USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 419 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.0117 K(o=-0.012,f=-1.5) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.285 X(o=-0.29,f=-0.26) USER MOD Single : A 38 GLN : amide:sc= -0.0369 X(o=-0.037,f=-0.22) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0.24) USER MOD Single : A 47 GLN : amide:sc= -1 X(o=-1,f=-0.76) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.0319 USER MOD Single : A 62 THR OG1 : rot -29:sc= 0.0441 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.152 -7.180 -2.791 1.00 0.00 N ATOM 230 CA GLN A 19 0.769 -6.531 -1.549 1.00 0.00 C ATOM 231 C GLN A 19 1.896 -6.645 -0.521 1.00 0.00 C ATOM 232 O GLN A 19 2.502 -7.706 -0.374 1.00 0.00 O ATOM 233 CB GLN A 19 -0.534 -7.118 -1.002 1.00 0.00 C ATOM 234 CG GLN A 19 -1.702 -6.835 -1.949 1.00 0.00 C ATOM 235 CD GLN A 19 -2.654 -8.031 -2.018 1.00 0.00 C ATOM 236 OE1 GLN A 19 -2.796 -8.686 -3.037 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.296 -8.278 -0.879 1.00 0.00 N ATOM 0 HA GLN A 19 0.595 -5.474 -1.753 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.424 -8.194 -0.866 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.745 -6.693 -0.021 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.245 -5.953 -1.609 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.321 -6.611 -2.945 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.130 -7.690 -0.062 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -3.954 -9.056 -0.823 1.00 0.00 H new ATOM 246 N VAL A 20 2.142 -5.539 0.166 1.00 0.00 N ATOM 247 CA VAL A 20 3.186 -5.502 1.176 1.00 0.00 C ATOM 248 C VAL A 20 2.581 -5.066 2.512 1.00 0.00 C ATOM 249 O VAL A 20 1.727 -4.182 2.551 1.00 0.00 O ATOM 250 CB VAL A 20 4.330 -4.598 0.714 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.896 -5.071 -0.626 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.877 -3.139 0.633 1.00 0.00 C ATOM 0 H VAL A 20 1.636 -4.662 0.043 1.00 0.00 H new ATOM 0 HA VAL A 20 3.613 -6.494 1.321 1.00 0.00 H new ATOM 0 HB VAL A 20 5.127 -4.661 1.455 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.708 -4.411 -0.931 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.275 -6.088 -0.522 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.109 -5.052 -1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.709 -2.517 0.302 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.055 -3.052 -0.077 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.544 -2.806 1.616 1.00 0.00 H new ATOM 262 N GLU A 21 3.048 -5.706 3.574 1.00 0.00 N ATOM 263 CA GLU A 21 2.564 -5.395 4.908 1.00 0.00 C ATOM 264 C GLU A 21 3.492 -4.387 5.588 1.00 0.00 C ATOM 265 O GLU A 21 4.673 -4.665 5.792 1.00 0.00 O ATOM 266 CB GLU A 21 2.422 -6.665 5.750 1.00 0.00 C ATOM 267 CG GLU A 21 1.922 -6.337 7.158 1.00 0.00 C ATOM 268 CD GLU A 21 1.609 -7.614 7.940 1.00 0.00 C ATOM 269 OE1 GLU A 21 0.941 -8.491 7.351 1.00 0.00 O ATOM 270 OE2 GLU A 21 2.045 -7.683 9.110 1.00 0.00 O ATOM 0 H GLU A 21 3.757 -6.439 3.538 1.00 0.00 H new ATOM 0 HA GLU A 21 1.575 -4.946 4.819 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.728 -7.351 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.384 -7.174 5.811 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.676 -5.756 7.689 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.028 -5.717 7.095 1.00 0.00 H new ATOM 277 N ILE A 22 2.923 -3.238 5.921 1.00 0.00 N ATOM 278 CA ILE A 22 3.685 -2.187 6.574 1.00 0.00 C ATOM 279 C ILE A 22 4.117 -2.663 7.962 1.00 0.00 C ATOM 280 O ILE A 22 3.276 -2.954 8.812 1.00 0.00 O ATOM 281 CB ILE A 22 2.890 -0.880 6.592 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.411 -0.510 5.186 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.700 0.246 7.236 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.593 -0.165 4.278 1.00 0.00 C ATOM 0 H ILE A 22 1.943 -3.012 5.751 1.00 0.00 H new ATOM 0 HA ILE A 22 4.594 -1.972 6.013 1.00 0.00 H new ATOM 0 HB ILE A 22 2.002 -1.029 7.206 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.850 -1.341 4.759 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.730 0.339 5.242 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.112 1.164 7.236 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.949 -0.025 8.262 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.618 0.404 6.670 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.226 0.094 3.285 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.138 0.682 4.696 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.259 -1.025 4.205 1.00 0.00 H new ATOM 296 N THR A 23 5.427 -2.729 8.150 1.00 0.00 N ATOM 297 CA THR A 23 5.980 -3.165 9.421 1.00 0.00 C ATOM 298 C THR A 23 5.830 -2.064 10.473 1.00 0.00 C ATOM 299 O THR A 23 5.688 -2.351 11.661 1.00 0.00 O ATOM 300 CB THR A 23 7.431 -3.587 9.185 1.00 0.00 C ATOM 301 OG1 THR A 23 8.137 -2.354 9.069 1.00 0.00 O ATOM 302 CG2 THR A 23 7.632 -4.261 7.826 1.00 0.00 C ATOM 0 H THR A 23 6.122 -2.488 7.443 1.00 0.00 H new ATOM 0 HA THR A 23 5.437 -4.024 9.815 1.00 0.00 H new ATOM 0 HB THR A 23 7.744 -4.267 9.977 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.088 -2.535 8.916 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.679 -4.540 7.710 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.009 -5.154 7.767 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.351 -3.570 7.032 1.00 0.00 H new ATOM 310 N LYS A 24 5.867 -0.828 10.000 1.00 0.00 N ATOM 311 CA LYS A 24 5.738 0.317 10.885 1.00 0.00 C ATOM 312 C LYS A 24 5.054 1.462 10.134 1.00 0.00 C ATOM 313 O LYS A 24 5.247 1.622 8.930 1.00 0.00 O ATOM 314 CB LYS A 24 7.098 0.694 11.476 1.00 0.00 C ATOM 315 CG LYS A 24 8.086 1.081 10.373 1.00 0.00 C ATOM 316 CD LYS A 24 9.492 0.570 10.695 1.00 0.00 C ATOM 317 CE LYS A 24 10.374 0.570 9.444 1.00 0.00 C ATOM 318 NZ LYS A 24 11.794 0.771 9.811 1.00 0.00 N ATOM 0 H LYS A 24 5.985 -0.594 9.014 1.00 0.00 H new ATOM 0 HA LYS A 24 5.104 0.071 11.737 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.979 1.525 12.171 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.495 -0.145 12.048 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.754 0.668 9.421 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.106 2.165 10.261 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.944 1.197 11.463 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.432 -0.439 11.102 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.260 -0.374 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.052 1.360 8.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.379 0.768 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.901 1.683 10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.102 0.003 10.441 1.00 0.00 H new ATOM 332 N ALA A 25 4.270 2.229 10.877 1.00 0.00 N ATOM 333 CA ALA A 25 3.557 3.354 10.297 1.00 0.00 C ATOM 334 C ALA A 25 4.509 4.148 9.400 1.00 0.00 C ATOM 335 O ALA A 25 5.724 4.106 9.588 1.00 0.00 O ATOM 336 CB ALA A 25 2.959 4.211 11.415 1.00 0.00 C ATOM 0 H ALA A 25 4.113 2.093 11.876 1.00 0.00 H new ATOM 0 HA ALA A 25 2.732 3.006 9.676 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.424 5.055 10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.268 3.609 12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.758 4.580 12.057 1.00 0.00 H new ATOM 342 N PHE A 26 3.921 4.853 8.445 1.00 0.00 N ATOM 343 CA PHE A 26 4.702 5.655 7.518 1.00 0.00 C ATOM 344 C PHE A 26 4.039 7.013 7.276 1.00 0.00 C ATOM 345 O PHE A 26 3.311 7.187 6.300 1.00 0.00 O ATOM 346 CB PHE A 26 4.758 4.885 6.197 1.00 0.00 C ATOM 347 CG PHE A 26 5.027 5.765 4.975 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.190 6.464 4.883 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.103 5.849 3.981 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.439 7.281 3.748 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.352 6.666 2.846 1.00 0.00 C ATOM 352 CZ PHE A 26 5.515 7.365 2.754 1.00 0.00 C ATOM 0 H PHE A 26 2.913 4.886 8.293 1.00 0.00 H new ATOM 0 HA PHE A 26 5.697 5.834 7.927 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.537 4.126 6.264 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.813 4.361 6.054 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.924 6.398 5.673 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.179 5.294 4.054 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.363 7.836 3.675 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.618 6.732 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.705 7.987 1.892 1.00 0.00 H new ATOM 362 N PHE A 27 4.316 7.941 8.180 1.00 0.00 N ATOM 363 CA PHE A 27 3.756 9.277 8.077 1.00 0.00 C ATOM 364 C PHE A 27 4.178 9.949 6.768 1.00 0.00 C ATOM 365 O PHE A 27 5.323 10.376 6.626 1.00 0.00 O ATOM 366 CB PHE A 27 4.309 10.086 9.252 1.00 0.00 C ATOM 367 CG PHE A 27 3.845 9.589 10.623 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.643 9.987 11.119 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.634 8.749 11.345 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.212 9.525 12.391 1.00 0.00 C ATOM 371 CE2 PHE A 27 4.203 8.288 12.617 1.00 0.00 C ATOM 372 CZ PHE A 27 3.001 8.686 13.113 1.00 0.00 C ATOM 0 H PHE A 27 4.921 7.794 8.988 1.00 0.00 H new ATOM 0 HA PHE A 27 2.667 9.226 8.094 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.398 10.060 9.217 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.011 11.128 9.135 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.016 10.654 10.546 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.588 8.433 10.951 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.257 9.840 12.785 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.830 7.621 13.191 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.673 8.335 14.081 1.00 0.00 H new ATOM 382 N ALA A 28 3.230 10.021 5.845 1.00 0.00 N ATOM 383 CA ALA A 28 3.489 10.633 4.553 1.00 0.00 C ATOM 384 C ALA A 28 4.325 11.899 4.751 1.00 0.00 C ATOM 385 O ALA A 28 4.129 12.631 5.720 1.00 0.00 O ATOM 386 CB ALA A 28 2.161 10.915 3.847 1.00 0.00 C ATOM 0 H ALA A 28 2.282 9.666 5.966 1.00 0.00 H new ATOM 0 HA ALA A 28 4.060 9.958 3.916 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.355 11.374 2.878 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.619 9.980 3.704 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.562 11.592 4.456 1.00 0.00 H new ATOM 392 N LYS A 29 5.239 12.118 3.818 1.00 0.00 N ATOM 393 CA LYS A 29 6.106 13.282 3.878 1.00 0.00 C ATOM 394 C LYS A 29 5.752 14.236 2.735 1.00 0.00 C ATOM 395 O LYS A 29 5.852 15.453 2.883 1.00 0.00 O ATOM 396 CB LYS A 29 7.576 12.857 3.890 1.00 0.00 C ATOM 397 CG LYS A 29 7.880 11.971 5.100 1.00 0.00 C ATOM 398 CD LYS A 29 7.981 12.805 6.379 1.00 0.00 C ATOM 399 CE LYS A 29 8.650 12.009 7.501 1.00 0.00 C ATOM 400 NZ LYS A 29 9.424 12.909 8.386 1.00 0.00 N ATOM 0 H LYS A 29 5.398 11.509 3.016 1.00 0.00 H new ATOM 0 HA LYS A 29 5.948 13.826 4.809 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.810 12.318 2.972 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.214 13.741 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.097 11.221 5.212 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.815 11.434 4.937 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.552 13.712 6.182 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.985 13.117 6.694 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.893 11.481 8.081 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.310 11.253 7.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 9.871 12.352 9.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.159 13.393 7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.786 13.615 8.807 1.00 0.00 H new ATOM 414 N GLN A 30 5.344 13.647 1.621 1.00 0.00 N ATOM 415 CA GLN A 30 4.974 14.429 0.453 1.00 0.00 C ATOM 416 C GLN A 30 3.464 14.354 0.221 1.00 0.00 C ATOM 417 O GLN A 30 2.742 13.734 1.000 1.00 0.00 O ATOM 418 CB GLN A 30 5.743 13.963 -0.785 1.00 0.00 C ATOM 419 CG GLN A 30 7.160 13.519 -0.415 1.00 0.00 C ATOM 420 CD GLN A 30 8.051 14.725 -0.112 1.00 0.00 C ATOM 421 OE1 GLN A 30 7.687 15.869 -0.329 1.00 0.00 O ATOM 422 NE2 GLN A 30 9.237 14.406 0.399 1.00 0.00 N ATOM 0 H GLN A 30 5.261 12.637 1.502 1.00 0.00 H new ATOM 0 HA GLN A 30 5.242 15.469 0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.211 13.138 -1.258 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.790 14.772 -1.514 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.124 12.862 0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.589 12.942 -1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 30 9.478 13.427 0.556 1.00 0.00 H new ATOM 0 HE22 GLN A 30 9.905 15.140 0.634 1.00 0.00 H new ATOM 431 N ALA A 31 3.030 14.994 -0.855 1.00 0.00 N ATOM 432 CA ALA A 31 1.619 15.007 -1.200 1.00 0.00 C ATOM 433 C ALA A 31 1.272 13.727 -1.962 1.00 0.00 C ATOM 434 O ALA A 31 0.102 13.455 -2.227 1.00 0.00 O ATOM 435 CB ALA A 31 1.302 16.269 -2.006 1.00 0.00 C ATOM 0 H ALA A 31 3.631 15.507 -1.499 1.00 0.00 H new ATOM 0 HA ALA A 31 1.005 15.031 -0.300 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.243 16.279 -2.265 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.538 17.150 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.899 16.278 -2.918 1.00 0.00 H new ATOM 441 N ASP A 32 2.311 12.974 -2.294 1.00 0.00 N ATOM 442 CA ASP A 32 2.131 11.729 -3.021 1.00 0.00 C ATOM 443 C ASP A 32 2.251 10.554 -2.048 1.00 0.00 C ATOM 444 O ASP A 32 1.902 9.424 -2.387 1.00 0.00 O ATOM 445 CB ASP A 32 3.203 11.561 -4.100 1.00 0.00 C ATOM 446 CG ASP A 32 2.666 11.334 -5.514 1.00 0.00 C ATOM 447 OD1 ASP A 32 1.428 11.223 -5.641 1.00 0.00 O ATOM 448 OD2 ASP A 32 3.507 11.275 -6.437 1.00 0.00 O ATOM 0 H ASP A 32 3.280 13.202 -2.073 1.00 0.00 H new ATOM 0 HA ASP A 32 1.148 11.752 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.834 12.450 -4.105 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.840 10.719 -3.830 1.00 0.00 H new ATOM 453 N GLU A 33 2.746 10.861 -0.858 1.00 0.00 N ATOM 454 CA GLU A 33 2.916 9.844 0.166 1.00 0.00 C ATOM 455 C GLU A 33 1.615 9.656 0.949 1.00 0.00 C ATOM 456 O GLU A 33 0.825 10.590 1.082 1.00 0.00 O ATOM 457 CB GLU A 33 4.072 10.198 1.103 1.00 0.00 C ATOM 458 CG GLU A 33 5.418 10.077 0.384 1.00 0.00 C ATOM 459 CD GLU A 33 6.579 10.317 1.351 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.337 10.196 2.571 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.684 10.614 0.847 1.00 0.00 O ATOM 0 H GLU A 33 3.035 11.799 -0.580 1.00 0.00 H new ATOM 0 HA GLU A 33 3.163 8.902 -0.323 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.945 11.214 1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.058 9.537 1.970 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.509 9.086 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.465 10.798 -0.432 1.00 0.00 H new ATOM 468 N VAL A 34 1.431 8.441 1.446 1.00 0.00 N ATOM 469 CA VAL A 34 0.239 8.119 2.212 1.00 0.00 C ATOM 470 C VAL A 34 0.649 7.604 3.593 1.00 0.00 C ATOM 471 O VAL A 34 1.684 6.956 3.736 1.00 0.00 O ATOM 472 CB VAL A 34 -0.627 7.124 1.436 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.228 6.010 0.828 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.728 6.545 2.327 1.00 0.00 C ATOM 0 H VAL A 34 2.087 7.668 1.333 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.370 9.010 2.365 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.106 7.663 0.618 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.412 5.317 0.282 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.959 6.444 0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.747 5.475 1.623 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.329 5.841 1.752 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.277 6.029 3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.364 7.352 2.691 1.00 0.00 H new ATOM 484 N THR A 35 -0.184 7.913 4.575 1.00 0.00 N ATOM 485 CA THR A 35 0.078 7.491 5.941 1.00 0.00 C ATOM 486 C THR A 35 -0.364 6.040 6.144 1.00 0.00 C ATOM 487 O THR A 35 -1.488 5.676 5.803 1.00 0.00 O ATOM 488 CB THR A 35 -0.617 8.475 6.883 1.00 0.00 C ATOM 489 OG1 THR A 35 -0.050 9.738 6.544 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.217 8.268 8.345 1.00 0.00 C ATOM 0 H THR A 35 -1.042 8.451 4.452 1.00 0.00 H new ATOM 0 HA THR A 35 1.145 7.508 6.162 1.00 0.00 H new ATOM 0 HB THR A 35 -1.698 8.371 6.784 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.446 10.436 7.107 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.739 8.992 8.971 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.486 7.259 8.656 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.859 8.406 8.451 1.00 0.00 H new ATOM 498 N LEU A 36 0.544 5.251 6.699 1.00 0.00 N ATOM 499 CA LEU A 36 0.262 3.848 6.952 1.00 0.00 C ATOM 500 C LEU A 36 0.501 3.543 8.432 1.00 0.00 C ATOM 501 O LEU A 36 1.123 4.334 9.140 1.00 0.00 O ATOM 502 CB LEU A 36 1.068 2.959 6.003 1.00 0.00 C ATOM 503 CG LEU A 36 1.188 3.454 4.560 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.424 2.865 3.879 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.093 3.165 3.774 1.00 0.00 C ATOM 0 H LEU A 36 1.476 5.556 6.981 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.785 3.627 6.745 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.072 2.843 6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.613 1.969 5.990 1.00 0.00 H new ATOM 0 HG LEU A 36 1.317 4.536 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.485 3.233 2.855 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.318 3.164 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.351 1.777 3.870 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.018 3.527 2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.277 2.091 3.761 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.933 3.672 4.249 1.00 0.00 H new ATOM 517 N GLN A 37 -0.005 2.394 8.856 1.00 0.00 N ATOM 518 CA GLN A 37 0.146 1.975 10.239 1.00 0.00 C ATOM 519 C GLN A 37 0.921 0.658 10.313 1.00 0.00 C ATOM 520 O GLN A 37 1.271 0.081 9.285 1.00 0.00 O ATOM 521 CB GLN A 37 -1.215 1.849 10.926 1.00 0.00 C ATOM 522 CG GLN A 37 -1.868 3.222 11.105 1.00 0.00 C ATOM 523 CD GLN A 37 -1.073 4.083 12.088 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.864 3.728 13.236 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.643 5.233 11.575 1.00 0.00 N ATOM 0 H GLN A 37 -0.520 1.740 8.266 1.00 0.00 H new ATOM 0 HA GLN A 37 0.714 2.739 10.769 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.867 1.207 10.334 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.093 1.371 11.898 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.930 3.727 10.141 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.889 3.099 11.467 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.853 5.469 10.605 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.103 5.878 12.152 1.00 0.00 H new ATOM 534 N GLN A 38 1.166 0.221 11.539 1.00 0.00 N ATOM 535 CA GLN A 38 1.894 -1.018 11.761 1.00 0.00 C ATOM 536 C GLN A 38 1.019 -2.219 11.395 1.00 0.00 C ATOM 537 O GLN A 38 -0.108 -2.339 11.872 1.00 0.00 O ATOM 538 CB GLN A 38 2.383 -1.115 13.207 1.00 0.00 C ATOM 539 CG GLN A 38 3.099 -2.445 13.455 1.00 0.00 C ATOM 540 CD GLN A 38 2.909 -2.907 14.902 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.808 -2.964 15.424 1.00 0.00 O ATOM 542 NE2 GLN A 38 4.042 -3.234 15.517 1.00 0.00 N ATOM 0 H GLN A 38 0.874 0.702 12.390 1.00 0.00 H new ATOM 0 HA GLN A 38 2.772 -1.023 11.115 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.059 -0.288 13.422 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.537 -1.021 13.888 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.713 -3.203 12.774 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.162 -2.336 13.241 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.930 -3.163 15.021 1.00 0.00 H new ATOM 0 HE22 GLN A 38 4.022 -3.556 16.485 1.00 0.00 H new ATOM 551 N ALA A 39 1.573 -3.078 10.552 1.00 0.00 N ATOM 552 CA ALA A 39 0.858 -4.266 10.117 1.00 0.00 C ATOM 553 C ALA A 39 -0.293 -3.855 9.197 1.00 0.00 C ATOM 554 O ALA A 39 -1.414 -4.339 9.344 1.00 0.00 O ATOM 555 CB ALA A 39 0.375 -5.048 11.341 1.00 0.00 C ATOM 0 H ALA A 39 2.508 -2.975 10.159 1.00 0.00 H new ATOM 0 HA ALA A 39 1.516 -4.923 9.549 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.161 -5.939 11.015 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.232 -5.342 11.947 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.290 -4.421 11.934 1.00 0.00 H new ATOM 561 N ASP A 40 0.024 -2.966 8.267 1.00 0.00 N ATOM 562 CA ASP A 40 -0.969 -2.484 7.323 1.00 0.00 C ATOM 563 C ASP A 40 -0.645 -3.023 5.928 1.00 0.00 C ATOM 564 O ASP A 40 0.488 -2.911 5.463 1.00 0.00 O ATOM 565 CB ASP A 40 -0.965 -0.955 7.251 1.00 0.00 C ATOM 566 CG ASP A 40 -1.698 -0.252 8.395 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.701 -0.826 9.505 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.240 0.844 8.133 1.00 0.00 O ATOM 0 H ASP A 40 0.955 -2.567 8.147 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.947 -2.827 7.659 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.069 -0.610 7.235 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.417 -0.649 6.308 1.00 0.00 H new ATOM 573 N VAL A 41 -1.660 -3.598 5.300 1.00 0.00 N ATOM 574 CA VAL A 41 -1.497 -4.155 3.968 1.00 0.00 C ATOM 575 C VAL A 41 -1.907 -3.109 2.929 1.00 0.00 C ATOM 576 O VAL A 41 -2.993 -2.538 3.012 1.00 0.00 O ATOM 577 CB VAL A 41 -2.288 -5.460 3.846 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.208 -6.019 2.424 1.00 0.00 C ATOM 579 CG2 VAL A 41 -1.805 -6.490 4.869 1.00 0.00 C ATOM 0 H VAL A 41 -2.598 -3.690 5.689 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.452 -4.405 3.784 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.334 -5.240 4.060 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.778 -6.946 2.365 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.622 -5.293 1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.167 -6.217 2.169 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.383 -7.408 4.762 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -0.750 -6.704 4.700 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -1.938 -6.093 5.875 1.00 0.00 H new ATOM 589 N VAL A 42 -1.015 -2.891 1.973 1.00 0.00 N ATOM 590 CA VAL A 42 -1.270 -1.924 0.919 1.00 0.00 C ATOM 591 C VAL A 42 -1.169 -2.620 -0.440 1.00 0.00 C ATOM 592 O VAL A 42 -0.275 -3.435 -0.660 1.00 0.00 O ATOM 593 CB VAL A 42 -0.314 -0.737 1.055 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.257 0.072 -0.242 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.705 0.150 2.238 1.00 0.00 C ATOM 0 H VAL A 42 -0.116 -3.367 1.907 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.280 -1.522 1.005 1.00 0.00 H new ATOM 0 HB VAL A 42 0.684 -1.131 1.248 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.429 0.910 -0.118 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.092 -0.566 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.252 0.450 -0.479 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.009 0.986 2.312 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.715 0.531 2.089 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.670 -0.434 3.158 1.00 0.00 H new ATOM 605 N LEU A 43 -2.100 -2.272 -1.317 1.00 0.00 N ATOM 606 CA LEU A 43 -2.127 -2.853 -2.649 1.00 0.00 C ATOM 607 C LEU A 43 -1.216 -2.042 -3.573 1.00 0.00 C ATOM 608 O LEU A 43 -1.535 -0.907 -3.925 1.00 0.00 O ATOM 609 CB LEU A 43 -3.567 -2.970 -3.153 1.00 0.00 C ATOM 610 CG LEU A 43 -3.762 -3.757 -4.450 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.908 -5.253 -4.167 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.943 -3.207 -5.253 1.00 0.00 C ATOM 0 H LEU A 43 -2.841 -1.596 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.737 -3.871 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.167 -3.439 -2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.963 -1.965 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.870 -3.631 -5.063 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -4.045 -5.789 -5.106 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -3.010 -5.618 -3.669 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.773 -5.419 -3.524 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.060 -3.784 -6.170 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.854 -3.282 -4.659 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.758 -2.162 -5.503 1.00 0.00 H new ATOM 624 N VAL A 44 -0.102 -2.656 -3.940 1.00 0.00 N ATOM 625 CA VAL A 44 0.857 -2.006 -4.817 1.00 0.00 C ATOM 626 C VAL A 44 0.187 -1.692 -6.156 1.00 0.00 C ATOM 627 O VAL A 44 -0.595 -2.493 -6.666 1.00 0.00 O ATOM 628 CB VAL A 44 2.107 -2.877 -4.964 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.091 -2.261 -5.960 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.774 -3.111 -3.607 1.00 0.00 C ATOM 0 H VAL A 44 0.159 -3.597 -3.646 1.00 0.00 H new ATOM 0 HA VAL A 44 1.185 -1.059 -4.388 1.00 0.00 H new ATOM 0 HB VAL A 44 1.796 -3.845 -5.356 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.970 -2.900 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.612 -2.170 -6.935 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.393 -1.274 -5.610 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.660 -3.733 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.064 -2.154 -3.174 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.074 -3.614 -2.939 1.00 0.00 H new ATOM 640 N LEU A 45 0.517 -0.524 -6.688 1.00 0.00 N ATOM 641 CA LEU A 45 -0.043 -0.095 -7.957 1.00 0.00 C ATOM 642 C LEU A 45 1.091 0.144 -8.956 1.00 0.00 C ATOM 643 O LEU A 45 0.983 -0.225 -10.124 1.00 0.00 O ATOM 644 CB LEU A 45 -0.953 1.119 -7.758 1.00 0.00 C ATOM 645 CG LEU A 45 -2.316 0.838 -7.123 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.863 2.085 -6.425 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.298 0.283 -8.156 1.00 0.00 C ATOM 0 H LEU A 45 1.166 0.138 -6.262 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.678 -0.876 -8.376 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.427 1.844 -7.137 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.116 1.589 -8.728 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.185 0.072 -6.359 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.833 1.858 -5.982 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.171 2.397 -5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.976 2.889 -7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.259 0.092 -7.678 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.430 1.008 -8.959 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.906 -0.647 -8.568 1.00 0.00 H new ATOM 659 N GLN A 46 2.154 0.760 -8.459 1.00 0.00 N ATOM 660 CA GLN A 46 3.307 1.053 -9.293 1.00 0.00 C ATOM 661 C GLN A 46 4.600 0.862 -8.497 1.00 0.00 C ATOM 662 O GLN A 46 4.793 1.492 -7.459 1.00 0.00 O ATOM 663 CB GLN A 46 3.222 2.467 -9.870 1.00 0.00 C ATOM 664 CG GLN A 46 2.661 2.446 -11.293 1.00 0.00 C ATOM 665 CD GLN A 46 1.310 3.162 -11.360 1.00 0.00 C ATOM 666 OE1 GLN A 46 0.256 2.572 -11.188 1.00 0.00 O ATOM 667 NE2 GLN A 46 1.400 4.464 -11.618 1.00 0.00 N ATOM 0 H GLN A 46 2.241 1.064 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 46 3.312 0.355 -10.130 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.588 3.085 -9.235 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.212 2.923 -9.872 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.365 2.926 -11.973 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.547 1.415 -11.628 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.315 4.895 -11.752 1.00 0.00 H new ATOM 0 HE22 GLN A 46 0.554 5.031 -11.682 1.00 0.00 H new ATOM 676 N GLN A 47 5.452 -0.011 -9.015 1.00 0.00 N ATOM 677 CA GLN A 47 6.721 -0.293 -8.365 1.00 0.00 C ATOM 678 C GLN A 47 7.849 0.487 -9.044 1.00 0.00 C ATOM 679 O GLN A 47 8.250 0.160 -10.160 1.00 0.00 O ATOM 680 CB GLN A 47 7.015 -1.794 -8.365 1.00 0.00 C ATOM 681 CG GLN A 47 6.473 -2.459 -7.098 1.00 0.00 C ATOM 682 CD GLN A 47 7.038 -3.872 -6.935 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.323 -4.860 -6.954 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.357 -3.912 -6.775 1.00 0.00 N ATOM 0 H GLN A 47 5.289 -0.532 -9.877 1.00 0.00 H new ATOM 0 HA GLN A 47 6.655 0.031 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.565 -2.256 -9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.090 -1.958 -8.434 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.733 -1.857 -6.227 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.385 -2.502 -7.143 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.896 -3.046 -6.769 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.830 -4.808 -6.659 1.00 0.00 H new ATOM 693 N GLU A 48 8.330 1.502 -8.341 1.00 0.00 N ATOM 694 CA GLU A 48 9.404 2.331 -8.862 1.00 0.00 C ATOM 695 C GLU A 48 10.650 2.198 -7.984 1.00 0.00 C ATOM 696 O GLU A 48 10.627 2.561 -6.809 1.00 0.00 O ATOM 697 CB GLU A 48 8.964 3.792 -8.972 1.00 0.00 C ATOM 698 CG GLU A 48 9.576 4.457 -10.207 1.00 0.00 C ATOM 699 CD GLU A 48 9.875 5.934 -9.944 1.00 0.00 C ATOM 700 OE1 GLU A 48 10.665 6.195 -9.011 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.306 6.768 -10.681 1.00 0.00 O ATOM 0 H GLU A 48 7.996 1.769 -7.415 1.00 0.00 H new ATOM 0 HA GLU A 48 9.651 1.984 -9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.877 3.845 -9.027 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.265 4.335 -8.076 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.495 3.940 -10.485 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.891 4.366 -11.050 1.00 0.00 H new ATOM 708 N ASP A 49 11.707 1.676 -8.588 1.00 0.00 N ATOM 709 CA ASP A 49 12.960 1.490 -7.876 1.00 0.00 C ATOM 710 C ASP A 49 13.202 2.690 -6.958 1.00 0.00 C ATOM 711 O ASP A 49 13.597 3.760 -7.419 1.00 0.00 O ATOM 712 CB ASP A 49 14.137 1.394 -8.848 1.00 0.00 C ATOM 713 CG ASP A 49 15.217 0.382 -8.459 1.00 0.00 C ATOM 714 OD1 ASP A 49 16.085 0.764 -7.645 1.00 0.00 O ATOM 715 OD2 ASP A 49 15.149 -0.751 -8.983 1.00 0.00 O ATOM 0 H ASP A 49 11.722 1.376 -9.563 1.00 0.00 H new ATOM 0 HA ASP A 49 12.889 0.565 -7.304 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.754 1.132 -9.834 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.597 2.378 -8.936 1.00 0.00 H new ATOM 720 N GLY A 50 12.956 2.472 -5.674 1.00 0.00 N ATOM 721 CA GLY A 50 13.142 3.522 -4.688 1.00 0.00 C ATOM 722 C GLY A 50 11.882 3.708 -3.840 1.00 0.00 C ATOM 723 O GLY A 50 11.964 3.850 -2.621 1.00 0.00 O ATOM 0 H GLY A 50 12.629 1.583 -5.294 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.985 3.275 -4.043 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.388 4.458 -5.190 1.00 0.00 H new ATOM 727 N TRP A 51 10.744 3.702 -4.520 1.00 0.00 N ATOM 728 CA TRP A 51 9.468 3.868 -3.845 1.00 0.00 C ATOM 729 C TRP A 51 8.462 2.916 -4.494 1.00 0.00 C ATOM 730 O TRP A 51 8.524 2.668 -5.697 1.00 0.00 O ATOM 731 CB TRP A 51 9.016 5.329 -3.879 1.00 0.00 C ATOM 732 CG TRP A 51 9.811 6.249 -2.950 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.047 6.735 -3.129 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.372 6.776 -1.680 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.435 7.534 -2.073 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.384 7.559 -1.163 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.159 6.597 -0.991 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.287 8.226 0.064 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.078 7.269 0.234 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.088 8.062 0.768 1.00 0.00 C ATOM 0 H TRP A 51 10.680 3.585 -5.531 1.00 0.00 H new ATOM 0 HA TRP A 51 9.555 3.615 -2.788 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.100 5.701 -4.900 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.962 5.379 -3.607 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.662 6.527 -3.992 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.328 8.017 -1.978 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.354 5.989 -1.377 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.093 8.834 0.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.167 7.164 0.805 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.948 8.549 1.722 1.00 0.00 H new ATOM 751 N LEU A 52 7.559 2.407 -3.668 1.00 0.00 N ATOM 752 CA LEU A 52 6.541 1.487 -4.147 1.00 0.00 C ATOM 753 C LEU A 52 5.159 2.103 -3.924 1.00 0.00 C ATOM 754 O LEU A 52 4.735 2.291 -2.784 1.00 0.00 O ATOM 755 CB LEU A 52 6.714 0.112 -3.499 1.00 0.00 C ATOM 756 CG LEU A 52 8.156 -0.353 -3.288 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.872 -0.545 -4.627 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.913 0.605 -2.366 1.00 0.00 C ATOM 0 H LEU A 52 7.511 2.614 -2.670 1.00 0.00 H new ATOM 0 HA LEU A 52 6.648 1.324 -5.219 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.211 0.122 -2.532 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.202 -0.626 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 52 8.132 -1.324 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.895 -0.876 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.346 -1.296 -5.217 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.886 0.399 -5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.935 0.251 -2.233 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.929 1.600 -2.810 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.415 0.647 -1.397 1.00 0.00 H new ATOM 770 N TYR A 53 4.493 2.399 -5.030 1.00 0.00 N ATOM 771 CA TYR A 53 3.166 2.990 -4.970 1.00 0.00 C ATOM 772 C TYR A 53 2.090 1.909 -4.844 1.00 0.00 C ATOM 773 O TYR A 53 2.215 0.833 -5.426 1.00 0.00 O ATOM 774 CB TYR A 53 2.974 3.731 -6.294 1.00 0.00 C ATOM 775 CG TYR A 53 1.673 4.532 -6.376 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.407 5.515 -5.445 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.764 4.270 -7.382 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.182 6.268 -5.522 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.461 5.023 -7.459 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.692 5.985 -6.525 1.00 0.00 C ATOM 781 OH TYR A 53 -1.849 6.696 -6.598 1.00 0.00 O ATOM 0 H TYR A 53 4.847 2.241 -5.973 1.00 0.00 H new ATOM 0 HA TYR A 53 3.078 3.648 -4.106 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.815 4.407 -6.445 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.996 3.008 -7.110 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.118 5.720 -4.658 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.972 3.501 -8.111 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.038 7.040 -4.800 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.180 4.828 -8.241 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.375 6.387 -7.365 1.00 0.00 H new ATOM 791 N GLY A 54 1.058 2.234 -4.079 1.00 0.00 N ATOM 792 CA GLY A 54 -0.039 1.304 -3.869 1.00 0.00 C ATOM 793 C GLY A 54 -1.281 2.031 -3.349 1.00 0.00 C ATOM 794 O GLY A 54 -1.288 3.256 -3.241 1.00 0.00 O ATOM 0 H GLY A 54 0.958 3.128 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.275 0.797 -4.805 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.262 0.536 -3.157 1.00 0.00 H new ATOM 798 N GLU A 55 -2.302 1.244 -3.040 1.00 0.00 N ATOM 799 CA GLU A 55 -3.546 1.797 -2.535 1.00 0.00 C ATOM 800 C GLU A 55 -3.973 1.065 -1.260 1.00 0.00 C ATOM 801 O GLU A 55 -4.452 -0.066 -1.320 1.00 0.00 O ATOM 802 CB GLU A 55 -4.646 1.734 -3.597 1.00 0.00 C ATOM 803 CG GLU A 55 -6.016 2.036 -2.986 1.00 0.00 C ATOM 804 CD GLU A 55 -6.976 0.862 -3.185 1.00 0.00 C ATOM 805 OE1 GLU A 55 -6.797 -0.145 -2.467 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.867 0.997 -4.052 1.00 0.00 O ATOM 0 H GLU A 55 -2.292 0.228 -3.130 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.382 2.847 -2.291 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.432 2.450 -4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.658 0.745 -4.055 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.906 2.244 -1.922 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.433 2.933 -3.444 1.00 0.00 H new ATOM 813 N ARG A 56 -3.783 1.741 -0.137 1.00 0.00 N ATOM 814 CA ARG A 56 -4.142 1.170 1.150 1.00 0.00 C ATOM 815 C ARG A 56 -5.441 0.370 1.032 1.00 0.00 C ATOM 816 O ARG A 56 -6.329 0.732 0.262 1.00 0.00 O ATOM 817 CB ARG A 56 -4.319 2.262 2.208 1.00 0.00 C ATOM 818 CG ARG A 56 -4.481 1.653 3.602 1.00 0.00 C ATOM 819 CD ARG A 56 -3.539 2.321 4.605 1.00 0.00 C ATOM 820 NE ARG A 56 -4.028 3.680 4.931 1.00 0.00 N ATOM 821 CZ ARG A 56 -3.783 4.308 6.089 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.055 3.704 7.039 1.00 0.00 N ATOM 823 NH2 ARG A 56 -4.267 5.540 6.298 1.00 0.00 N ATOM 0 H ARG A 56 -3.385 2.679 -0.091 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.331 0.510 1.457 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.456 2.928 2.196 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.193 2.868 1.968 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -5.513 1.767 3.935 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -4.276 0.583 3.562 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.476 1.721 5.513 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.533 2.377 4.190 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.586 4.168 4.231 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.687 2.766 6.880 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.869 4.183 7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.822 5.999 5.576 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.081 6.018 7.179 1.00 0.00 H new ATOM 837 N LEU A 57 -5.511 -0.703 1.806 1.00 0.00 N ATOM 838 CA LEU A 57 -6.686 -1.557 1.798 1.00 0.00 C ATOM 839 C LEU A 57 -7.600 -1.171 2.962 1.00 0.00 C ATOM 840 O LEU A 57 -8.747 -1.611 3.028 1.00 0.00 O ATOM 841 CB LEU A 57 -6.277 -3.031 1.800 1.00 0.00 C ATOM 842 CG LEU A 57 -5.407 -3.488 0.627 1.00 0.00 C ATOM 843 CD1 LEU A 57 -4.568 -4.709 1.009 1.00 0.00 C ATOM 844 CD2 LEU A 57 -6.258 -3.744 -0.619 1.00 0.00 C ATOM 0 H LEU A 57 -4.772 -1.000 2.443 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.257 -1.410 0.881 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.741 -3.237 2.726 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.182 -3.638 1.814 1.00 0.00 H new ATOM 0 HG LEU A 57 -4.712 -2.684 0.383 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -3.959 -5.013 0.157 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.919 -4.457 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.227 -5.529 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.616 -4.068 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.992 -4.521 -0.405 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.773 -2.826 -0.903 1.00 0.00 H new ATOM 856 N ARG A 58 -7.058 -0.352 3.852 1.00 0.00 N ATOM 857 CA ARG A 58 -7.811 0.098 5.010 1.00 0.00 C ATOM 858 C ARG A 58 -9.015 0.933 4.569 1.00 0.00 C ATOM 859 O ARG A 58 -10.160 0.533 4.771 1.00 0.00 O ATOM 860 CB ARG A 58 -6.935 0.934 5.946 1.00 0.00 C ATOM 861 CG ARG A 58 -7.645 1.193 7.276 1.00 0.00 C ATOM 862 CD ARG A 58 -6.695 1.839 8.287 1.00 0.00 C ATOM 863 NE ARG A 58 -7.397 2.912 9.026 1.00 0.00 N ATOM 864 CZ ARG A 58 -8.357 2.695 9.935 1.00 0.00 C ATOM 865 NH1 ARG A 58 -8.735 1.443 10.224 1.00 0.00 N ATOM 866 NH2 ARG A 58 -8.938 3.731 10.556 1.00 0.00 N ATOM 0 H ARG A 58 -6.107 0.011 3.794 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.155 -0.787 5.546 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.993 0.416 6.127 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.690 1.883 5.469 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.505 1.843 7.113 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.026 0.254 7.678 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.326 1.087 8.984 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.826 2.249 7.772 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.133 3.878 8.831 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -8.292 0.655 9.752 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -9.466 1.278 10.916 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.649 4.684 10.336 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.669 3.566 11.248 1.00 0.00 H new ATOM 880 N ASP A 59 -8.714 2.078 3.974 1.00 0.00 N ATOM 881 CA ASP A 59 -9.757 2.973 3.503 1.00 0.00 C ATOM 882 C ASP A 59 -9.689 3.071 1.978 1.00 0.00 C ATOM 883 O ASP A 59 -10.697 3.328 1.322 1.00 0.00 O ATOM 884 CB ASP A 59 -9.576 4.380 4.076 1.00 0.00 C ATOM 885 CG ASP A 59 -10.856 5.035 4.599 1.00 0.00 C ATOM 886 OD1 ASP A 59 -11.841 5.053 3.829 1.00 0.00 O ATOM 887 OD2 ASP A 59 -10.821 5.503 5.758 1.00 0.00 O ATOM 0 H ASP A 59 -7.763 2.406 3.807 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.717 2.572 3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.851 4.335 4.889 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.149 5.019 3.303 1.00 0.00 H new ATOM 892 N GLY A 60 -8.489 2.860 1.457 1.00 0.00 N ATOM 893 CA GLY A 60 -8.275 2.921 0.021 1.00 0.00 C ATOM 894 C GLY A 60 -7.237 3.987 -0.334 1.00 0.00 C ATOM 895 O GLY A 60 -6.905 4.171 -1.505 1.00 0.00 O ATOM 0 H GLY A 60 -7.655 2.647 2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.942 1.949 -0.342 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.216 3.143 -0.481 1.00 0.00 H new ATOM 899 N GLU A 61 -6.752 4.662 0.698 1.00 0.00 N ATOM 900 CA GLU A 61 -5.758 5.705 0.509 1.00 0.00 C ATOM 901 C GLU A 61 -4.704 5.257 -0.505 1.00 0.00 C ATOM 902 O GLU A 61 -4.086 4.206 -0.340 1.00 0.00 O ATOM 903 CB GLU A 61 -5.109 6.091 1.840 1.00 0.00 C ATOM 904 CG GLU A 61 -5.721 7.378 2.396 1.00 0.00 C ATOM 905 CD GLU A 61 -7.233 7.412 2.162 1.00 0.00 C ATOM 906 OE1 GLU A 61 -7.952 6.848 3.015 1.00 0.00 O ATOM 907 OE2 GLU A 61 -7.636 8.000 1.135 1.00 0.00 O ATOM 0 H GLU A 61 -7.029 4.507 1.667 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.259 6.590 0.116 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.238 5.282 2.559 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.036 6.225 1.700 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.513 7.452 3.463 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.256 8.241 1.920 1.00 0.00 H new ATOM 914 N THR A 62 -4.531 6.076 -1.532 1.00 0.00 N ATOM 915 CA THR A 62 -3.562 5.777 -2.573 1.00 0.00 C ATOM 916 C THR A 62 -2.406 6.777 -2.529 1.00 0.00 C ATOM 917 O THR A 62 -2.580 7.948 -2.865 1.00 0.00 O ATOM 918 CB THR A 62 -4.299 5.758 -3.914 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.600 5.276 -3.588 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.742 4.706 -4.874 1.00 0.00 C ATOM 0 H THR A 62 -5.045 6.947 -1.666 1.00 0.00 H new ATOM 0 HA THR A 62 -3.108 4.798 -2.421 1.00 0.00 H new ATOM 0 HB THR A 62 -4.234 6.742 -4.377 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.544 4.684 -2.809 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.301 4.735 -5.810 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.691 4.915 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.837 3.717 -4.425 1.00 0.00 H new ATOM 928 N GLY A 63 -1.251 6.280 -2.112 1.00 0.00 N ATOM 929 CA GLY A 63 -0.066 7.116 -2.020 1.00 0.00 C ATOM 930 C GLY A 63 1.200 6.307 -2.309 1.00 0.00 C ATOM 931 O GLY A 63 1.122 5.133 -2.666 1.00 0.00 O ATOM 0 H GLY A 63 -1.110 5.309 -1.834 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.143 7.942 -2.727 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.002 7.554 -1.024 1.00 0.00 H new ATOM 935 N TRP A 64 2.337 6.968 -2.145 1.00 0.00 N ATOM 936 CA TRP A 64 3.617 6.325 -2.384 1.00 0.00 C ATOM 937 C TRP A 64 4.149 5.816 -1.042 1.00 0.00 C ATOM 938 O TRP A 64 4.199 6.564 -0.067 1.00 0.00 O ATOM 939 CB TRP A 64 4.586 7.277 -3.089 1.00 0.00 C ATOM 940 CG TRP A 64 4.311 7.450 -4.584 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.529 8.361 -5.179 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.852 6.649 -5.656 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.527 8.207 -6.550 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.357 7.133 -6.849 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.731 5.553 -5.618 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.683 6.582 -8.094 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.048 5.013 -6.870 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.557 5.488 -8.081 1.00 0.00 C ATOM 0 H TRP A 64 2.398 7.942 -1.849 1.00 0.00 H new ATOM 0 HA TRP A 64 3.502 5.476 -3.057 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.537 8.253 -2.606 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.603 6.907 -2.957 1.00 0.00 H new ATOM 0 HD1 TRP A 64 2.971 9.120 -4.652 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.011 8.777 -7.221 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.130 5.158 -4.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.282 6.979 -9.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.721 4.169 -6.897 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.848 5.015 -9.007 1.00 0.00 H new ATOM 959 N PHE A 65 4.533 4.548 -1.037 1.00 0.00 N ATOM 960 CA PHE A 65 5.059 3.931 0.169 1.00 0.00 C ATOM 961 C PHE A 65 6.367 3.193 -0.119 1.00 0.00 C ATOM 962 O PHE A 65 6.452 2.421 -1.073 1.00 0.00 O ATOM 963 CB PHE A 65 4.013 2.922 0.648 1.00 0.00 C ATOM 964 CG PHE A 65 4.073 1.573 -0.072 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.096 0.713 0.181 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.105 1.235 -0.964 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.152 -0.539 -0.487 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.161 -0.017 -1.632 1.00 0.00 C ATOM 969 CZ PHE A 65 4.184 -0.877 -1.379 1.00 0.00 C ATOM 0 H PHE A 65 4.490 3.931 -1.848 1.00 0.00 H new ATOM 0 HA PHE A 65 5.261 4.695 0.920 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.145 2.757 1.717 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.020 3.351 0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.865 0.982 0.890 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.293 1.918 -1.165 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.964 -1.222 -0.286 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.392 -0.286 -2.341 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.227 -1.829 -1.887 1.00 0.00 H new ATOM 979 N PRO A 66 7.382 3.462 0.746 1.00 0.00 N ATOM 980 CA PRO A 66 8.682 2.833 0.594 1.00 0.00 C ATOM 981 C PRO A 66 8.640 1.371 1.045 1.00 0.00 C ATOM 982 O PRO A 66 7.820 1.000 1.883 1.00 0.00 O ATOM 983 CB PRO A 66 9.631 3.683 1.423 1.00 0.00 C ATOM 984 CG PRO A 66 8.753 4.477 2.377 1.00 0.00 C ATOM 985 CD PRO A 66 7.318 4.371 1.887 1.00 0.00 C ATOM 0 HA PRO A 66 9.010 2.792 -0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.338 3.059 1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.217 4.347 0.788 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.840 4.086 3.391 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.069 5.520 2.409 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.661 3.983 2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.926 5.345 1.595 1.00 0.00 H new ATOM 993 N GLU A 67 9.534 0.581 0.469 1.00 0.00 N ATOM 994 CA GLU A 67 9.609 -0.831 0.801 1.00 0.00 C ATOM 995 C GLU A 67 10.199 -1.017 2.201 1.00 0.00 C ATOM 996 O GLU A 67 9.798 -1.919 2.933 1.00 0.00 O ATOM 997 CB GLU A 67 10.424 -1.598 -0.243 1.00 0.00 C ATOM 998 CG GLU A 67 11.695 -0.833 -0.617 1.00 0.00 C ATOM 999 CD GLU A 67 12.913 -1.759 -0.613 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.137 -2.398 0.438 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.593 -1.806 -1.661 1.00 0.00 O ATOM 0 H GLU A 67 10.213 0.892 -0.226 1.00 0.00 H new ATOM 0 HA GLU A 67 8.598 -1.239 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.688 -2.581 0.147 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.818 -1.761 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.577 -0.385 -1.604 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.852 -0.016 0.087 1.00 0.00 H new ATOM 1008 N ASP A 68 11.143 -0.147 2.530 1.00 0.00 N ATOM 1009 CA ASP A 68 11.793 -0.204 3.829 1.00 0.00 C ATOM 1010 C ASP A 68 10.728 -0.203 4.927 1.00 0.00 C ATOM 1011 O ASP A 68 10.989 -0.633 6.050 1.00 0.00 O ATOM 1012 CB ASP A 68 12.696 1.012 4.046 1.00 0.00 C ATOM 1013 CG ASP A 68 14.055 0.703 4.679 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.332 -0.501 4.868 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.785 1.678 4.960 1.00 0.00 O ATOM 0 H ASP A 68 11.473 0.601 1.920 1.00 0.00 H new ATOM 0 HA ASP A 68 12.395 -1.112 3.866 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.862 1.499 3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.171 1.727 4.679 1.00 0.00 H new ATOM 1020 N PHE A 69 9.550 0.284 4.565 1.00 0.00 N ATOM 1021 CA PHE A 69 8.445 0.346 5.506 1.00 0.00 C ATOM 1022 C PHE A 69 7.341 -0.642 5.121 1.00 0.00 C ATOM 1023 O PHE A 69 6.171 -0.424 5.433 1.00 0.00 O ATOM 1024 CB PHE A 69 7.884 1.768 5.444 1.00 0.00 C ATOM 1025 CG PHE A 69 8.841 2.838 5.974 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.941 3.184 5.253 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.592 3.443 7.166 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.829 4.177 5.744 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.480 4.436 7.658 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.580 4.782 6.936 1.00 0.00 C ATOM 0 H PHE A 69 9.337 0.639 3.633 1.00 0.00 H new ATOM 0 HA PHE A 69 8.793 0.089 6.506 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.630 2.003 4.410 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.958 1.808 6.017 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.139 2.703 4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.719 3.168 7.739 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.702 4.452 5.171 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.282 4.916 8.605 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.256 5.537 7.310 1.00 0.00 H new ATOM 1040 N ALA A 70 7.753 -1.707 4.449 1.00 0.00 N ATOM 1041 CA ALA A 70 6.814 -2.729 4.018 1.00 0.00 C ATOM 1042 C ALA A 70 7.571 -4.030 3.748 1.00 0.00 C ATOM 1043 O ALA A 70 8.778 -4.012 3.511 1.00 0.00 O ATOM 1044 CB ALA A 70 6.048 -2.234 2.790 1.00 0.00 C ATOM 0 H ALA A 70 8.724 -1.884 4.192 1.00 0.00 H new ATOM 0 HA ALA A 70 6.081 -2.931 4.799 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.344 -3.001 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.503 -1.324 3.043 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.750 -2.024 1.983 1.00 0.00 H new ATOM 1050 N ARG A 71 6.831 -5.128 3.791 1.00 0.00 N ATOM 1051 CA ARG A 71 7.418 -6.436 3.554 1.00 0.00 C ATOM 1052 C ARG A 71 6.623 -7.189 2.485 1.00 0.00 C ATOM 1053 O ARG A 71 5.489 -7.601 2.726 1.00 0.00 O ATOM 1054 CB ARG A 71 7.449 -7.268 4.838 1.00 0.00 C ATOM 1055 CG ARG A 71 8.797 -7.131 5.548 1.00 0.00 C ATOM 1056 CD ARG A 71 9.191 -8.441 6.232 1.00 0.00 C ATOM 1057 NE ARG A 71 10.028 -9.256 5.323 1.00 0.00 N ATOM 1058 CZ ARG A 71 10.595 -10.420 5.665 1.00 0.00 C ATOM 1059 NH1 ARG A 71 10.419 -10.915 6.898 1.00 0.00 N ATOM 1060 NH2 ARG A 71 11.338 -11.091 4.774 1.00 0.00 N ATOM 0 H ARG A 71 5.830 -5.139 3.986 1.00 0.00 H new ATOM 0 HA ARG A 71 8.441 -6.282 3.210 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.649 -6.945 5.504 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.264 -8.316 4.601 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.564 -6.847 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.743 -6.332 6.288 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.737 -8.231 7.152 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.297 -8.997 6.513 1.00 0.00 H new ATOM 0 HE ARG A 71 10.183 -8.909 4.376 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.853 -10.405 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.851 -11.802 7.158 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.472 -10.715 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.770 -11.978 5.035 1.00 0.00 H new ATOM 1074 N PHE A 72 7.248 -7.345 1.328 1.00 0.00 N ATOM 1075 CA PHE A 72 6.613 -8.041 0.222 1.00 0.00 C ATOM 1076 C PHE A 72 6.115 -9.421 0.656 1.00 0.00 C ATOM 1077 O PHE A 72 6.907 -10.349 0.814 1.00 0.00 O ATOM 1078 CB PHE A 72 7.674 -8.213 -0.867 1.00 0.00 C ATOM 1079 CG PHE A 72 7.650 -7.122 -1.939 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.702 -7.147 -2.914 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.576 -6.126 -1.916 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.679 -6.134 -3.908 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.553 -5.113 -2.911 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.605 -5.138 -3.886 1.00 0.00 C ATOM 0 H PHE A 72 8.188 -7.001 1.132 1.00 0.00 H new ATOM 0 HA PHE A 72 5.755 -7.470 -0.133 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.659 -8.228 -0.401 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.534 -9.182 -1.346 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.967 -7.938 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.328 -6.106 -1.141 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.926 -6.154 -4.682 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.289 -4.322 -2.894 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.588 -4.367 -4.642 1.00 0.00 H new