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 Set 1.1: A 908 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 949 HIS : no HD1:sc= -4.81! C(o=-4.8!,f=-7.2!) USER MOD Single : A 901 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.22) USER MOD Single : A 902 ASN : amide:sc= -0.265 K(o=-0.27,f=-1.3!) USER MOD Single : A 904 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0857) USER MOD Single : A 910 MET CE :methyl -166:sc=-0.00684 (180deg=-0.267) 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 154:sc= 1.45 USER MOD Single : A 924 THR OG1 : rot 78:sc= 1.22 USER MOD Single : A 927 LYS NZ :NH3+ -163:sc= -0.865 (180deg=-1.8!) USER MOD Single : A 929 HIS : no HD1:sc= -0.232 X(o=-0.23,f=-0.58) USER MOD Single : A 933 SER OG : rot 180:sc=0.000251 USER MOD Single : A 935 SER OG : rot 89:sc= 0.285 USER MOD Single : A 942 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc= -0.0162 K(o=-0.016,f=-1.8!) USER MOD Single : A 954 THR OG1 : rot -46:sc= 0.914 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -5.815 -0.324 -12.344 1.00 0.00 N ATOM 213 CA ARG A 896 -5.476 0.282 -11.062 1.00 0.00 C ATOM 214 C ARG A 896 -5.462 -0.764 -9.952 1.00 0.00 C ATOM 215 O ARG A 896 -4.568 -0.773 -9.106 1.00 0.00 O ATOM 216 CB ARG A 896 -6.472 1.392 -10.719 1.00 0.00 C ATOM 217 CG ARG A 896 -6.261 1.995 -9.340 1.00 0.00 C ATOM 218 CD ARG A 896 -7.284 3.080 -9.044 1.00 0.00 C ATOM 219 NE ARG A 896 -8.639 2.542 -8.945 1.00 0.00 N ATOM 220 CZ ARG A 896 -9.430 2.346 -9.993 1.00 0.00 C ATOM 221 NH1 ARG A 896 -9.004 2.641 -11.214 1.00 0.00 N ATOM 222 NH2 ARG A 896 -10.650 1.853 -9.822 1.00 0.00 N ATOM 0 HA ARG A 896 -4.478 0.711 -11.145 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -6.395 2.181 -11.467 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -7.484 0.992 -10.780 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -6.331 1.212 -8.585 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.256 2.413 -9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -7.023 3.579 -8.111 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -7.250 3.835 -9.830 1.00 0.00 H new ATOM 0 HE ARG A 896 -8.997 2.304 -8.020 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -8.067 3.019 -11.350 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -9.614 2.489 -12.017 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -10.981 1.624 -8.885 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -11.257 1.703 -10.628 1.00 0.00 H new ATOM 236 N GLU A 897 -6.458 -1.644 -9.962 1.00 0.00 N ATOM 237 CA GLU A 897 -6.560 -2.694 -8.955 1.00 0.00 C ATOM 238 C GLU A 897 -5.182 -3.247 -8.604 1.00 0.00 C ATOM 239 O GLU A 897 -4.776 -3.239 -7.443 1.00 0.00 O ATOM 240 CB GLU A 897 -7.463 -3.824 -9.454 1.00 0.00 C ATOM 241 CG GLU A 897 -8.946 -3.520 -9.324 1.00 0.00 C ATOM 242 CD GLU A 897 -9.322 -2.180 -9.927 1.00 0.00 C ATOM 243 OE1 GLU A 897 -9.555 -2.126 -11.152 1.00 0.00 O ATOM 244 OE2 GLU A 897 -9.382 -1.186 -9.173 1.00 0.00 O ATOM 0 H GLU A 897 -7.206 -1.651 -10.656 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.997 -2.259 -8.056 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.233 -4.027 -10.500 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -7.237 -4.732 -8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -9.519 -4.308 -9.813 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.224 -3.531 -8.270 1.00 0.00 H new ATOM 251 N GLU A 898 -4.468 -3.727 -9.618 1.00 0.00 N ATOM 252 CA GLU A 898 -3.136 -4.286 -9.416 1.00 0.00 C ATOM 253 C GLU A 898 -2.272 -3.345 -8.580 1.00 0.00 C ATOM 254 O GLU A 898 -1.633 -3.764 -7.617 1.00 0.00 O ATOM 255 CB GLU A 898 -2.461 -4.553 -10.763 1.00 0.00 C ATOM 256 CG GLU A 898 -2.742 -5.939 -11.320 1.00 0.00 C ATOM 257 CD GLU A 898 -4.105 -6.039 -11.976 1.00 0.00 C ATOM 258 OE1 GLU A 898 -5.110 -5.716 -11.308 1.00 0.00 O ATOM 259 OE2 GLU A 898 -4.168 -6.440 -13.157 1.00 0.00 O ATOM 0 H GLU A 898 -4.789 -3.740 -10.586 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.243 -5.228 -8.878 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -2.797 -3.806 -11.483 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -1.384 -4.427 -10.652 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -1.973 -6.197 -12.048 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -2.676 -6.670 -10.514 1.00 0.00 H new ATOM 266 N ALA A 899 -2.259 -2.071 -8.958 1.00 0.00 N ATOM 267 CA ALA A 899 -1.477 -1.070 -8.244 1.00 0.00 C ATOM 268 C ALA A 899 -1.858 -1.025 -6.768 1.00 0.00 C ATOM 269 O ALA A 899 -0.992 -0.956 -5.896 1.00 0.00 O ATOM 270 CB ALA A 899 -1.662 0.299 -8.881 1.00 0.00 C ATOM 0 H ALA A 899 -2.782 -1.708 -9.755 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.426 -1.351 -8.312 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.072 1.036 -8.337 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.332 0.265 -9.919 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.715 0.578 -8.844 1.00 0.00 H new ATOM 276 N ILE A 900 -3.158 -1.064 -6.497 1.00 0.00 N ATOM 277 CA ILE A 900 -3.653 -1.028 -5.127 1.00 0.00 C ATOM 278 C ILE A 900 -3.079 -2.176 -4.304 1.00 0.00 C ATOM 279 O ILE A 900 -2.329 -1.957 -3.353 1.00 0.00 O ATOM 280 CB ILE A 900 -5.191 -1.098 -5.082 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.800 0.131 -5.761 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.674 -1.208 -3.643 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.300 0.045 -5.932 1.00 0.00 C ATOM 0 H ILE A 900 -3.887 -1.121 -7.208 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.328 -0.080 -4.699 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.515 -1.987 -5.623 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.560 1.017 -5.174 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.338 0.262 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.763 -1.257 -3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.264 -2.110 -3.190 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.342 -0.336 -3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.663 0.950 -6.420 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.547 -0.822 -6.545 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.772 -0.055 -4.955 1.00 0.00 H new ATOM 295 N GLN A 901 -3.435 -3.401 -4.678 1.00 0.00 N ATOM 296 CA GLN A 901 -2.954 -4.584 -3.976 1.00 0.00 C ATOM 297 C GLN A 901 -1.430 -4.596 -3.909 1.00 0.00 C ATOM 298 O GLN A 901 -0.847 -4.828 -2.851 1.00 0.00 O ATOM 299 CB GLN A 901 -3.455 -5.853 -4.667 1.00 0.00 C ATOM 300 CG GLN A 901 -4.960 -6.045 -4.568 1.00 0.00 C ATOM 301 CD GLN A 901 -5.457 -6.032 -3.136 1.00 0.00 C ATOM 302 OE1 GLN A 901 -4.906 -6.711 -2.269 1.00 0.00 O ATOM 303 NE2 GLN A 901 -6.504 -5.256 -2.880 1.00 0.00 N ATOM 0 H GLN A 901 -4.055 -3.599 -5.463 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.344 -4.554 -2.959 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -3.169 -5.821 -5.718 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.957 -6.717 -4.227 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -5.461 -5.256 -5.130 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -5.233 -6.991 -5.035 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -6.930 -4.710 -3.629 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -6.883 -5.206 -1.934 1.00 0.00 H new ATOM 312 N ASN A 902 -0.791 -4.343 -5.047 1.00 0.00 N ATOM 313 CA ASN A 902 0.665 -4.326 -5.118 1.00 0.00 C ATOM 314 C ASN A 902 1.247 -3.331 -4.118 1.00 0.00 C ATOM 315 O ASN A 902 2.264 -3.599 -3.478 1.00 0.00 O ATOM 316 CB ASN A 902 1.123 -3.970 -6.534 1.00 0.00 C ATOM 317 CG ASN A 902 1.036 -5.149 -7.483 1.00 0.00 C ATOM 318 OD1 ASN A 902 1.239 -6.296 -7.086 1.00 0.00 O ATOM 319 ND2 ASN A 902 0.734 -4.871 -8.746 1.00 0.00 N ATOM 0 H ASN A 902 -1.259 -4.147 -5.932 1.00 0.00 H new ATOM 0 HA ASN A 902 1.028 -5.322 -4.865 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.511 -3.153 -6.916 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.151 -3.609 -6.501 1.00 0.00 H new ATOM 0 HD21 ASN A 902 0.662 -5.624 -9.431 1.00 0.00 H new ATOM 0 HD22 ASN A 902 0.574 -3.905 -9.031 1.00 0.00 H new ATOM 326 N PHE A 903 0.594 -2.180 -3.989 1.00 0.00 N ATOM 327 CA PHE A 903 1.046 -1.144 -3.068 1.00 0.00 C ATOM 328 C PHE A 903 1.072 -1.665 -1.634 1.00 0.00 C ATOM 329 O PHE A 903 2.096 -1.595 -0.953 1.00 0.00 O ATOM 330 CB PHE A 903 0.136 0.082 -3.160 1.00 0.00 C ATOM 331 CG PHE A 903 0.737 1.321 -2.560 1.00 0.00 C ATOM 332 CD1 PHE A 903 1.592 2.121 -3.302 1.00 0.00 C ATOM 333 CD2 PHE A 903 0.448 1.686 -1.255 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.146 3.262 -2.753 1.00 0.00 C ATOM 335 CE2 PHE A 903 0.999 2.826 -0.701 1.00 0.00 C ATOM 336 CZ PHE A 903 1.850 3.614 -1.451 1.00 0.00 C ATOM 0 H PHE A 903 -0.250 -1.942 -4.511 1.00 0.00 H new ATOM 0 HA PHE A 903 2.059 -0.858 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 903 -0.099 0.272 -4.207 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.806 -0.136 -2.656 1.00 0.00 H new ATOM 0 HD1 PHE A 903 1.828 1.850 -4.320 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.216 1.072 -0.664 1.00 0.00 H new ATOM 0 HE1 PHE A 903 2.810 3.878 -3.342 1.00 0.00 H new ATOM 0 HE2 PHE A 903 0.764 3.100 0.317 1.00 0.00 H new ATOM 0 HZ PHE A 903 2.283 4.504 -1.020 1.00 0.00 H new ATOM 346 N LYS A 904 -0.062 -2.188 -1.180 1.00 0.00 N ATOM 347 CA LYS A 904 -0.172 -2.722 0.172 1.00 0.00 C ATOM 348 C LYS A 904 0.970 -3.688 0.470 1.00 0.00 C ATOM 349 O LYS A 904 1.646 -3.568 1.491 1.00 0.00 O ATOM 350 CB LYS A 904 -1.516 -3.433 0.354 1.00 0.00 C ATOM 351 CG LYS A 904 -2.664 -2.490 0.671 1.00 0.00 C ATOM 352 CD LYS A 904 -3.304 -1.947 -0.595 1.00 0.00 C ATOM 353 CE LYS A 904 -4.778 -1.635 -0.385 1.00 0.00 C ATOM 354 NZ LYS A 904 -5.628 -2.849 -0.527 1.00 0.00 N ATOM 0 H LYS A 904 -0.919 -2.253 -1.730 1.00 0.00 H new ATOM 0 HA LYS A 904 -0.111 -1.888 0.871 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.751 -3.986 -0.555 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.425 -4.164 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -3.414 -3.014 1.263 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.299 -1.662 1.279 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -2.781 -1.044 -0.910 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -3.196 -2.675 -1.399 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -4.921 -1.206 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -5.096 -0.883 -1.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -6.629 -2.570 -0.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -5.376 -3.349 -1.404 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -5.473 -3.478 0.287 1.00 0.00 H new ATOM 368 N ALA A 905 1.180 -4.644 -0.429 1.00 0.00 N ATOM 369 CA ALA A 905 2.243 -5.628 -0.264 1.00 0.00 C ATOM 370 C ALA A 905 3.604 -4.951 -0.147 1.00 0.00 C ATOM 371 O ALA A 905 4.467 -5.397 0.610 1.00 0.00 O ATOM 372 CB ALA A 905 2.237 -6.611 -1.425 1.00 0.00 C ATOM 0 H ALA A 905 0.628 -4.758 -1.279 1.00 0.00 H new ATOM 0 HA ALA A 905 2.058 -6.175 0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 905 3.036 -7.340 -1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.277 -7.127 -1.460 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.394 -6.072 -2.359 1.00 0.00 H new ATOM 378 N LEU A 906 3.791 -3.875 -0.902 1.00 0.00 N ATOM 379 CA LEU A 906 5.049 -3.136 -0.884 1.00 0.00 C ATOM 380 C LEU A 906 5.257 -2.448 0.461 1.00 0.00 C ATOM 381 O LEU A 906 6.387 -2.309 0.931 1.00 0.00 O ATOM 382 CB LEU A 906 5.070 -2.099 -2.009 1.00 0.00 C ATOM 383 CG LEU A 906 6.202 -1.072 -1.953 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.519 -1.706 -2.373 1.00 0.00 C ATOM 385 CD2 LEU A 906 5.879 0.125 -2.835 1.00 0.00 C ATOM 0 H LEU A 906 3.088 -3.494 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 906 5.862 -3.846 -1.037 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.131 -2.626 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.120 -1.564 -2.001 1.00 0.00 H new ATOM 0 HG LEU A 906 6.302 -0.724 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.313 -0.960 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.756 -2.531 -1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.433 -2.082 -3.392 1.00 0.00 H new ATOM 0 HD21 LEU A 906 6.695 0.846 -2.783 1.00 0.00 H new ATOM 0 HD22 LEU A 906 5.752 -0.206 -3.866 1.00 0.00 H new ATOM 0 HD23 LEU A 906 4.958 0.594 -2.489 1.00 0.00 H new ATOM 397 N LEU A 907 4.160 -2.021 1.077 1.00 0.00 N ATOM 398 CA LEU A 907 4.222 -1.349 2.371 1.00 0.00 C ATOM 399 C LEU A 907 4.639 -2.321 3.470 1.00 0.00 C ATOM 400 O LEU A 907 5.459 -1.989 4.326 1.00 0.00 O ATOM 401 CB LEU A 907 2.865 -0.729 2.711 1.00 0.00 C ATOM 402 CG LEU A 907 2.451 0.481 1.873 1.00 0.00 C ATOM 403 CD1 LEU A 907 0.953 0.717 1.981 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.221 1.719 2.308 1.00 0.00 C ATOM 0 H LEU A 907 3.218 -2.128 0.702 1.00 0.00 H new ATOM 0 HA LEU A 907 4.970 -0.559 2.307 1.00 0.00 H new ATOM 0 HB2 LEU A 907 2.100 -1.498 2.605 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.876 -0.433 3.760 1.00 0.00 H new ATOM 0 HG LEU A 907 2.691 0.276 0.830 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.677 1.582 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.419 -0.162 1.620 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.688 0.901 3.022 1.00 0.00 H new ATOM 0 HD21 LEU A 907 2.914 2.571 1.701 1.00 0.00 H new ATOM 0 HD22 LEU A 907 3.012 1.927 3.357 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.289 1.547 2.178 1.00 0.00 H new ATOM 416 N SER A 908 4.072 -3.522 3.437 1.00 0.00 N ATOM 417 CA SER A 908 4.385 -4.542 4.431 1.00 0.00 C ATOM 418 C SER A 908 5.763 -5.144 4.178 1.00 0.00 C ATOM 419 O SER A 908 6.449 -5.568 5.108 1.00 0.00 O ATOM 420 CB SER A 908 3.323 -5.644 4.413 1.00 0.00 C ATOM 421 OG SER A 908 3.540 -6.578 5.456 1.00 0.00 O ATOM 0 H SER A 908 3.394 -3.813 2.733 1.00 0.00 H new ATOM 0 HA SER A 908 4.391 -4.068 5.412 1.00 0.00 H new ATOM 0 HB2 SER A 908 2.333 -5.201 4.518 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.343 -6.157 3.451 1.00 0.00 H new ATOM 0 HG SER A 908 2.848 -7.271 5.424 1.00 0.00 H new ATOM 427 N ASP A 909 6.163 -5.178 2.911 1.00 0.00 N ATOM 428 CA ASP A 909 7.460 -5.726 2.533 1.00 0.00 C ATOM 429 C ASP A 909 8.592 -4.811 2.991 1.00 0.00 C ATOM 430 O ASP A 909 9.612 -5.275 3.499 1.00 0.00 O ATOM 431 CB ASP A 909 7.531 -5.927 1.019 1.00 0.00 C ATOM 432 CG ASP A 909 8.496 -7.029 0.625 1.00 0.00 C ATOM 433 OD1 ASP A 909 9.526 -7.188 1.312 1.00 0.00 O ATOM 434 OD2 ASP A 909 8.221 -7.731 -0.370 1.00 0.00 O ATOM 0 H ASP A 909 5.607 -4.832 2.129 1.00 0.00 H new ATOM 0 HA ASP A 909 7.576 -6.691 3.026 1.00 0.00 H new ATOM 0 HB2 ASP A 909 6.537 -6.166 0.640 1.00 0.00 H new ATOM 0 HB3 ASP A 909 7.837 -4.994 0.546 1.00 0.00 H new ATOM 439 N MET A 910 8.403 -3.508 2.807 1.00 0.00 N ATOM 440 CA MET A 910 9.409 -2.528 3.201 1.00 0.00 C ATOM 441 C MET A 910 9.105 -1.966 4.586 1.00 0.00 C ATOM 442 O MET A 910 9.890 -2.132 5.520 1.00 0.00 O ATOM 443 CB MET A 910 9.472 -1.391 2.179 1.00 0.00 C ATOM 444 CG MET A 910 9.363 -1.863 0.738 1.00 0.00 C ATOM 445 SD MET A 910 10.900 -2.577 0.123 1.00 0.00 S ATOM 446 CE MET A 910 11.612 -1.169 -0.724 1.00 0.00 C ATOM 0 H MET A 910 7.564 -3.107 2.388 1.00 0.00 H new ATOM 0 HA MET A 910 10.376 -3.030 3.235 1.00 0.00 H new ATOM 0 HB2 MET A 910 8.667 -0.685 2.383 1.00 0.00 H new ATOM 0 HB3 MET A 910 10.410 -0.851 2.306 1.00 0.00 H new ATOM 0 HG2 MET A 910 8.567 -2.603 0.662 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.078 -1.023 0.105 1.00 0.00 H new ATOM 0 HE1 MET A 910 12.431 -1.504 -1.361 1.00 0.00 H new ATOM 0 HE2 MET A 910 10.849 -0.688 -1.336 1.00 0.00 H new ATOM 0 HE3 MET A 910 11.991 -0.457 0.009 1.00 0.00 H new ATOM 456 N VAL A 911 7.962 -1.299 4.712 1.00 0.00 N ATOM 457 CA VAL A 911 7.555 -0.713 5.984 1.00 0.00 C ATOM 458 C VAL A 911 6.882 -1.750 6.876 1.00 0.00 C ATOM 459 O VAL A 911 5.756 -1.552 7.333 1.00 0.00 O ATOM 460 CB VAL A 911 6.593 0.471 5.774 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.559 1.357 7.009 1.00 0.00 C ATOM 462 CG2 VAL A 911 6.994 1.271 4.544 1.00 0.00 C ATOM 0 H VAL A 911 7.302 -1.151 3.949 1.00 0.00 H new ATOM 0 HA VAL A 911 8.461 -0.353 6.471 1.00 0.00 H new ATOM 0 HB VAL A 911 5.590 0.077 5.612 1.00 0.00 H new ATOM 0 HG11 VAL A 911 5.874 2.188 6.842 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.220 0.774 7.866 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.558 1.745 7.206 1.00 0.00 H new ATOM 0 HG21 VAL A 911 6.304 2.104 4.411 1.00 0.00 H new ATOM 0 HG22 VAL A 911 8.006 1.656 4.674 1.00 0.00 H new ATOM 0 HG23 VAL A 911 6.961 0.628 3.665 1.00 0.00 H new ATOM 472 N ARG A 912 7.579 -2.855 7.121 1.00 0.00 N ATOM 473 CA ARG A 912 7.047 -3.923 7.958 1.00 0.00 C ATOM 474 C ARG A 912 6.847 -3.442 9.392 1.00 0.00 C ATOM 475 O ARG A 912 6.077 -4.029 10.153 1.00 0.00 O ATOM 476 CB ARG A 912 7.989 -5.129 7.941 1.00 0.00 C ATOM 477 CG ARG A 912 9.210 -4.962 8.829 1.00 0.00 C ATOM 478 CD ARG A 912 10.345 -5.876 8.395 1.00 0.00 C ATOM 479 NE ARG A 912 11.318 -6.086 9.464 1.00 0.00 N ATOM 480 CZ ARG A 912 12.112 -7.149 9.535 1.00 0.00 C ATOM 481 NH1 ARG A 912 12.050 -8.091 8.605 1.00 0.00 N ATOM 482 NH2 ARG A 912 12.972 -7.269 10.539 1.00 0.00 N ATOM 0 H ARG A 912 8.513 -3.034 6.752 1.00 0.00 H new ATOM 0 HA ARG A 912 6.079 -4.219 7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 912 7.438 -6.014 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 912 8.317 -5.308 6.917 1.00 0.00 H new ATOM 0 HG2 ARG A 912 9.545 -3.925 8.798 1.00 0.00 H new ATOM 0 HG3 ARG A 912 8.942 -5.179 9.863 1.00 0.00 H new ATOM 0 HD2 ARG A 912 9.937 -6.837 8.082 1.00 0.00 H new ATOM 0 HD3 ARG A 912 10.846 -5.445 7.528 1.00 0.00 H new ATOM 0 HE ARG A 912 11.392 -5.379 10.195 1.00 0.00 H new ATOM 0 HH11 ARG A 912 11.391 -8.001 7.831 1.00 0.00 H new ATOM 0 HH12 ARG A 912 12.661 -8.906 8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 912 13.023 -6.545 11.256 1.00 0.00 H new ATOM 0 HH22 ARG A 912 13.582 -8.085 10.594 1.00 0.00 H new ATOM 496 N SER A 913 7.545 -2.370 9.754 1.00 0.00 N ATOM 497 CA SER A 913 7.447 -1.812 11.098 1.00 0.00 C ATOM 498 C SER A 913 6.256 -0.864 11.207 1.00 0.00 C ATOM 499 O SER A 913 5.661 -0.480 10.201 1.00 0.00 O ATOM 500 CB SER A 913 8.737 -1.073 11.461 1.00 0.00 C ATOM 501 OG SER A 913 9.692 -1.958 12.019 1.00 0.00 O ATOM 0 H SER A 913 8.184 -1.871 9.136 1.00 0.00 H new ATOM 0 HA SER A 913 7.299 -2.635 11.797 1.00 0.00 H new ATOM 0 HB2 SER A 913 9.152 -0.600 10.571 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.516 -0.277 12.172 1.00 0.00 H new ATOM 0 HG SER A 913 10.508 -1.462 12.241 1.00 0.00 H new ATOM 507 N SER A 914 5.915 -0.493 12.437 1.00 0.00 N ATOM 508 CA SER A 914 4.793 0.407 12.679 1.00 0.00 C ATOM 509 C SER A 914 5.240 1.631 13.474 1.00 0.00 C ATOM 510 O SER A 914 4.415 2.406 13.957 1.00 0.00 O ATOM 511 CB SER A 914 3.680 -0.324 13.431 1.00 0.00 C ATOM 512 OG SER A 914 4.131 -0.780 14.695 1.00 0.00 O ATOM 0 H SER A 914 6.399 -0.801 13.280 1.00 0.00 H new ATOM 0 HA SER A 914 4.412 0.741 11.714 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.828 0.343 13.565 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.332 -1.170 12.839 1.00 0.00 H new ATOM 0 HG SER A 914 3.459 -1.375 15.087 1.00 0.00 H new ATOM 518 N ASP A 915 6.552 1.797 13.604 1.00 0.00 N ATOM 519 CA ASP A 915 7.110 2.926 14.338 1.00 0.00 C ATOM 520 C ASP A 915 7.822 3.890 13.393 1.00 0.00 C ATOM 521 O ASP A 915 8.861 4.456 13.735 1.00 0.00 O ATOM 522 CB ASP A 915 8.081 2.434 15.412 1.00 0.00 C ATOM 523 CG ASP A 915 7.369 1.789 16.585 1.00 0.00 C ATOM 524 OD1 ASP A 915 6.498 2.451 17.187 1.00 0.00 O ATOM 525 OD2 ASP A 915 7.683 0.622 16.900 1.00 0.00 O ATOM 0 H ASP A 915 7.248 1.164 13.211 1.00 0.00 H new ATOM 0 HA ASP A 915 6.288 3.457 14.819 1.00 0.00 H new ATOM 0 HB2 ASP A 915 8.772 1.716 14.971 1.00 0.00 H new ATOM 0 HB3 ASP A 915 8.678 3.273 15.770 1.00 0.00 H new ATOM 530 N VAL A 916 7.258 4.070 12.204 1.00 0.00 N ATOM 531 CA VAL A 916 7.839 4.964 11.209 1.00 0.00 C ATOM 532 C VAL A 916 6.904 6.131 10.907 1.00 0.00 C ATOM 533 O VAL A 916 5.784 6.189 11.414 1.00 0.00 O ATOM 534 CB VAL A 916 8.152 4.219 9.898 1.00 0.00 C ATOM 535 CG1 VAL A 916 8.984 2.977 10.176 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.866 3.857 9.171 1.00 0.00 C ATOM 0 H VAL A 916 6.399 3.609 11.905 1.00 0.00 H new ATOM 0 HA VAL A 916 8.769 5.346 11.631 1.00 0.00 H new ATOM 0 HB VAL A 916 8.733 4.880 9.254 1.00 0.00 H new ATOM 0 HG11 VAL A 916 9.196 2.463 9.238 1.00 0.00 H new ATOM 0 HG12 VAL A 916 9.922 3.266 10.651 1.00 0.00 H new ATOM 0 HG13 VAL A 916 8.432 2.310 10.838 1.00 0.00 H new ATOM 0 HG21 VAL A 916 7.106 3.331 8.247 1.00 0.00 H new ATOM 0 HG22 VAL A 916 6.257 3.214 9.807 1.00 0.00 H new ATOM 0 HG23 VAL A 916 6.312 4.766 8.938 1.00 0.00 H new ATOM 546 N SER A 917 7.373 7.058 10.078 1.00 0.00 N ATOM 547 CA SER A 917 6.581 8.225 9.710 1.00 0.00 C ATOM 548 C SER A 917 6.204 8.183 8.232 1.00 0.00 C ATOM 549 O SER A 917 6.910 7.589 7.418 1.00 0.00 O ATOM 550 CB SER A 917 7.355 9.510 10.014 1.00 0.00 C ATOM 551 OG SER A 917 7.339 9.798 11.402 1.00 0.00 O ATOM 0 H SER A 917 8.298 7.023 9.649 1.00 0.00 H new ATOM 0 HA SER A 917 5.665 8.212 10.301 1.00 0.00 H new ATOM 0 HB2 SER A 917 8.385 9.407 9.672 1.00 0.00 H new ATOM 0 HB3 SER A 917 6.917 10.341 9.462 1.00 0.00 H new ATOM 0 HG SER A 917 7.841 10.622 11.571 1.00 0.00 H new ATOM 557 N TRP A 918 5.088 8.817 7.895 1.00 0.00 N ATOM 558 CA TRP A 918 4.616 8.853 6.515 1.00 0.00 C ATOM 559 C TRP A 918 5.704 9.370 5.581 1.00 0.00 C ATOM 560 O TRP A 918 6.076 8.703 4.616 1.00 0.00 O ATOM 561 CB TRP A 918 3.370 9.732 6.403 1.00 0.00 C ATOM 562 CG TRP A 918 3.063 10.151 4.997 1.00 0.00 C ATOM 563 CD1 TRP A 918 2.760 11.411 4.565 1.00 0.00 C ATOM 564 CD2 TRP A 918 3.029 9.309 3.839 1.00 0.00 C ATOM 565 NE1 TRP A 918 2.539 11.402 3.209 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.699 10.125 2.740 1.00 0.00 C ATOM 567 CE3 TRP A 918 3.247 7.946 3.625 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.581 9.621 1.447 1.00 0.00 C ATOM 569 CZ3 TRP A 918 3.130 7.446 2.341 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.800 8.282 1.266 1.00 0.00 C ATOM 0 H TRP A 918 4.492 9.313 8.558 1.00 0.00 H new ATOM 0 HA TRP A 918 4.362 7.836 6.218 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.515 9.191 6.808 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.505 10.622 7.018 1.00 0.00 H new ATOM 0 HD1 TRP A 918 2.703 12.285 5.196 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.295 12.215 2.643 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.502 7.294 4.448 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.326 10.263 0.617 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 3.296 6.394 2.164 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.717 7.861 0.275 1.00 0.00 H new ATOM 581 N SER A 919 6.212 10.563 5.874 1.00 0.00 N ATOM 582 CA SER A 919 7.256 11.171 5.058 1.00 0.00 C ATOM 583 C SER A 919 8.336 10.152 4.709 1.00 0.00 C ATOM 584 O SER A 919 8.546 9.828 3.540 1.00 0.00 O ATOM 585 CB SER A 919 7.878 12.361 5.791 1.00 0.00 C ATOM 586 OG SER A 919 7.049 13.506 5.701 1.00 0.00 O ATOM 0 H SER A 919 5.917 11.128 6.671 1.00 0.00 H new ATOM 0 HA SER A 919 6.800 11.522 4.132 1.00 0.00 H new ATOM 0 HB2 SER A 919 8.036 12.104 6.838 1.00 0.00 H new ATOM 0 HB3 SER A 919 8.857 12.583 5.366 1.00 0.00 H new ATOM 0 HG SER A 919 7.468 14.252 6.179 1.00 0.00 H new ATOM 592 N ASP A 920 9.019 9.650 5.733 1.00 0.00 N ATOM 593 CA ASP A 920 10.078 8.667 5.537 1.00 0.00 C ATOM 594 C ASP A 920 9.604 7.531 4.635 1.00 0.00 C ATOM 595 O ASP A 920 10.355 7.038 3.792 1.00 0.00 O ATOM 596 CB ASP A 920 10.538 8.107 6.883 1.00 0.00 C ATOM 597 CG ASP A 920 11.866 7.382 6.785 1.00 0.00 C ATOM 598 OD1 ASP A 920 11.873 6.213 6.348 1.00 0.00 O ATOM 599 OD2 ASP A 920 12.899 7.984 7.147 1.00 0.00 O ATOM 0 H ASP A 920 8.858 9.908 6.707 1.00 0.00 H new ATOM 0 HA ASP A 920 10.918 9.165 5.053 1.00 0.00 H new ATOM 0 HB2 ASP A 920 10.624 8.922 7.602 1.00 0.00 H new ATOM 0 HB3 ASP A 920 9.781 7.423 7.266 1.00 0.00 H new ATOM 604 N THR A 921 8.354 7.119 4.817 1.00 0.00 N ATOM 605 CA THR A 921 7.781 6.041 4.022 1.00 0.00 C ATOM 606 C THR A 921 7.659 6.443 2.556 1.00 0.00 C ATOM 607 O THR A 921 8.001 5.670 1.661 1.00 0.00 O ATOM 608 CB THR A 921 6.391 5.632 4.547 1.00 0.00 C ATOM 609 OG1 THR A 921 6.497 5.158 5.894 1.00 0.00 O ATOM 610 CG2 THR A 921 5.777 4.552 3.670 1.00 0.00 C ATOM 0 H THR A 921 7.718 7.516 5.509 1.00 0.00 H new ATOM 0 HA THR A 921 8.458 5.191 4.108 1.00 0.00 H new ATOM 0 HB THR A 921 5.744 6.509 4.521 1.00 0.00 H new ATOM 0 HG1 THR A 921 5.645 5.296 6.358 1.00 0.00 H new ATOM 0 HG21 THR A 921 4.796 4.280 4.061 1.00 0.00 H new ATOM 0 HG22 THR A 921 5.671 4.927 2.652 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.423 3.674 3.668 1.00 0.00 H new ATOM 618 N ARG A 922 7.171 7.656 2.319 1.00 0.00 N ATOM 619 CA ARG A 922 7.004 8.160 0.961 1.00 0.00 C ATOM 620 C ARG A 922 8.339 8.180 0.221 1.00 0.00 C ATOM 621 O ARG A 922 8.451 7.663 -0.890 1.00 0.00 O ATOM 622 CB ARG A 922 6.402 9.565 0.986 1.00 0.00 C ATOM 623 CG ARG A 922 5.753 9.974 -0.326 1.00 0.00 C ATOM 624 CD ARG A 922 5.129 11.357 -0.232 1.00 0.00 C ATOM 625 NE ARG A 922 4.975 11.979 -1.545 1.00 0.00 N ATOM 626 CZ ARG A 922 5.955 12.615 -2.176 1.00 0.00 C ATOM 627 NH1 ARG A 922 7.153 12.714 -1.618 1.00 0.00 N ATOM 628 NH2 ARG A 922 5.737 13.155 -3.369 1.00 0.00 N ATOM 0 H ARG A 922 6.884 8.308 3.049 1.00 0.00 H new ATOM 0 HA ARG A 922 6.325 7.491 0.433 1.00 0.00 H new ATOM 0 HB2 ARG A 922 5.658 9.618 1.781 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.185 10.282 1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 922 6.499 9.964 -1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 922 4.988 9.246 -0.597 1.00 0.00 H new ATOM 0 HD2 ARG A 922 4.154 11.283 0.250 1.00 0.00 H new ATOM 0 HD3 ARG A 922 5.750 11.993 0.400 1.00 0.00 H new ATOM 0 HE ARG A 922 4.065 11.922 -2.002 1.00 0.00 H new ATOM 0 HH11 ARG A 922 7.324 12.301 -0.701 1.00 0.00 H new ATOM 0 HH12 ARG A 922 7.904 13.203 -2.105 1.00 0.00 H new ATOM 0 HH21 ARG A 922 4.816 13.082 -3.802 1.00 0.00 H new ATOM 0 HH22 ARG A 922 6.490 13.643 -3.853 1.00 0.00 H new ATOM 642 N ARG A 923 9.346 8.781 0.845 1.00 0.00 N ATOM 643 CA ARG A 923 10.672 8.870 0.245 1.00 0.00 C ATOM 644 C ARG A 923 11.320 7.492 0.150 1.00 0.00 C ATOM 645 O ARG A 923 12.189 7.258 -0.691 1.00 0.00 O ATOM 646 CB ARG A 923 11.562 9.809 1.062 1.00 0.00 C ATOM 647 CG ARG A 923 11.970 9.241 2.412 1.00 0.00 C ATOM 648 CD ARG A 923 12.803 10.235 3.205 1.00 0.00 C ATOM 649 NE ARG A 923 14.108 10.469 2.591 1.00 0.00 N ATOM 650 CZ ARG A 923 14.898 11.487 2.911 1.00 0.00 C ATOM 651 NH1 ARG A 923 14.520 12.360 3.834 1.00 0.00 N ATOM 652 NH2 ARG A 923 16.071 11.633 2.308 1.00 0.00 N ATOM 0 H ARG A 923 9.269 9.214 1.766 1.00 0.00 H new ATOM 0 HA ARG A 923 10.561 9.270 -0.763 1.00 0.00 H new ATOM 0 HB2 ARG A 923 12.460 10.037 0.487 1.00 0.00 H new ATOM 0 HB3 ARG A 923 11.036 10.751 1.218 1.00 0.00 H new ATOM 0 HG2 ARG A 923 11.079 8.976 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 923 12.539 8.323 2.265 1.00 0.00 H new ATOM 0 HD2 ARG A 923 12.264 11.179 3.282 1.00 0.00 H new ATOM 0 HD3 ARG A 923 12.942 9.863 4.220 1.00 0.00 H new ATOM 0 HE ARG A 923 14.430 9.815 1.878 1.00 0.00 H new ATOM 0 HH11 ARG A 923 13.620 12.251 4.301 1.00 0.00 H new ATOM 0 HH12 ARG A 923 15.129 13.141 4.077 1.00 0.00 H new ATOM 0 HH21 ARG A 923 16.366 10.963 1.598 1.00 0.00 H new ATOM 0 HH22 ARG A 923 16.677 12.415 2.554 1.00 0.00 H new ATOM 666 N THR A 924 10.892 6.581 1.019 1.00 0.00 N ATOM 667 CA THR A 924 11.430 5.227 1.035 1.00 0.00 C ATOM 668 C THR A 924 10.991 4.447 -0.199 1.00 0.00 C ATOM 669 O THR A 924 11.814 3.843 -0.889 1.00 0.00 O ATOM 670 CB THR A 924 10.990 4.462 2.297 1.00 0.00 C ATOM 671 OG1 THR A 924 11.705 4.946 3.438 1.00 0.00 O ATOM 672 CG2 THR A 924 11.231 2.969 2.136 1.00 0.00 C ATOM 0 H THR A 924 10.174 6.757 1.721 1.00 0.00 H new ATOM 0 HA THR A 924 12.516 5.318 1.036 1.00 0.00 H new ATOM 0 HB THR A 924 9.922 4.628 2.442 1.00 0.00 H new ATOM 0 HG1 THR A 924 11.311 5.793 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 924 10.913 2.450 3.040 1.00 0.00 H new ATOM 0 HG22 THR A 924 10.661 2.598 1.284 1.00 0.00 H new ATOM 0 HG23 THR A 924 12.293 2.788 1.968 1.00 0.00 H new ATOM 680 N LEU A 925 9.691 4.462 -0.471 1.00 0.00 N ATOM 681 CA LEU A 925 9.143 3.756 -1.623 1.00 0.00 C ATOM 682 C LEU A 925 9.443 4.507 -2.917 1.00 0.00 C ATOM 683 O LEU A 925 9.860 3.912 -3.909 1.00 0.00 O ATOM 684 CB LEU A 925 7.632 3.575 -1.464 1.00 0.00 C ATOM 685 CG LEU A 925 7.157 3.071 -0.101 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.650 2.866 -0.103 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.872 1.780 0.270 1.00 0.00 C ATOM 0 H LEU A 925 8.997 4.955 0.091 1.00 0.00 H new ATOM 0 HA LEU A 925 9.617 2.776 -1.676 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.149 4.531 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.287 2.877 -2.227 1.00 0.00 H new ATOM 0 HG LEU A 925 7.400 3.825 0.648 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.330 2.507 0.875 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.154 3.812 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 925 5.384 2.132 -0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 925 7.521 1.436 1.243 1.00 0.00 H new ATOM 0 HD22 LEU A 925 7.662 1.019 -0.481 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.946 1.959 0.314 1.00 0.00 H new ATOM 699 N ARG A 926 9.228 5.819 -2.896 1.00 0.00 N ATOM 700 CA ARG A 926 9.477 6.652 -4.066 1.00 0.00 C ATOM 701 C ARG A 926 10.709 6.169 -4.825 1.00 0.00 C ATOM 702 O ARG A 926 10.653 5.922 -6.030 1.00 0.00 O ATOM 703 CB ARG A 926 9.661 8.112 -3.650 1.00 0.00 C ATOM 704 CG ARG A 926 8.363 8.901 -3.606 1.00 0.00 C ATOM 705 CD ARG A 926 8.602 10.345 -3.192 1.00 0.00 C ATOM 706 NE ARG A 926 9.277 11.109 -4.238 1.00 0.00 N ATOM 707 CZ ARG A 926 8.653 11.617 -5.296 1.00 0.00 C ATOM 708 NH1 ARG A 926 7.348 11.442 -5.447 1.00 0.00 N ATOM 709 NH2 ARG A 926 9.336 12.301 -6.205 1.00 0.00 N ATOM 0 H ARG A 926 8.882 6.327 -2.082 1.00 0.00 H new ATOM 0 HA ARG A 926 8.612 6.576 -4.725 1.00 0.00 H new ATOM 0 HB2 ARG A 926 10.129 8.144 -2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 926 10.347 8.596 -4.346 1.00 0.00 H new ATOM 0 HG2 ARG A 926 7.888 8.876 -4.587 1.00 0.00 H new ATOM 0 HG3 ARG A 926 7.673 8.430 -2.906 1.00 0.00 H new ATOM 0 HD2 ARG A 926 7.648 10.817 -2.956 1.00 0.00 H new ATOM 0 HD3 ARG A 926 9.202 10.367 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 926 10.282 11.261 -4.152 1.00 0.00 H new ATOM 0 HH11 ARG A 926 6.820 10.916 -4.750 1.00 0.00 H new ATOM 0 HH12 ARG A 926 6.872 11.833 -6.260 1.00 0.00 H new ATOM 0 HH21 ARG A 926 10.341 12.437 -6.092 1.00 0.00 H new ATOM 0 HH22 ARG A 926 8.856 12.691 -7.017 1.00 0.00 H new ATOM 723 N LYS A 927 11.823 6.038 -4.113 1.00 0.00 N ATOM 724 CA LYS A 927 13.070 5.584 -4.717 1.00 0.00 C ATOM 725 C LYS A 927 12.937 4.155 -5.232 1.00 0.00 C ATOM 726 O LYS A 927 13.510 3.799 -6.261 1.00 0.00 O ATOM 727 CB LYS A 927 14.213 5.668 -3.703 1.00 0.00 C ATOM 728 CG LYS A 927 13.964 4.865 -2.438 1.00 0.00 C ATOM 729 CD LYS A 927 15.226 4.735 -1.602 1.00 0.00 C ATOM 730 CE LYS A 927 15.360 5.882 -0.613 1.00 0.00 C ATOM 731 NZ LYS A 927 15.388 7.205 -1.298 1.00 0.00 N ATOM 0 H LYS A 927 11.888 6.240 -3.115 1.00 0.00 H new ATOM 0 HA LYS A 927 13.293 6.236 -5.561 1.00 0.00 H new ATOM 0 HB2 LYS A 927 15.131 5.315 -4.173 1.00 0.00 H new ATOM 0 HB3 LYS A 927 14.374 6.712 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 927 13.184 5.346 -1.848 1.00 0.00 H new ATOM 0 HG3 LYS A 927 13.598 3.873 -2.702 1.00 0.00 H new ATOM 0 HD2 LYS A 927 15.210 3.788 -1.062 1.00 0.00 H new ATOM 0 HD3 LYS A 927 16.097 4.714 -2.257 1.00 0.00 H new ATOM 0 HE2 LYS A 927 14.527 5.855 0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 927 16.273 5.755 -0.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 15.762 7.925 -0.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 15.998 7.148 -2.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 14.424 7.467 -1.587 1.00 0.00 H new ATOM 745 N ASP A 928 12.176 3.339 -4.509 1.00 0.00 N ATOM 746 CA ASP A 928 11.966 1.949 -4.894 1.00 0.00 C ATOM 747 C ASP A 928 11.478 1.852 -6.337 1.00 0.00 C ATOM 748 O ASP A 928 10.910 2.802 -6.876 1.00 0.00 O ATOM 749 CB ASP A 928 10.956 1.285 -3.956 1.00 0.00 C ATOM 750 CG ASP A 928 10.887 -0.217 -4.150 1.00 0.00 C ATOM 751 OD1 ASP A 928 11.916 -0.892 -3.932 1.00 0.00 O ATOM 752 OD2 ASP A 928 9.805 -0.719 -4.518 1.00 0.00 O ATOM 0 H ASP A 928 11.695 3.617 -3.654 1.00 0.00 H new ATOM 0 HA ASP A 928 12.920 1.428 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 928 11.226 1.503 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 928 9.969 1.716 -4.125 1.00 0.00 H new ATOM 757 N HIS A 929 11.706 0.698 -6.957 1.00 0.00 N ATOM 758 CA HIS A 929 11.290 0.478 -8.337 1.00 0.00 C ATOM 759 C HIS A 929 9.783 0.255 -8.422 1.00 0.00 C ATOM 760 O HIS A 929 9.071 1.010 -9.084 1.00 0.00 O ATOM 761 CB HIS A 929 12.029 -0.723 -8.929 1.00 0.00 C ATOM 762 CG HIS A 929 13.384 -0.386 -9.469 1.00 0.00 C ATOM 763 ND1 HIS A 929 13.751 0.892 -9.837 1.00 0.00 N ATOM 764 CD2 HIS A 929 14.465 -1.167 -9.702 1.00 0.00 C ATOM 765 CE1 HIS A 929 14.998 0.881 -10.274 1.00 0.00 C ATOM 766 NE2 HIS A 929 15.454 -0.356 -10.202 1.00 0.00 N ATOM 0 H HIS A 929 12.176 -0.098 -6.526 1.00 0.00 H new ATOM 0 HA HIS A 929 11.540 1.369 -8.912 1.00 0.00 H new ATOM 0 HB2 HIS A 929 12.133 -1.489 -8.161 1.00 0.00 H new ATOM 0 HB3 HIS A 929 11.425 -1.153 -9.728 1.00 0.00 H new ATOM 0 HD2 HIS A 929 14.536 -2.230 -9.527 1.00 0.00 H new ATOM 0 HE1 HIS A 929 15.550 1.738 -10.630 1.00 0.00 H new ATOM 0 HE2 HIS A 929 16.389 -0.660 -10.474 1.00 0.00 H new ATOM 774 N ARG A 930 9.305 -0.787 -7.749 1.00 0.00 N ATOM 775 CA ARG A 930 7.883 -1.110 -7.750 1.00 0.00 C ATOM 776 C ARG A 930 7.039 0.153 -7.611 1.00 0.00 C ATOM 777 O ARG A 930 6.138 0.400 -8.412 1.00 0.00 O ATOM 778 CB ARG A 930 7.559 -2.082 -6.614 1.00 0.00 C ATOM 779 CG ARG A 930 8.310 -3.400 -6.706 1.00 0.00 C ATOM 780 CD ARG A 930 8.403 -4.084 -5.352 1.00 0.00 C ATOM 781 NE ARG A 930 8.490 -5.537 -5.477 1.00 0.00 N ATOM 782 CZ ARG A 930 9.627 -6.188 -5.697 1.00 0.00 C ATOM 783 NH1 ARG A 930 10.766 -5.519 -5.815 1.00 0.00 N ATOM 784 NH2 ARG A 930 9.626 -7.511 -5.800 1.00 0.00 N ATOM 0 H ARG A 930 9.881 -1.422 -7.196 1.00 0.00 H new ATOM 0 HA ARG A 930 7.643 -1.583 -8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.794 -1.606 -5.662 1.00 0.00 H new ATOM 0 HB3 ARG A 930 6.488 -2.283 -6.614 1.00 0.00 H new ATOM 0 HG2 ARG A 930 7.806 -4.058 -7.414 1.00 0.00 H new ATOM 0 HG3 ARG A 930 9.313 -3.222 -7.095 1.00 0.00 H new ATOM 0 HD2 ARG A 930 9.278 -3.713 -4.818 1.00 0.00 H new ATOM 0 HD3 ARG A 930 7.530 -3.823 -4.754 1.00 0.00 H new ATOM 0 HE ARG A 930 7.631 -6.081 -5.391 1.00 0.00 H new ATOM 0 HH11 ARG A 930 10.771 -4.502 -5.737 1.00 0.00 H new ATOM 0 HH12 ARG A 930 11.637 -6.021 -5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 930 8.752 -8.029 -5.710 1.00 0.00 H new ATOM 0 HH22 ARG A 930 10.499 -8.010 -5.969 1.00 0.00 H new ATOM 798 N TRP A 931 7.336 0.947 -6.589 1.00 0.00 N ATOM 799 CA TRP A 931 6.603 2.184 -6.344 1.00 0.00 C ATOM 800 C TRP A 931 6.224 2.861 -7.656 1.00 0.00 C ATOM 801 O TRP A 931 5.100 3.335 -7.817 1.00 0.00 O ATOM 802 CB TRP A 931 7.441 3.136 -5.488 1.00 0.00 C ATOM 803 CG TRP A 931 6.905 4.536 -5.459 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.150 5.526 -6.368 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.036 5.101 -4.472 1.00 0.00 C ATOM 806 NE1 TRP A 931 6.485 6.672 -6.004 1.00 0.00 N ATOM 807 CE2 TRP A 931 5.794 6.437 -4.845 1.00 0.00 C ATOM 808 CE3 TRP A 931 5.437 4.607 -3.309 1.00 0.00 C ATOM 809 CZ2 TRP A 931 4.981 7.283 -4.096 1.00 0.00 C ATOM 810 CZ3 TRP A 931 4.631 5.448 -2.567 1.00 0.00 C ATOM 811 CH2 TRP A 931 4.407 6.774 -2.963 1.00 0.00 C ATOM 0 H TRP A 931 8.079 0.757 -5.917 1.00 0.00 H new ATOM 0 HA TRP A 931 5.687 1.935 -5.808 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.488 2.751 -4.469 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.462 3.153 -5.870 1.00 0.00 H new ATOM 0 HD1 TRP A 931 7.774 5.423 -7.243 1.00 0.00 H new ATOM 0 HE1 TRP A 931 6.503 7.555 -6.514 1.00 0.00 H new ATOM 0 HE3 TRP A 931 5.602 3.586 -2.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 4.809 8.305 -4.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 4.165 5.078 -1.666 1.00 0.00 H new ATOM 0 HH2 TRP A 931 3.769 7.406 -2.362 1.00 0.00 H new ATOM 822 N GLU A 932 7.168 2.901 -8.591 1.00 0.00 N ATOM 823 CA GLU A 932 6.931 3.521 -9.889 1.00 0.00 C ATOM 824 C GLU A 932 5.500 3.275 -10.356 1.00 0.00 C ATOM 825 O GLU A 932 4.728 4.215 -10.549 1.00 0.00 O ATOM 826 CB GLU A 932 7.918 2.980 -10.926 1.00 0.00 C ATOM 827 CG GLU A 932 8.172 3.934 -12.081 1.00 0.00 C ATOM 828 CD GLU A 932 9.408 3.567 -12.880 1.00 0.00 C ATOM 829 OE1 GLU A 932 9.336 2.610 -13.679 1.00 0.00 O ATOM 830 OE2 GLU A 932 10.447 4.238 -12.705 1.00 0.00 O ATOM 0 H GLU A 932 8.103 2.512 -8.474 1.00 0.00 H new ATOM 0 HA GLU A 932 7.080 4.595 -9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 932 8.865 2.759 -10.433 1.00 0.00 H new ATOM 0 HB3 GLU A 932 7.537 2.038 -11.321 1.00 0.00 H new ATOM 0 HG2 GLU A 932 7.305 3.938 -12.741 1.00 0.00 H new ATOM 0 HG3 GLU A 932 8.282 4.947 -11.693 1.00 0.00 H new ATOM 837 N SER A 933 5.153 2.005 -10.538 1.00 0.00 N ATOM 838 CA SER A 933 3.816 1.634 -10.986 1.00 0.00 C ATOM 839 C SER A 933 2.750 2.244 -10.081 1.00 0.00 C ATOM 840 O SER A 933 1.701 2.686 -10.548 1.00 0.00 O ATOM 841 CB SER A 933 3.668 0.112 -11.013 1.00 0.00 C ATOM 842 OG SER A 933 4.754 -0.494 -11.693 1.00 0.00 O ATOM 0 H SER A 933 5.780 1.215 -10.382 1.00 0.00 H new ATOM 0 HA SER A 933 3.677 2.023 -11.995 1.00 0.00 H new ATOM 0 HB2 SER A 933 3.615 -0.270 -9.993 1.00 0.00 H new ATOM 0 HB3 SER A 933 2.732 -0.157 -11.503 1.00 0.00 H new ATOM 0 HG SER A 933 4.637 -1.467 -11.695 1.00 0.00 H new ATOM 848 N GLY A 934 3.028 2.264 -8.781 1.00 0.00 N ATOM 849 CA GLY A 934 2.085 2.821 -7.829 1.00 0.00 C ATOM 850 C GLY A 934 1.651 4.226 -8.197 1.00 0.00 C ATOM 851 O GLY A 934 0.672 4.742 -7.658 1.00 0.00 O ATOM 0 H GLY A 934 3.890 1.904 -8.370 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.208 2.176 -7.772 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.538 2.832 -6.838 1.00 0.00 H new ATOM 855 N SER A 935 2.382 4.848 -9.117 1.00 0.00 N ATOM 856 CA SER A 935 2.071 6.204 -9.552 1.00 0.00 C ATOM 857 C SER A 935 0.580 6.353 -9.841 1.00 0.00 C ATOM 858 O SER A 935 0.004 7.426 -9.656 1.00 0.00 O ATOM 859 CB SER A 935 2.882 6.560 -10.800 1.00 0.00 C ATOM 860 OG SER A 935 4.162 7.059 -10.451 1.00 0.00 O ATOM 0 H SER A 935 3.194 4.434 -9.575 1.00 0.00 H new ATOM 0 HA SER A 935 2.338 6.888 -8.746 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.992 5.678 -11.430 1.00 0.00 H new ATOM 0 HB3 SER A 935 2.345 7.306 -11.386 1.00 0.00 H new ATOM 0 HG SER A 935 4.794 6.314 -10.375 1.00 0.00 H new ATOM 866 N LEU A 936 -0.039 5.270 -10.296 1.00 0.00 N ATOM 867 CA LEU A 936 -1.463 5.278 -10.612 1.00 0.00 C ATOM 868 C LEU A 936 -2.268 5.904 -9.477 1.00 0.00 C ATOM 869 O LEU A 936 -3.183 6.694 -9.713 1.00 0.00 O ATOM 870 CB LEU A 936 -1.955 3.854 -10.877 1.00 0.00 C ATOM 871 CG LEU A 936 -1.559 3.246 -12.223 1.00 0.00 C ATOM 872 CD1 LEU A 936 -1.680 1.731 -12.181 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.417 3.821 -13.340 1.00 0.00 C ATOM 0 H LEU A 936 0.423 4.374 -10.455 1.00 0.00 H new ATOM 0 HA LEU A 936 -1.608 5.878 -11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.578 3.208 -10.084 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.043 3.847 -10.804 1.00 0.00 H new ATOM 0 HG LEU A 936 -0.518 3.501 -12.423 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -1.394 1.316 -13.148 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.022 1.335 -11.407 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -2.710 1.454 -11.958 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -2.122 3.377 -14.291 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -3.466 3.597 -13.145 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -2.279 4.901 -13.385 1.00 0.00 H new ATOM 885 N LEU A 937 -1.921 5.547 -8.246 1.00 0.00 N ATOM 886 CA LEU A 937 -2.610 6.075 -7.073 1.00 0.00 C ATOM 887 C LEU A 937 -2.344 7.569 -6.912 1.00 0.00 C ATOM 888 O LEU A 937 -1.567 8.155 -7.666 1.00 0.00 O ATOM 889 CB LEU A 937 -2.163 5.328 -5.815 1.00 0.00 C ATOM 890 CG LEU A 937 -2.192 3.801 -5.896 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.355 3.192 -4.782 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.624 3.290 -5.830 1.00 0.00 C ATOM 0 H LEU A 937 -1.167 4.894 -8.033 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.681 5.928 -7.214 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -1.147 5.640 -5.573 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.798 5.640 -4.986 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.764 3.499 -6.852 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.387 2.105 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.323 3.531 -4.875 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -1.754 3.502 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.625 2.202 -5.889 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.079 3.603 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.195 3.699 -6.663 1.00 0.00 H new ATOM 904 N GLU A 938 -2.992 8.177 -5.924 1.00 0.00 N ATOM 905 CA GLU A 938 -2.824 9.602 -5.664 1.00 0.00 C ATOM 906 C GLU A 938 -2.335 9.841 -4.238 1.00 0.00 C ATOM 907 O GLU A 938 -2.656 9.080 -3.325 1.00 0.00 O ATOM 908 CB GLU A 938 -4.142 10.344 -5.893 1.00 0.00 C ATOM 909 CG GLU A 938 -5.128 10.202 -4.746 1.00 0.00 C ATOM 910 CD GLU A 938 -6.494 10.772 -5.076 1.00 0.00 C ATOM 911 OE1 GLU A 938 -6.634 12.013 -5.083 1.00 0.00 O ATOM 912 OE2 GLU A 938 -7.423 9.976 -5.328 1.00 0.00 O ATOM 0 H GLU A 938 -3.638 7.706 -5.291 1.00 0.00 H new ATOM 0 HA GLU A 938 -2.074 9.985 -6.356 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.931 11.402 -6.051 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.605 9.972 -6.807 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.231 9.148 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.731 10.707 -3.866 1.00 0.00 H new ATOM 919 N ARG A 939 -1.555 10.902 -4.057 1.00 0.00 N ATOM 920 CA ARG A 939 -1.020 11.240 -2.744 1.00 0.00 C ATOM 921 C ARG A 939 -2.023 10.906 -1.644 1.00 0.00 C ATOM 922 O ARG A 939 -1.661 10.351 -0.608 1.00 0.00 O ATOM 923 CB ARG A 939 -0.658 12.726 -2.684 1.00 0.00 C ATOM 924 CG ARG A 939 0.465 13.117 -3.630 1.00 0.00 C ATOM 925 CD ARG A 939 0.342 14.567 -4.072 1.00 0.00 C ATOM 926 NE ARG A 939 1.643 15.163 -4.364 1.00 0.00 N ATOM 927 CZ ARG A 939 1.795 16.367 -4.903 1.00 0.00 C ATOM 928 NH1 ARG A 939 0.733 17.101 -5.206 1.00 0.00 N ATOM 929 NH2 ARG A 939 3.012 16.841 -5.139 1.00 0.00 N ATOM 0 H ARG A 939 -1.280 11.542 -4.802 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.120 10.646 -2.583 1.00 0.00 H new ATOM 0 HB2 ARG A 939 -1.543 13.317 -2.920 1.00 0.00 H new ATOM 0 HB3 ARG A 939 -0.368 12.980 -1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 939 1.426 12.966 -3.138 1.00 0.00 H new ATOM 0 HG3 ARG A 939 0.449 12.466 -4.504 1.00 0.00 H new ATOM 0 HD2 ARG A 939 -0.290 14.623 -4.959 1.00 0.00 H new ATOM 0 HD3 ARG A 939 -0.153 15.143 -3.291 1.00 0.00 H new ATOM 0 HE ARG A 939 2.481 14.625 -4.142 1.00 0.00 H new ATOM 0 HH11 ARG A 939 -0.204 16.741 -5.025 1.00 0.00 H new ATOM 0 HH12 ARG A 939 0.853 18.025 -5.620 1.00 0.00 H new ATOM 0 HH21 ARG A 939 3.832 16.280 -4.906 1.00 0.00 H new ATOM 0 HH22 ARG A 939 3.128 17.766 -5.553 1.00 0.00 H new ATOM 943 N GLU A 940 -3.286 11.249 -1.879 1.00 0.00 N ATOM 944 CA GLU A 940 -4.341 10.986 -0.907 1.00 0.00 C ATOM 945 C GLU A 940 -4.494 9.487 -0.662 1.00 0.00 C ATOM 946 O GLU A 940 -4.336 9.013 0.463 1.00 0.00 O ATOM 947 CB GLU A 940 -5.669 11.572 -1.392 1.00 0.00 C ATOM 948 CG GLU A 940 -6.717 11.691 -0.298 1.00 0.00 C ATOM 949 CD GLU A 940 -6.275 12.592 0.838 1.00 0.00 C ATOM 950 OE1 GLU A 940 -5.415 12.163 1.635 1.00 0.00 O ATOM 951 OE2 GLU A 940 -6.789 13.726 0.931 1.00 0.00 O ATOM 0 H GLU A 940 -3.603 11.709 -2.733 1.00 0.00 H new ATOM 0 HA GLU A 940 -4.062 11.464 0.032 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -5.487 12.559 -1.818 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -6.062 10.946 -2.193 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -7.641 12.079 -0.726 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -6.940 10.699 0.096 1.00 0.00 H new ATOM 958 N GLU A 941 -4.803 8.748 -1.723 1.00 0.00 N ATOM 959 CA GLU A 941 -4.978 7.304 -1.622 1.00 0.00 C ATOM 960 C GLU A 941 -3.765 6.653 -0.964 1.00 0.00 C ATOM 961 O GLU A 941 -3.902 5.767 -0.121 1.00 0.00 O ATOM 962 CB GLU A 941 -5.207 6.698 -3.008 1.00 0.00 C ATOM 963 CG GLU A 941 -6.006 5.406 -2.983 1.00 0.00 C ATOM 964 CD GLU A 941 -5.126 4.179 -2.840 1.00 0.00 C ATOM 965 OE1 GLU A 941 -4.000 4.189 -3.380 1.00 0.00 O ATOM 966 OE2 GLU A 941 -5.565 3.208 -2.188 1.00 0.00 O ATOM 0 H GLU A 941 -4.937 9.125 -2.661 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.853 7.112 -1.000 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -5.727 7.425 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -4.241 6.509 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -6.716 5.438 -2.156 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -6.589 5.326 -3.901 1.00 0.00 H new ATOM 973 N LYS A 942 -2.576 7.099 -1.356 1.00 0.00 N ATOM 974 CA LYS A 942 -1.338 6.563 -0.805 1.00 0.00 C ATOM 975 C LYS A 942 -1.282 6.763 0.706 1.00 0.00 C ATOM 976 O LYS A 942 -1.192 5.799 1.465 1.00 0.00 O ATOM 977 CB LYS A 942 -0.130 7.234 -1.464 1.00 0.00 C ATOM 978 CG LYS A 942 0.044 6.871 -2.929 1.00 0.00 C ATOM 979 CD LYS A 942 0.925 7.876 -3.651 1.00 0.00 C ATOM 980 CE LYS A 942 0.925 7.639 -5.153 1.00 0.00 C ATOM 981 NZ LYS A 942 1.698 8.683 -5.880 1.00 0.00 N ATOM 0 H LYS A 942 -2.444 7.831 -2.054 1.00 0.00 H new ATOM 0 HA LYS A 942 -1.311 5.493 -1.013 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -0.233 8.316 -1.376 1.00 0.00 H new ATOM 0 HB3 LYS A 942 0.772 6.955 -0.920 1.00 0.00 H new ATOM 0 HG2 LYS A 942 0.484 5.877 -3.009 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.932 6.828 -3.413 1.00 0.00 H new ATOM 0 HD2 LYS A 942 0.574 8.886 -3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 942 1.944 7.807 -3.271 1.00 0.00 H new ATOM 0 HE2 LYS A 942 1.351 6.658 -5.366 1.00 0.00 H new ATOM 0 HE3 LYS A 942 -0.102 7.627 -5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 1.674 8.485 -6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 1.277 9.616 -5.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 2.684 8.678 -5.550 1.00 0.00 H new ATOM 995 N GLU A 943 -1.339 8.020 1.134 1.00 0.00 N ATOM 996 CA GLU A 943 -1.295 8.345 2.555 1.00 0.00 C ATOM 997 C GLU A 943 -2.254 7.458 3.345 1.00 0.00 C ATOM 998 O GLU A 943 -1.884 6.879 4.367 1.00 0.00 O ATOM 999 CB GLU A 943 -1.647 9.817 2.776 1.00 0.00 C ATOM 1000 CG GLU A 943 -1.344 10.312 4.180 1.00 0.00 C ATOM 1001 CD GLU A 943 -2.157 11.535 4.556 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -2.154 12.512 3.778 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.797 11.515 5.628 1.00 0.00 O ATOM 0 H GLU A 943 -1.416 8.829 0.518 1.00 0.00 H new ATOM 0 HA GLU A 943 -0.281 8.164 2.912 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -1.096 10.425 2.059 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.707 9.963 2.569 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -1.545 9.513 4.894 1.00 0.00 H new ATOM 0 HG3 GLU A 943 -0.283 10.548 4.257 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.489 7.357 2.865 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.502 6.542 3.524 1.00 0.00 C ATOM 1012 C LYS A 944 -4.043 5.092 3.640 1.00 0.00 C ATOM 1013 O LYS A 944 -4.077 4.504 4.722 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.822 6.609 2.752 1.00 0.00 C ATOM 1015 CG LYS A 944 -6.681 7.807 3.118 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.346 7.622 4.472 1.00 0.00 C ATOM 1017 CE LYS A 944 -8.357 8.724 4.751 1.00 0.00 C ATOM 1018 NZ LYS A 944 -7.697 10.040 4.973 1.00 0.00 N ATOM 0 H LYS A 944 -3.812 7.830 2.021 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.654 6.938 4.528 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -5.607 6.639 1.684 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -6.388 5.696 2.937 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -6.065 8.706 3.134 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -7.444 7.956 2.354 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -7.844 6.653 4.505 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -6.587 7.617 5.254 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -9.049 8.802 3.913 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -8.947 8.461 5.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -8.420 10.764 5.160 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -7.055 9.973 5.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -7.154 10.303 4.126 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.613 4.521 2.521 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.145 3.139 2.498 1.00 0.00 C ATOM 1034 C LEU A 945 -2.099 2.901 3.582 1.00 0.00 C ATOM 1035 O LEU A 945 -2.295 2.079 4.478 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.559 2.802 1.125 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.568 2.629 -0.011 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -2.854 2.552 -1.351 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.418 1.387 0.215 1.00 0.00 C ATOM 0 H LEU A 945 -3.578 4.993 1.617 1.00 0.00 H new ATOM 0 HA LEU A 945 -3.998 2.488 2.692 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -1.860 3.591 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -1.981 1.882 1.214 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.226 3.498 -0.022 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -3.588 2.429 -2.148 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -2.290 3.470 -1.516 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.172 1.702 -1.351 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.130 1.280 -0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.775 0.508 0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.959 1.483 1.157 1.00 0.00 H new ATOM 1051 N PHE A 946 -0.989 3.626 3.496 1.00 0.00 N ATOM 1052 CA PHE A 946 0.088 3.494 4.471 1.00 0.00 C ATOM 1053 C PHE A 946 -0.463 3.496 5.894 1.00 0.00 C ATOM 1054 O PHE A 946 -0.320 2.519 6.628 1.00 0.00 O ATOM 1055 CB PHE A 946 1.099 4.630 4.302 1.00 0.00 C ATOM 1056 CG PHE A 946 1.966 4.845 5.510 1.00 0.00 C ATOM 1057 CD1 PHE A 946 3.089 4.061 5.722 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.657 5.830 6.434 1.00 0.00 C ATOM 1059 CE1 PHE A 946 3.889 4.257 6.832 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.454 6.031 7.546 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.570 5.242 7.745 1.00 0.00 C ATOM 0 H PHE A 946 -0.811 4.311 2.761 1.00 0.00 H new ATOM 0 HA PHE A 946 0.589 2.542 4.296 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.734 4.416 3.442 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.563 5.553 4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.342 3.288 5.012 1.00 0.00 H new ATOM 0 HD2 PHE A 946 0.784 6.448 6.284 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.762 3.640 6.985 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.204 6.804 8.258 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.192 5.396 8.614 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.095 4.601 6.276 1.00 0.00 N ATOM 1072 CA ASN A 947 -1.667 4.732 7.611 1.00 0.00 C ATOM 1073 C ASN A 947 -2.372 3.445 8.029 1.00 0.00 C ATOM 1074 O ASN A 947 -2.117 2.908 9.106 1.00 0.00 O ATOM 1075 CB ASN A 947 -2.651 5.903 7.654 1.00 0.00 C ATOM 1076 CG ASN A 947 -1.951 7.248 7.622 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -0.746 7.339 7.858 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -2.705 8.301 7.329 1.00 0.00 N ATOM 0 H ASN A 947 -1.224 5.419 5.680 1.00 0.00 H new ATOM 0 HA ASN A 947 -0.854 4.924 8.311 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.334 5.832 6.807 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.256 5.833 8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -2.289 9.232 7.293 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -3.700 8.179 7.140 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.260 2.956 7.168 1.00 0.00 N ATOM 1086 CA GLU A 948 -4.001 1.733 7.449 1.00 0.00 C ATOM 1087 C GLU A 948 -3.051 0.576 7.744 1.00 0.00 C ATOM 1088 O GLU A 948 -3.253 -0.181 8.694 1.00 0.00 O ATOM 1089 CB GLU A 948 -4.905 1.376 6.267 1.00 0.00 C ATOM 1090 CG GLU A 948 -6.116 2.283 6.131 1.00 0.00 C ATOM 1091 CD GLU A 948 -7.045 2.200 7.326 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -6.736 2.822 8.363 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -8.082 1.511 7.224 1.00 0.00 O ATOM 0 H GLU A 948 -3.483 3.388 6.271 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.618 1.907 8.331 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.322 1.423 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.244 0.346 6.378 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -5.782 3.313 6.007 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.666 2.015 5.229 1.00 0.00 H new ATOM 1100 N HIS A 949 -2.014 0.445 6.923 1.00 0.00 N ATOM 1101 CA HIS A 949 -1.032 -0.619 7.095 1.00 0.00 C ATOM 1102 C HIS A 949 -0.410 -0.564 8.487 1.00 0.00 C ATOM 1103 O HIS A 949 -0.327 -1.579 9.180 1.00 0.00 O ATOM 1104 CB HIS A 949 0.061 -0.510 6.031 1.00 0.00 C ATOM 1105 CG HIS A 949 1.191 -1.473 6.232 1.00 0.00 C ATOM 1106 ND1 HIS A 949 1.024 -2.842 6.222 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.510 -1.258 6.448 1.00 0.00 C ATOM 1108 CE1 HIS A 949 2.191 -3.427 6.424 1.00 0.00 C ATOM 1109 NE2 HIS A 949 3.109 -2.488 6.564 1.00 0.00 N ATOM 0 H HIS A 949 -1.832 1.063 6.132 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.544 -1.574 6.982 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.381 -0.681 5.049 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.456 0.506 6.030 1.00 0.00 H new ATOM 0 HD2 HIS A 949 3.000 -0.298 6.516 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.365 -4.492 6.467 1.00 0.00 H new ATOM 0 HE2 HIS A 949 4.102 -2.650 6.731 1.00 0.00 H new ATOM 1117 N ILE A 950 0.025 0.625 8.889 1.00 0.00 N ATOM 1118 CA ILE A 950 0.638 0.811 10.199 1.00 0.00 C ATOM 1119 C ILE A 950 -0.340 0.469 11.317 1.00 0.00 C ATOM 1120 O ILE A 950 -0.032 -0.329 12.202 1.00 0.00 O ATOM 1121 CB ILE A 950 1.133 2.257 10.388 1.00 0.00 C ATOM 1122 CG1 ILE A 950 2.070 2.653 9.246 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.833 2.405 11.731 1.00 0.00 C ATOM 1124 CD1 ILE A 950 3.366 1.873 9.230 1.00 0.00 C ATOM 0 H ILE A 950 -0.035 1.474 8.327 1.00 0.00 H new ATOM 0 HA ILE A 950 1.491 0.135 10.248 1.00 0.00 H new ATOM 0 HB ILE A 950 0.272 2.925 10.373 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.555 2.506 8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.296 3.716 9.324 1.00 0.00 H new ATOM 0 HG21 ILE A 950 2.177 3.432 11.851 1.00 0.00 H new ATOM 0 HG22 ILE A 950 1.137 2.160 12.533 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.687 1.729 11.773 1.00 0.00 H new ATOM 0 HD11 ILE A 950 3.981 2.206 8.394 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.902 2.040 10.164 1.00 0.00 H new ATOM 0 HD13 ILE A 950 3.150 0.810 9.120 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.521 1.078 11.270 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.545 0.836 12.280 1.00 0.00 C ATOM 1138 C GLU A 951 -2.878 -0.650 12.372 1.00 0.00 C ATOM 1139 O GLU A 951 -3.081 -1.185 13.462 1.00 0.00 O ATOM 1140 CB GLU A 951 -3.810 1.635 11.957 1.00 0.00 C ATOM 1141 CG GLU A 951 -3.633 3.137 12.098 1.00 0.00 C ATOM 1142 CD GLU A 951 -3.748 3.605 13.536 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -4.685 3.161 14.231 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -2.901 4.416 13.966 1.00 0.00 O ATOM 0 H GLU A 951 -1.792 1.742 10.544 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.154 1.163 13.243 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -4.122 1.408 10.938 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -4.614 1.309 12.617 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -2.658 3.423 11.704 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -4.383 3.646 11.493 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.934 -1.311 11.220 1.00 0.00 N ATOM 1152 CA ALA A 952 -3.241 -2.735 11.171 1.00 0.00 C ATOM 1153 C ALA A 952 -2.144 -3.556 11.839 1.00 0.00 C ATOM 1154 O ALA A 952 -2.423 -4.533 12.536 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.435 -3.182 9.729 1.00 0.00 C ATOM 0 H ALA A 952 -2.771 -0.883 10.309 1.00 0.00 H new ATOM 0 HA ALA A 952 -4.168 -2.902 11.720 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.664 -4.247 9.706 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -4.258 -2.624 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.522 -2.995 9.164 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.896 -3.157 11.621 1.00 0.00 N ATOM 1162 CA LEU A 953 0.244 -3.857 12.202 1.00 0.00 C ATOM 1163 C LEU A 953 0.193 -3.811 13.725 1.00 0.00 C ATOM 1164 O LEU A 953 0.150 -4.849 14.388 1.00 0.00 O ATOM 1165 CB LEU A 953 1.553 -3.241 11.705 1.00 0.00 C ATOM 1166 CG LEU A 953 1.937 -3.554 10.258 1.00 0.00 C ATOM 1167 CD1 LEU A 953 3.110 -2.692 9.819 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.269 -5.031 10.103 1.00 0.00 C ATOM 0 H LEU A 953 -0.648 -2.352 11.046 1.00 0.00 H new ATOM 0 HA LEU A 953 0.198 -4.899 11.887 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.487 -2.159 11.816 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.360 -3.579 12.355 1.00 0.00 H new ATOM 0 HG LEU A 953 1.085 -3.325 9.618 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.369 -2.929 8.787 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.836 -1.640 9.892 1.00 0.00 H new ATOM 0 HD13 LEU A 953 3.967 -2.889 10.463 1.00 0.00 H new ATOM 0 HD21 LEU A 953 2.540 -5.236 9.067 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.105 -5.286 10.754 1.00 0.00 H new ATOM 0 HD23 LEU A 953 1.400 -5.630 10.376 1.00 0.00 H new ATOM 1180 N THR A 954 0.196 -2.602 14.276 1.00 0.00 N ATOM 1181 CA THR A 954 0.149 -2.420 15.722 1.00 0.00 C ATOM 1182 C THR A 954 -0.813 -3.409 16.369 1.00 0.00 C ATOM 1183 O THR A 954 -0.490 -4.037 17.378 1.00 0.00 O ATOM 1184 CB THR A 954 -0.278 -0.988 16.094 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.613 -0.740 15.638 1.00 0.00 O ATOM 1186 CG2 THR A 954 0.669 0.035 15.485 1.00 0.00 C ATOM 0 H THR A 954 0.231 -1.733 13.743 1.00 0.00 H new ATOM 0 HA THR A 954 1.157 -2.600 16.096 1.00 0.00 H new ATOM 0 HB THR A 954 -0.242 -0.893 17.179 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.705 -1.049 14.713 1.00 0.00 H new ATOM 0 HG21 THR A 954 0.347 1.039 15.762 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.679 -0.137 15.857 1.00 0.00 H new ATOM 0 HG23 THR A 954 0.661 -0.062 14.399 1.00 0.00 H new