USER MOD reduce.3.24.130724 H: found=0, std=0, add=286, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 287 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 307 TYR OH : rot 30:sc= -0.222 USER MOD Set 1.2: A 339 GLN : amide:sc= -0.291 K(o=-0.51,f=-2!) USER MOD Single : A 293 SER OG : rot 180:sc= -0.176 USER MOD Single : A 294 GLN : amide:sc= -0.299 K(o=-0.3,f=-3!) USER MOD Single : A 306 GLN : amide:sc= -0.244 X(o=-0.24,f=0) USER MOD Single : A 310 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 320 THR OG1 : rot -34:sc= 0.541 USER MOD Single : A 323 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 325 THR OG1 : rot 180:sc= 0 USER MOD Single : A 329 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 334 GLN : amide:sc= -6.85! C(o=-6.8!,f=-7.9!) USER MOD Single : A 336 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 337 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.013) USER MOD ----------------------------------------------------------------- ATOM 133 N PRO A 287 10.701 2.020 -0.663 1.00 0.00 N ATOM 134 CA PRO A 287 9.983 0.802 -0.213 1.00 0.00 C ATOM 135 C PRO A 287 10.216 -0.359 -1.183 1.00 0.00 C ATOM 136 O PRO A 287 10.257 -0.178 -2.385 1.00 0.00 O ATOM 137 CB PRO A 287 8.518 1.227 -0.220 1.00 0.00 C ATOM 138 CG PRO A 287 8.444 2.351 -1.206 1.00 0.00 C ATOM 139 CD PRO A 287 9.789 3.030 -1.211 1.00 0.00 C ATOM 0 HA PRO A 287 10.319 0.449 0.762 1.00 0.00 H new ATOM 0 HB2 PRO A 287 7.869 0.402 -0.513 1.00 0.00 H new ATOM 0 HB3 PRO A 287 8.196 1.549 0.770 1.00 0.00 H new ATOM 0 HG2 PRO A 287 8.199 1.975 -2.200 1.00 0.00 H new ATOM 0 HG3 PRO A 287 7.659 3.055 -0.929 1.00 0.00 H new ATOM 0 HD2 PRO A 287 10.082 3.327 -2.218 1.00 0.00 H new ATOM 0 HD3 PRO A 287 9.782 3.934 -0.601 1.00 0.00 H new ATOM 147 N GLU A 288 10.361 -1.551 -0.672 1.00 0.00 N ATOM 148 CA GLU A 288 10.583 -2.725 -1.566 1.00 0.00 C ATOM 149 C GLU A 288 9.238 -3.353 -1.947 1.00 0.00 C ATOM 150 O GLU A 288 8.996 -3.681 -3.092 1.00 0.00 O ATOM 151 CB GLU A 288 11.418 -3.701 -0.737 1.00 0.00 C ATOM 152 CG GLU A 288 12.592 -4.209 -1.576 1.00 0.00 C ATOM 153 CD GLU A 288 12.073 -5.157 -2.658 1.00 0.00 C ATOM 154 OE1 GLU A 288 10.892 -5.462 -2.636 1.00 0.00 O ATOM 155 OE2 GLU A 288 12.866 -5.563 -3.492 1.00 0.00 O ATOM 0 H GLU A 288 10.336 -1.764 0.325 1.00 0.00 H new ATOM 0 HA GLU A 288 11.083 -2.453 -2.496 1.00 0.00 H new ATOM 0 HB2 GLU A 288 11.787 -3.208 0.162 1.00 0.00 H new ATOM 0 HB3 GLU A 288 10.801 -4.538 -0.411 1.00 0.00 H new ATOM 0 HG2 GLU A 288 13.116 -3.370 -2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 288 13.311 -4.725 -0.940 1.00 0.00 H new ATOM 162 N ARG A 289 8.364 -3.519 -0.994 1.00 0.00 N ATOM 163 CA ARG A 289 7.032 -4.121 -1.292 1.00 0.00 C ATOM 164 C ARG A 289 6.137 -4.035 -0.054 1.00 0.00 C ATOM 165 O ARG A 289 6.553 -3.572 0.989 1.00 0.00 O ATOM 166 CB ARG A 289 7.321 -5.578 -1.648 1.00 0.00 C ATOM 167 CG ARG A 289 7.987 -6.274 -0.460 1.00 0.00 C ATOM 168 CD ARG A 289 8.822 -7.453 -0.965 1.00 0.00 C ATOM 169 NE ARG A 289 9.880 -7.641 0.064 1.00 0.00 N ATOM 170 CZ ARG A 289 9.848 -8.682 0.851 1.00 0.00 C ATOM 171 NH1 ARG A 289 9.662 -9.873 0.351 1.00 0.00 N ATOM 172 NH2 ARG A 289 10.002 -8.531 2.137 1.00 0.00 N ATOM 0 H ARG A 289 8.514 -3.263 -0.018 1.00 0.00 H new ATOM 0 HA ARG A 289 6.514 -3.606 -2.101 1.00 0.00 H new ATOM 0 HB2 ARG A 289 6.395 -6.090 -1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 289 7.970 -5.627 -2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 289 8.621 -5.570 0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 289 7.230 -6.624 0.242 1.00 0.00 H new ATOM 0 HD2 ARG A 289 8.213 -8.350 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 289 9.255 -7.241 -1.943 1.00 0.00 H new ATOM 0 HE ARG A 289 10.631 -6.956 0.155 1.00 0.00 H new ATOM 0 HH11 ARG A 289 9.542 -9.991 -0.655 1.00 0.00 H new ATOM 0 HH12 ARG A 289 9.637 -10.686 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 289 10.147 -7.600 2.527 1.00 0.00 H new ATOM 0 HH22 ARG A 289 9.977 -9.344 2.753 1.00 0.00 H new ATOM 186 N ILE A 290 4.912 -4.471 -0.157 1.00 0.00 N ATOM 187 CA ILE A 290 4.005 -4.401 1.025 1.00 0.00 C ATOM 188 C ILE A 290 3.979 -5.737 1.768 1.00 0.00 C ATOM 189 O ILE A 290 4.156 -6.789 1.188 1.00 0.00 O ATOM 190 CB ILE A 290 2.614 -4.100 0.469 1.00 0.00 C ATOM 191 CG1 ILE A 290 2.708 -3.074 -0.663 1.00 0.00 C ATOM 192 CG2 ILE A 290 1.738 -3.538 1.589 1.00 0.00 C ATOM 193 CD1 ILE A 290 3.292 -1.772 -0.126 1.00 0.00 C ATOM 0 H ILE A 290 4.501 -4.870 -1.001 1.00 0.00 H new ATOM 0 HA ILE A 290 4.341 -3.640 1.730 1.00 0.00 H new ATOM 0 HB ILE A 290 2.178 -5.020 0.079 1.00 0.00 H new ATOM 0 HG12 ILE A 290 3.334 -3.461 -1.467 1.00 0.00 H new ATOM 0 HG13 ILE A 290 1.720 -2.894 -1.087 1.00 0.00 H new ATOM 0 HG21 ILE A 290 0.744 -3.321 1.199 1.00 0.00 H new ATOM 0 HG22 ILE A 290 1.661 -4.270 2.393 1.00 0.00 H new ATOM 0 HG23 ILE A 290 2.184 -2.622 1.975 1.00 0.00 H new ATOM 0 HD11 ILE A 290 3.358 -1.043 -0.933 1.00 0.00 H new ATOM 0 HD12 ILE A 290 2.648 -1.383 0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 290 4.287 -1.959 0.277 1.00 0.00 H new ATOM 205 N ILE A 291 3.737 -5.698 3.047 1.00 0.00 N ATOM 206 CA ILE A 291 3.671 -6.959 3.841 1.00 0.00 C ATOM 207 C ILE A 291 2.291 -7.072 4.480 1.00 0.00 C ATOM 208 O ILE A 291 1.741 -8.145 4.620 1.00 0.00 O ATOM 209 CB ILE A 291 4.752 -6.854 4.928 1.00 0.00 C ATOM 210 CG1 ILE A 291 5.097 -5.383 5.220 1.00 0.00 C ATOM 211 CG2 ILE A 291 6.003 -7.593 4.464 1.00 0.00 C ATOM 212 CD1 ILE A 291 6.002 -4.823 4.117 1.00 0.00 C ATOM 0 H ILE A 291 3.581 -4.843 3.581 1.00 0.00 H new ATOM 0 HA ILE A 291 3.836 -7.839 3.219 1.00 0.00 H new ATOM 0 HB ILE A 291 4.372 -7.304 5.845 1.00 0.00 H new ATOM 0 HG12 ILE A 291 4.183 -4.793 5.285 1.00 0.00 H new ATOM 0 HG13 ILE A 291 5.596 -5.304 6.186 1.00 0.00 H new ATOM 0 HG21 ILE A 291 6.773 -7.522 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 291 5.762 -8.641 4.288 1.00 0.00 H new ATOM 0 HG23 ILE A 291 6.369 -7.145 3.540 1.00 0.00 H new ATOM 0 HD11 ILE A 291 6.239 -3.782 4.335 1.00 0.00 H new ATOM 0 HD12 ILE A 291 6.924 -5.403 4.073 1.00 0.00 H new ATOM 0 HD13 ILE A 291 5.488 -4.885 3.158 1.00 0.00 H new ATOM 224 N ASP A 292 1.727 -5.961 4.857 1.00 0.00 N ATOM 225 CA ASP A 292 0.378 -5.984 5.478 1.00 0.00 C ATOM 226 C ASP A 292 -0.302 -4.623 5.292 1.00 0.00 C ATOM 227 O ASP A 292 0.328 -3.652 4.920 1.00 0.00 O ATOM 228 CB ASP A 292 0.624 -6.264 6.960 1.00 0.00 C ATOM 229 CG ASP A 292 -0.705 -6.582 7.649 1.00 0.00 C ATOM 230 OD1 ASP A 292 -1.678 -6.794 6.944 1.00 0.00 O ATOM 231 OD2 ASP A 292 -0.727 -6.609 8.868 1.00 0.00 O ATOM 0 H ASP A 292 2.144 -5.035 4.761 1.00 0.00 H new ATOM 0 HA ASP A 292 -0.274 -6.734 5.030 1.00 0.00 H new ATOM 0 HB2 ASP A 292 1.313 -7.101 7.073 1.00 0.00 H new ATOM 0 HB3 ASP A 292 1.092 -5.400 7.431 1.00 0.00 H new ATOM 236 N SER A 293 -1.580 -4.539 5.546 1.00 0.00 N ATOM 237 CA SER A 293 -2.284 -3.233 5.381 1.00 0.00 C ATOM 238 C SER A 293 -3.041 -2.868 6.661 1.00 0.00 C ATOM 239 O SER A 293 -3.422 -3.724 7.435 1.00 0.00 O ATOM 240 CB SER A 293 -3.260 -3.443 4.224 1.00 0.00 C ATOM 241 OG SER A 293 -3.663 -4.805 4.188 1.00 0.00 O ATOM 0 H SER A 293 -2.165 -5.313 5.859 1.00 0.00 H new ATOM 0 HA SER A 293 -1.588 -2.418 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 293 -4.130 -2.798 4.346 1.00 0.00 H new ATOM 0 HB3 SER A 293 -2.788 -3.167 3.281 1.00 0.00 H new ATOM 0 HG SER A 293 -4.290 -4.941 3.447 1.00 0.00 H new ATOM 247 N GLN A 294 -3.263 -1.601 6.890 1.00 0.00 N ATOM 248 CA GLN A 294 -3.996 -1.182 8.122 1.00 0.00 C ATOM 249 C GLN A 294 -4.994 -0.067 7.795 1.00 0.00 C ATOM 250 O GLN A 294 -4.674 1.103 7.855 1.00 0.00 O ATOM 251 CB GLN A 294 -2.913 -0.668 9.073 1.00 0.00 C ATOM 252 CG GLN A 294 -3.472 -0.613 10.496 1.00 0.00 C ATOM 253 CD GLN A 294 -2.998 -1.839 11.279 1.00 0.00 C ATOM 254 OE1 GLN A 294 -2.291 -2.674 10.753 1.00 0.00 O ATOM 255 NE2 GLN A 294 -3.360 -1.981 12.525 1.00 0.00 N ATOM 0 H GLN A 294 -2.969 -0.839 6.279 1.00 0.00 H new ATOM 0 HA GLN A 294 -4.568 -2.001 8.558 1.00 0.00 H new ATOM 0 HB2 GLN A 294 -2.042 -1.322 9.038 1.00 0.00 H new ATOM 0 HB3 GLN A 294 -2.581 0.323 8.762 1.00 0.00 H new ATOM 0 HG2 GLN A 294 -3.141 0.299 10.993 1.00 0.00 H new ATOM 0 HG3 GLN A 294 -4.561 -0.584 10.469 1.00 0.00 H new ATOM 0 HE21 GLN A 294 -3.954 -1.279 12.967 1.00 0.00 H new ATOM 0 HE22 GLN A 294 -3.049 -2.794 13.057 1.00 0.00 H new ATOM 404 N LEU A 305 -6.090 5.042 6.133 1.00 0.00 N ATOM 405 CA LEU A 305 -5.522 3.848 5.441 1.00 0.00 C ATOM 406 C LEU A 305 -3.993 3.856 5.535 1.00 0.00 C ATOM 407 O LEU A 305 -3.356 4.876 5.368 1.00 0.00 O ATOM 408 CB LEU A 305 -5.966 3.988 3.985 1.00 0.00 C ATOM 409 CG LEU A 305 -5.363 2.852 3.158 1.00 0.00 C ATOM 410 CD1 LEU A 305 -5.732 1.509 3.788 1.00 0.00 C ATOM 411 CD2 LEU A 305 -5.910 2.913 1.731 1.00 0.00 C ATOM 0 HA LEU A 305 -5.863 2.913 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 305 -7.054 3.961 3.921 1.00 0.00 H new ATOM 0 HB3 LEU A 305 -5.647 4.951 3.587 1.00 0.00 H new ATOM 0 HG LEU A 305 -4.278 2.957 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 305 -5.302 0.700 3.198 1.00 0.00 H new ATOM 0 HD12 LEU A 305 -5.341 1.464 4.805 1.00 0.00 H new ATOM 0 HD13 LEU A 305 -6.817 1.404 3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 305 -5.480 2.103 1.142 1.00 0.00 H new ATOM 0 HD22 LEU A 305 -6.995 2.810 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 305 -5.645 3.870 1.281 1.00 0.00 H new ATOM 423 N GLN A 306 -3.400 2.722 5.798 1.00 0.00 N ATOM 424 CA GLN A 306 -1.912 2.664 5.899 1.00 0.00 C ATOM 425 C GLN A 306 -1.405 1.292 5.445 1.00 0.00 C ATOM 426 O GLN A 306 -1.949 0.267 5.805 1.00 0.00 O ATOM 427 CB GLN A 306 -1.604 2.888 7.381 1.00 0.00 C ATOM 428 CG GLN A 306 -1.489 4.388 7.658 1.00 0.00 C ATOM 429 CD GLN A 306 -0.550 4.617 8.844 1.00 0.00 C ATOM 430 OE1 GLN A 306 -0.944 4.465 9.983 1.00 0.00 O ATOM 431 NE2 GLN A 306 0.684 4.979 8.623 1.00 0.00 N ATOM 0 H GLN A 306 -3.880 1.835 5.947 1.00 0.00 H new ATOM 0 HA GLN A 306 -1.426 3.407 5.267 1.00 0.00 H new ATOM 0 HB2 GLN A 306 -2.391 2.453 7.997 1.00 0.00 H new ATOM 0 HB3 GLN A 306 -0.675 2.386 7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 306 -1.110 4.904 6.776 1.00 0.00 H new ATOM 0 HG3 GLN A 306 -2.473 4.805 7.873 1.00 0.00 H new ATOM 0 HE21 GLN A 306 1.015 5.107 7.667 1.00 0.00 H new ATOM 0 HE22 GLN A 306 1.318 5.134 9.407 1.00 0.00 H new ATOM 440 N TYR A 307 -0.365 1.267 4.656 1.00 0.00 N ATOM 441 CA TYR A 307 0.180 -0.037 4.176 1.00 0.00 C ATOM 442 C TYR A 307 1.563 -0.294 4.781 1.00 0.00 C ATOM 443 O TYR A 307 2.439 0.546 4.728 1.00 0.00 O ATOM 444 CB TYR A 307 0.298 0.119 2.657 1.00 0.00 C ATOM 445 CG TYR A 307 -0.956 -0.385 1.974 1.00 0.00 C ATOM 446 CD1 TYR A 307 -2.132 -0.600 2.706 1.00 0.00 C ATOM 447 CD2 TYR A 307 -0.936 -0.640 0.596 1.00 0.00 C ATOM 448 CE1 TYR A 307 -3.282 -1.069 2.060 1.00 0.00 C ATOM 449 CE2 TYR A 307 -2.087 -1.107 -0.048 1.00 0.00 C ATOM 450 CZ TYR A 307 -3.260 -1.322 0.683 1.00 0.00 C ATOM 451 OH TYR A 307 -4.395 -1.783 0.049 1.00 0.00 O ATOM 0 H TYR A 307 0.132 2.093 4.323 1.00 0.00 H new ATOM 0 HA TYR A 307 -0.457 -0.874 4.461 1.00 0.00 H new ATOM 0 HB2 TYR A 307 0.461 1.167 2.405 1.00 0.00 H new ATOM 0 HB3 TYR A 307 1.164 -0.435 2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 307 -2.151 -0.404 3.768 1.00 0.00 H new ATOM 0 HD2 TYR A 307 -0.031 -0.476 0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 307 -4.187 -1.236 2.625 1.00 0.00 H new ATOM 0 HE2 TYR A 307 -2.070 -1.302 -1.110 1.00 0.00 H new ATOM 0 HH TYR A 307 -5.189 -1.445 0.513 1.00 0.00 H new ATOM 461 N LEU A 308 1.771 -1.455 5.340 1.00 0.00 N ATOM 462 CA LEU A 308 3.105 -1.767 5.926 1.00 0.00 C ATOM 463 C LEU A 308 4.107 -1.997 4.792 1.00 0.00 C ATOM 464 O LEU A 308 3.845 -2.740 3.868 1.00 0.00 O ATOM 465 CB LEU A 308 2.894 -3.049 6.735 1.00 0.00 C ATOM 466 CG LEU A 308 4.167 -3.378 7.518 1.00 0.00 C ATOM 467 CD1 LEU A 308 4.346 -2.364 8.648 1.00 0.00 C ATOM 468 CD2 LEU A 308 4.052 -4.784 8.112 1.00 0.00 C ATOM 0 H LEU A 308 1.077 -2.199 5.416 1.00 0.00 H new ATOM 0 HA LEU A 308 3.496 -0.964 6.551 1.00 0.00 H new ATOM 0 HB2 LEU A 308 2.056 -2.925 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 308 2.641 -3.874 6.069 1.00 0.00 H new ATOM 0 HG LEU A 308 5.026 -3.334 6.849 1.00 0.00 H new ATOM 0 HD11 LEU A 308 5.253 -2.598 9.206 1.00 0.00 H new ATOM 0 HD12 LEU A 308 4.427 -1.361 8.228 1.00 0.00 H new ATOM 0 HD13 LEU A 308 3.486 -2.409 9.317 1.00 0.00 H new ATOM 0 HD21 LEU A 308 4.959 -5.019 8.670 1.00 0.00 H new ATOM 0 HD22 LEU A 308 3.193 -4.827 8.781 1.00 0.00 H new ATOM 0 HD23 LEU A 308 3.923 -5.509 7.308 1.00 0.00 H new ATOM 480 N VAL A 309 5.244 -1.356 4.838 1.00 0.00 N ATOM 481 CA VAL A 309 6.236 -1.542 3.739 1.00 0.00 C ATOM 482 C VAL A 309 7.584 -2.016 4.286 1.00 0.00 C ATOM 483 O VAL A 309 7.929 -1.771 5.426 1.00 0.00 O ATOM 484 CB VAL A 309 6.391 -0.163 3.100 1.00 0.00 C ATOM 485 CG1 VAL A 309 7.096 -0.310 1.751 1.00 0.00 C ATOM 486 CG2 VAL A 309 5.012 0.465 2.885 1.00 0.00 C ATOM 0 H VAL A 309 5.527 -0.717 5.581 1.00 0.00 H new ATOM 0 HA VAL A 309 5.902 -2.297 3.028 1.00 0.00 H new ATOM 0 HB VAL A 309 6.980 0.477 3.757 1.00 0.00 H new ATOM 0 HG11 VAL A 309 7.209 0.672 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 309 8.079 -0.756 1.901 1.00 0.00 H new ATOM 0 HG13 VAL A 309 6.503 -0.951 1.098 1.00 0.00 H new ATOM 0 HG21 VAL A 309 5.127 1.448 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 309 4.420 -0.173 2.228 1.00 0.00 H new ATOM 0 HG23 VAL A 309 4.505 0.567 3.845 1.00 0.00 H new ATOM 496 N LYS A 310 8.352 -2.682 3.468 1.00 0.00 N ATOM 497 CA LYS A 310 9.688 -3.165 3.914 1.00 0.00 C ATOM 498 C LYS A 310 10.785 -2.378 3.191 1.00 0.00 C ATOM 499 O LYS A 310 11.251 -2.766 2.138 1.00 0.00 O ATOM 500 CB LYS A 310 9.732 -4.643 3.522 1.00 0.00 C ATOM 501 CG LYS A 310 9.108 -5.487 4.635 1.00 0.00 C ATOM 502 CD LYS A 310 10.128 -6.510 5.141 1.00 0.00 C ATOM 503 CE LYS A 310 9.456 -7.436 6.157 1.00 0.00 C ATOM 504 NZ LYS A 310 10.502 -8.432 6.524 1.00 0.00 N ATOM 0 H LYS A 310 8.109 -2.913 2.505 1.00 0.00 H new ATOM 0 HA LYS A 310 9.846 -3.032 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 310 9.192 -4.798 2.588 1.00 0.00 H new ATOM 0 HB3 LYS A 310 10.763 -4.954 3.350 1.00 0.00 H new ATOM 0 HG2 LYS A 310 8.786 -4.845 5.454 1.00 0.00 H new ATOM 0 HG3 LYS A 310 8.220 -5.998 4.263 1.00 0.00 H new ATOM 0 HD2 LYS A 310 10.521 -7.091 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 310 10.974 -6.000 5.601 1.00 0.00 H new ATOM 0 HE2 LYS A 310 9.115 -6.881 7.031 1.00 0.00 H new ATOM 0 HE3 LYS A 310 8.581 -7.923 5.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 310 10.115 -9.102 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 310 10.802 -8.950 5.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 310 11.320 -7.940 6.936 1.00 0.00 H new ATOM 681 N THR A 320 8.105 -0.740 8.409 1.00 0.00 N ATOM 682 CA THR A 320 7.178 0.019 9.297 1.00 0.00 C ATOM 683 C THR A 320 5.837 0.246 8.598 1.00 0.00 C ATOM 684 O THR A 320 5.543 -0.356 7.586 1.00 0.00 O ATOM 685 CB THR A 320 7.876 1.354 9.558 1.00 0.00 C ATOM 686 OG1 THR A 320 8.375 1.873 8.334 1.00 0.00 O ATOM 687 CG2 THR A 320 9.032 1.147 10.538 1.00 0.00 C ATOM 0 HA THR A 320 6.967 -0.518 10.222 1.00 0.00 H new ATOM 0 HB THR A 320 7.163 2.058 9.987 1.00 0.00 H new ATOM 0 HG1 THR A 320 8.658 1.134 7.756 1.00 0.00 H new ATOM 0 HG21 THR A 320 9.528 2.100 10.722 1.00 0.00 H new ATOM 0 HG22 THR A 320 8.646 0.751 11.477 1.00 0.00 H new ATOM 0 HG23 THR A 320 9.747 0.442 10.114 1.00 0.00 H new ATOM 695 N TRP A 321 5.022 1.111 9.137 1.00 0.00 N ATOM 696 CA TRP A 321 3.696 1.375 8.512 1.00 0.00 C ATOM 697 C TRP A 321 3.677 2.752 7.843 1.00 0.00 C ATOM 698 O TRP A 321 4.221 3.712 8.355 1.00 0.00 O ATOM 699 CB TRP A 321 2.702 1.333 9.671 1.00 0.00 C ATOM 700 CG TRP A 321 2.236 -0.070 9.870 1.00 0.00 C ATOM 701 CD1 TRP A 321 2.599 -0.869 10.899 1.00 0.00 C ATOM 702 CD2 TRP A 321 1.333 -0.856 9.039 1.00 0.00 C ATOM 703 NE1 TRP A 321 1.974 -2.094 10.755 1.00 0.00 N ATOM 704 CE2 TRP A 321 1.183 -2.135 9.623 1.00 0.00 C ATOM 705 CE3 TRP A 321 0.635 -0.584 7.847 1.00 0.00 C ATOM 706 CZ2 TRP A 321 0.371 -3.111 9.047 1.00 0.00 C ATOM 707 CZ3 TRP A 321 -0.183 -1.565 7.266 1.00 0.00 C ATOM 708 CH2 TRP A 321 -0.315 -2.825 7.864 1.00 0.00 C ATOM 0 H TRP A 321 5.217 1.646 9.983 1.00 0.00 H new ATOM 0 HA TRP A 321 3.458 0.648 7.736 1.00 0.00 H new ATOM 0 HB2 TRP A 321 3.172 1.705 10.582 1.00 0.00 H new ATOM 0 HB3 TRP A 321 1.853 1.984 9.461 1.00 0.00 H new ATOM 0 HD1 TRP A 321 3.268 -0.595 11.702 1.00 0.00 H new ATOM 0 HE1 TRP A 321 2.084 -2.872 11.405 1.00 0.00 H new ATOM 0 HE3 TRP A 321 0.730 0.384 7.378 1.00 0.00 H new ATOM 0 HZ2 TRP A 321 0.273 -4.081 9.512 1.00 0.00 H new ATOM 0 HZ3 TRP A 321 -0.715 -1.347 6.351 1.00 0.00 H new ATOM 0 HH2 TRP A 321 -0.947 -3.575 7.411 1.00 0.00 H new ATOM 719 N GLU A 322 3.048 2.853 6.705 1.00 0.00 N ATOM 720 CA GLU A 322 2.976 4.163 5.997 1.00 0.00 C ATOM 721 C GLU A 322 1.607 4.314 5.332 1.00 0.00 C ATOM 722 O GLU A 322 0.868 3.358 5.196 1.00 0.00 O ATOM 723 CB GLU A 322 4.087 4.111 4.949 1.00 0.00 C ATOM 724 CG GLU A 322 5.402 4.571 5.581 1.00 0.00 C ATOM 725 CD GLU A 322 6.192 5.405 4.572 1.00 0.00 C ATOM 726 OE1 GLU A 322 5.707 5.576 3.465 1.00 0.00 O ATOM 727 OE2 GLU A 322 7.269 5.858 4.923 1.00 0.00 O ATOM 0 H GLU A 322 2.578 2.081 6.232 1.00 0.00 H new ATOM 0 HA GLU A 322 3.101 5.011 6.670 1.00 0.00 H new ATOM 0 HB2 GLU A 322 4.191 3.097 4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 322 3.834 4.750 4.103 1.00 0.00 H new ATOM 0 HG2 GLU A 322 5.201 5.160 6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 322 5.989 3.707 5.893 1.00 0.00 H new ATOM 734 N ASN A 323 1.257 5.498 4.914 1.00 0.00 N ATOM 735 CA ASN A 323 -0.066 5.690 4.263 1.00 0.00 C ATOM 736 C ASN A 323 -0.122 4.887 2.964 1.00 0.00 C ATOM 737 O ASN A 323 0.761 4.974 2.133 1.00 0.00 O ATOM 738 CB ASN A 323 -0.152 7.190 3.977 1.00 0.00 C ATOM 739 CG ASN A 323 -0.222 7.957 5.298 1.00 0.00 C ATOM 740 OD1 ASN A 323 -1.249 7.980 5.947 1.00 0.00 O ATOM 741 ND2 ASN A 323 0.833 8.593 5.728 1.00 0.00 N ATOM 0 H ASN A 323 1.829 6.339 4.995 1.00 0.00 H new ATOM 0 HA ASN A 323 -0.894 5.351 4.886 1.00 0.00 H new ATOM 0 HB2 ASN A 323 0.717 7.512 3.403 1.00 0.00 H new ATOM 0 HB3 ASN A 323 -1.032 7.406 3.372 1.00 0.00 H new ATOM 0 HD21 ASN A 323 0.795 9.108 6.607 1.00 0.00 H new ATOM 0 HD22 ASN A 323 1.696 8.575 5.185 1.00 0.00 H new ATOM 748 N ALA A 324 -1.155 4.115 2.775 1.00 0.00 N ATOM 749 CA ALA A 324 -1.261 3.325 1.520 1.00 0.00 C ATOM 750 C ALA A 324 -1.308 4.289 0.344 1.00 0.00 C ATOM 751 O ALA A 324 -1.044 3.935 -0.785 1.00 0.00 O ATOM 752 CB ALA A 324 -2.573 2.550 1.640 1.00 0.00 C ATOM 0 H ALA A 324 -1.926 3.998 3.432 1.00 0.00 H new ATOM 0 HA ALA A 324 -0.420 2.649 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 324 -2.720 1.942 0.747 1.00 0.00 H new ATOM 0 HB2 ALA A 324 -2.535 1.904 2.517 1.00 0.00 H new ATOM 0 HB3 ALA A 324 -3.402 3.251 1.742 1.00 0.00 H new ATOM 758 N THR A 325 -1.631 5.519 0.617 1.00 0.00 N ATOM 759 CA THR A 325 -1.687 6.537 -0.462 1.00 0.00 C ATOM 760 C THR A 325 -0.264 6.924 -0.859 1.00 0.00 C ATOM 761 O THR A 325 0.080 6.971 -2.023 1.00 0.00 O ATOM 762 CB THR A 325 -2.440 7.710 0.171 1.00 0.00 C ATOM 763 OG1 THR A 325 -3.833 7.554 -0.064 1.00 0.00 O ATOM 764 CG2 THR A 325 -1.969 9.034 -0.426 1.00 0.00 C ATOM 0 H THR A 325 -1.860 5.865 1.549 1.00 0.00 H new ATOM 0 HA THR A 325 -2.180 6.192 -1.371 1.00 0.00 H new ATOM 0 HB THR A 325 -2.241 7.720 1.243 1.00 0.00 H new ATOM 0 HG1 THR A 325 -4.319 8.302 0.341 1.00 0.00 H new ATOM 0 HG21 THR A 325 -2.515 9.856 0.036 1.00 0.00 H new ATOM 0 HG22 THR A 325 -0.902 9.158 -0.241 1.00 0.00 H new ATOM 0 HG23 THR A 325 -2.153 9.035 -1.500 1.00 0.00 H new ATOM 772 N ASP A 326 0.570 7.189 0.106 1.00 0.00 N ATOM 773 CA ASP A 326 1.974 7.555 -0.210 1.00 0.00 C ATOM 774 C ASP A 326 2.650 6.388 -0.927 1.00 0.00 C ATOM 775 O ASP A 326 3.184 6.538 -2.005 1.00 0.00 O ATOM 776 CB ASP A 326 2.638 7.818 1.141 1.00 0.00 C ATOM 777 CG ASP A 326 2.671 9.322 1.412 1.00 0.00 C ATOM 778 OD1 ASP A 326 2.321 10.073 0.516 1.00 0.00 O ATOM 779 OD2 ASP A 326 3.045 9.699 2.510 1.00 0.00 O ATOM 0 H ASP A 326 0.339 7.168 1.099 1.00 0.00 H new ATOM 0 HA ASP A 326 2.045 8.426 -0.862 1.00 0.00 H new ATOM 0 HB2 ASP A 326 2.089 7.308 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 326 3.651 7.415 1.144 1.00 0.00 H new ATOM 784 N ILE A 327 2.622 5.223 -0.341 1.00 0.00 N ATOM 785 CA ILE A 327 3.257 4.051 -1.004 1.00 0.00 C ATOM 786 C ILE A 327 2.621 3.830 -2.376 1.00 0.00 C ATOM 787 O ILE A 327 3.262 3.373 -3.299 1.00 0.00 O ATOM 788 CB ILE A 327 2.988 2.867 -0.073 1.00 0.00 C ATOM 789 CG1 ILE A 327 3.787 3.048 1.218 1.00 0.00 C ATOM 790 CG2 ILE A 327 3.418 1.566 -0.755 1.00 0.00 C ATOM 791 CD1 ILE A 327 5.238 3.392 0.877 1.00 0.00 C ATOM 0 H ILE A 327 2.189 5.033 0.563 1.00 0.00 H new ATOM 0 HA ILE A 327 4.326 4.189 -1.168 1.00 0.00 H new ATOM 0 HB ILE A 327 1.923 2.821 0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 327 3.347 3.841 1.822 1.00 0.00 H new ATOM 0 HG13 ILE A 327 3.749 2.135 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 327 3.225 0.725 -0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 327 2.853 1.435 -1.678 1.00 0.00 H new ATOM 0 HG23 ILE A 327 4.483 1.610 -0.984 1.00 0.00 H new ATOM 0 HD11 ILE A 327 5.807 3.521 1.798 1.00 0.00 H new ATOM 0 HD12 ILE A 327 5.675 2.584 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 327 5.267 4.316 0.300 1.00 0.00 H new ATOM 803 N VAL A 328 1.370 4.169 -2.533 1.00 0.00 N ATOM 804 CA VAL A 328 0.733 3.995 -3.867 1.00 0.00 C ATOM 805 C VAL A 328 1.497 4.855 -4.871 1.00 0.00 C ATOM 806 O VAL A 328 1.883 4.408 -5.929 1.00 0.00 O ATOM 807 CB VAL A 328 -0.710 4.485 -3.695 1.00 0.00 C ATOM 808 CG1 VAL A 328 -1.254 5.016 -5.028 1.00 0.00 C ATOM 809 CG2 VAL A 328 -1.580 3.320 -3.226 1.00 0.00 C ATOM 0 H VAL A 328 0.769 4.554 -1.805 1.00 0.00 H new ATOM 0 HA VAL A 328 0.746 2.967 -4.228 1.00 0.00 H new ATOM 0 HB VAL A 328 -0.729 5.289 -2.959 1.00 0.00 H new ATOM 0 HG11 VAL A 328 -2.279 5.360 -4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 328 -0.635 5.846 -5.369 1.00 0.00 H new ATOM 0 HG13 VAL A 328 -1.235 4.220 -5.772 1.00 0.00 H new ATOM 0 HG21 VAL A 328 -2.608 3.661 -3.101 1.00 0.00 H new ATOM 0 HG22 VAL A 328 -1.550 2.522 -3.968 1.00 0.00 H new ATOM 0 HG23 VAL A 328 -1.204 2.945 -2.274 1.00 0.00 H new ATOM 819 N LYS A 329 1.738 6.085 -4.520 1.00 0.00 N ATOM 820 CA LYS A 329 2.502 6.988 -5.428 1.00 0.00 C ATOM 821 C LYS A 329 3.996 6.685 -5.299 1.00 0.00 C ATOM 822 O LYS A 329 4.694 6.516 -6.279 1.00 0.00 O ATOM 823 CB LYS A 329 2.188 8.402 -4.938 1.00 0.00 C ATOM 824 CG LYS A 329 3.094 9.406 -5.651 1.00 0.00 C ATOM 825 CD LYS A 329 3.615 10.427 -4.638 1.00 0.00 C ATOM 826 CE LYS A 329 3.173 11.833 -5.053 1.00 0.00 C ATOM 827 NZ LYS A 329 4.430 12.539 -5.426 1.00 0.00 N ATOM 0 H LYS A 329 1.439 6.507 -3.641 1.00 0.00 H new ATOM 0 HA LYS A 329 2.234 6.863 -6.477 1.00 0.00 H new ATOM 0 HB2 LYS A 329 1.142 8.640 -5.131 1.00 0.00 H new ATOM 0 HB3 LYS A 329 2.336 8.465 -3.860 1.00 0.00 H new ATOM 0 HG2 LYS A 329 3.928 8.888 -6.124 1.00 0.00 H new ATOM 0 HG3 LYS A 329 2.542 9.912 -6.443 1.00 0.00 H new ATOM 0 HD2 LYS A 329 3.235 10.194 -3.643 1.00 0.00 H new ATOM 0 HD3 LYS A 329 4.703 10.378 -4.583 1.00 0.00 H new ATOM 0 HE2 LYS A 329 2.477 11.796 -5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 329 2.662 12.343 -4.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 329 4.208 13.511 -5.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 329 5.070 12.565 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 329 4.892 12.035 -6.210 1.00 0.00 H new ATOM 841 N LEU A 330 4.484 6.591 -4.090 1.00 0.00 N ATOM 842 CA LEU A 330 5.922 6.271 -3.885 1.00 0.00 C ATOM 843 C LEU A 330 6.228 4.929 -4.546 1.00 0.00 C ATOM 844 O LEU A 330 7.144 4.796 -5.333 1.00 0.00 O ATOM 845 CB LEU A 330 6.081 6.166 -2.369 1.00 0.00 C ATOM 846 CG LEU A 330 7.414 6.783 -1.944 1.00 0.00 C ATOM 847 CD1 LEU A 330 7.259 8.300 -1.827 1.00 0.00 C ATOM 848 CD2 LEU A 330 7.827 6.208 -0.587 1.00 0.00 C ATOM 0 H LEU A 330 3.944 6.723 -3.235 1.00 0.00 H new ATOM 0 HA LEU A 330 6.594 7.015 -4.313 1.00 0.00 H new ATOM 0 HB2 LEU A 330 5.258 6.678 -1.871 1.00 0.00 H new ATOM 0 HB3 LEU A 330 6.039 5.121 -2.061 1.00 0.00 H new ATOM 0 HG LEU A 330 8.177 6.552 -2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 330 8.209 8.741 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 330 6.960 8.711 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 330 6.498 8.532 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 330 8.777 6.645 -0.280 1.00 0.00 H new ATOM 0 HD22 LEU A 330 7.064 6.442 0.155 1.00 0.00 H new ATOM 0 HD23 LEU A 330 7.935 5.126 -0.668 1.00 0.00 H new ATOM 860 N ALA A 331 5.442 3.940 -4.230 1.00 0.00 N ATOM 861 CA ALA A 331 5.634 2.591 -4.828 1.00 0.00 C ATOM 862 C ALA A 331 4.272 2.027 -5.249 1.00 0.00 C ATOM 863 O ALA A 331 3.681 1.238 -4.538 1.00 0.00 O ATOM 864 CB ALA A 331 6.249 1.744 -3.713 1.00 0.00 C ATOM 0 H ALA A 331 4.664 4.010 -3.574 1.00 0.00 H new ATOM 0 HA ALA A 331 6.270 2.607 -5.713 1.00 0.00 H new ATOM 0 HB1 ALA A 331 6.421 0.731 -4.078 1.00 0.00 H new ATOM 0 HB2 ALA A 331 7.197 2.184 -3.403 1.00 0.00 H new ATOM 0 HB3 ALA A 331 5.568 1.712 -2.862 1.00 0.00 H new ATOM 870 N PRO A 332 3.815 2.466 -6.391 1.00 0.00 N ATOM 871 CA PRO A 332 2.498 2.014 -6.911 1.00 0.00 C ATOM 872 C PRO A 332 2.557 0.536 -7.305 1.00 0.00 C ATOM 873 O PRO A 332 1.786 -0.275 -6.831 1.00 0.00 O ATOM 874 CB PRO A 332 2.276 2.899 -8.138 1.00 0.00 C ATOM 875 CG PRO A 332 3.647 3.320 -8.559 1.00 0.00 C ATOM 876 CD PRO A 332 4.473 3.408 -7.302 1.00 0.00 C ATOM 0 HA PRO A 332 1.695 2.099 -6.179 1.00 0.00 H new ATOM 0 HB2 PRO A 332 1.769 2.353 -8.933 1.00 0.00 H new ATOM 0 HB3 PRO A 332 1.654 3.761 -7.897 1.00 0.00 H new ATOM 0 HG2 PRO A 332 4.077 2.600 -9.256 1.00 0.00 H new ATOM 0 HG3 PRO A 332 3.617 4.281 -9.072 1.00 0.00 H new ATOM 0 HD2 PRO A 332 5.511 3.131 -7.484 1.00 0.00 H new ATOM 0 HD3 PRO A 332 4.480 4.420 -6.897 1.00 0.00 H new ATOM 884 N GLU A 333 3.468 0.179 -8.168 1.00 0.00 N ATOM 885 CA GLU A 333 3.576 -1.245 -8.591 1.00 0.00 C ATOM 886 C GLU A 333 3.513 -2.164 -7.369 1.00 0.00 C ATOM 887 O GLU A 333 2.933 -3.230 -7.411 1.00 0.00 O ATOM 888 CB GLU A 333 4.939 -1.350 -9.277 1.00 0.00 C ATOM 889 CG GLU A 333 4.853 -0.728 -10.672 1.00 0.00 C ATOM 890 CD GLU A 333 6.250 -0.668 -11.289 1.00 0.00 C ATOM 891 OE1 GLU A 333 7.011 -1.598 -11.079 1.00 0.00 O ATOM 892 OE2 GLU A 333 6.537 0.309 -11.962 1.00 0.00 O ATOM 0 H GLU A 333 4.142 0.812 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 333 2.764 -1.545 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 333 5.697 -0.838 -8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 333 5.243 -2.394 -9.350 1.00 0.00 H new ATOM 0 HG2 GLU A 333 4.189 -1.317 -11.305 1.00 0.00 H new ATOM 0 HG3 GLU A 333 4.428 0.274 -10.610 1.00 0.00 H new ATOM 899 N GLN A 334 4.102 -1.756 -6.277 1.00 0.00 N ATOM 900 CA GLN A 334 4.070 -2.606 -5.053 1.00 0.00 C ATOM 901 C GLN A 334 2.663 -2.609 -4.456 1.00 0.00 C ATOM 902 O GLN A 334 2.036 -3.641 -4.325 1.00 0.00 O ATOM 903 CB GLN A 334 5.066 -1.958 -4.092 1.00 0.00 C ATOM 904 CG GLN A 334 6.492 -2.228 -4.580 1.00 0.00 C ATOM 905 CD GLN A 334 7.332 -0.958 -4.439 1.00 0.00 C ATOM 906 OE1 GLN A 334 7.713 -0.587 -3.346 1.00 0.00 O ATOM 907 NE2 GLN A 334 7.641 -0.273 -5.506 1.00 0.00 N ATOM 0 H GLN A 334 4.603 -0.873 -6.180 1.00 0.00 H new ATOM 0 HA GLN A 334 4.329 -3.644 -5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 334 4.887 -0.884 -4.034 1.00 0.00 H new ATOM 0 HB3 GLN A 334 4.932 -2.358 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 334 6.938 -3.037 -4.002 1.00 0.00 H new ATOM 0 HG3 GLN A 334 6.476 -2.552 -5.621 1.00 0.00 H new ATOM 0 HE21 GLN A 334 7.321 -0.585 -6.423 1.00 0.00 H new ATOM 0 HE22 GLN A 334 8.203 0.574 -5.423 1.00 0.00 H new ATOM 916 N VAL A 335 2.155 -1.460 -4.101 1.00 0.00 N ATOM 917 CA VAL A 335 0.784 -1.406 -3.523 1.00 0.00 C ATOM 918 C VAL A 335 -0.190 -2.126 -4.460 1.00 0.00 C ATOM 919 O VAL A 335 -1.059 -2.849 -4.021 1.00 0.00 O ATOM 920 CB VAL A 335 0.475 0.091 -3.388 1.00 0.00 C ATOM 921 CG1 VAL A 335 -1.027 0.361 -3.538 1.00 0.00 C ATOM 922 CG2 VAL A 335 0.929 0.559 -2.005 1.00 0.00 C ATOM 0 H VAL A 335 2.628 -0.561 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 335 0.696 -1.903 -2.557 1.00 0.00 H new ATOM 0 HB VAL A 335 1.002 0.631 -4.175 1.00 0.00 H new ATOM 0 HG11 VAL A 335 -1.216 1.430 -3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 335 -1.361 0.024 -4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 335 -1.573 -0.178 -2.764 1.00 0.00 H new ATOM 0 HG21 VAL A 335 0.716 1.622 -1.893 1.00 0.00 H new ATOM 0 HG22 VAL A 335 0.394 -0.001 -1.238 1.00 0.00 H new ATOM 0 HG23 VAL A 335 2.000 0.390 -1.897 1.00 0.00 H new ATOM 932 N LYS A 336 -0.040 -1.959 -5.745 1.00 0.00 N ATOM 933 CA LYS A 336 -0.951 -2.672 -6.685 1.00 0.00 C ATOM 934 C LYS A 336 -0.729 -4.175 -6.530 1.00 0.00 C ATOM 935 O LYS A 336 -1.652 -4.928 -6.287 1.00 0.00 O ATOM 936 CB LYS A 336 -0.544 -2.200 -8.082 1.00 0.00 C ATOM 937 CG LYS A 336 -1.194 -3.101 -9.134 1.00 0.00 C ATOM 938 CD LYS A 336 -1.980 -2.241 -10.126 1.00 0.00 C ATOM 939 CE LYS A 336 -2.995 -3.114 -10.867 1.00 0.00 C ATOM 940 NZ LYS A 336 -3.497 -2.260 -11.980 1.00 0.00 N ATOM 0 H LYS A 336 0.666 -1.366 -6.182 1.00 0.00 H new ATOM 0 HA LYS A 336 -2.005 -2.469 -6.498 1.00 0.00 H new ATOM 0 HB2 LYS A 336 -0.853 -1.166 -8.232 1.00 0.00 H new ATOM 0 HB3 LYS A 336 0.541 -2.227 -8.185 1.00 0.00 H new ATOM 0 HG2 LYS A 336 -0.430 -3.675 -9.659 1.00 0.00 H new ATOM 0 HG3 LYS A 336 -1.858 -3.819 -8.653 1.00 0.00 H new ATOM 0 HD2 LYS A 336 -2.493 -1.436 -9.599 1.00 0.00 H new ATOM 0 HD3 LYS A 336 -1.299 -1.773 -10.837 1.00 0.00 H new ATOM 0 HE2 LYS A 336 -2.530 -4.024 -11.246 1.00 0.00 H new ATOM 0 HE3 LYS A 336 -3.807 -3.421 -10.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 336 -4.199 -2.790 -12.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 336 -3.940 -1.404 -11.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 336 -2.703 -1.989 -12.595 1.00 0.00 H new ATOM 954 N HIS A 337 0.498 -4.617 -6.636 1.00 0.00 N ATOM 955 CA HIS A 337 0.776 -6.068 -6.455 1.00 0.00 C ATOM 956 C HIS A 337 0.296 -6.474 -5.063 1.00 0.00 C ATOM 957 O HIS A 337 -0.310 -7.510 -4.875 1.00 0.00 O ATOM 958 CB HIS A 337 2.296 -6.205 -6.565 1.00 0.00 C ATOM 959 CG HIS A 337 2.655 -6.831 -7.885 1.00 0.00 C ATOM 960 ND1 HIS A 337 3.500 -6.209 -8.791 1.00 0.00 N ATOM 961 CD2 HIS A 337 2.295 -8.022 -8.464 1.00 0.00 C ATOM 962 CE1 HIS A 337 3.620 -7.023 -9.857 1.00 0.00 C ATOM 963 NE2 HIS A 337 2.905 -8.141 -9.709 1.00 0.00 N ATOM 0 H HIS A 337 1.313 -4.038 -6.839 1.00 0.00 H new ATOM 0 HA HIS A 337 0.274 -6.700 -7.187 1.00 0.00 H new ATOM 0 HB2 HIS A 337 2.766 -5.226 -6.476 1.00 0.00 H new ATOM 0 HB3 HIS A 337 2.676 -6.816 -5.746 1.00 0.00 H new ATOM 0 HD2 HIS A 337 1.638 -8.756 -8.021 1.00 0.00 H new ATOM 0 HE1 HIS A 337 4.221 -6.799 -10.726 1.00 0.00 H new ATOM 0 HE2 HIS A 337 2.823 -8.916 -10.367 1.00 0.00 H new ATOM 971 N PHE A 338 0.545 -5.638 -4.090 1.00 0.00 N ATOM 972 CA PHE A 338 0.089 -5.936 -2.705 1.00 0.00 C ATOM 973 C PHE A 338 -1.438 -5.943 -2.676 1.00 0.00 C ATOM 974 O PHE A 338 -2.063 -6.768 -2.037 1.00 0.00 O ATOM 975 CB PHE A 338 0.626 -4.783 -1.861 1.00 0.00 C ATOM 976 CG PHE A 338 -0.057 -4.781 -0.518 1.00 0.00 C ATOM 977 CD1 PHE A 338 -0.184 -5.971 0.208 1.00 0.00 C ATOM 978 CD2 PHE A 338 -0.562 -3.586 -0.001 1.00 0.00 C ATOM 979 CE1 PHE A 338 -0.818 -5.961 1.455 1.00 0.00 C ATOM 980 CE2 PHE A 338 -1.196 -3.574 1.246 1.00 0.00 C ATOM 981 CZ PHE A 338 -1.325 -4.764 1.975 1.00 0.00 C ATOM 0 H PHE A 338 1.048 -4.757 -4.198 1.00 0.00 H new ATOM 0 HA PHE A 338 0.436 -6.903 -2.340 1.00 0.00 H new ATOM 0 HB2 PHE A 338 1.704 -4.884 -1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 338 0.453 -3.835 -2.370 1.00 0.00 H new ATOM 0 HD1 PHE A 338 0.206 -6.894 -0.193 1.00 0.00 H new ATOM 0 HD2 PHE A 338 -0.463 -2.670 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 338 -0.916 -6.878 2.017 1.00 0.00 H new ATOM 0 HE2 PHE A 338 -1.585 -2.649 1.646 1.00 0.00 H new ATOM 0 HZ PHE A 338 -1.815 -4.758 2.937 1.00 0.00 H new ATOM 991 N GLN A 339 -2.037 -5.018 -3.373 1.00 0.00 N ATOM 992 CA GLN A 339 -3.522 -4.938 -3.416 1.00 0.00 C ATOM 993 C GLN A 339 -4.101 -6.196 -4.067 1.00 0.00 C ATOM 994 O GLN A 339 -5.174 -6.649 -3.721 1.00 0.00 O ATOM 995 CB GLN A 339 -3.814 -3.709 -4.274 1.00 0.00 C ATOM 996 CG GLN A 339 -4.252 -2.547 -3.380 1.00 0.00 C ATOM 997 CD GLN A 339 -5.689 -2.778 -2.907 1.00 0.00 C ATOM 998 OE1 GLN A 339 -6.355 -3.685 -3.366 1.00 0.00 O ATOM 999 NE2 GLN A 339 -6.199 -1.989 -2.000 1.00 0.00 N ATOM 0 H GLN A 339 -1.554 -4.306 -3.921 1.00 0.00 H new ATOM 0 HA GLN A 339 -3.966 -4.864 -2.423 1.00 0.00 H new ATOM 0 HB2 GLN A 339 -2.926 -3.430 -4.840 1.00 0.00 H new ATOM 0 HB3 GLN A 339 -4.595 -3.937 -4.999 1.00 0.00 H new ATOM 0 HG2 GLN A 339 -3.585 -2.463 -2.522 1.00 0.00 H new ATOM 0 HG3 GLN A 339 -4.185 -1.607 -3.929 1.00 0.00 H new ATOM 0 HE21 GLN A 339 -5.641 -1.228 -1.614 1.00 0.00 H new ATOM 0 HE22 GLN A 339 -7.156 -2.134 -1.677 1.00 0.00 H new