USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=5 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 Set 1.1: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 30 GLN : amide:sc= -0.233 K(o=-0.23,f=-2.8!) USER MOD Single : A 19 GLN : amide:sc= -0.834 K(o=-0.83,f=-3.8!) USER MOD Single : A 23 THR OG1 : rot 180:sc=-0.00343 USER MOD Single : A 24 LYS NZ :NH3+ -122:sc= 0.205 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0997 USER MOD Single : A 37 GLN : amide:sc= -0.309 K(o=-0.31,f=-1.5) USER MOD Single : A 38 GLN : amide:sc= -0.0878! K(o=-0.088!,f=-0.9) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.506 X(o=-0.51,f=-0.32) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.284 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.239 -7.197 -2.763 1.00 0.00 N ATOM 230 CA GLN A 19 0.862 -6.577 -1.504 1.00 0.00 C ATOM 231 C GLN A 19 2.016 -6.662 -0.504 1.00 0.00 C ATOM 232 O GLN A 19 2.713 -7.673 -0.439 1.00 0.00 O ATOM 233 CB GLN A 19 -0.406 -7.217 -0.935 1.00 0.00 C ATOM 234 CG GLN A 19 -1.645 -6.763 -1.709 1.00 0.00 C ATOM 235 CD GLN A 19 -2.927 -7.188 -0.990 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.046 -7.106 0.222 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.876 -7.646 -1.801 1.00 0.00 N ATOM 0 HA GLN A 19 0.646 -5.525 -1.690 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.322 -8.303 -0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.512 -6.950 0.117 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.630 -5.679 -1.823 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.628 -7.189 -2.712 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.711 -7.688 -2.807 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.769 -7.955 -1.417 1.00 0.00 H new ATOM 246 N VAL A 20 2.183 -5.586 0.251 1.00 0.00 N ATOM 247 CA VAL A 20 3.241 -5.526 1.246 1.00 0.00 C ATOM 248 C VAL A 20 2.649 -5.090 2.588 1.00 0.00 C ATOM 249 O VAL A 20 1.777 -4.225 2.634 1.00 0.00 O ATOM 250 CB VAL A 20 4.363 -4.607 0.760 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.925 -5.088 -0.579 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.883 -3.157 0.665 1.00 0.00 C ATOM 0 H VAL A 20 1.603 -4.749 0.194 1.00 0.00 H new ATOM 0 HA VAL A 20 3.685 -6.511 1.392 1.00 0.00 H new ATOM 0 HB VAL A 20 5.168 -4.645 1.494 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.721 -4.417 -0.902 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.324 -6.096 -0.465 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.131 -5.094 -1.326 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.700 -2.525 0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.052 -3.094 -0.037 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.555 -2.817 1.647 1.00 0.00 H new ATOM 262 N GLU A 21 3.148 -5.710 3.647 1.00 0.00 N ATOM 263 CA GLU A 21 2.680 -5.397 4.987 1.00 0.00 C ATOM 264 C GLU A 21 3.596 -4.360 5.640 1.00 0.00 C ATOM 265 O GLU A 21 4.781 -4.615 5.848 1.00 0.00 O ATOM 266 CB GLU A 21 2.585 -6.661 5.844 1.00 0.00 C ATOM 267 CG GLU A 21 1.948 -6.357 7.201 1.00 0.00 C ATOM 268 CD GLU A 21 1.624 -7.648 7.956 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.452 -8.580 7.868 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.555 -7.673 8.604 1.00 0.00 O ATOM 0 H GLU A 21 3.872 -6.428 3.605 1.00 0.00 H new ATOM 0 HA GLU A 21 1.679 -4.973 4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.995 -7.415 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.580 -7.080 5.991 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.625 -5.744 7.796 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.036 -5.777 7.057 1.00 0.00 H new ATOM 277 N ILE A 22 3.011 -3.210 5.945 1.00 0.00 N ATOM 278 CA ILE A 22 3.759 -2.133 6.570 1.00 0.00 C ATOM 279 C ILE A 22 4.213 -2.575 7.963 1.00 0.00 C ATOM 280 O ILE A 22 3.395 -2.718 8.870 1.00 0.00 O ATOM 281 CB ILE A 22 2.939 -0.842 6.572 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.511 -0.463 5.152 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.701 0.291 7.262 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.710 -0.001 4.322 1.00 0.00 C ATOM 0 H ILE A 22 2.028 -3.001 5.771 1.00 0.00 H new ATOM 0 HA ILE A 22 4.659 -1.911 5.996 1.00 0.00 H new ATOM 0 HB ILE A 22 2.030 -1.016 7.148 1.00 0.00 H new ATOM 0 HG12 ILE A 22 2.039 -1.319 4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.765 0.331 5.193 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.095 1.197 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.914 0.011 8.294 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.638 0.473 6.735 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.378 0.262 3.318 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.165 0.870 4.794 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.443 -0.806 4.262 1.00 0.00 H new ATOM 296 N THR A 23 5.517 -2.778 8.089 1.00 0.00 N ATOM 297 CA THR A 23 6.089 -3.200 9.356 1.00 0.00 C ATOM 298 C THR A 23 5.928 -2.100 10.407 1.00 0.00 C ATOM 299 O THR A 23 5.663 -2.386 11.574 1.00 0.00 O ATOM 300 CB THR A 23 7.546 -3.595 9.108 1.00 0.00 C ATOM 301 OG1 THR A 23 8.141 -2.414 8.577 1.00 0.00 O ATOM 302 CG2 THR A 23 7.691 -4.623 7.983 1.00 0.00 C ATOM 0 H THR A 23 6.193 -2.658 7.335 1.00 0.00 H new ATOM 0 HA THR A 23 5.565 -4.068 9.757 1.00 0.00 H new ATOM 0 HB THR A 23 7.973 -3.998 10.026 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.088 -2.581 8.389 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.744 -4.869 7.848 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.138 -5.526 8.242 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.294 -4.207 7.057 1.00 0.00 H new ATOM 310 N LYS A 24 6.095 -0.866 9.956 1.00 0.00 N ATOM 311 CA LYS A 24 5.971 0.278 10.843 1.00 0.00 C ATOM 312 C LYS A 24 5.225 1.401 10.119 1.00 0.00 C ATOM 313 O LYS A 24 5.303 1.516 8.897 1.00 0.00 O ATOM 314 CB LYS A 24 7.344 0.695 11.373 1.00 0.00 C ATOM 315 CG LYS A 24 8.241 1.198 10.240 1.00 0.00 C ATOM 316 CD LYS A 24 9.716 0.942 10.554 1.00 0.00 C ATOM 317 CE LYS A 24 10.623 1.744 9.617 1.00 0.00 C ATOM 318 NZ LYS A 24 11.009 3.028 10.243 1.00 0.00 N ATOM 0 H LYS A 24 6.315 -0.633 8.988 1.00 0.00 H new ATOM 0 HA LYS A 24 5.381 0.017 11.721 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.226 1.478 12.122 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.819 -0.152 11.869 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.972 0.699 9.309 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.078 2.265 10.088 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.924 1.215 11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.934 -0.121 10.455 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.516 1.165 9.381 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.107 1.932 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.709 3.815 9.633 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.548 3.114 11.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.041 3.058 10.365 1.00 0.00 H new ATOM 332 N ALA A 25 4.518 2.200 10.904 1.00 0.00 N ATOM 333 CA ALA A 25 3.758 3.310 10.354 1.00 0.00 C ATOM 334 C ALA A 25 4.657 4.125 9.422 1.00 0.00 C ATOM 335 O ALA A 25 5.867 4.204 9.632 1.00 0.00 O ATOM 336 CB ALA A 25 3.185 4.152 11.495 1.00 0.00 C ATOM 0 H ALA A 25 4.455 2.101 11.917 1.00 0.00 H new ATOM 0 HA ALA A 25 2.917 2.945 9.765 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.615 4.984 11.082 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.531 3.534 12.110 1.00 0.00 H new ATOM 0 HB3 ALA A 25 4.000 4.538 12.107 1.00 0.00 H new ATOM 342 N PHE A 26 4.031 4.712 8.413 1.00 0.00 N ATOM 343 CA PHE A 26 4.759 5.519 7.448 1.00 0.00 C ATOM 344 C PHE A 26 4.088 6.880 7.253 1.00 0.00 C ATOM 345 O PHE A 26 3.328 7.071 6.305 1.00 0.00 O ATOM 346 CB PHE A 26 4.737 4.758 6.121 1.00 0.00 C ATOM 347 CG PHE A 26 4.962 5.643 4.893 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.124 6.336 4.758 1.00 0.00 C ATOM 349 CD2 PHE A 26 3.999 5.735 3.937 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.332 7.157 3.618 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.207 6.556 2.797 1.00 0.00 C ATOM 352 CZ PHE A 26 5.369 7.250 2.661 1.00 0.00 C ATOM 0 H PHE A 26 3.028 4.645 8.242 1.00 0.00 H new ATOM 0 HA PHE A 26 5.776 5.693 7.801 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.505 3.985 6.145 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.777 4.251 6.020 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.888 6.262 5.517 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.076 5.184 4.045 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.255 7.708 3.511 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.442 6.629 2.038 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.527 7.874 1.794 1.00 0.00 H new ATOM 362 N PHE A 27 4.392 7.790 8.167 1.00 0.00 N ATOM 363 CA PHE A 27 3.828 9.128 8.107 1.00 0.00 C ATOM 364 C PHE A 27 4.168 9.808 6.780 1.00 0.00 C ATOM 365 O PHE A 27 5.340 10.009 6.464 1.00 0.00 O ATOM 366 CB PHE A 27 4.452 9.928 9.252 1.00 0.00 C ATOM 367 CG PHE A 27 4.232 9.312 10.635 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.995 8.878 10.997 1.00 0.00 C ATOM 369 CD2 PHE A 27 5.274 9.197 11.502 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.791 8.306 12.281 1.00 0.00 C ATOM 371 CE2 PHE A 27 5.070 8.625 12.785 1.00 0.00 C ATOM 372 CZ PHE A 27 3.833 8.191 13.147 1.00 0.00 C ATOM 0 H PHE A 27 5.021 7.627 8.953 1.00 0.00 H new ATOM 0 HA PHE A 27 2.742 9.078 8.190 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.523 10.022 9.074 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.038 10.936 9.245 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.168 8.968 10.308 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.256 9.541 11.214 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.809 7.963 12.569 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.897 8.534 13.474 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.678 7.755 14.123 1.00 0.00 H new ATOM 382 N ALA A 28 3.123 10.144 6.039 1.00 0.00 N ATOM 383 CA ALA A 28 3.296 10.798 4.752 1.00 0.00 C ATOM 384 C ALA A 28 3.667 12.265 4.977 1.00 0.00 C ATOM 385 O ALA A 28 3.021 12.960 5.760 1.00 0.00 O ATOM 386 CB ALA A 28 2.020 10.640 3.923 1.00 0.00 C ATOM 0 H ALA A 28 2.153 9.976 6.305 1.00 0.00 H new ATOM 0 HA ALA A 28 4.108 10.334 4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.150 11.130 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.816 9.581 3.767 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.183 11.096 4.452 1.00 0.00 H new ATOM 392 N LYS A 29 4.707 12.693 4.276 1.00 0.00 N ATOM 393 CA LYS A 29 5.172 14.065 4.389 1.00 0.00 C ATOM 394 C LYS A 29 4.790 14.834 3.123 1.00 0.00 C ATOM 395 O LYS A 29 4.476 16.022 3.185 1.00 0.00 O ATOM 396 CB LYS A 29 6.670 14.099 4.701 1.00 0.00 C ATOM 397 CG LYS A 29 7.498 13.860 3.437 1.00 0.00 C ATOM 398 CD LYS A 29 8.033 15.178 2.874 1.00 0.00 C ATOM 399 CE LYS A 29 9.555 15.136 2.732 1.00 0.00 C ATOM 400 NZ LYS A 29 9.938 14.925 1.318 1.00 0.00 N ATOM 0 H LYS A 29 5.241 12.114 3.628 1.00 0.00 H new ATOM 0 HA LYS A 29 4.684 14.565 5.226 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.933 15.063 5.135 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.908 13.339 5.445 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.330 13.193 3.664 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.885 13.362 2.686 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.579 15.374 1.903 1.00 0.00 H new ATOM 0 HD3 LYS A 29 7.748 16.000 3.530 1.00 0.00 H new ATOM 0 HE2 LYS A 29 9.986 16.068 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.962 14.334 3.349 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.975 14.899 1.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.543 14.024 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.566 15.704 0.738 1.00 0.00 H new ATOM 414 N GLN A 30 4.829 14.126 2.004 1.00 0.00 N ATOM 415 CA GLN A 30 4.490 14.728 0.726 1.00 0.00 C ATOM 416 C GLN A 30 2.981 14.650 0.485 1.00 0.00 C ATOM 417 O GLN A 30 2.231 14.218 1.359 1.00 0.00 O ATOM 418 CB GLN A 30 5.262 14.062 -0.415 1.00 0.00 C ATOM 419 CG GLN A 30 6.706 14.566 -0.468 1.00 0.00 C ATOM 420 CD GLN A 30 7.168 14.757 -1.914 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.387 14.731 -2.851 1.00 0.00 O ATOM 422 NE2 GLN A 30 8.478 14.949 -2.042 1.00 0.00 N ATOM 0 H GLN A 30 5.090 13.141 1.956 1.00 0.00 H new ATOM 0 HA GLN A 30 4.780 15.778 0.753 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.255 12.980 -0.281 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.766 14.268 -1.363 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.785 15.510 0.070 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.361 13.856 0.036 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.075 14.959 -1.215 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.885 15.086 -2.967 1.00 0.00 H new ATOM 431 N ALA A 31 2.581 15.075 -0.704 1.00 0.00 N ATOM 432 CA ALA A 31 1.175 15.058 -1.071 1.00 0.00 C ATOM 433 C ALA A 31 0.867 13.771 -1.838 1.00 0.00 C ATOM 434 O ALA A 31 -0.289 13.491 -2.150 1.00 0.00 O ATOM 435 CB ALA A 31 0.844 16.313 -1.881 1.00 0.00 C ATOM 0 H ALA A 31 3.206 15.433 -1.426 1.00 0.00 H new ATOM 0 HA ALA A 31 0.546 15.069 -0.181 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.211 16.301 -2.156 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.052 17.199 -1.281 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.455 16.335 -2.784 1.00 0.00 H new ATOM 441 N ASP A 32 1.923 13.021 -2.120 1.00 0.00 N ATOM 442 CA ASP A 32 1.780 11.770 -2.845 1.00 0.00 C ATOM 443 C ASP A 32 1.917 10.601 -1.868 1.00 0.00 C ATOM 444 O ASP A 32 1.376 9.522 -2.105 1.00 0.00 O ATOM 445 CB ASP A 32 2.867 11.625 -3.912 1.00 0.00 C ATOM 446 CG ASP A 32 2.352 11.348 -5.326 1.00 0.00 C ATOM 447 OD1 ASP A 32 1.237 10.793 -5.425 1.00 0.00 O ATOM 448 OD2 ASP A 32 3.086 11.698 -6.276 1.00 0.00 O ATOM 0 H ASP A 32 2.881 13.256 -1.859 1.00 0.00 H new ATOM 0 HA ASP A 32 0.801 11.768 -3.325 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.461 12.539 -3.930 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.536 10.815 -3.620 1.00 0.00 H new ATOM 453 N GLU A 33 2.645 10.855 -0.790 1.00 0.00 N ATOM 454 CA GLU A 33 2.860 9.837 0.224 1.00 0.00 C ATOM 455 C GLU A 33 1.579 9.612 1.031 1.00 0.00 C ATOM 456 O GLU A 33 0.834 10.555 1.294 1.00 0.00 O ATOM 457 CB GLU A 33 4.026 10.213 1.140 1.00 0.00 C ATOM 458 CG GLU A 33 5.353 10.179 0.379 1.00 0.00 C ATOM 459 CD GLU A 33 6.438 10.949 1.134 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.168 11.316 2.298 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.513 11.154 0.531 1.00 0.00 O ATOM 0 H GLU A 33 3.093 11.751 -0.597 1.00 0.00 H new ATOM 0 HA GLU A 33 3.120 8.904 -0.276 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.864 11.209 1.551 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.068 9.523 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.668 9.145 0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.219 10.611 -0.613 1.00 0.00 H new ATOM 468 N VAL A 34 1.364 8.359 1.402 1.00 0.00 N ATOM 469 CA VAL A 34 0.186 7.999 2.174 1.00 0.00 C ATOM 470 C VAL A 34 0.620 7.487 3.549 1.00 0.00 C ATOM 471 O VAL A 34 1.650 6.826 3.673 1.00 0.00 O ATOM 472 CB VAL A 34 -0.658 6.986 1.398 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.191 5.798 0.943 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.854 6.518 2.230 1.00 0.00 C ATOM 0 H VAL A 34 1.985 7.580 1.183 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.446 8.872 2.337 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.042 7.483 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.434 5.093 0.394 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.994 6.151 0.296 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.618 5.301 1.814 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.438 5.799 1.656 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.498 6.047 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.480 7.374 2.482 1.00 0.00 H new ATOM 484 N THR A 35 -0.187 7.812 4.548 1.00 0.00 N ATOM 485 CA THR A 35 0.100 7.394 5.909 1.00 0.00 C ATOM 486 C THR A 35 -0.333 5.942 6.124 1.00 0.00 C ATOM 487 O THR A 35 -1.463 5.575 5.807 1.00 0.00 O ATOM 488 CB THR A 35 -0.582 8.378 6.861 1.00 0.00 C ATOM 489 OG1 THR A 35 -0.042 9.645 6.495 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.141 8.190 8.314 1.00 0.00 C ATOM 0 H THR A 35 -1.040 8.361 4.442 1.00 0.00 H new ATOM 0 HA THR A 35 1.171 7.414 6.110 1.00 0.00 H new ATOM 0 HB THR A 35 -1.663 8.259 6.793 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.432 10.343 7.062 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.655 8.913 8.947 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.389 7.180 8.642 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.936 8.342 8.390 1.00 0.00 H new ATOM 498 N LEU A 36 0.589 5.156 6.660 1.00 0.00 N ATOM 499 CA LEU A 36 0.317 3.753 6.921 1.00 0.00 C ATOM 500 C LEU A 36 0.592 3.450 8.395 1.00 0.00 C ATOM 501 O LEU A 36 1.311 4.192 9.061 1.00 0.00 O ATOM 502 CB LEU A 36 1.103 2.866 5.953 1.00 0.00 C ATOM 503 CG LEU A 36 1.190 3.362 4.508 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.470 2.865 3.834 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.062 2.972 3.719 1.00 0.00 C ATOM 0 H LEU A 36 1.526 5.464 6.921 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.734 3.529 6.740 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.116 2.751 6.338 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.649 1.875 5.949 1.00 0.00 H new ATOM 0 HG LEU A 36 1.236 4.451 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.507 3.232 2.808 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.337 3.234 4.383 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.480 1.775 3.830 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.025 3.336 2.695 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.163 1.887 3.711 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.940 3.415 4.188 1.00 0.00 H new ATOM 517 N GLN A 37 0.005 2.357 8.860 1.00 0.00 N ATOM 518 CA GLN A 37 0.178 1.946 10.243 1.00 0.00 C ATOM 519 C GLN A 37 0.997 0.656 10.315 1.00 0.00 C ATOM 520 O GLN A 37 1.363 0.090 9.286 1.00 0.00 O ATOM 521 CB GLN A 37 -1.175 1.776 10.938 1.00 0.00 C ATOM 522 CG GLN A 37 -1.731 3.127 11.392 1.00 0.00 C ATOM 523 CD GLN A 37 -0.865 3.734 12.498 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.121 3.052 13.184 1.00 0.00 O ATOM 525 NE2 GLN A 37 -1.001 5.050 12.631 1.00 0.00 N ATOM 0 H GLN A 37 -0.591 1.744 8.304 1.00 0.00 H new ATOM 0 HA GLN A 37 0.724 2.730 10.769 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.880 1.299 10.258 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.066 1.116 11.798 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.774 3.810 10.543 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.752 3.001 11.753 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.642 5.560 12.023 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.464 5.549 13.341 1.00 0.00 H new ATOM 534 N GLN A 38 1.260 0.227 11.541 1.00 0.00 N ATOM 535 CA GLN A 38 2.029 -0.986 11.761 1.00 0.00 C ATOM 536 C GLN A 38 1.168 -2.219 11.479 1.00 0.00 C ATOM 537 O GLN A 38 0.081 -2.362 12.037 1.00 0.00 O ATOM 538 CB GLN A 38 2.596 -1.026 13.182 1.00 0.00 C ATOM 539 CG GLN A 38 3.325 -2.345 13.444 1.00 0.00 C ATOM 540 CD GLN A 38 4.478 -2.148 14.431 1.00 0.00 C ATOM 541 OE1 GLN A 38 4.340 -1.522 15.469 1.00 0.00 O ATOM 542 NE2 GLN A 38 5.619 -2.714 14.050 1.00 0.00 N ATOM 0 H GLN A 38 0.954 0.698 12.392 1.00 0.00 H new ATOM 0 HA GLN A 38 2.871 -0.989 11.069 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.282 -0.192 13.327 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.788 -0.903 13.903 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.624 -3.080 13.840 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.709 -2.745 12.506 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.666 -3.224 13.168 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.448 -2.638 14.640 1.00 0.00 H new ATOM 551 N ALA A 39 1.686 -3.078 10.613 1.00 0.00 N ATOM 552 CA ALA A 39 0.978 -4.293 10.251 1.00 0.00 C ATOM 553 C ALA A 39 -0.247 -3.933 9.408 1.00 0.00 C ATOM 554 O ALA A 39 -1.350 -4.407 9.676 1.00 0.00 O ATOM 555 CB ALA A 39 0.607 -5.066 11.518 1.00 0.00 C ATOM 0 H ALA A 39 2.588 -2.956 10.152 1.00 0.00 H new ATOM 0 HA ALA A 39 1.614 -4.942 9.648 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.076 -5.978 11.245 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.514 -5.324 12.065 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.033 -4.447 12.147 1.00 0.00 H new ATOM 561 N ASP A 40 -0.012 -3.098 8.407 1.00 0.00 N ATOM 562 CA ASP A 40 -1.083 -2.668 7.524 1.00 0.00 C ATOM 563 C ASP A 40 -0.956 -3.396 6.184 1.00 0.00 C ATOM 564 O ASP A 40 -0.021 -4.170 5.980 1.00 0.00 O ATOM 565 CB ASP A 40 -1.004 -1.164 7.254 1.00 0.00 C ATOM 566 CG ASP A 40 -1.734 -0.286 8.271 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.882 -0.752 9.421 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.128 0.833 7.876 1.00 0.00 O ATOM 0 H ASP A 40 0.904 -2.708 8.188 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.032 -2.898 8.008 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.045 -0.869 7.229 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.415 -0.966 6.264 1.00 0.00 H new ATOM 573 N VAL A 41 -1.909 -3.123 5.305 1.00 0.00 N ATOM 574 CA VAL A 41 -1.915 -3.742 3.991 1.00 0.00 C ATOM 575 C VAL A 41 -2.114 -2.663 2.925 1.00 0.00 C ATOM 576 O VAL A 41 -2.986 -1.806 3.059 1.00 0.00 O ATOM 577 CB VAL A 41 -2.979 -4.841 3.936 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.910 -5.604 2.611 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.845 -5.794 5.125 1.00 0.00 C ATOM 0 H VAL A 41 -2.683 -2.481 5.477 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.958 -4.224 3.791 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.957 -4.364 3.998 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.676 -6.379 2.597 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.077 -4.914 1.784 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.927 -6.063 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.613 -6.565 5.062 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.860 -6.260 5.108 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.967 -5.236 6.054 1.00 0.00 H new ATOM 589 N VAL A 42 -1.291 -2.741 1.889 1.00 0.00 N ATOM 590 CA VAL A 42 -1.366 -1.782 0.800 1.00 0.00 C ATOM 591 C VAL A 42 -1.222 -2.518 -0.533 1.00 0.00 C ATOM 592 O VAL A 42 -0.302 -3.315 -0.710 1.00 0.00 O ATOM 593 CB VAL A 42 -0.316 -0.686 0.995 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.227 0.214 -0.239 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.606 0.135 2.253 1.00 0.00 C ATOM 0 H VAL A 42 -0.569 -3.453 1.781 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.337 -1.286 0.794 1.00 0.00 H new ATOM 0 HB VAL A 42 0.652 -1.170 1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.526 0.984 -0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.050 -0.385 -1.107 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.194 0.685 -0.417 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.155 0.907 2.367 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.586 0.603 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.594 -0.519 3.125 1.00 0.00 H new ATOM 605 N LEU A 43 -2.145 -2.225 -1.437 1.00 0.00 N ATOM 606 CA LEU A 43 -2.133 -2.849 -2.749 1.00 0.00 C ATOM 607 C LEU A 43 -1.233 -2.040 -3.685 1.00 0.00 C ATOM 608 O LEU A 43 -1.579 -0.926 -4.075 1.00 0.00 O ATOM 609 CB LEU A 43 -3.560 -3.029 -3.271 1.00 0.00 C ATOM 610 CG LEU A 43 -3.707 -3.856 -4.549 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.580 -5.351 -4.253 1.00 0.00 C ATOM 612 CD2 LEU A 43 -5.016 -3.524 -5.269 1.00 0.00 C ATOM 0 H LEU A 43 -2.907 -1.563 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.712 -3.853 -2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.156 -3.498 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.988 -2.042 -3.449 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.892 -3.591 -5.222 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.688 -5.916 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.602 -5.554 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.359 -5.651 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.096 -4.126 -6.174 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.858 -3.743 -4.612 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.028 -2.467 -5.534 1.00 0.00 H new ATOM 624 N VAL A 44 -0.095 -2.633 -4.019 1.00 0.00 N ATOM 625 CA VAL A 44 0.857 -1.981 -4.902 1.00 0.00 C ATOM 626 C VAL A 44 0.177 -1.671 -6.238 1.00 0.00 C ATOM 627 O VAL A 44 -0.586 -2.486 -6.754 1.00 0.00 O ATOM 628 CB VAL A 44 2.108 -2.849 -5.055 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.074 -2.243 -6.074 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.796 -3.061 -3.705 1.00 0.00 C ATOM 0 H VAL A 44 0.188 -3.557 -3.694 1.00 0.00 H new ATOM 0 HA VAL A 44 1.186 -1.033 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 44 1.796 -3.824 -5.429 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.954 -2.879 -6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.581 -2.168 -7.043 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.376 -1.250 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.682 -3.681 -3.842 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.089 -2.096 -3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.108 -3.557 -3.020 1.00 0.00 H new ATOM 640 N LEU A 45 0.480 -0.492 -6.759 1.00 0.00 N ATOM 641 CA LEU A 45 -0.092 -0.064 -8.025 1.00 0.00 C ATOM 642 C LEU A 45 1.036 0.238 -9.013 1.00 0.00 C ATOM 643 O LEU A 45 0.945 -0.109 -10.190 1.00 0.00 O ATOM 644 CB LEU A 45 -1.052 1.108 -7.810 1.00 0.00 C ATOM 645 CG LEU A 45 -2.387 0.768 -7.145 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.944 1.975 -6.387 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.386 0.223 -8.168 1.00 0.00 C ATOM 0 H LEU A 45 1.114 0.181 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.693 -0.862 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.547 1.859 -7.202 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.257 1.566 -8.778 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.213 -0.021 -6.413 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.893 1.707 -5.923 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.236 2.278 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.100 2.801 -7.081 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.327 -0.011 -7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.561 0.972 -8.940 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.983 -0.681 -8.624 1.00 0.00 H new ATOM 659 N GLN A 46 2.075 0.881 -8.499 1.00 0.00 N ATOM 660 CA GLN A 46 3.219 1.234 -9.321 1.00 0.00 C ATOM 661 C GLN A 46 4.518 1.026 -8.540 1.00 0.00 C ATOM 662 O GLN A 46 4.735 1.661 -7.509 1.00 0.00 O ATOM 663 CB GLN A 46 3.108 2.673 -9.828 1.00 0.00 C ATOM 664 CG GLN A 46 2.632 2.707 -11.282 1.00 0.00 C ATOM 665 CD GLN A 46 1.398 3.599 -11.434 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.484 4.813 -11.520 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.248 2.931 -11.462 1.00 0.00 N ATOM 0 H GLN A 46 2.148 1.167 -7.522 1.00 0.00 H new ATOM 0 HA GLN A 46 3.232 0.578 -10.191 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.413 3.231 -9.201 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.076 3.167 -9.747 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.433 3.076 -11.922 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.398 1.696 -11.616 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.247 1.914 -11.385 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.633 3.436 -11.560 1.00 0.00 H new ATOM 676 N GLN A 47 5.349 0.135 -9.062 1.00 0.00 N ATOM 677 CA GLN A 47 6.621 -0.163 -8.426 1.00 0.00 C ATOM 678 C GLN A 47 7.738 0.671 -9.056 1.00 0.00 C ATOM 679 O GLN A 47 8.078 0.479 -10.222 1.00 0.00 O ATOM 680 CB GLN A 47 6.938 -1.658 -8.510 1.00 0.00 C ATOM 681 CG GLN A 47 6.416 -2.399 -7.278 1.00 0.00 C ATOM 682 CD GLN A 47 7.035 -3.795 -7.175 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.366 -4.809 -7.295 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.345 -3.791 -6.946 1.00 0.00 N ATOM 0 H GLN A 47 5.166 -0.390 -9.917 1.00 0.00 H new ATOM 0 HA GLN A 47 6.549 0.101 -7.371 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.488 -2.079 -9.409 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.015 -1.801 -8.595 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.648 -1.827 -6.380 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.330 -2.482 -7.332 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.844 -2.906 -6.856 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.850 -4.673 -6.860 1.00 0.00 H new ATOM 693 N GLU A 48 8.278 1.578 -8.256 1.00 0.00 N ATOM 694 CA GLU A 48 9.350 2.442 -8.721 1.00 0.00 C ATOM 695 C GLU A 48 10.602 2.244 -7.863 1.00 0.00 C ATOM 696 O GLU A 48 10.594 2.544 -6.670 1.00 0.00 O ATOM 697 CB GLU A 48 8.912 3.908 -8.721 1.00 0.00 C ATOM 698 CG GLU A 48 9.841 4.758 -9.590 1.00 0.00 C ATOM 699 CD GLU A 48 9.946 6.185 -9.048 1.00 0.00 C ATOM 700 OE1 GLU A 48 8.957 6.930 -9.218 1.00 0.00 O ATOM 701 OE2 GLU A 48 11.012 6.498 -8.476 1.00 0.00 O ATOM 0 H GLU A 48 7.994 1.734 -7.289 1.00 0.00 H new ATOM 0 HA GLU A 48 9.590 2.169 -9.748 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.890 3.986 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.911 4.291 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.831 4.304 -9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.467 4.781 -10.614 1.00 0.00 H new ATOM 708 N ASP A 49 11.646 1.740 -8.504 1.00 0.00 N ATOM 709 CA ASP A 49 12.902 1.498 -7.814 1.00 0.00 C ATOM 710 C ASP A 49 13.162 2.636 -6.824 1.00 0.00 C ATOM 711 O ASP A 49 13.581 3.723 -7.219 1.00 0.00 O ATOM 712 CB ASP A 49 14.071 1.452 -8.799 1.00 0.00 C ATOM 713 CG ASP A 49 14.477 0.049 -9.256 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.227 -0.896 -8.477 1.00 0.00 O ATOM 715 OD2 ASP A 49 15.029 -0.046 -10.373 1.00 0.00 O ATOM 0 H ASP A 49 11.648 1.493 -9.494 1.00 0.00 H new ATOM 0 HA ASP A 49 12.826 0.540 -7.300 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.810 2.042 -9.677 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.934 1.932 -8.338 1.00 0.00 H new ATOM 720 N GLY A 50 12.904 2.346 -5.558 1.00 0.00 N ATOM 721 CA GLY A 50 13.105 3.331 -4.508 1.00 0.00 C ATOM 722 C GLY A 50 11.831 3.522 -3.684 1.00 0.00 C ATOM 723 O GLY A 50 11.883 3.569 -2.456 1.00 0.00 O ATOM 0 H GLY A 50 12.557 1.443 -5.235 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.919 3.013 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.403 4.282 -4.949 1.00 0.00 H new ATOM 727 N TRP A 51 10.716 3.627 -4.393 1.00 0.00 N ATOM 728 CA TRP A 51 9.430 3.812 -3.742 1.00 0.00 C ATOM 729 C TRP A 51 8.424 2.871 -4.407 1.00 0.00 C ATOM 730 O TRP A 51 8.480 2.650 -5.616 1.00 0.00 O ATOM 731 CB TRP A 51 8.998 5.279 -3.788 1.00 0.00 C ATOM 732 CG TRP A 51 9.808 6.195 -2.869 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.052 6.659 -3.054 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.377 6.744 -1.606 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.452 7.463 -2.006 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.402 7.517 -1.098 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.162 6.593 -0.915 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.316 8.198 0.122 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.092 7.280 0.303 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.114 8.062 0.828 1.00 0.00 C ATOM 0 H TRP A 51 10.677 3.587 -5.411 1.00 0.00 H new ATOM 0 HA TRP A 51 9.494 3.561 -2.683 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.085 5.641 -4.813 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.945 5.346 -3.514 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.664 6.432 -3.915 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.353 7.932 -1.915 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.347 5.994 -1.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.133 8.796 0.499 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.180 7.196 0.875 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.982 8.562 1.776 1.00 0.00 H new ATOM 751 N LEU A 52 7.526 2.342 -3.589 1.00 0.00 N ATOM 752 CA LEU A 52 6.508 1.430 -4.083 1.00 0.00 C ATOM 753 C LEU A 52 5.128 2.060 -3.890 1.00 0.00 C ATOM 754 O LEU A 52 4.702 2.297 -2.760 1.00 0.00 O ATOM 755 CB LEU A 52 6.655 0.056 -3.426 1.00 0.00 C ATOM 756 CG LEU A 52 8.088 -0.444 -3.230 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.780 -0.666 -4.576 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.881 0.503 -2.327 1.00 0.00 C ATOM 0 H LEU A 52 7.482 2.528 -2.587 1.00 0.00 H new ATOM 0 HA LEU A 52 6.634 1.261 -5.152 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.166 0.087 -2.453 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.116 -0.673 -4.031 1.00 0.00 H new ATOM 0 HG LEU A 52 8.047 -1.410 -2.726 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.797 -1.021 -4.408 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.227 -1.408 -5.152 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.810 0.273 -5.129 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.896 0.124 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.916 1.494 -2.780 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.397 0.567 -1.352 1.00 0.00 H new ATOM 770 N TYR A 53 4.466 2.314 -5.009 1.00 0.00 N ATOM 771 CA TYR A 53 3.142 2.912 -4.977 1.00 0.00 C ATOM 772 C TYR A 53 2.059 1.838 -4.855 1.00 0.00 C ATOM 773 O TYR A 53 2.176 0.763 -5.440 1.00 0.00 O ATOM 774 CB TYR A 53 2.975 3.638 -6.313 1.00 0.00 C ATOM 775 CG TYR A 53 1.756 4.560 -6.372 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.681 5.659 -5.540 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.730 4.293 -7.256 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.533 6.527 -5.595 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.417 5.162 -7.311 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.459 6.236 -6.478 1.00 0.00 C ATOM 781 OH TYR A 53 -1.543 7.055 -6.530 1.00 0.00 O ATOM 0 H TYR A 53 4.822 2.116 -5.944 1.00 0.00 H new ATOM 0 HA TYR A 53 3.043 3.581 -4.122 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.872 4.225 -6.510 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.897 2.898 -7.110 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.483 5.868 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.787 3.433 -7.906 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.462 7.390 -4.949 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.226 4.965 -7.999 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.170 6.725 -7.207 1.00 0.00 H new ATOM 791 N GLY A 54 1.028 2.168 -4.091 1.00 0.00 N ATOM 792 CA GLY A 54 -0.076 1.246 -3.884 1.00 0.00 C ATOM 793 C GLY A 54 -1.294 1.969 -3.305 1.00 0.00 C ATOM 794 O GLY A 54 -1.302 3.194 -3.203 1.00 0.00 O ATOM 0 H GLY A 54 0.934 3.061 -3.608 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.344 0.776 -4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.233 0.449 -3.208 1.00 0.00 H new ATOM 798 N GLU A 55 -2.293 1.179 -2.941 1.00 0.00 N ATOM 799 CA GLU A 55 -3.513 1.728 -2.375 1.00 0.00 C ATOM 800 C GLU A 55 -3.874 0.997 -1.081 1.00 0.00 C ATOM 801 O GLU A 55 -4.121 -0.208 -1.092 1.00 0.00 O ATOM 802 CB GLU A 55 -4.664 1.661 -3.382 1.00 0.00 C ATOM 803 CG GLU A 55 -5.978 2.117 -2.745 1.00 0.00 C ATOM 804 CD GLU A 55 -7.044 1.025 -2.844 1.00 0.00 C ATOM 805 OE1 GLU A 55 -6.730 -0.114 -2.437 1.00 0.00 O ATOM 806 OE2 GLU A 55 -8.150 1.353 -3.326 1.00 0.00 O ATOM 0 H GLU A 55 -2.282 0.163 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.340 2.778 -2.140 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.436 2.290 -4.243 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.770 0.641 -3.751 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.810 2.372 -1.699 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.332 3.021 -3.240 1.00 0.00 H new ATOM 813 N ARG A 56 -3.893 1.756 0.005 1.00 0.00 N ATOM 814 CA ARG A 56 -4.220 1.195 1.305 1.00 0.00 C ATOM 815 C ARG A 56 -5.633 0.609 1.290 1.00 0.00 C ATOM 816 O ARG A 56 -6.608 1.333 1.093 1.00 0.00 O ATOM 817 CB ARG A 56 -4.128 2.258 2.402 1.00 0.00 C ATOM 818 CG ARG A 56 -3.954 1.612 3.778 1.00 0.00 C ATOM 819 CD ARG A 56 -3.362 2.605 4.779 1.00 0.00 C ATOM 820 NE ARG A 56 -4.024 3.921 4.638 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.086 4.839 5.613 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.528 4.590 6.805 1.00 0.00 N ATOM 823 NH2 ARG A 56 -4.708 6.006 5.395 1.00 0.00 N ATOM 0 H ARG A 56 -3.687 2.755 0.011 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.498 0.406 1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.288 2.923 2.200 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.029 2.871 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.918 1.256 4.141 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.303 0.742 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.491 2.231 5.795 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.290 2.708 4.611 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.460 4.143 3.743 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.056 3.701 6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.576 5.289 7.546 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.134 6.195 4.488 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.756 6.705 6.136 1.00 0.00 H new ATOM 837 N LEU A 57 -5.699 -0.698 1.501 1.00 0.00 N ATOM 838 CA LEU A 57 -6.977 -1.390 1.515 1.00 0.00 C ATOM 839 C LEU A 57 -7.803 -0.903 2.707 1.00 0.00 C ATOM 840 O LEU A 57 -9.019 -1.081 2.738 1.00 0.00 O ATOM 841 CB LEU A 57 -6.765 -2.905 1.490 1.00 0.00 C ATOM 842 CG LEU A 57 -6.138 -3.474 0.216 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.854 -2.948 -1.030 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.634 -3.195 0.173 1.00 0.00 C ATOM 0 H LEU A 57 -4.888 -1.296 1.664 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.547 -1.156 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.133 -3.177 2.335 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.729 -3.389 1.644 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.265 -4.557 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.388 -3.368 -1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.904 -3.240 -0.997 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.781 -1.861 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.213 -3.610 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.463 -2.119 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.153 -3.657 1.035 1.00 0.00 H new ATOM 856 N ARG A 58 -7.108 -0.300 3.661 1.00 0.00 N ATOM 857 CA ARG A 58 -7.762 0.213 4.852 1.00 0.00 C ATOM 858 C ARG A 58 -8.933 1.120 4.467 1.00 0.00 C ATOM 859 O ARG A 58 -10.088 0.796 4.735 1.00 0.00 O ATOM 860 CB ARG A 58 -6.781 1.001 5.723 1.00 0.00 C ATOM 861 CG ARG A 58 -7.413 1.365 7.068 1.00 0.00 C ATOM 862 CD ARG A 58 -6.398 1.234 8.205 1.00 0.00 C ATOM 863 NE ARG A 58 -7.088 1.312 9.512 1.00 0.00 N ATOM 864 CZ ARG A 58 -7.517 2.453 10.068 1.00 0.00 C ATOM 865 NH1 ARG A 58 -7.331 3.619 9.434 1.00 0.00 N ATOM 866 NH2 ARG A 58 -8.134 2.428 11.257 1.00 0.00 N ATOM 0 H ARG A 58 -6.099 -0.156 3.633 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.131 -0.641 5.421 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.880 0.410 5.888 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.476 1.909 5.203 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.793 2.386 7.031 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.266 0.714 7.261 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.866 0.286 8.121 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.652 2.025 8.131 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.247 0.443 10.021 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.863 3.638 8.528 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -7.658 4.488 9.857 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.277 1.540 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.461 3.297 11.680 1.00 0.00 H new ATOM 880 N ASP A 59 -8.592 2.239 3.843 1.00 0.00 N ATOM 881 CA ASP A 59 -9.600 3.195 3.418 1.00 0.00 C ATOM 882 C ASP A 59 -9.626 3.256 1.889 1.00 0.00 C ATOM 883 O ASP A 59 -10.648 3.595 1.295 1.00 0.00 O ATOM 884 CB ASP A 59 -9.285 4.597 3.942 1.00 0.00 C ATOM 885 CG ASP A 59 -10.045 5.732 3.251 1.00 0.00 C ATOM 886 OD1 ASP A 59 -11.200 5.478 2.848 1.00 0.00 O ATOM 887 OD2 ASP A 59 -9.452 6.827 3.142 1.00 0.00 O ATOM 0 H ASP A 59 -7.632 2.504 3.622 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.562 2.870 3.815 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.507 4.628 5.009 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.216 4.777 3.833 1.00 0.00 H new ATOM 892 N GLY A 60 -8.488 2.925 1.296 1.00 0.00 N ATOM 893 CA GLY A 60 -8.367 2.938 -0.152 1.00 0.00 C ATOM 894 C GLY A 60 -7.445 4.068 -0.615 1.00 0.00 C ATOM 895 O GLY A 60 -7.346 4.343 -1.809 1.00 0.00 O ATOM 0 H GLY A 60 -7.642 2.646 1.792 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.976 1.981 -0.496 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.352 3.060 -0.602 1.00 0.00 H new ATOM 899 N GLU A 61 -6.794 4.692 0.356 1.00 0.00 N ATOM 900 CA GLU A 61 -5.883 5.786 0.063 1.00 0.00 C ATOM 901 C GLU A 61 -4.738 5.299 -0.827 1.00 0.00 C ATOM 902 O GLU A 61 -4.078 4.311 -0.510 1.00 0.00 O ATOM 903 CB GLU A 61 -5.348 6.413 1.351 1.00 0.00 C ATOM 904 CG GLU A 61 -5.695 7.902 1.422 1.00 0.00 C ATOM 905 CD GLU A 61 -4.545 8.705 2.032 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.256 8.468 3.225 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.979 9.538 1.291 1.00 0.00 O ATOM 0 H GLU A 61 -6.879 4.461 1.346 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.433 6.557 -0.476 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.769 5.896 2.213 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.267 6.285 1.400 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.914 8.276 0.422 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.597 8.041 2.019 1.00 0.00 H new ATOM 914 N THR A 62 -4.538 6.015 -1.924 1.00 0.00 N ATOM 915 CA THR A 62 -3.484 5.669 -2.862 1.00 0.00 C ATOM 916 C THR A 62 -2.342 6.684 -2.781 1.00 0.00 C ATOM 917 O THR A 62 -2.517 7.850 -3.134 1.00 0.00 O ATOM 918 CB THR A 62 -4.107 5.565 -4.255 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.432 5.103 -4.010 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.476 4.454 -5.098 1.00 0.00 C ATOM 0 H THR A 62 -5.088 6.833 -2.184 1.00 0.00 H new ATOM 0 HA THR A 62 -3.037 4.705 -2.617 1.00 0.00 H new ATOM 0 HB THR A 62 -4.000 6.519 -4.772 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.908 5.009 -4.861 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.955 4.423 -6.077 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.411 4.651 -5.221 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.612 3.495 -4.597 1.00 0.00 H new ATOM 928 N GLY A 63 -1.199 6.205 -2.313 1.00 0.00 N ATOM 929 CA GLY A 63 -0.029 7.056 -2.181 1.00 0.00 C ATOM 930 C GLY A 63 1.256 6.266 -2.437 1.00 0.00 C ATOM 931 O GLY A 63 1.205 5.095 -2.811 1.00 0.00 O ATOM 0 H GLY A 63 -1.058 5.238 -2.020 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.097 7.885 -2.885 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.001 7.489 -1.181 1.00 0.00 H new ATOM 935 N TRP A 64 2.378 6.939 -2.227 1.00 0.00 N ATOM 936 CA TRP A 64 3.674 6.314 -2.430 1.00 0.00 C ATOM 937 C TRP A 64 4.165 5.792 -1.078 1.00 0.00 C ATOM 938 O TRP A 64 4.120 6.508 -0.079 1.00 0.00 O ATOM 939 CB TRP A 64 4.655 7.288 -3.087 1.00 0.00 C ATOM 940 CG TRP A 64 4.419 7.493 -4.585 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.657 8.420 -5.180 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.985 6.712 -5.659 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.689 8.294 -6.554 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.522 7.223 -6.854 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.858 5.611 -5.621 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.878 6.696 -8.102 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.204 5.096 -6.876 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.747 5.599 -8.089 1.00 0.00 C ATOM 0 H TRP A 64 2.416 7.910 -1.918 1.00 0.00 H new ATOM 0 HA TRP A 64 3.593 5.473 -3.119 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.586 8.252 -2.583 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.671 6.922 -2.936 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.089 9.171 -4.651 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.193 8.879 -7.226 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.232 5.195 -4.697 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.502 7.114 -9.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.873 4.249 -6.904 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.061 5.145 -9.017 1.00 0.00 H new ATOM 959 N PHE A 65 4.622 4.548 -1.090 1.00 0.00 N ATOM 960 CA PHE A 65 5.120 3.922 0.122 1.00 0.00 C ATOM 961 C PHE A 65 6.415 3.154 -0.150 1.00 0.00 C ATOM 962 O PHE A 65 6.487 2.367 -1.092 1.00 0.00 O ATOM 963 CB PHE A 65 4.046 2.939 0.592 1.00 0.00 C ATOM 964 CG PHE A 65 4.101 1.578 -0.106 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.093 0.698 0.196 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.158 1.249 -1.029 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.143 -0.565 -0.451 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.208 -0.014 -1.677 1.00 0.00 C ATOM 969 CZ PHE A 65 4.200 -0.894 -1.374 1.00 0.00 C ATOM 0 H PHE A 65 4.658 3.957 -1.921 1.00 0.00 H new ATOM 0 HA PHE A 65 5.332 4.682 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.150 2.789 1.667 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.064 3.382 0.425 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.843 0.960 0.928 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.371 1.948 -1.269 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.930 -1.264 -0.210 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.459 -0.275 -2.410 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.239 -1.854 -1.867 1.00 0.00 H new ATOM 979 N PRO A 66 7.431 3.416 0.715 1.00 0.00 N ATOM 980 CA PRO A 66 8.720 2.759 0.577 1.00 0.00 C ATOM 981 C PRO A 66 8.647 1.305 1.050 1.00 0.00 C ATOM 982 O PRO A 66 7.815 0.963 1.889 1.00 0.00 O ATOM 983 CB PRO A 66 9.682 3.603 1.397 1.00 0.00 C ATOM 984 CG PRO A 66 8.817 4.428 2.335 1.00 0.00 C ATOM 985 CD PRO A 66 7.381 4.343 1.842 1.00 0.00 C ATOM 0 HA PRO A 66 9.051 2.696 -0.459 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.374 2.974 1.956 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.284 4.245 0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.893 4.051 3.355 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.154 5.464 2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.714 3.980 2.624 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.009 5.320 1.535 1.00 0.00 H new ATOM 993 N GLU A 67 9.529 0.490 0.491 1.00 0.00 N ATOM 994 CA GLU A 67 9.575 -0.919 0.845 1.00 0.00 C ATOM 995 C GLU A 67 10.187 -1.097 2.236 1.00 0.00 C ATOM 996 O GLU A 67 9.778 -1.978 2.990 1.00 0.00 O ATOM 997 CB GLU A 67 10.349 -1.722 -0.202 1.00 0.00 C ATOM 998 CG GLU A 67 11.642 -1.006 -0.596 1.00 0.00 C ATOM 999 CD GLU A 67 12.828 -1.972 -0.588 1.00 0.00 C ATOM 1000 OE1 GLU A 67 12.755 -2.967 -1.342 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.782 -1.694 0.171 1.00 0.00 O ATOM 0 H GLU A 67 10.217 0.778 -0.204 1.00 0.00 H new ATOM 0 HA GLU A 67 8.555 -1.302 0.867 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.582 -2.711 0.192 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.727 -1.870 -1.085 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.532 -0.568 -1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.832 -0.185 0.095 1.00 0.00 H new ATOM 1008 N ASP A 68 11.158 -0.245 2.534 1.00 0.00 N ATOM 1009 CA ASP A 68 11.831 -0.298 3.820 1.00 0.00 C ATOM 1010 C ASP A 68 10.786 -0.280 4.938 1.00 0.00 C ATOM 1011 O ASP A 68 11.058 -0.723 6.053 1.00 0.00 O ATOM 1012 CB ASP A 68 12.748 0.912 4.012 1.00 0.00 C ATOM 1013 CG ASP A 68 14.203 0.574 4.345 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.466 0.316 5.539 1.00 0.00 O ATOM 1015 OD2 ASP A 68 15.018 0.581 3.397 1.00 0.00 O ATOM 0 H ASP A 68 11.494 0.486 1.906 1.00 0.00 H new ATOM 0 HA ASP A 68 12.426 -1.211 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.729 1.511 3.102 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.343 1.533 4.811 1.00 0.00 H new ATOM 1020 N PHE A 69 9.613 0.235 4.601 1.00 0.00 N ATOM 1021 CA PHE A 69 8.527 0.316 5.562 1.00 0.00 C ATOM 1022 C PHE A 69 7.439 -0.713 5.248 1.00 0.00 C ATOM 1023 O PHE A 69 6.283 -0.536 5.627 1.00 0.00 O ATOM 1024 CB PHE A 69 7.931 1.721 5.447 1.00 0.00 C ATOM 1025 CG PHE A 69 8.850 2.830 5.961 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.955 3.182 5.250 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.562 3.466 7.128 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.809 4.212 5.727 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.416 4.496 7.606 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.521 4.847 6.895 1.00 0.00 C ATOM 0 H PHE A 69 9.391 0.601 3.675 1.00 0.00 H new ATOM 0 HA PHE A 69 8.903 0.114 6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.690 1.918 4.402 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.994 1.754 6.002 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.183 2.678 4.322 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.684 3.188 7.692 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.687 4.491 5.163 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.188 5.000 8.534 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.170 5.630 7.258 1.00 0.00 H new ATOM 1040 N ALA A 70 7.849 -1.768 4.558 1.00 0.00 N ATOM 1041 CA ALA A 70 6.924 -2.826 4.189 1.00 0.00 C ATOM 1042 C ALA A 70 7.709 -4.109 3.908 1.00 0.00 C ATOM 1043 O ALA A 70 8.935 -4.081 3.810 1.00 0.00 O ATOM 1044 CB ALA A 70 6.089 -2.378 2.988 1.00 0.00 C ATOM 0 H ALA A 70 8.809 -1.912 4.245 1.00 0.00 H new ATOM 0 HA ALA A 70 6.234 -3.035 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.395 -3.172 2.711 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.528 -1.480 3.249 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.748 -2.162 2.147 1.00 0.00 H new ATOM 1050 N ARG A 71 6.971 -5.202 3.785 1.00 0.00 N ATOM 1051 CA ARG A 71 7.582 -6.492 3.517 1.00 0.00 C ATOM 1052 C ARG A 71 6.781 -7.249 2.456 1.00 0.00 C ATOM 1053 O ARG A 71 5.654 -7.672 2.708 1.00 0.00 O ATOM 1054 CB ARG A 71 7.660 -7.340 4.789 1.00 0.00 C ATOM 1055 CG ARG A 71 9.054 -7.263 5.415 1.00 0.00 C ATOM 1056 CD ARG A 71 9.445 -8.599 6.049 1.00 0.00 C ATOM 1057 NE ARG A 71 10.287 -9.377 5.113 1.00 0.00 N ATOM 1058 CZ ARG A 71 10.581 -10.675 5.269 1.00 0.00 C ATOM 1059 NH1 ARG A 71 10.104 -11.348 6.324 1.00 0.00 N ATOM 1060 NH2 ARG A 71 11.353 -11.299 4.369 1.00 0.00 N ATOM 0 H ARG A 71 5.954 -5.221 3.866 1.00 0.00 H new ATOM 0 HA ARG A 71 8.593 -6.310 3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.916 -6.995 5.507 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.420 -8.377 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.784 -6.991 4.653 1.00 0.00 H new ATOM 0 HG3 ARG A 71 9.074 -6.478 6.171 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.986 -8.425 6.979 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.550 -9.166 6.303 1.00 0.00 H new ATOM 0 HE ARG A 71 10.667 -8.895 4.298 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.517 -10.873 7.009 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.328 -12.336 6.442 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.716 -10.786 3.566 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.577 -12.287 4.487 1.00 0.00 H new ATOM 1074 N PHE A 72 7.395 -7.397 1.291 1.00 0.00 N ATOM 1075 CA PHE A 72 6.753 -8.096 0.191 1.00 0.00 C ATOM 1076 C PHE A 72 6.268 -9.479 0.628 1.00 0.00 C ATOM 1077 O PHE A 72 7.070 -10.395 0.807 1.00 0.00 O ATOM 1078 CB PHE A 72 7.805 -8.262 -0.908 1.00 0.00 C ATOM 1079 CG PHE A 72 7.709 -7.220 -2.024 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.800 -7.377 -3.024 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.531 -6.137 -2.017 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.710 -6.410 -4.060 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.442 -5.170 -3.053 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.533 -5.327 -4.053 1.00 0.00 C ATOM 0 H PHE A 72 8.330 -7.045 1.085 1.00 0.00 H new ATOM 0 HA PHE A 72 5.888 -7.530 -0.155 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.797 -8.208 -0.459 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.706 -9.256 -1.344 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.147 -8.237 -3.030 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.252 -6.012 -1.223 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.988 -6.534 -4.854 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.096 -4.310 -3.047 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.465 -4.592 -4.841 1.00 0.00 H new