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= -1.56 X(o=-1.6,f=-1.5) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0115 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= -0.0573 X(o=-0.057,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 37 GLN : amide:sc= -0.44 X(o=-0.44,f=-0.43) USER MOD Single : A 38 GLN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 46 GLN : amide:sc= -0.0226 X(o=-0.023,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.245 X(o=-0.25,f=-0.12) 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 1.636 -7.083 -3.120 1.00 0.00 N ATOM 230 CA GLN A 19 1.160 -6.516 -1.869 1.00 0.00 C ATOM 231 C GLN A 19 2.265 -6.560 -0.812 1.00 0.00 C ATOM 232 O GLN A 19 3.122 -7.442 -0.841 1.00 0.00 O ATOM 233 CB GLN A 19 -0.095 -7.243 -1.381 1.00 0.00 C ATOM 234 CG GLN A 19 -1.355 -6.437 -1.704 1.00 0.00 C ATOM 235 CD GLN A 19 -2.596 -7.093 -1.095 1.00 0.00 C ATOM 236 OE1 GLN A 19 -2.635 -7.444 0.073 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.606 -7.237 -1.949 1.00 0.00 N ATOM 0 HA GLN A 19 0.892 -5.474 -2.043 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.157 -8.225 -1.850 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.030 -7.407 -0.305 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.250 -5.422 -1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.474 -6.359 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.507 -6.921 -2.914 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.479 -7.663 -1.639 1.00 0.00 H new ATOM 246 N VAL A 20 2.208 -5.599 0.098 1.00 0.00 N ATOM 247 CA VAL A 20 3.193 -5.516 1.163 1.00 0.00 C ATOM 248 C VAL A 20 2.499 -5.107 2.463 1.00 0.00 C ATOM 249 O VAL A 20 1.486 -4.410 2.438 1.00 0.00 O ATOM 250 CB VAL A 20 4.320 -4.563 0.761 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.824 -4.873 -0.650 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.871 -3.105 0.875 1.00 0.00 C ATOM 0 H VAL A 20 1.494 -4.871 0.120 1.00 0.00 H new ATOM 0 HA VAL A 20 3.654 -6.489 1.333 1.00 0.00 H new ATOM 0 HB VAL A 20 5.149 -4.714 1.453 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.625 -4.181 -0.911 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.202 -5.895 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.005 -4.764 -1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.691 -2.448 0.584 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.018 -2.935 0.218 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.584 -2.892 1.905 1.00 0.00 H new ATOM 262 N GLU A 21 3.071 -5.558 3.570 1.00 0.00 N ATOM 263 CA GLU A 21 2.520 -5.247 4.878 1.00 0.00 C ATOM 264 C GLU A 21 3.441 -4.280 5.625 1.00 0.00 C ATOM 265 O GLU A 21 4.613 -4.580 5.848 1.00 0.00 O ATOM 266 CB GLU A 21 2.287 -6.522 5.691 1.00 0.00 C ATOM 267 CG GLU A 21 1.569 -6.210 7.006 1.00 0.00 C ATOM 268 CD GLU A 21 1.039 -7.488 7.658 1.00 0.00 C ATOM 269 OE1 GLU A 21 1.765 -8.503 7.591 1.00 0.00 O ATOM 270 OE2 GLU A 21 -0.081 -7.422 8.209 1.00 0.00 O ATOM 0 H GLU A 21 3.911 -6.137 3.588 1.00 0.00 H new ATOM 0 HA GLU A 21 1.554 -4.763 4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.695 -7.227 5.107 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.242 -7.004 5.899 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.254 -5.707 7.688 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.743 -5.523 6.820 1.00 0.00 H new ATOM 277 N ILE A 22 2.875 -3.140 5.993 1.00 0.00 N ATOM 278 CA ILE A 22 3.630 -2.127 6.711 1.00 0.00 C ATOM 279 C ILE A 22 4.008 -2.663 8.093 1.00 0.00 C ATOM 280 O ILE A 22 3.153 -3.156 8.827 1.00 0.00 O ATOM 281 CB ILE A 22 2.852 -0.810 6.754 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.381 -0.405 5.356 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.677 0.292 7.423 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.572 -0.149 4.429 1.00 0.00 C ATOM 0 H ILE A 22 1.902 -2.895 5.807 1.00 0.00 H new ATOM 0 HA ILE A 22 4.561 -1.904 6.190 1.00 0.00 H new ATOM 0 HB ILE A 22 1.960 -0.960 7.363 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.753 -1.191 4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.767 0.493 5.421 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.101 1.217 7.441 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.920 -0.004 8.444 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.598 0.448 6.862 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.210 0.137 3.442 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.185 0.654 4.838 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.171 -1.056 4.347 1.00 0.00 H new ATOM 296 N THR A 23 5.291 -2.550 8.405 1.00 0.00 N ATOM 297 CA THR A 23 5.793 -3.017 9.686 1.00 0.00 C ATOM 298 C THR A 23 5.712 -1.902 10.730 1.00 0.00 C ATOM 299 O THR A 23 5.668 -2.171 11.930 1.00 0.00 O ATOM 300 CB THR A 23 7.213 -3.547 9.473 1.00 0.00 C ATOM 301 OG1 THR A 23 7.945 -2.408 9.027 1.00 0.00 O ATOM 302 CG2 THR A 23 7.302 -4.528 8.302 1.00 0.00 C ATOM 0 H THR A 23 5.998 -2.142 7.793 1.00 0.00 H new ATOM 0 HA THR A 23 5.182 -3.830 10.077 1.00 0.00 H new ATOM 0 HB THR A 23 7.558 -4.036 10.384 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.878 -2.661 8.866 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.330 -4.874 8.194 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.650 -5.381 8.492 1.00 0.00 H new ATOM 0 HG23 THR A 23 6.989 -4.029 7.385 1.00 0.00 H new ATOM 310 N LYS A 24 5.693 -0.672 10.236 1.00 0.00 N ATOM 311 CA LYS A 24 5.618 0.485 11.111 1.00 0.00 C ATOM 312 C LYS A 24 4.900 1.624 10.383 1.00 0.00 C ATOM 313 O LYS A 24 4.998 1.744 9.163 1.00 0.00 O ATOM 314 CB LYS A 24 7.009 0.862 11.622 1.00 0.00 C ATOM 315 CG LYS A 24 7.936 1.237 10.463 1.00 0.00 C ATOM 316 CD LYS A 24 9.328 0.632 10.656 1.00 0.00 C ATOM 317 CE LYS A 24 10.156 0.742 9.375 1.00 0.00 C ATOM 318 NZ LYS A 24 11.320 1.631 9.585 1.00 0.00 N ATOM 0 H LYS A 24 5.728 -0.452 9.241 1.00 0.00 H new ATOM 0 HA LYS A 24 5.030 0.253 11.999 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.931 1.699 12.316 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.435 0.027 12.178 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.510 0.885 9.523 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.014 2.322 10.391 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.841 1.144 11.470 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.236 -0.415 10.945 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.497 -0.247 9.069 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.536 1.130 8.566 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.871 1.695 8.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.989 2.579 9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.919 1.245 10.342 1.00 0.00 H new ATOM 332 N ALA A 25 4.195 2.430 11.163 1.00 0.00 N ATOM 333 CA ALA A 25 3.462 3.555 10.607 1.00 0.00 C ATOM 334 C ALA A 25 4.425 4.452 9.828 1.00 0.00 C ATOM 335 O ALA A 25 5.513 4.766 10.309 1.00 0.00 O ATOM 336 CB ALA A 25 2.748 4.305 11.734 1.00 0.00 C ATOM 0 H ALA A 25 4.116 2.327 12.175 1.00 0.00 H new ATOM 0 HA ALA A 25 2.699 3.209 9.910 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.198 5.149 11.318 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.054 3.632 12.236 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.483 4.669 12.451 1.00 0.00 H new ATOM 342 N PHE A 26 3.991 4.840 8.638 1.00 0.00 N ATOM 343 CA PHE A 26 4.802 5.695 7.788 1.00 0.00 C ATOM 344 C PHE A 26 4.140 7.061 7.594 1.00 0.00 C ATOM 345 O PHE A 26 3.434 7.279 6.611 1.00 0.00 O ATOM 346 CB PHE A 26 4.914 4.999 6.430 1.00 0.00 C ATOM 347 CG PHE A 26 5.460 5.893 5.316 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.587 6.627 5.523 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.820 5.955 4.118 1.00 0.00 C ATOM 350 CE1 PHE A 26 7.094 7.457 4.488 1.00 0.00 C ATOM 351 CE2 PHE A 26 5.327 6.785 3.083 1.00 0.00 C ATOM 352 CZ PHE A 26 6.453 7.518 3.290 1.00 0.00 C ATOM 0 H PHE A 26 3.088 4.578 8.242 1.00 0.00 H new ATOM 0 HA PHE A 26 5.779 5.855 8.245 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.561 4.127 6.532 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.930 4.633 6.139 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.096 6.578 6.474 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.925 5.373 3.953 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.988 8.040 4.652 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.818 6.834 2.132 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.839 8.149 2.503 1.00 0.00 H new ATOM 362 N PHE A 27 4.393 7.946 8.548 1.00 0.00 N ATOM 363 CA PHE A 27 3.831 9.285 8.495 1.00 0.00 C ATOM 364 C PHE A 27 4.272 10.014 7.224 1.00 0.00 C ATOM 365 O PHE A 27 5.416 10.454 7.122 1.00 0.00 O ATOM 366 CB PHE A 27 4.361 10.042 9.714 1.00 0.00 C ATOM 367 CG PHE A 27 3.792 9.552 11.047 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.626 10.069 11.519 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.451 8.600 11.760 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.097 9.615 12.756 1.00 0.00 C ATOM 371 CE2 PHE A 27 3.922 8.146 12.997 1.00 0.00 C ATOM 372 CZ PHE A 27 2.757 8.663 13.469 1.00 0.00 C ATOM 0 H PHE A 27 4.980 7.762 9.362 1.00 0.00 H new ATOM 0 HA PHE A 27 2.742 9.232 8.492 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.447 9.953 9.740 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.130 11.101 9.600 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.102 10.825 10.953 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.377 8.189 11.385 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.171 10.025 13.131 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.445 7.390 13.563 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.355 8.318 14.410 1.00 0.00 H new ATOM 382 N ALA A 28 3.341 10.121 6.288 1.00 0.00 N ATOM 383 CA ALA A 28 3.619 10.789 5.028 1.00 0.00 C ATOM 384 C ALA A 28 3.963 12.255 5.299 1.00 0.00 C ATOM 385 O ALA A 28 3.271 12.928 6.062 1.00 0.00 O ATOM 386 CB ALA A 28 2.419 10.635 4.092 1.00 0.00 C ATOM 0 H ALA A 28 2.393 9.756 6.377 1.00 0.00 H new ATOM 0 HA ALA A 28 4.478 10.334 4.534 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.628 11.136 3.147 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.234 9.577 3.908 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.538 11.082 4.553 1.00 0.00 H new ATOM 392 N LYS A 29 5.031 12.708 4.659 1.00 0.00 N ATOM 393 CA LYS A 29 5.475 14.082 4.822 1.00 0.00 C ATOM 394 C LYS A 29 5.170 14.866 3.544 1.00 0.00 C ATOM 395 O LYS A 29 4.868 16.057 3.599 1.00 0.00 O ATOM 396 CB LYS A 29 6.948 14.124 5.233 1.00 0.00 C ATOM 397 CG LYS A 29 7.860 13.863 4.033 1.00 0.00 C ATOM 398 CD LYS A 29 8.540 15.153 3.570 1.00 0.00 C ATOM 399 CE LYS A 29 10.059 15.062 3.733 1.00 0.00 C ATOM 400 NZ LYS A 29 10.708 16.298 3.245 1.00 0.00 N ATOM 0 H LYS A 29 5.602 12.148 4.026 1.00 0.00 H new ATOM 0 HA LYS A 29 4.929 14.566 5.632 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.181 15.097 5.666 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.135 13.378 6.005 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.616 13.125 4.300 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.278 13.441 3.214 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.294 15.343 2.525 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.159 15.996 4.146 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.309 14.903 4.782 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.439 14.202 3.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.738 16.219 3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.484 16.433 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.359 17.112 3.790 1.00 0.00 H new ATOM 414 N GLN A 30 5.261 14.166 2.422 1.00 0.00 N ATOM 415 CA GLN A 30 4.999 14.782 1.133 1.00 0.00 C ATOM 416 C GLN A 30 3.514 14.671 0.783 1.00 0.00 C ATOM 417 O GLN A 30 2.721 14.171 1.580 1.00 0.00 O ATOM 418 CB GLN A 30 5.868 14.156 0.040 1.00 0.00 C ATOM 419 CG GLN A 30 7.239 14.833 -0.026 1.00 0.00 C ATOM 420 CD GLN A 30 7.917 14.569 -1.371 1.00 0.00 C ATOM 421 OE1 GLN A 30 8.854 13.796 -1.482 1.00 0.00 O ATOM 422 NE2 GLN A 30 7.393 15.252 -2.385 1.00 0.00 N ATOM 0 H GLN A 30 5.513 13.178 2.380 1.00 0.00 H new ATOM 0 HA GLN A 30 5.259 15.839 1.198 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.993 13.091 0.236 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.367 14.246 -0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.126 15.907 0.124 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.870 14.463 0.782 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.608 15.883 -2.223 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.776 15.144 -3.324 1.00 0.00 H new ATOM 431 N ALA A 31 3.182 15.145 -0.409 1.00 0.00 N ATOM 432 CA ALA A 31 1.806 15.104 -0.873 1.00 0.00 C ATOM 433 C ALA A 31 1.619 13.900 -1.798 1.00 0.00 C ATOM 434 O ALA A 31 0.518 13.652 -2.286 1.00 0.00 O ATOM 435 CB ALA A 31 1.460 16.426 -1.562 1.00 0.00 C ATOM 0 H ALA A 31 3.842 15.559 -1.067 1.00 0.00 H new ATOM 0 HA ALA A 31 1.122 14.984 -0.033 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.428 16.395 -1.910 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.580 17.247 -0.855 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.125 16.578 -2.412 1.00 0.00 H new ATOM 441 N ASP A 32 2.712 13.181 -2.009 1.00 0.00 N ATOM 442 CA ASP A 32 2.683 12.008 -2.866 1.00 0.00 C ATOM 443 C ASP A 32 2.672 10.748 -1.998 1.00 0.00 C ATOM 444 O ASP A 32 2.274 9.678 -2.456 1.00 0.00 O ATOM 445 CB ASP A 32 3.919 11.952 -3.765 1.00 0.00 C ATOM 446 CG ASP A 32 5.196 12.523 -3.146 1.00 0.00 C ATOM 447 OD1 ASP A 32 5.467 12.169 -1.978 1.00 0.00 O ATOM 448 OD2 ASP A 32 5.872 13.300 -3.854 1.00 0.00 O ATOM 0 H ASP A 32 3.624 13.388 -1.601 1.00 0.00 H new ATOM 0 HA ASP A 32 1.789 12.066 -3.486 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.101 10.914 -4.043 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.705 12.495 -4.685 1.00 0.00 H new ATOM 453 N GLU A 33 3.113 10.917 -0.760 1.00 0.00 N ATOM 454 CA GLU A 33 3.158 9.807 0.176 1.00 0.00 C ATOM 455 C GLU A 33 1.775 9.567 0.784 1.00 0.00 C ATOM 456 O GLU A 33 0.811 10.243 0.427 1.00 0.00 O ATOM 457 CB GLU A 33 4.202 10.053 1.268 1.00 0.00 C ATOM 458 CG GLU A 33 5.594 10.241 0.663 1.00 0.00 C ATOM 459 CD GLU A 33 6.460 11.138 1.549 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.025 11.398 2.692 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.539 11.544 1.065 1.00 0.00 O ATOM 0 H GLU A 33 3.442 11.806 -0.384 1.00 0.00 H new ATOM 0 HA GLU A 33 3.453 8.910 -0.369 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.929 10.937 1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.213 9.212 1.961 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.075 9.271 0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.506 10.681 -0.331 1.00 0.00 H new ATOM 468 N VAL A 34 1.721 8.603 1.691 1.00 0.00 N ATOM 469 CA VAL A 34 0.471 8.267 2.352 1.00 0.00 C ATOM 470 C VAL A 34 0.771 7.684 3.734 1.00 0.00 C ATOM 471 O VAL A 34 1.610 6.794 3.868 1.00 0.00 O ATOM 472 CB VAL A 34 -0.349 7.322 1.470 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.504 6.149 0.982 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.594 6.827 2.208 1.00 0.00 C ATOM 0 H VAL A 34 2.522 8.044 1.984 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.135 9.161 2.500 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.679 7.881 0.595 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.103 5.493 0.358 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.345 6.528 0.401 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.878 5.590 1.839 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.159 6.157 1.560 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.294 6.292 3.109 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.217 7.678 2.482 1.00 0.00 H new ATOM 484 N THR A 35 0.069 8.209 4.727 1.00 0.00 N ATOM 485 CA THR A 35 0.250 7.752 6.095 1.00 0.00 C ATOM 486 C THR A 35 -0.227 6.306 6.241 1.00 0.00 C ATOM 487 O THR A 35 -1.315 5.958 5.785 1.00 0.00 O ATOM 488 CB THR A 35 -0.479 8.729 7.020 1.00 0.00 C ATOM 489 OG1 THR A 35 0.158 9.980 6.774 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.199 8.454 8.499 1.00 0.00 C ATOM 0 H THR A 35 -0.626 8.946 4.612 1.00 0.00 H new ATOM 0 HA THR A 35 1.304 7.743 6.373 1.00 0.00 H new ATOM 0 HB THR A 35 -1.552 8.671 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.254 10.672 7.332 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.740 9.175 9.112 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.528 7.445 8.750 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.870 8.545 8.690 1.00 0.00 H new ATOM 498 N LEU A 36 0.610 5.502 6.880 1.00 0.00 N ATOM 499 CA LEU A 36 0.287 4.101 7.092 1.00 0.00 C ATOM 500 C LEU A 36 0.455 3.763 8.575 1.00 0.00 C ATOM 501 O LEU A 36 0.955 4.578 9.348 1.00 0.00 O ATOM 502 CB LEU A 36 1.115 3.213 6.161 1.00 0.00 C ATOM 503 CG LEU A 36 1.274 3.713 4.723 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.526 3.121 4.072 1.00 0.00 C ATOM 505 CD2 LEU A 36 0.014 3.432 3.903 1.00 0.00 C ATOM 0 H LEU A 36 1.511 5.794 7.258 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.755 3.907 6.836 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.108 3.092 6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.657 2.224 6.132 1.00 0.00 H new ATOM 0 HG LEU A 36 1.406 4.795 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.615 3.492 3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.407 3.415 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.449 2.034 4.057 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.153 3.797 2.885 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.174 2.359 3.881 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.837 3.940 4.357 1.00 0.00 H new ATOM 517 N GLN A 37 0.028 2.559 8.926 1.00 0.00 N ATOM 518 CA GLN A 37 0.125 2.102 10.302 1.00 0.00 C ATOM 519 C GLN A 37 0.874 0.770 10.368 1.00 0.00 C ATOM 520 O GLN A 37 1.250 0.213 9.337 1.00 0.00 O ATOM 521 CB GLN A 37 -1.261 1.984 10.939 1.00 0.00 C ATOM 522 CG GLN A 37 -1.798 3.359 11.343 1.00 0.00 C ATOM 523 CD GLN A 37 -0.895 4.014 12.390 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.672 3.492 13.469 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.389 5.185 12.011 1.00 0.00 N ATOM 0 H GLN A 37 -0.386 1.886 8.281 1.00 0.00 H new ATOM 0 HA GLN A 37 0.689 2.841 10.871 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.949 1.513 10.237 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.208 1.338 11.816 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.866 4.000 10.464 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.808 3.257 11.741 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.617 5.566 11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.226 5.702 12.639 1.00 0.00 H new ATOM 534 N GLN A 38 1.069 0.297 11.590 1.00 0.00 N ATOM 535 CA GLN A 38 1.766 -0.960 11.804 1.00 0.00 C ATOM 536 C GLN A 38 0.868 -2.138 11.420 1.00 0.00 C ATOM 537 O GLN A 38 -0.268 -2.233 11.882 1.00 0.00 O ATOM 538 CB GLN A 38 2.242 -1.083 13.253 1.00 0.00 C ATOM 539 CG GLN A 38 2.917 -2.435 13.495 1.00 0.00 C ATOM 540 CD GLN A 38 3.599 -2.470 14.864 1.00 0.00 C ATOM 541 OE1 GLN A 38 2.973 -2.666 15.893 1.00 0.00 O ATOM 542 NE2 GLN A 38 4.913 -2.268 14.819 1.00 0.00 N ATOM 0 H GLN A 38 0.756 0.762 12.442 1.00 0.00 H new ATOM 0 HA GLN A 38 2.648 -0.977 11.163 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.941 -0.278 13.480 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.395 -0.969 13.929 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.176 -3.232 13.434 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.653 -2.623 12.713 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.374 -2.110 13.923 1.00 0.00 H new ATOM 0 HE22 GLN A 38 5.459 -2.271 15.680 1.00 0.00 H new ATOM 551 N ALA A 39 1.411 -3.005 10.578 1.00 0.00 N ATOM 552 CA ALA A 39 0.674 -4.172 10.127 1.00 0.00 C ATOM 553 C ALA A 39 -0.448 -3.729 9.186 1.00 0.00 C ATOM 554 O ALA A 39 -1.561 -4.248 9.253 1.00 0.00 O ATOM 555 CB ALA A 39 0.147 -4.944 11.339 1.00 0.00 C ATOM 0 H ALA A 39 2.353 -2.922 10.196 1.00 0.00 H new ATOM 0 HA ALA A 39 1.326 -4.845 9.570 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.406 -5.820 11.000 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.984 -5.262 11.960 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.513 -4.301 11.921 1.00 0.00 H new ATOM 561 N ASP A 40 -0.116 -2.773 8.330 1.00 0.00 N ATOM 562 CA ASP A 40 -1.082 -2.254 7.377 1.00 0.00 C ATOM 563 C ASP A 40 -0.783 -2.828 5.990 1.00 0.00 C ATOM 564 O ASP A 40 0.356 -2.784 5.529 1.00 0.00 O ATOM 565 CB ASP A 40 -1.000 -0.729 7.284 1.00 0.00 C ATOM 566 CG ASP A 40 -1.781 0.027 8.361 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.976 -0.568 9.443 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.164 1.183 8.079 1.00 0.00 O ATOM 0 H ASP A 40 0.808 -2.345 8.277 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.077 -2.542 7.716 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.047 -0.432 7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.367 -0.419 6.305 1.00 0.00 H new ATOM 573 N VAL A 41 -1.826 -3.354 5.365 1.00 0.00 N ATOM 574 CA VAL A 41 -1.690 -3.936 4.041 1.00 0.00 C ATOM 575 C VAL A 41 -1.947 -2.859 2.986 1.00 0.00 C ATOM 576 O VAL A 41 -2.894 -2.083 3.103 1.00 0.00 O ATOM 577 CB VAL A 41 -2.620 -5.143 3.902 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.384 -5.866 2.574 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.457 -6.100 5.084 1.00 0.00 C ATOM 0 H VAL A 41 -2.769 -3.389 5.751 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.676 -4.305 3.888 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.647 -4.777 3.907 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.057 -6.720 2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.575 -5.181 1.748 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.352 -6.213 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.129 -6.949 4.960 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.427 -6.455 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.698 -5.578 6.010 1.00 0.00 H new ATOM 589 N VAL A 42 -1.085 -2.844 1.979 1.00 0.00 N ATOM 590 CA VAL A 42 -1.207 -1.874 0.904 1.00 0.00 C ATOM 591 C VAL A 42 -1.099 -2.595 -0.442 1.00 0.00 C ATOM 592 O VAL A 42 -0.188 -3.395 -0.650 1.00 0.00 O ATOM 593 CB VAL A 42 -0.163 -0.769 1.075 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.060 0.088 -0.188 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.474 0.094 2.300 1.00 0.00 C ATOM 0 H VAL A 42 -0.300 -3.488 1.885 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.183 -1.389 0.936 1.00 0.00 H new ATOM 0 HB VAL A 42 0.805 -1.244 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.689 0.866 -0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.230 -0.539 -1.031 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.026 0.549 -0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.283 0.872 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.454 0.555 2.181 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.473 -0.529 3.194 1.00 0.00 H new ATOM 605 N LEU A 43 -2.042 -2.286 -1.320 1.00 0.00 N ATOM 606 CA LEU A 43 -2.065 -2.894 -2.639 1.00 0.00 C ATOM 607 C LEU A 43 -1.177 -2.082 -3.585 1.00 0.00 C ATOM 608 O LEU A 43 -1.522 -0.963 -3.959 1.00 0.00 O ATOM 609 CB LEU A 43 -3.504 -3.052 -3.132 1.00 0.00 C ATOM 610 CG LEU A 43 -3.673 -3.648 -4.530 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.688 -5.177 -4.476 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.918 -3.087 -5.219 1.00 0.00 C ATOM 0 H LEU A 43 -2.796 -1.622 -1.143 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.654 -3.903 -2.600 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.043 -3.681 -2.423 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.982 -2.072 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.813 -3.355 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.809 -5.575 -5.483 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.749 -5.535 -4.055 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.517 -5.511 -3.851 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.014 -3.527 -6.211 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.801 -3.329 -4.628 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.827 -2.005 -5.310 1.00 0.00 H new ATOM 624 N VAL A 44 -0.050 -2.679 -3.944 1.00 0.00 N ATOM 625 CA VAL A 44 0.890 -2.026 -4.839 1.00 0.00 C ATOM 626 C VAL A 44 0.207 -1.756 -6.181 1.00 0.00 C ATOM 627 O VAL A 44 -0.536 -2.598 -6.684 1.00 0.00 O ATOM 628 CB VAL A 44 2.159 -2.870 -4.973 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.122 -2.256 -5.991 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.841 -3.055 -3.616 1.00 0.00 C ATOM 0 H VAL A 44 0.233 -3.608 -3.631 1.00 0.00 H new ATOM 0 HA VAL A 44 1.198 -1.063 -4.432 1.00 0.00 H new ATOM 0 HB VAL A 44 1.868 -3.855 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.015 -2.876 -6.067 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.635 -2.201 -6.965 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.402 -1.253 -5.668 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.740 -3.659 -3.740 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.111 -2.081 -3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.158 -3.558 -2.931 1.00 0.00 H new ATOM 640 N LEU A 45 0.483 -0.580 -6.724 1.00 0.00 N ATOM 641 CA LEU A 45 -0.096 -0.189 -7.998 1.00 0.00 C ATOM 642 C LEU A 45 1.027 0.097 -8.997 1.00 0.00 C ATOM 643 O LEU A 45 0.934 -0.277 -10.166 1.00 0.00 O ATOM 644 CB LEU A 45 -1.064 0.980 -7.811 1.00 0.00 C ATOM 645 CG LEU A 45 -2.402 0.644 -7.150 1.00 0.00 C ATOM 646 CD1 LEU A 45 -3.018 1.882 -6.495 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.358 -0.011 -8.149 1.00 0.00 C ATOM 0 H LEU A 45 1.100 0.115 -6.305 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.692 -1.003 -8.411 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.568 1.744 -7.213 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.264 1.420 -8.788 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.218 -0.081 -6.357 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.968 1.614 -6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.340 2.266 -5.733 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.186 2.649 -7.252 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.302 -0.240 -7.653 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.540 0.671 -8.979 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.914 -0.932 -8.527 1.00 0.00 H new ATOM 659 N GLN A 46 2.064 0.757 -8.501 1.00 0.00 N ATOM 660 CA GLN A 46 3.203 1.097 -9.336 1.00 0.00 C ATOM 661 C GLN A 46 4.506 0.917 -8.555 1.00 0.00 C ATOM 662 O GLN A 46 4.723 1.579 -7.541 1.00 0.00 O ATOM 663 CB GLN A 46 3.081 2.523 -9.876 1.00 0.00 C ATOM 664 CG GLN A 46 2.531 2.523 -11.304 1.00 0.00 C ATOM 665 CD GLN A 46 1.316 3.446 -11.423 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.376 4.633 -11.148 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.213 2.835 -11.847 1.00 0.00 N ATOM 0 H GLN A 46 2.139 1.065 -7.532 1.00 0.00 H new ATOM 0 HA GLN A 46 3.217 0.420 -10.190 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.425 3.106 -9.230 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.057 3.007 -9.858 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.308 2.847 -11.997 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.251 1.509 -11.590 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.232 1.838 -12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.652 3.364 -11.959 1.00 0.00 H new ATOM 676 N GLN A 47 5.339 0.016 -9.055 1.00 0.00 N ATOM 677 CA GLN A 47 6.615 -0.260 -8.417 1.00 0.00 C ATOM 678 C GLN A 47 7.728 0.555 -9.079 1.00 0.00 C ATOM 679 O GLN A 47 8.028 0.361 -10.256 1.00 0.00 O ATOM 680 CB GLN A 47 6.935 -1.755 -8.454 1.00 0.00 C ATOM 681 CG GLN A 47 6.385 -2.465 -7.215 1.00 0.00 C ATOM 682 CD GLN A 47 6.983 -3.866 -7.074 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.290 -4.869 -7.088 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.306 -3.878 -6.939 1.00 0.00 N ATOM 0 H GLN A 47 5.155 -0.533 -9.895 1.00 0.00 H new ATOM 0 HA GLN A 47 6.547 0.038 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.507 -2.200 -9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.014 -1.898 -8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.611 -1.878 -6.325 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.299 -2.534 -7.283 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.826 -3.001 -6.936 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.800 -4.765 -6.839 1.00 0.00 H new ATOM 693 N GLU A 48 8.309 1.451 -8.295 1.00 0.00 N ATOM 694 CA GLU A 48 9.381 2.296 -8.790 1.00 0.00 C ATOM 695 C GLU A 48 10.616 2.166 -7.897 1.00 0.00 C ATOM 696 O GLU A 48 10.579 2.533 -6.723 1.00 0.00 O ATOM 697 CB GLU A 48 8.929 3.755 -8.890 1.00 0.00 C ATOM 698 CG GLU A 48 9.561 4.443 -10.102 1.00 0.00 C ATOM 699 CD GLU A 48 9.727 5.944 -9.855 1.00 0.00 C ATOM 700 OE1 GLU A 48 10.139 6.291 -8.727 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.437 6.710 -10.799 1.00 0.00 O ATOM 0 H GLU A 48 8.057 1.610 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 48 9.645 1.962 -9.793 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.843 3.798 -8.968 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.205 4.288 -7.980 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.532 3.996 -10.313 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.938 4.282 -10.982 1.00 0.00 H new ATOM 708 N ASP A 49 11.681 1.641 -8.486 1.00 0.00 N ATOM 709 CA ASP A 49 12.925 1.458 -7.758 1.00 0.00 C ATOM 710 C ASP A 49 13.163 2.666 -6.850 1.00 0.00 C ATOM 711 O ASP A 49 13.566 3.730 -7.319 1.00 0.00 O ATOM 712 CB ASP A 49 14.112 1.345 -8.716 1.00 0.00 C ATOM 713 CG ASP A 49 15.165 0.307 -8.322 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.815 -0.575 -7.508 1.00 0.00 O ATOM 715 OD2 ASP A 49 16.296 0.419 -8.842 1.00 0.00 O ATOM 0 H ASP A 49 11.708 1.337 -9.459 1.00 0.00 H new ATOM 0 HA ASP A 49 12.843 0.540 -7.176 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.736 1.100 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.594 2.320 -8.790 1.00 0.00 H new ATOM 720 N GLY A 50 12.903 2.463 -5.567 1.00 0.00 N ATOM 721 CA GLY A 50 13.083 3.522 -4.589 1.00 0.00 C ATOM 722 C GLY A 50 11.819 3.715 -3.749 1.00 0.00 C ATOM 723 O GLY A 50 11.897 3.875 -2.532 1.00 0.00 O ATOM 0 H GLY A 50 12.569 1.580 -5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.923 3.281 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.331 4.453 -5.098 1.00 0.00 H new ATOM 727 N TRP A 51 10.684 3.692 -4.432 1.00 0.00 N ATOM 728 CA TRP A 51 9.405 3.862 -3.764 1.00 0.00 C ATOM 729 C TRP A 51 8.401 2.908 -4.415 1.00 0.00 C ATOM 730 O TRP A 51 8.466 2.660 -5.618 1.00 0.00 O ATOM 731 CB TRP A 51 8.955 5.323 -3.806 1.00 0.00 C ATOM 732 CG TRP A 51 9.713 6.236 -2.840 1.00 0.00 C ATOM 733 CD1 TRP A 51 10.982 6.658 -2.927 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.194 6.826 -1.629 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.318 7.474 -1.866 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.196 7.579 -1.051 1.00 0.00 C ATOM 737 CE3 TRP A 51 7.921 6.727 -1.041 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.029 8.291 0.143 1.00 0.00 C ATOM 739 CZ3 TRP A 51 7.770 7.444 0.152 1.00 0.00 C ATOM 740 CH2 TRP A 51 8.769 8.207 0.746 1.00 0.00 C ATOM 0 H TRP A 51 10.624 3.558 -5.441 1.00 0.00 H new ATOM 0 HA TRP A 51 9.486 3.613 -2.706 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.079 5.702 -4.821 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.891 5.371 -3.576 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.657 6.393 -3.727 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.223 7.918 -1.709 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.122 6.144 -1.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.829 8.873 0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.810 7.401 0.645 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.573 8.733 1.669 1.00 0.00 H new ATOM 751 N LEU A 52 7.497 2.399 -3.591 1.00 0.00 N ATOM 752 CA LEU A 52 6.481 1.478 -4.071 1.00 0.00 C ATOM 753 C LEU A 52 5.098 2.101 -3.870 1.00 0.00 C ATOM 754 O LEU A 52 4.697 2.380 -2.741 1.00 0.00 O ATOM 755 CB LEU A 52 6.642 0.109 -3.406 1.00 0.00 C ATOM 756 CG LEU A 52 8.079 -0.373 -3.203 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.779 -0.592 -4.546 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.857 0.586 -2.301 1.00 0.00 C ATOM 0 H LEU A 52 7.447 2.607 -2.594 1.00 0.00 H new ATOM 0 HA LEU A 52 6.600 1.303 -5.140 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.149 0.139 -2.434 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.114 -0.630 -4.009 1.00 0.00 H new ATOM 0 HG LEU A 52 8.047 -1.337 -2.696 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.799 -0.934 -4.373 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.237 -1.343 -5.121 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.800 0.345 -5.102 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.876 0.220 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.882 1.575 -2.758 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.369 0.647 -1.328 1.00 0.00 H new ATOM 770 N TYR A 53 4.407 2.301 -4.983 1.00 0.00 N ATOM 771 CA TYR A 53 3.078 2.885 -4.943 1.00 0.00 C ATOM 772 C TYR A 53 2.006 1.802 -4.801 1.00 0.00 C ATOM 773 O TYR A 53 2.132 0.721 -5.374 1.00 0.00 O ATOM 774 CB TYR A 53 2.890 3.598 -6.284 1.00 0.00 C ATOM 775 CG TYR A 53 1.623 4.453 -6.362 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.484 5.557 -5.546 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.620 4.119 -7.250 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.291 6.361 -5.620 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.572 4.923 -7.324 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.678 6.004 -6.505 1.00 0.00 C ATOM 781 OH TYR A 53 -1.804 6.764 -6.575 1.00 0.00 O ATOM 0 H TYR A 53 4.743 2.069 -5.918 1.00 0.00 H new ATOM 0 HA TYR A 53 2.982 3.560 -4.093 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.756 4.233 -6.471 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.863 2.853 -7.079 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.269 5.818 -4.852 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.730 3.255 -7.889 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.169 7.228 -4.987 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.364 4.673 -8.014 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.408 6.392 -7.251 1.00 0.00 H new ATOM 791 N GLY A 54 0.977 2.130 -4.034 1.00 0.00 N ATOM 792 CA GLY A 54 -0.116 1.199 -3.809 1.00 0.00 C ATOM 793 C GLY A 54 -1.316 1.905 -3.176 1.00 0.00 C ATOM 794 O GLY A 54 -1.313 3.125 -3.020 1.00 0.00 O ATOM 0 H GLY A 54 0.877 3.028 -3.560 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.413 0.746 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.219 0.390 -3.160 1.00 0.00 H new ATOM 798 N GLU A 55 -2.315 1.107 -2.828 1.00 0.00 N ATOM 799 CA GLU A 55 -3.520 1.640 -2.215 1.00 0.00 C ATOM 800 C GLU A 55 -3.782 0.953 -0.873 1.00 0.00 C ATOM 801 O GLU A 55 -4.030 -0.251 -0.826 1.00 0.00 O ATOM 802 CB GLU A 55 -4.722 1.493 -3.150 1.00 0.00 C ATOM 803 CG GLU A 55 -6.026 1.832 -2.424 1.00 0.00 C ATOM 804 CD GLU A 55 -6.895 0.586 -2.246 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.516 0.178 -3.251 1.00 0.00 O ATOM 806 OE2 GLU A 55 -6.918 0.069 -1.108 1.00 0.00 O ATOM 0 H GLU A 55 -2.315 0.095 -2.959 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.371 2.704 -2.033 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.600 2.150 -4.011 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.768 0.473 -3.531 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.802 2.265 -1.449 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.575 2.585 -2.989 1.00 0.00 H new ATOM 813 N ARG A 56 -3.716 1.748 0.185 1.00 0.00 N ATOM 814 CA ARG A 56 -3.943 1.231 1.524 1.00 0.00 C ATOM 815 C ARG A 56 -5.352 0.644 1.635 1.00 0.00 C ATOM 816 O ARG A 56 -6.334 1.383 1.680 1.00 0.00 O ATOM 817 CB ARG A 56 -3.772 2.330 2.575 1.00 0.00 C ATOM 818 CG ARG A 56 -3.562 1.730 3.967 1.00 0.00 C ATOM 819 CD ARG A 56 -3.239 2.820 4.991 1.00 0.00 C ATOM 820 NE ARG A 56 -4.309 3.842 4.997 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.365 4.865 5.860 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.414 5.009 6.792 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.374 5.745 5.791 1.00 0.00 N ATOM 0 H ARG A 56 -3.509 2.746 0.142 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.205 0.450 1.707 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.921 2.959 2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.653 2.972 2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.459 1.192 4.274 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.750 1.004 3.935 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.139 2.380 5.983 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.283 3.284 4.751 1.00 0.00 H new ATOM 0 HE ARG A 56 -5.050 3.763 4.301 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.646 4.339 6.845 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.457 5.788 7.449 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -6.099 5.635 5.082 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.417 6.524 6.448 1.00 0.00 H new ATOM 837 N LEU A 57 -5.405 -0.679 1.677 1.00 0.00 N ATOM 838 CA LEU A 57 -6.677 -1.374 1.782 1.00 0.00 C ATOM 839 C LEU A 57 -7.441 -0.848 2.999 1.00 0.00 C ATOM 840 O LEU A 57 -8.667 -0.936 3.051 1.00 0.00 O ATOM 841 CB LEU A 57 -6.460 -2.889 1.799 1.00 0.00 C ATOM 842 CG LEU A 57 -5.935 -3.506 0.501 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.709 -2.979 -0.709 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.428 -3.284 0.359 1.00 0.00 C ATOM 0 H LEU A 57 -4.588 -1.288 1.640 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.294 -1.174 0.906 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.760 -3.127 2.600 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.406 -3.369 2.049 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.099 -4.583 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.316 -3.433 -1.618 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.764 -3.231 -0.604 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.599 -1.896 -0.768 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.080 -3.732 -0.572 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.217 -2.215 0.348 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.911 -3.747 1.200 1.00 0.00 H new ATOM 856 N ARG A 58 -6.686 -0.314 3.947 1.00 0.00 N ATOM 857 CA ARG A 58 -7.277 0.226 5.159 1.00 0.00 C ATOM 858 C ARG A 58 -8.515 1.059 4.821 1.00 0.00 C ATOM 859 O ARG A 58 -9.632 0.692 5.183 1.00 0.00 O ATOM 860 CB ARG A 58 -6.275 1.098 5.919 1.00 0.00 C ATOM 861 CG ARG A 58 -6.858 1.566 7.254 1.00 0.00 C ATOM 862 CD ARG A 58 -5.940 2.590 7.924 1.00 0.00 C ATOM 863 NE ARG A 58 -6.746 3.577 8.677 1.00 0.00 N ATOM 864 CZ ARG A 58 -6.242 4.422 9.587 1.00 0.00 C ATOM 865 NH1 ARG A 58 -4.931 4.405 9.863 1.00 0.00 N ATOM 866 NH2 ARG A 58 -7.050 5.283 10.221 1.00 0.00 N ATOM 0 H ARG A 58 -5.669 -0.244 3.900 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.563 -0.614 5.791 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.358 0.535 6.096 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.006 1.963 5.312 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.842 2.006 7.091 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -6.997 0.710 7.914 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.248 2.084 8.597 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.338 3.099 7.171 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.748 3.617 8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.317 3.749 9.381 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.547 5.048 10.556 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.048 5.295 10.011 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.667 5.926 10.914 1.00 0.00 H new ATOM 880 N ASP A 59 -8.275 2.164 4.131 1.00 0.00 N ATOM 881 CA ASP A 59 -9.356 3.052 3.740 1.00 0.00 C ATOM 882 C ASP A 59 -9.448 3.095 2.213 1.00 0.00 C ATOM 883 O ASP A 59 -10.514 3.360 1.660 1.00 0.00 O ATOM 884 CB ASP A 59 -9.107 4.476 4.239 1.00 0.00 C ATOM 885 CG ASP A 59 -10.040 4.941 5.360 1.00 0.00 C ATOM 886 OD1 ASP A 59 -10.489 4.061 6.125 1.00 0.00 O ATOM 887 OD2 ASP A 59 -10.281 6.166 5.425 1.00 0.00 O ATOM 0 H ASP A 59 -7.347 2.465 3.833 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.279 2.673 4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.078 4.547 4.591 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.204 5.162 3.398 1.00 0.00 H new ATOM 892 N GLY A 60 -8.317 2.831 1.577 1.00 0.00 N ATOM 893 CA GLY A 60 -8.257 2.836 0.125 1.00 0.00 C ATOM 894 C GLY A 60 -7.403 3.999 -0.384 1.00 0.00 C ATOM 895 O GLY A 60 -7.486 4.369 -1.554 1.00 0.00 O ATOM 0 H GLY A 60 -7.435 2.612 2.040 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.841 1.893 -0.229 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.264 2.913 -0.284 1.00 0.00 H new ATOM 899 N GLU A 61 -6.601 4.543 0.520 1.00 0.00 N ATOM 900 CA GLU A 61 -5.733 5.656 0.177 1.00 0.00 C ATOM 901 C GLU A 61 -4.596 5.183 -0.730 1.00 0.00 C ATOM 902 O GLU A 61 -3.908 4.213 -0.415 1.00 0.00 O ATOM 903 CB GLU A 61 -5.185 6.332 1.436 1.00 0.00 C ATOM 904 CG GLU A 61 -5.571 7.812 1.476 1.00 0.00 C ATOM 905 CD GLU A 61 -4.435 8.659 2.053 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.028 8.359 3.197 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.999 9.588 1.339 1.00 0.00 O ATOM 0 H GLU A 61 -6.534 4.233 1.490 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.321 6.396 -0.366 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.572 5.828 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.100 6.235 1.462 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.811 8.156 0.470 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.469 7.941 2.080 1.00 0.00 H new ATOM 914 N THR A 62 -4.433 5.890 -1.839 1.00 0.00 N ATOM 915 CA THR A 62 -3.391 5.554 -2.794 1.00 0.00 C ATOM 916 C THR A 62 -2.265 6.589 -2.741 1.00 0.00 C ATOM 917 O THR A 62 -2.465 7.747 -3.102 1.00 0.00 O ATOM 918 CB THR A 62 -4.037 5.429 -4.175 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.362 4.981 -3.899 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.427 4.300 -5.007 1.00 0.00 C ATOM 0 H THR A 62 -5.005 6.694 -2.097 1.00 0.00 H new ATOM 0 HA THR A 62 -2.924 4.600 -2.550 1.00 0.00 H new ATOM 0 HB THR A 62 -3.932 6.372 -4.712 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.853 4.875 -4.740 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.922 4.255 -5.977 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.363 4.488 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.561 3.351 -4.487 1.00 0.00 H new ATOM 928 N GLY A 63 -1.106 6.133 -2.289 1.00 0.00 N ATOM 929 CA GLY A 63 0.051 7.005 -2.184 1.00 0.00 C ATOM 930 C GLY A 63 1.344 6.235 -2.461 1.00 0.00 C ATOM 931 O GLY A 63 1.306 5.059 -2.820 1.00 0.00 O ATOM 0 H GLY A 63 -0.944 5.171 -1.991 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.045 7.829 -2.891 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.091 7.444 -1.187 1.00 0.00 H new ATOM 935 N TRP A 64 2.458 6.930 -2.285 1.00 0.00 N ATOM 936 CA TRP A 64 3.761 6.327 -2.512 1.00 0.00 C ATOM 937 C TRP A 64 4.306 5.858 -1.162 1.00 0.00 C ATOM 938 O TRP A 64 4.511 6.666 -0.257 1.00 0.00 O ATOM 939 CB TRP A 64 4.698 7.300 -3.230 1.00 0.00 C ATOM 940 CG TRP A 64 4.452 7.404 -4.737 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.704 8.304 -5.390 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.988 6.536 -5.757 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.719 8.081 -6.752 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.525 6.971 -6.982 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.836 5.420 -5.649 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.855 6.349 -8.192 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.157 4.809 -6.867 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.699 5.235 -8.109 1.00 0.00 C ATOM 0 H TRP A 64 2.486 7.905 -1.988 1.00 0.00 H new ATOM 0 HA TRP A 64 3.677 5.464 -3.172 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.588 8.289 -2.785 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.728 6.987 -3.061 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.158 9.103 -4.911 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.229 8.629 -7.459 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.210 5.062 -4.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.479 6.709 -9.138 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.806 3.946 -6.840 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.993 4.709 -9.005 1.00 0.00 H new ATOM 959 N PHE A 65 4.527 4.555 -1.069 1.00 0.00 N ATOM 960 CA PHE A 65 5.045 3.969 0.156 1.00 0.00 C ATOM 961 C PHE A 65 6.352 3.219 -0.106 1.00 0.00 C ATOM 962 O PHE A 65 6.444 2.435 -1.049 1.00 0.00 O ATOM 963 CB PHE A 65 3.993 2.977 0.657 1.00 0.00 C ATOM 964 CG PHE A 65 4.041 1.615 -0.037 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.055 0.749 0.234 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.071 1.269 -0.926 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.100 -0.515 -0.411 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.117 0.005 -1.570 1.00 0.00 C ATOM 969 CZ PHE A 65 4.130 -0.861 -1.299 1.00 0.00 C ATOM 0 H PHE A 65 4.357 3.888 -1.822 1.00 0.00 H new ATOM 0 HA PHE A 65 5.247 4.752 0.887 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.127 2.832 1.729 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.003 3.411 0.515 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.825 1.023 0.940 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.266 1.956 -1.142 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.905 -1.202 -0.196 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.347 -0.269 -2.276 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.164 -1.823 -1.789 1.00 0.00 H new ATOM 979 N PRO A 66 7.357 3.492 0.769 1.00 0.00 N ATOM 980 CA PRO A 66 8.655 2.852 0.642 1.00 0.00 C ATOM 981 C PRO A 66 8.597 1.397 1.111 1.00 0.00 C ATOM 982 O PRO A 66 7.778 1.046 1.959 1.00 0.00 O ATOM 983 CB PRO A 66 9.598 3.706 1.473 1.00 0.00 C ATOM 984 CG PRO A 66 8.713 4.518 2.405 1.00 0.00 C ATOM 985 CD PRO A 66 7.284 4.415 1.898 1.00 0.00 C ATOM 0 HA PRO A 66 8.996 2.795 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.293 3.084 2.037 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.197 4.358 0.837 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.784 4.140 3.425 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.036 5.559 2.428 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.615 4.041 2.673 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.902 5.388 1.590 1.00 0.00 H new ATOM 993 N GLU A 67 9.476 0.588 0.538 1.00 0.00 N ATOM 994 CA GLU A 67 9.535 -0.821 0.886 1.00 0.00 C ATOM 995 C GLU A 67 10.122 -0.997 2.288 1.00 0.00 C ATOM 996 O GLU A 67 9.707 -1.885 3.031 1.00 0.00 O ATOM 997 CB GLU A 67 10.342 -1.608 -0.149 1.00 0.00 C ATOM 998 CG GLU A 67 11.622 -0.862 -0.529 1.00 0.00 C ATOM 999 CD GLU A 67 12.831 -1.799 -0.503 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.394 -1.968 0.600 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.165 -2.325 -1.587 1.00 0.00 O ATOM 0 H GLU A 67 10.154 0.882 -0.165 1.00 0.00 H new ATOM 0 HA GLU A 67 8.520 -1.218 0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.594 -2.590 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.735 -1.773 -1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.514 -0.430 -1.524 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.784 -0.035 0.162 1.00 0.00 H new ATOM 1008 N ASP A 68 11.078 -0.137 2.607 1.00 0.00 N ATOM 1009 CA ASP A 68 11.726 -0.187 3.907 1.00 0.00 C ATOM 1010 C ASP A 68 10.659 -0.190 5.004 1.00 0.00 C ATOM 1011 O ASP A 68 10.914 -0.637 6.121 1.00 0.00 O ATOM 1012 CB ASP A 68 12.622 1.034 4.122 1.00 0.00 C ATOM 1013 CG ASP A 68 14.037 0.720 4.611 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.322 -0.484 4.788 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.802 1.691 4.798 1.00 0.00 O ATOM 0 H ASP A 68 11.420 0.598 1.988 1.00 0.00 H new ATOM 0 HA ASP A 68 12.333 -1.092 3.947 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.692 1.584 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.143 1.695 4.844 1.00 0.00 H new ATOM 1020 N PHE A 69 9.487 0.313 4.646 1.00 0.00 N ATOM 1021 CA PHE A 69 8.381 0.374 5.586 1.00 0.00 C ATOM 1022 C PHE A 69 7.282 -0.621 5.205 1.00 0.00 C ATOM 1023 O PHE A 69 6.102 -0.371 5.448 1.00 0.00 O ATOM 1024 CB PHE A 69 7.813 1.793 5.518 1.00 0.00 C ATOM 1025 CG PHE A 69 8.759 2.868 6.056 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.841 3.250 5.326 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.518 3.442 7.266 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.718 4.248 5.826 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.396 4.440 7.766 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.478 4.822 7.035 1.00 0.00 C ATOM 0 H PHE A 69 9.279 0.682 3.718 1.00 0.00 H new ATOM 0 HA PHE A 69 8.730 0.123 6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.567 2.026 4.482 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.881 1.828 6.083 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.033 2.794 4.366 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.659 3.139 7.846 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.577 4.552 5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.205 4.896 8.726 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.146 5.581 7.415 1.00 0.00 H new ATOM 1040 N ALA A 70 7.709 -1.727 4.615 1.00 0.00 N ATOM 1041 CA ALA A 70 6.777 -2.761 4.198 1.00 0.00 C ATOM 1042 C ALA A 70 7.550 -4.043 3.884 1.00 0.00 C ATOM 1043 O ALA A 70 8.753 -4.000 3.630 1.00 0.00 O ATOM 1044 CB ALA A 70 5.963 -2.263 3.002 1.00 0.00 C ATOM 0 H ALA A 70 8.688 -1.930 4.416 1.00 0.00 H new ATOM 0 HA ALA A 70 6.074 -2.989 4.999 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.264 -3.039 2.689 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.409 -1.368 3.286 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.635 -2.027 2.177 1.00 0.00 H new ATOM 1050 N ARG A 71 6.828 -5.153 3.910 1.00 0.00 N ATOM 1051 CA ARG A 71 7.431 -6.445 3.631 1.00 0.00 C ATOM 1052 C ARG A 71 6.638 -7.179 2.548 1.00 0.00 C ATOM 1053 O ARG A 71 5.492 -7.567 2.769 1.00 0.00 O ATOM 1054 CB ARG A 71 7.484 -7.312 4.891 1.00 0.00 C ATOM 1055 CG ARG A 71 8.722 -6.987 5.729 1.00 0.00 C ATOM 1056 CD ARG A 71 8.876 -7.977 6.886 1.00 0.00 C ATOM 1057 NE ARG A 71 9.482 -9.236 6.397 1.00 0.00 N ATOM 1058 CZ ARG A 71 8.777 -10.284 5.950 1.00 0.00 C ATOM 1059 NH1 ARG A 71 7.439 -10.231 5.927 1.00 0.00 N ATOM 1060 NH2 ARG A 71 9.411 -11.386 5.526 1.00 0.00 N ATOM 0 H ARG A 71 5.830 -5.185 4.120 1.00 0.00 H new ATOM 0 HA ARG A 71 8.449 -6.267 3.283 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.585 -7.150 5.486 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.496 -8.365 4.612 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.611 -7.018 5.099 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.644 -5.973 6.121 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.500 -7.542 7.667 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.903 -8.181 7.333 1.00 0.00 H new ATOM 0 HE ARG A 71 10.499 -9.310 6.401 1.00 0.00 H new ATOM 0 HH11 ARG A 71 6.956 -9.393 6.250 1.00 0.00 H new ATOM 0 HH12 ARG A 71 6.903 -11.029 5.587 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.430 -11.427 5.544 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.874 -12.184 5.186 1.00 0.00 H new ATOM 1074 N PHE A 72 7.279 -7.347 1.401 1.00 0.00 N ATOM 1075 CA PHE A 72 6.647 -8.027 0.283 1.00 0.00 C ATOM 1076 C PHE A 72 6.134 -9.407 0.700 1.00 0.00 C ATOM 1077 O PHE A 72 6.848 -10.168 1.352 1.00 0.00 O ATOM 1078 CB PHE A 72 7.717 -8.199 -0.798 1.00 0.00 C ATOM 1079 CG PHE A 72 7.684 -7.120 -1.882 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.801 -7.217 -2.911 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.539 -6.065 -1.816 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.771 -6.216 -3.918 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.509 -5.063 -2.823 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.626 -5.160 -3.852 1.00 0.00 C ATOM 0 H PHE A 72 8.230 -7.024 1.221 1.00 0.00 H new ATOM 0 HA PHE A 72 5.797 -7.446 -0.074 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.700 -8.196 -0.326 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.592 -9.175 -1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.122 -8.055 -2.963 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.241 -5.989 -0.999 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.070 -6.293 -4.736 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.188 -4.224 -2.771 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.603 -4.398 -4.617 1.00 0.00 H new