USER MOD reduce.3.24.130724 H: found=0, std=0, add=486, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 485 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 908 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 949 HIS : no HD1:sc= -5.77! C(o=-5.8!,f=-11!) USER MOD Single : A 901 GLN : amide:sc= -0.221 X(o=-0.22,f=-0.24) USER MOD Single : A 902 ASN : amide:sc= -0.16 K(o=-0.16,f=-1.7!) USER MOD Single : A 904 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.143) USER MOD Single : A 910 MET CE :methyl -123:sc= -0.303 (180deg=-3!) USER MOD Single : A 913 SER OG : rot 180:sc= 0.11 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= 0.0122 USER MOD Single : A 921 THR OG1 : rot -171:sc= 0.939 USER MOD Single : A 924 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 927 LYS NZ :NH3+ -158:sc= -0.11 (180deg=-0.744) USER MOD Single : A 929 HIS : no HD1:sc= -0.03 X(o=-0.03,f=0) USER MOD Single : A 933 SER OG : rot -50:sc= 1.18 USER MOD Single : A 935 SER OG : rot 99:sc= 0.0259 USER MOD Single : A 942 LYS NZ :NH3+ 178:sc= 1.49 (180deg=1.48) USER MOD Single : A 944 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 947 ASN : amide:sc=-0.00598 K(o=-0.006,f=-1.5) USER MOD Single : A 954 THR OG1 : rot 170:sc= -0.0545 USER MOD ----------------------------------------------------------------- ATOM 212 N ARG A 896 -5.594 0.017 -12.216 1.00 0.00 N ATOM 213 CA ARG A 896 -5.458 0.535 -10.860 1.00 0.00 C ATOM 214 C ARG A 896 -5.488 -0.599 -9.839 1.00 0.00 C ATOM 215 O ARG A 896 -4.705 -0.613 -8.891 1.00 0.00 O ATOM 216 CB ARG A 896 -6.575 1.536 -10.559 1.00 0.00 C ATOM 217 CG ARG A 896 -6.559 2.056 -9.131 1.00 0.00 C ATOM 218 CD ARG A 896 -7.828 2.827 -8.805 1.00 0.00 C ATOM 219 NE ARG A 896 -7.751 4.218 -9.244 1.00 0.00 N ATOM 220 CZ ARG A 896 -6.968 5.127 -8.674 1.00 0.00 C ATOM 221 NH1 ARG A 896 -6.198 4.793 -7.648 1.00 0.00 N ATOM 222 NH2 ARG A 896 -6.953 6.372 -9.131 1.00 0.00 N ATOM 0 HA ARG A 896 -4.496 1.042 -10.787 1.00 0.00 H new ATOM 0 HB2 ARG A 896 -6.490 2.379 -11.245 1.00 0.00 H new ATOM 0 HB3 ARG A 896 -7.537 1.063 -10.753 1.00 0.00 H new ATOM 0 HG2 ARG A 896 -6.452 1.220 -8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 896 -5.693 2.702 -8.987 1.00 0.00 H new ATOM 0 HD2 ARG A 896 -8.679 2.343 -9.283 1.00 0.00 H new ATOM 0 HD3 ARG A 896 -8.005 2.795 -7.730 1.00 0.00 H new ATOM 0 HE ARG A 896 -8.331 4.507 -10.032 1.00 0.00 H new ATOM 0 HH11 ARG A 896 -6.206 3.836 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 896 -5.598 5.493 -7.212 1.00 0.00 H new ATOM 0 HH21 ARG A 896 -7.543 6.632 -9.921 1.00 0.00 H new ATOM 0 HH22 ARG A 896 -6.351 7.069 -8.692 1.00 0.00 H new ATOM 236 N GLU A 897 -6.399 -1.547 -10.041 1.00 0.00 N ATOM 237 CA GLU A 897 -6.531 -2.683 -9.137 1.00 0.00 C ATOM 238 C GLU A 897 -5.169 -3.304 -8.841 1.00 0.00 C ATOM 239 O GLU A 897 -4.727 -3.334 -7.693 1.00 0.00 O ATOM 240 CB GLU A 897 -7.464 -3.736 -9.740 1.00 0.00 C ATOM 241 CG GLU A 897 -8.938 -3.443 -9.516 1.00 0.00 C ATOM 242 CD GLU A 897 -9.392 -3.779 -8.109 1.00 0.00 C ATOM 243 OE1 GLU A 897 -8.535 -3.810 -7.201 1.00 0.00 O ATOM 244 OE2 GLU A 897 -10.604 -4.010 -7.916 1.00 0.00 O ATOM 0 H GLU A 897 -7.055 -1.550 -10.822 1.00 0.00 H new ATOM 0 HA GLU A 897 -6.957 -2.323 -8.201 1.00 0.00 H new ATOM 0 HB2 GLU A 897 -7.275 -3.806 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 897 -7.226 -4.709 -9.310 1.00 0.00 H new ATOM 0 HG2 GLU A 897 -9.129 -2.388 -9.713 1.00 0.00 H new ATOM 0 HG3 GLU A 897 -9.531 -4.013 -10.231 1.00 0.00 H new ATOM 251 N GLU A 898 -4.510 -3.798 -9.884 1.00 0.00 N ATOM 252 CA GLU A 898 -3.200 -4.419 -9.735 1.00 0.00 C ATOM 253 C GLU A 898 -2.270 -3.536 -8.908 1.00 0.00 C ATOM 254 O GLU A 898 -1.529 -4.024 -8.055 1.00 0.00 O ATOM 255 CB GLU A 898 -2.579 -4.687 -11.108 1.00 0.00 C ATOM 256 CG GLU A 898 -2.459 -3.445 -11.975 1.00 0.00 C ATOM 257 CD GLU A 898 -1.743 -3.715 -13.284 1.00 0.00 C ATOM 258 OE1 GLU A 898 -2.288 -4.472 -14.114 1.00 0.00 O ATOM 259 OE2 GLU A 898 -0.637 -3.168 -13.479 1.00 0.00 O ATOM 0 H GLU A 898 -4.862 -3.780 -10.841 1.00 0.00 H new ATOM 0 HA GLU A 898 -3.333 -5.366 -9.213 1.00 0.00 H new ATOM 0 HB2 GLU A 898 -1.589 -5.121 -10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 898 -3.182 -5.428 -11.632 1.00 0.00 H new ATOM 0 HG2 GLU A 898 -3.455 -3.054 -12.184 1.00 0.00 H new ATOM 0 HG3 GLU A 898 -1.923 -2.672 -11.424 1.00 0.00 H new ATOM 266 N ALA A 899 -2.315 -2.234 -9.167 1.00 0.00 N ATOM 267 CA ALA A 899 -1.478 -1.282 -8.447 1.00 0.00 C ATOM 268 C ALA A 899 -1.822 -1.264 -6.961 1.00 0.00 C ATOM 269 O ALA A 899 -0.933 -1.248 -6.109 1.00 0.00 O ATOM 270 CB ALA A 899 -1.629 0.110 -9.042 1.00 0.00 C ATOM 0 H ALA A 899 -2.922 -1.814 -9.870 1.00 0.00 H new ATOM 0 HA ALA A 899 -0.440 -1.598 -8.550 1.00 0.00 H new ATOM 0 HB1 ALA A 899 -0.998 0.810 -8.494 1.00 0.00 H new ATOM 0 HB2 ALA A 899 -1.327 0.093 -10.089 1.00 0.00 H new ATOM 0 HB3 ALA A 899 -2.670 0.426 -8.969 1.00 0.00 H new ATOM 276 N ILE A 900 -3.115 -1.267 -6.658 1.00 0.00 N ATOM 277 CA ILE A 900 -3.575 -1.252 -5.275 1.00 0.00 C ATOM 278 C ILE A 900 -2.983 -2.414 -4.486 1.00 0.00 C ATOM 279 O ILE A 900 -2.295 -2.211 -3.486 1.00 0.00 O ATOM 280 CB ILE A 900 -5.112 -1.319 -5.191 1.00 0.00 C ATOM 281 CG1 ILE A 900 -5.736 -0.118 -5.904 1.00 0.00 C ATOM 282 CG2 ILE A 900 -5.561 -1.373 -3.739 1.00 0.00 C ATOM 283 CD1 ILE A 900 -7.217 -0.276 -6.170 1.00 0.00 C ATOM 0 H ILE A 900 -3.863 -1.280 -7.351 1.00 0.00 H new ATOM 0 HA ILE A 900 -3.237 -0.311 -4.841 1.00 0.00 H new ATOM 0 HB ILE A 900 -5.449 -2.228 -5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 900 -5.577 0.776 -5.300 1.00 0.00 H new ATOM 0 HG13 ILE A 900 -5.220 0.041 -6.851 1.00 0.00 H new ATOM 0 HG21 ILE A 900 -6.649 -1.420 -3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 900 -5.140 -2.258 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 900 -5.216 -0.480 -3.218 1.00 0.00 H new ATOM 0 HD11 ILE A 900 -7.592 0.613 -6.678 1.00 0.00 H new ATOM 0 HD12 ILE A 900 -7.382 -1.150 -6.799 1.00 0.00 H new ATOM 0 HD13 ILE A 900 -7.745 -0.404 -5.225 1.00 0.00 H new ATOM 295 N GLN A 901 -3.254 -3.632 -4.944 1.00 0.00 N ATOM 296 CA GLN A 901 -2.747 -4.828 -4.281 1.00 0.00 C ATOM 297 C GLN A 901 -1.225 -4.789 -4.178 1.00 0.00 C ATOM 298 O GLN A 901 -0.665 -4.889 -3.088 1.00 0.00 O ATOM 299 CB GLN A 901 -3.187 -6.082 -5.037 1.00 0.00 C ATOM 300 CG GLN A 901 -4.692 -6.297 -5.036 1.00 0.00 C ATOM 301 CD GLN A 901 -5.264 -6.410 -3.637 1.00 0.00 C ATOM 302 OE1 GLN A 901 -4.764 -7.173 -2.809 1.00 0.00 O ATOM 303 NE2 GLN A 901 -6.318 -5.650 -3.364 1.00 0.00 N ATOM 0 H GLN A 901 -3.822 -3.817 -5.771 1.00 0.00 H new ATOM 0 HA GLN A 901 -3.161 -4.857 -3.273 1.00 0.00 H new ATOM 0 HB2 GLN A 901 -2.839 -6.016 -6.068 1.00 0.00 H new ATOM 0 HB3 GLN A 901 -2.704 -6.952 -4.593 1.00 0.00 H new ATOM 0 HG2 GLN A 901 -5.174 -5.469 -5.556 1.00 0.00 H new ATOM 0 HG3 GLN A 901 -4.926 -7.203 -5.595 1.00 0.00 H new ATOM 0 HE21 GLN A 901 -6.700 -5.032 -4.080 1.00 0.00 H new ATOM 0 HE22 GLN A 901 -6.745 -5.684 -2.439 1.00 0.00 H new ATOM 312 N ASN A 902 -0.564 -4.644 -5.321 1.00 0.00 N ATOM 313 CA ASN A 902 0.893 -4.593 -5.360 1.00 0.00 C ATOM 314 C ASN A 902 1.428 -3.551 -4.382 1.00 0.00 C ATOM 315 O ASN A 902 2.416 -3.785 -3.687 1.00 0.00 O ATOM 316 CB ASN A 902 1.376 -4.274 -6.777 1.00 0.00 C ATOM 317 CG ASN A 902 1.583 -5.523 -7.612 1.00 0.00 C ATOM 318 OD1 ASN A 902 1.882 -6.593 -7.084 1.00 0.00 O ATOM 319 ND2 ASN A 902 1.423 -5.390 -8.923 1.00 0.00 N ATOM 0 H ASN A 902 -1.014 -4.560 -6.233 1.00 0.00 H new ATOM 0 HA ASN A 902 1.273 -5.571 -5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 902 0.649 -3.628 -7.269 1.00 0.00 H new ATOM 0 HB3 ASN A 902 2.312 -3.718 -6.722 1.00 0.00 H new ATOM 0 HD21 ASN A 902 1.548 -6.195 -9.536 1.00 0.00 H new ATOM 0 HD22 ASN A 902 1.175 -4.483 -9.317 1.00 0.00 H new ATOM 326 N PHE A 903 0.766 -2.399 -4.334 1.00 0.00 N ATOM 327 CA PHE A 903 1.174 -1.320 -3.441 1.00 0.00 C ATOM 328 C PHE A 903 1.217 -1.799 -1.993 1.00 0.00 C ATOM 329 O PHE A 903 2.244 -1.694 -1.322 1.00 0.00 O ATOM 330 CB PHE A 903 0.216 -0.134 -3.570 1.00 0.00 C ATOM 331 CG PHE A 903 0.736 1.127 -2.940 1.00 0.00 C ATOM 332 CD1 PHE A 903 1.817 1.797 -3.489 1.00 0.00 C ATOM 333 CD2 PHE A 903 0.143 1.642 -1.798 1.00 0.00 C ATOM 334 CE1 PHE A 903 2.297 2.958 -2.913 1.00 0.00 C ATOM 335 CE2 PHE A 903 0.619 2.802 -1.217 1.00 0.00 C ATOM 336 CZ PHE A 903 1.698 3.460 -1.774 1.00 0.00 C ATOM 0 H PHE A 903 -0.054 -2.189 -4.902 1.00 0.00 H new ATOM 0 HA PHE A 903 2.176 -1.002 -3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 903 0.019 0.051 -4.626 1.00 0.00 H new ATOM 0 HB3 PHE A 903 -0.737 -0.395 -3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 903 2.291 1.407 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 903 -0.700 1.131 -1.357 1.00 0.00 H new ATOM 0 HE1 PHE A 903 3.139 3.472 -3.353 1.00 0.00 H new ATOM 0 HE2 PHE A 903 0.147 3.194 -0.328 1.00 0.00 H new ATOM 0 HZ PHE A 903 2.073 4.365 -1.320 1.00 0.00 H new ATOM 346 N LYS A 904 0.094 -2.325 -1.517 1.00 0.00 N ATOM 347 CA LYS A 904 0.001 -2.821 -0.149 1.00 0.00 C ATOM 348 C LYS A 904 1.171 -3.743 0.176 1.00 0.00 C ATOM 349 O LYS A 904 1.897 -3.522 1.145 1.00 0.00 O ATOM 350 CB LYS A 904 -1.321 -3.565 0.057 1.00 0.00 C ATOM 351 CG LYS A 904 -2.464 -2.665 0.494 1.00 0.00 C ATOM 352 CD LYS A 904 -3.220 -2.106 -0.699 1.00 0.00 C ATOM 353 CE LYS A 904 -4.675 -1.824 -0.355 1.00 0.00 C ATOM 354 NZ LYS A 904 -5.536 -3.022 -0.563 1.00 0.00 N ATOM 0 H LYS A 904 -0.765 -2.419 -2.059 1.00 0.00 H new ATOM 0 HA LYS A 904 0.038 -1.965 0.525 1.00 0.00 H new ATOM 0 HB2 LYS A 904 -1.597 -4.063 -0.873 1.00 0.00 H new ATOM 0 HB3 LYS A 904 -1.177 -4.344 0.805 1.00 0.00 H new ATOM 0 HG2 LYS A 904 -3.149 -3.227 1.129 1.00 0.00 H new ATOM 0 HG3 LYS A 904 -2.073 -1.844 1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 904 -2.740 -1.187 -1.037 1.00 0.00 H new ATOM 0 HD3 LYS A 904 -3.171 -2.814 -1.526 1.00 0.00 H new ATOM 0 HE2 LYS A 904 -4.747 -1.501 0.684 1.00 0.00 H new ATOM 0 HE3 LYS A 904 -5.041 -1.002 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 904 -6.291 -2.793 -1.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 904 -4.960 -3.803 -0.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 904 -5.959 -3.307 0.343 1.00 0.00 H new ATOM 368 N ALA A 905 1.349 -4.776 -0.640 1.00 0.00 N ATOM 369 CA ALA A 905 2.434 -5.729 -0.441 1.00 0.00 C ATOM 370 C ALA A 905 3.775 -5.016 -0.313 1.00 0.00 C ATOM 371 O ALA A 905 4.608 -5.381 0.518 1.00 0.00 O ATOM 372 CB ALA A 905 2.474 -6.730 -1.586 1.00 0.00 C ATOM 0 H ALA A 905 0.756 -4.975 -1.446 1.00 0.00 H new ATOM 0 HA ALA A 905 2.247 -6.265 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 905 3.289 -7.435 -1.424 1.00 0.00 H new ATOM 0 HB2 ALA A 905 1.529 -7.271 -1.629 1.00 0.00 H new ATOM 0 HB3 ALA A 905 2.633 -6.201 -2.526 1.00 0.00 H new ATOM 378 N LEU A 906 3.979 -3.997 -1.141 1.00 0.00 N ATOM 379 CA LEU A 906 5.221 -3.231 -1.121 1.00 0.00 C ATOM 380 C LEU A 906 5.396 -2.513 0.213 1.00 0.00 C ATOM 381 O LEU A 906 6.508 -2.406 0.732 1.00 0.00 O ATOM 382 CB LEU A 906 5.236 -2.217 -2.265 1.00 0.00 C ATOM 383 CG LEU A 906 6.321 -1.141 -2.194 1.00 0.00 C ATOM 384 CD1 LEU A 906 7.676 -1.724 -2.564 1.00 0.00 C ATOM 385 CD2 LEU A 906 5.974 0.027 -3.105 1.00 0.00 C ATOM 0 H LEU A 906 3.301 -3.682 -1.835 1.00 0.00 H new ATOM 0 HA LEU A 906 6.050 -3.926 -1.250 1.00 0.00 H new ATOM 0 HB2 LEU A 906 5.351 -2.760 -3.203 1.00 0.00 H new ATOM 0 HB3 LEU A 906 4.265 -1.724 -2.299 1.00 0.00 H new ATOM 0 HG LEU A 906 6.374 -0.773 -1.169 1.00 0.00 H new ATOM 0 HD11 LEU A 906 8.435 -0.944 -2.508 1.00 0.00 H new ATOM 0 HD12 LEU A 906 7.928 -2.527 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 906 7.637 -2.120 -3.579 1.00 0.00 H new ATOM 0 HD21 LEU A 906 6.757 0.783 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 906 5.892 -0.325 -4.133 1.00 0.00 H new ATOM 0 HD23 LEU A 906 5.024 0.462 -2.794 1.00 0.00 H new ATOM 397 N LEU A 907 4.291 -2.024 0.765 1.00 0.00 N ATOM 398 CA LEU A 907 4.322 -1.317 2.041 1.00 0.00 C ATOM 399 C LEU A 907 4.727 -2.255 3.174 1.00 0.00 C ATOM 400 O LEU A 907 5.436 -1.857 4.099 1.00 0.00 O ATOM 401 CB LEU A 907 2.953 -0.702 2.339 1.00 0.00 C ATOM 402 CG LEU A 907 2.476 0.376 1.364 1.00 0.00 C ATOM 403 CD1 LEU A 907 0.997 0.666 1.572 1.00 0.00 C ATOM 404 CD2 LEU A 907 3.299 1.645 1.528 1.00 0.00 C ATOM 0 H LEU A 907 3.363 -2.104 0.349 1.00 0.00 H new ATOM 0 HA LEU A 907 5.064 -0.522 1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 907 2.213 -1.502 2.355 1.00 0.00 H new ATOM 0 HB3 LEU A 907 2.980 -0.272 3.340 1.00 0.00 H new ATOM 0 HG LEU A 907 2.614 0.007 0.348 1.00 0.00 H new ATOM 0 HD11 LEU A 907 0.675 1.435 0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 907 0.421 -0.244 1.403 1.00 0.00 H new ATOM 0 HD13 LEU A 907 0.834 1.015 2.592 1.00 0.00 H new ATOM 0 HD21 LEU A 907 2.946 2.401 0.827 1.00 0.00 H new ATOM 0 HD22 LEU A 907 3.194 2.018 2.547 1.00 0.00 H new ATOM 0 HD23 LEU A 907 4.348 1.427 1.328 1.00 0.00 H new ATOM 416 N SER A 908 4.275 -3.502 3.093 1.00 0.00 N ATOM 417 CA SER A 908 4.590 -4.497 4.112 1.00 0.00 C ATOM 418 C SER A 908 5.969 -5.102 3.873 1.00 0.00 C ATOM 419 O SER A 908 6.651 -5.511 4.812 1.00 0.00 O ATOM 420 CB SER A 908 3.530 -5.601 4.121 1.00 0.00 C ATOM 421 OG SER A 908 3.658 -6.420 5.270 1.00 0.00 O ATOM 0 H SER A 908 3.690 -3.848 2.333 1.00 0.00 H new ATOM 0 HA SER A 908 4.595 -3.999 5.082 1.00 0.00 H new ATOM 0 HB2 SER A 908 2.536 -5.155 4.097 1.00 0.00 H new ATOM 0 HB3 SER A 908 3.628 -6.211 3.223 1.00 0.00 H new ATOM 0 HG SER A 908 2.969 -7.117 5.254 1.00 0.00 H new ATOM 427 N ASP A 909 6.374 -5.156 2.608 1.00 0.00 N ATOM 428 CA ASP A 909 7.673 -5.710 2.244 1.00 0.00 C ATOM 429 C ASP A 909 8.800 -4.771 2.662 1.00 0.00 C ATOM 430 O ASP A 909 9.849 -5.214 3.129 1.00 0.00 O ATOM 431 CB ASP A 909 7.737 -5.965 0.737 1.00 0.00 C ATOM 432 CG ASP A 909 8.677 -7.101 0.383 1.00 0.00 C ATOM 433 OD1 ASP A 909 8.573 -8.176 1.011 1.00 0.00 O ATOM 434 OD2 ASP A 909 9.515 -6.915 -0.524 1.00 0.00 O ATOM 0 H ASP A 909 5.821 -4.823 1.818 1.00 0.00 H new ATOM 0 HA ASP A 909 7.799 -6.656 2.771 1.00 0.00 H new ATOM 0 HB2 ASP A 909 6.738 -6.195 0.367 1.00 0.00 H new ATOM 0 HB3 ASP A 909 8.063 -5.056 0.231 1.00 0.00 H new ATOM 439 N MET A 910 8.577 -3.472 2.489 1.00 0.00 N ATOM 440 CA MET A 910 9.575 -2.471 2.848 1.00 0.00 C ATOM 441 C MET A 910 9.299 -1.903 4.237 1.00 0.00 C ATOM 442 O MET A 910 10.081 -2.103 5.166 1.00 0.00 O ATOM 443 CB MET A 910 9.590 -1.342 1.816 1.00 0.00 C ATOM 444 CG MET A 910 9.585 -1.833 0.378 1.00 0.00 C ATOM 445 SD MET A 910 11.200 -2.429 -0.159 1.00 0.00 S ATOM 446 CE MET A 910 11.929 -0.915 -0.782 1.00 0.00 C ATOM 0 H MET A 910 7.715 -3.088 2.103 1.00 0.00 H new ATOM 0 HA MET A 910 10.552 -2.955 2.860 1.00 0.00 H new ATOM 0 HB2 MET A 910 8.722 -0.703 1.976 1.00 0.00 H new ATOM 0 HB3 MET A 910 10.474 -0.725 1.978 1.00 0.00 H new ATOM 0 HG2 MET A 910 8.854 -2.635 0.275 1.00 0.00 H new ATOM 0 HG3 MET A 910 9.265 -1.023 -0.277 1.00 0.00 H new ATOM 0 HE1 MET A 910 12.222 -1.054 -1.823 1.00 0.00 H new ATOM 0 HE2 MET A 910 11.201 -0.106 -0.714 1.00 0.00 H new ATOM 0 HE3 MET A 910 12.808 -0.663 -0.188 1.00 0.00 H new ATOM 456 N VAL A 911 8.183 -1.194 4.370 1.00 0.00 N ATOM 457 CA VAL A 911 7.805 -0.598 5.646 1.00 0.00 C ATOM 458 C VAL A 911 7.067 -1.602 6.524 1.00 0.00 C ATOM 459 O VAL A 911 5.852 -1.512 6.701 1.00 0.00 O ATOM 460 CB VAL A 911 6.914 0.643 5.443 1.00 0.00 C ATOM 461 CG1 VAL A 911 6.769 1.414 6.746 1.00 0.00 C ATOM 462 CG2 VAL A 911 7.481 1.532 4.347 1.00 0.00 C ATOM 0 H VAL A 911 7.525 -1.018 3.611 1.00 0.00 H new ATOM 0 HA VAL A 911 8.728 -0.297 6.141 1.00 0.00 H new ATOM 0 HB VAL A 911 5.923 0.312 5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 911 6.137 2.287 6.584 1.00 0.00 H new ATOM 0 HG12 VAL A 911 6.314 0.772 7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 911 7.752 1.737 7.089 1.00 0.00 H new ATOM 0 HG21 VAL A 911 6.839 2.403 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 911 8.483 1.858 4.625 1.00 0.00 H new ATOM 0 HG23 VAL A 911 7.527 0.973 3.412 1.00 0.00 H new ATOM 472 N ARG A 912 7.810 -2.557 7.073 1.00 0.00 N ATOM 473 CA ARG A 912 7.226 -3.580 7.933 1.00 0.00 C ATOM 474 C ARG A 912 7.115 -3.081 9.371 1.00 0.00 C ATOM 475 O ARG A 912 6.523 -3.743 10.224 1.00 0.00 O ATOM 476 CB ARG A 912 8.068 -4.856 7.888 1.00 0.00 C ATOM 477 CG ARG A 912 9.511 -4.650 8.319 1.00 0.00 C ATOM 478 CD ARG A 912 10.280 -5.961 8.337 1.00 0.00 C ATOM 479 NE ARG A 912 11.723 -5.751 8.264 1.00 0.00 N ATOM 480 CZ ARG A 912 12.612 -6.737 8.297 1.00 0.00 C ATOM 481 NH1 ARG A 912 12.208 -7.995 8.400 1.00 0.00 N ATOM 482 NH2 ARG A 912 13.909 -6.465 8.225 1.00 0.00 N ATOM 0 H ARG A 912 8.817 -2.644 6.938 1.00 0.00 H new ATOM 0 HA ARG A 912 6.224 -3.801 7.564 1.00 0.00 H new ATOM 0 HB2 ARG A 912 7.609 -5.607 8.532 1.00 0.00 H new ATOM 0 HB3 ARG A 912 8.054 -5.255 6.874 1.00 0.00 H new ATOM 0 HG2 ARG A 912 9.998 -3.951 7.640 1.00 0.00 H new ATOM 0 HG3 ARG A 912 9.535 -4.200 9.311 1.00 0.00 H new ATOM 0 HD2 ARG A 912 10.039 -6.510 9.248 1.00 0.00 H new ATOM 0 HD3 ARG A 912 9.961 -6.580 7.498 1.00 0.00 H new ATOM 0 HE ARG A 912 12.067 -4.794 8.183 1.00 0.00 H new ATOM 0 HH11 ARG A 912 11.212 -8.208 8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 912 12.893 -8.750 8.425 1.00 0.00 H new ATOM 0 HH21 ARG A 912 14.224 -5.498 8.144 1.00 0.00 H new ATOM 0 HH22 ARG A 912 14.591 -7.223 8.250 1.00 0.00 H new ATOM 496 N SER A 913 7.688 -1.911 9.633 1.00 0.00 N ATOM 497 CA SER A 913 7.657 -1.326 10.968 1.00 0.00 C ATOM 498 C SER A 913 6.344 -0.587 11.207 1.00 0.00 C ATOM 499 O SER A 913 5.652 -0.208 10.263 1.00 0.00 O ATOM 500 CB SER A 913 8.836 -0.369 11.156 1.00 0.00 C ATOM 501 OG SER A 913 8.763 0.291 12.408 1.00 0.00 O ATOM 0 H SER A 913 8.180 -1.349 8.938 1.00 0.00 H new ATOM 0 HA SER A 913 7.736 -2.135 11.694 1.00 0.00 H new ATOM 0 HB2 SER A 913 9.772 -0.923 11.087 1.00 0.00 H new ATOM 0 HB3 SER A 913 8.842 0.368 10.353 1.00 0.00 H new ATOM 0 HG SER A 913 9.528 0.895 12.504 1.00 0.00 H new ATOM 507 N SER A 914 6.008 -0.386 12.478 1.00 0.00 N ATOM 508 CA SER A 914 4.777 0.304 12.843 1.00 0.00 C ATOM 509 C SER A 914 5.080 1.593 13.600 1.00 0.00 C ATOM 510 O SER A 914 4.175 2.260 14.101 1.00 0.00 O ATOM 511 CB SER A 914 3.892 -0.606 13.697 1.00 0.00 C ATOM 512 OG SER A 914 4.439 -0.780 14.993 1.00 0.00 O ATOM 0 H SER A 914 6.571 -0.691 13.271 1.00 0.00 H new ATOM 0 HA SER A 914 4.247 0.559 11.925 1.00 0.00 H new ATOM 0 HB2 SER A 914 2.893 -0.177 13.775 1.00 0.00 H new ATOM 0 HB3 SER A 914 3.786 -1.576 13.211 1.00 0.00 H new ATOM 0 HG SER A 914 3.854 -1.364 15.519 1.00 0.00 H new ATOM 518 N ASP A 915 6.361 1.938 13.678 1.00 0.00 N ATOM 519 CA ASP A 915 6.786 3.148 14.372 1.00 0.00 C ATOM 520 C ASP A 915 7.410 4.142 13.398 1.00 0.00 C ATOM 521 O ASP A 915 8.465 4.716 13.672 1.00 0.00 O ATOM 522 CB ASP A 915 7.784 2.803 15.478 1.00 0.00 C ATOM 523 CG ASP A 915 7.115 2.184 16.690 1.00 0.00 C ATOM 524 OD1 ASP A 915 6.063 2.704 17.118 1.00 0.00 O ATOM 525 OD2 ASP A 915 7.642 1.179 17.210 1.00 0.00 O ATOM 0 H ASP A 915 7.123 1.397 13.269 1.00 0.00 H new ATOM 0 HA ASP A 915 5.906 3.609 14.819 1.00 0.00 H new ATOM 0 HB2 ASP A 915 8.531 2.112 15.087 1.00 0.00 H new ATOM 0 HB3 ASP A 915 8.313 3.707 15.781 1.00 0.00 H new ATOM 530 N VAL A 916 6.753 4.341 12.260 1.00 0.00 N ATOM 531 CA VAL A 916 7.243 5.266 11.246 1.00 0.00 C ATOM 532 C VAL A 916 6.159 6.256 10.834 1.00 0.00 C ATOM 533 O VAL A 916 5.002 6.127 11.234 1.00 0.00 O ATOM 534 CB VAL A 916 7.739 4.516 9.995 1.00 0.00 C ATOM 535 CG1 VAL A 916 9.108 3.903 10.248 1.00 0.00 C ATOM 536 CG2 VAL A 916 6.736 3.449 9.582 1.00 0.00 C ATOM 0 H VAL A 916 5.880 3.874 12.017 1.00 0.00 H new ATOM 0 HA VAL A 916 8.077 5.809 11.690 1.00 0.00 H new ATOM 0 HB VAL A 916 7.833 5.230 9.177 1.00 0.00 H new ATOM 0 HG11 VAL A 916 9.442 3.377 9.354 1.00 0.00 H new ATOM 0 HG12 VAL A 916 9.820 4.691 10.493 1.00 0.00 H new ATOM 0 HG13 VAL A 916 9.044 3.201 11.079 1.00 0.00 H new ATOM 0 HG21 VAL A 916 7.102 2.929 8.697 1.00 0.00 H new ATOM 0 HG22 VAL A 916 6.609 2.735 10.396 1.00 0.00 H new ATOM 0 HG23 VAL A 916 5.778 3.918 9.357 1.00 0.00 H new ATOM 546 N SER A 917 6.541 7.245 10.033 1.00 0.00 N ATOM 547 CA SER A 917 5.602 8.260 9.569 1.00 0.00 C ATOM 548 C SER A 917 5.550 8.296 8.045 1.00 0.00 C ATOM 549 O SER A 917 6.481 7.855 7.371 1.00 0.00 O ATOM 550 CB SER A 917 5.997 9.635 10.110 1.00 0.00 C ATOM 551 OG SER A 917 4.909 10.541 10.044 1.00 0.00 O ATOM 0 H SER A 917 7.495 7.365 9.692 1.00 0.00 H new ATOM 0 HA SER A 917 4.611 8.001 9.943 1.00 0.00 H new ATOM 0 HB2 SER A 917 6.333 9.540 11.143 1.00 0.00 H new ATOM 0 HB3 SER A 917 6.837 10.028 9.536 1.00 0.00 H new ATOM 0 HG SER A 917 5.187 11.412 10.397 1.00 0.00 H new ATOM 557 N TRP A 918 4.456 8.824 7.509 1.00 0.00 N ATOM 558 CA TRP A 918 4.281 8.918 6.064 1.00 0.00 C ATOM 559 C TRP A 918 5.578 9.346 5.386 1.00 0.00 C ATOM 560 O TRP A 918 6.119 8.623 4.548 1.00 0.00 O ATOM 561 CB TRP A 918 3.165 9.909 5.728 1.00 0.00 C ATOM 562 CG TRP A 918 3.114 10.275 4.276 1.00 0.00 C ATOM 563 CD1 TRP A 918 3.145 11.534 3.747 1.00 0.00 C ATOM 564 CD2 TRP A 918 3.020 9.374 3.167 1.00 0.00 C ATOM 565 NE1 TRP A 918 3.076 11.470 2.376 1.00 0.00 N ATOM 566 CE2 TRP A 918 3.000 10.156 1.996 1.00 0.00 C ATOM 567 CE3 TRP A 918 2.954 7.984 3.050 1.00 0.00 C ATOM 568 CZ2 TRP A 918 2.915 9.592 0.726 1.00 0.00 C ATOM 569 CZ3 TRP A 918 2.869 7.425 1.789 1.00 0.00 C ATOM 570 CH2 TRP A 918 2.851 8.227 0.640 1.00 0.00 C ATOM 0 H TRP A 918 3.676 9.194 8.053 1.00 0.00 H new ATOM 0 HA TRP A 918 4.006 7.931 5.691 1.00 0.00 H new ATOM 0 HB2 TRP A 918 2.207 9.480 6.021 1.00 0.00 H new ATOM 0 HB3 TRP A 918 3.303 10.814 6.319 1.00 0.00 H new ATOM 0 HD1 TRP A 918 3.214 12.446 4.322 1.00 0.00 H new ATOM 0 HE1 TRP A 918 3.081 12.271 1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 918 2.969 7.357 3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 918 2.900 10.209 -0.160 1.00 0.00 H new ATOM 0 HZ3 TRP A 918 2.816 6.351 1.687 1.00 0.00 H new ATOM 0 HH2 TRP A 918 2.785 7.760 -0.331 1.00 0.00 H new ATOM 581 N SER A 919 6.073 10.523 5.753 1.00 0.00 N ATOM 582 CA SER A 919 7.305 11.048 5.177 1.00 0.00 C ATOM 583 C SER A 919 8.299 9.923 4.904 1.00 0.00 C ATOM 584 O SER A 919 8.575 9.589 3.751 1.00 0.00 O ATOM 585 CB SER A 919 7.932 12.082 6.114 1.00 0.00 C ATOM 586 OG SER A 919 6.962 13.006 6.575 1.00 0.00 O ATOM 0 H SER A 919 5.639 11.132 6.447 1.00 0.00 H new ATOM 0 HA SER A 919 7.058 11.529 4.231 1.00 0.00 H new ATOM 0 HB2 SER A 919 8.390 11.577 6.964 1.00 0.00 H new ATOM 0 HB3 SER A 919 8.728 12.615 5.593 1.00 0.00 H new ATOM 0 HG SER A 919 7.387 13.655 7.173 1.00 0.00 H new ATOM 592 N ASP A 920 8.834 9.343 5.972 1.00 0.00 N ATOM 593 CA ASP A 920 9.797 8.255 5.850 1.00 0.00 C ATOM 594 C ASP A 920 9.355 7.255 4.785 1.00 0.00 C ATOM 595 O ASP A 920 10.143 6.857 3.926 1.00 0.00 O ATOM 596 CB ASP A 920 9.970 7.544 7.193 1.00 0.00 C ATOM 597 CG ASP A 920 10.584 8.443 8.248 1.00 0.00 C ATOM 598 OD1 ASP A 920 10.450 9.679 8.127 1.00 0.00 O ATOM 599 OD2 ASP A 920 11.197 7.911 9.197 1.00 0.00 O ATOM 0 H ASP A 920 8.617 9.608 6.933 1.00 0.00 H new ATOM 0 HA ASP A 920 10.753 8.682 5.548 1.00 0.00 H new ATOM 0 HB2 ASP A 920 9.000 7.190 7.541 1.00 0.00 H new ATOM 0 HB3 ASP A 920 10.600 6.665 7.057 1.00 0.00 H new ATOM 604 N THR A 921 8.090 6.852 4.848 1.00 0.00 N ATOM 605 CA THR A 921 7.544 5.898 3.891 1.00 0.00 C ATOM 606 C THR A 921 7.661 6.421 2.464 1.00 0.00 C ATOM 607 O THR A 921 8.403 5.870 1.651 1.00 0.00 O ATOM 608 CB THR A 921 6.065 5.586 4.191 1.00 0.00 C ATOM 609 OG1 THR A 921 5.909 5.236 5.571 1.00 0.00 O ATOM 610 CG2 THR A 921 5.563 4.449 3.314 1.00 0.00 C ATOM 0 H THR A 921 7.424 7.171 5.552 1.00 0.00 H new ATOM 0 HA THR A 921 8.129 4.983 3.989 1.00 0.00 H new ATOM 0 HB THR A 921 5.477 6.478 3.974 1.00 0.00 H new ATOM 0 HG1 THR A 921 5.000 4.903 5.723 1.00 0.00 H new ATOM 0 HG21 THR A 921 4.517 4.247 3.544 1.00 0.00 H new ATOM 0 HG22 THR A 921 5.656 4.730 2.265 1.00 0.00 H new ATOM 0 HG23 THR A 921 6.156 3.554 3.504 1.00 0.00 H new ATOM 618 N ARG A 922 6.926 7.487 2.167 1.00 0.00 N ATOM 619 CA ARG A 922 6.948 8.084 0.837 1.00 0.00 C ATOM 620 C ARG A 922 8.342 7.993 0.224 1.00 0.00 C ATOM 621 O ARG A 922 8.506 7.526 -0.903 1.00 0.00 O ATOM 622 CB ARG A 922 6.503 9.546 0.904 1.00 0.00 C ATOM 623 CG ARG A 922 6.067 10.112 -0.438 1.00 0.00 C ATOM 624 CD ARG A 922 5.544 11.533 -0.300 1.00 0.00 C ATOM 625 NE ARG A 922 5.261 12.140 -1.598 1.00 0.00 N ATOM 626 CZ ARG A 922 4.748 13.357 -1.744 1.00 0.00 C ATOM 627 NH1 ARG A 922 4.462 14.092 -0.677 1.00 0.00 N ATOM 628 NH2 ARG A 922 4.519 13.841 -2.958 1.00 0.00 N ATOM 0 H ARG A 922 6.308 7.955 2.829 1.00 0.00 H new ATOM 0 HA ARG A 922 6.255 7.529 0.205 1.00 0.00 H new ATOM 0 HB2 ARG A 922 5.678 9.634 1.611 1.00 0.00 H new ATOM 0 HB3 ARG A 922 7.323 10.149 1.294 1.00 0.00 H new ATOM 0 HG2 ARG A 922 6.909 10.099 -1.130 1.00 0.00 H new ATOM 0 HG3 ARG A 922 5.291 9.478 -0.867 1.00 0.00 H new ATOM 0 HD2 ARG A 922 4.636 11.528 0.304 1.00 0.00 H new ATOM 0 HD3 ARG A 922 6.277 12.139 0.232 1.00 0.00 H new ATOM 0 HE ARG A 922 5.468 11.600 -2.438 1.00 0.00 H new ATOM 0 HH11 ARG A 922 4.636 13.723 0.258 1.00 0.00 H new ATOM 0 HH12 ARG A 922 4.068 15.026 -0.792 1.00 0.00 H new ATOM 0 HH21 ARG A 922 4.737 13.279 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG A 922 4.125 14.775 -3.069 1.00 0.00 H new ATOM 642 N ARG A 923 9.343 8.443 0.973 1.00 0.00 N ATOM 643 CA ARG A 923 10.723 8.414 0.502 1.00 0.00 C ATOM 644 C ARG A 923 11.195 6.979 0.290 1.00 0.00 C ATOM 645 O ARG A 923 11.540 6.585 -0.824 1.00 0.00 O ATOM 646 CB ARG A 923 11.640 9.122 1.502 1.00 0.00 C ATOM 647 CG ARG A 923 11.299 10.589 1.709 1.00 0.00 C ATOM 648 CD ARG A 923 12.316 11.276 2.606 1.00 0.00 C ATOM 649 NE ARG A 923 13.670 11.188 2.065 1.00 0.00 N ATOM 650 CZ ARG A 923 14.475 10.151 2.266 1.00 0.00 C ATOM 651 NH1 ARG A 923 14.065 9.119 2.991 1.00 0.00 N ATOM 652 NH2 ARG A 923 15.694 10.144 1.741 1.00 0.00 N ATOM 0 H ARG A 923 9.225 8.832 1.908 1.00 0.00 H new ATOM 0 HA ARG A 923 10.766 8.937 -0.453 1.00 0.00 H new ATOM 0 HB2 ARG A 923 11.585 8.606 2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 923 12.671 9.043 1.156 1.00 0.00 H new ATOM 0 HG2 ARG A 923 11.263 11.095 0.744 1.00 0.00 H new ATOM 0 HG3 ARG A 923 10.306 10.674 2.151 1.00 0.00 H new ATOM 0 HD2 ARG A 923 12.042 12.324 2.729 1.00 0.00 H new ATOM 0 HD3 ARG A 923 12.291 10.822 3.597 1.00 0.00 H new ATOM 0 HE ARG A 923 14.016 11.965 1.502 1.00 0.00 H new ATOM 0 HH11 ARG A 923 13.129 9.120 3.396 1.00 0.00 H new ATOM 0 HH12 ARG A 923 14.686 8.324 3.143 1.00 0.00 H new ATOM 0 HH21 ARG A 923 16.013 10.936 1.183 1.00 0.00 H new ATOM 0 HH22 ARG A 923 16.311 9.347 1.896 1.00 0.00 H new ATOM 666 N THR A 924 11.208 6.200 1.368 1.00 0.00 N ATOM 667 CA THR A 924 11.639 4.810 1.301 1.00 0.00 C ATOM 668 C THR A 924 11.139 4.140 0.026 1.00 0.00 C ATOM 669 O THR A 924 11.872 3.393 -0.624 1.00 0.00 O ATOM 670 CB THR A 924 11.141 4.008 2.518 1.00 0.00 C ATOM 671 OG1 THR A 924 11.659 4.577 3.725 1.00 0.00 O ATOM 672 CG2 THR A 924 11.564 2.550 2.416 1.00 0.00 C ATOM 0 H THR A 924 10.925 6.509 2.298 1.00 0.00 H new ATOM 0 HA THR A 924 12.729 4.817 1.301 1.00 0.00 H new ATOM 0 HB THR A 924 10.052 4.053 2.534 1.00 0.00 H new ATOM 0 HG1 THR A 924 11.140 5.375 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 924 11.201 2.004 3.287 1.00 0.00 H new ATOM 0 HG22 THR A 924 11.143 2.111 1.511 1.00 0.00 H new ATOM 0 HG23 THR A 924 12.652 2.489 2.377 1.00 0.00 H new ATOM 680 N LEU A 925 9.888 4.411 -0.327 1.00 0.00 N ATOM 681 CA LEU A 925 9.289 3.835 -1.526 1.00 0.00 C ATOM 682 C LEU A 925 9.834 4.506 -2.783 1.00 0.00 C ATOM 683 O LEU A 925 10.179 3.835 -3.757 1.00 0.00 O ATOM 684 CB LEU A 925 7.767 3.976 -1.479 1.00 0.00 C ATOM 685 CG LEU A 925 7.096 3.569 -0.166 1.00 0.00 C ATOM 686 CD1 LEU A 925 5.632 3.982 -0.165 1.00 0.00 C ATOM 687 CD2 LEU A 925 7.230 2.070 0.059 1.00 0.00 C ATOM 0 H LEU A 925 9.268 5.026 0.200 1.00 0.00 H new ATOM 0 HA LEU A 925 9.549 2.777 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 925 7.512 5.015 -1.688 1.00 0.00 H new ATOM 0 HB3 LEU A 925 7.341 3.375 -2.283 1.00 0.00 H new ATOM 0 HG LEU A 925 7.598 4.085 0.652 1.00 0.00 H new ATOM 0 HD11 LEU A 925 5.171 3.684 0.777 1.00 0.00 H new ATOM 0 HD12 LEU A 925 5.559 5.064 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 925 5.116 3.494 -0.992 1.00 0.00 H new ATOM 0 HD21 LEU A 925 6.747 1.798 0.998 1.00 0.00 H new ATOM 0 HD22 LEU A 925 6.754 1.535 -0.762 1.00 0.00 H new ATOM 0 HD23 LEU A 925 8.286 1.802 0.103 1.00 0.00 H new ATOM 699 N ARG A 926 9.911 5.832 -2.754 1.00 0.00 N ATOM 700 CA ARG A 926 10.415 6.593 -3.891 1.00 0.00 C ATOM 701 C ARG A 926 11.657 5.931 -4.481 1.00 0.00 C ATOM 702 O ARG A 926 11.919 6.034 -5.679 1.00 0.00 O ATOM 703 CB ARG A 926 10.742 8.027 -3.467 1.00 0.00 C ATOM 704 CG ARG A 926 9.571 8.986 -3.611 1.00 0.00 C ATOM 705 CD ARG A 926 9.939 10.387 -3.151 1.00 0.00 C ATOM 706 NE ARG A 926 10.524 11.181 -4.228 1.00 0.00 N ATOM 707 CZ ARG A 926 10.619 12.506 -4.197 1.00 0.00 C ATOM 708 NH1 ARG A 926 10.169 13.181 -3.149 1.00 0.00 N ATOM 709 NH2 ARG A 926 11.164 13.157 -5.217 1.00 0.00 N ATOM 0 H ARG A 926 9.631 6.402 -1.956 1.00 0.00 H new ATOM 0 HA ARG A 926 9.638 6.615 -4.655 1.00 0.00 H new ATOM 0 HB2 ARG A 926 11.072 8.024 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 926 11.576 8.393 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 926 9.250 9.016 -4.652 1.00 0.00 H new ATOM 0 HG3 ARG A 926 8.726 8.620 -3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 926 9.049 10.890 -2.772 1.00 0.00 H new ATOM 0 HD3 ARG A 926 10.645 10.323 -2.323 1.00 0.00 H new ATOM 0 HE ARG A 926 10.879 10.691 -5.049 1.00 0.00 H new ATOM 0 HH11 ARG A 926 9.749 12.683 -2.364 1.00 0.00 H new ATOM 0 HH12 ARG A 926 10.243 14.198 -3.127 1.00 0.00 H new ATOM 0 HH21 ARG A 926 11.510 12.640 -6.025 1.00 0.00 H new ATOM 0 HH22 ARG A 926 11.237 14.174 -5.193 1.00 0.00 H new ATOM 723 N LYS A 927 12.419 5.251 -3.631 1.00 0.00 N ATOM 724 CA LYS A 927 13.633 4.571 -4.067 1.00 0.00 C ATOM 725 C LYS A 927 13.303 3.224 -4.702 1.00 0.00 C ATOM 726 O LYS A 927 13.987 2.778 -5.624 1.00 0.00 O ATOM 727 CB LYS A 927 14.582 4.369 -2.883 1.00 0.00 C ATOM 728 CG LYS A 927 15.313 5.634 -2.468 1.00 0.00 C ATOM 729 CD LYS A 927 16.662 5.319 -1.843 1.00 0.00 C ATOM 730 CE LYS A 927 17.764 5.271 -2.890 1.00 0.00 C ATOM 731 NZ LYS A 927 17.880 3.923 -3.511 1.00 0.00 N ATOM 0 H LYS A 927 12.217 5.156 -2.636 1.00 0.00 H new ATOM 0 HA LYS A 927 14.122 5.196 -4.814 1.00 0.00 H new ATOM 0 HB2 LYS A 927 14.014 3.992 -2.033 1.00 0.00 H new ATOM 0 HB3 LYS A 927 15.314 3.604 -3.141 1.00 0.00 H new ATOM 0 HG2 LYS A 927 15.455 6.275 -3.338 1.00 0.00 H new ATOM 0 HG3 LYS A 927 14.703 6.191 -1.757 1.00 0.00 H new ATOM 0 HD2 LYS A 927 16.903 6.074 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 927 16.609 4.362 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 927 17.562 6.011 -3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 927 18.714 5.542 -2.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 927 18.830 3.809 -3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 927 17.725 3.193 -2.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 927 17.167 3.824 -4.261 1.00 0.00 H new ATOM 745 N ASP A 928 12.251 2.582 -4.206 1.00 0.00 N ATOM 746 CA ASP A 928 11.830 1.287 -4.728 1.00 0.00 C ATOM 747 C ASP A 928 11.476 1.387 -6.208 1.00 0.00 C ATOM 748 O ASP A 928 11.312 2.483 -6.746 1.00 0.00 O ATOM 749 CB ASP A 928 10.630 0.762 -3.938 1.00 0.00 C ATOM 750 CG ASP A 928 9.940 -0.395 -4.635 1.00 0.00 C ATOM 751 OD1 ASP A 928 10.556 -1.476 -4.742 1.00 0.00 O ATOM 752 OD2 ASP A 928 8.784 -0.218 -5.072 1.00 0.00 O ATOM 0 H ASP A 928 11.674 2.937 -3.443 1.00 0.00 H new ATOM 0 HA ASP A 928 12.661 0.590 -4.618 1.00 0.00 H new ATOM 0 HB2 ASP A 928 10.961 0.442 -2.950 1.00 0.00 H new ATOM 0 HB3 ASP A 928 9.915 1.571 -3.788 1.00 0.00 H new ATOM 757 N HIS A 929 11.360 0.236 -6.863 1.00 0.00 N ATOM 758 CA HIS A 929 11.026 0.193 -8.282 1.00 0.00 C ATOM 759 C HIS A 929 9.514 0.176 -8.484 1.00 0.00 C ATOM 760 O HIS A 929 8.974 0.956 -9.269 1.00 0.00 O ATOM 761 CB HIS A 929 11.654 -1.036 -8.939 1.00 0.00 C ATOM 762 CG HIS A 929 10.915 -1.510 -10.152 1.00 0.00 C ATOM 763 ND1 HIS A 929 10.313 -2.748 -10.232 1.00 0.00 N ATOM 764 CD2 HIS A 929 10.682 -0.903 -11.340 1.00 0.00 C ATOM 765 CE1 HIS A 929 9.743 -2.882 -11.416 1.00 0.00 C ATOM 766 NE2 HIS A 929 9.952 -1.776 -12.107 1.00 0.00 N ATOM 0 H HIS A 929 11.492 -0.680 -6.433 1.00 0.00 H new ATOM 0 HA HIS A 929 11.428 1.091 -8.751 1.00 0.00 H new ATOM 0 HB2 HIS A 929 12.682 -0.803 -9.218 1.00 0.00 H new ATOM 0 HB3 HIS A 929 11.697 -1.845 -8.210 1.00 0.00 H new ATOM 0 HD2 HIS A 929 11.010 0.084 -11.630 1.00 0.00 H new ATOM 0 HE1 HIS A 929 9.199 -3.749 -11.761 1.00 0.00 H new ATOM 0 HE2 HIS A 929 9.624 -1.599 -13.057 1.00 0.00 H new ATOM 774 N ARG A 930 8.836 -0.718 -7.771 1.00 0.00 N ATOM 775 CA ARG A 930 7.387 -0.838 -7.874 1.00 0.00 C ATOM 776 C ARG A 930 6.713 0.514 -7.657 1.00 0.00 C ATOM 777 O ARG A 930 5.654 0.788 -8.222 1.00 0.00 O ATOM 778 CB ARG A 930 6.864 -1.850 -6.853 1.00 0.00 C ATOM 779 CG ARG A 930 7.328 -3.274 -7.114 1.00 0.00 C ATOM 780 CD ARG A 930 8.727 -3.513 -6.569 1.00 0.00 C ATOM 781 NE ARG A 930 8.926 -4.901 -6.164 1.00 0.00 N ATOM 782 CZ ARG A 930 8.248 -5.485 -5.181 1.00 0.00 C ATOM 783 NH1 ARG A 930 7.332 -4.803 -4.508 1.00 0.00 N ATOM 784 NH2 ARG A 930 8.487 -6.753 -4.871 1.00 0.00 N ATOM 0 H ARG A 930 9.268 -1.370 -7.116 1.00 0.00 H new ATOM 0 HA ARG A 930 7.147 -1.188 -8.878 1.00 0.00 H new ATOM 0 HB2 ARG A 930 7.187 -1.548 -5.857 1.00 0.00 H new ATOM 0 HB3 ARG A 930 5.774 -1.826 -6.855 1.00 0.00 H new ATOM 0 HG2 ARG A 930 6.632 -3.975 -6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 930 7.315 -3.471 -8.186 1.00 0.00 H new ATOM 0 HD2 ARG A 930 9.462 -3.248 -7.329 1.00 0.00 H new ATOM 0 HD3 ARG A 930 8.900 -2.858 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 930 9.624 -5.453 -6.663 1.00 0.00 H new ATOM 0 HH11 ARG A 930 7.146 -3.828 -4.744 1.00 0.00 H new ATOM 0 HH12 ARG A 930 6.813 -5.253 -3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 930 9.191 -7.280 -5.387 1.00 0.00 H new ATOM 0 HH22 ARG A 930 7.966 -7.200 -4.117 1.00 0.00 H new ATOM 798 N TRP A 931 7.333 1.353 -6.835 1.00 0.00 N ATOM 799 CA TRP A 931 6.793 2.676 -6.544 1.00 0.00 C ATOM 800 C TRP A 931 6.256 3.336 -7.809 1.00 0.00 C ATOM 801 O TRP A 931 5.305 4.116 -7.756 1.00 0.00 O ATOM 802 CB TRP A 931 7.868 3.560 -5.910 1.00 0.00 C ATOM 803 CG TRP A 931 7.560 5.024 -5.996 1.00 0.00 C ATOM 804 CD1 TRP A 931 7.931 5.883 -6.991 1.00 0.00 C ATOM 805 CD2 TRP A 931 6.818 5.801 -5.049 1.00 0.00 C ATOM 806 NE1 TRP A 931 7.465 7.147 -6.719 1.00 0.00 N ATOM 807 CE2 TRP A 931 6.778 7.123 -5.534 1.00 0.00 C ATOM 808 CE3 TRP A 931 6.182 5.508 -3.839 1.00 0.00 C ATOM 809 CZ2 TRP A 931 6.129 8.147 -4.850 1.00 0.00 C ATOM 810 CZ3 TRP A 931 5.538 6.526 -3.162 1.00 0.00 C ATOM 811 CH2 TRP A 931 5.515 7.833 -3.669 1.00 0.00 C ATOM 0 H TRP A 931 8.210 1.141 -6.358 1.00 0.00 H new ATOM 0 HA TRP A 931 5.969 2.557 -5.841 1.00 0.00 H new ATOM 0 HB2 TRP A 931 7.986 3.282 -4.863 1.00 0.00 H new ATOM 0 HB3 TRP A 931 8.822 3.367 -6.400 1.00 0.00 H new ATOM 0 HD1 TRP A 931 8.506 5.609 -7.863 1.00 0.00 H new ATOM 0 HE1 TRP A 931 7.608 7.970 -7.305 1.00 0.00 H new ATOM 0 HE3 TRP A 931 6.194 4.504 -3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 931 6.111 9.155 -5.238 1.00 0.00 H new ATOM 0 HZ3 TRP A 931 5.044 6.311 -2.226 1.00 0.00 H new ATOM 0 HH2 TRP A 931 5.003 8.607 -3.116 1.00 0.00 H new ATOM 822 N GLU A 932 6.870 3.018 -8.944 1.00 0.00 N ATOM 823 CA GLU A 932 6.452 3.581 -10.222 1.00 0.00 C ATOM 824 C GLU A 932 4.973 3.309 -10.479 1.00 0.00 C ATOM 825 O GLU A 932 4.212 4.217 -10.813 1.00 0.00 O ATOM 826 CB GLU A 932 7.294 3.001 -11.360 1.00 0.00 C ATOM 827 CG GLU A 932 7.432 3.934 -12.552 1.00 0.00 C ATOM 828 CD GLU A 932 8.359 3.385 -13.619 1.00 0.00 C ATOM 829 OE1 GLU A 932 7.892 2.590 -14.460 1.00 0.00 O ATOM 830 OE2 GLU A 932 9.553 3.751 -13.612 1.00 0.00 O ATOM 0 H GLU A 932 7.658 2.374 -9.004 1.00 0.00 H new ATOM 0 HA GLU A 932 6.603 4.660 -10.181 1.00 0.00 H new ATOM 0 HB2 GLU A 932 8.287 2.761 -10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 932 6.845 2.065 -11.692 1.00 0.00 H new ATOM 0 HG2 GLU A 932 6.448 4.110 -12.987 1.00 0.00 H new ATOM 0 HG3 GLU A 932 7.807 4.899 -12.212 1.00 0.00 H new ATOM 837 N SER A 933 4.573 2.051 -10.322 1.00 0.00 N ATOM 838 CA SER A 933 3.186 1.657 -10.541 1.00 0.00 C ATOM 839 C SER A 933 2.267 2.307 -9.512 1.00 0.00 C ATOM 840 O SER A 933 1.121 2.641 -9.809 1.00 0.00 O ATOM 841 CB SER A 933 3.050 0.135 -10.474 1.00 0.00 C ATOM 842 OG SER A 933 3.387 -0.351 -9.186 1.00 0.00 O ATOM 0 H SER A 933 5.190 1.287 -10.044 1.00 0.00 H new ATOM 0 HA SER A 933 2.890 1.998 -11.533 1.00 0.00 H new ATOM 0 HB2 SER A 933 2.028 -0.153 -10.719 1.00 0.00 H new ATOM 0 HB3 SER A 933 3.698 -0.324 -11.220 1.00 0.00 H new ATOM 0 HG SER A 933 4.250 0.023 -8.911 1.00 0.00 H new ATOM 848 N GLY A 934 2.780 2.484 -8.298 1.00 0.00 N ATOM 849 CA GLY A 934 1.993 3.093 -7.241 1.00 0.00 C ATOM 850 C GLY A 934 1.523 4.489 -7.600 1.00 0.00 C ATOM 851 O GLY A 934 0.638 5.040 -6.946 1.00 0.00 O ATOM 0 H GLY A 934 3.726 2.217 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 934 1.128 2.465 -7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 934 2.587 3.136 -6.328 1.00 0.00 H new ATOM 855 N SER A 935 2.116 5.062 -8.642 1.00 0.00 N ATOM 856 CA SER A 935 1.756 6.404 -9.084 1.00 0.00 C ATOM 857 C SER A 935 0.249 6.523 -9.287 1.00 0.00 C ATOM 858 O SER A 935 -0.366 7.517 -8.897 1.00 0.00 O ATOM 859 CB SER A 935 2.486 6.749 -10.384 1.00 0.00 C ATOM 860 OG SER A 935 3.806 7.194 -10.124 1.00 0.00 O ATOM 0 H SER A 935 2.848 4.618 -9.196 1.00 0.00 H new ATOM 0 HA SER A 935 2.057 7.108 -8.309 1.00 0.00 H new ATOM 0 HB2 SER A 935 2.515 5.873 -11.032 1.00 0.00 H new ATOM 0 HB3 SER A 935 1.936 7.523 -10.919 1.00 0.00 H new ATOM 0 HG SER A 935 4.434 6.455 -10.267 1.00 0.00 H new ATOM 866 N LEU A 936 -0.342 5.503 -9.900 1.00 0.00 N ATOM 867 CA LEU A 936 -1.778 5.492 -10.156 1.00 0.00 C ATOM 868 C LEU A 936 -2.550 6.017 -8.950 1.00 0.00 C ATOM 869 O LEU A 936 -3.514 6.769 -9.097 1.00 0.00 O ATOM 870 CB LEU A 936 -2.244 4.075 -10.496 1.00 0.00 C ATOM 871 CG LEU A 936 -1.929 3.586 -11.910 1.00 0.00 C ATOM 872 CD1 LEU A 936 -1.999 2.069 -11.979 1.00 0.00 C ATOM 873 CD2 LEU A 936 -2.886 4.211 -12.915 1.00 0.00 C ATOM 0 H LEU A 936 0.151 4.673 -10.229 1.00 0.00 H new ATOM 0 HA LEU A 936 -1.976 6.147 -11.004 1.00 0.00 H new ATOM 0 HB2 LEU A 936 -1.790 3.385 -9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 936 -3.323 4.023 -10.347 1.00 0.00 H new ATOM 0 HG LEU A 936 -0.914 3.894 -12.162 1.00 0.00 H new ATOM 0 HD11 LEU A 936 -1.772 1.740 -12.993 1.00 0.00 H new ATOM 0 HD12 LEU A 936 -1.274 1.639 -11.287 1.00 0.00 H new ATOM 0 HD13 LEU A 936 -3.001 1.738 -11.706 1.00 0.00 H new ATOM 0 HD21 LEU A 936 -2.648 3.852 -13.916 1.00 0.00 H new ATOM 0 HD22 LEU A 936 -3.910 3.933 -12.664 1.00 0.00 H new ATOM 0 HD23 LEU A 936 -2.787 5.296 -12.885 1.00 0.00 H new ATOM 885 N LEU A 937 -2.119 5.619 -7.758 1.00 0.00 N ATOM 886 CA LEU A 937 -2.768 6.052 -6.526 1.00 0.00 C ATOM 887 C LEU A 937 -2.363 7.479 -6.169 1.00 0.00 C ATOM 888 O LEU A 937 -1.188 7.761 -5.939 1.00 0.00 O ATOM 889 CB LEU A 937 -2.410 5.106 -5.378 1.00 0.00 C ATOM 890 CG LEU A 937 -2.437 3.613 -5.706 1.00 0.00 C ATOM 891 CD1 LEU A 937 -1.652 2.824 -4.669 1.00 0.00 C ATOM 892 CD2 LEU A 937 -3.872 3.111 -5.786 1.00 0.00 C ATOM 0 H LEU A 937 -1.323 4.997 -7.619 1.00 0.00 H new ATOM 0 HA LEU A 937 -3.846 6.029 -6.685 1.00 0.00 H new ATOM 0 HB2 LEU A 937 -1.412 5.361 -5.021 1.00 0.00 H new ATOM 0 HB3 LEU A 937 -3.100 5.289 -4.554 1.00 0.00 H new ATOM 0 HG LEU A 937 -1.966 3.465 -6.678 1.00 0.00 H new ATOM 0 HD11 LEU A 937 -1.682 1.764 -4.919 1.00 0.00 H new ATOM 0 HD12 LEU A 937 -0.617 3.165 -4.660 1.00 0.00 H new ATOM 0 HD13 LEU A 937 -2.094 2.977 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 937 -3.873 2.046 -6.020 1.00 0.00 H new ATOM 0 HD22 LEU A 937 -4.368 3.272 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 937 -4.405 3.655 -6.566 1.00 0.00 H new ATOM 904 N GLU A 938 -3.345 8.373 -6.123 1.00 0.00 N ATOM 905 CA GLU A 938 -3.091 9.770 -5.793 1.00 0.00 C ATOM 906 C GLU A 938 -2.478 9.897 -4.401 1.00 0.00 C ATOM 907 O GLU A 938 -2.657 9.025 -3.551 1.00 0.00 O ATOM 908 CB GLU A 938 -4.387 10.580 -5.867 1.00 0.00 C ATOM 909 CG GLU A 938 -5.379 10.243 -4.766 1.00 0.00 C ATOM 910 CD GLU A 938 -6.816 10.487 -5.182 1.00 0.00 C ATOM 911 OE1 GLU A 938 -7.154 11.647 -5.500 1.00 0.00 O ATOM 912 OE2 GLU A 938 -7.604 9.518 -5.188 1.00 0.00 O ATOM 0 H GLU A 938 -4.324 8.155 -6.310 1.00 0.00 H new ATOM 0 HA GLU A 938 -2.383 10.165 -6.521 1.00 0.00 H new ATOM 0 HB2 GLU A 938 -4.146 11.642 -5.815 1.00 0.00 H new ATOM 0 HB3 GLU A 938 -4.858 10.408 -6.835 1.00 0.00 H new ATOM 0 HG2 GLU A 938 -5.259 9.198 -4.482 1.00 0.00 H new ATOM 0 HG3 GLU A 938 -5.154 10.841 -3.883 1.00 0.00 H new ATOM 919 N ARG A 939 -1.754 10.989 -4.177 1.00 0.00 N ATOM 920 CA ARG A 939 -1.114 11.230 -2.890 1.00 0.00 C ATOM 921 C ARG A 939 -2.067 10.916 -1.740 1.00 0.00 C ATOM 922 O ARG A 939 -1.653 10.405 -0.701 1.00 0.00 O ATOM 923 CB ARG A 939 -0.644 12.683 -2.794 1.00 0.00 C ATOM 924 CG ARG A 939 -1.724 13.696 -3.134 1.00 0.00 C ATOM 925 CD ARG A 939 -1.232 15.122 -2.941 1.00 0.00 C ATOM 926 NE ARG A 939 -0.489 15.607 -4.101 1.00 0.00 N ATOM 927 CZ ARG A 939 -0.264 16.893 -4.344 1.00 0.00 C ATOM 928 NH1 ARG A 939 -0.720 17.819 -3.511 1.00 0.00 N ATOM 929 NH2 ARG A 939 0.421 17.256 -5.421 1.00 0.00 N ATOM 0 H ARG A 939 -1.596 11.720 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 939 -0.250 10.569 -2.814 1.00 0.00 H new ATOM 0 HB2 ARG A 939 -0.284 12.874 -1.783 1.00 0.00 H new ATOM 0 HB3 ARG A 939 0.202 12.827 -3.466 1.00 0.00 H new ATOM 0 HG2 ARG A 939 -2.043 13.557 -4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 939 -2.597 13.523 -2.505 1.00 0.00 H new ATOM 0 HD2 ARG A 939 -2.083 15.777 -2.756 1.00 0.00 H new ATOM 0 HD3 ARG A 939 -0.596 15.169 -2.057 1.00 0.00 H new ATOM 0 HE ARG A 939 -0.123 14.920 -4.761 1.00 0.00 H new ATOM 0 HH11 ARG A 939 -1.245 17.544 -2.681 1.00 0.00 H new ATOM 0 HH12 ARG A 939 -0.545 18.806 -3.700 1.00 0.00 H new ATOM 0 HH21 ARG A 939 0.775 16.547 -6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 939 0.593 18.244 -5.607 1.00 0.00 H new ATOM 943 N GLU A 940 -3.345 11.226 -1.936 1.00 0.00 N ATOM 944 CA GLU A 940 -4.355 10.978 -0.915 1.00 0.00 C ATOM 945 C GLU A 940 -4.542 9.481 -0.687 1.00 0.00 C ATOM 946 O GLU A 940 -4.670 9.027 0.450 1.00 0.00 O ATOM 947 CB GLU A 940 -5.688 11.613 -1.320 1.00 0.00 C ATOM 948 CG GLU A 940 -5.565 13.067 -1.742 1.00 0.00 C ATOM 949 CD GLU A 940 -6.744 13.534 -2.575 1.00 0.00 C ATOM 950 OE1 GLU A 940 -7.896 13.292 -2.161 1.00 0.00 O ATOM 951 OE2 GLU A 940 -6.512 14.141 -3.642 1.00 0.00 O ATOM 0 H GLU A 940 -3.705 11.649 -2.792 1.00 0.00 H new ATOM 0 HA GLU A 940 -4.012 11.430 0.016 1.00 0.00 H new ATOM 0 HB2 GLU A 940 -6.119 11.040 -2.141 1.00 0.00 H new ATOM 0 HB3 GLU A 940 -6.383 11.544 -0.483 1.00 0.00 H new ATOM 0 HG2 GLU A 940 -5.481 13.693 -0.854 1.00 0.00 H new ATOM 0 HG3 GLU A 940 -4.646 13.199 -2.313 1.00 0.00 H new ATOM 958 N GLU A 941 -4.555 8.719 -1.776 1.00 0.00 N ATOM 959 CA GLU A 941 -4.727 7.273 -1.695 1.00 0.00 C ATOM 960 C GLU A 941 -3.480 6.609 -1.118 1.00 0.00 C ATOM 961 O GLU A 941 -3.570 5.622 -0.388 1.00 0.00 O ATOM 962 CB GLU A 941 -5.034 6.695 -3.078 1.00 0.00 C ATOM 963 CG GLU A 941 -5.469 5.239 -3.046 1.00 0.00 C ATOM 964 CD GLU A 941 -6.531 4.971 -1.998 1.00 0.00 C ATOM 965 OE1 GLU A 941 -7.370 5.865 -1.762 1.00 0.00 O ATOM 966 OE2 GLU A 941 -6.524 3.867 -1.414 1.00 0.00 O ATOM 0 H GLU A 941 -4.449 9.079 -2.725 1.00 0.00 H new ATOM 0 HA GLU A 941 -5.567 7.069 -1.030 1.00 0.00 H new ATOM 0 HB2 GLU A 941 -5.819 7.290 -3.545 1.00 0.00 H new ATOM 0 HB3 GLU A 941 -4.148 6.787 -3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 941 -5.852 4.956 -4.027 1.00 0.00 H new ATOM 0 HG3 GLU A 941 -4.602 4.609 -2.849 1.00 0.00 H new ATOM 973 N LYS A 942 -2.317 7.157 -1.452 1.00 0.00 N ATOM 974 CA LYS A 942 -1.051 6.620 -0.969 1.00 0.00 C ATOM 975 C LYS A 942 -0.935 6.776 0.544 1.00 0.00 C ATOM 976 O LYS A 942 -0.670 5.810 1.258 1.00 0.00 O ATOM 977 CB LYS A 942 0.121 7.324 -1.656 1.00 0.00 C ATOM 978 CG LYS A 942 0.392 6.822 -3.064 1.00 0.00 C ATOM 979 CD LYS A 942 1.704 7.363 -3.606 1.00 0.00 C ATOM 980 CE LYS A 942 2.005 6.811 -4.990 1.00 0.00 C ATOM 981 NZ LYS A 942 3.233 7.417 -5.575 1.00 0.00 N ATOM 0 H LYS A 942 -2.225 7.974 -2.056 1.00 0.00 H new ATOM 0 HA LYS A 942 -1.021 5.557 -1.210 1.00 0.00 H new ATOM 0 HB2 LYS A 942 -0.081 8.394 -1.694 1.00 0.00 H new ATOM 0 HB3 LYS A 942 1.019 7.190 -1.052 1.00 0.00 H new ATOM 0 HG2 LYS A 942 0.419 5.732 -3.064 1.00 0.00 H new ATOM 0 HG3 LYS A 942 -0.425 7.120 -3.721 1.00 0.00 H new ATOM 0 HD2 LYS A 942 1.660 8.451 -3.649 1.00 0.00 H new ATOM 0 HD3 LYS A 942 2.515 7.103 -2.925 1.00 0.00 H new ATOM 0 HE2 LYS A 942 2.127 5.729 -4.931 1.00 0.00 H new ATOM 0 HE3 LYS A 942 1.157 7.001 -5.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 942 3.422 6.990 -6.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 942 3.095 8.442 -5.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 942 4.041 7.244 -4.943 1.00 0.00 H new ATOM 995 N GLU A 943 -1.138 7.999 1.025 1.00 0.00 N ATOM 996 CA GLU A 943 -1.057 8.280 2.454 1.00 0.00 C ATOM 997 C GLU A 943 -2.059 7.433 3.233 1.00 0.00 C ATOM 998 O GLU A 943 -1.693 6.721 4.168 1.00 0.00 O ATOM 999 CB GLU A 943 -1.314 9.765 2.719 1.00 0.00 C ATOM 1000 CG GLU A 943 -0.672 10.275 3.999 1.00 0.00 C ATOM 1001 CD GLU A 943 -1.425 11.444 4.604 1.00 0.00 C ATOM 1002 OE1 GLU A 943 -1.318 12.563 4.062 1.00 0.00 O ATOM 1003 OE2 GLU A 943 -2.122 11.238 5.619 1.00 0.00 O ATOM 0 H GLU A 943 -1.359 8.810 0.447 1.00 0.00 H new ATOM 0 HA GLU A 943 -0.052 8.026 2.792 1.00 0.00 H new ATOM 0 HB2 GLU A 943 -0.938 10.346 1.877 1.00 0.00 H new ATOM 0 HB3 GLU A 943 -2.389 9.936 2.769 1.00 0.00 H new ATOM 0 HG2 GLU A 943 -0.624 9.464 4.725 1.00 0.00 H new ATOM 0 HG3 GLU A 943 0.354 10.577 3.791 1.00 0.00 H new ATOM 1010 N LYS A 944 -3.326 7.516 2.841 1.00 0.00 N ATOM 1011 CA LYS A 944 -4.382 6.757 3.500 1.00 0.00 C ATOM 1012 C LYS A 944 -3.963 5.305 3.706 1.00 0.00 C ATOM 1013 O LYS A 944 -3.957 4.803 4.830 1.00 0.00 O ATOM 1014 CB LYS A 944 -5.671 6.815 2.676 1.00 0.00 C ATOM 1015 CG LYS A 944 -6.906 6.382 3.446 1.00 0.00 C ATOM 1016 CD LYS A 944 -7.033 4.869 3.491 1.00 0.00 C ATOM 1017 CE LYS A 944 -8.427 4.440 3.922 1.00 0.00 C ATOM 1018 NZ LYS A 944 -9.390 4.461 2.786 1.00 0.00 N ATOM 0 H LYS A 944 -3.646 8.102 2.070 1.00 0.00 H new ATOM 0 HA LYS A 944 -4.561 7.206 4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 944 -5.816 7.833 2.316 1.00 0.00 H new ATOM 0 HB3 LYS A 944 -5.560 6.179 1.798 1.00 0.00 H new ATOM 0 HG2 LYS A 944 -6.859 6.774 4.462 1.00 0.00 H new ATOM 0 HG3 LYS A 944 -7.794 6.809 2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 944 -6.811 4.455 2.507 1.00 0.00 H new ATOM 0 HD3 LYS A 944 -6.295 4.461 4.182 1.00 0.00 H new ATOM 0 HE2 LYS A 944 -8.384 3.436 4.343 1.00 0.00 H new ATOM 0 HE3 LYS A 944 -8.783 5.102 4.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 944 -10.328 4.162 3.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 944 -9.451 5.425 2.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 944 -9.064 3.810 2.043 1.00 0.00 H new ATOM 1032 N LEU A 945 -3.611 4.636 2.614 1.00 0.00 N ATOM 1033 CA LEU A 945 -3.187 3.241 2.674 1.00 0.00 C ATOM 1034 C LEU A 945 -2.125 3.041 3.751 1.00 0.00 C ATOM 1035 O LEU A 945 -2.265 2.184 4.624 1.00 0.00 O ATOM 1036 CB LEU A 945 -2.644 2.793 1.316 1.00 0.00 C ATOM 1037 CG LEU A 945 -3.690 2.453 0.254 1.00 0.00 C ATOM 1038 CD1 LEU A 945 -3.045 2.356 -1.119 1.00 0.00 C ATOM 1039 CD2 LEU A 945 -4.402 1.154 0.603 1.00 0.00 C ATOM 0 H LEU A 945 -3.611 5.037 1.676 1.00 0.00 H new ATOM 0 HA LEU A 945 -4.055 2.633 2.929 1.00 0.00 H new ATOM 0 HB2 LEU A 945 -2.002 3.583 0.925 1.00 0.00 H new ATOM 0 HB3 LEU A 945 -2.014 1.917 1.470 1.00 0.00 H new ATOM 0 HG LEU A 945 -4.429 3.254 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 945 -3.805 2.113 -1.862 1.00 0.00 H new ATOM 0 HD12 LEU A 945 -2.582 3.310 -1.372 1.00 0.00 H new ATOM 0 HD13 LEU A 945 -2.285 1.575 -1.109 1.00 0.00 H new ATOM 0 HD21 LEU A 945 -5.143 0.928 -0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 945 -3.675 0.343 0.656 1.00 0.00 H new ATOM 0 HD23 LEU A 945 -4.899 1.259 1.568 1.00 0.00 H new ATOM 1051 N PHE A 946 -1.064 3.838 3.684 1.00 0.00 N ATOM 1052 CA PHE A 946 0.021 3.749 4.653 1.00 0.00 C ATOM 1053 C PHE A 946 -0.520 3.783 6.080 1.00 0.00 C ATOM 1054 O PHE A 946 -0.256 2.883 6.876 1.00 0.00 O ATOM 1055 CB PHE A 946 1.014 4.895 4.445 1.00 0.00 C ATOM 1056 CG PHE A 946 1.940 5.104 5.609 1.00 0.00 C ATOM 1057 CD1 PHE A 946 2.919 4.172 5.910 1.00 0.00 C ATOM 1058 CD2 PHE A 946 1.830 6.234 6.404 1.00 0.00 C ATOM 1059 CE1 PHE A 946 3.773 4.362 6.980 1.00 0.00 C ATOM 1060 CE2 PHE A 946 2.681 6.430 7.475 1.00 0.00 C ATOM 1061 CZ PHE A 946 3.653 5.492 7.764 1.00 0.00 C ATOM 0 H PHE A 946 -0.933 4.553 2.968 1.00 0.00 H new ATOM 0 HA PHE A 946 0.534 2.800 4.500 1.00 0.00 H new ATOM 0 HB2 PHE A 946 1.606 4.695 3.552 1.00 0.00 H new ATOM 0 HB3 PHE A 946 0.461 5.816 4.261 1.00 0.00 H new ATOM 0 HD1 PHE A 946 3.016 3.285 5.301 1.00 0.00 H new ATOM 0 HD2 PHE A 946 1.071 6.970 6.184 1.00 0.00 H new ATOM 0 HE1 PHE A 946 4.533 3.628 7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 946 2.586 7.316 8.086 1.00 0.00 H new ATOM 0 HZ PHE A 946 4.318 5.642 8.602 1.00 0.00 H new ATOM 1071 N ASN A 947 -1.278 4.828 6.394 1.00 0.00 N ATOM 1072 CA ASN A 947 -1.855 4.981 7.725 1.00 0.00 C ATOM 1073 C ASN A 947 -2.503 3.680 8.189 1.00 0.00 C ATOM 1074 O ASN A 947 -2.326 3.261 9.333 1.00 0.00 O ATOM 1075 CB ASN A 947 -2.890 6.108 7.728 1.00 0.00 C ATOM 1076 CG ASN A 947 -2.252 7.479 7.610 1.00 0.00 C ATOM 1077 OD1 ASN A 947 -1.035 7.621 7.726 1.00 0.00 O ATOM 1078 ND2 ASN A 947 -3.074 8.495 7.377 1.00 0.00 N ATOM 0 H ASN A 947 -1.507 5.581 5.746 1.00 0.00 H new ATOM 0 HA ASN A 947 -1.051 5.233 8.416 1.00 0.00 H new ATOM 0 HB2 ASN A 947 -3.585 5.961 6.901 1.00 0.00 H new ATOM 0 HB3 ASN A 947 -3.473 6.060 8.648 1.00 0.00 H new ATOM 0 HD21 ASN A 947 -2.703 9.441 7.287 1.00 0.00 H new ATOM 0 HD22 ASN A 947 -4.077 8.330 7.288 1.00 0.00 H new ATOM 1085 N GLU A 948 -3.253 3.046 7.293 1.00 0.00 N ATOM 1086 CA GLU A 948 -3.927 1.792 7.612 1.00 0.00 C ATOM 1087 C GLU A 948 -2.914 0.696 7.932 1.00 0.00 C ATOM 1088 O GLU A 948 -2.975 0.069 8.990 1.00 0.00 O ATOM 1089 CB GLU A 948 -4.817 1.355 6.446 1.00 0.00 C ATOM 1090 CG GLU A 948 -5.905 2.358 6.102 1.00 0.00 C ATOM 1091 CD GLU A 948 -6.892 2.560 7.235 1.00 0.00 C ATOM 1092 OE1 GLU A 948 -7.712 1.649 7.476 1.00 0.00 O ATOM 1093 OE2 GLU A 948 -6.845 3.628 7.881 1.00 0.00 O ATOM 0 H GLU A 948 -3.409 3.379 6.342 1.00 0.00 H new ATOM 0 HA GLU A 948 -4.548 1.956 8.492 1.00 0.00 H new ATOM 0 HB2 GLU A 948 -4.195 1.191 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 948 -5.280 0.399 6.692 1.00 0.00 H new ATOM 0 HG2 GLU A 948 -5.446 3.314 5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 948 -6.440 2.018 5.215 1.00 0.00 H new ATOM 1100 N HIS A 949 -1.984 0.471 7.010 1.00 0.00 N ATOM 1101 CA HIS A 949 -0.957 -0.549 7.193 1.00 0.00 C ATOM 1102 C HIS A 949 -0.380 -0.492 8.604 1.00 0.00 C ATOM 1103 O HIS A 949 -0.348 -1.498 9.313 1.00 0.00 O ATOM 1104 CB HIS A 949 0.160 -0.369 6.165 1.00 0.00 C ATOM 1105 CG HIS A 949 1.327 -1.282 6.382 1.00 0.00 C ATOM 1106 ND1 HIS A 949 1.215 -2.656 6.395 1.00 0.00 N ATOM 1107 CD2 HIS A 949 2.636 -1.010 6.595 1.00 0.00 C ATOM 1108 CE1 HIS A 949 2.405 -3.190 6.608 1.00 0.00 C ATOM 1109 NE2 HIS A 949 3.284 -2.213 6.732 1.00 0.00 N ATOM 0 H HIS A 949 -1.920 0.981 6.129 1.00 0.00 H new ATOM 0 HA HIS A 949 -1.420 -1.525 7.048 1.00 0.00 H new ATOM 0 HB2 HIS A 949 -0.244 -0.541 5.167 1.00 0.00 H new ATOM 0 HB3 HIS A 949 0.507 0.664 6.195 1.00 0.00 H new ATOM 0 HD2 HIS A 949 3.087 -0.030 6.647 1.00 0.00 H new ATOM 0 HE1 HIS A 949 2.622 -4.246 6.670 1.00 0.00 H new ATOM 0 HE2 HIS A 949 4.283 -2.332 6.902 1.00 0.00 H new ATOM 1117 N ILE A 950 0.076 0.690 9.004 1.00 0.00 N ATOM 1118 CA ILE A 950 0.651 0.878 10.330 1.00 0.00 C ATOM 1119 C ILE A 950 -0.357 0.531 11.421 1.00 0.00 C ATOM 1120 O ILE A 950 -0.084 -0.294 12.292 1.00 0.00 O ATOM 1121 CB ILE A 950 1.134 2.326 10.535 1.00 0.00 C ATOM 1122 CG1 ILE A 950 2.071 2.739 9.398 1.00 0.00 C ATOM 1123 CG2 ILE A 950 1.831 2.466 11.880 1.00 0.00 C ATOM 1124 CD1 ILE A 950 3.223 1.783 9.186 1.00 0.00 C ATOM 0 H ILE A 950 0.058 1.532 8.429 1.00 0.00 H new ATOM 0 HA ILE A 950 1.506 0.205 10.401 1.00 0.00 H new ATOM 0 HB ILE A 950 0.268 2.988 10.526 1.00 0.00 H new ATOM 0 HG12 ILE A 950 1.497 2.814 8.474 1.00 0.00 H new ATOM 0 HG13 ILE A 950 2.468 3.732 9.608 1.00 0.00 H new ATOM 0 HG21 ILE A 950 2.167 3.495 12.010 1.00 0.00 H new ATOM 0 HG22 ILE A 950 1.136 2.207 12.679 1.00 0.00 H new ATOM 0 HG23 ILE A 950 2.690 1.797 11.916 1.00 0.00 H new ATOM 0 HD11 ILE A 950 3.845 2.139 8.365 1.00 0.00 H new ATOM 0 HD12 ILE A 950 3.821 1.726 10.096 1.00 0.00 H new ATOM 0 HD13 ILE A 950 2.835 0.793 8.944 1.00 0.00 H new ATOM 1136 N GLU A 951 -1.523 1.166 11.365 1.00 0.00 N ATOM 1137 CA GLU A 951 -2.573 0.923 12.348 1.00 0.00 C ATOM 1138 C GLU A 951 -2.944 -0.556 12.394 1.00 0.00 C ATOM 1139 O GLU A 951 -3.566 -1.022 13.348 1.00 0.00 O ATOM 1140 CB GLU A 951 -3.811 1.761 12.022 1.00 0.00 C ATOM 1141 CG GLU A 951 -3.633 3.244 12.299 1.00 0.00 C ATOM 1142 CD GLU A 951 -3.851 3.596 13.758 1.00 0.00 C ATOM 1143 OE1 GLU A 951 -4.824 3.085 14.351 1.00 0.00 O ATOM 1144 OE2 GLU A 951 -3.050 4.382 14.306 1.00 0.00 O ATOM 0 H GLU A 951 -1.765 1.852 10.650 1.00 0.00 H new ATOM 0 HA GLU A 951 -2.193 1.215 13.327 1.00 0.00 H new ATOM 0 HB2 GLU A 951 -4.065 1.624 10.971 1.00 0.00 H new ATOM 0 HB3 GLU A 951 -4.654 1.390 12.605 1.00 0.00 H new ATOM 0 HG2 GLU A 951 -2.629 3.547 12.002 1.00 0.00 H new ATOM 0 HG3 GLU A 951 -4.332 3.811 11.684 1.00 0.00 H new ATOM 1151 N ALA A 952 -2.558 -1.289 11.355 1.00 0.00 N ATOM 1152 CA ALA A 952 -2.848 -2.716 11.277 1.00 0.00 C ATOM 1153 C ALA A 952 -1.749 -3.537 11.944 1.00 0.00 C ATOM 1154 O ALA A 952 -2.019 -4.570 12.558 1.00 0.00 O ATOM 1155 CB ALA A 952 -3.019 -3.141 9.826 1.00 0.00 C ATOM 0 H ALA A 952 -2.044 -0.919 10.556 1.00 0.00 H new ATOM 0 HA ALA A 952 -3.780 -2.902 11.811 1.00 0.00 H new ATOM 0 HB1 ALA A 952 -3.235 -4.208 9.783 1.00 0.00 H new ATOM 0 HB2 ALA A 952 -3.843 -2.585 9.379 1.00 0.00 H new ATOM 0 HB3 ALA A 952 -2.101 -2.934 9.276 1.00 0.00 H new ATOM 1161 N LEU A 953 -0.511 -3.072 11.819 1.00 0.00 N ATOM 1162 CA LEU A 953 0.629 -3.764 12.409 1.00 0.00 C ATOM 1163 C LEU A 953 0.736 -3.463 13.901 1.00 0.00 C ATOM 1164 O LEU A 953 1.522 -4.085 14.617 1.00 0.00 O ATOM 1165 CB LEU A 953 1.922 -3.355 11.701 1.00 0.00 C ATOM 1166 CG LEU A 953 1.954 -3.568 10.187 1.00 0.00 C ATOM 1167 CD1 LEU A 953 3.055 -2.731 9.554 1.00 0.00 C ATOM 1168 CD2 LEU A 953 2.147 -5.042 9.860 1.00 0.00 C ATOM 0 H LEU A 953 -0.271 -2.219 11.314 1.00 0.00 H new ATOM 0 HA LEU A 953 0.477 -4.836 12.283 1.00 0.00 H new ATOM 0 HB2 LEU A 953 2.105 -2.300 11.903 1.00 0.00 H new ATOM 0 HB3 LEU A 953 2.747 -3.913 12.144 1.00 0.00 H new ATOM 0 HG LEU A 953 0.998 -3.247 9.773 1.00 0.00 H new ATOM 0 HD11 LEU A 953 3.063 -2.895 8.476 1.00 0.00 H new ATOM 0 HD12 LEU A 953 2.873 -1.676 9.759 1.00 0.00 H new ATOM 0 HD13 LEU A 953 4.019 -3.021 9.972 1.00 0.00 H new ATOM 0 HD21 LEU A 953 2.167 -5.175 8.778 1.00 0.00 H new ATOM 0 HD22 LEU A 953 3.088 -5.389 10.286 1.00 0.00 H new ATOM 0 HD23 LEU A 953 1.324 -5.619 10.281 1.00 0.00 H new ATOM 1180 N THR A 954 -0.062 -2.506 14.365 1.00 0.00 N ATOM 1181 CA THR A 954 -0.058 -2.123 15.771 1.00 0.00 C ATOM 1182 C THR A 954 -1.031 -2.978 16.576 1.00 0.00 C ATOM 1183 O THR A 954 -0.666 -3.553 17.602 1.00 0.00 O ATOM 1184 CB THR A 954 -0.428 -0.638 15.950 1.00 0.00 C ATOM 1185 OG1 THR A 954 -1.601 -0.331 15.189 1.00 0.00 O ATOM 1186 CG2 THR A 954 0.718 0.261 15.511 1.00 0.00 C ATOM 0 H THR A 954 -0.719 -1.982 13.787 1.00 0.00 H new ATOM 0 HA THR A 954 0.955 -2.284 16.140 1.00 0.00 H new ATOM 0 HB THR A 954 -0.625 -0.459 17.007 1.00 0.00 H new ATOM 0 HG1 THR A 954 -1.923 0.563 15.430 1.00 0.00 H new ATOM 0 HG21 THR A 954 0.434 1.305 15.646 1.00 0.00 H new ATOM 0 HG22 THR A 954 1.601 0.044 16.112 1.00 0.00 H new ATOM 0 HG23 THR A 954 0.941 0.079 14.460 1.00 0.00 H new