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= -1.37 K(o=-1.4,f=-3.7!) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00897 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= -0.0181 X(o=-0.018,f=-0.094) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 37 GLN : amide:sc= -0.437 K(o=-0.44,f=-1.4) USER MOD Single : A 38 GLN : amide:sc= 0.921 K(o=0.92,f=-0.91) USER MOD Single : A 46 GLN : amide:sc=-0.00438 X(o=-0.0044,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.44 K(o=-1.4,f=-0.59) 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 1.431 -7.145 -2.858 1.00 0.00 N ATOM 230 CA GLN A 19 1.016 -6.531 -1.608 1.00 0.00 C ATOM 231 C GLN A 19 2.151 -6.594 -0.584 1.00 0.00 C ATOM 232 O GLN A 19 2.909 -7.562 -0.550 1.00 0.00 O ATOM 233 CB GLN A 19 -0.250 -7.196 -1.065 1.00 0.00 C ATOM 234 CG GLN A 19 -1.502 -6.600 -1.709 1.00 0.00 C ATOM 235 CD GLN A 19 -2.771 -7.232 -1.132 1.00 0.00 C ATOM 236 OE1 GLN A 19 -2.970 -7.299 0.070 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.614 -7.690 -2.053 1.00 0.00 N ATOM 0 HA GLN A 19 0.783 -5.484 -1.799 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.213 -8.268 -1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.297 -7.068 0.016 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.521 -5.523 -1.545 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.471 -6.758 -2.787 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.385 -7.601 -3.043 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.490 -8.130 -1.769 1.00 0.00 H new ATOM 246 N VAL A 20 2.233 -5.548 0.226 1.00 0.00 N ATOM 247 CA VAL A 20 3.263 -5.472 1.248 1.00 0.00 C ATOM 248 C VAL A 20 2.627 -5.056 2.576 1.00 0.00 C ATOM 249 O VAL A 20 1.725 -4.220 2.602 1.00 0.00 O ATOM 250 CB VAL A 20 4.379 -4.528 0.797 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.948 -4.958 -0.556 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.886 -3.080 0.749 1.00 0.00 C ATOM 0 H VAL A 20 1.603 -4.746 0.195 1.00 0.00 H new ATOM 0 HA VAL A 20 3.724 -6.448 1.400 1.00 0.00 H new ATOM 0 HB VAL A 20 5.183 -4.585 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.739 -4.270 -0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.355 -5.966 -0.476 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.156 -4.945 -1.305 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.699 -2.430 0.426 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.056 -3.001 0.046 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.551 -2.777 1.741 1.00 0.00 H new ATOM 262 N GLU A 21 3.123 -5.658 3.647 1.00 0.00 N ATOM 263 CA GLU A 21 2.615 -5.360 4.975 1.00 0.00 C ATOM 264 C GLU A 21 3.518 -4.341 5.673 1.00 0.00 C ATOM 265 O GLU A 21 4.696 -4.608 5.906 1.00 0.00 O ATOM 266 CB GLU A 21 2.480 -6.636 5.810 1.00 0.00 C ATOM 267 CG GLU A 21 1.773 -6.351 7.136 1.00 0.00 C ATOM 268 CD GLU A 21 1.305 -7.649 7.798 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.186 -8.483 8.098 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.076 -7.777 7.988 1.00 0.00 O ATOM 0 H GLU A 21 3.871 -6.351 3.622 1.00 0.00 H new ATOM 0 HA GLU A 21 1.621 -4.925 4.873 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.920 -7.385 5.249 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.468 -7.055 6.003 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.449 -5.820 7.806 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.918 -5.698 6.963 1.00 0.00 H new ATOM 277 N ILE A 22 2.931 -3.195 5.987 1.00 0.00 N ATOM 278 CA ILE A 22 3.668 -2.135 6.654 1.00 0.00 C ATOM 279 C ILE A 22 4.075 -2.604 8.052 1.00 0.00 C ATOM 280 O ILE A 22 3.224 -2.796 8.919 1.00 0.00 O ATOM 281 CB ILE A 22 2.859 -0.837 6.652 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.401 -0.479 5.236 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.647 0.301 7.304 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.599 -0.264 4.310 1.00 0.00 C ATOM 0 H ILE A 22 1.954 -2.978 5.792 1.00 0.00 H new ATOM 0 HA ILE A 22 4.587 -1.911 6.113 1.00 0.00 H new ATOM 0 HB ILE A 22 1.962 -0.992 7.251 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.770 -1.276 4.842 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.792 0.425 5.265 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.049 1.212 7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.881 0.037 8.335 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.573 0.465 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.245 -0.011 3.310 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.214 0.550 4.694 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.192 -1.177 4.265 1.00 0.00 H new ATOM 296 N THR A 23 5.377 -2.776 8.228 1.00 0.00 N ATOM 297 CA THR A 23 5.907 -3.218 9.507 1.00 0.00 C ATOM 298 C THR A 23 5.757 -2.116 10.557 1.00 0.00 C ATOM 299 O THR A 23 5.521 -2.400 11.730 1.00 0.00 O ATOM 300 CB THR A 23 7.357 -3.658 9.291 1.00 0.00 C ATOM 301 OG1 THR A 23 8.022 -2.469 8.876 1.00 0.00 O ATOM 302 CG2 THR A 23 7.510 -4.606 8.100 1.00 0.00 C ATOM 0 H THR A 23 6.080 -2.617 7.507 1.00 0.00 H new ATOM 0 HA THR A 23 5.347 -4.070 9.894 1.00 0.00 H new ATOM 0 HB THR A 23 7.726 -4.146 10.193 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.969 -2.663 8.716 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.557 -4.887 7.991 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.910 -5.500 8.267 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.172 -4.107 7.192 1.00 0.00 H new ATOM 310 N LYS A 24 5.900 -0.882 10.098 1.00 0.00 N ATOM 311 CA LYS A 24 5.783 0.264 10.983 1.00 0.00 C ATOM 312 C LYS A 24 5.073 1.402 10.246 1.00 0.00 C ATOM 313 O LYS A 24 5.163 1.506 9.024 1.00 0.00 O ATOM 314 CB LYS A 24 7.154 0.654 11.540 1.00 0.00 C ATOM 315 CG LYS A 24 8.065 1.185 10.432 1.00 0.00 C ATOM 316 CD LYS A 24 9.495 0.670 10.603 1.00 0.00 C ATOM 317 CE LYS A 24 10.442 1.339 9.605 1.00 0.00 C ATOM 318 NZ LYS A 24 11.736 0.622 9.558 1.00 0.00 N ATOM 0 H LYS A 24 6.096 -0.650 9.124 1.00 0.00 H new ATOM 0 HA LYS A 24 5.172 0.014 11.850 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.034 1.414 12.312 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.618 -0.211 12.013 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.678 0.878 9.460 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.063 2.275 10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.836 0.864 11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.516 -0.411 10.461 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.988 1.348 8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.605 2.378 9.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.367 1.089 8.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.175 0.635 10.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.577 -0.363 9.264 1.00 0.00 H new ATOM 332 N ALA A 25 4.383 2.226 11.021 1.00 0.00 N ATOM 333 CA ALA A 25 3.658 3.352 10.457 1.00 0.00 C ATOM 334 C ALA A 25 4.609 4.185 9.595 1.00 0.00 C ATOM 335 O ALA A 25 5.801 4.272 9.886 1.00 0.00 O ATOM 336 CB ALA A 25 3.027 4.170 11.586 1.00 0.00 C ATOM 0 H ALA A 25 4.311 2.136 12.034 1.00 0.00 H new ATOM 0 HA ALA A 25 2.849 3.005 9.814 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.483 5.015 11.163 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.339 3.541 12.150 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.809 4.538 12.250 1.00 0.00 H new ATOM 342 N PHE A 26 4.046 4.777 8.552 1.00 0.00 N ATOM 343 CA PHE A 26 4.828 5.600 7.646 1.00 0.00 C ATOM 344 C PHE A 26 4.183 6.975 7.458 1.00 0.00 C ATOM 345 O PHE A 26 3.494 7.211 6.467 1.00 0.00 O ATOM 346 CB PHE A 26 4.860 4.876 6.298 1.00 0.00 C ATOM 347 CG PHE A 26 5.193 5.783 5.112 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.356 6.488 5.100 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.326 5.885 4.069 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.665 7.330 3.999 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.635 6.727 2.968 1.00 0.00 C ATOM 352 CZ PHE A 26 5.798 7.432 2.957 1.00 0.00 C ATOM 0 H PHE A 26 3.057 4.703 8.314 1.00 0.00 H new ATOM 0 HA PHE A 26 5.829 5.750 8.051 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.596 4.073 6.346 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.890 4.410 6.125 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.045 6.407 5.928 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.402 5.325 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.589 7.889 3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.947 6.807 2.140 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.033 8.073 2.120 1.00 0.00 H new ATOM 362 N PHE A 27 4.430 7.846 8.425 1.00 0.00 N ATOM 363 CA PHE A 27 3.882 9.191 8.379 1.00 0.00 C ATOM 364 C PHE A 27 4.293 9.906 7.090 1.00 0.00 C ATOM 365 O PHE A 27 5.472 10.186 6.881 1.00 0.00 O ATOM 366 CB PHE A 27 4.457 9.950 9.576 1.00 0.00 C ATOM 367 CG PHE A 27 3.962 9.442 10.931 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.786 9.899 11.440 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.697 8.535 11.628 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.326 9.428 12.698 1.00 0.00 C ATOM 371 CE2 PHE A 27 4.237 8.064 12.886 1.00 0.00 C ATOM 372 CZ PHE A 27 3.061 8.520 13.394 1.00 0.00 C ATOM 0 H PHE A 27 5.002 7.647 9.245 1.00 0.00 H new ATOM 0 HA PHE A 27 2.793 9.151 8.409 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.544 9.881 9.549 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.202 11.006 9.480 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.202 10.620 10.887 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.631 8.173 11.225 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.392 9.791 13.102 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.821 7.344 13.439 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.711 8.161 14.350 1.00 0.00 H new ATOM 382 N ALA A 28 3.297 10.182 6.261 1.00 0.00 N ATOM 383 CA ALA A 28 3.540 10.860 4.999 1.00 0.00 C ATOM 384 C ALA A 28 3.856 12.332 5.268 1.00 0.00 C ATOM 385 O ALA A 28 3.203 12.970 6.092 1.00 0.00 O ATOM 386 CB ALA A 28 2.329 10.682 4.082 1.00 0.00 C ATOM 0 H ALA A 28 2.320 9.948 6.439 1.00 0.00 H new ATOM 0 HA ALA A 28 4.401 10.426 4.490 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.511 11.191 3.135 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.165 9.620 3.898 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.446 11.108 4.558 1.00 0.00 H new ATOM 392 N LYS A 29 4.858 12.829 4.558 1.00 0.00 N ATOM 393 CA LYS A 29 5.268 14.215 4.710 1.00 0.00 C ATOM 394 C LYS A 29 4.858 15.003 3.464 1.00 0.00 C ATOM 395 O LYS A 29 4.504 16.178 3.558 1.00 0.00 O ATOM 396 CB LYS A 29 6.763 14.299 5.026 1.00 0.00 C ATOM 397 CG LYS A 29 7.603 14.092 3.764 1.00 0.00 C ATOM 398 CD LYS A 29 8.152 15.423 3.247 1.00 0.00 C ATOM 399 CE LYS A 29 9.606 15.622 3.680 1.00 0.00 C ATOM 400 NZ LYS A 29 9.769 16.922 4.368 1.00 0.00 N ATOM 0 H LYS A 29 5.398 12.297 3.876 1.00 0.00 H new ATOM 0 HA LYS A 29 4.759 14.672 5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.992 15.271 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.024 13.545 5.769 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.428 13.413 3.979 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.995 13.620 2.992 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.086 15.450 2.159 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.541 16.243 3.624 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.908 14.812 4.344 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.260 15.580 2.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.762 17.041 4.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.501 17.692 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.160 16.948 5.210 1.00 0.00 H new ATOM 414 N GLN A 30 4.918 14.326 2.327 1.00 0.00 N ATOM 415 CA GLN A 30 4.557 14.948 1.065 1.00 0.00 C ATOM 416 C GLN A 30 3.091 14.663 0.733 1.00 0.00 C ATOM 417 O GLN A 30 2.407 13.963 1.478 1.00 0.00 O ATOM 418 CB GLN A 30 5.476 14.475 -0.062 1.00 0.00 C ATOM 419 CG GLN A 30 6.798 15.246 -0.052 1.00 0.00 C ATOM 420 CD GLN A 30 7.042 15.934 -1.397 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.201 16.644 -1.922 1.00 0.00 O ATOM 422 NE2 GLN A 30 8.238 15.683 -1.923 1.00 0.00 N ATOM 0 H GLN A 30 5.212 13.352 2.253 1.00 0.00 H new ATOM 0 HA GLN A 30 4.684 16.026 1.164 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.672 13.408 0.047 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.979 14.611 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.783 15.991 0.744 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.620 14.563 0.166 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.895 15.079 -1.430 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.498 16.095 -2.819 1.00 0.00 H new ATOM 431 N ALA A 31 2.652 15.220 -0.386 1.00 0.00 N ATOM 432 CA ALA A 31 1.279 15.035 -0.826 1.00 0.00 C ATOM 433 C ALA A 31 1.195 13.787 -1.707 1.00 0.00 C ATOM 434 O ALA A 31 0.104 13.362 -2.084 1.00 0.00 O ATOM 435 CB ALA A 31 0.801 16.294 -1.551 1.00 0.00 C ATOM 0 H ALA A 31 3.223 15.800 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 31 0.619 14.881 0.028 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.229 16.155 -1.881 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.853 17.146 -0.873 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.437 16.479 -2.416 1.00 0.00 H new ATOM 441 N ASP A 32 2.361 13.236 -2.011 1.00 0.00 N ATOM 442 CA ASP A 32 2.433 12.046 -2.841 1.00 0.00 C ATOM 443 C ASP A 32 2.516 10.808 -1.944 1.00 0.00 C ATOM 444 O ASP A 32 2.225 9.697 -2.385 1.00 0.00 O ATOM 445 CB ASP A 32 3.677 12.069 -3.730 1.00 0.00 C ATOM 446 CG ASP A 32 4.912 12.716 -3.099 1.00 0.00 C ATOM 447 OD1 ASP A 32 5.436 12.117 -2.135 1.00 0.00 O ATOM 448 OD2 ASP A 32 5.303 13.795 -3.594 1.00 0.00 O ATOM 0 H ASP A 32 3.264 13.592 -1.697 1.00 0.00 H new ATOM 0 HA ASP A 32 1.542 12.018 -3.468 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.925 11.045 -4.009 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.437 12.601 -4.651 1.00 0.00 H new ATOM 453 N GLU A 33 2.913 11.042 -0.702 1.00 0.00 N ATOM 454 CA GLU A 33 3.038 9.961 0.260 1.00 0.00 C ATOM 455 C GLU A 33 1.688 9.686 0.927 1.00 0.00 C ATOM 456 O GLU A 33 0.732 10.434 0.733 1.00 0.00 O ATOM 457 CB GLU A 33 4.111 10.276 1.303 1.00 0.00 C ATOM 458 CG GLU A 33 5.484 10.433 0.647 1.00 0.00 C ATOM 459 CD GLU A 33 6.352 11.427 1.422 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.055 11.626 2.620 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.293 11.965 0.799 1.00 0.00 O ATOM 0 H GLU A 33 3.152 11.965 -0.340 1.00 0.00 H new ATOM 0 HA GLU A 33 3.349 9.062 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.850 11.192 1.833 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.148 9.478 2.045 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.983 9.465 0.604 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.363 10.775 -0.381 1.00 0.00 H new ATOM 468 N VAL A 34 1.655 8.611 1.701 1.00 0.00 N ATOM 469 CA VAL A 34 0.439 8.228 2.398 1.00 0.00 C ATOM 470 C VAL A 34 0.803 7.629 3.758 1.00 0.00 C ATOM 471 O VAL A 34 1.758 6.861 3.866 1.00 0.00 O ATOM 472 CB VAL A 34 -0.386 7.278 1.528 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.471 6.117 1.018 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.611 6.763 2.287 1.00 0.00 C ATOM 0 H VAL A 34 2.451 7.993 1.861 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.186 9.102 2.584 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.739 7.839 0.663 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.140 5.457 0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.296 6.508 0.423 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.868 5.558 1.865 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.180 6.090 1.646 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.287 6.227 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.239 7.605 2.577 1.00 0.00 H new ATOM 484 N THR A 35 0.023 8.002 4.761 1.00 0.00 N ATOM 485 CA THR A 35 0.251 7.511 6.110 1.00 0.00 C ATOM 486 C THR A 35 -0.234 6.066 6.240 1.00 0.00 C ATOM 487 O THR A 35 -1.307 5.720 5.748 1.00 0.00 O ATOM 488 CB THR A 35 -0.433 8.472 7.085 1.00 0.00 C ATOM 489 OG1 THR A 35 0.182 9.730 6.821 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.074 8.180 8.543 1.00 0.00 C ATOM 0 H THR A 35 -0.768 8.639 4.667 1.00 0.00 H new ATOM 0 HA THR A 35 1.314 7.487 6.348 1.00 0.00 H new ATOM 0 HB THR A 35 -1.514 8.410 6.958 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.204 10.413 7.409 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.585 8.890 9.193 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.384 7.167 8.798 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.003 8.275 8.678 1.00 0.00 H new ATOM 498 N LEU A 36 0.580 5.260 6.906 1.00 0.00 N ATOM 499 CA LEU A 36 0.248 3.860 7.108 1.00 0.00 C ATOM 500 C LEU A 36 0.421 3.507 8.587 1.00 0.00 C ATOM 501 O LEU A 36 1.017 4.271 9.345 1.00 0.00 O ATOM 502 CB LEU A 36 1.063 2.975 6.164 1.00 0.00 C ATOM 503 CG LEU A 36 1.240 3.499 4.738 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.528 2.960 4.112 1.00 0.00 C ATOM 505 CD2 LEU A 36 0.012 3.185 3.882 1.00 0.00 C ATOM 0 H LEU A 36 1.469 5.550 7.313 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.797 3.676 6.857 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.051 2.826 6.600 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.586 1.996 6.113 1.00 0.00 H new ATOM 0 HG LEU A 36 1.333 4.584 4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.630 3.348 3.098 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.383 3.277 4.709 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.490 1.871 4.082 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.164 3.568 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.137 2.106 3.842 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.867 3.657 4.321 1.00 0.00 H new ATOM 517 N GLN A 37 -0.109 2.349 8.952 1.00 0.00 N ATOM 518 CA GLN A 37 -0.020 1.886 10.326 1.00 0.00 C ATOM 519 C GLN A 37 0.738 0.559 10.390 1.00 0.00 C ATOM 520 O GLN A 37 0.955 -0.087 9.366 1.00 0.00 O ATOM 521 CB GLN A 37 -1.411 1.754 10.951 1.00 0.00 C ATOM 522 CG GLN A 37 -2.018 3.129 11.233 1.00 0.00 C ATOM 523 CD GLN A 37 -1.132 3.935 12.185 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.382 3.397 12.982 1.00 0.00 O ATOM 525 NE2 GLN A 37 -1.260 5.253 12.058 1.00 0.00 N ATOM 0 H GLN A 37 -0.602 1.718 8.320 1.00 0.00 H new ATOM 0 HA GLN A 37 0.533 2.626 10.904 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.063 1.195 10.280 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.344 1.185 11.878 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.143 3.674 10.297 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.011 3.010 11.667 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.907 5.639 11.370 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.711 5.878 12.649 1.00 0.00 H new ATOM 534 N GLN A 38 1.121 0.191 11.604 1.00 0.00 N ATOM 535 CA GLN A 38 1.850 -1.048 11.816 1.00 0.00 C ATOM 536 C GLN A 38 0.966 -2.250 11.476 1.00 0.00 C ATOM 537 O GLN A 38 -0.148 -2.368 11.984 1.00 0.00 O ATOM 538 CB GLN A 38 2.372 -1.139 13.251 1.00 0.00 C ATOM 539 CG GLN A 38 3.055 -2.485 13.502 1.00 0.00 C ATOM 540 CD GLN A 38 4.083 -2.376 14.630 1.00 0.00 C ATOM 541 OE1 GLN A 38 3.751 -2.221 15.794 1.00 0.00 O ATOM 542 NE2 GLN A 38 5.345 -2.466 14.222 1.00 0.00 N ATOM 0 H GLN A 38 0.940 0.729 12.451 1.00 0.00 H new ATOM 0 HA GLN A 38 2.713 -1.057 11.150 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.077 -0.329 13.437 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.546 -1.010 13.951 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.306 -3.235 13.759 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.546 -2.824 12.589 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.553 -2.596 13.232 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.105 -2.406 14.899 1.00 0.00 H new ATOM 551 N ALA A 39 1.496 -3.110 10.619 1.00 0.00 N ATOM 552 CA ALA A 39 0.768 -4.298 10.206 1.00 0.00 C ATOM 553 C ALA A 39 -0.400 -3.889 9.306 1.00 0.00 C ATOM 554 O ALA A 39 -1.523 -4.354 9.491 1.00 0.00 O ATOM 555 CB ALA A 39 0.308 -5.072 11.443 1.00 0.00 C ATOM 0 H ALA A 39 2.420 -3.008 10.199 1.00 0.00 H new ATOM 0 HA ALA A 39 1.412 -4.961 9.628 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.238 -5.963 11.133 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.177 -5.366 12.032 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.343 -4.440 12.047 1.00 0.00 H new ATOM 561 N ASP A 40 -0.094 -3.022 8.351 1.00 0.00 N ATOM 562 CA ASP A 40 -1.105 -2.545 7.423 1.00 0.00 C ATOM 563 C ASP A 40 -0.844 -3.145 6.040 1.00 0.00 C ATOM 564 O ASP A 40 0.303 -3.401 5.676 1.00 0.00 O ATOM 565 CB ASP A 40 -1.058 -1.021 7.294 1.00 0.00 C ATOM 566 CG ASP A 40 -1.826 -0.257 8.374 1.00 0.00 C ATOM 567 OD1 ASP A 40 -2.044 -0.858 9.448 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.178 0.911 8.101 1.00 0.00 O ATOM 0 H ASP A 40 0.839 -2.638 8.200 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.081 -2.845 7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.016 -0.702 7.316 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.457 -0.741 6.319 1.00 0.00 H new ATOM 573 N VAL A 41 -1.928 -3.352 5.306 1.00 0.00 N ATOM 574 CA VAL A 41 -1.831 -3.917 3.971 1.00 0.00 C ATOM 575 C VAL A 41 -2.025 -2.806 2.936 1.00 0.00 C ATOM 576 O VAL A 41 -2.866 -1.926 3.116 1.00 0.00 O ATOM 577 CB VAL A 41 -2.833 -5.063 3.813 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.752 -5.673 2.413 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.620 -6.129 4.889 1.00 0.00 C ATOM 0 H VAL A 41 -2.878 -3.138 5.611 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.841 -4.344 3.808 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.835 -4.653 3.942 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.474 -6.485 2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.976 -4.908 1.669 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.748 -6.061 2.243 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.345 -6.932 4.754 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.611 -6.533 4.806 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.752 -5.683 5.875 1.00 0.00 H new ATOM 589 N VAL A 42 -1.234 -2.884 1.876 1.00 0.00 N ATOM 590 CA VAL A 42 -1.309 -1.896 0.813 1.00 0.00 C ATOM 591 C VAL A 42 -1.175 -2.599 -0.540 1.00 0.00 C ATOM 592 O VAL A 42 -0.253 -3.387 -0.745 1.00 0.00 O ATOM 593 CB VAL A 42 -0.252 -0.812 1.031 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.116 0.078 -0.206 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.569 0.021 2.274 1.00 0.00 C ATOM 0 H VAL A 42 -0.538 -3.616 1.730 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.277 -1.394 0.825 1.00 0.00 H new ATOM 0 HB VAL A 42 0.706 -1.306 1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.642 0.840 -0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.179 -0.530 -1.061 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.072 0.559 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.198 0.784 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.541 0.500 2.153 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.591 -0.627 3.150 1.00 0.00 H new ATOM 605 N LEU A 43 -2.108 -2.287 -1.427 1.00 0.00 N ATOM 606 CA LEU A 43 -2.106 -2.879 -2.754 1.00 0.00 C ATOM 607 C LEU A 43 -1.218 -2.043 -3.679 1.00 0.00 C ATOM 608 O LEU A 43 -1.571 -0.920 -4.035 1.00 0.00 O ATOM 609 CB LEU A 43 -3.537 -3.051 -3.266 1.00 0.00 C ATOM 610 CG LEU A 43 -3.695 -3.854 -4.559 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.319 -5.321 -4.342 1.00 0.00 C ATOM 612 CD2 LEU A 43 -5.107 -3.703 -5.130 1.00 0.00 C ATOM 0 H LEU A 43 -2.870 -1.632 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.680 -3.882 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.125 -3.536 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.968 -2.062 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.004 -3.450 -5.299 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.440 -5.870 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.281 -5.386 -4.015 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -3.967 -5.754 -3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.192 -4.284 -6.049 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.834 -4.065 -4.403 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.302 -2.652 -5.346 1.00 0.00 H new ATOM 624 N VAL A 44 -0.084 -2.624 -4.041 1.00 0.00 N ATOM 625 CA VAL A 44 0.857 -1.946 -4.917 1.00 0.00 C ATOM 626 C VAL A 44 0.175 -1.643 -6.253 1.00 0.00 C ATOM 627 O VAL A 44 -0.575 -2.468 -6.772 1.00 0.00 O ATOM 628 CB VAL A 44 2.127 -2.786 -5.070 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.080 -2.158 -6.089 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.819 -2.984 -3.721 1.00 0.00 C ATOM 0 H VAL A 44 0.205 -3.556 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 44 1.164 -0.993 -4.485 1.00 0.00 H new ATOM 0 HB VAL A 44 1.837 -3.768 -5.444 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.974 -2.775 -6.179 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.585 -2.093 -7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.360 -1.158 -5.757 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.718 -3.584 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.090 -2.014 -3.305 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.142 -3.496 -3.037 1.00 0.00 H new ATOM 640 N LEU A 45 0.462 -0.458 -6.771 1.00 0.00 N ATOM 641 CA LEU A 45 -0.114 -0.036 -8.037 1.00 0.00 C ATOM 642 C LEU A 45 1.010 0.237 -9.038 1.00 0.00 C ATOM 643 O LEU A 45 0.898 -0.111 -10.213 1.00 0.00 O ATOM 644 CB LEU A 45 -1.054 1.153 -7.828 1.00 0.00 C ATOM 645 CG LEU A 45 -2.398 0.838 -7.168 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.977 2.079 -6.485 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.375 0.230 -8.177 1.00 0.00 C ATOM 0 H LEU A 45 1.085 0.223 -6.338 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.731 -0.830 -8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.538 1.896 -7.219 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.247 1.613 -8.797 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.231 0.091 -6.392 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.932 1.828 -6.024 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.285 2.429 -5.719 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.127 2.865 -7.225 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.322 0.015 -7.682 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.542 0.935 -8.991 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.957 -0.694 -8.577 1.00 0.00 H new ATOM 659 N GLN A 46 2.068 0.857 -8.536 1.00 0.00 N ATOM 660 CA GLN A 46 3.212 1.180 -9.372 1.00 0.00 C ATOM 661 C GLN A 46 4.513 0.991 -8.589 1.00 0.00 C ATOM 662 O GLN A 46 4.719 1.628 -7.557 1.00 0.00 O ATOM 663 CB GLN A 46 3.105 2.605 -9.920 1.00 0.00 C ATOM 664 CG GLN A 46 2.747 2.595 -11.408 1.00 0.00 C ATOM 665 CD GLN A 46 1.876 3.799 -11.770 1.00 0.00 C ATOM 666 OE1 GLN A 46 2.332 4.928 -11.842 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.601 3.496 -11.994 1.00 0.00 N ATOM 0 H GLN A 46 2.157 1.144 -7.561 1.00 0.00 H new ATOM 0 HA GLN A 46 3.220 0.498 -10.222 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.347 3.156 -9.364 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.051 3.127 -9.773 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.659 2.608 -12.005 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.219 1.673 -11.653 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.285 2.529 -11.917 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.062 4.230 -12.243 1.00 0.00 H new ATOM 676 N GLN A 47 5.356 0.111 -9.108 1.00 0.00 N ATOM 677 CA GLN A 47 6.631 -0.171 -8.471 1.00 0.00 C ATOM 678 C GLN A 47 7.749 0.629 -9.142 1.00 0.00 C ATOM 679 O GLN A 47 8.075 0.390 -10.304 1.00 0.00 O ATOM 680 CB GLN A 47 6.937 -1.670 -8.496 1.00 0.00 C ATOM 681 CG GLN A 47 6.395 -2.362 -7.244 1.00 0.00 C ATOM 682 CD GLN A 47 6.752 -3.850 -7.241 1.00 0.00 C ATOM 683 OE1 GLN A 47 7.792 -4.265 -7.724 1.00 0.00 O ATOM 684 NE2 GLN A 47 5.834 -4.626 -6.672 1.00 0.00 N ATOM 0 H GLN A 47 5.181 -0.417 -9.963 1.00 0.00 H new ATOM 0 HA GLN A 47 6.569 0.136 -7.427 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.495 -2.120 -9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.014 -1.824 -8.563 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.805 -1.884 -6.354 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.312 -2.244 -7.199 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.985 -4.213 -6.287 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.979 -5.634 -6.621 1.00 0.00 H new ATOM 693 N GLU A 48 8.305 1.561 -8.383 1.00 0.00 N ATOM 694 CA GLU A 48 9.379 2.397 -8.890 1.00 0.00 C ATOM 695 C GLU A 48 10.632 2.234 -8.027 1.00 0.00 C ATOM 696 O GLU A 48 10.629 2.589 -6.849 1.00 0.00 O ATOM 697 CB GLU A 48 8.948 3.863 -8.958 1.00 0.00 C ATOM 698 CG GLU A 48 9.479 4.533 -10.226 1.00 0.00 C ATOM 699 CD GLU A 48 8.618 4.172 -11.439 1.00 0.00 C ATOM 700 OE1 GLU A 48 7.379 4.175 -11.276 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.219 3.902 -12.501 1.00 0.00 O ATOM 0 H GLU A 48 8.032 1.756 -7.420 1.00 0.00 H new ATOM 0 HA GLU A 48 9.615 2.074 -9.904 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.860 3.927 -8.937 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.316 4.395 -8.080 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.490 5.615 -10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 48 10.509 4.223 -10.401 1.00 0.00 H new ATOM 708 N ASP A 49 11.672 1.696 -8.646 1.00 0.00 N ATOM 709 CA ASP A 49 12.929 1.481 -7.949 1.00 0.00 C ATOM 710 C ASP A 49 13.200 2.664 -7.018 1.00 0.00 C ATOM 711 O ASP A 49 13.611 3.732 -7.470 1.00 0.00 O ATOM 712 CB ASP A 49 14.095 1.378 -8.935 1.00 0.00 C ATOM 713 CG ASP A 49 15.033 0.191 -8.704 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.504 -0.901 -8.403 1.00 0.00 O ATOM 715 OD2 ASP A 49 16.258 0.403 -8.835 1.00 0.00 O ATOM 0 H ASP A 49 11.670 1.402 -9.623 1.00 0.00 H new ATOM 0 HA ASP A 49 12.848 0.550 -7.388 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.692 1.312 -9.946 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.678 2.298 -8.883 1.00 0.00 H new ATOM 720 N GLY A 50 12.959 2.435 -5.736 1.00 0.00 N ATOM 721 CA GLY A 50 13.172 3.469 -4.738 1.00 0.00 C ATOM 722 C GLY A 50 11.925 3.659 -3.871 1.00 0.00 C ATOM 723 O GLY A 50 12.029 3.823 -2.656 1.00 0.00 O ATOM 0 H GLY A 50 12.618 1.548 -5.365 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.020 3.202 -4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.424 4.408 -5.230 1.00 0.00 H new ATOM 727 N TRP A 51 10.776 3.631 -4.529 1.00 0.00 N ATOM 728 CA TRP A 51 9.511 3.798 -3.834 1.00 0.00 C ATOM 729 C TRP A 51 8.492 2.852 -4.472 1.00 0.00 C ATOM 730 O TRP A 51 8.555 2.583 -5.671 1.00 0.00 O ATOM 731 CB TRP A 51 9.063 5.261 -3.854 1.00 0.00 C ATOM 732 CG TRP A 51 9.876 6.173 -2.932 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.121 6.632 -3.114 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.445 6.722 -1.668 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.524 7.433 -2.065 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.473 7.489 -1.158 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.229 6.574 -0.979 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.387 8.169 0.063 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.160 7.260 0.239 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.185 8.037 0.767 1.00 0.00 C ATOM 0 H TRP A 51 10.694 3.495 -5.537 1.00 0.00 H new ATOM 0 HA TRP A 51 9.613 3.540 -2.780 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.133 5.638 -4.874 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.013 5.313 -3.566 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.733 6.404 -3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.427 7.898 -1.973 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.412 5.978 -1.359 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.205 8.764 0.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.246 7.180 0.809 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.054 8.536 1.716 1.00 0.00 H new ATOM 751 N LEU A 52 7.576 2.374 -3.643 1.00 0.00 N ATOM 752 CA LEU A 52 6.544 1.464 -4.112 1.00 0.00 C ATOM 753 C LEU A 52 5.171 2.108 -3.908 1.00 0.00 C ATOM 754 O LEU A 52 4.789 2.419 -2.781 1.00 0.00 O ATOM 755 CB LEU A 52 6.689 0.098 -3.439 1.00 0.00 C ATOM 756 CG LEU A 52 8.122 -0.395 -3.222 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.830 -0.625 -4.559 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.900 0.563 -2.318 1.00 0.00 C ATOM 0 H LEU A 52 7.527 2.599 -2.649 1.00 0.00 H new ATOM 0 HA LEU A 52 6.654 1.280 -5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.189 0.137 -2.471 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.160 -0.640 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 52 8.080 -1.357 -2.710 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.846 -0.975 -4.377 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.286 -1.374 -5.135 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.863 0.310 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.915 0.190 -2.180 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.936 1.550 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.404 0.633 -1.350 1.00 0.00 H new ATOM 770 N TYR A 53 4.467 2.287 -5.015 1.00 0.00 N ATOM 771 CA TYR A 53 3.145 2.888 -4.972 1.00 0.00 C ATOM 772 C TYR A 53 2.060 1.817 -4.837 1.00 0.00 C ATOM 773 O TYR A 53 2.177 0.735 -5.409 1.00 0.00 O ATOM 774 CB TYR A 53 2.966 3.612 -6.308 1.00 0.00 C ATOM 775 CG TYR A 53 1.730 4.512 -6.369 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.624 5.596 -5.521 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.722 4.239 -7.270 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.461 6.443 -5.578 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.442 5.086 -7.327 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.514 6.146 -6.478 1.00 0.00 C ATOM 781 OH TYR A 53 -1.613 6.946 -6.532 1.00 0.00 O ATOM 0 H TYR A 53 4.787 2.026 -5.948 1.00 0.00 H new ATOM 0 HA TYR A 53 3.057 3.559 -4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.852 4.216 -6.504 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.903 2.871 -7.105 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.413 5.809 -4.815 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.805 3.390 -7.933 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.365 7.295 -4.921 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.239 4.884 -8.028 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.225 6.614 -7.222 1.00 0.00 H new ATOM 791 N GLY A 54 1.029 2.157 -4.077 1.00 0.00 N ATOM 792 CA GLY A 54 -0.075 1.239 -3.859 1.00 0.00 C ATOM 793 C GLY A 54 -1.268 1.956 -3.225 1.00 0.00 C ATOM 794 O GLY A 54 -1.256 3.177 -3.077 1.00 0.00 O ATOM 0 H GLY A 54 0.935 3.056 -3.605 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.376 0.795 -4.808 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.248 0.423 -3.213 1.00 0.00 H new ATOM 798 N GLU A 55 -2.271 1.167 -2.867 1.00 0.00 N ATOM 799 CA GLU A 55 -3.469 1.712 -2.252 1.00 0.00 C ATOM 800 C GLU A 55 -3.774 0.979 -0.944 1.00 0.00 C ATOM 801 O GLU A 55 -3.806 -0.250 -0.909 1.00 0.00 O ATOM 802 CB GLU A 55 -4.659 1.639 -3.211 1.00 0.00 C ATOM 803 CG GLU A 55 -5.976 1.879 -2.470 1.00 0.00 C ATOM 804 CD GLU A 55 -6.789 0.587 -2.365 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.247 0.117 -3.428 1.00 0.00 O ATOM 806 OE2 GLU A 55 -6.934 0.100 -1.223 1.00 0.00 O ATOM 0 H GLU A 55 -2.278 0.155 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.291 2.763 -2.024 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.541 2.382 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.682 0.662 -3.694 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.771 2.266 -1.472 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.558 2.638 -2.992 1.00 0.00 H new ATOM 813 N ARG A 56 -3.990 1.766 0.101 1.00 0.00 N ATOM 814 CA ARG A 56 -4.291 1.207 1.408 1.00 0.00 C ATOM 815 C ARG A 56 -5.678 0.561 1.402 1.00 0.00 C ATOM 816 O ARG A 56 -6.683 1.240 1.196 1.00 0.00 O ATOM 817 CB ARG A 56 -4.244 2.286 2.492 1.00 0.00 C ATOM 818 CG ARG A 56 -3.952 1.673 3.863 1.00 0.00 C ATOM 819 CD ARG A 56 -3.337 2.708 4.807 1.00 0.00 C ATOM 820 NE ARG A 56 -4.071 3.989 4.702 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.090 4.925 5.661 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.414 4.729 6.801 1.00 0.00 N ATOM 823 NH2 ARG A 56 -4.784 6.057 5.479 1.00 0.00 N ATOM 0 H ARG A 56 -3.962 2.785 0.069 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.536 0.453 1.628 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.476 3.020 2.247 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.195 2.818 2.522 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.874 1.284 4.295 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.272 0.829 3.750 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.372 2.342 5.833 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.287 2.860 4.559 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.595 4.171 3.846 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.885 3.868 6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.428 5.441 7.531 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.298 6.206 4.611 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.798 6.769 6.209 1.00 0.00 H new ATOM 837 N LEU A 57 -5.689 -0.744 1.631 1.00 0.00 N ATOM 838 CA LEU A 57 -6.935 -1.490 1.655 1.00 0.00 C ATOM 839 C LEU A 57 -7.772 -1.038 2.854 1.00 0.00 C ATOM 840 O LEU A 57 -8.950 -1.377 2.957 1.00 0.00 O ATOM 841 CB LEU A 57 -6.660 -2.995 1.629 1.00 0.00 C ATOM 842 CG LEU A 57 -6.069 -3.546 0.330 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.843 -3.033 -0.886 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.574 -3.233 0.232 1.00 0.00 C ATOM 0 H LEU A 57 -4.854 -1.304 1.802 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.521 -1.282 0.760 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.978 -3.234 2.445 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.594 -3.519 1.831 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.171 -4.631 0.342 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.402 -3.440 -1.796 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.884 -3.349 -0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.795 -1.944 -0.915 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.178 -3.636 -0.700 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.426 -2.153 0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.051 -3.687 1.074 1.00 0.00 H new ATOM 856 N ARG A 58 -7.130 -0.280 3.731 1.00 0.00 N ATOM 857 CA ARG A 58 -7.800 0.221 4.919 1.00 0.00 C ATOM 858 C ARG A 58 -8.957 1.143 4.526 1.00 0.00 C ATOM 859 O ARG A 58 -10.119 0.828 4.779 1.00 0.00 O ATOM 860 CB ARG A 58 -6.828 0.989 5.817 1.00 0.00 C ATOM 861 CG ARG A 58 -7.488 1.365 7.145 1.00 0.00 C ATOM 862 CD ARG A 58 -6.495 1.248 8.303 1.00 0.00 C ATOM 863 NE ARG A 58 -7.181 1.518 9.587 1.00 0.00 N ATOM 864 CZ ARG A 58 -7.915 0.615 10.251 1.00 0.00 C ATOM 865 NH1 ARG A 58 -8.063 -0.622 9.757 1.00 0.00 N ATOM 866 NH2 ARG A 58 -8.501 0.948 11.409 1.00 0.00 N ATOM 0 H ARG A 58 -6.153 -0.001 3.643 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.185 -0.637 5.470 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.944 0.380 6.006 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.491 1.891 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.869 2.385 7.090 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.343 0.714 7.327 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.057 0.250 8.318 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.676 1.953 8.163 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.089 2.450 9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.617 -0.876 8.876 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.622 -1.310 10.262 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.388 1.889 11.785 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.060 0.260 11.914 1.00 0.00 H new ATOM 880 N ASP A 59 -8.599 2.262 3.915 1.00 0.00 N ATOM 881 CA ASP A 59 -9.592 3.231 3.485 1.00 0.00 C ATOM 882 C ASP A 59 -9.610 3.293 1.957 1.00 0.00 C ATOM 883 O ASP A 59 -10.624 3.651 1.358 1.00 0.00 O ATOM 884 CB ASP A 59 -9.262 4.629 4.012 1.00 0.00 C ATOM 885 CG ASP A 59 -10.475 5.477 4.400 1.00 0.00 C ATOM 886 OD1 ASP A 59 -11.309 5.719 3.500 1.00 0.00 O ATOM 887 OD2 ASP A 59 -10.541 5.864 5.586 1.00 0.00 O ATOM 0 H ASP A 59 -7.634 2.520 3.707 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.560 2.918 3.876 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.614 4.529 4.883 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.693 5.163 3.251 1.00 0.00 H new ATOM 892 N GLY A 60 -8.477 2.940 1.369 1.00 0.00 N ATOM 893 CA GLY A 60 -8.349 2.951 -0.079 1.00 0.00 C ATOM 894 C GLY A 60 -7.416 4.073 -0.538 1.00 0.00 C ATOM 895 O GLY A 60 -7.297 4.337 -1.734 1.00 0.00 O ATOM 0 H GLY A 60 -7.638 2.644 1.869 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.964 1.990 -0.421 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.331 3.081 -0.534 1.00 0.00 H new ATOM 899 N GLU A 61 -6.776 4.704 0.436 1.00 0.00 N ATOM 900 CA GLU A 61 -5.857 5.791 0.147 1.00 0.00 C ATOM 901 C GLU A 61 -4.713 5.297 -0.741 1.00 0.00 C ATOM 902 O GLU A 61 -4.049 4.315 -0.415 1.00 0.00 O ATOM 903 CB GLU A 61 -5.320 6.413 1.437 1.00 0.00 C ATOM 904 CG GLU A 61 -5.567 7.923 1.463 1.00 0.00 C ATOM 905 CD GLU A 61 -4.319 8.675 1.927 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.097 8.703 3.157 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.614 9.206 1.041 1.00 0.00 O ATOM 0 H GLU A 61 -6.876 4.483 1.427 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.401 6.567 -0.392 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.801 5.947 2.297 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.252 6.214 1.523 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.853 8.265 0.469 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.400 8.147 2.129 1.00 0.00 H new ATOM 914 N THR A 62 -4.519 6.001 -1.847 1.00 0.00 N ATOM 915 CA THR A 62 -3.468 5.646 -2.785 1.00 0.00 C ATOM 916 C THR A 62 -2.329 6.665 -2.720 1.00 0.00 C ATOM 917 O THR A 62 -2.508 7.826 -3.086 1.00 0.00 O ATOM 918 CB THR A 62 -4.095 5.524 -4.175 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.425 5.083 -3.918 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.479 4.390 -4.998 1.00 0.00 C ATOM 0 H THR A 62 -5.072 6.815 -2.114 1.00 0.00 H new ATOM 0 HA THR A 62 -3.019 4.686 -2.530 1.00 0.00 H new ATOM 0 HB THR A 62 -3.977 6.466 -4.710 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.905 4.979 -4.766 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.960 4.347 -5.975 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.412 4.572 -5.126 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.626 3.443 -4.479 1.00 0.00 H new ATOM 928 N GLY A 63 -1.182 6.195 -2.251 1.00 0.00 N ATOM 929 CA GLY A 63 -0.014 7.051 -2.132 1.00 0.00 C ATOM 930 C GLY A 63 1.272 6.262 -2.390 1.00 0.00 C ATOM 931 O GLY A 63 1.222 5.080 -2.726 1.00 0.00 O ATOM 0 H GLY A 63 -1.037 5.232 -1.949 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.088 7.875 -2.842 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.019 7.491 -1.135 1.00 0.00 H new ATOM 935 N TRP A 64 2.392 6.949 -2.221 1.00 0.00 N ATOM 936 CA TRP A 64 3.689 6.327 -2.431 1.00 0.00 C ATOM 937 C TRP A 64 4.200 5.832 -1.077 1.00 0.00 C ATOM 938 O TRP A 64 4.215 6.583 -0.102 1.00 0.00 O ATOM 939 CB TRP A 64 4.656 7.294 -3.118 1.00 0.00 C ATOM 940 CG TRP A 64 4.419 7.447 -4.622 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.688 8.376 -5.252 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.950 6.603 -5.665 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.708 8.193 -6.620 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.500 7.081 -6.879 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.783 5.473 -5.586 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.830 6.491 -8.105 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.104 4.895 -6.820 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.659 5.364 -8.051 1.00 0.00 C ATOM 0 H TRP A 64 2.429 7.929 -1.941 1.00 0.00 H new ATOM 0 HA TRP A 64 3.604 5.474 -3.104 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.572 8.273 -2.646 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.677 6.948 -2.955 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.151 9.168 -4.752 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.229 8.768 -7.313 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.147 5.082 -4.647 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.465 6.884 -9.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.742 4.024 -6.816 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.951 4.861 -8.961 1.00 0.00 H new ATOM 959 N PHE A 65 4.607 4.571 -1.059 1.00 0.00 N ATOM 960 CA PHE A 65 5.118 3.967 0.160 1.00 0.00 C ATOM 961 C PHE A 65 6.419 3.208 -0.108 1.00 0.00 C ATOM 962 O PHE A 65 6.503 2.428 -1.056 1.00 0.00 O ATOM 963 CB PHE A 65 4.057 2.980 0.649 1.00 0.00 C ATOM 964 CG PHE A 65 4.094 1.624 -0.060 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.099 0.747 0.204 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.123 1.297 -0.954 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.133 -0.511 -0.454 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.157 0.040 -1.612 1.00 0.00 C ATOM 969 CZ PHE A 65 4.162 -0.838 -1.348 1.00 0.00 C ATOM 0 H PHE A 65 4.593 3.951 -1.869 1.00 0.00 H new ATOM 0 HA PHE A 65 5.326 4.740 0.900 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.188 2.822 1.720 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.071 3.424 0.511 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.871 1.007 0.913 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.325 1.994 -1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.931 -1.208 -0.244 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.385 -0.219 -2.322 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.189 -1.795 -1.848 1.00 0.00 H new ATOM 979 N PRO A 66 7.428 3.468 0.766 1.00 0.00 N ATOM 980 CA PRO A 66 8.720 2.818 0.633 1.00 0.00 C ATOM 981 C PRO A 66 8.651 1.361 1.094 1.00 0.00 C ATOM 982 O PRO A 66 7.823 1.010 1.932 1.00 0.00 O ATOM 983 CB PRO A 66 9.672 3.661 1.466 1.00 0.00 C ATOM 984 CG PRO A 66 8.796 4.475 2.404 1.00 0.00 C ATOM 985 CD PRO A 66 7.365 4.386 1.900 1.00 0.00 C ATOM 0 HA PRO A 66 9.059 2.763 -0.401 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.364 3.031 2.026 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.275 4.311 0.832 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.867 4.091 3.422 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.127 5.513 2.431 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.695 4.013 2.675 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.990 5.364 1.598 1.00 0.00 H new ATOM 993 N GLU A 67 9.533 0.552 0.525 1.00 0.00 N ATOM 994 CA GLU A 67 9.582 -0.860 0.867 1.00 0.00 C ATOM 995 C GLU A 67 10.174 -1.046 2.266 1.00 0.00 C ATOM 996 O GLU A 67 9.760 -1.937 3.005 1.00 0.00 O ATOM 997 CB GLU A 67 10.378 -1.649 -0.175 1.00 0.00 C ATOM 998 CG GLU A 67 11.661 -0.910 -0.560 1.00 0.00 C ATOM 999 CD GLU A 67 12.860 -1.860 -0.565 1.00 0.00 C ATOM 1000 OE1 GLU A 67 12.932 -2.688 0.369 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.679 -1.736 -1.501 1.00 0.00 O ATOM 0 H GLU A 67 10.219 0.847 -0.170 1.00 0.00 H new ATOM 0 HA GLU A 67 8.564 -1.250 0.869 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.626 -2.634 0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.765 -1.808 -1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.544 -0.461 -1.546 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.841 -0.096 0.142 1.00 0.00 H new ATOM 1008 N ASP A 68 11.134 -0.191 2.586 1.00 0.00 N ATOM 1009 CA ASP A 68 11.788 -0.251 3.883 1.00 0.00 C ATOM 1010 C ASP A 68 10.725 -0.280 4.983 1.00 0.00 C ATOM 1011 O ASP A 68 10.978 -0.772 6.082 1.00 0.00 O ATOM 1012 CB ASP A 68 12.671 0.977 4.111 1.00 0.00 C ATOM 1013 CG ASP A 68 14.170 0.685 4.216 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.652 -0.113 3.383 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.799 1.267 5.125 1.00 0.00 O ATOM 0 H ASP A 68 11.475 0.547 1.970 1.00 0.00 H new ATOM 0 HA ASP A 68 12.405 -1.149 3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.509 1.679 3.293 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.348 1.474 5.026 1.00 0.00 H new ATOM 1020 N PHE A 69 9.559 0.254 4.650 1.00 0.00 N ATOM 1021 CA PHE A 69 8.457 0.295 5.597 1.00 0.00 C ATOM 1022 C PHE A 69 7.368 -0.709 5.214 1.00 0.00 C ATOM 1023 O PHE A 69 6.185 -0.464 5.445 1.00 0.00 O ATOM 1024 CB PHE A 69 7.874 1.708 5.542 1.00 0.00 C ATOM 1025 CG PHE A 69 8.813 2.790 6.079 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.884 3.188 5.341 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.577 3.354 7.294 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.756 4.192 5.839 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.449 4.358 7.792 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.520 4.756 7.054 1.00 0.00 C ATOM 0 H PHE A 69 9.353 0.662 3.738 1.00 0.00 H new ATOM 0 HA PHE A 69 8.813 0.040 6.595 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.617 1.944 4.509 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.946 1.730 6.114 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.071 2.740 4.376 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.726 3.038 7.880 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.607 4.508 5.253 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.262 4.806 8.757 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.183 5.520 7.433 1.00 0.00 H new ATOM 1040 N ALA A 70 7.806 -1.817 4.635 1.00 0.00 N ATOM 1041 CA ALA A 70 6.883 -2.859 4.218 1.00 0.00 C ATOM 1042 C ALA A 70 7.671 -4.125 3.876 1.00 0.00 C ATOM 1043 O ALA A 70 8.884 -4.072 3.684 1.00 0.00 O ATOM 1044 CB ALA A 70 6.045 -2.357 3.040 1.00 0.00 C ATOM 0 H ALA A 70 8.788 -2.016 4.445 1.00 0.00 H new ATOM 0 HA ALA A 70 6.194 -3.108 5.025 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.353 -3.138 2.727 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.483 -1.474 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.702 -2.100 2.209 1.00 0.00 H new ATOM 1050 N ARG A 71 6.947 -5.233 3.809 1.00 0.00 N ATOM 1051 CA ARG A 71 7.563 -6.511 3.493 1.00 0.00 C ATOM 1052 C ARG A 71 6.734 -7.255 2.444 1.00 0.00 C ATOM 1053 O ARG A 71 5.606 -7.662 2.715 1.00 0.00 O ATOM 1054 CB ARG A 71 7.694 -7.383 4.743 1.00 0.00 C ATOM 1055 CG ARG A 71 8.903 -6.962 5.581 1.00 0.00 C ATOM 1056 CD ARG A 71 9.251 -8.032 6.618 1.00 0.00 C ATOM 1057 NE ARG A 71 9.821 -7.399 7.828 1.00 0.00 N ATOM 1058 CZ ARG A 71 10.075 -8.052 8.969 1.00 0.00 C ATOM 1059 NH1 ARG A 71 9.811 -9.363 9.064 1.00 0.00 N ATOM 1060 NH2 ARG A 71 10.592 -7.396 10.017 1.00 0.00 N ATOM 0 H ARG A 71 5.940 -5.272 3.968 1.00 0.00 H new ATOM 0 HA ARG A 71 8.559 -6.311 3.098 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.787 -7.305 5.342 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.795 -8.429 4.452 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.760 -6.790 4.929 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.691 -6.019 6.084 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.358 -8.599 6.881 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.965 -8.739 6.197 1.00 0.00 H new ATOM 0 HE ARG A 71 10.034 -6.402 7.790 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.417 -9.863 8.267 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.004 -9.861 9.933 1.00 0.00 H new ATOM 0 HH21 ARG A 71 10.792 -6.398 9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.785 -7.894 10.886 1.00 0.00 H new ATOM 1074 N PHE A 72 7.326 -7.410 1.269 1.00 0.00 N ATOM 1075 CA PHE A 72 6.656 -8.098 0.179 1.00 0.00 C ATOM 1076 C PHE A 72 6.163 -9.477 0.621 1.00 0.00 C ATOM 1077 O PHE A 72 6.957 -10.405 0.773 1.00 0.00 O ATOM 1078 CB PHE A 72 7.685 -8.272 -0.940 1.00 0.00 C ATOM 1079 CG PHE A 72 7.617 -7.192 -2.021 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.653 -7.249 -2.979 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.520 -6.176 -2.025 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.590 -6.246 -3.983 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.457 -5.173 -3.029 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.493 -5.230 -3.987 1.00 0.00 C ATOM 0 H PHE A 72 8.262 -7.071 1.048 1.00 0.00 H new ATOM 0 HA PHE A 72 5.791 -7.521 -0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.684 -8.273 -0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.539 -9.247 -1.405 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.936 -8.056 -2.976 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.286 -6.131 -1.265 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.824 -6.291 -4.743 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.174 -4.366 -3.032 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.445 -4.468 -4.751 1.00 0.00 H new