USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 425 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 30 THR OG1 : rot 63:sc= 0.62 USER MOD Set 1.2: A 35 SER OG : rot -141:sc= -0.652 USER MOD Single : A 25 THR OG1 : rot -164:sc= -3.36! USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.731 USER MOD Single : A 31 SER OG : rot 180:sc= 0.212 USER MOD Single : A 34 GLN : amide:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 180:sc= -0.81 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 351 N GLY A 24 -7.944 -1.670 2.432 1.00 0.00 N ATOM 352 CA GLY A 24 -7.855 -1.538 0.989 1.00 0.00 C ATOM 353 C GLY A 24 -6.557 -0.893 0.548 1.00 0.00 C ATOM 354 O GLY A 24 -6.551 -0.033 -0.334 1.00 0.00 O ATOM 0 HA2 GLY A 24 -7.942 -2.523 0.531 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.694 -0.943 0.629 1.00 0.00 H new ATOM 358 N THR A 25 -5.455 -1.319 1.152 1.00 0.00 N ATOM 359 CA THR A 25 -4.146 -0.759 0.832 1.00 0.00 C ATOM 360 C THR A 25 -3.431 -1.563 -0.241 1.00 0.00 C ATOM 361 O THR A 25 -3.401 -2.795 -0.206 1.00 0.00 O ATOM 362 CB THR A 25 -3.260 -0.693 2.076 1.00 0.00 C ATOM 363 OG1 THR A 25 -1.890 -0.696 1.717 1.00 0.00 O ATOM 364 CG2 THR A 25 -3.478 -1.845 3.035 1.00 0.00 C ATOM 0 H THR A 25 -5.440 -2.049 1.865 1.00 0.00 H new ATOM 0 HA THR A 25 -4.323 0.248 0.454 1.00 0.00 H new ATOM 0 HB THR A 25 -3.541 0.234 2.576 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.346 -0.907 2.504 1.00 0.00 H new ATOM 0 HG21 THR A 25 -2.817 -1.733 3.894 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.514 -1.846 3.373 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.260 -2.786 2.529 1.00 0.00 H new ATOM 372 N SER A 26 -2.796 -0.843 -1.154 1.00 0.00 N ATOM 373 CA SER A 26 -2.024 -1.455 -2.220 1.00 0.00 C ATOM 374 C SER A 26 -0.582 -0.981 -2.168 1.00 0.00 C ATOM 375 O SER A 26 -0.321 0.214 -2.260 1.00 0.00 O ATOM 376 CB SER A 26 -2.618 -1.090 -3.576 1.00 0.00 C ATOM 377 OG SER A 26 -3.950 -1.560 -3.699 1.00 0.00 O ATOM 0 H SER A 26 -2.802 0.177 -1.175 1.00 0.00 H new ATOM 0 HA SER A 26 -2.055 -2.536 -2.086 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.599 -0.008 -3.704 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.005 -1.516 -4.370 1.00 0.00 H new ATOM 0 HG SER A 26 -4.305 -1.310 -4.577 1.00 0.00 H new ATOM 383 N ALA A 27 0.353 -1.920 -2.097 1.00 0.00 N ATOM 384 CA ALA A 27 1.771 -1.579 -2.079 1.00 0.00 C ATOM 385 C ALA A 27 2.485 -2.303 -3.204 1.00 0.00 C ATOM 386 O ALA A 27 2.109 -3.406 -3.580 1.00 0.00 O ATOM 387 CB ALA A 27 2.406 -1.917 -0.732 1.00 0.00 C ATOM 0 H ALA A 27 0.157 -2.920 -2.051 1.00 0.00 H new ATOM 0 HA ALA A 27 1.870 -0.504 -2.226 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.463 -1.651 -0.751 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.905 -1.357 0.057 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.304 -2.985 -0.539 1.00 0.00 H new ATOM 393 N THR A 28 3.464 -1.640 -3.789 1.00 0.00 N ATOM 394 CA THR A 28 4.185 -2.188 -4.923 1.00 0.00 C ATOM 395 C THR A 28 5.671 -2.298 -4.607 1.00 0.00 C ATOM 396 O THR A 28 6.262 -1.372 -4.064 1.00 0.00 O ATOM 397 CB THR A 28 3.944 -1.295 -6.145 1.00 0.00 C ATOM 398 OG1 THR A 28 2.649 -1.524 -6.675 1.00 0.00 O ATOM 399 CG2 THR A 28 4.937 -1.495 -7.269 1.00 0.00 C ATOM 0 H THR A 28 3.780 -0.716 -3.496 1.00 0.00 H new ATOM 0 HA THR A 28 3.821 -3.192 -5.140 1.00 0.00 H new ATOM 0 HB THR A 28 4.060 -0.277 -5.774 1.00 0.00 H new ATOM 0 HG1 THR A 28 2.507 -0.946 -7.454 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.693 -0.825 -8.093 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.943 -1.277 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 28 4.891 -2.527 -7.615 1.00 0.00 H new ATOM 407 N ILE A 29 6.262 -3.440 -4.938 1.00 0.00 N ATOM 408 CA ILE A 29 7.672 -3.678 -4.672 1.00 0.00 C ATOM 409 C ILE A 29 8.515 -3.458 -5.916 1.00 0.00 C ATOM 410 O ILE A 29 8.283 -4.071 -6.958 1.00 0.00 O ATOM 411 CB ILE A 29 7.920 -5.110 -4.167 1.00 0.00 C ATOM 412 CG1 ILE A 29 6.782 -5.573 -3.252 1.00 0.00 C ATOM 413 CG2 ILE A 29 9.253 -5.202 -3.443 1.00 0.00 C ATOM 414 CD1 ILE A 29 6.386 -4.551 -2.209 1.00 0.00 C ATOM 0 H ILE A 29 5.783 -4.217 -5.393 1.00 0.00 H new ATOM 0 HA ILE A 29 7.962 -2.965 -3.900 1.00 0.00 H new ATOM 0 HB ILE A 29 7.951 -5.770 -5.034 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.911 -5.812 -3.862 1.00 0.00 H new ATOM 0 HG13 ILE A 29 7.082 -6.493 -2.751 1.00 0.00 H new ATOM 0 HG21 ILE A 29 9.408 -6.223 -3.094 1.00 0.00 H new ATOM 0 HG22 ILE A 29 10.057 -4.925 -4.125 1.00 0.00 H new ATOM 0 HG23 ILE A 29 9.251 -4.524 -2.590 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.575 -4.949 -1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 29 7.243 -4.329 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.054 -3.638 -2.702 1.00 0.00 H new ATOM 426 N THR A 30 9.510 -2.600 -5.784 1.00 0.00 N ATOM 427 CA THR A 30 10.420 -2.313 -6.882 1.00 0.00 C ATOM 428 C THR A 30 11.866 -2.378 -6.409 1.00 0.00 C ATOM 429 O THR A 30 12.386 -1.425 -5.829 1.00 0.00 O ATOM 430 CB THR A 30 10.119 -0.935 -7.468 1.00 0.00 C ATOM 431 OG1 THR A 30 11.235 -0.442 -8.188 1.00 0.00 O ATOM 432 CG2 THR A 30 9.750 0.095 -6.423 1.00 0.00 C ATOM 0 H THR A 30 9.710 -2.087 -4.925 1.00 0.00 H new ATOM 0 HA THR A 30 10.276 -3.066 -7.657 1.00 0.00 H new ATOM 0 HB THR A 30 9.261 -1.082 -8.124 1.00 0.00 H new ATOM 0 HG1 THR A 30 11.416 -1.028 -8.952 1.00 0.00 H new ATOM 0 HG21 THR A 30 9.549 1.050 -6.908 1.00 0.00 H new ATOM 0 HG22 THR A 30 8.860 -0.234 -5.887 1.00 0.00 H new ATOM 0 HG23 THR A 30 10.575 0.212 -5.720 1.00 0.00 H new ATOM 440 N SER A 31 12.514 -3.507 -6.673 1.00 0.00 N ATOM 441 CA SER A 31 13.897 -3.704 -6.281 1.00 0.00 C ATOM 442 C SER A 31 14.814 -3.682 -7.497 1.00 0.00 C ATOM 443 O SER A 31 14.392 -3.997 -8.610 1.00 0.00 O ATOM 444 CB SER A 31 14.054 -5.030 -5.531 1.00 0.00 C ATOM 445 OG SER A 31 14.156 -6.117 -6.434 1.00 0.00 O ATOM 0 H SER A 31 12.098 -4.301 -7.159 1.00 0.00 H new ATOM 0 HA SER A 31 14.181 -2.886 -5.619 1.00 0.00 H new ATOM 0 HB2 SER A 31 14.942 -4.992 -4.901 1.00 0.00 H new ATOM 0 HB3 SER A 31 13.201 -5.181 -4.870 1.00 0.00 H new ATOM 0 HG SER A 31 14.257 -6.952 -5.931 1.00 0.00 H new ATOM 451 N GLY A 32 16.071 -3.313 -7.280 1.00 0.00 N ATOM 452 CA GLY A 32 17.027 -3.263 -8.370 1.00 0.00 C ATOM 453 C GLY A 32 17.162 -4.593 -9.088 1.00 0.00 C ATOM 454 O GLY A 32 17.648 -4.648 -10.218 1.00 0.00 O ATOM 0 H GLY A 32 16.445 -3.048 -6.369 1.00 0.00 H new ATOM 0 HA2 GLY A 32 16.720 -2.499 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 32 18.000 -2.963 -7.981 1.00 0.00 H new ATOM 458 N GLU A 33 16.728 -5.667 -8.433 1.00 0.00 N ATOM 459 CA GLU A 33 16.815 -7.002 -9.013 1.00 0.00 C ATOM 460 C GLU A 33 15.566 -7.340 -9.820 1.00 0.00 C ATOM 461 O GLU A 33 15.620 -7.457 -11.045 1.00 0.00 O ATOM 462 CB GLU A 33 17.013 -8.045 -7.911 1.00 0.00 C ATOM 463 CG GLU A 33 18.191 -7.748 -6.998 1.00 0.00 C ATOM 464 CD GLU A 33 17.935 -8.162 -5.562 1.00 0.00 C ATOM 465 OE1 GLU A 33 17.078 -9.044 -5.344 1.00 0.00 O ATOM 466 OE2 GLU A 33 18.591 -7.606 -4.658 1.00 0.00 O ATOM 0 H GLU A 33 16.313 -5.638 -7.502 1.00 0.00 H new ATOM 0 HA GLU A 33 17.672 -7.016 -9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 33 16.105 -8.105 -7.311 1.00 0.00 H new ATOM 0 HB3 GLU A 33 17.157 -9.023 -8.370 1.00 0.00 H new ATOM 0 HG2 GLU A 33 19.074 -8.267 -7.370 1.00 0.00 H new ATOM 0 HG3 GLU A 33 18.411 -6.681 -7.031 1.00 0.00 H new ATOM 473 N GLN A 34 14.445 -7.517 -9.127 1.00 0.00 N ATOM 474 CA GLN A 34 13.193 -7.870 -9.785 1.00 0.00 C ATOM 475 C GLN A 34 12.060 -6.937 -9.370 1.00 0.00 C ATOM 476 O GLN A 34 11.146 -7.336 -8.650 1.00 0.00 O ATOM 477 CB GLN A 34 12.817 -9.317 -9.460 1.00 0.00 C ATOM 478 CG GLN A 34 11.621 -9.827 -10.247 1.00 0.00 C ATOM 479 CD GLN A 34 11.193 -11.218 -9.821 1.00 0.00 C ATOM 480 OE1 GLN A 34 10.026 -11.451 -9.509 1.00 0.00 O ATOM 481 NE2 GLN A 34 12.138 -12.150 -9.809 1.00 0.00 N ATOM 0 H GLN A 34 14.379 -7.422 -8.114 1.00 0.00 H new ATOM 0 HA GLN A 34 13.342 -7.764 -10.860 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.674 -9.960 -9.660 1.00 0.00 H new ATOM 0 HB3 GLN A 34 12.601 -9.397 -8.395 1.00 0.00 H new ATOM 0 HG2 GLN A 34 10.786 -9.139 -10.118 1.00 0.00 H new ATOM 0 HG3 GLN A 34 11.866 -9.836 -11.309 1.00 0.00 H new ATOM 0 HE21 GLN A 34 13.093 -11.911 -10.076 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.909 -13.105 -9.533 1.00 0.00 H new ATOM 490 N SER A 35 12.117 -5.698 -9.846 1.00 0.00 N ATOM 491 CA SER A 35 11.086 -4.713 -9.542 1.00 0.00 C ATOM 492 C SER A 35 9.870 -4.912 -10.440 1.00 0.00 C ATOM 493 O SER A 35 9.947 -4.728 -11.655 1.00 0.00 O ATOM 494 CB SER A 35 11.637 -3.297 -9.728 1.00 0.00 C ATOM 495 OG SER A 35 10.587 -2.349 -9.824 1.00 0.00 O ATOM 0 H SER A 35 12.867 -5.352 -10.444 1.00 0.00 H new ATOM 0 HA SER A 35 10.782 -4.847 -8.504 1.00 0.00 H new ATOM 0 HB2 SER A 35 12.285 -3.043 -8.889 1.00 0.00 H new ATOM 0 HB3 SER A 35 12.250 -3.257 -10.628 1.00 0.00 H new ATOM 0 HG SER A 35 10.816 -1.674 -10.497 1.00 0.00 H new ATOM 501 N GLY A 36 8.749 -5.292 -9.837 1.00 0.00 N ATOM 502 CA GLY A 36 7.535 -5.513 -10.602 1.00 0.00 C ATOM 503 C GLY A 36 6.566 -6.436 -9.892 1.00 0.00 C ATOM 504 O GLY A 36 6.026 -7.363 -10.496 1.00 0.00 O ATOM 0 H GLY A 36 8.659 -5.451 -8.833 1.00 0.00 H new ATOM 0 HA2 GLY A 36 7.049 -4.556 -10.791 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.792 -5.937 -11.572 1.00 0.00 H new ATOM 508 N ALA A 37 6.350 -6.186 -8.606 1.00 0.00 N ATOM 509 CA ALA A 37 5.441 -7.002 -7.813 1.00 0.00 C ATOM 510 C ALA A 37 4.550 -6.129 -6.935 1.00 0.00 C ATOM 511 O ALA A 37 5.038 -5.366 -6.102 1.00 0.00 O ATOM 512 CB ALA A 37 6.224 -7.988 -6.960 1.00 0.00 C ATOM 0 H ALA A 37 6.792 -5.425 -8.091 1.00 0.00 H new ATOM 0 HA ALA A 37 4.801 -7.561 -8.496 1.00 0.00 H new ATOM 0 HB1 ALA A 37 5.532 -8.591 -6.373 1.00 0.00 H new ATOM 0 HB2 ALA A 37 6.814 -8.638 -7.605 1.00 0.00 H new ATOM 0 HB3 ALA A 37 6.888 -7.442 -6.290 1.00 0.00 H new ATOM 518 N VAL A 38 3.242 -6.256 -7.123 1.00 0.00 N ATOM 519 CA VAL A 38 2.280 -5.476 -6.354 1.00 0.00 C ATOM 520 C VAL A 38 1.696 -6.299 -5.209 1.00 0.00 C ATOM 521 O VAL A 38 1.038 -7.316 -5.431 1.00 0.00 O ATOM 522 CB VAL A 38 1.136 -4.963 -7.249 1.00 0.00 C ATOM 523 CG1 VAL A 38 1.696 -4.165 -8.418 1.00 0.00 C ATOM 524 CG2 VAL A 38 0.280 -6.117 -7.747 1.00 0.00 C ATOM 0 H VAL A 38 2.823 -6.892 -7.802 1.00 0.00 H new ATOM 0 HA VAL A 38 2.816 -4.622 -5.941 1.00 0.00 H new ATOM 0 HB VAL A 38 0.502 -4.306 -6.654 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.876 -3.809 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.261 -3.313 -8.040 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.353 -4.801 -9.011 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.521 -5.730 -8.377 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.897 -6.804 -8.326 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.150 -6.645 -6.896 1.00 0.00 H new ATOM 534 N ILE A 39 1.945 -5.850 -3.984 1.00 0.00 N ATOM 535 CA ILE A 39 1.461 -6.539 -2.796 1.00 0.00 C ATOM 536 C ILE A 39 0.435 -5.703 -2.038 1.00 0.00 C ATOM 537 O ILE A 39 0.390 -4.480 -2.175 1.00 0.00 O ATOM 538 CB ILE A 39 2.619 -6.886 -1.834 1.00 0.00 C ATOM 539 CG1 ILE A 39 3.192 -5.624 -1.181 1.00 0.00 C ATOM 540 CG2 ILE A 39 3.709 -7.651 -2.569 1.00 0.00 C ATOM 541 CD1 ILE A 39 2.588 -5.332 0.174 1.00 0.00 C ATOM 0 H ILE A 39 2.483 -5.006 -3.788 1.00 0.00 H new ATOM 0 HA ILE A 39 0.989 -7.457 -3.146 1.00 0.00 H new ATOM 0 HB ILE A 39 2.222 -7.521 -1.042 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.271 -5.735 -1.075 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.022 -4.772 -1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.517 -7.888 -1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 39 3.296 -8.575 -2.974 1.00 0.00 H new ATOM 0 HG23 ILE A 39 4.096 -7.039 -3.384 1.00 0.00 H new ATOM 0 HD11 ILE A 39 3.035 -4.426 0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.512 -5.191 0.070 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.781 -6.168 0.846 1.00 0.00 H new ATOM 553 N ARG A 40 -0.359 -6.369 -1.206 1.00 0.00 N ATOM 554 CA ARG A 40 -1.331 -5.683 -0.367 1.00 0.00 C ATOM 555 C ARG A 40 -0.816 -5.615 1.065 1.00 0.00 C ATOM 556 O ARG A 40 -0.171 -6.547 1.545 1.00 0.00 O ATOM 557 CB ARG A 40 -2.686 -6.396 -0.408 1.00 0.00 C ATOM 558 CG ARG A 40 -3.674 -5.898 0.640 1.00 0.00 C ATOM 559 CD ARG A 40 -5.109 -6.019 0.154 1.00 0.00 C ATOM 560 NE ARG A 40 -5.433 -7.383 -0.257 1.00 0.00 N ATOM 561 CZ ARG A 40 -6.605 -7.736 -0.774 1.00 0.00 C ATOM 562 NH1 ARG A 40 -7.559 -6.831 -0.942 1.00 0.00 N ATOM 563 NH2 ARG A 40 -6.824 -8.996 -1.124 1.00 0.00 N ATOM 0 H ARG A 40 -0.347 -7.383 -1.096 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.468 -4.671 -0.749 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.124 -6.267 -1.398 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.528 -7.465 -0.266 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.550 -6.471 1.559 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.457 -4.857 0.881 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.788 -5.708 0.948 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.267 -5.340 -0.684 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.721 -8.104 -0.141 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.394 -5.861 -0.674 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.458 -7.105 -1.339 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -6.092 -9.695 -0.996 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.724 -9.266 -1.521 1.00 0.00 H new ATOM 577 N GLY A 41 -1.088 -4.508 1.737 1.00 0.00 N ATOM 578 CA GLY A 41 -0.630 -4.349 3.102 1.00 0.00 C ATOM 579 C GLY A 41 -0.473 -2.898 3.489 1.00 0.00 C ATOM 580 O GLY A 41 -0.125 -2.063 2.654 1.00 0.00 O ATOM 0 H GLY A 41 -1.616 -3.719 1.364 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.338 -4.828 3.778 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.325 -4.861 3.224 1.00 0.00 H new ATOM 584 N VAL A 42 -0.733 -2.587 4.754 1.00 0.00 N ATOM 585 CA VAL A 42 -0.653 -1.211 5.216 1.00 0.00 C ATOM 586 C VAL A 42 0.459 -1.014 6.247 1.00 0.00 C ATOM 587 O VAL A 42 1.079 -1.964 6.716 1.00 0.00 O ATOM 588 CB VAL A 42 -2.038 -0.719 5.754 1.00 0.00 C ATOM 589 CG1 VAL A 42 -1.992 -0.197 7.194 1.00 0.00 C ATOM 590 CG2 VAL A 42 -2.596 0.350 4.827 1.00 0.00 C ATOM 0 H VAL A 42 -0.998 -3.263 5.470 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.392 -0.593 4.357 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.693 -1.590 5.770 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.988 0.126 7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.651 -0.991 7.858 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.304 0.646 7.253 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.560 0.691 5.204 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.905 1.192 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.723 -0.066 3.827 1.00 0.00 H new ATOM 600 N PHE A 43 0.651 0.246 6.604 1.00 0.00 N ATOM 601 CA PHE A 43 1.667 0.662 7.551 1.00 0.00 C ATOM 602 C PHE A 43 1.133 0.672 8.980 1.00 0.00 C ATOM 603 O PHE A 43 -0.009 1.061 9.226 1.00 0.00 O ATOM 604 CB PHE A 43 2.114 2.058 7.148 1.00 0.00 C ATOM 605 CG PHE A 43 2.976 2.770 8.149 1.00 0.00 C ATOM 606 CD1 PHE A 43 2.417 3.323 9.289 1.00 0.00 C ATOM 607 CD2 PHE A 43 4.331 2.943 7.920 1.00 0.00 C ATOM 608 CE1 PHE A 43 3.199 4.003 10.201 1.00 0.00 C ATOM 609 CE2 PHE A 43 5.118 3.625 8.827 1.00 0.00 C ATOM 610 CZ PHE A 43 4.551 4.157 9.970 1.00 0.00 C ATOM 0 H PHE A 43 0.095 1.019 6.237 1.00 0.00 H new ATOM 0 HA PHE A 43 2.500 -0.040 7.531 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.660 1.989 6.207 1.00 0.00 H new ATOM 0 HB3 PHE A 43 1.228 2.665 6.959 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.357 3.221 9.467 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.777 2.540 7.023 1.00 0.00 H new ATOM 0 HE1 PHE A 43 2.753 4.414 11.095 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.176 3.743 8.643 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.164 4.692 10.680 1.00 0.00 H new ATOM 893 N SER A 64 5.663 -1.310 11.389 1.00 0.00 N ATOM 894 CA SER A 64 5.591 -2.552 10.631 1.00 0.00 C ATOM 895 C SER A 64 4.461 -2.517 9.609 1.00 0.00 C ATOM 896 O SER A 64 3.541 -1.707 9.704 1.00 0.00 O ATOM 897 CB SER A 64 5.424 -3.745 11.583 1.00 0.00 C ATOM 898 OG SER A 64 4.102 -4.261 11.556 1.00 0.00 O ATOM 0 HA SER A 64 6.526 -2.667 10.083 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.127 -4.531 11.307 1.00 0.00 H new ATOM 0 HB3 SER A 64 5.673 -3.437 12.598 1.00 0.00 H new ATOM 0 HG SER A 64 4.034 -5.019 12.173 1.00 0.00 H new ATOM 904 N LEU A 65 4.550 -3.407 8.630 1.00 0.00 N ATOM 905 CA LEU A 65 3.562 -3.498 7.567 1.00 0.00 C ATOM 906 C LEU A 65 2.868 -4.861 7.622 1.00 0.00 C ATOM 907 O LEU A 65 3.489 -5.868 7.960 1.00 0.00 O ATOM 908 CB LEU A 65 4.234 -3.272 6.204 1.00 0.00 C ATOM 909 CG LEU A 65 3.519 -3.876 4.984 1.00 0.00 C ATOM 910 CD1 LEU A 65 2.310 -3.037 4.604 1.00 0.00 C ATOM 911 CD2 LEU A 65 4.474 -3.996 3.808 1.00 0.00 C ATOM 0 H LEU A 65 5.308 -4.085 8.552 1.00 0.00 H new ATOM 0 HA LEU A 65 2.807 -2.723 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 65 4.334 -2.198 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 65 5.243 -3.683 6.247 1.00 0.00 H new ATOM 0 HG LEU A 65 3.175 -4.876 5.250 1.00 0.00 H new ATOM 0 HD11 LEU A 65 1.817 -3.480 3.739 1.00 0.00 H new ATOM 0 HD12 LEU A 65 1.613 -3.003 5.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.632 -2.025 4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.949 -4.425 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.850 -3.008 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 65 5.309 -4.641 4.082 1.00 0.00 H new ATOM 923 N PHE A 66 1.564 -4.870 7.379 1.00 0.00 N ATOM 924 CA PHE A 66 0.785 -6.101 7.409 1.00 0.00 C ATOM 925 C PHE A 66 0.549 -6.609 5.997 1.00 0.00 C ATOM 926 O PHE A 66 0.013 -5.897 5.154 1.00 0.00 O ATOM 927 CB PHE A 66 -0.553 -5.867 8.113 1.00 0.00 C ATOM 928 CG PHE A 66 -1.414 -7.096 8.186 1.00 0.00 C ATOM 929 CD1 PHE A 66 -0.864 -8.325 8.514 1.00 0.00 C ATOM 930 CD2 PHE A 66 -2.773 -7.021 7.927 1.00 0.00 C ATOM 931 CE1 PHE A 66 -1.654 -9.456 8.582 1.00 0.00 C ATOM 932 CE2 PHE A 66 -3.568 -8.149 7.993 1.00 0.00 C ATOM 933 CZ PHE A 66 -3.008 -9.368 8.321 1.00 0.00 C ATOM 0 H PHE A 66 1.022 -4.035 7.158 1.00 0.00 H new ATOM 0 HA PHE A 66 1.346 -6.853 7.964 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.364 -5.504 9.123 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.098 -5.082 7.589 1.00 0.00 H new ATOM 0 HD1 PHE A 66 0.194 -8.399 8.719 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.216 -6.070 7.671 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.214 -10.408 8.839 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -4.626 -8.078 7.788 1.00 0.00 H new ATOM 0 HZ PHE A 66 -3.627 -10.251 8.373 1.00 0.00 H new ATOM 943 N VAL A 67 0.963 -7.840 5.742 1.00 0.00 N ATOM 944 CA VAL A 67 0.840 -8.421 4.414 1.00 0.00 C ATOM 945 C VAL A 67 -0.166 -9.566 4.395 1.00 0.00 C ATOM 946 O VAL A 67 -0.562 -10.073 5.445 1.00 0.00 O ATOM 947 CB VAL A 67 2.207 -8.917 3.924 1.00 0.00 C ATOM 948 CG1 VAL A 67 2.687 -10.091 4.765 1.00 0.00 C ATOM 949 CG2 VAL A 67 2.155 -9.289 2.450 1.00 0.00 C ATOM 0 H VAL A 67 1.387 -8.456 6.436 1.00 0.00 H new ATOM 0 HA VAL A 67 0.476 -7.642 3.744 1.00 0.00 H new ATOM 0 HB VAL A 67 2.923 -8.103 4.038 1.00 0.00 H new ATOM 0 HG11 VAL A 67 3.658 -10.427 4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 67 2.778 -9.780 5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.969 -10.908 4.692 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.136 -9.637 2.128 1.00 0.00 H new ATOM 0 HG22 VAL A 67 1.422 -10.081 2.300 1.00 0.00 H new ATOM 0 HG23 VAL A 67 1.870 -8.415 1.864 1.00 0.00 H new ATOM 959 N ARG A 68 -0.594 -9.961 3.197 1.00 0.00 N ATOM 960 CA ARG A 68 -1.599 -11.011 3.064 1.00 0.00 C ATOM 961 C ARG A 68 -1.169 -12.116 2.100 1.00 0.00 C ATOM 962 O ARG A 68 -1.986 -12.611 1.325 1.00 0.00 O ATOM 963 CB ARG A 68 -2.921 -10.407 2.588 1.00 0.00 C ATOM 964 CG ARG A 68 -4.112 -10.792 3.449 1.00 0.00 C ATOM 965 CD ARG A 68 -4.435 -9.713 4.471 1.00 0.00 C ATOM 966 NE ARG A 68 -5.866 -9.629 4.743 1.00 0.00 N ATOM 967 CZ ARG A 68 -6.727 -8.972 3.973 1.00 0.00 C ATOM 968 NH1 ARG A 68 -6.301 -8.345 2.884 1.00 0.00 N ATOM 969 NH2 ARG A 68 -8.013 -8.942 4.290 1.00 0.00 N ATOM 0 H ARG A 68 -0.264 -9.573 2.313 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.721 -11.463 4.048 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.830 -9.321 2.574 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.107 -10.725 1.562 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.981 -10.964 2.814 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.902 -11.730 3.963 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.901 -9.921 5.398 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -4.078 -8.750 4.106 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.226 -10.102 5.572 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -5.312 -8.367 2.637 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.963 -7.841 2.294 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.344 -9.424 5.126 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -8.673 -8.437 3.698 1.00 0.00 H new ATOM 983 N THR A 69 0.094 -12.530 2.171 1.00 0.00 N ATOM 984 CA THR A 69 0.582 -13.612 1.317 1.00 0.00 C ATOM 985 C THR A 69 1.997 -14.057 1.728 1.00 0.00 C ATOM 986 O THR A 69 2.150 -14.803 2.694 1.00 0.00 O ATOM 987 CB THR A 69 0.535 -13.200 -0.160 1.00 0.00 C ATOM 988 OG1 THR A 69 0.725 -11.803 -0.297 1.00 0.00 O ATOM 989 CG2 THR A 69 -0.766 -13.559 -0.843 1.00 0.00 C ATOM 0 H THR A 69 0.792 -12.138 2.803 1.00 0.00 H new ATOM 0 HA THR A 69 -0.079 -14.469 1.450 1.00 0.00 H new ATOM 0 HB THR A 69 1.340 -13.756 -0.640 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.693 -11.560 -1.246 1.00 0.00 H new ATOM 0 HG21 THR A 69 -0.731 -13.239 -1.884 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.914 -14.638 -0.800 1.00 0.00 H new ATOM 0 HG23 THR A 69 -1.592 -13.059 -0.338 1.00 0.00 H new ATOM 997 N ASP A 70 3.023 -13.615 0.993 1.00 0.00 N ATOM 998 CA ASP A 70 4.401 -13.997 1.293 1.00 0.00 C ATOM 999 C ASP A 70 5.370 -13.399 0.276 1.00 0.00 C ATOM 1000 O ASP A 70 6.359 -14.027 -0.099 1.00 0.00 O ATOM 1001 CB ASP A 70 4.543 -15.519 1.299 1.00 0.00 C ATOM 1002 CG ASP A 70 5.601 -15.997 2.273 1.00 0.00 C ATOM 1003 OD1 ASP A 70 6.203 -15.146 2.961 1.00 0.00 O ATOM 1004 OD2 ASP A 70 5.827 -17.223 2.350 1.00 0.00 O ATOM 0 H ASP A 70 2.923 -12.995 0.190 1.00 0.00 H new ATOM 0 HA ASP A 70 4.646 -13.607 2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 70 3.585 -15.969 1.558 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.796 -15.862 0.296 1.00 0.00 H new ATOM 1009 N GLU A 71 5.066 -12.189 -0.184 1.00 0.00 N ATOM 1010 CA GLU A 71 5.912 -11.499 -1.144 1.00 0.00 C ATOM 1011 C GLU A 71 6.808 -10.505 -0.426 1.00 0.00 C ATOM 1012 O GLU A 71 7.960 -10.300 -0.808 1.00 0.00 O ATOM 1013 CB GLU A 71 5.058 -10.777 -2.188 1.00 0.00 C ATOM 1014 CG GLU A 71 4.922 -11.539 -3.495 1.00 0.00 C ATOM 1015 CD GLU A 71 3.987 -10.857 -4.475 1.00 0.00 C ATOM 1016 OE1 GLU A 71 2.765 -10.846 -4.219 1.00 0.00 O ATOM 1017 OE2 GLU A 71 4.478 -10.334 -5.498 1.00 0.00 O ATOM 0 H GLU A 71 4.236 -11.667 0.096 1.00 0.00 H new ATOM 0 HA GLU A 71 6.534 -12.235 -1.653 1.00 0.00 H new ATOM 0 HB2 GLU A 71 4.065 -10.601 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.496 -9.800 -2.391 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.906 -11.647 -3.952 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.555 -12.544 -3.288 1.00 0.00 H new ATOM 1024 N VAL A 72 6.276 -9.901 0.632 1.00 0.00 N ATOM 1025 CA VAL A 72 7.045 -8.954 1.423 1.00 0.00 C ATOM 1026 C VAL A 72 8.244 -9.651 2.043 1.00 0.00 C ATOM 1027 O VAL A 72 9.305 -9.052 2.218 1.00 0.00 O ATOM 1028 CB VAL A 72 6.203 -8.307 2.526 1.00 0.00 C ATOM 1029 CG1 VAL A 72 5.147 -7.407 1.907 1.00 0.00 C ATOM 1030 CG2 VAL A 72 5.578 -9.370 3.412 1.00 0.00 C ATOM 0 H VAL A 72 5.321 -10.051 0.958 1.00 0.00 H new ATOM 0 HA VAL A 72 7.378 -8.163 0.751 1.00 0.00 H new ATOM 0 HB VAL A 72 6.847 -7.693 3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.551 -6.949 2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.632 -6.627 1.320 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.499 -7.998 1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.983 -8.892 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.937 -10.014 2.810 1.00 0.00 H new ATOM 0 HG23 VAL A 72 6.364 -9.968 3.873 1.00 0.00 H new ATOM 1040 N ARG A 73 8.075 -10.935 2.335 1.00 0.00 N ATOM 1041 CA ARG A 73 9.160 -11.746 2.862 1.00 0.00 C ATOM 1042 C ARG A 73 10.327 -11.718 1.887 1.00 0.00 C ATOM 1043 O ARG A 73 11.485 -11.574 2.277 1.00 0.00 O ATOM 1044 CB ARG A 73 8.688 -13.183 3.074 1.00 0.00 C ATOM 1045 CG ARG A 73 9.369 -13.880 4.235 1.00 0.00 C ATOM 1046 CD ARG A 73 10.844 -14.118 3.950 1.00 0.00 C ATOM 1047 NE ARG A 73 11.227 -15.509 4.174 1.00 0.00 N ATOM 1048 CZ ARG A 73 10.995 -16.484 3.302 1.00 0.00 C ATOM 1049 NH1 ARG A 73 10.384 -16.219 2.155 1.00 0.00 N ATOM 1050 NH2 ARG A 73 11.373 -17.726 3.575 1.00 0.00 N ATOM 0 H ARG A 73 7.194 -11.436 2.215 1.00 0.00 H new ATOM 0 HA ARG A 73 9.480 -11.341 3.822 1.00 0.00 H new ATOM 0 HB2 ARG A 73 7.611 -13.182 3.243 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.867 -13.754 2.163 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.264 -13.276 5.136 1.00 0.00 H new ATOM 0 HG3 ARG A 73 8.876 -14.832 4.430 1.00 0.00 H new ATOM 0 HD2 ARG A 73 11.063 -13.843 2.918 1.00 0.00 H new ATOM 0 HD3 ARG A 73 11.446 -13.469 4.587 1.00 0.00 H new ATOM 0 HE ARG A 73 11.698 -15.745 5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 73 10.092 -15.265 1.941 1.00 0.00 H new ATOM 0 HH12 ARG A 73 10.207 -16.969 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 73 11.843 -17.934 4.456 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.194 -18.473 2.904 1.00 0.00 H new ATOM 1064 N GLN A 74 9.993 -11.831 0.607 1.00 0.00 N ATOM 1065 CA GLN A 74 10.977 -11.771 -0.464 1.00 0.00 C ATOM 1066 C GLN A 74 11.535 -10.355 -0.602 1.00 0.00 C ATOM 1067 O GLN A 74 12.618 -10.154 -1.152 1.00 0.00 O ATOM 1068 CB GLN A 74 10.328 -12.215 -1.777 1.00 0.00 C ATOM 1069 CG GLN A 74 9.333 -13.354 -1.607 1.00 0.00 C ATOM 1070 CD GLN A 74 9.282 -14.268 -2.814 1.00 0.00 C ATOM 1071 OE1 GLN A 74 8.339 -14.220 -3.605 1.00 0.00 O ATOM 1072 NE2 GLN A 74 10.300 -15.108 -2.965 1.00 0.00 N ATOM 0 H GLN A 74 9.035 -11.966 0.284 1.00 0.00 H new ATOM 0 HA GLN A 74 11.803 -12.440 -0.225 1.00 0.00 H new ATOM 0 HB2 GLN A 74 9.819 -11.363 -2.228 1.00 0.00 H new ATOM 0 HB3 GLN A 74 11.108 -12.525 -2.472 1.00 0.00 H new ATOM 0 HG2 GLN A 74 9.601 -13.937 -0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 74 8.341 -12.941 -1.427 1.00 0.00 H new ATOM 0 HE21 GLN A 74 11.061 -15.115 -2.286 1.00 0.00 H new ATOM 0 HE22 GLN A 74 10.321 -15.746 -3.760 1.00 0.00 H new ATOM 1081 N LEU A 75 10.784 -9.384 -0.086 1.00 0.00 N ATOM 1082 CA LEU A 75 11.177 -7.979 -0.101 1.00 0.00 C ATOM 1083 C LEU A 75 12.423 -7.747 0.752 1.00 0.00 C ATOM 1084 O LEU A 75 12.382 -7.021 1.744 1.00 0.00 O ATOM 1085 CB LEU A 75 10.024 -7.147 0.440 1.00 0.00 C ATOM 1086 CG LEU A 75 9.710 -5.875 -0.313 1.00 0.00 C ATOM 1087 CD1 LEU A 75 8.737 -5.045 0.494 1.00 0.00 C ATOM 1088 CD2 LEU A 75 10.974 -5.095 -0.630 1.00 0.00 C ATOM 0 H LEU A 75 9.881 -9.552 0.357 1.00 0.00 H new ATOM 0 HA LEU A 75 11.411 -7.686 -1.124 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.129 -7.768 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 75 10.245 -6.887 1.475 1.00 0.00 H new ATOM 0 HG LEU A 75 9.250 -6.131 -1.268 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.508 -4.126 -0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 75 7.819 -5.612 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 75 9.182 -4.798 1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 75 10.714 -4.186 -1.172 1.00 0.00 H new ATOM 0 HD22 LEU A 75 11.482 -4.832 0.298 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.635 -5.707 -1.244 1.00 0.00 H new ATOM 1100 N ARG A 76 13.523 -8.386 0.377 1.00 0.00 N ATOM 1101 CA ARG A 76 14.765 -8.268 1.128 1.00 0.00 C ATOM 1102 C ARG A 76 15.231 -6.818 1.194 1.00 0.00 C ATOM 1103 O ARG A 76 14.920 -6.014 0.315 1.00 0.00 O ATOM 1104 CB ARG A 76 15.841 -9.150 0.494 1.00 0.00 C ATOM 1105 CG ARG A 76 15.457 -10.622 0.437 1.00 0.00 C ATOM 1106 CD ARG A 76 15.635 -11.296 1.788 1.00 0.00 C ATOM 1107 NE ARG A 76 16.991 -11.137 2.304 1.00 0.00 N ATOM 1108 CZ ARG A 76 18.037 -11.818 1.848 1.00 0.00 C ATOM 1109 NH1 ARG A 76 17.881 -12.700 0.870 1.00 0.00 N ATOM 1110 NH2 ARG A 76 19.239 -11.616 2.369 1.00 0.00 N ATOM 0 H ARG A 76 13.580 -8.991 -0.442 1.00 0.00 H new ATOM 0 HA ARG A 76 14.585 -8.605 2.149 1.00 0.00 H new ATOM 0 HB2 ARG A 76 16.043 -8.795 -0.517 1.00 0.00 H new ATOM 0 HB3 ARG A 76 16.767 -9.045 1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 76 14.420 -10.716 0.116 1.00 0.00 H new ATOM 0 HG3 ARG A 76 16.069 -11.130 -0.308 1.00 0.00 H new ATOM 0 HD2 ARG A 76 14.925 -10.875 2.500 1.00 0.00 H new ATOM 0 HD3 ARG A 76 15.404 -12.357 1.697 1.00 0.00 H new ATOM 0 HE ARG A 76 17.144 -10.466 3.057 1.00 0.00 H new ATOM 0 HH11 ARG A 76 16.957 -12.856 0.467 1.00 0.00 H new ATOM 0 HH12 ARG A 76 18.685 -13.222 0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.362 -10.937 3.121 1.00 0.00 H new ATOM 0 HH22 ARG A 76 20.041 -12.139 2.018 1.00 0.00 H new ATOM 1124 N ARG A 77 15.969 -6.486 2.252 1.00 0.00 N ATOM 1125 CA ARG A 77 16.464 -5.125 2.458 1.00 0.00 C ATOM 1126 C ARG A 77 16.978 -4.510 1.159 1.00 0.00 C ATOM 1127 O ARG A 77 17.294 -5.220 0.205 1.00 0.00 O ATOM 1128 CB ARG A 77 17.574 -5.121 3.511 1.00 0.00 C ATOM 1129 CG ARG A 77 17.752 -3.779 4.202 1.00 0.00 C ATOM 1130 CD ARG A 77 18.122 -3.950 5.666 1.00 0.00 C ATOM 1131 NE ARG A 77 19.569 -3.977 5.864 1.00 0.00 N ATOM 1132 CZ ARG A 77 20.331 -2.888 5.884 1.00 0.00 C ATOM 1133 NH1 ARG A 77 19.785 -1.691 5.717 1.00 0.00 N ATOM 1134 NH2 ARG A 77 21.640 -2.996 6.069 1.00 0.00 N ATOM 0 H ARG A 77 16.239 -7.144 2.983 1.00 0.00 H new ATOM 0 HA ARG A 77 15.628 -4.519 2.808 1.00 0.00 H new ATOM 0 HB2 ARG A 77 17.354 -5.880 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 77 18.514 -5.404 3.037 1.00 0.00 H new ATOM 0 HG2 ARG A 77 18.529 -3.207 3.694 1.00 0.00 H new ATOM 0 HG3 ARG A 77 16.830 -3.203 4.124 1.00 0.00 H new ATOM 0 HD2 ARG A 77 17.692 -3.134 6.247 1.00 0.00 H new ATOM 0 HD3 ARG A 77 17.687 -4.875 6.045 1.00 0.00 H new ATOM 0 HE ARG A 77 20.020 -4.882 5.994 1.00 0.00 H new ATOM 0 HH11 ARG A 77 18.779 -1.605 5.573 1.00 0.00 H new ATOM 0 HH12 ARG A 77 20.371 -0.856 5.733 1.00 0.00 H new ATOM 0 HH21 ARG A 77 22.063 -3.915 6.196 1.00 0.00 H new ATOM 0 HH22 ARG A 77 22.224 -2.160 6.084 1.00 0.00 H new ATOM 1148 N GLY A 78 17.050 -3.182 1.128 1.00 0.00 N ATOM 1149 CA GLY A 78 17.509 -2.492 -0.061 1.00 0.00 C ATOM 1150 C GLY A 78 16.481 -2.524 -1.174 1.00 0.00 C ATOM 1151 O GLY A 78 16.831 -2.553 -2.353 1.00 0.00 O ATOM 0 H GLY A 78 16.798 -2.573 1.906 1.00 0.00 H new ATOM 0 HA2 GLY A 78 17.740 -1.456 0.188 1.00 0.00 H new ATOM 0 HA3 GLY A 78 18.435 -2.950 -0.410 1.00 0.00 H new ATOM 1155 N ASP A 79 15.208 -2.524 -0.794 1.00 0.00 N ATOM 1156 CA ASP A 79 14.120 -2.564 -1.764 1.00 0.00 C ATOM 1157 C ASP A 79 13.109 -1.451 -1.499 1.00 0.00 C ATOM 1158 O ASP A 79 12.616 -1.300 -0.381 1.00 0.00 O ATOM 1159 CB ASP A 79 13.420 -3.925 -1.714 1.00 0.00 C ATOM 1160 CG ASP A 79 14.263 -5.029 -2.323 1.00 0.00 C ATOM 1161 OD1 ASP A 79 15.505 -4.911 -2.297 1.00 0.00 O ATOM 1162 OD2 ASP A 79 13.678 -6.013 -2.825 1.00 0.00 O ATOM 0 H ASP A 79 14.904 -2.497 0.179 1.00 0.00 H new ATOM 0 HA ASP A 79 14.545 -2.413 -2.756 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.191 -4.175 -0.678 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.470 -3.862 -2.244 1.00 0.00 H new ATOM 1167 N THR A 80 12.797 -0.681 -2.538 1.00 0.00 N ATOM 1168 CA THR A 80 11.833 0.408 -2.419 1.00 0.00 C ATOM 1169 C THR A 80 10.474 -0.023 -2.957 1.00 0.00 C ATOM 1170 O THR A 80 10.389 -0.733 -3.959 1.00 0.00 O ATOM 1171 CB THR A 80 12.328 1.643 -3.173 1.00 0.00 C ATOM 1172 OG1 THR A 80 13.743 1.706 -3.158 1.00 0.00 O ATOM 1173 CG2 THR A 80 11.804 2.942 -2.601 1.00 0.00 C ATOM 0 H THR A 80 13.197 -0.791 -3.470 1.00 0.00 H new ATOM 0 HA THR A 80 11.728 0.660 -1.364 1.00 0.00 H new ATOM 0 HB THR A 80 11.949 1.533 -4.189 1.00 0.00 H new ATOM 0 HG1 THR A 80 14.040 2.502 -3.647 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.193 3.778 -3.182 1.00 0.00 H new ATOM 0 HG22 THR A 80 10.715 2.945 -2.644 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.126 3.039 -1.564 1.00 0.00 H new ATOM 1181 N LEU A 81 9.412 0.392 -2.273 1.00 0.00 N ATOM 1182 CA LEU A 81 8.063 0.011 -2.656 1.00 0.00 C ATOM 1183 C LEU A 81 7.134 1.221 -2.610 1.00 0.00 C ATOM 1184 O LEU A 81 7.465 2.238 -2.006 1.00 0.00 O ATOM 1185 CB LEU A 81 7.536 -1.112 -1.744 1.00 0.00 C ATOM 1186 CG LEU A 81 8.289 -1.293 -0.418 1.00 0.00 C ATOM 1187 CD1 LEU A 81 7.529 -2.217 0.520 1.00 0.00 C ATOM 1188 CD2 LEU A 81 9.695 -1.816 -0.667 1.00 0.00 C ATOM 0 H LEU A 81 9.463 0.993 -1.450 1.00 0.00 H new ATOM 0 HA LEU A 81 8.089 -0.365 -3.679 1.00 0.00 H new ATOM 0 HB2 LEU A 81 6.487 -0.915 -1.522 1.00 0.00 H new ATOM 0 HB3 LEU A 81 7.574 -2.052 -2.295 1.00 0.00 H new ATOM 0 HG LEU A 81 8.366 -0.317 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.085 -2.328 1.451 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.547 -1.793 0.731 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.409 -3.194 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 81 10.212 -1.937 0.285 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.640 -2.779 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU A 81 10.242 -1.107 -1.289 1.00 0.00 H new ATOM 1200 N THR A 82 6.011 1.134 -3.311 1.00 0.00 N ATOM 1201 CA THR A 82 5.063 2.243 -3.380 1.00 0.00 C ATOM 1202 C THR A 82 3.675 1.817 -2.905 1.00 0.00 C ATOM 1203 O THR A 82 3.134 0.821 -3.380 1.00 0.00 O ATOM 1204 CB THR A 82 4.978 2.748 -4.821 1.00 0.00 C ATOM 1205 OG1 THR A 82 5.187 1.686 -5.736 1.00 0.00 O ATOM 1206 CG2 THR A 82 5.986 3.827 -5.135 1.00 0.00 C ATOM 0 H THR A 82 5.733 0.308 -3.841 1.00 0.00 H new ATOM 0 HA THR A 82 5.417 3.038 -2.724 1.00 0.00 H new ATOM 0 HB THR A 82 3.977 3.167 -4.923 1.00 0.00 H new ATOM 0 HG1 THR A 82 5.127 2.027 -6.653 1.00 0.00 H new ATOM 0 HG21 THR A 82 5.872 4.141 -6.173 1.00 0.00 H new ATOM 0 HG22 THR A 82 5.822 4.681 -4.478 1.00 0.00 H new ATOM 0 HG23 THR A 82 6.993 3.440 -4.982 1.00 0.00 H new ATOM 1214 N ILE A 83 3.087 2.589 -1.990 1.00 0.00 N ATOM 1215 CA ILE A 83 1.754 2.269 -1.472 1.00 0.00 C ATOM 1216 C ILE A 83 0.882 3.511 -1.345 1.00 0.00 C ATOM 1217 O ILE A 83 1.324 4.540 -0.839 1.00 0.00 O ATOM 1218 CB ILE A 83 1.828 1.585 -0.094 1.00 0.00 C ATOM 1219 CG1 ILE A 83 0.424 1.259 0.435 1.00 0.00 C ATOM 1220 CG2 ILE A 83 2.569 2.483 0.876 1.00 0.00 C ATOM 1221 CD1 ILE A 83 0.396 0.852 1.895 1.00 0.00 C ATOM 0 H ILE A 83 3.506 3.431 -1.595 1.00 0.00 H new ATOM 0 HA ILE A 83 1.308 1.586 -2.195 1.00 0.00 H new ATOM 0 HB ILE A 83 2.368 0.644 -0.197 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.216 2.131 0.299 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -0.001 0.454 -0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 83 2.622 2.000 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 83 3.578 2.664 0.506 1.00 0.00 H new ATOM 0 HG23 ILE A 83 2.041 3.432 0.969 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -0.630 0.638 2.193 1.00 0.00 H new ATOM 0 HD12 ILE A 83 1.008 -0.039 2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.790 1.664 2.507 1.00 0.00 H new ATOM 1233 N GLY A 84 -0.373 3.405 -1.781 1.00 0.00 N ATOM 1234 CA GLY A 84 -1.291 4.535 -1.703 1.00 0.00 C ATOM 1235 C GLY A 84 -0.633 5.833 -2.130 1.00 0.00 C ATOM 1236 O GLY A 84 -0.535 6.123 -3.323 1.00 0.00 O ATOM 0 H GLY A 84 -0.771 2.558 -2.187 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -2.157 4.343 -2.336 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -1.658 4.634 -0.681 1.00 0.00 H new ATOM 1240 N GLU A 85 -0.129 6.587 -1.156 1.00 0.00 N ATOM 1241 CA GLU A 85 0.619 7.808 -1.445 1.00 0.00 C ATOM 1242 C GLU A 85 1.704 7.513 -2.471 1.00 0.00 C ATOM 1243 O GLU A 85 2.068 8.378 -3.257 1.00 0.00 O ATOM 1244 CB GLU A 85 1.239 8.374 -0.166 1.00 0.00 C ATOM 1245 CG GLU A 85 0.232 8.605 0.949 1.00 0.00 C ATOM 1246 CD GLU A 85 -0.497 9.927 0.811 1.00 0.00 C ATOM 1247 OE1 GLU A 85 0.028 10.825 0.121 1.00 0.00 O ATOM 1248 OE2 GLU A 85 -1.592 10.065 1.396 1.00 0.00 O ATOM 0 H GLU A 85 -0.224 6.375 -0.163 1.00 0.00 H new ATOM 0 HA GLU A 85 -0.065 8.553 -1.851 1.00 0.00 H new ATOM 0 HB2 GLU A 85 2.009 7.689 0.188 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.733 9.317 -0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -0.494 7.792 0.952 1.00 0.00 H new ATOM 0 HG3 GLU A 85 0.746 8.576 1.910 1.00 0.00 H new ATOM 1255 N GLU A 86 2.150 6.251 -2.472 1.00 0.00 N ATOM 1256 CA GLU A 86 3.142 5.715 -3.408 1.00 0.00 C ATOM 1257 C GLU A 86 4.534 5.681 -2.793 1.00 0.00 C ATOM 1258 O GLU A 86 5.531 5.855 -3.492 1.00 0.00 O ATOM 1259 CB GLU A 86 3.138 6.461 -4.753 1.00 0.00 C ATOM 1260 CG GLU A 86 4.037 7.696 -4.826 1.00 0.00 C ATOM 1261 CD GLU A 86 5.010 7.641 -5.986 1.00 0.00 C ATOM 1262 OE1 GLU A 86 4.640 8.083 -7.094 1.00 0.00 O ATOM 1263 OE2 GLU A 86 6.146 7.160 -5.786 1.00 0.00 O ATOM 0 H GLU A 86 1.821 5.556 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 86 2.850 4.686 -3.617 1.00 0.00 H new ATOM 0 HB2 GLU A 86 3.442 5.765 -5.535 1.00 0.00 H new ATOM 0 HB3 GLU A 86 2.115 6.764 -4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 86 3.417 8.587 -4.919 1.00 0.00 H new ATOM 0 HG3 GLU A 86 4.594 7.791 -3.894 1.00 0.00 H new ATOM 1270 N ASN A 87 4.607 5.492 -1.480 1.00 0.00 N ATOM 1271 CA ASN A 87 5.901 5.411 -0.826 1.00 0.00 C ATOM 1272 C ASN A 87 5.939 4.403 0.321 1.00 0.00 C ATOM 1273 O ASN A 87 5.387 4.637 1.396 1.00 0.00 O ATOM 1274 CB ASN A 87 6.335 6.781 -0.324 1.00 0.00 C ATOM 1275 CG ASN A 87 7.629 7.246 -0.965 1.00 0.00 C ATOM 1276 OD1 ASN A 87 7.629 7.783 -2.074 1.00 0.00 O ATOM 1277 ND2 ASN A 87 8.742 7.040 -0.270 1.00 0.00 N ATOM 0 H ASN A 87 3.802 5.394 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 87 6.599 5.055 -1.584 1.00 0.00 H new ATOM 0 HB2 ASN A 87 5.549 7.507 -0.530 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.460 6.746 0.758 1.00 0.00 H new ATOM 0 HD21 ASN A 87 9.642 7.330 -0.651 1.00 0.00 H new ATOM 0 HD22 ASN A 87 8.696 6.592 0.645 1.00 0.00 H new ATOM 1284 N PHE A 88 6.680 3.328 0.100 1.00 0.00 N ATOM 1285 CA PHE A 88 6.946 2.323 1.112 1.00 0.00 C ATOM 1286 C PHE A 88 8.391 1.876 0.981 1.00 0.00 C ATOM 1287 O PHE A 88 8.913 1.744 -0.127 1.00 0.00 O ATOM 1288 CB PHE A 88 6.006 1.110 0.966 1.00 0.00 C ATOM 1289 CG PHE A 88 4.885 1.011 1.973 1.00 0.00 C ATOM 1290 CD1 PHE A 88 4.744 1.939 2.980 1.00 0.00 C ATOM 1291 CD2 PHE A 88 4.003 -0.060 1.936 1.00 0.00 C ATOM 1292 CE1 PHE A 88 3.735 1.832 3.917 1.00 0.00 C ATOM 1293 CE2 PHE A 88 2.998 -0.184 2.877 1.00 0.00 C ATOM 1294 CZ PHE A 88 2.864 0.765 3.870 1.00 0.00 C ATOM 0 H PHE A 88 7.118 3.129 -0.799 1.00 0.00 H new ATOM 0 HA PHE A 88 6.768 2.758 2.096 1.00 0.00 H new ATOM 0 HB2 PHE A 88 5.569 1.133 -0.032 1.00 0.00 H new ATOM 0 HB3 PHE A 88 6.606 0.202 1.030 1.00 0.00 H new ATOM 0 HD1 PHE A 88 5.436 2.766 3.038 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.103 -0.806 1.162 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.629 2.583 4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 88 2.319 -1.022 2.835 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.080 0.672 4.607 1.00 0.00 H new ATOM 1304 N TRP A 89 9.045 1.682 2.108 1.00 0.00 N ATOM 1305 CA TRP A 89 10.446 1.264 2.114 1.00 0.00 C ATOM 1306 C TRP A 89 10.670 0.148 3.121 1.00 0.00 C ATOM 1307 O TRP A 89 10.131 0.187 4.221 1.00 0.00 O ATOM 1308 CB TRP A 89 11.360 2.449 2.429 1.00 0.00 C ATOM 1309 CG TRP A 89 12.780 2.227 2.004 1.00 0.00 C ATOM 1310 CD1 TRP A 89 13.260 2.216 0.727 1.00 0.00 C ATOM 1311 CD2 TRP A 89 13.900 1.971 2.858 1.00 0.00 C ATOM 1312 NE1 TRP A 89 14.613 1.975 0.734 1.00 0.00 N ATOM 1313 CE2 TRP A 89 15.030 1.821 2.031 1.00 0.00 C ATOM 1314 CE3 TRP A 89 14.060 1.859 4.242 1.00 0.00 C ATOM 1315 CZ2 TRP A 89 16.299 1.562 2.543 1.00 0.00 C ATOM 1316 CZ3 TRP A 89 15.320 1.603 4.749 1.00 0.00 C ATOM 1317 CH2 TRP A 89 16.426 1.457 3.901 1.00 0.00 C ATOM 0 H TRP A 89 8.636 1.805 3.034 1.00 0.00 H new ATOM 0 HA TRP A 89 10.691 0.889 1.120 1.00 0.00 H new ATOM 0 HB2 TRP A 89 10.974 3.340 1.933 1.00 0.00 H new ATOM 0 HB3 TRP A 89 11.334 2.645 3.501 1.00 0.00 H new ATOM 0 HD1 TRP A 89 12.664 2.374 -0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 89 15.210 1.920 -0.091 1.00 0.00 H new ATOM 0 HE3 TRP A 89 13.214 1.971 4.904 1.00 0.00 H new ATOM 0 HZ2 TRP A 89 17.152 1.448 1.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 89 15.454 1.514 5.817 1.00 0.00 H new ATOM 0 HH2 TRP A 89 17.398 1.258 4.328 1.00 0.00 H new ATOM 1328 N VAL A 90 11.524 -0.814 2.783 1.00 0.00 N ATOM 1329 CA VAL A 90 11.745 -1.938 3.678 1.00 0.00 C ATOM 1330 C VAL A 90 12.780 -1.595 4.732 1.00 0.00 C ATOM 1331 O VAL A 90 13.976 -1.495 4.460 1.00 0.00 O ATOM 1332 CB VAL A 90 12.201 -3.208 2.934 1.00 0.00 C ATOM 1333 CG1 VAL A 90 12.393 -4.358 3.913 1.00 0.00 C ATOM 1334 CG2 VAL A 90 11.203 -3.590 1.860 1.00 0.00 C ATOM 0 H VAL A 90 12.061 -0.837 1.916 1.00 0.00 H new ATOM 0 HA VAL A 90 10.783 -2.142 4.148 1.00 0.00 H new ATOM 0 HB VAL A 90 13.156 -2.997 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 90 12.715 -5.247 3.371 1.00 0.00 H new ATOM 0 HG12 VAL A 90 13.150 -4.087 4.649 1.00 0.00 H new ATOM 0 HG13 VAL A 90 11.451 -4.564 4.421 1.00 0.00 H new ATOM 0 HG21 VAL A 90 11.546 -4.489 1.348 1.00 0.00 H new ATOM 0 HG22 VAL A 90 10.232 -3.780 2.317 1.00 0.00 H new ATOM 0 HG23 VAL A 90 11.112 -2.776 1.141 1.00 0.00 H new ATOM 1344 N ASP A 91 12.281 -1.438 5.946 1.00 0.00 N ATOM 1345 CA ASP A 91 13.100 -1.140 7.100 1.00 0.00 C ATOM 1346 C ASP A 91 13.659 -2.424 7.718 1.00 0.00 C ATOM 1347 O ASP A 91 14.466 -2.374 8.646 1.00 0.00 O ATOM 1348 CB ASP A 91 12.248 -0.388 8.121 1.00 0.00 C ATOM 1349 CG ASP A 91 13.046 0.071 9.325 1.00 0.00 C ATOM 1350 OD1 ASP A 91 13.355 -0.775 10.192 1.00 0.00 O ATOM 1351 OD2 ASP A 91 13.364 1.277 9.402 1.00 0.00 O ATOM 0 H ASP A 91 11.286 -1.515 6.156 1.00 0.00 H new ATOM 0 HA ASP A 91 13.946 -0.524 6.795 1.00 0.00 H new ATOM 0 HB2 ASP A 91 11.793 0.478 7.641 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.434 -1.032 8.454 1.00 0.00 H new ATOM 1356 N ARG A 92 13.223 -3.574 7.189 1.00 0.00 N ATOM 1357 CA ARG A 92 13.661 -4.879 7.678 1.00 0.00 C ATOM 1358 C ARG A 92 15.164 -4.921 7.916 1.00 0.00 C ATOM 1359 O ARG A 92 15.890 -3.985 7.582 1.00 0.00 O ATOM 1360 CB ARG A 92 13.272 -5.974 6.682 1.00 0.00 C ATOM 1361 CG ARG A 92 11.783 -6.262 6.663 1.00 0.00 C ATOM 1362 CD ARG A 92 11.497 -7.746 6.826 1.00 0.00 C ATOM 1363 NE ARG A 92 12.396 -8.572 6.022 1.00 0.00 N ATOM 1364 CZ ARG A 92 12.198 -8.842 4.736 1.00 0.00 C ATOM 1365 NH1 ARG A 92 11.140 -8.351 4.104 1.00 0.00 N ATOM 1366 NH2 ARG A 92 13.062 -9.605 4.079 1.00 0.00 N ATOM 0 H ARG A 92 12.561 -3.622 6.415 1.00 0.00 H new ATOM 0 HA ARG A 92 13.163 -5.052 8.632 1.00 0.00 H new ATOM 0 HB2 ARG A 92 13.591 -5.677 5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 92 13.810 -6.889 6.930 1.00 0.00 H new ATOM 0 HG2 ARG A 92 11.294 -5.707 7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 92 11.356 -5.910 5.724 1.00 0.00 H new ATOM 0 HD2 ARG A 92 11.596 -8.020 7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.465 -7.949 6.539 1.00 0.00 H new ATOM 0 HE ARG A 92 13.222 -8.963 6.474 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.474 -7.763 4.605 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.993 -8.561 3.117 1.00 0.00 H new ATOM 0 HH21 ARG A 92 13.877 -9.984 4.561 1.00 0.00 H new ATOM 0 HH22 ARG A 92 12.911 -9.813 3.092 1.00 0.00 H new ATOM 1499 N LEU A 103 8.231 -7.498 8.759 1.00 0.00 N ATOM 1500 CA LEU A 103 7.839 -6.468 7.812 1.00 0.00 C ATOM 1501 C LEU A 103 7.843 -5.081 8.449 1.00 0.00 C ATOM 1502 O LEU A 103 6.794 -4.524 8.763 1.00 0.00 O ATOM 1503 CB LEU A 103 6.449 -6.778 7.247 1.00 0.00 C ATOM 1504 CG LEU A 103 6.371 -6.911 5.725 1.00 0.00 C ATOM 1505 CD1 LEU A 103 4.923 -7.096 5.295 1.00 0.00 C ATOM 1506 CD2 LEU A 103 6.979 -5.695 5.040 1.00 0.00 C ATOM 0 HA LEU A 103 8.571 -6.465 7.004 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.093 -7.706 7.694 1.00 0.00 H new ATOM 0 HB3 LEU A 103 5.764 -5.990 7.561 1.00 0.00 H new ATOM 0 HG LEU A 103 6.946 -7.787 5.424 1.00 0.00 H new ATOM 0 HD11 LEU A 103 4.875 -7.190 4.210 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.519 -7.997 5.756 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.337 -6.233 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.911 -5.815 3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.436 -4.799 5.341 1.00 0.00 H new ATOM 0 HD23 LEU A 103 8.026 -5.600 5.329 1.00 0.00 H new ATOM 1518 N TRP A 104 9.029 -4.519 8.612 1.00 0.00 N ATOM 1519 CA TRP A 104 9.171 -3.169 9.134 1.00 0.00 C ATOM 1520 C TRP A 104 9.391 -2.213 7.974 1.00 0.00 C ATOM 1521 O TRP A 104 10.318 -2.393 7.188 1.00 0.00 O ATOM 1522 CB TRP A 104 10.332 -3.094 10.121 1.00 0.00 C ATOM 1523 CG TRP A 104 9.899 -3.030 11.555 1.00 0.00 C ATOM 1524 CD1 TRP A 104 9.224 -2.012 12.172 1.00 0.00 C ATOM 1525 CD2 TRP A 104 10.110 -4.033 12.554 1.00 0.00 C ATOM 1526 NE1 TRP A 104 9.010 -2.323 13.493 1.00 0.00 N ATOM 1527 CE2 TRP A 104 9.543 -3.559 13.751 1.00 0.00 C ATOM 1528 CE3 TRP A 104 10.725 -5.289 12.551 1.00 0.00 C ATOM 1529 CZ2 TRP A 104 9.572 -4.295 14.933 1.00 0.00 C ATOM 1530 CZ3 TRP A 104 10.755 -6.018 13.724 1.00 0.00 C ATOM 1531 CH2 TRP A 104 10.180 -5.520 14.901 1.00 0.00 C ATOM 0 H TRP A 104 9.912 -4.979 8.389 1.00 0.00 H new ATOM 0 HA TRP A 104 8.263 -2.888 9.668 1.00 0.00 H new ATOM 0 HB2 TRP A 104 10.972 -3.965 9.982 1.00 0.00 H new ATOM 0 HB3 TRP A 104 10.935 -2.215 9.893 1.00 0.00 H new ATOM 0 HD1 TRP A 104 8.906 -1.099 11.691 1.00 0.00 H new ATOM 0 HE1 TRP A 104 8.532 -1.730 14.172 1.00 0.00 H new ATOM 0 HE3 TRP A 104 11.168 -5.682 11.648 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 9.131 -3.913 15.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 11.230 -6.988 13.734 1.00 0.00 H new ATOM 0 HH2 TRP A 104 10.218 -6.116 15.801 1.00 0.00 H new ATOM 1542 N LEU A 105 8.500 -1.240 7.820 1.00 0.00 N ATOM 1543 CA LEU A 105 8.579 -0.336 6.685 1.00 0.00 C ATOM 1544 C LEU A 105 9.039 1.063 7.062 1.00 0.00 C ATOM 1545 O LEU A 105 8.943 1.492 8.210 1.00 0.00 O ATOM 1546 CB LEU A 105 7.231 -0.222 5.990 1.00 0.00 C ATOM 1547 CG LEU A 105 6.929 -1.288 4.936 1.00 0.00 C ATOM 1548 CD1 LEU A 105 5.689 -0.915 4.173 1.00 0.00 C ATOM 1549 CD2 LEU A 105 8.085 -1.502 3.975 1.00 0.00 C ATOM 0 H LEU A 105 7.725 -1.060 8.459 1.00 0.00 H new ATOM 0 HA LEU A 105 9.323 -0.771 6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 105 6.449 -0.257 6.749 1.00 0.00 H new ATOM 0 HB3 LEU A 105 7.171 0.757 5.515 1.00 0.00 H new ATOM 0 HG LEU A 105 6.773 -2.229 5.464 1.00 0.00 H new ATOM 0 HD11 LEU A 105 5.479 -1.678 3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 105 4.847 -0.841 4.861 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.840 0.045 3.680 1.00 0.00 H new ATOM 0 HD21 LEU A 105 7.817 -2.269 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 105 8.303 -0.569 3.455 1.00 0.00 H new ATOM 0 HD23 LEU A 105 8.966 -1.822 4.531 1.00 0.00 H new ATOM 1561 N GLY A 106 9.491 1.774 6.042 1.00 0.00 N ATOM 1562 CA GLY A 106 9.870 3.163 6.168 1.00 0.00 C ATOM 1563 C GLY A 106 9.206 3.975 5.073 1.00 0.00 C ATOM 1564 O GLY A 106 9.425 3.718 3.889 1.00 0.00 O ATOM 0 H GLY A 106 9.604 1.398 5.101 1.00 0.00 H new ATOM 0 HA2 GLY A 106 9.575 3.543 7.146 1.00 0.00 H new ATOM 0 HA3 GLY A 106 10.953 3.262 6.101 1.00 0.00 H new ATOM 1568 N ARG A 107 8.351 4.914 5.455 1.00 0.00 N ATOM 1569 CA ARG A 107 7.576 5.674 4.482 1.00 0.00 C ATOM 1570 C ARG A 107 8.201 7.030 4.175 1.00 0.00 C ATOM 1571 O ARG A 107 8.964 7.580 4.969 1.00 0.00 O ATOM 1572 CB ARG A 107 6.153 5.888 4.998 1.00 0.00 C ATOM 1573 CG ARG A 107 5.255 4.681 4.806 1.00 0.00 C ATOM 1574 CD ARG A 107 4.098 4.994 3.860 1.00 0.00 C ATOM 1575 NE ARG A 107 2.867 5.284 4.588 1.00 0.00 N ATOM 1576 CZ ARG A 107 1.727 5.631 4.000 1.00 0.00 C ATOM 1577 NH1 ARG A 107 1.664 5.731 2.679 1.00 0.00 N ATOM 1578 NH2 ARG A 107 0.651 5.880 4.733 1.00 0.00 N ATOM 0 H ARG A 107 8.176 5.168 6.427 1.00 0.00 H new ATOM 0 HA ARG A 107 7.564 5.091 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 107 6.193 6.137 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 107 5.713 6.744 4.486 1.00 0.00 H new ATOM 0 HG2 ARG A 107 5.838 3.851 4.408 1.00 0.00 H new ATOM 0 HG3 ARG A 107 4.862 4.361 5.771 1.00 0.00 H new ATOM 0 HD2 ARG A 107 4.360 5.847 3.235 1.00 0.00 H new ATOM 0 HD3 ARG A 107 3.935 4.148 3.192 1.00 0.00 H new ATOM 0 HE ARG A 107 2.882 5.217 5.606 1.00 0.00 H new ATOM 0 HH11 ARG A 107 2.491 5.541 2.113 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.788 5.997 2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 107 0.698 5.805 5.749 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.224 6.146 4.281 1.00 0.00 H new ATOM 1592 N GLY A 108 7.860 7.548 3.004 1.00 0.00 N ATOM 1593 CA GLY A 108 8.332 8.849 2.573 1.00 0.00 C ATOM 1594 C GLY A 108 7.293 9.551 1.720 1.00 0.00 C ATOM 1595 O GLY A 108 7.623 10.182 0.715 1.00 0.00 O ATOM 0 H GLY A 108 7.252 7.079 2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 108 8.566 9.461 3.444 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.256 8.735 2.006 1.00 0.00 H new