USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=12 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= -0.372 X(o=-0.37,f=-0.73) USER MOD Single : A 902 ASN : amide:sc= -0.124 K(o=-0.12,f=-1.3!) USER MOD Single : A 904 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.42) USER MOD Single : A 908 SER OG : rot 180:sc= 0 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) 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 USER MOD Single : A 921 THR OG1 : rot 163:sc= 0.671 USER MOD Single : A 924 THR OG1 : rot 81:sc= 1.2 USER MOD Single : A 927 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 929 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 933 SER OG : rot 180:sc= 0 USER MOD Single : A 935 SER OG : rot 92:sc= 0.973 USER MOD Single : A 942 LYS NZ :NH3+ -178:sc= 1.85 (180deg=1.81) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc= -0.0577 K(o=-0.058,f=-1.2) USER MOD Single : A 949 HIS : no HD1:sc= -4.02 K(o=-4,f=-5.4!) USER MOD Single : A 954 THR OG1 : rot 8:sc= 0.728 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -5.550 -0.242 -12.236 1.00 0.00 N ATOM 213 CA ARG A 896 -5.326 0.272 -10.890 1.00 0.00 C ATOM 214 C ARG A 896 -5.306 -0.863 -9.871 1.00 0.00 C ATOM 215 O ARG A 896 -4.412 -0.938 -9.029 1.00 0.00 O ATOM 216 CB ARG A 896 -6.412 1.284 -10.520 1.00 0.00 C ATOM 217 CG ARG A 896 -6.206 1.930 -9.160 1.00 0.00 C ATOM 218 CD ARG A 896 -7.476 2.602 -8.664 1.00 0.00 C ATOM 219 NE ARG A 896 -7.626 3.953 -9.200 1.00 0.00 N ATOM 220 CZ ARG A 896 -7.039 5.022 -8.673 1.00 0.00 C ATOM 221 NH1 ARG A 896 -6.268 4.898 -7.602 1.00 0.00 N ATOM 222 NH2 ARG A 896 -7.224 6.217 -9.218 1.00 0.00 N ATOM 0 HA ARG A 896 -4.356 0.768 -10.875 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -6.445 2.063 -11.281 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -7.381 0.785 -10.533 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -5.889 1.174 -8.441 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.405 2.666 -9.223 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -8.339 2.001 -8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -7.463 2.644 -7.575 1.00 0.00 H new ATOM 0 HE ARG A 896 -8.213 4.082 -10.024 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -6.124 3.980 -7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -5.818 5.720 -7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -7.817 6.315 -10.042 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -6.773 7.038 -8.813 1.00 0.00 H new ATOM 236 N GLU A 897 -6.299 -1.744 -9.954 1.00 0.00 N ATOM 237 CA GLU A 897 -6.395 -2.874 -9.037 1.00 0.00 C ATOM 238 C GLU A 897 -5.009 -3.400 -8.675 1.00 0.00 C ATOM 239 O GLU A 897 -4.632 -3.430 -7.504 1.00 0.00 O ATOM 240 CB GLU A 897 -7.230 -3.994 -9.660 1.00 0.00 C ATOM 241 CG GLU A 897 -8.725 -3.835 -9.436 1.00 0.00 C ATOM 242 CD GLU A 897 -9.166 -4.329 -8.071 1.00 0.00 C ATOM 243 OE1 GLU A 897 -8.662 -5.382 -7.629 1.00 0.00 O ATOM 244 OE2 GLU A 897 -10.015 -3.660 -7.445 1.00 0.00 O ATOM 0 H GLU A 897 -7.047 -1.697 -10.646 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.884 -2.529 -8.126 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.033 -4.029 -10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -6.908 -4.949 -9.245 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -8.995 -2.784 -9.543 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.265 -4.383 -10.208 1.00 0.00 H new ATOM 251 N GLU A 898 -4.255 -3.814 -9.689 1.00 0.00 N ATOM 252 CA GLU A 898 -2.912 -4.340 -9.477 1.00 0.00 C ATOM 253 C GLU A 898 -2.096 -3.406 -8.587 1.00 0.00 C ATOM 254 O GLU A 898 -1.426 -3.848 -7.655 1.00 0.00 O ATOM 255 CB GLU A 898 -2.200 -4.537 -10.817 1.00 0.00 C ATOM 256 CG GLU A 898 -2.112 -3.271 -11.651 1.00 0.00 C ATOM 257 CD GLU A 898 -1.531 -3.520 -13.030 1.00 0.00 C ATOM 258 OE1 GLU A 898 -1.904 -4.532 -13.658 1.00 0.00 O ATOM 259 OE2 GLU A 898 -0.703 -2.700 -13.480 1.00 0.00 O ATOM 0 H GLU A 898 -4.552 -3.795 -10.665 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.002 -5.304 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -1.193 -4.911 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -2.725 -5.303 -11.388 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -3.107 -2.838 -11.753 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -1.497 -2.538 -11.129 1.00 0.00 H new ATOM 266 N ALA A 899 -2.159 -2.112 -8.883 1.00 0.00 N ATOM 267 CA ALA A 899 -1.428 -1.115 -8.111 1.00 0.00 C ATOM 268 C ALA A 899 -1.852 -1.137 -6.646 1.00 0.00 C ATOM 269 O ALA A 899 -1.014 -1.066 -5.747 1.00 0.00 O ATOM 270 CB ALA A 899 -1.639 0.270 -8.703 1.00 0.00 C ATOM 0 H ALA A 899 -2.709 -1.730 -9.652 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.367 -1.360 -8.159 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -1.087 1.004 -8.116 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.280 0.284 -9.732 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.701 0.515 -8.685 1.00 0.00 H new ATOM 276 N ILE A 900 -3.157 -1.234 -6.414 1.00 0.00 N ATOM 277 CA ILE A 900 -3.691 -1.265 -5.058 1.00 0.00 C ATOM 278 C ILE A 900 -3.096 -2.420 -4.259 1.00 0.00 C ATOM 279 O ILE A 900 -2.423 -2.207 -3.251 1.00 0.00 O ATOM 280 CB ILE A 900 -5.225 -1.394 -5.061 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.857 -0.221 -5.813 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.753 -1.463 -3.635 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.315 -0.436 -6.153 1.00 0.00 C ATOM 0 H ILE A 900 -3.864 -1.292 -7.147 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.415 -0.321 -4.588 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.496 -2.317 -5.574 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.763 0.681 -5.208 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.299 -0.047 -6.733 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.839 -1.554 -3.653 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.325 -2.329 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.474 -0.556 -3.099 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.697 0.435 -6.685 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.415 -1.319 -6.784 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.885 -0.579 -5.235 1.00 0.00 H new ATOM 295 N GLN A 901 -3.347 -3.641 -4.718 1.00 0.00 N ATOM 296 CA GLN A 901 -2.835 -4.830 -4.046 1.00 0.00 C ATOM 297 C GLN A 901 -1.317 -4.770 -3.918 1.00 0.00 C ATOM 298 O GLN A 901 -0.764 -5.026 -2.849 1.00 0.00 O ATOM 299 CB GLN A 901 -3.245 -6.090 -4.810 1.00 0.00 C ATOM 300 CG GLN A 901 -4.720 -6.431 -4.674 1.00 0.00 C ATOM 301 CD GLN A 901 -5.166 -6.528 -3.228 1.00 0.00 C ATOM 302 OE1 GLN A 901 -5.566 -5.534 -2.622 1.00 0.00 O ATOM 303 NE2 GLN A 901 -5.098 -7.730 -2.667 1.00 0.00 N ATOM 0 H GLN A 901 -3.902 -3.834 -5.552 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.265 -4.865 -3.045 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -3.007 -5.958 -5.866 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.652 -6.931 -4.452 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -5.313 -5.671 -5.183 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -4.918 -7.378 -5.176 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -4.760 -8.527 -3.207 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -5.384 -7.857 -1.696 1.00 0.00 H new ATOM 312 N ASN A 902 -0.647 -4.432 -5.015 1.00 0.00 N ATOM 313 CA ASN A 902 0.808 -4.340 -5.025 1.00 0.00 C ATOM 314 C ASN A 902 1.296 -3.332 -3.989 1.00 0.00 C ATOM 315 O ASN A 902 2.266 -3.581 -3.273 1.00 0.00 O ATOM 316 CB ASN A 902 1.305 -3.941 -6.416 1.00 0.00 C ATOM 317 CG ASN A 902 1.547 -5.142 -7.310 1.00 0.00 C ATOM 318 OD1 ASN A 902 1.915 -6.217 -6.837 1.00 0.00 O ATOM 319 ND2 ASN A 902 1.341 -4.963 -8.609 1.00 0.00 N ATOM 0 H ASN A 902 -1.089 -4.217 -5.909 1.00 0.00 H new ATOM 0 HA ASN A 902 1.211 -5.320 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.573 -3.284 -6.886 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.229 -3.371 -6.319 1.00 0.00 H new ATOM 0 HD21 ASN A 902 1.488 -5.735 -9.260 1.00 0.00 H new ATOM 0 HD22 ASN A 902 1.036 -4.054 -8.956 1.00 0.00 H new ATOM 326 N PHE A 903 0.617 -2.192 -3.915 1.00 0.00 N ATOM 327 CA PHE A 903 0.981 -1.145 -2.967 1.00 0.00 C ATOM 328 C PHE A 903 1.019 -1.690 -1.543 1.00 0.00 C ATOM 329 O PHE A 903 2.041 -1.607 -0.861 1.00 0.00 O ATOM 330 CB PHE A 903 -0.009 0.018 -3.054 1.00 0.00 C ATOM 331 CG PHE A 903 0.524 1.303 -2.486 1.00 0.00 C ATOM 332 CD1 PHE A 903 1.600 1.943 -3.078 1.00 0.00 C ATOM 333 CD2 PHE A 903 -0.053 1.869 -1.361 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.093 3.125 -2.558 1.00 0.00 C ATOM 335 CE2 PHE A 903 0.435 3.051 -0.837 1.00 0.00 C ATOM 336 CZ PHE A 903 1.510 3.680 -1.436 1.00 0.00 C ATOM 0 H PHE A 903 -0.188 -1.970 -4.500 1.00 0.00 H new ATOM 0 HA PHE A 903 1.977 -0.785 -3.226 1.00 0.00 H new ATOM 0 HB2 PHE A 903 -0.280 0.176 -4.098 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.923 -0.253 -2.525 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.059 1.514 -3.956 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.893 1.381 -0.889 1.00 0.00 H new ATOM 0 HE1 PHE A 903 2.933 3.614 -3.029 1.00 0.00 H new ATOM 0 HE2 PHE A 903 -0.024 3.483 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 903 1.893 4.603 -1.028 1.00 0.00 H new ATOM 346 N LYS A 904 -0.102 -2.248 -1.099 1.00 0.00 N ATOM 347 CA LYS A 904 -0.199 -2.808 0.244 1.00 0.00 C ATOM 348 C LYS A 904 0.965 -3.752 0.525 1.00 0.00 C ATOM 349 O LYS A 904 1.744 -3.533 1.452 1.00 0.00 O ATOM 350 CB LYS A 904 -1.526 -3.552 0.413 1.00 0.00 C ATOM 351 CG LYS A 904 -2.703 -2.638 0.703 1.00 0.00 C ATOM 352 CD LYS A 904 -3.351 -2.139 -0.578 1.00 0.00 C ATOM 353 CE LYS A 904 -4.792 -1.712 -0.344 1.00 0.00 C ATOM 354 NZ LYS A 904 -5.739 -2.851 -0.494 1.00 0.00 N ATOM 0 H LYS A 904 -0.957 -2.325 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 904 -0.157 -1.986 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.733 -4.120 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.428 -4.273 1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -3.441 -3.173 1.301 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.367 -1.788 1.297 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -2.781 -1.298 -0.972 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -3.321 -2.925 -1.332 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -4.888 -1.289 0.656 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -5.057 -0.924 -1.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -6.549 -2.555 -1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -5.254 -3.647 -0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -6.076 -3.148 0.444 1.00 0.00 H new ATOM 368 N ALA A 905 1.078 -4.801 -0.283 1.00 0.00 N ATOM 369 CA ALA A 905 2.150 -5.777 -0.123 1.00 0.00 C ATOM 370 C ALA A 905 3.512 -5.092 -0.071 1.00 0.00 C ATOM 371 O ALA A 905 4.384 -5.481 0.706 1.00 0.00 O ATOM 372 CB ALA A 905 2.111 -6.794 -1.253 1.00 0.00 C ATOM 0 H ALA A 905 0.441 -4.997 -1.055 1.00 0.00 H new ATOM 0 HA ALA A 905 1.997 -6.296 0.823 1.00 0.00 H new ATOM 0 HB1 ALA A 905 2.917 -7.516 -1.121 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.153 -7.313 -1.242 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.236 -6.282 -2.207 1.00 0.00 H new ATOM 378 N LEU A 906 3.688 -4.072 -0.904 1.00 0.00 N ATOM 379 CA LEU A 906 4.945 -3.334 -0.954 1.00 0.00 C ATOM 380 C LEU A 906 5.188 -2.583 0.351 1.00 0.00 C ATOM 381 O LEU A 906 6.319 -2.501 0.831 1.00 0.00 O ATOM 382 CB LEU A 906 4.936 -2.352 -2.127 1.00 0.00 C ATOM 383 CG LEU A 906 5.968 -1.225 -2.067 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.362 -1.763 -2.347 1.00 0.00 C ATOM 385 CD2 LEU A 906 5.611 -0.122 -3.053 1.00 0.00 C ATOM 0 H LEU A 906 2.976 -3.737 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 906 5.754 -4.051 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.095 -2.915 -3.047 1.00 0.00 H new ATOM 0 HB3 LEU A 906 3.944 -1.906 -2.194 1.00 0.00 H new ATOM 0 HG LEU A 906 5.959 -0.803 -1.062 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.083 -0.947 -2.300 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.618 -2.516 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.386 -2.212 -3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 906 6.356 0.672 -2.997 1.00 0.00 H new ATOM 0 HD22 LEU A 906 5.591 -0.530 -4.064 1.00 0.00 H new ATOM 0 HD23 LEU A 906 4.630 0.283 -2.806 1.00 0.00 H new ATOM 397 N LEU A 907 4.119 -2.039 0.922 1.00 0.00 N ATOM 398 CA LEU A 907 4.215 -1.296 2.174 1.00 0.00 C ATOM 399 C LEU A 907 4.565 -2.225 3.332 1.00 0.00 C ATOM 400 O LEU A 907 5.243 -1.825 4.278 1.00 0.00 O ATOM 401 CB LEU A 907 2.898 -0.574 2.464 1.00 0.00 C ATOM 402 CG LEU A 907 2.535 0.568 1.513 1.00 0.00 C ATOM 403 CD1 LEU A 907 1.047 0.873 1.589 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.353 1.810 1.835 1.00 0.00 C ATOM 0 H LEU A 907 3.176 -2.098 0.538 1.00 0.00 H new ATOM 0 HA LEU A 907 5.011 -0.558 2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 907 2.092 -1.308 2.443 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.940 -0.176 3.478 1.00 0.00 H new ATOM 0 HG LEU A 907 2.770 0.257 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.807 1.688 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.479 -0.014 1.309 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.787 1.164 2.607 1.00 0.00 H new ATOM 0 HD21 LEU A 907 3.082 2.612 1.149 1.00 0.00 H new ATOM 0 HD22 LEU A 907 3.150 2.124 2.859 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.414 1.585 1.728 1.00 0.00 H new ATOM 416 N SER A 908 4.098 -3.467 3.250 1.00 0.00 N ATOM 417 CA SER A 908 4.360 -4.452 4.292 1.00 0.00 C ATOM 418 C SER A 908 5.728 -5.098 4.098 1.00 0.00 C ATOM 419 O SER A 908 6.353 -5.555 5.055 1.00 0.00 O ATOM 420 CB SER A 908 3.271 -5.527 4.292 1.00 0.00 C ATOM 421 OG SER A 908 3.600 -6.586 5.175 1.00 0.00 O ATOM 0 H SER A 908 3.536 -3.815 2.473 1.00 0.00 H new ATOM 0 HA SER A 908 4.354 -3.938 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 908 2.319 -5.085 4.588 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.141 -5.918 3.283 1.00 0.00 H new ATOM 0 HG SER A 908 2.888 -7.259 5.158 1.00 0.00 H new ATOM 427 N ASP A 909 6.187 -5.132 2.852 1.00 0.00 N ATOM 428 CA ASP A 909 7.482 -5.721 2.530 1.00 0.00 C ATOM 429 C ASP A 909 8.620 -4.812 2.984 1.00 0.00 C ATOM 430 O ASP A 909 9.629 -5.281 3.510 1.00 0.00 O ATOM 431 CB ASP A 909 7.589 -5.980 1.026 1.00 0.00 C ATOM 432 CG ASP A 909 8.516 -7.135 0.702 1.00 0.00 C ATOM 433 OD1 ASP A 909 9.740 -6.984 0.894 1.00 0.00 O ATOM 434 OD2 ASP A 909 8.017 -8.189 0.255 1.00 0.00 O ATOM 0 H ASP A 909 5.682 -4.759 2.048 1.00 0.00 H new ATOM 0 HA ASP A 909 7.564 -6.669 3.061 1.00 0.00 H new ATOM 0 HB2 ASP A 909 6.597 -6.190 0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 909 7.949 -5.079 0.530 1.00 0.00 H new ATOM 439 N MET A 910 8.450 -3.511 2.775 1.00 0.00 N ATOM 440 CA MET A 910 9.464 -2.537 3.164 1.00 0.00 C ATOM 441 C MET A 910 9.165 -1.962 4.545 1.00 0.00 C ATOM 442 O MET A 910 9.905 -2.198 5.500 1.00 0.00 O ATOM 443 CB MET A 910 9.538 -1.408 2.134 1.00 0.00 C ATOM 444 CG MET A 910 9.522 -1.896 0.695 1.00 0.00 C ATOM 445 SD MET A 910 11.100 -2.603 0.184 1.00 0.00 S ATOM 446 CE MET A 910 12.031 -1.119 -0.191 1.00 0.00 C ATOM 0 H MET A 910 7.621 -3.107 2.339 1.00 0.00 H new ATOM 0 HA MET A 910 10.426 -3.048 3.203 1.00 0.00 H new ATOM 0 HB2 MET A 910 8.698 -0.731 2.289 1.00 0.00 H new ATOM 0 HB3 MET A 910 10.448 -0.832 2.303 1.00 0.00 H new ATOM 0 HG2 MET A 910 8.738 -2.644 0.578 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.270 -1.065 0.036 1.00 0.00 H new ATOM 0 HE1 MET A 910 13.033 -1.392 -0.522 1.00 0.00 H new ATOM 0 HE2 MET A 910 11.527 -0.563 -0.981 1.00 0.00 H new ATOM 0 HE3 MET A 910 12.101 -0.498 0.702 1.00 0.00 H new ATOM 456 N VAL A 911 8.075 -1.206 4.643 1.00 0.00 N ATOM 457 CA VAL A 911 7.678 -0.599 5.908 1.00 0.00 C ATOM 458 C VAL A 911 7.024 -1.623 6.828 1.00 0.00 C ATOM 459 O VAL A 911 5.917 -1.410 7.323 1.00 0.00 O ATOM 460 CB VAL A 911 6.703 0.573 5.686 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.644 1.460 6.920 1.00 0.00 C ATOM 462 CG2 VAL A 911 7.108 1.377 4.460 1.00 0.00 C ATOM 0 H VAL A 911 7.452 -1.000 3.862 1.00 0.00 H new ATOM 0 HA VAL A 911 8.587 -0.222 6.377 1.00 0.00 H new ATOM 0 HB VAL A 911 5.707 0.166 5.513 1.00 0.00 H new ATOM 0 HG11 VAL A 911 5.950 2.282 6.744 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.303 0.874 7.773 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.636 1.861 7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 911 6.409 2.201 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 911 8.113 1.774 4.601 1.00 0.00 H new ATOM 0 HG23 VAL A 911 7.093 0.733 3.581 1.00 0.00 H new ATOM 472 N ARG A 912 7.716 -2.735 7.053 1.00 0.00 N ATOM 473 CA ARG A 912 7.201 -3.794 7.914 1.00 0.00 C ATOM 474 C ARG A 912 7.009 -3.289 9.341 1.00 0.00 C ATOM 475 O ARG A 912 6.354 -3.938 10.157 1.00 0.00 O ATOM 476 CB ARG A 912 8.153 -4.992 7.909 1.00 0.00 C ATOM 477 CG ARG A 912 9.455 -4.739 8.652 1.00 0.00 C ATOM 478 CD ARG A 912 10.508 -5.777 8.298 1.00 0.00 C ATOM 479 NE ARG A 912 11.699 -5.655 9.135 1.00 0.00 N ATOM 480 CZ ARG A 912 12.578 -6.635 9.310 1.00 0.00 C ATOM 481 NH1 ARG A 912 12.401 -7.804 8.709 1.00 0.00 N ATOM 482 NH2 ARG A 912 13.637 -6.447 10.087 1.00 0.00 N ATOM 0 H ARG A 912 8.634 -2.926 6.652 1.00 0.00 H new ATOM 0 HA ARG A 912 6.232 -4.107 7.524 1.00 0.00 H new ATOM 0 HB2 ARG A 912 7.649 -5.848 8.358 1.00 0.00 H new ATOM 0 HB3 ARG A 912 8.380 -5.261 6.877 1.00 0.00 H new ATOM 0 HG2 ARG A 912 9.827 -3.744 8.408 1.00 0.00 H new ATOM 0 HG3 ARG A 912 9.272 -4.757 9.726 1.00 0.00 H new ATOM 0 HD2 ARG A 912 10.086 -6.775 8.412 1.00 0.00 H new ATOM 0 HD3 ARG A 912 10.788 -5.667 7.250 1.00 0.00 H new ATOM 0 HE ARG A 912 11.865 -4.768 9.611 1.00 0.00 H new ATOM 0 HH11 ARG A 912 11.588 -7.952 8.111 1.00 0.00 H new ATOM 0 HH12 ARG A 912 13.078 -8.555 8.845 1.00 0.00 H new ATOM 0 HH21 ARG A 912 13.777 -5.549 10.551 1.00 0.00 H new ATOM 0 HH22 ARG A 912 14.312 -7.200 10.221 1.00 0.00 H new ATOM 496 N SER A 913 7.586 -2.128 9.635 1.00 0.00 N ATOM 497 CA SER A 913 7.482 -1.538 10.965 1.00 0.00 C ATOM 498 C SER A 913 6.174 -0.767 11.116 1.00 0.00 C ATOM 499 O SER A 913 5.423 -0.602 10.155 1.00 0.00 O ATOM 500 CB SER A 913 8.669 -0.609 11.228 1.00 0.00 C ATOM 501 OG SER A 913 9.862 -1.348 11.421 1.00 0.00 O ATOM 0 H SER A 913 8.130 -1.578 8.971 1.00 0.00 H new ATOM 0 HA SER A 913 7.494 -2.346 11.696 1.00 0.00 H new ATOM 0 HB2 SER A 913 8.793 0.075 10.388 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.469 0.001 12.109 1.00 0.00 H new ATOM 0 HG SER A 913 10.606 -0.731 11.585 1.00 0.00 H new ATOM 507 N SER A 914 5.909 -0.297 12.331 1.00 0.00 N ATOM 508 CA SER A 914 4.691 0.454 12.611 1.00 0.00 C ATOM 509 C SER A 914 5.020 1.839 13.158 1.00 0.00 C ATOM 510 O SER A 914 4.322 2.813 12.874 1.00 0.00 O ATOM 511 CB SER A 914 3.816 -0.307 13.610 1.00 0.00 C ATOM 512 OG SER A 914 4.490 -0.486 14.844 1.00 0.00 O ATOM 0 H SER A 914 6.521 -0.423 13.137 1.00 0.00 H new ATOM 0 HA SER A 914 4.144 0.573 11.676 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.887 0.239 13.775 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.545 -1.278 13.195 1.00 0.00 H new ATOM 0 HG SER A 914 3.910 -0.973 15.466 1.00 0.00 H new ATOM 518 N ASP A 915 6.088 1.919 13.944 1.00 0.00 N ATOM 519 CA ASP A 915 6.512 3.185 14.531 1.00 0.00 C ATOM 520 C ASP A 915 7.300 4.015 13.523 1.00 0.00 C ATOM 521 O ASP A 915 8.371 4.537 13.834 1.00 0.00 O ATOM 522 CB ASP A 915 7.361 2.935 15.779 1.00 0.00 C ATOM 523 CG ASP A 915 6.535 2.447 16.953 1.00 0.00 C ATOM 524 OD1 ASP A 915 5.479 3.055 17.229 1.00 0.00 O ATOM 525 OD2 ASP A 915 6.944 1.458 17.596 1.00 0.00 O ATOM 0 H ASP A 915 6.676 1.122 14.189 1.00 0.00 H new ATOM 0 HA ASP A 915 5.619 3.742 14.814 1.00 0.00 H new ATOM 0 HB2 ASP A 915 8.131 2.199 15.549 1.00 0.00 H new ATOM 0 HB3 ASP A 915 7.873 3.856 16.057 1.00 0.00 H new ATOM 530 N VAL A 916 6.764 4.131 12.312 1.00 0.00 N ATOM 531 CA VAL A 916 7.417 4.897 11.257 1.00 0.00 C ATOM 532 C VAL A 916 6.608 6.139 10.899 1.00 0.00 C ATOM 533 O VAL A 916 5.459 6.286 11.316 1.00 0.00 O ATOM 534 CB VAL A 916 7.620 4.047 9.989 1.00 0.00 C ATOM 535 CG1 VAL A 916 8.467 2.822 10.298 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.277 3.642 9.399 1.00 0.00 C ATOM 0 H VAL A 916 5.879 3.704 12.037 1.00 0.00 H new ATOM 0 HA VAL A 916 8.391 5.199 11.642 1.00 0.00 H new ATOM 0 HB VAL A 916 8.149 4.648 9.250 1.00 0.00 H new ATOM 0 HG11 VAL A 916 8.600 2.233 9.390 1.00 0.00 H new ATOM 0 HG12 VAL A 916 9.441 3.138 10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 916 7.968 2.216 11.054 1.00 0.00 H new ATOM 0 HG21 VAL A 916 6.439 3.042 8.504 1.00 0.00 H new ATOM 0 HG22 VAL A 916 5.719 3.058 10.131 1.00 0.00 H new ATOM 0 HG23 VAL A 916 5.709 4.536 9.139 1.00 0.00 H new ATOM 546 N SER A 917 7.215 7.030 10.122 1.00 0.00 N ATOM 547 CA SER A 917 6.553 8.262 9.709 1.00 0.00 C ATOM 548 C SER A 917 6.169 8.204 8.234 1.00 0.00 C ATOM 549 O SER A 917 6.862 7.588 7.424 1.00 0.00 O ATOM 550 CB SER A 917 7.463 9.465 9.964 1.00 0.00 C ATOM 551 OG SER A 917 7.398 9.876 11.319 1.00 0.00 O ATOM 0 H SER A 917 8.165 6.922 9.766 1.00 0.00 H new ATOM 0 HA SER A 917 5.643 8.372 10.299 1.00 0.00 H new ATOM 0 HB2 SER A 917 8.491 9.208 9.708 1.00 0.00 H new ATOM 0 HB3 SER A 917 7.170 10.291 9.316 1.00 0.00 H new ATOM 0 HG SER A 917 7.990 10.645 11.456 1.00 0.00 H new ATOM 557 N TRP A 918 5.060 8.850 7.892 1.00 0.00 N ATOM 558 CA TRP A 918 4.582 8.873 6.514 1.00 0.00 C ATOM 559 C TRP A 918 5.678 9.348 5.566 1.00 0.00 C ATOM 560 O TRP A 918 6.072 8.629 4.648 1.00 0.00 O ATOM 561 CB TRP A 918 3.356 9.780 6.392 1.00 0.00 C ATOM 562 CG TRP A 918 3.074 10.211 4.985 1.00 0.00 C ATOM 563 CD1 TRP A 918 2.778 11.474 4.558 1.00 0.00 C ATOM 564 CD2 TRP A 918 3.058 9.378 3.821 1.00 0.00 C ATOM 565 NE1 TRP A 918 2.580 11.476 3.199 1.00 0.00 N ATOM 566 CE2 TRP A 918 2.747 10.203 2.722 1.00 0.00 C ATOM 567 CE3 TRP A 918 3.280 8.016 3.598 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.650 9.709 1.424 1.00 0.00 C ATOM 569 CZ3 TRP A 918 3.183 7.527 2.309 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.872 8.372 1.236 1.00 0.00 C ATOM 0 H TRP A 918 4.475 9.365 8.550 1.00 0.00 H new ATOM 0 HA TRP A 918 4.302 7.857 6.236 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.485 9.256 6.785 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.504 10.664 7.013 1.00 0.00 H new ATOM 0 HD1 TRP A 918 2.710 12.343 5.195 1.00 0.00 H new ATOM 0 HE1 TRP A 918 2.346 12.294 2.636 1.00 0.00 H new ATOM 0 HE3 TRP A 918 3.523 7.357 4.419 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.408 10.358 0.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 3.350 6.476 2.126 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.806 7.960 0.240 1.00 0.00 H new ATOM 581 N SER A 919 6.165 10.563 5.794 1.00 0.00 N ATOM 582 CA SER A 919 7.213 11.136 4.957 1.00 0.00 C ATOM 583 C SER A 919 8.339 10.131 4.733 1.00 0.00 C ATOM 584 O SER A 919 8.740 9.874 3.598 1.00 0.00 O ATOM 585 CB SER A 919 7.770 12.408 5.599 1.00 0.00 C ATOM 586 OG SER A 919 8.428 13.217 4.639 1.00 0.00 O ATOM 0 H SER A 919 5.851 11.170 6.551 1.00 0.00 H new ATOM 0 HA SER A 919 6.775 11.387 3.991 1.00 0.00 H new ATOM 0 HB2 SER A 919 6.959 12.972 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 919 8.466 12.143 6.395 1.00 0.00 H new ATOM 0 HG SER A 919 8.774 14.025 5.073 1.00 0.00 H new ATOM 592 N ASP A 920 8.845 9.566 5.824 1.00 0.00 N ATOM 593 CA ASP A 920 9.924 8.588 5.749 1.00 0.00 C ATOM 594 C ASP A 920 9.613 7.514 4.710 1.00 0.00 C ATOM 595 O ASP A 920 10.403 7.270 3.797 1.00 0.00 O ATOM 596 CB ASP A 920 10.151 7.942 7.116 1.00 0.00 C ATOM 597 CG ASP A 920 10.567 8.949 8.170 1.00 0.00 C ATOM 598 OD1 ASP A 920 10.019 10.071 8.168 1.00 0.00 O ATOM 599 OD2 ASP A 920 11.440 8.614 8.998 1.00 0.00 O ATOM 0 H ASP A 920 8.525 9.769 6.771 1.00 0.00 H new ATOM 0 HA ASP A 920 10.833 9.108 5.446 1.00 0.00 H new ATOM 0 HB2 ASP A 920 9.236 7.443 7.435 1.00 0.00 H new ATOM 0 HB3 ASP A 920 10.919 7.174 7.029 1.00 0.00 H new ATOM 604 N THR A 921 8.457 6.874 4.856 1.00 0.00 N ATOM 605 CA THR A 921 8.042 5.825 3.933 1.00 0.00 C ATOM 606 C THR A 921 7.889 6.369 2.517 1.00 0.00 C ATOM 607 O THR A 921 8.320 5.740 1.551 1.00 0.00 O ATOM 608 CB THR A 921 6.712 5.184 4.372 1.00 0.00 C ATOM 609 OG1 THR A 921 6.891 4.481 5.606 1.00 0.00 O ATOM 610 CG2 THR A 921 6.196 4.228 3.308 1.00 0.00 C ATOM 0 H THR A 921 7.791 7.064 5.605 1.00 0.00 H new ATOM 0 HA THR A 921 8.823 5.065 3.945 1.00 0.00 H new ATOM 0 HB THR A 921 5.979 5.979 4.511 1.00 0.00 H new ATOM 0 HG1 THR A 921 6.017 4.313 6.016 1.00 0.00 H new ATOM 0 HG21 THR A 921 5.256 3.787 3.640 1.00 0.00 H new ATOM 0 HG22 THR A 921 6.033 4.772 2.378 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.929 3.438 3.143 1.00 0.00 H new ATOM 618 N ARG A 922 7.272 7.540 2.401 1.00 0.00 N ATOM 619 CA ARG A 922 7.061 8.167 1.102 1.00 0.00 C ATOM 620 C ARG A 922 8.326 8.093 0.251 1.00 0.00 C ATOM 621 O ARG A 922 8.316 7.532 -0.844 1.00 0.00 O ATOM 622 CB ARG A 922 6.637 9.627 1.279 1.00 0.00 C ATOM 623 CG ARG A 922 5.755 10.145 0.156 1.00 0.00 C ATOM 624 CD ARG A 922 5.472 11.631 0.311 1.00 0.00 C ATOM 625 NE ARG A 922 6.475 12.453 -0.362 1.00 0.00 N ATOM 626 CZ ARG A 922 6.681 13.735 -0.084 1.00 0.00 C ATOM 627 NH1 ARG A 922 5.958 14.339 0.849 1.00 0.00 N ATOM 628 NH2 ARG A 922 7.613 14.416 -0.739 1.00 0.00 N ATOM 0 H ARG A 922 6.909 8.074 3.191 1.00 0.00 H new ATOM 0 HA ARG A 922 6.266 7.625 0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 922 6.105 9.730 2.225 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.529 10.250 1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 922 6.241 9.964 -0.803 1.00 0.00 H new ATOM 0 HG3 ARG A 922 4.815 9.593 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 922 4.486 11.857 -0.096 1.00 0.00 H new ATOM 0 HD3 ARG A 922 5.446 11.886 1.370 1.00 0.00 H new ATOM 0 HE ARG A 922 7.048 12.018 -1.085 1.00 0.00 H new ATOM 0 HH11 ARG A 922 5.241 13.819 1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 922 6.118 15.324 1.060 1.00 0.00 H new ATOM 0 HH21 ARG A 922 8.172 13.955 -1.457 1.00 0.00 H new ATOM 0 HH22 ARG A 922 7.770 15.401 -0.525 1.00 0.00 H new ATOM 642 N ARG A 923 9.411 8.665 0.763 1.00 0.00 N ATOM 643 CA ARG A 923 10.683 8.665 0.049 1.00 0.00 C ATOM 644 C ARG A 923 11.193 7.241 -0.153 1.00 0.00 C ATOM 645 O ARG A 923 11.564 6.854 -1.261 1.00 0.00 O ATOM 646 CB ARG A 923 11.721 9.487 0.815 1.00 0.00 C ATOM 647 CG ARG A 923 11.521 10.988 0.692 1.00 0.00 C ATOM 648 CD ARG A 923 12.282 11.742 1.771 1.00 0.00 C ATOM 649 NE ARG A 923 11.994 13.174 1.745 1.00 0.00 N ATOM 650 CZ ARG A 923 12.365 14.015 2.704 1.00 0.00 C ATOM 651 NH1 ARG A 923 13.035 13.570 3.758 1.00 0.00 N ATOM 652 NH2 ARG A 923 12.066 15.304 2.609 1.00 0.00 N ATOM 0 H ARG A 923 9.435 9.134 1.668 1.00 0.00 H new ATOM 0 HA ARG A 923 10.522 9.117 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 923 11.686 9.210 1.869 1.00 0.00 H new ATOM 0 HB3 ARG A 923 12.716 9.231 0.451 1.00 0.00 H new ATOM 0 HG2 ARG A 923 11.855 11.321 -0.291 1.00 0.00 H new ATOM 0 HG3 ARG A 923 10.459 11.222 0.764 1.00 0.00 H new ATOM 0 HD2 ARG A 923 12.021 11.337 2.749 1.00 0.00 H new ATOM 0 HD3 ARG A 923 13.352 11.585 1.637 1.00 0.00 H new ATOM 0 HE ARG A 923 11.480 13.548 0.947 1.00 0.00 H new ATOM 0 HH11 ARG A 923 13.267 12.580 3.834 1.00 0.00 H new ATOM 0 HH12 ARG A 923 13.319 14.218 4.493 1.00 0.00 H new ATOM 0 HH21 ARG A 923 11.551 15.650 1.799 1.00 0.00 H new ATOM 0 HH22 ARG A 923 12.351 15.949 3.346 1.00 0.00 H new ATOM 666 N THR A 924 11.210 6.465 0.927 1.00 0.00 N ATOM 667 CA THR A 924 11.676 5.085 0.869 1.00 0.00 C ATOM 668 C THR A 924 11.145 4.377 -0.372 1.00 0.00 C ATOM 669 O THR A 924 11.908 3.777 -1.131 1.00 0.00 O ATOM 670 CB THR A 924 11.248 4.295 2.120 1.00 0.00 C ATOM 671 OG1 THR A 924 11.717 4.955 3.301 1.00 0.00 O ATOM 672 CG2 THR A 924 11.793 2.876 2.076 1.00 0.00 C ATOM 0 H THR A 924 10.906 6.769 1.852 1.00 0.00 H new ATOM 0 HA THR A 924 12.765 5.120 0.825 1.00 0.00 H new ATOM 0 HB THR A 924 10.159 4.249 2.138 1.00 0.00 H new ATOM 0 HG1 THR A 924 11.114 5.694 3.524 1.00 0.00 H new ATOM 0 HG21 THR A 924 11.478 2.337 2.970 1.00 0.00 H new ATOM 0 HG22 THR A 924 11.411 2.367 1.191 1.00 0.00 H new ATOM 0 HG23 THR A 924 12.882 2.906 2.035 1.00 0.00 H new ATOM 680 N LEU A 925 9.834 4.451 -0.575 1.00 0.00 N ATOM 681 CA LEU A 925 9.201 3.817 -1.726 1.00 0.00 C ATOM 682 C LEU A 925 9.625 4.497 -3.024 1.00 0.00 C ATOM 683 O LEU A 925 10.075 3.839 -3.962 1.00 0.00 O ATOM 684 CB LEU A 925 7.678 3.865 -1.586 1.00 0.00 C ATOM 685 CG LEU A 925 7.109 3.341 -0.267 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.624 3.651 -0.166 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.353 1.845 -0.137 1.00 0.00 C ATOM 0 H LEU A 925 9.189 4.944 0.043 1.00 0.00 H new ATOM 0 HA LEU A 925 9.524 2.777 -1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.354 4.898 -1.714 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.240 3.290 -2.402 1.00 0.00 H new ATOM 0 HG LEU A 925 7.621 3.845 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.236 3.271 0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.474 4.730 -0.212 1.00 0.00 H new ATOM 0 HD13 LEU A 925 5.096 3.175 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 925 6.941 1.490 0.808 1.00 0.00 H new ATOM 0 HD22 LEU A 925 6.868 1.324 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.425 1.648 -0.163 1.00 0.00 H new ATOM 699 N ARG A 926 9.480 5.817 -3.069 1.00 0.00 N ATOM 700 CA ARG A 926 9.850 6.586 -4.251 1.00 0.00 C ATOM 701 C ARG A 926 11.072 5.980 -4.934 1.00 0.00 C ATOM 702 O ARG A 926 11.035 5.651 -6.120 1.00 0.00 O ATOM 703 CB ARG A 926 10.133 8.041 -3.872 1.00 0.00 C ATOM 704 CG ARG A 926 8.886 8.908 -3.809 1.00 0.00 C ATOM 705 CD ARG A 926 9.224 10.382 -3.971 1.00 0.00 C ATOM 706 NE ARG A 926 8.062 11.167 -4.380 1.00 0.00 N ATOM 707 CZ ARG A 926 8.053 12.495 -4.429 1.00 0.00 C ATOM 708 NH1 ARG A 926 9.138 13.181 -4.096 1.00 0.00 N ATOM 709 NH2 ARG A 926 6.958 13.138 -4.812 1.00 0.00 N ATOM 0 H ARG A 926 9.109 6.376 -2.301 1.00 0.00 H new ATOM 0 HA ARG A 926 9.013 6.556 -4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 926 10.631 8.065 -2.903 1.00 0.00 H new ATOM 0 HB3 ARG A 926 10.826 8.468 -4.597 1.00 0.00 H new ATOM 0 HG2 ARG A 926 8.191 8.605 -4.592 1.00 0.00 H new ATOM 0 HG3 ARG A 926 8.381 8.752 -2.856 1.00 0.00 H new ATOM 0 HD2 ARG A 926 9.611 10.771 -3.029 1.00 0.00 H new ATOM 0 HD3 ARG A 926 10.016 10.493 -4.712 1.00 0.00 H new ATOM 0 HE ARG A 926 7.211 10.669 -4.642 1.00 0.00 H new ATOM 0 HH11 ARG A 926 9.982 12.689 -3.802 1.00 0.00 H new ATOM 0 HH12 ARG A 926 9.129 14.200 -4.134 1.00 0.00 H new ATOM 0 HH21 ARG A 926 6.122 12.613 -5.069 1.00 0.00 H new ATOM 0 HH22 ARG A 926 6.952 14.157 -4.849 1.00 0.00 H new ATOM 723 N LYS A 927 12.155 5.836 -4.178 1.00 0.00 N ATOM 724 CA LYS A 927 13.389 5.269 -4.708 1.00 0.00 C ATOM 725 C LYS A 927 13.146 3.877 -5.283 1.00 0.00 C ATOM 726 O LYS A 927 13.685 3.525 -6.333 1.00 0.00 O ATOM 727 CB LYS A 927 14.455 5.200 -3.612 1.00 0.00 C ATOM 728 CG LYS A 927 14.849 6.560 -3.061 1.00 0.00 C ATOM 729 CD LYS A 927 15.914 6.437 -1.984 1.00 0.00 C ATOM 730 CE LYS A 927 16.347 7.802 -1.471 1.00 0.00 C ATOM 731 NZ LYS A 927 17.334 7.690 -0.362 1.00 0.00 N ATOM 0 H LYS A 927 12.203 6.105 -3.195 1.00 0.00 H new ATOM 0 HA LYS A 927 13.742 5.918 -5.510 1.00 0.00 H new ATOM 0 HB2 LYS A 927 14.085 4.580 -2.796 1.00 0.00 H new ATOM 0 HB3 LYS A 927 15.342 4.707 -4.010 1.00 0.00 H new ATOM 0 HG2 LYS A 927 15.220 7.188 -3.871 1.00 0.00 H new ATOM 0 HG3 LYS A 927 13.970 7.056 -2.650 1.00 0.00 H new ATOM 0 HD2 LYS A 927 15.529 5.841 -1.156 1.00 0.00 H new ATOM 0 HD3 LYS A 927 16.778 5.906 -2.384 1.00 0.00 H new ATOM 0 HE2 LYS A 927 16.783 8.376 -2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 927 15.473 8.354 -1.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 17.604 8.641 -0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 16.910 7.165 0.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 18.179 7.186 -0.699 1.00 0.00 H new ATOM 745 N ASP A 928 12.330 3.090 -4.590 1.00 0.00 N ATOM 746 CA ASP A 928 12.013 1.737 -5.033 1.00 0.00 C ATOM 747 C ASP A 928 11.579 1.732 -6.495 1.00 0.00 C ATOM 748 O ASP A 928 11.392 2.787 -7.102 1.00 0.00 O ATOM 749 CB ASP A 928 10.912 1.136 -4.158 1.00 0.00 C ATOM 750 CG ASP A 928 10.763 -0.359 -4.361 1.00 0.00 C ATOM 751 OD1 ASP A 928 11.785 -1.028 -4.621 1.00 0.00 O ATOM 752 OD2 ASP A 928 9.624 -0.860 -4.259 1.00 0.00 O ATOM 0 H ASP A 928 11.876 3.366 -3.719 1.00 0.00 H new ATOM 0 HA ASP A 928 12.913 1.129 -4.938 1.00 0.00 H new ATOM 0 HB2 ASP A 928 11.134 1.337 -3.110 1.00 0.00 H new ATOM 0 HB3 ASP A 928 9.965 1.626 -4.383 1.00 0.00 H new ATOM 757 N HIS A 929 11.421 0.538 -7.056 1.00 0.00 N ATOM 758 CA HIS A 929 11.008 0.395 -8.448 1.00 0.00 C ATOM 759 C HIS A 929 9.488 0.350 -8.562 1.00 0.00 C ATOM 760 O HIS A 929 8.887 1.137 -9.294 1.00 0.00 O ATOM 761 CB HIS A 929 11.615 -0.871 -9.055 1.00 0.00 C ATOM 762 CG HIS A 929 11.773 -0.805 -10.543 1.00 0.00 C ATOM 763 ND1 HIS A 929 10.752 -1.099 -11.422 1.00 0.00 N ATOM 764 CD2 HIS A 929 12.841 -0.475 -11.306 1.00 0.00 C ATOM 765 CE1 HIS A 929 11.186 -0.955 -12.661 1.00 0.00 C ATOM 766 NE2 HIS A 929 12.451 -0.576 -12.618 1.00 0.00 N ATOM 0 H HIS A 929 11.573 -0.345 -6.568 1.00 0.00 H new ATOM 0 HA HIS A 929 11.370 1.263 -8.999 1.00 0.00 H new ATOM 0 HB2 HIS A 929 12.590 -1.050 -8.602 1.00 0.00 H new ATOM 0 HB3 HIS A 929 10.985 -1.724 -8.802 1.00 0.00 H new ATOM 0 HD2 HIS A 929 13.818 -0.186 -10.949 1.00 0.00 H new ATOM 0 HE1 HIS A 929 10.606 -1.119 -13.557 1.00 0.00 H new ATOM 0 HE2 HIS A 929 13.042 -0.389 -13.428 1.00 0.00 H new ATOM 774 N ARG A 930 8.872 -0.576 -7.835 1.00 0.00 N ATOM 775 CA ARG A 930 7.421 -0.725 -7.856 1.00 0.00 C ATOM 776 C ARG A 930 6.734 0.635 -7.770 1.00 0.00 C ATOM 777 O ARG A 930 5.846 0.944 -8.564 1.00 0.00 O ATOM 778 CB ARG A 930 6.961 -1.615 -6.701 1.00 0.00 C ATOM 779 CG ARG A 930 7.341 -3.077 -6.869 1.00 0.00 C ATOM 780 CD ARG A 930 8.791 -3.324 -6.484 1.00 0.00 C ATOM 781 NE ARG A 930 9.022 -4.708 -6.079 1.00 0.00 N ATOM 782 CZ ARG A 930 10.186 -5.155 -5.621 1.00 0.00 C ATOM 783 NH1 ARG A 930 11.219 -4.332 -5.510 1.00 0.00 N ATOM 784 NH2 ARG A 930 10.318 -6.429 -5.273 1.00 0.00 N ATOM 0 H ARG A 930 9.355 -1.235 -7.224 1.00 0.00 H new ATOM 0 HA ARG A 930 7.143 -1.195 -8.799 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.391 -1.241 -5.772 1.00 0.00 H new ATOM 0 HB3 ARG A 930 5.878 -1.539 -6.604 1.00 0.00 H new ATOM 0 HG2 ARG A 930 6.689 -3.696 -6.253 1.00 0.00 H new ATOM 0 HG3 ARG A 930 7.182 -3.379 -7.904 1.00 0.00 H new ATOM 0 HD2 ARG A 930 9.437 -3.081 -7.328 1.00 0.00 H new ATOM 0 HD3 ARG A 930 9.068 -2.657 -5.668 1.00 0.00 H new ATOM 0 HE ARG A 930 8.247 -5.367 -6.152 1.00 0.00 H new ATOM 0 HH11 ARG A 930 11.121 -3.352 -5.777 1.00 0.00 H new ATOM 0 HH12 ARG A 930 12.111 -4.678 -5.158 1.00 0.00 H new ATOM 0 HH21 ARG A 930 9.525 -7.065 -5.357 1.00 0.00 H new ATOM 0 HH22 ARG A 930 11.212 -6.772 -4.921 1.00 0.00 H new ATOM 798 N TRP A 931 7.151 1.442 -6.801 1.00 0.00 N ATOM 799 CA TRP A 931 6.575 2.768 -6.611 1.00 0.00 C ATOM 800 C TRP A 931 6.227 3.408 -7.951 1.00 0.00 C ATOM 801 O TRP A 931 5.196 4.067 -8.083 1.00 0.00 O ATOM 802 CB TRP A 931 7.548 3.664 -5.842 1.00 0.00 C ATOM 803 CG TRP A 931 7.153 5.110 -5.845 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.465 6.043 -6.791 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.374 5.787 -4.852 1.00 0.00 C ATOM 806 NE1 TRP A 931 6.928 7.260 -6.447 1.00 0.00 N ATOM 807 CE2 TRP A 931 6.253 7.129 -5.263 1.00 0.00 C ATOM 808 CE3 TRP A 931 5.766 5.390 -3.658 1.00 0.00 C ATOM 809 CZ2 TRP A 931 5.549 8.073 -4.520 1.00 0.00 C ATOM 810 CZ3 TRP A 931 5.069 6.329 -2.922 1.00 0.00 C ATOM 811 CH2 TRP A 931 4.964 7.657 -3.355 1.00 0.00 C ATOM 0 H TRP A 931 7.885 1.201 -6.135 1.00 0.00 H new ATOM 0 HA TRP A 931 5.658 2.658 -6.033 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.615 3.315 -4.811 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.543 3.566 -6.277 1.00 0.00 H new ATOM 0 HD1 TRP A 931 8.048 5.853 -7.680 1.00 0.00 H new ATOM 0 HE1 TRP A 931 7.018 8.121 -6.986 1.00 0.00 H new ATOM 0 HE3 TRP A 931 5.840 4.368 -3.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 5.468 9.098 -4.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 4.597 6.034 -1.997 1.00 0.00 H new ATOM 0 HH2 TRP A 931 4.411 8.366 -2.758 1.00 0.00 H new ATOM 822 N GLU A 932 7.092 3.208 -8.940 1.00 0.00 N ATOM 823 CA GLU A 932 6.874 3.767 -10.269 1.00 0.00 C ATOM 824 C GLU A 932 5.448 3.500 -10.744 1.00 0.00 C ATOM 825 O GLU A 932 4.717 4.425 -11.098 1.00 0.00 O ATOM 826 CB GLU A 932 7.874 3.177 -11.265 1.00 0.00 C ATOM 827 CG GLU A 932 9.315 3.568 -10.985 1.00 0.00 C ATOM 828 CD GLU A 932 10.260 3.148 -12.093 1.00 0.00 C ATOM 829 OE1 GLU A 932 10.016 3.526 -13.258 1.00 0.00 O ATOM 830 OE2 GLU A 932 11.245 2.439 -11.796 1.00 0.00 O ATOM 0 H GLU A 932 7.949 2.664 -8.846 1.00 0.00 H new ATOM 0 HA GLU A 932 7.024 4.845 -10.211 1.00 0.00 H new ATOM 0 HB2 GLU A 932 7.792 2.090 -11.249 1.00 0.00 H new ATOM 0 HB3 GLU A 932 7.607 3.502 -12.271 1.00 0.00 H new ATOM 0 HG2 GLU A 932 9.375 4.648 -10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 932 9.635 3.113 -10.048 1.00 0.00 H new ATOM 837 N SER A 933 5.061 2.228 -10.749 1.00 0.00 N ATOM 838 CA SER A 933 3.725 1.838 -11.185 1.00 0.00 C ATOM 839 C SER A 933 2.666 2.346 -10.211 1.00 0.00 C ATOM 840 O SER A 933 1.573 2.740 -10.615 1.00 0.00 O ATOM 841 CB SER A 933 3.631 0.316 -11.311 1.00 0.00 C ATOM 842 OG SER A 933 4.724 -0.203 -12.048 1.00 0.00 O ATOM 0 H SER A 933 5.653 1.451 -10.456 1.00 0.00 H new ATOM 0 HA SER A 933 3.542 2.288 -12.161 1.00 0.00 H new ATOM 0 HB2 SER A 933 3.611 -0.134 -10.318 1.00 0.00 H new ATOM 0 HB3 SER A 933 2.696 0.046 -11.802 1.00 0.00 H new ATOM 0 HG SER A 933 4.642 -1.177 -12.113 1.00 0.00 H new ATOM 848 N GLY A 934 3.000 2.332 -8.924 1.00 0.00 N ATOM 849 CA GLY A 934 2.068 2.793 -7.912 1.00 0.00 C ATOM 850 C GLY A 934 1.587 4.208 -8.167 1.00 0.00 C ATOM 851 O GLY A 934 0.620 4.662 -7.556 1.00 0.00 O ATOM 0 H GLY A 934 3.899 2.010 -8.565 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.210 2.121 -7.880 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.546 2.746 -6.934 1.00 0.00 H new ATOM 855 N SER A 935 2.265 4.908 -9.071 1.00 0.00 N ATOM 856 CA SER A 935 1.906 6.282 -9.401 1.00 0.00 C ATOM 857 C SER A 935 0.391 6.443 -9.480 1.00 0.00 C ATOM 858 O SER A 935 -0.170 7.412 -8.967 1.00 0.00 O ATOM 859 CB SER A 935 2.543 6.693 -10.730 1.00 0.00 C ATOM 860 OG SER A 935 3.911 7.021 -10.559 1.00 0.00 O ATOM 0 H SER A 935 3.066 4.546 -9.588 1.00 0.00 H new ATOM 0 HA SER A 935 2.283 6.930 -8.610 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.448 5.880 -11.450 1.00 0.00 H new ATOM 0 HB3 SER A 935 2.009 7.549 -11.144 1.00 0.00 H new ATOM 0 HG SER A 935 4.461 6.225 -10.718 1.00 0.00 H new ATOM 866 N LEU A 936 -0.267 5.486 -10.125 1.00 0.00 N ATOM 867 CA LEU A 936 -1.718 5.519 -10.272 1.00 0.00 C ATOM 868 C LEU A 936 -2.379 6.079 -9.017 1.00 0.00 C ATOM 869 O LEU A 936 -3.204 6.991 -9.091 1.00 0.00 O ATOM 870 CB LEU A 936 -2.253 4.116 -10.563 1.00 0.00 C ATOM 871 CG LEU A 936 -1.769 3.468 -11.860 1.00 0.00 C ATOM 872 CD1 LEU A 936 -1.985 1.963 -11.818 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.480 4.078 -13.059 1.00 0.00 C ATOM 0 H LEU A 936 0.182 4.677 -10.555 1.00 0.00 H new ATOM 0 HA LEU A 936 -1.959 6.173 -11.110 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.980 3.466 -9.732 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.342 4.162 -10.588 1.00 0.00 H new ATOM 0 HG LEU A 936 -0.701 3.658 -11.962 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -1.635 1.519 -12.750 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.429 1.539 -10.982 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -3.047 1.751 -11.692 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -2.123 3.604 -13.973 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -3.554 3.920 -12.964 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -2.273 5.147 -13.099 1.00 0.00 H new ATOM 885 N LEU A 937 -2.011 5.528 -7.865 1.00 0.00 N ATOM 886 CA LEU A 937 -2.567 5.974 -6.592 1.00 0.00 C ATOM 887 C LEU A 937 -2.168 7.417 -6.299 1.00 0.00 C ATOM 888 O LEU A 937 -0.987 7.762 -6.329 1.00 0.00 O ATOM 889 CB LEU A 937 -2.094 5.061 -5.459 1.00 0.00 C ATOM 890 CG LEU A 937 -2.255 3.559 -5.696 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.453 2.769 -4.674 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.725 3.166 -5.644 1.00 0.00 C ATOM 0 H LEU A 937 -1.331 4.772 -7.786 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.654 5.924 -6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -1.041 5.268 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -2.640 5.326 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.872 3.323 -6.689 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.580 1.702 -4.858 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.398 3.029 -4.759 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -1.806 3.008 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.821 2.094 -5.815 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.134 3.416 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.274 3.707 -6.415 1.00 0.00 H new ATOM 904 N GLU A 938 -3.160 8.254 -6.013 1.00 0.00 N ATOM 905 CA GLU A 938 -2.911 9.658 -5.712 1.00 0.00 C ATOM 906 C GLU A 938 -2.389 9.826 -4.288 1.00 0.00 C ATOM 907 O GLU A 938 -2.653 8.997 -3.417 1.00 0.00 O ATOM 908 CB GLU A 938 -4.190 10.477 -5.897 1.00 0.00 C ATOM 909 CG GLU A 938 -5.225 10.244 -4.810 1.00 0.00 C ATOM 910 CD GLU A 938 -6.621 10.659 -5.234 1.00 0.00 C ATOM 911 OE1 GLU A 938 -7.179 10.015 -6.146 1.00 0.00 O ATOM 912 OE2 GLU A 938 -7.154 11.628 -4.654 1.00 0.00 O ATOM 0 H GLU A 938 -4.143 7.984 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 938 -2.151 10.021 -6.404 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -3.933 11.536 -5.921 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.630 10.234 -6.864 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.231 9.188 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -4.940 10.801 -3.917 1.00 0.00 H new ATOM 919 N ARG A 939 -1.645 10.904 -4.059 1.00 0.00 N ATOM 920 CA ARG A 939 -1.084 11.179 -2.742 1.00 0.00 C ATOM 921 C ARG A 939 -2.056 10.768 -1.640 1.00 0.00 C ATOM 922 O ARG A 939 -1.659 10.166 -0.643 1.00 0.00 O ATOM 923 CB ARG A 939 -0.746 12.665 -2.610 1.00 0.00 C ATOM 924 CG ARG A 939 0.422 12.943 -1.678 1.00 0.00 C ATOM 925 CD ARG A 939 0.502 14.416 -1.309 1.00 0.00 C ATOM 926 NE ARG A 939 1.237 15.191 -2.305 1.00 0.00 N ATOM 927 CZ ARG A 939 0.684 15.681 -3.409 1.00 0.00 C ATOM 928 NH1 ARG A 939 -0.603 15.477 -3.657 1.00 0.00 N ATOM 929 NH2 ARG A 939 1.418 16.376 -4.268 1.00 0.00 N ATOM 0 H ARG A 939 -1.417 11.601 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.171 10.594 -2.634 1.00 0.00 H new ATOM 0 HB2 ARG A 939 -0.516 13.066 -3.597 1.00 0.00 H new ATOM 0 HB3 ARG A 939 -1.625 13.198 -2.247 1.00 0.00 H new ATOM 0 HG2 ARG A 939 0.317 12.345 -0.773 1.00 0.00 H new ATOM 0 HG3 ARG A 939 1.352 12.636 -2.157 1.00 0.00 H new ATOM 0 HD2 ARG A 939 -0.506 14.819 -1.207 1.00 0.00 H new ATOM 0 HD3 ARG A 939 0.987 14.521 -0.338 1.00 0.00 H new ATOM 0 HE ARG A 939 2.229 15.366 -2.144 1.00 0.00 H new ATOM 0 HH11 ARG A 939 -1.171 14.943 -2.999 1.00 0.00 H new ATOM 0 HH12 ARG A 939 -1.025 15.854 -4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 939 2.408 16.535 -4.081 1.00 0.00 H new ATOM 0 HH22 ARG A 939 0.992 16.752 -5.115 1.00 0.00 H new ATOM 943 N GLU A 940 -3.330 11.097 -1.828 1.00 0.00 N ATOM 944 CA GLU A 940 -4.357 10.762 -0.849 1.00 0.00 C ATOM 945 C GLU A 940 -4.386 9.260 -0.583 1.00 0.00 C ATOM 946 O GLU A 940 -4.382 8.823 0.568 1.00 0.00 O ATOM 947 CB GLU A 940 -5.730 11.231 -1.336 1.00 0.00 C ATOM 948 CG GLU A 940 -6.821 11.116 -0.285 1.00 0.00 C ATOM 949 CD GLU A 940 -8.165 11.611 -0.782 1.00 0.00 C ATOM 950 OE1 GLU A 940 -8.655 11.079 -1.800 1.00 0.00 O ATOM 951 OE2 GLU A 940 -8.727 12.531 -0.152 1.00 0.00 O ATOM 0 H GLU A 940 -3.675 11.595 -2.649 1.00 0.00 H new ATOM 0 HA GLU A 940 -4.115 11.274 0.082 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -5.656 12.270 -1.659 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -6.016 10.645 -2.210 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -6.913 10.075 0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -6.532 11.687 0.597 1.00 0.00 H new ATOM 958 N GLU A 941 -4.415 8.475 -1.655 1.00 0.00 N ATOM 959 CA GLU A 941 -4.447 7.022 -1.537 1.00 0.00 C ATOM 960 C GLU A 941 -3.194 6.506 -0.835 1.00 0.00 C ATOM 961 O GLU A 941 -3.267 5.636 0.032 1.00 0.00 O ATOM 962 CB GLU A 941 -4.571 6.378 -2.920 1.00 0.00 C ATOM 963 CG GLU A 941 -6.009 6.164 -3.364 1.00 0.00 C ATOM 964 CD GLU A 941 -6.586 4.855 -2.861 1.00 0.00 C ATOM 965 OE1 GLU A 941 -5.816 3.882 -2.719 1.00 0.00 O ATOM 966 OE2 GLU A 941 -7.808 4.804 -2.609 1.00 0.00 O ATOM 0 H GLU A 941 -4.417 8.821 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.317 6.751 -0.938 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -4.063 7.007 -3.651 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -4.055 5.418 -2.912 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -6.623 6.990 -3.004 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -6.056 6.183 -4.453 1.00 0.00 H new ATOM 973 N LYS A 942 -2.043 7.049 -1.218 1.00 0.00 N ATOM 974 CA LYS A 942 -0.772 6.646 -0.626 1.00 0.00 C ATOM 975 C LYS A 942 -0.747 6.950 0.868 1.00 0.00 C ATOM 976 O LYS A 942 -0.270 6.144 1.666 1.00 0.00 O ATOM 977 CB LYS A 942 0.388 7.361 -1.323 1.00 0.00 C ATOM 978 CG LYS A 942 0.424 7.141 -2.825 1.00 0.00 C ATOM 979 CD LYS A 942 1.659 7.766 -3.451 1.00 0.00 C ATOM 980 CE LYS A 942 1.894 7.247 -4.861 1.00 0.00 C ATOM 981 NZ LYS A 942 2.685 5.985 -4.862 1.00 0.00 N ATOM 0 H LYS A 942 -1.964 7.769 -1.936 1.00 0.00 H new ATOM 0 HA LYS A 942 -0.661 5.570 -0.761 1.00 0.00 H new ATOM 0 HB2 LYS A 942 0.318 8.430 -1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 942 1.328 7.017 -0.891 1.00 0.00 H new ATOM 0 HG2 LYS A 942 0.409 6.072 -3.037 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.471 7.569 -3.278 1.00 0.00 H new ATOM 0 HD2 LYS A 942 1.547 8.850 -3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 942 2.530 7.550 -2.833 1.00 0.00 H new ATOM 0 HE2 LYS A 942 0.935 7.075 -5.349 1.00 0.00 H new ATOM 0 HE3 LYS A 942 2.418 8.004 -5.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 2.853 5.681 -5.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 3.597 6.146 -4.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 2.158 5.245 -4.356 1.00 0.00 H new ATOM 995 N GLU A 943 -1.264 8.118 1.239 1.00 0.00 N ATOM 996 CA GLU A 943 -1.301 8.526 2.638 1.00 0.00 C ATOM 997 C GLU A 943 -2.222 7.617 3.447 1.00 0.00 C ATOM 998 O GLU A 943 -1.812 7.034 4.451 1.00 0.00 O ATOM 999 CB GLU A 943 -1.768 9.979 2.756 1.00 0.00 C ATOM 1000 CG GLU A 943 -1.722 10.519 4.175 1.00 0.00 C ATOM 1001 CD GLU A 943 -2.352 11.893 4.297 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -1.915 12.812 3.573 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -3.281 12.050 5.117 1.00 0.00 O ATOM 0 H GLU A 943 -1.662 8.797 0.590 1.00 0.00 H new ATOM 0 HA GLU A 943 -0.292 8.442 3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -1.145 10.605 2.117 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.788 10.056 2.380 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -2.238 9.827 4.840 1.00 0.00 H new ATOM 0 HG3 GLU A 943 -0.685 10.568 4.508 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.468 7.500 3.002 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.449 6.662 3.681 1.00 0.00 C ATOM 1012 C LYS A 944 -3.984 5.210 3.728 1.00 0.00 C ATOM 1013 O LYS A 944 -3.878 4.615 4.801 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.804 6.753 2.976 1.00 0.00 C ATOM 1015 CG LYS A 944 -6.979 6.390 3.868 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.282 7.493 4.868 1.00 0.00 C ATOM 1017 CE LYS A 944 -8.678 7.346 5.454 1.00 0.00 C ATOM 1018 NZ LYS A 944 -8.953 8.373 6.496 1.00 0.00 N ATOM 0 H LYS A 944 -3.823 7.976 2.173 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.554 7.025 4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -5.942 7.767 2.602 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -5.798 6.092 2.109 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -7.859 6.203 3.253 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -6.760 5.465 4.401 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -6.545 7.470 5.671 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -7.192 8.463 4.380 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -9.417 7.430 4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -8.787 6.351 5.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -9.914 8.239 6.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -8.264 8.277 7.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -8.874 9.322 6.078 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.707 4.645 2.558 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.251 3.262 2.465 1.00 0.00 C ATOM 1034 C LEU A 945 -2.152 2.981 3.484 1.00 0.00 C ATOM 1035 O LEU A 945 -2.249 2.044 4.276 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.742 2.965 1.054 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.814 2.734 -0.012 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -3.224 2.884 -1.405 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.445 1.359 0.157 1.00 0.00 C ATOM 0 H LEU A 945 -3.790 5.123 1.661 1.00 0.00 H new ATOM 0 HA LEU A 945 -4.098 2.611 2.683 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -2.113 3.796 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -2.105 2.081 1.098 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.592 3.487 0.113 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -4.002 2.716 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -2.820 3.890 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.426 2.154 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.206 1.211 -0.610 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.677 0.592 0.059 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.905 1.288 1.143 1.00 0.00 H new ATOM 1051 N PHE A 946 -1.106 3.801 3.460 1.00 0.00 N ATOM 1052 CA PHE A 946 0.012 3.642 4.382 1.00 0.00 C ATOM 1053 C PHE A 946 -0.481 3.541 5.822 1.00 0.00 C ATOM 1054 O PHE A 946 -0.225 2.553 6.510 1.00 0.00 O ATOM 1055 CB PHE A 946 0.985 4.815 4.245 1.00 0.00 C ATOM 1056 CG PHE A 946 1.939 4.940 5.398 1.00 0.00 C ATOM 1057 CD1 PHE A 946 2.917 3.983 5.613 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.857 6.015 6.268 1.00 0.00 C ATOM 1059 CE1 PHE A 946 3.797 4.095 6.673 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.734 6.133 7.330 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.705 5.172 7.533 1.00 0.00 C ATOM 0 H PHE A 946 -1.010 4.583 2.812 1.00 0.00 H new ATOM 0 HA PHE A 946 0.531 2.718 4.128 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.555 4.698 3.323 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.416 5.740 4.153 1.00 0.00 H new ATOM 0 HD1 PHE A 946 2.993 3.139 4.944 1.00 0.00 H new ATOM 0 HD2 PHE A 946 1.099 6.769 6.115 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.555 3.342 6.829 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.660 6.976 8.001 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.391 5.262 8.362 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.190 4.571 6.272 1.00 0.00 N ATOM 1072 CA ASN A 947 -1.719 4.600 7.631 1.00 0.00 C ATOM 1073 C ASN A 947 -2.422 3.289 7.969 1.00 0.00 C ATOM 1074 O ASN A 947 -2.189 2.703 9.026 1.00 0.00 O ATOM 1075 CB ASN A 947 -2.690 5.770 7.798 1.00 0.00 C ATOM 1076 CG ASN A 947 -2.031 7.111 7.537 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -0.804 7.219 7.520 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -2.844 8.141 7.333 1.00 0.00 N ATOM 0 H ASN A 947 -1.412 5.397 5.716 1.00 0.00 H new ATOM 0 HA ASN A 947 -0.882 4.731 8.317 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.530 5.642 7.115 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.097 5.759 8.809 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -2.458 9.068 7.153 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -3.855 8.005 7.356 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.284 2.835 7.064 1.00 0.00 N ATOM 1086 CA GLU A 948 -4.021 1.593 7.267 1.00 0.00 C ATOM 1087 C GLU A 948 -3.073 0.448 7.611 1.00 0.00 C ATOM 1088 O GLU A 948 -3.339 -0.342 8.518 1.00 0.00 O ATOM 1089 CB GLU A 948 -4.828 1.243 6.015 1.00 0.00 C ATOM 1090 CG GLU A 948 -6.081 2.085 5.843 1.00 0.00 C ATOM 1091 CD GLU A 948 -7.060 1.914 6.988 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -7.461 0.762 7.257 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -7.426 2.931 7.613 1.00 0.00 O ATOM 0 H GLU A 948 -3.489 3.308 6.184 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.705 1.739 8.103 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.194 1.368 5.138 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.110 0.191 6.057 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -5.800 3.135 5.764 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.571 1.814 4.908 1.00 0.00 H new ATOM 1100 N HIS A 949 -1.965 0.364 6.881 1.00 0.00 N ATOM 1101 CA HIS A 949 -0.977 -0.684 7.108 1.00 0.00 C ATOM 1102 C HIS A 949 -0.405 -0.594 8.520 1.00 0.00 C ATOM 1103 O HIS A 949 -0.396 -1.578 9.260 1.00 0.00 O ATOM 1104 CB HIS A 949 0.151 -0.583 6.081 1.00 0.00 C ATOM 1105 CG HIS A 949 1.287 -1.522 6.344 1.00 0.00 C ATOM 1106 ND1 HIS A 949 1.160 -2.893 6.287 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.579 -1.279 6.667 1.00 0.00 C ATOM 1108 CE1 HIS A 949 2.323 -3.454 6.564 1.00 0.00 C ATOM 1109 NE2 HIS A 949 3.202 -2.496 6.799 1.00 0.00 N ATOM 0 H HIS A 949 -1.729 1.009 6.127 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.474 -1.648 6.996 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.253 -0.784 5.089 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.530 0.439 6.070 1.00 0.00 H new ATOM 0 HD2 HIS A 949 3.035 -0.309 6.797 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.522 -4.515 6.593 1.00 0.00 H new ATOM 0 HE2 HIS A 949 4.183 -2.637 7.039 1.00 0.00 H new ATOM 1117 N ILE A 950 0.073 0.591 8.885 1.00 0.00 N ATOM 1118 CA ILE A 950 0.647 0.808 10.207 1.00 0.00 C ATOM 1119 C ILE A 950 -0.328 0.393 11.304 1.00 0.00 C ATOM 1120 O ILE A 950 -0.074 -0.554 12.046 1.00 0.00 O ATOM 1121 CB ILE A 950 1.039 2.283 10.415 1.00 0.00 C ATOM 1122 CG1 ILE A 950 1.957 2.754 9.285 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.715 2.466 11.765 1.00 0.00 C ATOM 1124 CD1 ILE A 950 3.256 1.983 9.200 1.00 0.00 C ATOM 0 H ILE A 950 0.074 1.415 8.284 1.00 0.00 H new ATOM 0 HA ILE A 950 1.543 0.190 10.268 1.00 0.00 H new ATOM 0 HB ILE A 950 0.134 2.890 10.399 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.428 2.664 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.180 3.812 9.426 1.00 0.00 H new ATOM 0 HG21 ILE A 950 1.986 3.513 11.897 1.00 0.00 H new ATOM 0 HG22 ILE A 950 1.031 2.165 12.558 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.614 1.850 11.808 1.00 0.00 H new ATOM 0 HD11 ILE A 950 3.856 2.371 8.377 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.807 2.094 10.134 1.00 0.00 H new ATOM 0 HD13 ILE A 950 3.042 0.928 9.028 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.444 1.109 11.398 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.457 0.814 12.404 1.00 0.00 C ATOM 1138 C GLU A 951 -2.764 -0.680 12.446 1.00 0.00 C ATOM 1139 O GLU A 951 -2.885 -1.270 13.519 1.00 0.00 O ATOM 1140 CB GLU A 951 -3.738 1.601 12.117 1.00 0.00 C ATOM 1141 CG GLU A 951 -4.494 1.107 10.896 1.00 0.00 C ATOM 1142 CD GLU A 951 -5.779 1.876 10.655 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -5.704 3.104 10.441 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -6.859 1.249 10.680 1.00 0.00 O ATOM 0 H GLU A 951 -1.669 1.897 10.790 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.065 1.114 13.376 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -4.392 1.544 12.987 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -3.485 2.652 11.977 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -3.854 1.192 10.018 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -4.726 0.049 11.020 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.888 -1.285 11.269 1.00 0.00 N ATOM 1152 CA ALA A 952 -3.179 -2.710 11.170 1.00 0.00 C ATOM 1153 C ALA A 952 -2.156 -3.535 11.943 1.00 0.00 C ATOM 1154 O ALA A 952 -2.513 -4.458 12.676 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.214 -3.141 9.711 1.00 0.00 C ATOM 0 H ALA A 952 -2.791 -0.811 10.371 1.00 0.00 H new ATOM 0 HA ALA A 952 -4.159 -2.887 11.614 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.432 -4.207 9.652 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -3.988 -2.582 9.185 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.247 -2.943 9.250 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.882 -3.197 11.774 1.00 0.00 N ATOM 1162 CA LEU A 953 0.194 -3.907 12.456 1.00 0.00 C ATOM 1163 C LEU A 953 0.026 -3.827 13.970 1.00 0.00 C ATOM 1164 O LEU A 953 0.004 -4.848 14.659 1.00 0.00 O ATOM 1165 CB LEU A 953 1.551 -3.328 12.052 1.00 0.00 C ATOM 1166 CG LEU A 953 1.936 -3.485 10.580 1.00 0.00 C ATOM 1167 CD1 LEU A 953 3.064 -2.531 10.219 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.334 -4.923 10.284 1.00 0.00 C ATOM 0 H LEU A 953 -0.569 -2.436 11.171 1.00 0.00 H new ATOM 0 HA LEU A 953 0.149 -4.955 12.158 1.00 0.00 H new ATOM 0 HB2 LEU A 953 1.558 -2.266 12.298 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.321 -3.801 12.661 1.00 0.00 H new ATOM 0 HG LEU A 953 1.069 -3.237 9.968 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.325 -2.657 9.168 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.742 -1.504 10.393 1.00 0.00 H new ATOM 0 HD13 LEU A 953 3.935 -2.747 10.837 1.00 0.00 H new ATOM 0 HD21 LEU A 953 2.605 -5.016 9.232 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.187 -5.200 10.904 1.00 0.00 H new ATOM 0 HD23 LEU A 953 1.496 -5.585 10.503 1.00 0.00 H new ATOM 1180 N THR A 954 -0.095 -2.607 14.484 1.00 0.00 N ATOM 1181 CA THR A 954 -0.263 -2.393 15.915 1.00 0.00 C ATOM 1182 C THR A 954 -1.579 -2.983 16.409 1.00 0.00 C ATOM 1183 O THR A 954 -1.591 -3.950 17.171 1.00 0.00 O ATOM 1184 CB THR A 954 -0.221 -0.894 16.269 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.141 -0.171 15.443 1.00 0.00 O ATOM 1186 CG2 THR A 954 1.181 -0.334 16.085 1.00 0.00 C ATOM 0 H THR A 954 -0.080 -1.751 13.929 1.00 0.00 H new ATOM 0 HA THR A 954 0.567 -2.899 16.409 1.00 0.00 H new ATOM 0 HB THR A 954 -0.506 -0.781 17.315 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.678 -0.803 14.921 1.00 0.00 H new ATOM 0 HG21 THR A 954 1.186 0.726 16.341 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.874 -0.868 16.735 1.00 0.00 H new ATOM 0 HG23 THR A 954 1.489 -0.458 15.047 1.00 0.00 H new