USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 419 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 19 GLN : amide:sc= -0.403 K(o=-0.4,f=-5.9!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0132 X(o=-0.013,f=-0.0032) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.084 USER MOD Single : A 37 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.55) USER MOD Single : A 38 GLN : amide:sc= -0.017 K(o=-0.017,f=-0.68) USER MOD Single : A 46 GLN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.03 X(o=-1,f=-0.7) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.192 -7.110 -2.966 1.00 0.00 N ATOM 230 CA GLN A 19 0.794 -6.460 -1.728 1.00 0.00 C ATOM 231 C GLN A 19 1.932 -6.521 -0.707 1.00 0.00 C ATOM 232 O GLN A 19 2.731 -7.456 -0.717 1.00 0.00 O ATOM 233 CB GLN A 19 -0.482 -7.090 -1.165 1.00 0.00 C ATOM 234 CG GLN A 19 -1.705 -6.226 -1.482 1.00 0.00 C ATOM 235 CD GLN A 19 -3.001 -6.975 -1.167 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.564 -6.868 -0.090 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.442 -7.738 -2.164 1.00 0.00 N ATOM 0 HA GLN A 19 0.580 -5.413 -1.942 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.617 -8.086 -1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.387 -7.211 -0.086 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.663 -5.304 -0.902 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.691 -5.942 -2.534 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.922 -7.783 -3.040 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.300 -8.278 -2.052 1.00 0.00 H new ATOM 246 N VAL A 20 1.969 -5.511 0.150 1.00 0.00 N ATOM 247 CA VAL A 20 2.996 -5.438 1.176 1.00 0.00 C ATOM 248 C VAL A 20 2.361 -4.998 2.496 1.00 0.00 C ATOM 249 O VAL A 20 1.450 -4.172 2.507 1.00 0.00 O ATOM 250 CB VAL A 20 4.126 -4.513 0.719 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.671 -4.945 -0.644 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.663 -3.055 0.688 1.00 0.00 C ATOM 0 H VAL A 20 1.305 -4.737 0.155 1.00 0.00 H new ATOM 0 HA VAL A 20 3.442 -6.419 1.341 1.00 0.00 H new ATOM 0 HB VAL A 20 4.936 -4.591 1.444 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.473 -4.271 -0.945 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.058 -5.962 -0.575 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.871 -4.910 -1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.485 -2.419 0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.827 -2.953 -0.004 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.346 -2.752 1.686 1.00 0.00 H new ATOM 262 N GLU A 21 2.866 -5.571 3.579 1.00 0.00 N ATOM 263 CA GLU A 21 2.360 -5.249 4.902 1.00 0.00 C ATOM 264 C GLU A 21 3.315 -4.291 5.617 1.00 0.00 C ATOM 265 O GLU A 21 4.480 -4.620 5.837 1.00 0.00 O ATOM 266 CB GLU A 21 2.136 -6.518 5.727 1.00 0.00 C ATOM 267 CG GLU A 21 1.642 -6.176 7.135 1.00 0.00 C ATOM 268 CD GLU A 21 1.366 -7.446 7.942 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.242 -8.338 7.915 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.285 -7.497 8.568 1.00 0.00 O ATOM 0 H GLU A 21 3.621 -6.257 3.567 1.00 0.00 H new ATOM 0 HA GLU A 21 1.396 -4.753 4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.408 -7.157 5.227 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.066 -7.083 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.388 -5.569 7.649 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.733 -5.577 7.070 1.00 0.00 H new ATOM 277 N ILE A 22 2.786 -3.126 5.961 1.00 0.00 N ATOM 278 CA ILE A 22 3.577 -2.119 6.647 1.00 0.00 C ATOM 279 C ILE A 22 3.985 -2.647 8.024 1.00 0.00 C ATOM 280 O ILE A 22 3.133 -3.031 8.823 1.00 0.00 O ATOM 281 CB ILE A 22 2.823 -0.789 6.698 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.321 -0.389 5.309 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.684 0.306 7.333 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.416 -0.574 4.257 1.00 0.00 C ATOM 0 H ILE A 22 1.819 -2.857 5.777 1.00 0.00 H new ATOM 0 HA ILE A 22 4.496 -1.918 6.097 1.00 0.00 H new ATOM 0 HB ILE A 22 1.946 -0.918 7.333 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.452 -0.992 5.045 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.995 0.651 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.124 1.241 7.357 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.950 0.016 8.350 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.592 0.442 6.745 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.034 -0.283 3.279 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.274 0.049 4.511 1.00 0.00 H new ATOM 0 HD13 ILE A 22 3.722 -1.620 4.230 1.00 0.00 H new ATOM 296 N THR A 23 5.289 -2.651 8.258 1.00 0.00 N ATOM 297 CA THR A 23 5.821 -3.126 9.524 1.00 0.00 C ATOM 298 C THR A 23 5.711 -2.036 10.592 1.00 0.00 C ATOM 299 O THR A 23 5.640 -2.333 11.783 1.00 0.00 O ATOM 300 CB THR A 23 7.256 -3.600 9.287 1.00 0.00 C ATOM 301 OG1 THR A 23 7.966 -2.408 8.962 1.00 0.00 O ATOM 302 CG2 THR A 23 7.387 -4.465 8.031 1.00 0.00 C ATOM 0 H THR A 23 5.993 -2.333 7.592 1.00 0.00 H new ATOM 0 HA THR A 23 5.243 -3.969 9.903 1.00 0.00 H new ATOM 0 HB THR A 23 7.600 -4.164 10.154 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.907 -2.623 8.794 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.425 -4.775 7.909 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.754 -5.347 8.129 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.075 -3.890 7.159 1.00 0.00 H new ATOM 310 N LYS A 24 5.699 -0.795 10.127 1.00 0.00 N ATOM 311 CA LYS A 24 5.598 0.341 11.027 1.00 0.00 C ATOM 312 C LYS A 24 4.906 1.499 10.304 1.00 0.00 C ATOM 313 O LYS A 24 5.044 1.649 9.091 1.00 0.00 O ATOM 314 CB LYS A 24 6.974 0.702 11.590 1.00 0.00 C ATOM 315 CG LYS A 24 7.934 1.111 10.471 1.00 0.00 C ATOM 316 CD LYS A 24 9.325 0.513 10.696 1.00 0.00 C ATOM 317 CE LYS A 24 10.104 0.429 9.382 1.00 0.00 C ATOM 318 NZ LYS A 24 11.554 0.294 9.647 1.00 0.00 N ATOM 0 H LYS A 24 5.758 -0.552 9.138 1.00 0.00 H new ATOM 0 HA LYS A 24 4.982 0.090 11.890 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.875 1.518 12.306 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.384 -0.150 12.132 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.542 0.777 9.510 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.004 2.198 10.426 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.876 1.124 11.411 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.231 -0.482 11.132 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.754 -0.423 8.799 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.919 1.322 8.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.068 0.238 8.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.887 1.120 10.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.727 -0.571 10.198 1.00 0.00 H new ATOM 332 N ALA A 25 4.178 2.288 11.080 1.00 0.00 N ATOM 333 CA ALA A 25 3.464 3.427 10.529 1.00 0.00 C ATOM 334 C ALA A 25 4.427 4.269 9.689 1.00 0.00 C ATOM 335 O ALA A 25 5.572 4.487 10.083 1.00 0.00 O ATOM 336 CB ALA A 25 2.829 4.230 11.666 1.00 0.00 C ATOM 0 H ALA A 25 4.067 2.161 12.086 1.00 0.00 H new ATOM 0 HA ALA A 25 2.658 3.095 9.874 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.293 5.085 11.253 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.133 3.596 12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.608 4.582 12.342 1.00 0.00 H new ATOM 342 N PHE A 26 3.928 4.718 8.547 1.00 0.00 N ATOM 343 CA PHE A 26 4.729 5.530 7.648 1.00 0.00 C ATOM 344 C PHE A 26 4.059 6.880 7.384 1.00 0.00 C ATOM 345 O PHE A 26 3.319 7.030 6.413 1.00 0.00 O ATOM 346 CB PHE A 26 4.839 4.762 6.329 1.00 0.00 C ATOM 347 CG PHE A 26 5.103 5.651 5.112 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.251 6.375 5.034 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.188 5.716 4.107 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.495 7.200 3.904 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.433 6.541 2.977 1.00 0.00 C ATOM 352 CZ PHE A 26 5.581 7.266 2.900 1.00 0.00 C ATOM 0 H PHE A 26 2.978 4.535 8.224 1.00 0.00 H new ATOM 0 HA PHE A 26 5.707 5.720 8.091 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.642 4.030 6.412 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.916 4.205 6.166 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.978 6.323 5.831 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.276 5.141 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.407 7.775 3.842 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.707 6.593 2.179 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.766 7.894 2.041 1.00 0.00 H new ATOM 362 N PHE A 27 4.342 7.828 8.265 1.00 0.00 N ATOM 363 CA PHE A 27 3.776 9.160 8.140 1.00 0.00 C ATOM 364 C PHE A 27 4.181 9.805 6.813 1.00 0.00 C ATOM 365 O PHE A 27 5.357 10.087 6.589 1.00 0.00 O ATOM 366 CB PHE A 27 4.338 9.996 9.292 1.00 0.00 C ATOM 367 CG PHE A 27 3.793 9.606 10.667 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.610 10.118 11.100 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.492 8.747 11.457 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.104 9.756 12.376 1.00 0.00 C ATOM 371 CE2 PHE A 27 3.986 8.385 12.734 1.00 0.00 C ATOM 372 CZ PHE A 27 2.803 8.897 13.166 1.00 0.00 C ATOM 0 H PHE A 27 4.956 7.700 9.069 1.00 0.00 H new ATOM 0 HA PHE A 27 2.688 9.106 8.170 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.424 9.899 9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.114 11.047 9.108 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.055 10.800 10.473 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.432 8.340 11.113 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.164 10.163 12.720 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.541 7.703 13.361 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.418 8.622 14.137 1.00 0.00 H new ATOM 382 N ALA A 28 3.183 10.020 5.967 1.00 0.00 N ATOM 383 CA ALA A 28 3.421 10.626 4.668 1.00 0.00 C ATOM 384 C ALA A 28 4.038 12.012 4.863 1.00 0.00 C ATOM 385 O ALA A 28 3.547 12.808 5.661 1.00 0.00 O ATOM 386 CB ALA A 28 2.109 10.677 3.881 1.00 0.00 C ATOM 0 H ALA A 28 2.209 9.785 6.156 1.00 0.00 H new ATOM 0 HA ALA A 28 4.126 10.030 4.089 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.287 11.132 2.906 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.727 9.665 3.745 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.378 11.271 4.430 1.00 0.00 H new ATOM 392 N LYS A 29 5.107 12.258 4.119 1.00 0.00 N ATOM 393 CA LYS A 29 5.797 13.534 4.200 1.00 0.00 C ATOM 394 C LYS A 29 5.499 14.351 2.941 1.00 0.00 C ATOM 395 O LYS A 29 5.383 15.574 3.003 1.00 0.00 O ATOM 396 CB LYS A 29 7.291 13.320 4.455 1.00 0.00 C ATOM 397 CG LYS A 29 8.018 12.939 3.163 1.00 0.00 C ATOM 398 CD LYS A 29 8.717 14.154 2.549 1.00 0.00 C ATOM 399 CE LYS A 29 9.896 13.723 1.673 1.00 0.00 C ATOM 400 NZ LYS A 29 11.175 13.931 2.388 1.00 0.00 N ATOM 0 H LYS A 29 5.512 11.595 3.458 1.00 0.00 H new ATOM 0 HA LYS A 29 5.432 14.111 5.049 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.727 14.230 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.428 12.535 5.199 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.751 12.159 3.370 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.306 12.525 2.449 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.005 14.725 1.952 1.00 0.00 H new ATOM 0 HD3 LYS A 29 9.070 14.814 3.341 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.791 12.673 1.402 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.895 14.294 0.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.965 13.634 1.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.280 14.938 2.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.180 13.367 3.262 1.00 0.00 H new ATOM 414 N GLN A 30 5.383 13.641 1.828 1.00 0.00 N ATOM 415 CA GLN A 30 5.100 14.285 0.556 1.00 0.00 C ATOM 416 C GLN A 30 3.593 14.307 0.296 1.00 0.00 C ATOM 417 O GLN A 30 2.808 13.863 1.133 1.00 0.00 O ATOM 418 CB GLN A 30 5.844 13.591 -0.587 1.00 0.00 C ATOM 419 CG GLN A 30 7.236 14.196 -0.783 1.00 0.00 C ATOM 420 CD GLN A 30 7.380 14.800 -2.181 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.625 15.666 -2.592 1.00 0.00 O ATOM 422 NE2 GLN A 30 8.388 14.295 -2.887 1.00 0.00 N ATOM 0 H GLN A 30 5.480 12.627 1.781 1.00 0.00 H new ATOM 0 HA GLN A 30 5.455 15.314 0.605 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.933 12.526 -0.374 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.270 13.684 -1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.411 14.965 -0.031 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.995 13.427 -0.635 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.982 13.571 -2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.567 14.631 -3.833 1.00 0.00 H new ATOM 431 N ALA A 31 3.233 14.828 -0.868 1.00 0.00 N ATOM 432 CA ALA A 31 1.833 14.914 -1.249 1.00 0.00 C ATOM 433 C ALA A 31 1.446 13.661 -2.037 1.00 0.00 C ATOM 434 O ALA A 31 0.274 13.456 -2.347 1.00 0.00 O ATOM 435 CB ALA A 31 1.599 16.199 -2.045 1.00 0.00 C ATOM 0 H ALA A 31 3.887 15.195 -1.560 1.00 0.00 H new ATOM 0 HA ALA A 31 1.196 14.957 -0.365 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.549 16.264 -2.331 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.862 17.060 -1.431 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.219 16.190 -2.941 1.00 0.00 H new ATOM 441 N ASP A 32 2.454 12.856 -2.338 1.00 0.00 N ATOM 442 CA ASP A 32 2.233 11.628 -3.084 1.00 0.00 C ATOM 443 C ASP A 32 2.244 10.441 -2.119 1.00 0.00 C ATOM 444 O ASP A 32 1.704 9.380 -2.429 1.00 0.00 O ATOM 445 CB ASP A 32 3.338 11.407 -4.119 1.00 0.00 C ATOM 446 CG ASP A 32 2.851 11.237 -5.559 1.00 0.00 C ATOM 447 OD1 ASP A 32 1.618 11.303 -5.753 1.00 0.00 O ATOM 448 OD2 ASP A 32 3.723 11.044 -6.434 1.00 0.00 O ATOM 0 H ASP A 32 3.425 13.029 -2.079 1.00 0.00 H new ATOM 0 HA ASP A 32 1.273 11.710 -3.593 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.025 12.253 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.907 10.521 -3.837 1.00 0.00 H new ATOM 453 N GLU A 33 2.865 10.660 -0.970 1.00 0.00 N ATOM 454 CA GLU A 33 2.954 9.621 0.043 1.00 0.00 C ATOM 455 C GLU A 33 1.578 9.363 0.660 1.00 0.00 C ATOM 456 O GLU A 33 0.584 9.953 0.239 1.00 0.00 O ATOM 457 CB GLU A 33 3.977 9.989 1.118 1.00 0.00 C ATOM 458 CG GLU A 33 5.405 9.872 0.580 1.00 0.00 C ATOM 459 CD GLU A 33 6.426 10.288 1.640 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.070 10.204 2.835 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.540 10.681 1.231 1.00 0.00 O ATOM 0 H GLU A 33 3.312 11.541 -0.717 1.00 0.00 H new ATOM 0 HA GLU A 33 3.294 8.703 -0.435 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.797 11.007 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.855 9.334 1.981 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.597 8.845 0.268 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.517 10.500 -0.304 1.00 0.00 H new ATOM 468 N VAL A 34 1.564 8.482 1.649 1.00 0.00 N ATOM 469 CA VAL A 34 0.327 8.139 2.329 1.00 0.00 C ATOM 470 C VAL A 34 0.650 7.569 3.712 1.00 0.00 C ATOM 471 O VAL A 34 1.507 6.697 3.843 1.00 0.00 O ATOM 472 CB VAL A 34 -0.497 7.181 1.466 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.358 6.008 0.981 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.731 6.685 2.222 1.00 0.00 C ATOM 0 H VAL A 34 2.390 7.995 1.996 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.285 9.029 2.479 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.841 7.730 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.251 5.342 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.190 6.386 0.387 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.745 5.460 1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.299 6.006 1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.418 6.160 3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.357 7.535 2.495 1.00 0.00 H new ATOM 484 N THR A 35 -0.053 8.086 4.709 1.00 0.00 N ATOM 485 CA THR A 35 0.149 7.640 6.077 1.00 0.00 C ATOM 486 C THR A 35 -0.318 6.192 6.240 1.00 0.00 C ATOM 487 O THR A 35 -1.404 5.832 5.789 1.00 0.00 O ATOM 488 CB THR A 35 -0.572 8.619 7.005 1.00 0.00 C ATOM 489 OG1 THR A 35 0.044 9.875 6.731 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.260 8.365 8.481 1.00 0.00 C ATOM 0 H THR A 35 -0.763 8.810 4.597 1.00 0.00 H new ATOM 0 HA THR A 35 1.207 7.639 6.341 1.00 0.00 H new ATOM 0 HB THR A 35 -1.648 8.546 6.844 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.365 10.569 7.289 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.797 9.087 9.096 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.572 7.356 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.812 8.471 8.650 1.00 0.00 H new ATOM 498 N LEU A 36 0.525 5.401 6.886 1.00 0.00 N ATOM 499 CA LEU A 36 0.213 4.001 7.115 1.00 0.00 C ATOM 500 C LEU A 36 0.402 3.675 8.598 1.00 0.00 C ATOM 501 O LEU A 36 0.918 4.496 9.356 1.00 0.00 O ATOM 502 CB LEU A 36 1.032 3.109 6.180 1.00 0.00 C ATOM 503 CG LEU A 36 1.189 3.609 4.742 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.358 2.913 4.044 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.119 3.455 3.963 1.00 0.00 C ATOM 0 H LEU A 36 1.425 5.703 7.259 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.831 3.800 6.875 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.026 2.982 6.610 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.568 2.123 6.152 1.00 0.00 H new ATOM 0 HG LEU A 36 1.422 4.673 4.773 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.447 3.287 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.280 3.118 4.588 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.181 1.838 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.019 3.817 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.406 2.404 3.938 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.903 4.034 4.451 1.00 0.00 H new ATOM 517 N GLN A 37 -0.024 2.477 8.967 1.00 0.00 N ATOM 518 CA GLN A 37 0.092 2.033 10.346 1.00 0.00 C ATOM 519 C GLN A 37 0.844 0.702 10.413 1.00 0.00 C ATOM 520 O GLN A 37 1.207 0.137 9.383 1.00 0.00 O ATOM 521 CB GLN A 37 -1.285 1.918 11.003 1.00 0.00 C ATOM 522 CG GLN A 37 -1.770 3.282 11.500 1.00 0.00 C ATOM 523 CD GLN A 37 -0.754 3.910 12.457 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.295 3.296 13.406 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.431 5.164 12.155 1.00 0.00 N ATOM 0 H GLN A 37 -0.450 1.799 8.335 1.00 0.00 H new ATOM 0 HA GLN A 37 0.661 2.779 10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.000 1.512 10.288 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.237 1.219 11.838 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.933 3.945 10.651 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.729 3.169 12.005 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.853 5.619 11.345 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.239 5.671 12.733 1.00 0.00 H new ATOM 534 N GLN A 38 1.057 0.241 11.637 1.00 0.00 N ATOM 535 CA GLN A 38 1.760 -1.012 11.852 1.00 0.00 C ATOM 536 C GLN A 38 0.869 -2.194 11.463 1.00 0.00 C ATOM 537 O GLN A 38 -0.253 -2.318 11.952 1.00 0.00 O ATOM 538 CB GLN A 38 2.230 -1.135 13.303 1.00 0.00 C ATOM 539 CG GLN A 38 2.892 -2.492 13.552 1.00 0.00 C ATOM 540 CD GLN A 38 3.063 -2.752 15.050 1.00 0.00 C ATOM 541 OE1 GLN A 38 2.206 -2.443 15.862 1.00 0.00 O ATOM 542 NE2 GLN A 38 4.214 -3.337 15.370 1.00 0.00 N ATOM 0 H GLN A 38 0.755 0.713 12.489 1.00 0.00 H new ATOM 0 HA GLN A 38 2.645 -1.023 11.215 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.935 -0.335 13.530 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.381 -1.012 13.976 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.287 -3.283 13.109 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.865 -2.522 13.061 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.888 -3.569 14.641 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.422 -3.553 16.345 1.00 0.00 H new ATOM 551 N ALA A 39 1.403 -3.032 10.586 1.00 0.00 N ATOM 552 CA ALA A 39 0.670 -4.199 10.125 1.00 0.00 C ATOM 553 C ALA A 39 -0.480 -3.750 9.222 1.00 0.00 C ATOM 554 O ALA A 39 -1.617 -4.186 9.396 1.00 0.00 O ATOM 555 CB ALA A 39 0.184 -5.006 11.331 1.00 0.00 C ATOM 0 H ALA A 39 2.334 -2.926 10.183 1.00 0.00 H new ATOM 0 HA ALA A 39 1.316 -4.850 9.536 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.366 -5.881 10.985 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.041 -5.326 11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.470 -4.386 11.944 1.00 0.00 H new ATOM 561 N ASP A 40 -0.145 -2.885 8.276 1.00 0.00 N ATOM 562 CA ASP A 40 -1.135 -2.372 7.345 1.00 0.00 C ATOM 563 C ASP A 40 -0.847 -2.922 5.947 1.00 0.00 C ATOM 564 O ASP A 40 0.288 -2.868 5.476 1.00 0.00 O ATOM 565 CB ASP A 40 -1.084 -0.845 7.273 1.00 0.00 C ATOM 566 CG ASP A 40 -1.763 -0.119 8.436 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.665 -0.643 9.567 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.366 0.943 8.168 1.00 0.00 O ATOM 0 H ASP A 40 0.799 -2.526 8.134 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.120 -2.683 7.694 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.040 -0.533 7.230 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.551 -0.525 6.342 1.00 0.00 H new ATOM 573 N VAL A 41 -1.895 -3.438 5.322 1.00 0.00 N ATOM 574 CA VAL A 41 -1.769 -3.997 3.986 1.00 0.00 C ATOM 575 C VAL A 41 -1.949 -2.884 2.953 1.00 0.00 C ATOM 576 O VAL A 41 -2.784 -1.998 3.128 1.00 0.00 O ATOM 577 CB VAL A 41 -2.762 -5.147 3.805 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.556 -5.841 2.457 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.659 -6.148 4.958 1.00 0.00 C ATOM 0 H VAL A 41 -2.835 -3.481 5.716 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.774 -4.418 3.840 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.767 -4.726 3.816 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.274 -6.654 2.353 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.703 -5.122 1.651 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.544 -6.242 2.405 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.375 -6.955 4.804 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.650 -6.560 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.878 -5.643 5.899 1.00 0.00 H new ATOM 589 N VAL A 42 -1.151 -2.964 1.898 1.00 0.00 N ATOM 590 CA VAL A 42 -1.211 -1.974 0.836 1.00 0.00 C ATOM 591 C VAL A 42 -1.092 -2.677 -0.517 1.00 0.00 C ATOM 592 O VAL A 42 -0.187 -3.483 -0.726 1.00 0.00 O ATOM 593 CB VAL A 42 -0.135 -0.908 1.053 1.00 0.00 C ATOM 594 CG1 VAL A 42 0.039 -0.043 -0.196 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.454 -0.048 2.277 1.00 0.00 C ATOM 0 H VAL A 42 -0.459 -3.700 1.756 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.170 -1.456 0.850 1.00 0.00 H new ATOM 0 HB VAL A 42 0.810 -1.418 1.240 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.809 0.707 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.335 -0.672 -1.036 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.903 0.454 -0.429 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.326 0.701 2.408 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.413 0.449 2.133 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.503 -0.680 3.163 1.00 0.00 H new ATOM 605 N LEU A 43 -2.020 -2.346 -1.403 1.00 0.00 N ATOM 606 CA LEU A 43 -2.031 -2.935 -2.731 1.00 0.00 C ATOM 607 C LEU A 43 -1.145 -2.104 -3.661 1.00 0.00 C ATOM 608 O LEU A 43 -1.494 -0.980 -4.017 1.00 0.00 O ATOM 609 CB LEU A 43 -3.468 -3.096 -3.234 1.00 0.00 C ATOM 610 CG LEU A 43 -3.626 -3.714 -4.625 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.806 -5.230 -4.535 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.767 -3.046 -5.395 1.00 0.00 C ATOM 0 H LEU A 43 -2.770 -1.677 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.611 -3.941 -2.704 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.015 -3.712 -2.520 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.943 -2.115 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.709 -3.532 -5.185 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.916 -5.643 -5.538 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.934 -5.672 -4.054 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.697 -5.456 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.858 -3.504 -6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.700 -3.175 -4.847 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.557 -1.982 -5.507 1.00 0.00 H new ATOM 624 N VAL A 44 -0.014 -2.689 -4.027 1.00 0.00 N ATOM 625 CA VAL A 44 0.926 -2.016 -4.908 1.00 0.00 C ATOM 626 C VAL A 44 0.244 -1.723 -6.245 1.00 0.00 C ATOM 627 O VAL A 44 -0.473 -2.568 -6.779 1.00 0.00 O ATOM 628 CB VAL A 44 2.197 -2.856 -5.056 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.149 -2.233 -6.079 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.890 -3.044 -3.705 1.00 0.00 C ATOM 0 H VAL A 44 0.273 -3.622 -3.730 1.00 0.00 H new ATOM 0 HA VAL A 44 1.232 -1.060 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 44 1.908 -3.841 -5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.044 -2.849 -6.165 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.654 -2.174 -7.048 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.428 -1.231 -5.753 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.790 -3.644 -3.838 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.160 -2.070 -3.296 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.214 -3.552 -3.017 1.00 0.00 H new ATOM 640 N LEU A 45 0.491 -0.523 -6.749 1.00 0.00 N ATOM 641 CA LEU A 45 -0.091 -0.107 -8.014 1.00 0.00 C ATOM 642 C LEU A 45 1.030 0.203 -9.008 1.00 0.00 C ATOM 643 O LEU A 45 0.937 -0.148 -10.183 1.00 0.00 O ATOM 644 CB LEU A 45 -1.063 1.055 -7.801 1.00 0.00 C ATOM 645 CG LEU A 45 -2.390 0.704 -7.125 1.00 0.00 C ATOM 646 CD1 LEU A 45 -3.003 1.932 -6.449 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.356 0.053 -8.117 1.00 0.00 C ATOM 0 H LEU A 45 1.087 0.175 -6.304 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.685 -0.914 -8.444 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.563 1.816 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.279 1.504 -8.770 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.191 -0.028 -6.342 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.945 1.655 -5.976 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.316 2.312 -5.693 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.185 2.705 -7.195 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.291 -0.186 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.554 0.742 -8.938 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.912 -0.861 -8.510 1.00 0.00 H new ATOM 659 N GLN A 46 2.064 0.858 -8.500 1.00 0.00 N ATOM 660 CA GLN A 46 3.201 1.219 -9.328 1.00 0.00 C ATOM 661 C GLN A 46 4.506 1.026 -8.553 1.00 0.00 C ATOM 662 O GLN A 46 4.717 1.659 -7.519 1.00 0.00 O ATOM 663 CB GLN A 46 3.074 2.656 -9.838 1.00 0.00 C ATOM 664 CG GLN A 46 2.573 2.683 -11.283 1.00 0.00 C ATOM 665 CD GLN A 46 1.357 3.602 -11.425 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.450 4.815 -11.332 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.216 2.958 -11.654 1.00 0.00 N ATOM 0 H GLN A 46 2.138 1.148 -7.525 1.00 0.00 H new ATOM 0 HA GLN A 46 3.216 0.560 -10.196 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.387 3.212 -9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.041 3.155 -9.775 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.371 3.025 -11.942 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.309 1.674 -11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.209 1.940 -11.720 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.652 3.482 -11.763 1.00 0.00 H new ATOM 676 N GLN A 47 5.347 0.149 -9.081 1.00 0.00 N ATOM 677 CA GLN A 47 6.625 -0.135 -8.451 1.00 0.00 C ATOM 678 C GLN A 47 7.731 0.708 -9.090 1.00 0.00 C ATOM 679 O GLN A 47 8.065 0.518 -10.258 1.00 0.00 O ATOM 680 CB GLN A 47 6.957 -1.626 -8.532 1.00 0.00 C ATOM 681 CG GLN A 47 6.414 -2.376 -7.313 1.00 0.00 C ATOM 682 CD GLN A 47 7.102 -3.733 -7.153 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.494 -4.784 -7.272 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.400 -3.652 -6.876 1.00 0.00 N ATOM 0 H GLN A 47 5.168 -0.374 -9.938 1.00 0.00 H new ATOM 0 HA GLN A 47 6.555 0.131 -7.396 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.531 -2.048 -9.442 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.037 -1.759 -8.594 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.569 -1.778 -6.415 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.339 -2.520 -7.419 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.847 -2.739 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.949 -4.503 -6.750 1.00 0.00 H new ATOM 693 N GLU A 48 8.269 1.621 -8.295 1.00 0.00 N ATOM 694 CA GLU A 48 9.330 2.494 -8.768 1.00 0.00 C ATOM 695 C GLU A 48 10.590 2.304 -7.921 1.00 0.00 C ATOM 696 O GLU A 48 10.599 2.625 -6.734 1.00 0.00 O ATOM 697 CB GLU A 48 8.881 3.956 -8.762 1.00 0.00 C ATOM 698 CG GLU A 48 9.831 4.825 -9.589 1.00 0.00 C ATOM 699 CD GLU A 48 9.897 6.248 -9.033 1.00 0.00 C ATOM 700 OE1 GLU A 48 8.840 6.915 -9.052 1.00 0.00 O ATOM 701 OE2 GLU A 48 11.003 6.637 -8.600 1.00 0.00 O ATOM 0 H GLU A 48 7.990 1.775 -7.326 1.00 0.00 H new ATOM 0 HA GLU A 48 9.564 2.225 -9.798 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.871 4.031 -9.164 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.845 4.325 -7.737 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.828 4.384 -9.587 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.496 4.851 -10.626 1.00 0.00 H new ATOM 708 N ASP A 49 11.625 1.783 -8.565 1.00 0.00 N ATOM 709 CA ASP A 49 12.887 1.547 -7.886 1.00 0.00 C ATOM 710 C ASP A 49 13.161 2.696 -6.914 1.00 0.00 C ATOM 711 O ASP A 49 13.577 3.778 -7.327 1.00 0.00 O ATOM 712 CB ASP A 49 14.046 1.485 -8.884 1.00 0.00 C ATOM 713 CG ASP A 49 14.415 0.079 -9.359 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.332 -0.844 -8.521 1.00 0.00 O ATOM 715 OD2 ASP A 49 14.771 -0.042 -10.552 1.00 0.00 O ATOM 0 H ASP A 49 11.615 1.518 -9.550 1.00 0.00 H new ATOM 0 HA ASP A 49 12.814 0.596 -7.359 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.790 2.090 -9.753 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.925 1.940 -8.426 1.00 0.00 H new ATOM 720 N GLY A 50 12.917 2.423 -5.641 1.00 0.00 N ATOM 721 CA GLY A 50 13.133 3.421 -4.607 1.00 0.00 C ATOM 722 C GLY A 50 11.871 3.619 -3.764 1.00 0.00 C ATOM 723 O GLY A 50 11.951 3.781 -2.548 1.00 0.00 O ATOM 0 H GLY A 50 12.572 1.525 -5.302 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.958 3.112 -3.966 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.421 4.367 -5.064 1.00 0.00 H new ATOM 727 N TRP A 51 10.734 3.599 -4.445 1.00 0.00 N ATOM 728 CA TRP A 51 9.457 3.774 -3.775 1.00 0.00 C ATOM 729 C TRP A 51 8.451 2.818 -4.418 1.00 0.00 C ATOM 730 O TRP A 51 8.509 2.566 -5.621 1.00 0.00 O ATOM 731 CB TRP A 51 9.009 5.236 -3.823 1.00 0.00 C ATOM 732 CG TRP A 51 9.818 6.166 -2.917 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.059 6.633 -3.113 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.391 6.726 -1.658 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.461 7.450 -2.076 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.414 7.508 -1.163 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.179 6.577 -0.960 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.330 8.203 0.050 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.111 7.277 0.250 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.133 8.069 0.762 1.00 0.00 C ATOM 0 H TRP A 51 10.671 3.464 -5.454 1.00 0.00 H new ATOM 0 HA TRP A 51 9.540 3.530 -2.716 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.081 5.594 -4.850 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.958 5.293 -3.539 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.668 6.399 -3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.360 7.924 -1.994 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.365 5.970 -1.329 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.145 8.810 0.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.201 7.196 0.826 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.003 8.579 1.705 1.00 0.00 H new ATOM 751 N LEU A 52 7.550 2.312 -3.589 1.00 0.00 N ATOM 752 CA LEU A 52 6.532 1.389 -4.062 1.00 0.00 C ATOM 753 C LEU A 52 5.150 2.013 -3.856 1.00 0.00 C ATOM 754 O LEU A 52 4.735 2.250 -2.723 1.00 0.00 O ATOM 755 CB LEU A 52 6.696 0.022 -3.394 1.00 0.00 C ATOM 756 CG LEU A 52 8.134 -0.462 -3.201 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.822 -0.688 -4.549 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.922 0.500 -2.310 1.00 0.00 C ATOM 0 H LEU A 52 7.504 2.524 -2.592 1.00 0.00 H new ATOM 0 HA LEU A 52 6.646 1.211 -5.131 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.211 0.056 -2.418 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.162 -0.718 -3.990 1.00 0.00 H new ATOM 0 HG LEU A 52 8.104 -1.424 -2.689 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.843 -1.032 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.273 -1.440 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.840 0.247 -5.109 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.941 0.132 -2.189 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.945 1.487 -2.772 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.442 0.567 -1.334 1.00 0.00 H new ATOM 770 N TYR A 53 4.476 2.259 -4.970 1.00 0.00 N ATOM 771 CA TYR A 53 3.149 2.851 -4.926 1.00 0.00 C ATOM 772 C TYR A 53 2.071 1.771 -4.806 1.00 0.00 C ATOM 773 O TYR A 53 2.202 0.692 -5.382 1.00 0.00 O ATOM 774 CB TYR A 53 2.971 3.587 -6.255 1.00 0.00 C ATOM 775 CG TYR A 53 1.719 4.464 -6.318 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.621 5.584 -5.519 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.689 4.134 -7.175 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.442 6.410 -5.578 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.490 4.960 -7.234 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.555 6.057 -6.433 1.00 0.00 C ATOM 781 OH TYR A 53 -1.668 6.837 -6.489 1.00 0.00 O ATOM 0 H TYR A 53 4.823 2.059 -5.908 1.00 0.00 H new ATOM 0 HA TYR A 53 3.052 3.513 -4.066 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.848 4.210 -6.434 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.930 2.855 -7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.428 5.842 -4.849 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.767 3.257 -7.801 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.352 7.289 -4.957 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.304 4.713 -7.900 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.296 6.465 -7.143 1.00 0.00 H new ATOM 791 N GLY A 54 1.031 2.100 -4.055 1.00 0.00 N ATOM 792 CA GLY A 54 -0.069 1.171 -3.853 1.00 0.00 C ATOM 793 C GLY A 54 -1.272 1.876 -3.223 1.00 0.00 C ATOM 794 O GLY A 54 -1.287 3.100 -3.105 1.00 0.00 O ATOM 0 H GLY A 54 0.926 2.996 -3.579 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.359 0.732 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.255 0.352 -3.211 1.00 0.00 H new ATOM 798 N GLU A 55 -2.251 1.072 -2.835 1.00 0.00 N ATOM 799 CA GLU A 55 -3.456 1.603 -2.220 1.00 0.00 C ATOM 800 C GLU A 55 -3.727 0.900 -0.888 1.00 0.00 C ATOM 801 O GLU A 55 -3.912 -0.316 -0.851 1.00 0.00 O ATOM 802 CB GLU A 55 -4.655 1.475 -3.162 1.00 0.00 C ATOM 803 CG GLU A 55 -5.959 1.816 -2.438 1.00 0.00 C ATOM 804 CD GLU A 55 -6.925 0.629 -2.462 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.246 0.181 -3.583 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.321 0.198 -1.357 1.00 0.00 O ATOM 0 H GLU A 55 -2.235 0.057 -2.934 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.302 2.664 -2.023 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.524 2.140 -4.016 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.707 0.459 -3.554 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.744 2.094 -1.406 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.427 2.680 -2.910 1.00 0.00 H new ATOM 813 N ARG A 56 -3.741 1.694 0.172 1.00 0.00 N ATOM 814 CA ARG A 56 -3.986 1.162 1.502 1.00 0.00 C ATOM 815 C ARG A 56 -5.418 0.634 1.607 1.00 0.00 C ATOM 816 O ARG A 56 -6.360 1.409 1.762 1.00 0.00 O ATOM 817 CB ARG A 56 -3.765 2.233 2.572 1.00 0.00 C ATOM 818 CG ARG A 56 -3.548 1.597 3.947 1.00 0.00 C ATOM 819 CD ARG A 56 -3.299 2.667 5.012 1.00 0.00 C ATOM 820 NE ARG A 56 -4.432 3.620 5.047 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.517 4.654 5.895 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.539 4.875 6.783 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.582 5.466 5.855 1.00 0.00 N ATOM 0 H ARG A 56 -3.587 2.702 0.137 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.282 0.347 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.901 2.842 2.309 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.626 2.900 2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.421 1.004 4.219 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.699 0.915 3.906 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.177 2.198 5.989 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.372 3.199 4.796 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.195 3.481 4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.729 4.256 6.814 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.604 5.662 7.428 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.327 5.297 5.179 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.648 6.253 6.500 1.00 0.00 H new ATOM 837 N LEU A 57 -5.537 -0.683 1.518 1.00 0.00 N ATOM 838 CA LEU A 57 -6.838 -1.324 1.601 1.00 0.00 C ATOM 839 C LEU A 57 -7.559 -0.843 2.861 1.00 0.00 C ATOM 840 O LEU A 57 -8.784 -0.921 2.948 1.00 0.00 O ATOM 841 CB LEU A 57 -6.692 -2.845 1.519 1.00 0.00 C ATOM 842 CG LEU A 57 -6.143 -3.396 0.201 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.778 -2.687 -0.997 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.615 -3.318 0.169 1.00 0.00 C ATOM 0 H LEU A 57 -4.753 -1.323 1.389 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.458 -1.040 0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.037 -3.171 2.327 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.669 -3.294 1.699 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.414 -4.450 0.132 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.370 -3.098 -1.921 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.857 -2.837 -0.978 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.559 -1.620 -0.946 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.250 -3.716 -0.778 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.301 -2.279 0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.203 -3.904 0.991 1.00 0.00 H new ATOM 856 N ARG A 58 -6.770 -0.356 3.807 1.00 0.00 N ATOM 857 CA ARG A 58 -7.318 0.138 5.059 1.00 0.00 C ATOM 858 C ARG A 58 -8.507 1.062 4.790 1.00 0.00 C ATOM 859 O ARG A 58 -9.639 0.745 5.154 1.00 0.00 O ATOM 860 CB ARG A 58 -6.260 0.899 5.861 1.00 0.00 C ATOM 861 CG ARG A 58 -6.811 1.332 7.221 1.00 0.00 C ATOM 862 CD ARG A 58 -5.781 2.162 7.991 1.00 0.00 C ATOM 863 NE ARG A 58 -6.421 3.375 8.546 1.00 0.00 N ATOM 864 CZ ARG A 58 -5.806 4.243 9.361 1.00 0.00 C ATOM 865 NH1 ARG A 58 -4.532 4.036 9.721 1.00 0.00 N ATOM 866 NH2 ARG A 58 -6.465 5.317 9.816 1.00 0.00 N ATOM 0 H ARG A 58 -5.755 -0.293 3.732 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.647 -0.724 5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.383 0.268 6.004 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.934 1.775 5.301 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.721 1.915 7.080 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.083 0.452 7.804 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.351 1.567 8.797 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.961 2.443 7.330 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.391 3.562 8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.031 3.218 9.375 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.064 4.696 10.341 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.435 5.474 9.542 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -5.997 5.978 10.436 1.00 0.00 H new ATOM 880 N ASP A 59 -8.210 2.186 4.155 1.00 0.00 N ATOM 881 CA ASP A 59 -9.241 3.158 3.833 1.00 0.00 C ATOM 882 C ASP A 59 -9.397 3.246 2.314 1.00 0.00 C ATOM 883 O ASP A 59 -10.460 3.610 1.815 1.00 0.00 O ATOM 884 CB ASP A 59 -8.868 4.549 4.351 1.00 0.00 C ATOM 885 CG ASP A 59 -9.823 5.671 3.939 1.00 0.00 C ATOM 886 OD1 ASP A 59 -11.047 5.444 4.054 1.00 0.00 O ATOM 887 OD2 ASP A 59 -9.308 6.729 3.518 1.00 0.00 O ATOM 0 H ASP A 59 -7.270 2.445 3.855 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.169 2.834 4.305 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.821 4.514 5.439 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.867 4.796 3.996 1.00 0.00 H new ATOM 892 N GLY A 60 -8.320 2.906 1.620 1.00 0.00 N ATOM 893 CA GLY A 60 -8.324 2.942 0.167 1.00 0.00 C ATOM 894 C GLY A 60 -7.450 4.084 -0.355 1.00 0.00 C ATOM 895 O GLY A 60 -7.484 4.403 -1.543 1.00 0.00 O ATOM 0 H GLY A 60 -7.439 2.604 2.037 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.960 1.992 -0.225 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.345 3.066 -0.195 1.00 0.00 H new ATOM 899 N GLU A 61 -6.687 4.668 0.557 1.00 0.00 N ATOM 900 CA GLU A 61 -5.805 5.767 0.203 1.00 0.00 C ATOM 901 C GLU A 61 -4.663 5.268 -0.683 1.00 0.00 C ATOM 902 O GLU A 61 -3.954 4.331 -0.319 1.00 0.00 O ATOM 903 CB GLU A 61 -5.265 6.462 1.455 1.00 0.00 C ATOM 904 CG GLU A 61 -5.581 7.958 1.431 1.00 0.00 C ATOM 905 CD GLU A 61 -4.483 8.762 2.131 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.232 8.464 3.319 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.919 9.655 1.463 1.00 0.00 O ATOM 0 H GLU A 61 -6.661 4.401 1.541 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.381 6.501 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.703 6.009 2.344 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.187 6.315 1.520 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.682 8.295 0.399 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.538 8.139 1.921 1.00 0.00 H new ATOM 914 N THR A 62 -4.520 5.915 -1.831 1.00 0.00 N ATOM 915 CA THR A 62 -3.476 5.548 -2.772 1.00 0.00 C ATOM 916 C THR A 62 -2.338 6.570 -2.732 1.00 0.00 C ATOM 917 O THR A 62 -2.521 7.723 -3.118 1.00 0.00 O ATOM 918 CB THR A 62 -4.115 5.404 -4.155 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.423 4.910 -3.883 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.464 4.298 -4.988 1.00 0.00 C ATOM 0 H THR A 62 -5.110 6.691 -2.130 1.00 0.00 H new ATOM 0 HA THR A 62 -3.022 4.593 -2.506 1.00 0.00 H new ATOM 0 HB THR A 62 -4.042 6.351 -4.689 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.909 4.789 -4.726 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.954 4.238 -5.960 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.407 4.523 -5.129 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.566 3.344 -4.470 1.00 0.00 H new ATOM 928 N GLY A 63 -1.188 6.109 -2.260 1.00 0.00 N ATOM 929 CA GLY A 63 -0.021 6.969 -2.164 1.00 0.00 C ATOM 930 C GLY A 63 1.264 6.179 -2.418 1.00 0.00 C ATOM 931 O GLY A 63 1.214 4.997 -2.754 1.00 0.00 O ATOM 0 H GLY A 63 -1.040 5.152 -1.940 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.102 7.780 -2.887 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.018 7.426 -1.175 1.00 0.00 H new ATOM 935 N TRP A 64 2.386 6.864 -2.247 1.00 0.00 N ATOM 936 CA TRP A 64 3.682 6.241 -2.453 1.00 0.00 C ATOM 937 C TRP A 64 4.195 5.756 -1.096 1.00 0.00 C ATOM 938 O TRP A 64 4.163 6.498 -0.115 1.00 0.00 O ATOM 939 CB TRP A 64 4.648 7.202 -3.149 1.00 0.00 C ATOM 940 CG TRP A 64 4.385 7.372 -4.647 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.579 8.257 -5.248 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.968 6.596 -5.715 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.599 8.110 -6.620 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.470 7.067 -6.913 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.885 5.531 -5.671 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.831 6.533 -8.156 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.235 5.008 -6.921 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.743 5.471 -8.136 1.00 0.00 C ATOM 0 H TRP A 64 2.424 7.844 -1.968 1.00 0.00 H new ATOM 0 HA TRP A 64 3.595 5.383 -3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.585 8.177 -2.666 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.667 6.842 -3.008 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.987 8.993 -4.724 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.072 8.664 -7.295 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.288 5.147 -4.745 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.428 6.920 -9.080 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.937 4.187 -6.943 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.063 5.013 -9.060 1.00 0.00 H new ATOM 959 N PHE A 65 4.656 4.514 -1.082 1.00 0.00 N ATOM 960 CA PHE A 65 5.175 3.922 0.139 1.00 0.00 C ATOM 961 C PHE A 65 6.473 3.158 -0.131 1.00 0.00 C ATOM 962 O PHE A 65 6.549 2.367 -1.070 1.00 0.00 O ATOM 963 CB PHE A 65 4.116 2.940 0.645 1.00 0.00 C ATOM 964 CG PHE A 65 4.151 1.576 -0.047 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.150 0.697 0.233 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.183 1.243 -0.942 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.182 -0.570 -0.409 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.215 -0.023 -1.584 1.00 0.00 C ATOM 969 CZ PHE A 65 4.214 -0.903 -1.304 1.00 0.00 C ATOM 0 H PHE A 65 4.681 3.901 -1.897 1.00 0.00 H new ATOM 0 HA PHE A 65 5.389 4.702 0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.252 2.796 1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.129 3.382 0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.919 0.962 0.943 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.390 1.941 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.975 -1.269 -0.186 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.446 -0.287 -2.295 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.238 -1.866 -1.792 1.00 0.00 H new ATOM 979 N PRO A 66 7.490 3.430 0.731 1.00 0.00 N ATOM 980 CA PRO A 66 8.781 2.778 0.595 1.00 0.00 C ATOM 981 C PRO A 66 8.716 1.327 1.075 1.00 0.00 C ATOM 982 O PRO A 66 7.891 0.985 1.921 1.00 0.00 O ATOM 983 CB PRO A 66 9.740 3.631 1.410 1.00 0.00 C ATOM 984 CG PRO A 66 8.871 4.456 2.345 1.00 0.00 C ATOM 985 CD PRO A 66 7.436 4.362 1.854 1.00 0.00 C ATOM 0 HA PRO A 66 9.111 2.711 -0.442 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.436 3.008 1.972 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.338 4.274 0.763 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.950 4.084 3.367 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.203 5.494 2.357 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.772 3.999 2.638 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.059 5.336 1.543 1.00 0.00 H new ATOM 993 N GLU A 67 9.597 0.511 0.513 1.00 0.00 N ATOM 994 CA GLU A 67 9.649 -0.895 0.873 1.00 0.00 C ATOM 995 C GLU A 67 10.268 -1.065 2.262 1.00 0.00 C ATOM 996 O GLU A 67 9.873 -1.951 3.018 1.00 0.00 O ATOM 997 CB GLU A 67 10.422 -1.700 -0.173 1.00 0.00 C ATOM 998 CG GLU A 67 11.705 -0.976 -0.585 1.00 0.00 C ATOM 999 CD GLU A 67 12.897 -1.935 -0.599 1.00 0.00 C ATOM 1000 OE1 GLU A 67 12.949 -2.762 -1.534 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.729 -1.819 0.327 1.00 0.00 O ATOM 0 H GLU A 67 10.280 0.797 -0.189 1.00 0.00 H new ATOM 0 HA GLU A 67 8.630 -1.281 0.901 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.668 -2.683 0.229 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.794 -1.862 -1.049 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.577 -0.536 -1.574 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.902 -0.156 0.106 1.00 0.00 H new ATOM 1008 N ASP A 68 11.230 -0.202 2.556 1.00 0.00 N ATOM 1009 CA ASP A 68 11.907 -0.245 3.841 1.00 0.00 C ATOM 1010 C ASP A 68 10.867 -0.227 4.962 1.00 0.00 C ATOM 1011 O ASP A 68 11.146 -0.659 6.080 1.00 0.00 O ATOM 1012 CB ASP A 68 12.820 0.970 4.024 1.00 0.00 C ATOM 1013 CG ASP A 68 14.265 0.641 4.404 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.560 -0.567 4.522 1.00 0.00 O ATOM 1015 OD2 ASP A 68 15.042 1.607 4.567 1.00 0.00 O ATOM 0 H ASP A 68 11.556 0.531 1.926 1.00 0.00 H new ATOM 0 HA ASP A 68 12.506 -1.155 3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.825 1.544 3.098 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.395 1.613 4.795 1.00 0.00 H new ATOM 1020 N PHE A 69 9.689 0.276 4.625 1.00 0.00 N ATOM 1021 CA PHE A 69 8.605 0.356 5.590 1.00 0.00 C ATOM 1022 C PHE A 69 7.501 -0.651 5.259 1.00 0.00 C ATOM 1023 O PHE A 69 6.364 -0.499 5.702 1.00 0.00 O ATOM 1024 CB PHE A 69 8.031 1.771 5.502 1.00 0.00 C ATOM 1025 CG PHE A 69 8.977 2.859 6.015 1.00 0.00 C ATOM 1026 CD1 PHE A 69 10.048 3.237 5.267 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.746 3.449 7.219 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.926 4.246 5.743 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.624 4.458 7.695 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.695 4.836 6.947 1.00 0.00 C ATOM 0 H PHE A 69 9.461 0.632 3.697 1.00 0.00 H new ATOM 0 HA PHE A 69 8.979 0.130 6.589 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.777 1.985 4.464 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.103 1.812 6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.231 2.770 4.311 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.895 3.150 7.813 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.777 4.545 5.149 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.441 4.925 8.651 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.362 5.604 7.309 1.00 0.00 H new ATOM 1040 N ALA A 70 7.875 -1.657 4.481 1.00 0.00 N ATOM 1041 CA ALA A 70 6.931 -2.688 4.086 1.00 0.00 C ATOM 1042 C ALA A 70 7.684 -3.999 3.849 1.00 0.00 C ATOM 1043 O ALA A 70 8.913 -4.011 3.790 1.00 0.00 O ATOM 1044 CB ALA A 70 6.161 -2.227 2.847 1.00 0.00 C ATOM 0 H ALA A 70 8.819 -1.779 4.114 1.00 0.00 H new ATOM 0 HA ALA A 70 6.202 -2.864 4.877 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.453 -3.000 2.550 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.621 -1.308 3.075 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.860 -2.043 2.031 1.00 0.00 H new ATOM 1050 N ARG A 71 6.916 -5.070 3.720 1.00 0.00 N ATOM 1051 CA ARG A 71 7.494 -6.383 3.492 1.00 0.00 C ATOM 1052 C ARG A 71 6.709 -7.129 2.411 1.00 0.00 C ATOM 1053 O ARG A 71 5.569 -7.534 2.635 1.00 0.00 O ATOM 1054 CB ARG A 71 7.498 -7.215 4.776 1.00 0.00 C ATOM 1055 CG ARG A 71 8.852 -7.128 5.482 1.00 0.00 C ATOM 1056 CD ARG A 71 9.180 -8.437 6.203 1.00 0.00 C ATOM 1057 NE ARG A 71 10.115 -9.243 5.388 1.00 0.00 N ATOM 1058 CZ ARG A 71 11.400 -8.924 5.183 1.00 0.00 C ATOM 1059 NH1 ARG A 71 11.911 -7.813 5.733 1.00 0.00 N ATOM 1060 NH2 ARG A 71 12.175 -9.715 4.429 1.00 0.00 N ATOM 0 H ARG A 71 5.897 -5.055 3.769 1.00 0.00 H new ATOM 0 HA ARG A 71 8.523 -6.239 3.164 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.712 -6.863 5.444 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.273 -8.255 4.540 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.632 -6.904 4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.840 -6.307 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.623 -8.225 7.176 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.265 -9.000 6.385 1.00 0.00 H new ATOM 0 HE ARG A 71 9.759 -10.095 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.321 -7.211 6.307 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.889 -7.570 5.577 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.787 -10.560 4.011 1.00 0.00 H new ATOM 0 HH22 ARG A 71 13.153 -9.472 4.273 1.00 0.00 H new ATOM 1074 N PHE A 72 7.349 -7.288 1.263 1.00 0.00 N ATOM 1075 CA PHE A 72 6.725 -7.978 0.147 1.00 0.00 C ATOM 1076 C PHE A 72 6.205 -9.352 0.574 1.00 0.00 C ATOM 1077 O PHE A 72 6.981 -10.294 0.724 1.00 0.00 O ATOM 1078 CB PHE A 72 7.802 -8.163 -0.924 1.00 0.00 C ATOM 1079 CG PHE A 72 7.731 -7.142 -2.061 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.838 -7.311 -3.073 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.561 -6.064 -2.059 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.773 -6.363 -4.128 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.495 -5.116 -3.115 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.602 -5.286 -4.127 1.00 0.00 C ATOM 0 H PHE A 72 8.294 -6.951 1.081 1.00 0.00 H new ATOM 0 HA PHE A 72 5.879 -7.398 -0.223 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.783 -8.099 -0.453 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.714 -9.165 -1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.178 -8.166 -3.074 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.270 -5.929 -1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.064 -6.498 -4.932 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.154 -4.260 -3.114 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.552 -4.565 -4.930 1.00 0.00 H new