 12.151 5.402 -3.965 1.00 0.00 N ATOM 724 CA LYS A 927 13.399 4.806 -4.427 1.00 0.00 C ATOM 725 C LYS A 927 13.147 3.446 -5.070 1.00 0.00 C ATOM 726 O LYS A 927 13.720 3.127 -6.112 1.00 0.00 O ATOM 727 CB LYS A 927 14.380 4.657 -3.261 1.00 0.00 C ATOM 728 CG LYS A 927 15.278 5.866 -3.064 1.00 0.00 C ATOM 729 CD LYS A 927 16.566 5.739 -3.861 1.00 0.00 C ATOM 730 CE LYS A 927 16.420 6.335 -5.253 1.00 0.00 C ATOM 731 NZ LYS A 927 15.960 7.751 -5.205 1.00 0.00 N ATOM 0 H LYS A 927 12.099 5.541 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 927 13.833 5.468 -5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 927 13.818 4.479 -2.344 1.00 0.00 H new ATOM 0 HB3 LYS A 927 15.001 3.777 -3.430 1.00 0.00 H new ATOM 0 HG2 LYS A 927 14.748 6.768 -3.369 1.00 0.00 H new ATOM 0 HG3 LYS A 927 15.513 5.977 -2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 927 17.374 6.243 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 927 16.844 4.688 -3.941 1.00 0.00 H new ATOM 0 HE2 LYS A 927 17.376 6.281 -5.773 1.00 0.00 H new ATOM 0 HE3 LYS A 927 15.710 5.742 -5.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 16.364 8.275 -6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 14.922 7.781 -5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 16.273 8.188 -4.314 1.00 0.00 H new ATOM 745 N ASP A 928 12.288 2.651 -4.443 1.00 0.00 N ATOM 746 CA ASP A 928 11.958 1.326 -4.956 1.00 0.00 C ATOM 747 C ASP A 928 11.552 1.398 -6.425 1.00 0.00 C ATOM 748 O ASP A 928 11.317 2.480 -6.963 1.00 0.00 O ATOM 749 CB ASP A 928 10.830 0.703 -4.132 1.00 0.00 C ATOM 750 CG ASP A 928 10.511 -0.714 -4.566 1.00 0.00 C ATOM 751 OD1 ASP A 928 9.817 -0.879 -5.590 1.00 0.00 O ATOM 752 OD2 ASP A 928 10.956 -1.659 -3.880 1.00 0.00 O ATOM 0 H ASP A 928 11.807 2.900 -3.579 1.00 0.00 H new ATOM 0 HA ASP A 928 12.846 0.700 -4.873 1.00 0.00 H new ATOM 0 HB2 ASP A 928 11.111 0.703 -3.079 1.00 0.00 H new ATOM 0 HB3 ASP A 928 9.935 1.318 -4.223 1.00 0.00 H new ATOM 757 N HIS A 929 11.473 0.238 -7.069 1.00 0.00 N ATOM 758 CA HIS A 929 11.097 0.169 -8.476 1.00 0.00 C ATOM 759 C HIS A 929 9.580 0.120 -8.631 1.00 0.00 C ATOM 760 O HIS A 929 8.995 0.915 -9.366 1.00 0.00 O ATOM 761 CB HIS A 929 11.728 -1.058 -9.136 1.00 0.00 C ATOM 762 CG HIS A 929 11.535 -1.106 -10.620 1.00 0.00 C ATOM 763 ND1 HIS A 929 11.200 -2.259 -11.298 1.00 0.00 N ATOM 764 CD2 HIS A 929 11.631 -0.134 -11.557 1.00 0.00 C ATOM 765 CE1 HIS A 929 11.099 -1.994 -12.589 1.00 0.00 C ATOM 766 NE2 HIS A 929 11.355 -0.712 -12.772 1.00 0.00 N ATOM 0 H HIS A 929 11.664 -0.667 -6.639 1.00 0.00 H new ATOM 0 HA HIS A 929 11.467 1.068 -8.969 1.00 0.00 H new ATOM 0 HB2 HIS A 929 12.796 -1.070 -8.916 1.00 0.00 H new ATOM 0 HB3 HIS A 929 11.302 -1.958 -8.693 1.00 0.00 H new ATOM 0 HD2 HIS A 929 11.878 0.903 -11.382 1.00 0.00 H new ATOM 0 HE1 HIS A 929 10.849 -2.705 -13.362 1.00 0.00 H new ATOM 0 HE2 HIS A 929 11.349 -0.229 -13.670 1.00 0.00 H new ATOM 774 N ARG A 930 8.949 -0.820 -7.934 1.00 0.00 N ATOM 775 CA ARG A 930 7.500 -0.974 -7.996 1.00 0.00 C ATOM 776 C ARG A 930 6.805 0.382 -7.913 1.00 0.00 C ATOM 777 O ARG A 930 5.825 0.632 -8.614 1.00 0.00 O ATOM 778 CB ARG A 930 7.013 -1.879 -6.863 1.00 0.00 C ATOM 779 CG ARG A 930 7.223 -3.360 -7.133 1.00 0.00 C ATOM 780 CD ARG A 930 8.700 -3.720 -7.142 1.00 0.00 C ATOM 781 NE ARG A 930 8.912 -5.164 -7.076 1.00 0.00 N ATOM 782 CZ ARG A 930 8.940 -5.852 -5.940 1.00 0.00 C ATOM 783 NH1 ARG A 930 8.772 -5.230 -4.781 1.00 0.00 N ATOM 784 NH2 ARG A 930 9.138 -7.164 -5.962 1.00 0.00 N ATOM 0 H ARG A 930 9.418 -1.486 -7.320 1.00 0.00 H new ATOM 0 HA ARG A 930 7.249 -1.434 -8.952 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.533 -1.609 -5.944 1.00 0.00 H new ATOM 0 HB3 ARG A 930 5.952 -1.696 -6.694 1.00 0.00 H new ATOM 0 HG2 ARG A 930 6.709 -3.946 -6.371 1.00 0.00 H new ATOM 0 HG3 ARG A 930 6.777 -3.623 -8.092 1.00 0.00 H new ATOM 0 HD2 ARG A 930 9.163 -3.327 -8.047 1.00 0.00 H new ATOM 0 HD3 ARG A 930 9.195 -3.242 -6.297 1.00 0.00 H new ATOM 0 HE ARG A 930 9.046 -5.672 -7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 930 8.621 -4.221 -4.761 1.00 0.00 H new ATOM 0 HH12 ARG A 930 8.794 -5.760 -3.910 1.00 0.00 H new ATOM 0 HH21 ARG A 930 9.269 -7.645 -6.852 1.00 0.00 H new ATOM 0 HH22 ARG A 930 9.159 -7.691 -5.089 1.00 0.00 H new ATOM 798 N TRP A 931 7.320 1.252 -7.052 1.00 0.00 N ATOM 799 CA TRP A 931 6.748 2.583 -6.877 1.00 0.00 C ATOM 800 C TRP A 931 6.271 3.150 -8.209 1.00 0.00 C ATOM 801 O TRP A 931 5.201 3.752 -8.289 1.00 0.00 O ATOM 802 CB TRP A 931 7.777 3.523 -6.247 1.00 0.00 C ATOM 803 CG TRP A 931 7.361 4.963 -6.277 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.555 5.852 -7.295 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.684 5.681 -5.239 1.00 0.00 C ATOM 806 NE1 TRP A 931 7.039 7.078 -6.954 1.00 0.00 N ATOM 807 CE2 TRP A 931 6.498 6.999 -5.698 1.00 0.00 C ATOM 808 CE3 TRP A 931 6.214 5.337 -3.969 1.00 0.00 C ATOM 809 CZ2 TRP A 931 5.864 7.972 -4.930 1.00 0.00 C ATOM 810 CZ3 TRP A 931 5.585 6.304 -3.208 1.00 0.00 C ATOM 811 CH2 TRP A 931 5.414 7.608 -3.690 1.00 0.00 C ATOM 0 H TRP A 931 8.132 1.061 -6.465 1.00 0.00 H new ATOM 0 HA TRP A 931 5.889 2.498 -6.212 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.948 3.223 -5.213 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.726 3.415 -6.771 1.00 0.00 H new ATOM 0 HD1 TRP A 931 8.043 5.624 -8.231 1.00 0.00 H new ATOM 0 HE1 TRP A 931 7.056 7.912 -7.541 1.00 0.00 H new ATOM 0 HE3 TRP A 931 6.340 4.334 -3.589 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 5.732 8.978 -5.300 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 5.219 6.050 -2.224 1.00 0.00 H new ATOM 0 HH2 TRP A 931 4.917 8.340 -3.071 1.00 0.00 H new ATOM 822 N GLU A 932 7.071 2.952 -9.252 1.00 0.00 N ATOM 823 CA GLU A 932 6.728 3.445 -10.581 1.00 0.00 C ATOM 824 C GLU A 932 5.257 3.189 -10.894 1.00 0.00 C ATOM 825 O GLU A 932 4.533 4.093 -11.311 1.00 0.00 O ATOM 826 CB GLU A 932 7.610 2.779 -11.640 1.00 0.00 C ATOM 827 CG GLU A 932 7.799 3.621 -12.891 1.00 0.00 C ATOM 828 CD GLU A 932 8.877 3.071 -13.805 1.00 0.00 C ATOM 829 OE1 GLU A 932 10.066 3.369 -13.566 1.00 0.00 O ATOM 830 OE2 GLU A 932 8.531 2.344 -14.760 1.00 0.00 O ATOM 0 H GLU A 932 7.960 2.454 -9.203 1.00 0.00 H new ATOM 0 HA GLU A 932 6.903 4.521 -10.597 1.00 0.00 H new ATOM 0 HB2 GLU A 932 8.586 2.565 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 932 7.169 1.822 -11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 932 6.857 3.672 -13.436 1.00 0.00 H new ATOM 0 HG3 GLU A 932 8.057 4.640 -12.603 1.00 0.00 H new ATOM 837 N SER A 933 4.822 1.949 -10.690 1.00 0.00 N ATOM 838 CA SER A 933 3.439 1.571 -10.955 1.00 0.00 C ATOM 839 C SER A 933 2.502 2.172 -9.911 1.00 0.00 C ATOM 840 O SER A 933 1.334 2.440 -10.189 1.00 0.00 O ATOM 841 CB SER A 933 3.298 0.048 -10.966 1.00 0.00 C ATOM 842 OG SER A 933 4.311 -0.552 -11.754 1.00 0.00 O ATOM 0 H SER A 933 5.408 1.190 -10.342 1.00 0.00 H new ATOM 0 HA SER A 933 3.163 1.962 -11.934 1.00 0.00 H new ATOM 0 HB2 SER A 933 3.353 -0.333 -9.946 1.00 0.00 H new ATOM 0 HB3 SER A 933 2.318 -0.227 -11.357 1.00 0.00 H new ATOM 0 HG SER A 933 4.200 -1.526 -11.744 1.00 0.00 H new ATOM 848 N GLY A 934 3.025 2.381 -8.706 1.00 0.00 N ATOM 849 CA GLY A 934 2.224 2.949 -7.638 1.00 0.00 C ATOM 850 C GLY A 934 1.705 4.333 -7.975 1.00 0.00 C ATOM 851 O GLY A 934 0.827 4.857 -7.290 1.00 0.00 O ATOM 0 H GLY A 934 3.989 2.167 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.382 2.289 -7.430 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.822 3.000 -6.728 1.00 0.00 H new ATOM 855 N SER A 935 2.249 4.926 -9.032 1.00 0.00 N ATOM 856 CA SER A 935 1.839 6.260 -9.456 1.00 0.00 C ATOM 857 C SER A 935 0.319 6.366 -9.520 1.00 0.00 C ATOM 858 O SER A 935 -0.267 7.343 -9.052 1.00 0.00 O ATOM 859 CB SER A 935 2.444 6.593 -10.821 1.00 0.00 C ATOM 860 OG SER A 935 3.831 6.864 -10.712 1.00 0.00 O ATOM 0 H SER A 935 2.975 4.504 -9.611 1.00 0.00 H new ATOM 0 HA SER A 935 2.205 6.977 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.286 5.760 -11.505 1.00 0.00 H new ATOM 0 HB3 SER A 935 1.934 7.457 -11.247 1.00 0.00 H new ATOM 0 HG SER A 935 4.338 6.036 -10.846 1.00 0.00 H new ATOM 866 N LEU A 936 -0.314 5.354 -10.104 1.00 0.00 N ATOM 867 CA LEU A 936 -1.767 5.332 -10.231 1.00 0.00 C ATOM 868 C LEU A 936 -2.431 5.924 -8.992 1.00 0.00 C ATOM 869 O LEU A 936 -3.297 6.794 -9.093 1.00 0.00 O ATOM 870 CB LEU A 936 -2.258 3.900 -10.452 1.00 0.00 C ATOM 871 CG LEU A 936 -2.093 3.346 -11.867 1.00 0.00 C ATOM 872 CD1 LEU A 936 -2.164 1.826 -11.857 1.00 0.00 C ATOM 873 CD2 LEU A 936 -3.153 3.924 -12.793 1.00 0.00 C ATOM 0 H LEU A 936 0.156 4.538 -10.497 1.00 0.00 H new ATOM 0 HA LEU A 936 -2.041 5.940 -11.093 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.727 3.244 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.314 3.854 -10.186 1.00 0.00 H new ATOM 0 HG LEU A 936 -1.112 3.642 -12.240 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -2.045 1.449 -12.873 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.368 1.429 -11.227 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -3.130 1.509 -11.464 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -3.020 3.519 -13.796 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -4.143 3.659 -12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -3.056 5.009 -12.825 1.00 0.00 H new ATOM 885 N LEU A 937 -2.020 5.447 -7.822 1.00 0.00 N ATOM 886 CA LEU A 937 -2.573 5.930 -6.561 1.00 0.00 C ATOM 887 C LEU A 937 -2.147 7.371 -6.296 1.00 0.00 C ATOM 888 O LEU A 937 -0.958 7.687 -6.305 1.00 0.00 O ATOM 889 CB LEU A 937 -2.123 5.033 -5.407 1.00 0.00 C ATOM 890 CG LEU A 937 -2.207 3.527 -5.656 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.375 2.769 -4.633 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.655 3.059 -5.621 1.00 0.00 C ATOM 0 H LEU A 937 -1.306 4.726 -7.720 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.660 5.899 -6.634 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -1.091 5.283 -5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.727 5.271 -4.532 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.804 3.320 -6.647 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.447 1.699 -4.826 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.333 3.082 -4.707 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -1.747 2.983 -3.631 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.695 1.985 -5.800 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.085 3.280 -4.644 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.224 3.577 -6.393 1.00 0.00 H new ATOM 904 N GLU A 938 -3.126 8.238 -6.059 1.00 0.00 N ATOM 905 CA GLU A 938 -2.851 9.645 -5.790 1.00 0.00 C ATOM 906 C GLU A 938 -2.335 9.836 -4.367 1.00 0.00 C ATOM 907 O GLU A 938 -2.689 9.082 -3.461 1.00 0.00 O ATOM 908 CB GLU A 938 -4.113 10.484 -6.003 1.00 0.00 C ATOM 909 CG GLU A 938 -5.072 10.451 -4.825 1.00 0.00 C ATOM 910 CD GLU A 938 -6.340 11.241 -5.083 1.00 0.00 C ATOM 911 OE1 GLU A 938 -6.303 12.482 -4.954 1.00 0.00 O ATOM 912 OE2 GLU A 938 -7.370 10.617 -5.415 1.00 0.00 O ATOM 0 H GLU A 938 -4.116 7.992 -6.048 1.00 0.00 H new ATOM 0 HA GLU A 938 -2.080 9.977 -6.485 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.824 11.517 -6.196 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.631 10.126 -6.893 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.332 9.416 -4.602 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.572 10.851 -3.943 1.00 0.00 H new ATOM 919 N ARG A 939 -1.495 10.848 -4.180 1.00 0.00 N ATOM 920 CA ARG A 939 -0.927 11.138 -2.868 1.00 0.00 C ATOM 921 C ARG A 939 -1.941 10.856 -1.763 1.00 0.00 C ATOM 922 O ARG A 939 -1.633 10.179 -0.783 1.00 0.00 O ATOM 923 CB ARG A 939 -0.471 12.596 -2.797 1.00 0.00 C ATOM 924 CG ARG A 939 0.677 12.921 -3.738 1.00 0.00 C ATOM 925 CD ARG A 939 0.987 14.410 -3.744 1.00 0.00 C ATOM 926 NE ARG A 939 0.086 15.153 -4.621 1.00 0.00 N ATOM 927 CZ ARG A 939 0.259 16.431 -4.940 1.00 0.00 C ATOM 928 NH1 ARG A 939 1.294 17.104 -4.457 1.00 0.00 N ATOM 929 NH2 ARG A 939 -0.605 17.038 -5.744 1.00 0.00 N ATOM 0 H ARG A 939 -1.192 11.481 -4.920 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.065 10.488 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 939 -1.316 13.244 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 939 -0.168 12.824 -1.775 1.00 0.00 H new ATOM 0 HG2 ARG A 939 1.565 12.365 -3.437 1.00 0.00 H new ATOM 0 HG3 ARG A 939 0.425 12.597 -4.748 1.00 0.00 H new ATOM 0 HD2 ARG A 939 0.909 14.801 -2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 939 2.017 14.565 -4.067 1.00 0.00 H new ATOM 0 HE ARG A 939 -0.720 14.664 -5.010 1.00 0.00 H new ATOM 0 HH11 ARG A 939 1.960 16.641 -3.839 1.00 0.00 H new ATOM 0 HH12 ARG A 939 1.424 18.085 -4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 939 -1.403 16.523 -6.117 1.00 0.00 H new ATOM 0 HH22 ARG A 939 -0.472 18.019 -5.988 1.00 0.00 H new ATOM 943 N GLU A 940 -3.151 11.381 -1.929 1.00 0.00 N ATOM 944 CA GLU A 940 -4.209 11.187 -0.945 1.00 0.00 C ATOM 945 C GLU A 940 -4.483 9.702 -0.726 1.00 0.00 C ATOM 946 O GLU A 940 -4.554 9.235 0.411 1.00 0.00 O ATOM 947 CB GLU A 940 -5.491 11.891 -1.396 1.00 0.00 C ATOM 948 CG GLU A 940 -5.527 13.370 -1.049 1.00 0.00 C ATOM 949 CD GLU A 940 -6.924 13.955 -1.130 1.00 0.00 C ATOM 950 OE1 GLU A 940 -7.756 13.627 -0.260 1.00 0.00 O ATOM 951 OE2 GLU A 940 -7.183 14.742 -2.065 1.00 0.00 O ATOM 0 H GLU A 940 -3.423 11.944 -2.735 1.00 0.00 H new ATOM 0 HA GLU A 940 -3.876 11.621 -0.002 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -5.598 11.777 -2.475 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -6.347 11.398 -0.937 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -5.135 13.513 -0.042 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -4.869 13.914 -1.727 1.00 0.00 H new ATOM 958 N GLU A 941 -4.635 8.966 -1.822 1.00 0.00 N ATOM 959 CA GLU A 941 -4.902 7.534 -1.749 1.00 0.00 C ATOM 960 C GLU A 941 -3.738 6.797 -1.092 1.00 0.00 C ATOM 961 O GLU A 941 -3.939 5.879 -0.296 1.00 0.00 O ATOM 962 CB GLU A 941 -5.155 6.968 -3.148 1.00 0.00 C ATOM 963 CG GLU A 941 -5.462 5.480 -3.156 1.00 0.00 C ATOM 964 CD GLU A 941 -6.766 5.150 -2.456 1.00 0.00 C ATOM 965 OE1 GLU A 941 -6.759 5.030 -1.213 1.00 0.00 O ATOM 966 OE2 GLU A 941 -7.795 5.013 -3.151 1.00 0.00 O ATOM 0 H GLU A 941 -4.578 9.337 -2.770 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.793 7.387 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -5.988 7.505 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -4.279 7.153 -3.770 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -5.508 5.128 -4.186 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -4.647 4.942 -2.671 1.00 0.00 H new ATOM 973 N LYS A 942 -2.520 7.204 -1.432 1.00 0.00 N ATOM 974 CA LYS A 942 -1.323 6.584 -0.877 1.00 0.00 C ATOM 975 C LYS A 942 -1.289 6.730 0.641 1.00 0.00 C ATOM 976 O LYS A 942 -1.160 5.743 1.365 1.00 0.00 O ATOM 977 CB LYS A 942 -0.068 7.213 -1.488 1.00 0.00 C ATOM 978 CG LYS A 942 0.250 6.703 -2.883 1.00 0.00 C ATOM 979 CD LYS A 942 1.618 7.170 -3.349 1.00 0.00 C ATOM 980 CE LYS A 942 1.918 6.693 -4.762 1.00 0.00 C ATOM 981 NZ LYS A 942 2.818 7.634 -5.486 1.00 0.00 N ATOM 0 H LYS A 942 -2.336 7.961 -2.090 1.00 0.00 H new ATOM 0 HA LYS A 942 -1.347 5.522 -1.122 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -0.196 8.295 -1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 942 0.782 7.015 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 942 0.215 5.614 -2.890 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.511 7.051 -3.581 1.00 0.00 H new ATOM 0 HD2 LYS A 942 1.664 8.258 -3.314 1.00 0.00 H new ATOM 0 HD3 LYS A 942 2.383 6.797 -2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 942 2.380 5.707 -4.722 1.00 0.00 H new ATOM 0 HE3 LYS A 942 0.985 6.585 -5.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 2.917 7.328 -6.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 2.413 8.592 -5.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 3.753 7.640 -5.030 1.00 0.00 H new ATOM 995 N GLU A 943 -1.408 7.966 1.116 1.00 0.00 N ATOM 996 CA GLU A 943 -1.392 8.238 2.548 1.00 0.00 C ATOM 997 C GLU A 943 -2.403 7.361 3.280 1.00 0.00 C ATOM 998 O GLU A 943 -2.077 6.715 4.276 1.00 0.00 O ATOM 999 CB GLU A 943 -1.694 9.715 2.812 1.00 0.00 C ATOM 1000 CG GLU A 943 -1.192 10.207 4.159 1.00 0.00 C ATOM 1001 CD GLU A 943 -1.590 11.643 4.441 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -0.822 12.556 4.072 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.671 11.853 5.030 1.00 0.00 O ATOM 0 H GLU A 943 -1.516 8.794 0.530 1.00 0.00 H new ATOM 0 HA GLU A 943 -0.396 8.005 2.925 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -1.242 10.316 2.023 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.771 9.873 2.755 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -1.585 9.564 4.946 1.00 0.00 H new ATOM 0 HG3 GLU A 943 -0.106 10.122 4.191 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.634 7.345 2.780 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.695 6.548 3.384 1.00 0.00 C ATOM 1012 C LYS A 944 -4.245 5.104 3.584 1.00 0.00 C ATOM 1013 O LYS A 944 -4.365 4.552 4.679 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.951 6.586 2.509 1.00 0.00 C ATOM 1015 CG LYS A 944 -7.185 6.024 3.193 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.769 7.012 4.189 1.00 0.00 C ATOM 1017 CE LYS A 944 -8.636 8.053 3.498 1.00 0.00 C ATOM 1018 NZ LYS A 944 -10.039 7.583 3.330 1.00 0.00 N ATOM 0 H LYS A 944 -3.922 7.875 1.958 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.926 6.976 4.359 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -6.147 7.617 2.214 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -5.764 6.023 1.595 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -7.936 5.775 2.443 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -6.927 5.098 3.706 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -8.363 6.476 4.929 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -6.961 7.509 4.727 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -8.629 8.975 4.079 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -8.212 8.288 2.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -10.598 8.321 2.855 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -10.048 6.717 2.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -10.452 7.383 4.263 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.727 4.499 2.521 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.257 3.119 2.581 1.00 0.00 C ATOM 1034 C LEU A 945 -2.202 2.949 3.669 1.00 0.00 C ATOM 1035 O LEU A 945 -2.346 2.116 4.564 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.683 2.696 1.227 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.704 2.389 0.132 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -3.029 2.344 -1.230 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.416 1.075 0.420 1.00 0.00 C ATOM 0 H LEU A 945 -3.622 4.941 1.608 1.00 0.00 H new ATOM 0 HA LEU A 945 -4.107 2.482 2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -2.025 3.488 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -2.064 1.811 1.378 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.447 3.187 0.120 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -3.772 2.124 -1.997 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -2.566 3.309 -1.439 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.265 1.567 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.139 0.872 -0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.686 0.267 0.460 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.933 1.144 1.377 1.00 0.00 H new ATOM 1051 N PHE A 946 -1.141 3.746 3.586 1.00 0.00 N ATOM 1052 CA PHE A 946 -0.062 3.686 4.565 1.00 0.00 C ATOM 1053 C PHE A 946 -0.616 3.681 5.987 1.00 0.00 C ATOM 1054 O PHE A 946 -0.317 2.787 6.777 1.00 0.00 O ATOM 1055 CB PHE A 946 0.890 4.869 4.380 1.00 0.00 C ATOM 1056 CG PHE A 946 1.953 4.955 5.437 1.00 0.00 C ATOM 1057 CD1 PHE A 946 3.057 4.118 5.398 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.849 5.872 6.471 1.00 0.00 C ATOM 1059 CE1 PHE A 946 4.037 4.194 6.370 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.826 5.953 7.445 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.921 5.112 7.395 1.00 0.00 C ATOM 0 H PHE A 946 -1.006 4.440 2.851 1.00 0.00 H new ATOM 0 HA PHE A 946 0.488 2.758 4.406 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.366 4.792 3.403 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.312 5.793 4.381 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.153 3.398 4.599 1.00 0.00 H new ATOM 0 HD2 PHE A 946 0.994 6.531 6.516 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.892 3.536 6.328 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.734 6.673 8.245 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.685 5.172 8.156 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.424 4.688 6.304 1.00 0.00 N ATOM 1072 CA ASN A 947 -2.019 4.801 7.630 1.00 0.00 C ATOM 1073 C ASN A 947 -2.660 3.483 8.053 1.00 0.00 C ATOM 1074 O ASN A 947 -2.401 2.979 9.146 1.00 0.00 O ATOM 1075 CB ASN A 947 -3.064 5.918 7.649 1.00 0.00 C ATOM 1076 CG ASN A 947 -2.447 7.284 7.883 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -1.557 7.440 8.719 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -2.918 8.281 7.143 1.00 0.00 N ATOM 0 H ASN A 947 -1.681 5.437 5.661 1.00 0.00 H new ATOM 0 HA ASN A 947 -1.226 5.042 8.337 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.603 5.923 6.702 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.796 5.714 8.431 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -2.541 9.222 7.256 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -3.657 8.106 6.462 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.497 2.931 7.180 1.00 0.00 N ATOM 1086 CA GLU A 948 -4.174 1.671 7.464 1.00 0.00 C ATOM 1087 C GLU A 948 -3.165 0.559 7.735 1.00 0.00 C ATOM 1088 O GLU A 948 -3.314 -0.212 8.684 1.00 0.00 O ATOM 1089 CB GLU A 948 -5.080 1.279 6.295 1.00 0.00 C ATOM 1090 CG GLU A 948 -6.386 2.055 6.250 1.00 0.00 C ATOM 1091 CD GLU A 948 -7.040 2.016 4.883 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -7.798 1.061 4.614 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -6.794 2.943 4.082 1.00 0.00 O ATOM 0 H GLU A 948 -3.722 3.336 6.271 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.784 1.809 8.357 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.541 1.436 5.360 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.302 0.214 6.360 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -7.074 1.645 6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.198 3.092 6.530 1.00 0.00 H new ATOM 1100 N HIS A 949 -2.138 0.483 6.895 1.00 0.00 N ATOM 1101 CA HIS A 949 -1.103 -0.535 7.043 1.00 0.00 C ATOM 1102 C HIS A 949 -0.535 -0.530 8.459 1.00 0.00 C ATOM 1103 O HIS A 949 -0.551 -1.550 9.147 1.00 0.00 O ATOM 1104 CB HIS A 949 0.018 -0.302 6.030 1.00 0.00 C ATOM 1105 CG HIS A 949 1.276 -1.051 6.347 1.00 0.00 C ATOM 1106 ND1 HIS A 949 1.302 -2.407 6.599 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.557 -0.627 6.450 1.00 0.00 C ATOM 1108 CE1 HIS A 949 2.544 -2.783 6.845 1.00 0.00 C ATOM 1109 NE2 HIS A 949 3.325 -1.722 6.761 1.00 0.00 N ATOM 0 H HIS A 949 -2.000 1.113 6.105 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.555 -1.509 6.856 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.331 -0.596 5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.241 0.764 5.986 1.00 0.00 H new ATOM 0 HD2 HIS A 949 2.910 0.385 6.313 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.866 -3.788 7.076 1.00 0.00 H new ATOM 0 HE2 HIS A 949 4.335 -1.716 6.904 1.00 0.00 H new ATOM 1117 N ILE A 950 -0.033 0.624 8.886 1.00 0.00 N ATOM 1118 CA ILE A 950 0.539 0.761 10.219 1.00 0.00 C ATOM 1119 C ILE A 950 -0.425 0.254 11.286 1.00 0.00 C ATOM 1120 O ILE A 950 -0.059 -0.563 12.129 1.00 0.00 O ATOM 1121 CB ILE A 950 0.905 2.225 10.527 1.00 0.00 C ATOM 1122 CG1 ILE A 950 1.781 2.800 9.412 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.615 2.322 11.869 1.00 0.00 C ATOM 1124 CD1 ILE A 950 3.040 2.000 9.159 1.00 0.00 C ATOM 0 H ILE A 950 -0.011 1.477 8.328 1.00 0.00 H new ATOM 0 HA ILE A 950 1.446 0.157 10.236 1.00 0.00 H new ATOM 0 HB ILE A 950 -0.013 2.810 10.580 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.199 2.847 8.492 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.056 3.823 9.668 1.00 0.00 H new ATOM 0 HG21 ILE A 950 1.867 3.363 12.073 1.00 0.00 H new ATOM 0 HG22 ILE A 950 0.960 1.947 12.655 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.527 1.726 11.842 1.00 0.00 H new ATOM 0 HD11 ILE A 950 3.612 2.466 8.356 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.643 1.974 10.066 1.00 0.00 H new ATOM 0 HD13 ILE A 950 2.773 0.983 8.872 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.660 0.745 11.241 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.678 0.341 12.204 1.00 0.00 C ATOM 1138 C GLU A 951 -2.890 -1.170 12.169 1.00 0.00 C ATOM 1139 O GLU A 951 -3.023 -1.813 13.209 1.00 0.00 O ATOM 1140 CB GLU A 951 -3.998 1.060 11.916 1.00 0.00 C ATOM 1141 CG GLU A 951 -3.941 2.558 12.162 1.00 0.00 C ATOM 1142 CD GLU A 951 -3.937 2.907 13.638 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -5.028 2.925 14.246 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -2.844 3.162 14.185 1.00 0.00 O ATOM 0 H GLU A 951 -1.979 1.422 10.549 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.331 0.619 13.199 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -4.281 0.881 10.879 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -4.781 0.628 12.539 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -3.045 2.966 11.694 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -4.796 3.034 11.682 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.922 -1.729 10.964 1.00 0.00 N ATOM 1152 CA ALA A 952 -3.117 -3.163 10.792 1.00 0.00 C ATOM 1153 C ALA A 952 -2.022 -3.955 11.499 1.00 0.00 C ATOM 1154 O ALA A 952 -2.299 -4.930 12.199 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.156 -3.518 9.313 1.00 0.00 C ATOM 0 H ALA A 952 -2.815 -1.210 10.092 1.00 0.00 H new ATOM 0 HA ALA A 952 -4.072 -3.431 11.244 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.302 -4.592 9.200 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -3.978 -2.988 8.833 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.215 -3.229 8.844 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.777 -3.530 11.312 1.00 0.00 N ATOM 1162 CA LEU A 953 0.361 -4.200 11.932 1.00 0.00 C ATOM 1163 C LEU A 953 0.075 -4.517 13.396 1.00 0.00 C ATOM 1164 O LEU A 953 -0.039 -5.681 13.780 1.00 0.00 O ATOM 1165 CB LEU A 953 1.613 -3.328 11.821 1.00 0.00 C ATOM 1166 CG LEU A 953 2.249 -3.239 10.434 1.00 0.00 C ATOM 1167 CD1 LEU A 953 3.335 -2.175 10.411 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.815 -4.590 10.019 1.00 0.00 C ATOM 0 H LEU A 953 -0.530 -2.725 10.736 1.00 0.00 H new ATOM 0 HA LEU A 953 0.531 -5.138 11.404 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.359 -2.320 12.147 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.360 -3.710 12.517 1.00 0.00 H new ATOM 0 HG LEU A 953 1.476 -2.955 9.719 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.776 -2.127 9.415 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.902 -1.207 10.663 1.00 0.00 H new ATOM 0 HD13 LEU A 953 4.107 -2.427 11.138 1.00 0.00 H new ATOM 0 HD21 LEU A 953 3.264 -4.508 9.029 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.574 -4.903 10.737 1.00 0.00 H new ATOM 0 HD23 LEU A 953 2.013 -5.328 9.994 1.00 0.00 H new ATOM 1180 N THR A 954 -0.041 -3.472 14.210 1.00 0.00 N ATOM 1181 CA THR A 954 -0.315 -3.638 15.632 1.00 0.00 C ATOM 1182 C THR A 954 -1.547 -4.507 15.857 1.00 0.00 C ATOM 1183 O THR A 954 -1.513 -5.460 16.636 1.00 0.00 O ATOM 1184 CB THR A 954 -0.526 -2.279 16.326 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.689 -1.634 15.797 1.00 0.00 O ATOM 1186 CG2 THR A 954 0.688 -1.381 16.138 1.00 0.00 C ATOM 0 H THR A 954 0.051 -2.502 13.909 1.00 0.00 H new ATOM 0 HA THR A 954 0.556 -4.128 16.066 1.00 0.00 H new ATOM 0 HB THR A 954 -0.664 -2.458 17.392 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.899 -2.009 14.916 1.00 0.00 H new ATOM 0 HG21 THR A 954 0.516 -0.427 16.637 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.566 -1.862 16.568 1.00 0.00 H new ATOM 0 HG23 THR A 954 0.853 -1.210 15.074 1.00 0.00 H new