USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 485 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 46 TYR OH : rot -8:sc= 0.0927 USER MOD Set 1.2: A 70 THR OG1 : rot 71:sc= 0.125 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl -169:sc= 0 (180deg=-0.162) USER MOD Single : A 51 LYS NZ :NH3+ 179:sc= -0.868 (180deg=-0.905) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 150:sc= -0.0648 USER MOD Single : A 78 SER OG : rot 180:sc= -0.501 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 83 SER OG : rot 180:sc= -0.366 USER MOD Single : A 84 SER OG : rot 83:sc= 0.0137 USER MOD Single : A 94 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.0842) USER MOD ----------------------------------------------------------------- ATOM 368 N PHE A 27 3.952 -0.575 -1.288 1.00 0.00 N ATOM 369 CA PHE A 27 3.029 0.231 -2.078 1.00 0.00 C ATOM 370 C PHE A 27 3.073 1.692 -1.642 1.00 0.00 C ATOM 371 O PHE A 27 2.931 2.003 -0.460 1.00 0.00 O ATOM 372 CB PHE A 27 1.604 -0.310 -1.946 1.00 0.00 C ATOM 373 CG PHE A 27 0.585 0.491 -2.706 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.674 0.621 -4.082 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.461 1.113 -2.044 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.261 1.358 -4.784 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.399 1.851 -2.740 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.300 1.972 -4.112 1.00 0.00 C ATOM 0 HA PHE A 27 3.337 0.172 -3.122 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.581 -1.341 -2.300 1.00 0.00 H new ATOM 0 HB3 PHE A 27 1.327 -0.328 -0.892 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.483 0.141 -4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.544 1.020 -0.971 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.179 1.454 -5.857 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.209 2.333 -2.212 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.034 2.546 -4.659 1.00 0.00 H new ATOM 388 N ASP A 28 3.270 2.585 -2.606 1.00 0.00 N ATOM 389 CA ASP A 28 3.332 4.014 -2.324 1.00 0.00 C ATOM 390 C ASP A 28 2.062 4.717 -2.792 1.00 0.00 C ATOM 391 O ASP A 28 1.507 5.556 -2.083 1.00 0.00 O ATOM 392 CB ASP A 28 4.554 4.637 -3.002 1.00 0.00 C ATOM 393 CG ASP A 28 5.849 3.965 -2.592 1.00 0.00 C ATOM 394 OD1 ASP A 28 6.342 4.256 -1.482 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.371 3.149 -3.380 1.00 0.00 O ATOM 0 H ASP A 28 3.389 2.344 -3.590 1.00 0.00 H new ATOM 0 HA ASP A 28 3.420 4.142 -1.245 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.440 4.569 -4.084 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.603 5.697 -2.753 1.00 0.00 H new ATOM 400 N GLY A 29 1.606 4.368 -3.991 1.00 0.00 N ATOM 401 CA GLY A 29 0.405 4.975 -4.534 1.00 0.00 C ATOM 402 C GLY A 29 -0.628 5.274 -3.465 1.00 0.00 C ATOM 403 O GLY A 29 -1.370 4.387 -3.043 1.00 0.00 O ATOM 0 H GLY A 29 2.047 3.675 -4.596 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.669 5.899 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -0.030 4.309 -5.279 1.00 0.00 H new ATOM 407 N VAL A 30 -0.675 6.526 -3.023 1.00 0.00 N ATOM 408 CA VAL A 30 -1.623 6.940 -1.996 1.00 0.00 C ATOM 409 C VAL A 30 -3.032 6.456 -2.322 1.00 0.00 C ATOM 410 O VAL A 30 -3.445 6.452 -3.482 1.00 0.00 O ATOM 411 CB VAL A 30 -1.643 8.471 -1.833 1.00 0.00 C ATOM 412 CG1 VAL A 30 -1.800 9.150 -3.185 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.754 8.892 -0.883 1.00 0.00 C ATOM 0 H VAL A 30 -0.067 7.272 -3.360 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.293 6.488 -1.061 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.692 8.785 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.812 10.232 -3.050 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.966 8.874 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.735 8.832 -3.646 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.753 9.977 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.715 8.566 -1.280 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.591 8.435 0.093 1.00 0.00 H new ATOM 423 N VAL A 31 -3.766 6.050 -1.291 1.00 0.00 N ATOM 424 CA VAL A 31 -5.130 5.566 -1.468 1.00 0.00 C ATOM 425 C VAL A 31 -6.076 6.707 -1.827 1.00 0.00 C ATOM 426 O VAL A 31 -5.802 7.871 -1.535 1.00 0.00 O ATOM 427 CB VAL A 31 -5.646 4.867 -0.196 1.00 0.00 C ATOM 428 CG1 VAL A 31 -6.966 4.162 -0.472 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.609 3.886 0.330 1.00 0.00 C ATOM 0 H VAL A 31 -3.439 6.047 -0.325 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.107 4.846 -2.286 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.819 5.624 0.569 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.315 3.674 0.438 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.707 4.892 -0.799 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.823 3.415 -1.253 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.990 3.401 1.229 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.403 3.132 -0.430 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.690 4.421 0.568 1.00 0.00 H new ATOM 439 N LYS A 32 -7.192 6.365 -2.462 1.00 0.00 N ATOM 440 CA LYS A 32 -8.181 7.359 -2.860 1.00 0.00 C ATOM 441 C LYS A 32 -9.392 7.324 -1.933 1.00 0.00 C ATOM 442 O LYS A 32 -9.877 8.365 -1.490 1.00 0.00 O ATOM 443 CB LYS A 32 -8.625 7.116 -4.305 1.00 0.00 C ATOM 444 CG LYS A 32 -7.476 7.095 -5.298 1.00 0.00 C ATOM 445 CD LYS A 32 -7.188 8.482 -5.848 1.00 0.00 C ATOM 446 CE LYS A 32 -6.209 9.240 -4.964 1.00 0.00 C ATOM 447 NZ LYS A 32 -5.653 10.437 -5.652 1.00 0.00 N ATOM 0 H LYS A 32 -7.434 5.406 -2.712 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.719 8.344 -2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.158 6.166 -4.358 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.331 7.894 -4.595 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.582 6.702 -4.813 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.716 6.420 -6.119 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.780 8.398 -6.855 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.119 9.044 -5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -6.711 9.549 -4.047 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.394 8.577 -4.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.991 10.926 -5.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -5.152 10.141 -6.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.428 11.082 -5.907 1.00 0.00 H new ATOM 461 N ASP A 33 -9.874 6.120 -1.642 1.00 0.00 N ATOM 462 CA ASP A 33 -11.026 5.949 -0.765 1.00 0.00 C ATOM 463 C ASP A 33 -10.976 4.598 -0.059 1.00 0.00 C ATOM 464 O ASP A 33 -10.340 3.660 -0.537 1.00 0.00 O ATOM 465 CB ASP A 33 -12.325 6.073 -1.564 1.00 0.00 C ATOM 466 CG ASP A 33 -12.309 5.236 -2.828 1.00 0.00 C ATOM 467 OD1 ASP A 33 -11.460 4.325 -2.926 1.00 0.00 O ATOM 468 OD2 ASP A 33 -13.147 5.490 -3.718 1.00 0.00 O ATOM 0 H ASP A 33 -9.484 5.248 -2.001 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.996 6.735 -0.010 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.163 5.766 -0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.489 7.118 -1.826 1.00 0.00 H new ATOM 473 N ALA A 34 -11.651 4.508 1.083 1.00 0.00 N ATOM 474 CA ALA A 34 -11.684 3.272 1.855 1.00 0.00 C ATOM 475 C ALA A 34 -11.776 2.055 0.940 1.00 0.00 C ATOM 476 O ALA A 34 -11.024 1.093 1.094 1.00 0.00 O ATOM 477 CB ALA A 34 -12.851 3.290 2.830 1.00 0.00 C ATOM 0 H ALA A 34 -12.182 5.276 1.493 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.754 3.200 2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.863 2.361 3.400 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.742 4.133 3.513 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.785 3.389 2.277 1.00 0.00 H new ATOM 483 N GLU A 35 -12.702 2.106 -0.013 1.00 0.00 N ATOM 484 CA GLU A 35 -12.892 1.006 -0.951 1.00 0.00 C ATOM 485 C GLU A 35 -11.581 0.653 -1.648 1.00 0.00 C ATOM 486 O GLU A 35 -11.180 -0.510 -1.685 1.00 0.00 O ATOM 487 CB GLU A 35 -13.952 1.372 -1.992 1.00 0.00 C ATOM 488 CG GLU A 35 -15.307 1.705 -1.389 1.00 0.00 C ATOM 489 CD GLU A 35 -16.427 1.662 -2.411 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.653 2.689 -3.085 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.076 0.603 -2.536 1.00 0.00 O ATOM 0 H GLU A 35 -13.331 2.896 -0.155 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.230 0.136 -0.388 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.601 2.227 -2.571 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.068 0.541 -2.688 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.526 1.001 -0.586 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -15.267 2.698 -0.941 1.00 0.00 H new ATOM 498 N GLU A 36 -10.919 1.665 -2.199 1.00 0.00 N ATOM 499 CA GLU A 36 -9.654 1.461 -2.896 1.00 0.00 C ATOM 500 C GLU A 36 -8.609 0.859 -1.961 1.00 0.00 C ATOM 501 O GLU A 36 -7.770 0.063 -2.381 1.00 0.00 O ATOM 502 CB GLU A 36 -9.142 2.784 -3.468 1.00 0.00 C ATOM 503 CG GLU A 36 -7.762 2.682 -4.097 1.00 0.00 C ATOM 504 CD GLU A 36 -7.816 2.291 -5.561 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.659 1.441 -5.918 1.00 0.00 O ATOM 506 OE2 GLU A 36 -7.015 2.835 -6.349 1.00 0.00 O ATOM 0 H GLU A 36 -11.237 2.634 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 36 -9.828 0.763 -3.715 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.848 3.144 -4.217 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.115 3.528 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.250 3.640 -3.999 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -7.171 1.947 -3.550 1.00 0.00 H new ATOM 513 N ALA A 37 -8.667 1.247 -0.691 1.00 0.00 N ATOM 514 CA ALA A 37 -7.727 0.746 0.304 1.00 0.00 C ATOM 515 C ALA A 37 -7.884 -0.758 0.500 1.00 0.00 C ATOM 516 O ALA A 37 -6.908 -1.469 0.739 1.00 0.00 O ATOM 517 CB ALA A 37 -7.919 1.475 1.626 1.00 0.00 C ATOM 0 H ALA A 37 -9.355 1.906 -0.327 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.717 0.935 -0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.210 1.091 2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.749 2.542 1.481 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.936 1.315 1.985 1.00 0.00 H new ATOM 523 N VAL A 38 -9.120 -1.238 0.397 1.00 0.00 N ATOM 524 CA VAL A 38 -9.405 -2.658 0.562 1.00 0.00 C ATOM 525 C VAL A 38 -8.827 -3.472 -0.590 1.00 0.00 C ATOM 526 O VAL A 38 -8.188 -4.502 -0.376 1.00 0.00 O ATOM 527 CB VAL A 38 -10.921 -2.919 0.652 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.199 -4.410 0.770 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.523 -2.161 1.825 1.00 0.00 C ATOM 0 H VAL A 38 -9.940 -0.664 0.200 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.934 -2.970 1.494 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.390 -2.557 -0.263 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.275 -4.576 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -10.803 -4.924 -0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.719 -4.800 1.668 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.594 -2.357 1.874 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.052 -2.490 2.751 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.355 -1.092 1.692 1.00 0.00 H new ATOM 539 N ARG A 39 -9.056 -3.003 -1.812 1.00 0.00 N ATOM 540 CA ARG A 39 -8.559 -3.688 -2.999 1.00 0.00 C ATOM 541 C ARG A 39 -7.040 -3.820 -2.954 1.00 0.00 C ATOM 542 O ARG A 39 -6.500 -4.924 -3.034 1.00 0.00 O ATOM 543 CB ARG A 39 -8.979 -2.934 -4.263 1.00 0.00 C ATOM 544 CG ARG A 39 -10.405 -3.225 -4.700 1.00 0.00 C ATOM 545 CD ARG A 39 -10.628 -2.852 -6.158 1.00 0.00 C ATOM 546 NE ARG A 39 -11.759 -3.571 -6.739 1.00 0.00 N ATOM 547 CZ ARG A 39 -12.270 -3.292 -7.933 1.00 0.00 C ATOM 548 NH1 ARG A 39 -11.754 -2.317 -8.668 1.00 0.00 N ATOM 549 NH2 ARG A 39 -13.300 -3.991 -8.394 1.00 0.00 N ATOM 0 H ARG A 39 -9.583 -2.151 -2.006 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.993 -4.688 -3.019 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.873 -1.863 -4.089 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.299 -3.195 -5.074 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.622 -4.284 -4.557 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.100 -2.669 -4.071 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -10.802 -1.779 -6.235 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -9.726 -3.071 -6.730 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.179 -4.328 -6.199 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -10.962 -1.778 -8.317 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.149 -2.105 -9.584 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.699 -4.742 -7.831 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -13.692 -3.777 -9.311 1.00 0.00 H new ATOM 563 N ILE A 40 -6.356 -2.688 -2.826 1.00 0.00 N ATOM 564 CA ILE A 40 -4.900 -2.678 -2.770 1.00 0.00 C ATOM 565 C ILE A 40 -4.383 -3.668 -1.732 1.00 0.00 C ATOM 566 O ILE A 40 -3.538 -4.512 -2.032 1.00 0.00 O ATOM 567 CB ILE A 40 -4.359 -1.275 -2.438 1.00 0.00 C ATOM 568 CG1 ILE A 40 -4.804 -0.268 -3.500 1.00 0.00 C ATOM 569 CG2 ILE A 40 -2.841 -1.303 -2.331 1.00 0.00 C ATOM 570 CD1 ILE A 40 -4.880 1.155 -2.991 1.00 0.00 C ATOM 0 H ILE A 40 -6.787 -1.766 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 40 -4.544 -2.971 -3.758 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.766 -0.964 -1.476 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.111 -0.308 -4.340 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -5.782 -0.562 -3.880 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.474 -0.304 -2.096 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.545 -1.993 -1.541 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.415 -1.632 -3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.202 1.813 -3.798 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.595 1.210 -2.170 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.898 1.468 -2.638 1.00 0.00 H new ATOM 582 N ALA A 41 -4.897 -3.561 -0.512 1.00 0.00 N ATOM 583 CA ALA A 41 -4.490 -4.449 0.570 1.00 0.00 C ATOM 584 C ALA A 41 -4.512 -5.907 0.120 1.00 0.00 C ATOM 585 O ALA A 41 -3.496 -6.599 0.177 1.00 0.00 O ATOM 586 CB ALA A 41 -5.392 -4.255 1.780 1.00 0.00 C ATOM 0 H ALA A 41 -5.597 -2.868 -0.248 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.467 -4.197 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.076 -4.925 2.580 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.324 -3.223 2.123 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.423 -4.479 1.505 1.00 0.00 H new ATOM 592 N ARG A 42 -5.677 -6.366 -0.325 1.00 0.00 N ATOM 593 CA ARG A 42 -5.831 -7.742 -0.782 1.00 0.00 C ATOM 594 C ARG A 42 -4.678 -8.143 -1.697 1.00 0.00 C ATOM 595 O ARG A 42 -4.093 -9.214 -1.540 1.00 0.00 O ATOM 596 CB ARG A 42 -7.162 -7.911 -1.518 1.00 0.00 C ATOM 597 CG ARG A 42 -8.378 -7.746 -0.621 1.00 0.00 C ATOM 598 CD ARG A 42 -9.613 -7.362 -1.422 1.00 0.00 C ATOM 599 NE ARG A 42 -10.251 -8.524 -2.034 1.00 0.00 N ATOM 600 CZ ARG A 42 -11.024 -8.456 -3.113 1.00 0.00 C ATOM 601 NH1 ARG A 42 -11.251 -7.287 -3.696 1.00 0.00 N ATOM 602 NH2 ARG A 42 -11.570 -9.558 -3.610 1.00 0.00 N ATOM 0 H ARG A 42 -6.528 -5.806 -0.379 1.00 0.00 H new ATOM 0 HA ARG A 42 -5.821 -8.392 0.093 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.216 -7.182 -2.327 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.191 -8.899 -1.977 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.565 -8.677 -0.085 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.177 -6.981 0.129 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -10.326 -6.859 -0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.334 -6.650 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.095 -9.438 -1.610 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -10.832 -6.438 -3.316 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -11.845 -7.237 -4.524 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.397 -10.459 -3.164 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.163 -9.505 -4.438 1.00 0.00 H new ATOM 616 N GLU A 43 -4.358 -7.276 -2.653 1.00 0.00 N ATOM 617 CA GLU A 43 -3.275 -7.542 -3.593 1.00 0.00 C ATOM 618 C GLU A 43 -1.967 -7.808 -2.855 1.00 0.00 C ATOM 619 O GLU A 43 -1.227 -8.733 -3.195 1.00 0.00 O ATOM 620 CB GLU A 43 -3.102 -6.362 -4.552 1.00 0.00 C ATOM 621 CG GLU A 43 -3.969 -6.456 -5.796 1.00 0.00 C ATOM 622 CD GLU A 43 -3.438 -7.457 -6.804 1.00 0.00 C ATOM 623 OE1 GLU A 43 -2.489 -7.112 -7.539 1.00 0.00 O ATOM 624 OE2 GLU A 43 -3.971 -8.585 -6.856 1.00 0.00 O ATOM 0 H GLU A 43 -4.833 -6.385 -2.797 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.536 -8.432 -4.166 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.338 -5.438 -4.024 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.056 -6.299 -4.852 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.982 -6.739 -5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.033 -5.474 -6.264 1.00 0.00 H new ATOM 631 N ILE A 44 -1.687 -6.992 -1.845 1.00 0.00 N ATOM 632 CA ILE A 44 -0.469 -7.140 -1.058 1.00 0.00 C ATOM 633 C ILE A 44 -0.503 -8.416 -0.225 1.00 0.00 C ATOM 634 O ILE A 44 0.499 -9.120 -0.106 1.00 0.00 O ATOM 635 CB ILE A 44 -0.253 -5.935 -0.123 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.188 -4.638 -0.932 1.00 0.00 C ATOM 637 CG2 ILE A 44 1.016 -6.121 0.695 1.00 0.00 C ATOM 638 CD1 ILE A 44 0.079 -3.412 -0.088 1.00 0.00 C ATOM 0 H ILE A 44 -2.287 -6.221 -1.552 1.00 0.00 H new ATOM 0 HA ILE A 44 0.358 -7.194 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.098 -5.870 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.595 -4.728 -1.685 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.129 -4.504 -1.465 1.00 0.00 H new ATOM 0 HG21 ILE A 44 1.155 -5.262 1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.932 -7.026 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.871 -6.208 0.025 1.00 0.00 H new ATOM 0 HD11 ILE A 44 0.112 -2.530 -0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.716 -3.297 0.648 1.00 0.00 H new ATOM 0 HD13 ILE A 44 1.034 -3.524 0.425 1.00 0.00 H new ATOM 650 N GLY A 45 -1.666 -8.711 0.349 1.00 0.00 N ATOM 651 CA GLY A 45 -1.811 -9.904 1.162 1.00 0.00 C ATOM 652 C GLY A 45 -1.829 -9.595 2.646 1.00 0.00 C ATOM 653 O GLY A 45 -0.797 -9.267 3.232 1.00 0.00 O ATOM 0 H GLY A 45 -2.510 -8.145 0.265 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.734 -10.416 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.991 -10.589 0.946 1.00 0.00 H new ATOM 657 N TYR A 46 -3.005 -9.698 3.256 1.00 0.00 N ATOM 658 CA TYR A 46 -3.154 -9.424 4.680 1.00 0.00 C ATOM 659 C TYR A 46 -2.245 -10.327 5.507 1.00 0.00 C ATOM 660 O TYR A 46 -1.894 -11.436 5.104 1.00 0.00 O ATOM 661 CB TYR A 46 -4.610 -9.617 5.108 1.00 0.00 C ATOM 662 CG TYR A 46 -5.566 -8.641 4.461 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.690 -7.341 4.937 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.346 -9.018 3.375 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.563 -6.446 4.350 1.00 0.00 C ATOM 666 CE2 TYR A 46 -7.221 -8.129 2.781 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.326 -6.845 3.272 1.00 0.00 C ATOM 668 OH TYR A 46 -8.197 -5.956 2.683 1.00 0.00 O ATOM 0 H TYR A 46 -3.869 -9.969 2.786 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.864 -8.388 4.857 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.920 -10.633 4.863 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.678 -9.515 6.191 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -5.094 -7.025 5.780 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.267 -10.023 2.988 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.648 -5.440 4.733 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.819 -8.438 1.937 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.248 -5.141 3.224 1.00 0.00 H new ATOM 678 N PRO A 47 -1.853 -9.842 6.695 1.00 0.00 N ATOM 679 CA PRO A 47 -2.263 -8.523 7.185 1.00 0.00 C ATOM 680 C PRO A 47 -1.620 -7.386 6.399 1.00 0.00 C ATOM 681 O PRO A 47 -0.589 -7.570 5.752 1.00 0.00 O ATOM 682 CB PRO A 47 -1.771 -8.515 8.635 1.00 0.00 C ATOM 683 CG PRO A 47 -0.636 -9.479 8.655 1.00 0.00 C ATOM 684 CD PRO A 47 -0.978 -10.543 7.650 1.00 0.00 C ATOM 0 HA PRO A 47 -3.337 -8.367 7.083 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.450 -7.519 8.939 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.560 -8.819 9.323 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.300 -8.985 8.396 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.506 -9.908 9.649 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -0.086 -10.937 7.163 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.486 -11.387 8.116 1.00 0.00 H new ATOM 692 N VAL A 48 -2.236 -6.209 6.458 1.00 0.00 N ATOM 693 CA VAL A 48 -1.722 -5.041 5.752 1.00 0.00 C ATOM 694 C VAL A 48 -1.682 -3.821 6.665 1.00 0.00 C ATOM 695 O VAL A 48 -2.686 -3.459 7.278 1.00 0.00 O ATOM 696 CB VAL A 48 -2.576 -4.714 4.513 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.481 -5.834 3.488 1.00 0.00 C ATOM 698 CG2 VAL A 48 -4.023 -4.467 4.913 1.00 0.00 C ATOM 0 H VAL A 48 -3.091 -6.039 6.987 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.709 -5.285 5.432 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.189 -3.803 4.057 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.091 -5.585 2.620 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.443 -5.957 3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.841 -6.763 3.930 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.612 -4.237 4.025 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.425 -5.359 5.394 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.070 -3.628 5.607 1.00 0.00 H new ATOM 708 N MET A 49 -0.516 -3.190 6.750 1.00 0.00 N ATOM 709 CA MET A 49 -0.346 -2.008 7.587 1.00 0.00 C ATOM 710 C MET A 49 -0.698 -0.740 6.816 1.00 0.00 C ATOM 711 O MET A 49 -0.372 -0.610 5.635 1.00 0.00 O ATOM 712 CB MET A 49 1.092 -1.923 8.102 1.00 0.00 C ATOM 713 CG MET A 49 1.370 -0.678 8.928 1.00 0.00 C ATOM 714 SD MET A 49 3.122 -0.255 8.979 1.00 0.00 S ATOM 715 CE MET A 49 3.821 -1.779 9.607 1.00 0.00 C ATOM 0 H MET A 49 0.325 -3.477 6.250 1.00 0.00 H new ATOM 0 HA MET A 49 -1.024 -2.095 8.436 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.305 -2.805 8.706 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.775 -1.945 7.253 1.00 0.00 H new ATOM 0 HG2 MET A 49 0.810 0.160 8.514 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.008 -0.833 9.944 1.00 0.00 H new ATOM 0 HE1 MET A 49 4.864 -1.616 9.879 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.263 -2.100 10.486 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.763 -2.550 8.839 1.00 0.00 H new ATOM 725 N ILE A 50 -1.364 0.192 7.489 1.00 0.00 N ATOM 726 CA ILE A 50 -1.759 1.449 6.866 1.00 0.00 C ATOM 727 C ILE A 50 -1.160 2.641 7.606 1.00 0.00 C ATOM 728 O ILE A 50 -1.199 2.707 8.835 1.00 0.00 O ATOM 729 CB ILE A 50 -3.291 1.601 6.826 1.00 0.00 C ATOM 730 CG1 ILE A 50 -3.912 0.498 5.966 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.673 2.974 6.294 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.347 0.186 6.328 1.00 0.00 C ATOM 0 H ILE A 50 -1.641 0.100 8.466 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.378 1.429 5.845 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.678 1.506 7.841 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.867 0.796 4.919 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.315 -0.409 6.066 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -4.759 3.066 6.272 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.257 3.744 6.943 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.278 3.096 5.286 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.723 -0.604 5.678 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.397 -0.143 7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -5.957 1.080 6.201 1.00 0.00 H new ATOM 744 N LYS A 51 -0.607 3.582 6.849 1.00 0.00 N ATOM 745 CA LYS A 51 -0.002 4.775 7.431 1.00 0.00 C ATOM 746 C LYS A 51 -0.459 6.031 6.696 1.00 0.00 C ATOM 747 O LYS A 51 -0.843 5.972 5.528 1.00 0.00 O ATOM 748 CB LYS A 51 1.524 4.672 7.385 1.00 0.00 C ATOM 749 CG LYS A 51 2.050 3.283 7.707 1.00 0.00 C ATOM 750 CD LYS A 51 3.346 2.993 6.969 1.00 0.00 C ATOM 751 CE LYS A 51 3.102 2.752 5.487 1.00 0.00 C ATOM 752 NZ LYS A 51 4.374 2.730 4.712 1.00 0.00 N ATOM 0 H LYS A 51 -0.565 3.542 5.831 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.325 4.845 8.470 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.870 4.961 6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.949 5.385 8.091 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.214 3.195 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.302 2.538 7.437 1.00 0.00 H new ATOM 0 HD2 LYS A 51 4.032 3.830 7.094 1.00 0.00 H new ATOM 0 HD3 LYS A 51 3.827 2.118 7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 51 2.579 1.805 5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 51 2.451 3.533 5.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.167 2.546 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.853 3.649 4.804 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.992 1.979 5.081 1.00 0.00 H new ATOM 766 N ALA A 52 -0.415 7.165 7.387 1.00 0.00 N ATOM 767 CA ALA A 52 -0.821 8.435 6.798 1.00 0.00 C ATOM 768 C ALA A 52 0.275 8.999 5.900 1.00 0.00 C ATOM 769 O ALA A 52 1.328 9.418 6.379 1.00 0.00 O ATOM 770 CB ALA A 52 -1.178 9.433 7.890 1.00 0.00 C ATOM 0 H ALA A 52 -0.102 7.230 8.356 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.702 8.257 6.182 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.479 10.377 7.436 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -2.000 9.039 8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.311 9.598 8.529 1.00 0.00 H new ATOM 776 N SER A 53 0.019 9.007 4.596 1.00 0.00 N ATOM 777 CA SER A 53 0.987 9.516 3.631 1.00 0.00 C ATOM 778 C SER A 53 1.568 10.848 4.095 1.00 0.00 C ATOM 779 O SER A 53 2.751 11.122 3.901 1.00 0.00 O ATOM 780 CB SER A 53 0.330 9.683 2.259 1.00 0.00 C ATOM 781 OG SER A 53 1.279 9.533 1.218 1.00 0.00 O ATOM 0 H SER A 53 -0.850 8.667 4.183 1.00 0.00 H new ATOM 0 HA SER A 53 1.799 8.794 3.552 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.464 8.946 2.140 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.135 10.666 2.192 1.00 0.00 H new ATOM 0 HG SER A 53 0.834 9.642 0.352 1.00 0.00 H new ATOM 787 N ALA A 54 0.725 11.672 4.709 1.00 0.00 N ATOM 788 CA ALA A 54 1.154 12.975 5.202 1.00 0.00 C ATOM 789 C ALA A 54 2.221 12.828 6.281 1.00 0.00 C ATOM 790 O ALA A 54 3.123 13.657 6.392 1.00 0.00 O ATOM 791 CB ALA A 54 -0.038 13.754 5.738 1.00 0.00 C ATOM 0 H ALA A 54 -0.259 11.460 4.877 1.00 0.00 H new ATOM 0 HA ALA A 54 1.590 13.527 4.369 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.296 14.725 6.103 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.767 13.897 4.941 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.498 13.198 6.555 1.00 0.00 H new ATOM 871 N ARG A 62 -2.384 2.418 12.362 1.00 0.00 N ATOM 872 CA ARG A 62 -3.198 1.235 12.613 1.00 0.00 C ATOM 873 C ARG A 62 -2.976 0.183 11.531 1.00 0.00 C ATOM 874 O ARG A 62 -2.573 0.504 10.413 1.00 0.00 O ATOM 875 CB ARG A 62 -4.679 1.613 12.677 1.00 0.00 C ATOM 876 CG ARG A 62 -5.532 0.607 13.432 1.00 0.00 C ATOM 877 CD ARG A 62 -7.007 0.768 13.100 1.00 0.00 C ATOM 878 NE ARG A 62 -7.796 -0.378 13.546 1.00 0.00 N ATOM 879 CZ ARG A 62 -9.108 -0.332 13.750 1.00 0.00 C ATOM 880 NH1 ARG A 62 -9.774 0.797 13.549 1.00 0.00 N ATOM 881 NH2 ARG A 62 -9.756 -1.416 14.156 1.00 0.00 N ATOM 0 HA ARG A 62 -2.896 0.814 13.572 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.776 2.589 13.153 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.064 1.714 11.662 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.210 -0.404 13.183 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.383 0.734 14.504 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.388 1.675 13.570 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.125 0.893 12.024 1.00 0.00 H new ATOM 0 HE ARG A 62 -7.313 -1.261 13.710 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -9.279 1.633 13.237 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -10.781 0.830 13.706 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.247 -2.286 14.312 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -10.763 -1.379 14.312 1.00 0.00 H new ATOM 895 N ILE A 63 -3.242 -1.074 11.872 1.00 0.00 N ATOM 896 CA ILE A 63 -3.072 -2.173 10.929 1.00 0.00 C ATOM 897 C ILE A 63 -4.388 -2.907 10.699 1.00 0.00 C ATOM 898 O ILE A 63 -5.215 -3.020 11.604 1.00 0.00 O ATOM 899 CB ILE A 63 -2.015 -3.179 11.422 1.00 0.00 C ATOM 900 CG1 ILE A 63 -0.690 -2.465 11.699 1.00 0.00 C ATOM 901 CG2 ILE A 63 -1.822 -4.288 10.399 1.00 0.00 C ATOM 902 CD1 ILE A 63 0.323 -3.330 12.415 1.00 0.00 C ATOM 0 H ILE A 63 -3.576 -1.356 12.794 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.734 -1.735 9.990 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.366 -3.626 12.352 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.264 -2.127 10.754 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.884 -1.575 12.298 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.072 -4.991 10.762 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.766 -4.811 10.247 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.489 -3.858 9.454 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.237 -2.760 12.578 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.083 -3.647 13.375 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.546 -4.207 11.808 1.00 0.00 H new ATOM 914 N ALA A 64 -4.576 -3.406 9.481 1.00 0.00 N ATOM 915 CA ALA A 64 -5.790 -4.134 9.132 1.00 0.00 C ATOM 916 C ALA A 64 -5.471 -5.566 8.718 1.00 0.00 C ATOM 917 O ALA A 64 -4.423 -5.834 8.131 1.00 0.00 O ATOM 918 CB ALA A 64 -6.535 -3.413 8.018 1.00 0.00 C ATOM 0 H ALA A 64 -3.903 -3.319 8.720 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.428 -4.173 10.015 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.439 -3.967 7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.804 -2.410 8.350 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.896 -3.344 7.138 1.00 0.00 H new ATOM 924 N TRP A 65 -6.381 -6.483 9.027 1.00 0.00 N ATOM 925 CA TRP A 65 -6.196 -7.889 8.687 1.00 0.00 C ATOM 926 C TRP A 65 -7.238 -8.345 7.672 1.00 0.00 C ATOM 927 O TRP A 65 -7.034 -9.326 6.957 1.00 0.00 O ATOM 928 CB TRP A 65 -6.278 -8.754 9.945 1.00 0.00 C ATOM 929 CG TRP A 65 -5.142 -8.530 10.896 1.00 0.00 C ATOM 930 CD1 TRP A 65 -4.946 -7.440 11.696 1.00 0.00 C ATOM 931 CD2 TRP A 65 -4.045 -9.415 11.145 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.792 -7.595 12.426 1.00 0.00 N ATOM 933 CE2 TRP A 65 -3.222 -8.799 12.108 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.679 -10.670 10.650 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -2.057 -9.395 12.582 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.522 -11.260 11.122 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.722 -10.623 12.080 1.00 0.00 C ATOM 0 H TRP A 65 -7.254 -6.278 9.512 1.00 0.00 H new ATOM 0 HA TRP A 65 -5.208 -8.002 8.241 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -7.217 -8.548 10.458 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -6.297 -9.804 9.654 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.601 -6.583 11.747 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.420 -6.922 13.096 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -4.289 -11.169 9.912 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.439 -8.905 13.320 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -2.229 -12.229 10.746 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.824 -11.111 12.429 1.00 0.00 H new ATOM 948 N ASP A 66 -8.355 -7.628 7.614 1.00 0.00 N ATOM 949 CA ASP A 66 -9.429 -7.959 6.685 1.00 0.00 C ATOM 950 C ASP A 66 -10.036 -6.695 6.083 1.00 0.00 C ATOM 951 O ASP A 66 -9.805 -5.589 6.573 1.00 0.00 O ATOM 952 CB ASP A 66 -10.513 -8.773 7.393 1.00 0.00 C ATOM 953 CG ASP A 66 -9.947 -9.968 8.134 1.00 0.00 C ATOM 954 OD1 ASP A 66 -8.980 -10.577 7.629 1.00 0.00 O ATOM 955 OD2 ASP A 66 -10.471 -10.295 9.220 1.00 0.00 O ATOM 0 H ASP A 66 -8.540 -6.814 8.200 1.00 0.00 H new ATOM 0 HA ASP A 66 -9.006 -8.557 5.878 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -11.044 -8.131 8.096 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -11.243 -9.116 6.660 1.00 0.00 H new ATOM 960 N ASP A 67 -10.812 -6.866 5.018 1.00 0.00 N ATOM 961 CA ASP A 67 -11.452 -5.740 4.350 1.00 0.00 C ATOM 962 C ASP A 67 -12.090 -4.796 5.365 1.00 0.00 C ATOM 963 O ASP A 67 -11.803 -3.600 5.379 1.00 0.00 O ATOM 964 CB ASP A 67 -12.509 -6.239 3.364 1.00 0.00 C ATOM 965 CG ASP A 67 -11.918 -7.105 2.269 1.00 0.00 C ATOM 966 OD1 ASP A 67 -10.889 -7.764 2.526 1.00 0.00 O ATOM 967 OD2 ASP A 67 -12.483 -7.123 1.156 1.00 0.00 O ATOM 0 H ASP A 67 -11.013 -7.774 4.599 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.686 -5.191 3.803 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.266 -6.808 3.904 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.014 -5.384 2.914 1.00 0.00 H new ATOM 972 N GLU A 68 -12.957 -5.344 6.211 1.00 0.00 N ATOM 973 CA GLU A 68 -13.636 -4.550 7.228 1.00 0.00 C ATOM 974 C GLU A 68 -12.638 -3.714 8.023 1.00 0.00 C ATOM 975 O GLU A 68 -12.875 -2.538 8.294 1.00 0.00 O ATOM 976 CB GLU A 68 -14.425 -5.459 8.174 1.00 0.00 C ATOM 977 CG GLU A 68 -13.549 -6.398 8.985 1.00 0.00 C ATOM 978 CD GLU A 68 -14.303 -7.618 9.479 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.390 -8.608 8.724 1.00 0.00 O ATOM 980 OE2 GLU A 68 -14.805 -7.581 10.622 1.00 0.00 O ATOM 0 H GLU A 68 -13.205 -6.333 6.212 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.327 -3.875 6.723 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -15.009 -4.841 8.856 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.133 -6.048 7.592 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.705 -6.720 8.375 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.138 -5.859 9.839 1.00 0.00 H new ATOM 987 N GLU A 69 -11.520 -4.332 8.393 1.00 0.00 N ATOM 988 CA GLU A 69 -10.486 -3.645 9.158 1.00 0.00 C ATOM 989 C GLU A 69 -9.867 -2.514 8.342 1.00 0.00 C ATOM 990 O GLU A 69 -9.630 -1.419 8.855 1.00 0.00 O ATOM 991 CB GLU A 69 -9.399 -4.632 9.589 1.00 0.00 C ATOM 992 CG GLU A 69 -9.907 -5.737 10.500 1.00 0.00 C ATOM 993 CD GLU A 69 -8.812 -6.329 11.365 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.873 -5.589 11.724 1.00 0.00 O ATOM 995 OE2 GLU A 69 -8.895 -7.534 11.684 1.00 0.00 O ATOM 0 H GLU A 69 -11.308 -5.306 8.176 1.00 0.00 H new ATOM 0 HA GLU A 69 -10.951 -3.217 10.046 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.954 -5.081 8.701 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.607 -4.086 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.696 -5.342 11.139 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.353 -6.526 9.894 1.00 0.00 H new ATOM 1002 N THR A 70 -9.606 -2.786 7.067 1.00 0.00 N ATOM 1003 CA THR A 70 -9.012 -1.793 6.180 1.00 0.00 C ATOM 1004 C THR A 70 -9.862 -0.529 6.124 1.00 0.00 C ATOM 1005 O THR A 70 -9.350 0.581 6.271 1.00 0.00 O ATOM 1006 CB THR A 70 -8.840 -2.347 4.753 1.00 0.00 C ATOM 1007 OG1 THR A 70 -8.066 -3.551 4.785 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.162 -1.324 3.854 1.00 0.00 C ATOM 0 H THR A 70 -9.797 -3.686 6.626 1.00 0.00 H new ATOM 0 HA THR A 70 -8.031 -1.550 6.588 1.00 0.00 H new ATOM 0 HB THR A 70 -9.829 -2.563 4.348 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.594 -4.269 5.193 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.051 -1.737 2.852 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.769 -0.420 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.179 -1.081 4.257 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.162 -0.704 5.910 1.00 0.00 N ATOM 1017 CA ARG A 71 -12.082 0.424 5.834 1.00 0.00 C ATOM 1018 C ARG A 71 -12.148 1.164 7.167 1.00 0.00 C ATOM 1019 O ARG A 71 -12.037 2.389 7.214 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.479 -0.056 5.436 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.525 -0.736 4.077 1.00 0.00 C ATOM 1022 CD ARG A 71 -14.836 -1.479 3.871 1.00 0.00 C ATOM 1023 NE ARG A 71 -14.765 -2.857 4.351 1.00 0.00 N ATOM 1024 CZ ARG A 71 -15.737 -3.746 4.178 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -16.848 -3.403 3.541 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -15.598 -4.980 4.644 1.00 0.00 N ATOM 0 H ARG A 71 -11.602 -1.616 5.786 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.711 1.112 5.074 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.845 -0.750 6.193 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.159 0.796 5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.400 0.009 3.291 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.692 -1.434 3.989 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.636 -0.954 4.393 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.091 -1.477 2.811 1.00 0.00 H new ATOM 0 HE ARG A 71 -13.923 -3.153 4.846 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -16.958 -2.455 3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -17.593 -4.088 3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -14.745 -5.247 5.135 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -16.344 -5.662 4.511 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.328 0.411 8.247 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.408 0.995 9.581 1.00 0.00 C ATOM 1042 C ASP A 72 -11.157 1.810 9.893 1.00 0.00 C ATOM 1043 O ASP A 72 -11.242 2.923 10.410 1.00 0.00 O ATOM 1044 CB ASP A 72 -12.592 -0.102 10.630 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.042 -0.512 10.791 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -14.842 0.313 11.281 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.378 -1.658 10.426 1.00 0.00 O ATOM 0 H ASP A 72 -12.421 -0.604 8.225 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.270 1.662 9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.000 -0.973 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.208 0.248 11.588 1.00 0.00 H new ATOM 1052 N GLY A 73 -9.995 1.247 9.575 1.00 0.00 N ATOM 1053 CA GLY A 73 -8.743 1.935 9.830 1.00 0.00 C ATOM 1054 C GLY A 73 -8.489 3.061 8.848 1.00 0.00 C ATOM 1055 O GLY A 73 -7.869 4.067 9.192 1.00 0.00 O ATOM 0 H GLY A 73 -9.899 0.327 9.145 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.753 2.336 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.922 1.220 9.778 1.00 0.00 H new ATOM 1059 N PHE A 74 -8.968 2.892 7.620 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.788 3.901 6.583 1.00 0.00 C ATOM 1061 C PHE A 74 -9.509 5.195 6.952 1.00 0.00 C ATOM 1062 O PHE A 74 -9.008 6.291 6.701 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.305 3.381 5.240 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.401 4.444 4.183 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.529 5.242 4.084 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.363 4.644 3.287 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.620 6.221 3.112 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.448 5.622 2.314 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.579 6.410 2.225 1.00 0.00 C ATOM 0 H PHE A 74 -9.484 2.065 7.319 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.722 4.111 6.497 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.645 2.588 4.888 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.289 2.935 5.386 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.347 5.098 4.774 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.478 4.029 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.504 6.837 3.047 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.631 5.770 1.624 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.649 7.172 1.463 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.689 5.058 7.548 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.481 6.214 7.950 1.00 0.00 C ATOM 1081 C ARG A 75 -10.745 7.036 9.005 1.00 0.00 C ATOM 1082 O ARG A 75 -10.618 8.255 8.880 1.00 0.00 O ATOM 1083 CB ARG A 75 -12.839 5.766 8.493 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.744 5.152 7.438 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.078 4.724 8.029 1.00 0.00 C ATOM 1086 NE ARG A 75 -15.874 5.866 8.469 1.00 0.00 N ATOM 1087 CZ ARG A 75 -15.743 6.437 9.661 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -14.852 5.975 10.527 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -16.504 7.474 9.989 1.00 0.00 N ATOM 0 H ARG A 75 -11.118 4.158 7.763 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.638 6.839 7.071 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.680 5.040 9.291 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.344 6.623 8.938 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.914 5.873 6.638 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.250 4.290 6.990 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.638 4.157 7.286 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.903 4.057 8.873 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.569 6.246 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -14.265 5.179 10.279 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -14.754 6.416 11.442 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.190 7.833 9.325 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.403 7.912 10.905 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.264 6.362 10.043 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.542 7.029 11.121 1.00 0.00 C ATOM 1105 C LEU A 76 -8.178 7.517 10.641 1.00 0.00 C ATOM 1106 O LEU A 76 -7.853 8.698 10.762 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.369 6.082 12.309 1.00 0.00 C ATOM 1108 CG LEU A 76 -10.610 5.291 12.723 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.212 4.007 13.434 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.509 6.138 13.612 1.00 0.00 C ATOM 0 H LEU A 76 -10.361 5.354 10.161 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.127 7.893 11.437 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.574 5.375 12.071 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.031 6.665 13.166 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.166 5.027 11.824 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.108 3.457 13.721 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.608 3.393 12.766 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -9.634 4.249 14.326 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.388 5.560 13.897 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -10.962 6.433 14.508 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -11.822 7.029 13.069 1.00 0.00 H new ATOM 1122 N SER A 77 -7.386 6.600 10.096 1.00 0.00 N ATOM 1123 CA SER A 77 -6.056 6.937 9.600 1.00 0.00 C ATOM 1124 C SER A 77 -6.117 8.127 8.647 1.00 0.00 C ATOM 1125 O SER A 77 -5.155 8.883 8.519 1.00 0.00 O ATOM 1126 CB SER A 77 -5.434 5.732 8.891 1.00 0.00 C ATOM 1127 OG SER A 77 -4.040 5.914 8.706 1.00 0.00 O ATOM 0 H SER A 77 -7.641 5.619 9.986 1.00 0.00 H new ATOM 0 HA SER A 77 -5.434 7.209 10.453 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.612 4.830 9.476 1.00 0.00 H new ATOM 0 HB3 SER A 77 -5.916 5.585 7.925 1.00 0.00 H new ATOM 0 HG SER A 77 -3.592 5.042 8.717 1.00 0.00 H new ATOM 1133 N SER A 78 -7.256 8.285 7.980 1.00 0.00 N ATOM 1134 CA SER A 78 -7.443 9.380 7.036 1.00 0.00 C ATOM 1135 C SER A 78 -7.802 10.671 7.765 1.00 0.00 C ATOM 1136 O SER A 78 -7.048 11.643 7.734 1.00 0.00 O ATOM 1137 CB SER A 78 -8.538 9.030 6.027 1.00 0.00 C ATOM 1138 OG SER A 78 -8.608 9.998 4.994 1.00 0.00 O ATOM 0 H SER A 78 -8.063 7.668 8.076 1.00 0.00 H new ATOM 0 HA SER A 78 -6.504 9.533 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 78 -8.340 8.048 5.597 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.500 8.967 6.536 1.00 0.00 H new ATOM 0 HG SER A 78 -9.314 9.751 4.361 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.958 10.672 8.420 1.00 0.00 N ATOM 1145 CA GLN A 79 -9.418 11.843 9.157 1.00 0.00 C ATOM 1146 C GLN A 79 -8.284 12.449 9.978 1.00 0.00 C ATOM 1147 O GLN A 79 -8.267 13.652 10.235 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.584 11.470 10.073 1.00 0.00 C ATOM 1149 CG GLN A 79 -10.148 10.974 11.442 1.00 0.00 C ATOM 1150 CD GLN A 79 -11.320 10.700 12.364 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -12.280 10.028 11.985 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -11.249 11.221 13.584 1.00 0.00 N ATOM 0 H GLN A 79 -9.593 9.875 8.455 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.757 12.586 8.435 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -11.228 12.340 10.199 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.182 10.698 9.590 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.562 10.062 11.324 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.495 11.715 11.902 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -10.435 11.772 13.857 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.009 11.070 14.248 1.00 0.00 H new ATOM 1161 N GLU A 80 -7.340 11.607 10.387 1.00 0.00 N ATOM 1162 CA GLU A 80 -6.204 12.060 11.181 1.00 0.00 C ATOM 1163 C GLU A 80 -5.269 12.929 10.344 1.00 0.00 C ATOM 1164 O GLU A 80 -5.131 14.127 10.591 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.437 10.863 11.745 1.00 0.00 C ATOM 1166 CG GLU A 80 -6.104 10.228 12.954 1.00 0.00 C ATOM 1167 CD GLU A 80 -6.066 11.122 14.178 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -6.980 11.959 14.330 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -5.121 10.986 14.984 1.00 0.00 O ATOM 0 H GLU A 80 -7.340 10.608 10.182 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.586 12.658 12.008 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.328 10.111 10.964 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.432 11.183 12.021 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -7.141 9.994 12.711 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -5.610 9.284 13.183 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.629 12.316 9.355 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.708 13.032 8.481 1.00 0.00 C ATOM 1178 C ALA A 81 -4.315 14.346 8.002 1.00 0.00 C ATOM 1179 O ALA A 81 -3.624 15.360 7.900 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.323 12.163 7.293 1.00 0.00 C ATOM 0 H ALA A 81 -4.731 11.325 9.138 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.810 13.264 9.054 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.635 12.711 6.649 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.840 11.253 7.649 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.218 11.902 6.728 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.611 14.322 7.709 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.312 15.512 7.243 1.00 0.00 C ATOM 1188 C ALA A 82 -6.019 16.709 8.141 1.00 0.00 C ATOM 1189 O ALA A 82 -5.455 17.708 7.696 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.809 15.251 7.178 1.00 0.00 C ATOM 0 H ALA A 82 -6.197 13.491 7.786 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.952 15.747 6.241 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.320 16.148 6.828 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.006 14.430 6.489 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -8.176 14.988 8.170 1.00 0.00 H new ATOM 1196 N SER A 83 -6.408 16.601 9.408 1.00 0.00 N ATOM 1197 CA SER A 83 -6.191 17.677 10.368 1.00 0.00 C ATOM 1198 C SER A 83 -4.722 17.756 10.772 1.00 0.00 C ATOM 1199 O SER A 83 -4.118 18.829 10.751 1.00 0.00 O ATOM 1200 CB SER A 83 -7.062 17.465 11.608 1.00 0.00 C ATOM 1201 OG SER A 83 -6.500 16.488 12.466 1.00 0.00 O ATOM 0 H SER A 83 -6.875 15.780 9.793 1.00 0.00 H new ATOM 0 HA SER A 83 -6.470 18.617 9.893 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.170 18.407 12.146 1.00 0.00 H new ATOM 0 HB3 SER A 83 -8.062 17.155 11.305 1.00 0.00 H new ATOM 0 HG SER A 83 -7.075 16.373 13.251 1.00 0.00 H new ATOM 1207 N SER A 84 -4.154 16.613 11.141 1.00 0.00 N ATOM 1208 CA SER A 84 -2.756 16.553 11.554 1.00 0.00 C ATOM 1209 C SER A 84 -1.902 17.503 10.721 1.00 0.00 C ATOM 1210 O SER A 84 -1.480 18.556 11.198 1.00 0.00 O ATOM 1211 CB SER A 84 -2.226 15.124 11.424 1.00 0.00 C ATOM 1212 OG SER A 84 -2.661 14.317 12.505 1.00 0.00 O ATOM 0 H SER A 84 -4.639 15.716 11.163 1.00 0.00 H new ATOM 0 HA SER A 84 -2.697 16.861 12.598 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.566 14.691 10.483 1.00 0.00 H new ATOM 0 HB3 SER A 84 -1.137 15.139 11.393 1.00 0.00 H new ATOM 0 HG SER A 84 -3.565 13.986 12.323 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.651 17.122 9.473 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.845 17.938 8.572 1.00 0.00 C ATOM 1220 C PHE A 85 -1.732 18.826 7.703 1.00 0.00 C ATOM 1221 O PHE A 85 -1.541 20.039 7.637 1.00 0.00 O ATOM 1222 CB PHE A 85 0.028 17.048 7.686 1.00 0.00 C ATOM 1223 CG PHE A 85 0.919 16.120 8.462 1.00 0.00 C ATOM 1224 CD1 PHE A 85 2.181 16.524 8.864 1.00 0.00 C ATOM 1225 CD2 PHE A 85 0.493 14.842 8.788 1.00 0.00 C ATOM 1226 CE1 PHE A 85 3.003 15.673 9.578 1.00 0.00 C ATOM 1227 CE2 PHE A 85 1.310 13.986 9.503 1.00 0.00 C ATOM 1228 CZ PHE A 85 2.567 14.402 9.897 1.00 0.00 C ATOM 0 H PHE A 85 -1.994 16.254 9.062 1.00 0.00 H new ATOM 0 HA PHE A 85 -0.202 18.577 9.178 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.614 16.459 7.031 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.644 17.679 7.045 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.527 17.517 8.616 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.488 14.511 8.480 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.985 16.001 9.886 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.966 12.993 9.753 1.00 0.00 H new ATOM 0 HZ PHE A 85 3.208 13.734 10.454 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.704 18.210 7.037 1.00 0.00 N ATOM 1239 CA GLY A 86 -3.606 18.957 6.180 1.00 0.00 C ATOM 1240 C GLY A 86 -4.255 18.088 5.122 1.00 0.00 C ATOM 1241 O GLY A 86 -5.391 18.336 4.716 1.00 0.00 O ATOM 0 H GLY A 86 -2.883 17.207 7.076 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -4.381 19.421 6.790 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.056 19.764 5.696 1.00 0.00 H new ATOM 1245 N ASP A 87 -3.534 17.066 4.674 1.00 0.00 N ATOM 1246 CA ASP A 87 -4.047 16.157 3.656 1.00 0.00 C ATOM 1247 C ASP A 87 -4.512 14.846 4.283 1.00 0.00 C ATOM 1248 O ASP A 87 -4.136 14.517 5.408 1.00 0.00 O ATOM 1249 CB ASP A 87 -2.974 15.880 2.602 1.00 0.00 C ATOM 1250 CG ASP A 87 -3.017 16.873 1.457 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -2.485 17.991 1.621 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -3.581 16.531 0.397 1.00 0.00 O ATOM 0 H ASP A 87 -2.593 16.846 5.000 1.00 0.00 H new ATOM 0 HA ASP A 87 -4.902 16.633 3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.991 15.913 3.071 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -3.106 14.872 2.210 1.00 0.00 H new ATOM 1257 N ASP A 88 -5.332 14.103 3.548 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.849 12.828 4.032 1.00 0.00 C ATOM 1259 C ASP A 88 -5.222 11.664 3.270 1.00 0.00 C ATOM 1260 O ASP A 88 -5.744 10.549 3.283 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.371 12.785 3.892 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.814 12.244 2.546 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -7.141 12.540 1.537 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -8.832 11.523 2.503 1.00 0.00 O ATOM 0 H ASP A 88 -5.653 14.361 2.615 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.586 12.733 5.086 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.788 12.164 4.685 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.774 13.789 4.027 1.00 0.00 H new ATOM 1269 N ARG A 89 -4.102 11.931 2.608 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.406 10.907 1.839 1.00 0.00 C ATOM 1271 C ARG A 89 -2.919 9.782 2.748 1.00 0.00 C ATOM 1272 O ARG A 89 -2.117 10.006 3.656 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.222 11.519 1.088 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.627 12.553 0.051 1.00 0.00 C ATOM 1275 CD ARG A 89 -1.468 12.902 -0.870 1.00 0.00 C ATOM 1276 NE ARG A 89 -1.708 14.141 -1.605 1.00 0.00 N ATOM 1277 CZ ARG A 89 -2.401 14.202 -2.737 1.00 0.00 C ATOM 1278 NH1 ARG A 89 -2.921 13.101 -3.259 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -2.576 15.368 -3.347 1.00 0.00 N ATOM 0 H ARG A 89 -3.657 12.848 2.589 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.108 10.490 1.117 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.547 11.983 1.807 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.664 10.722 0.596 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.460 12.171 -0.539 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.979 13.455 0.553 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.555 13.000 -0.283 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -1.307 12.087 -1.576 1.00 0.00 H new ATOM 0 HE ARG A 89 -1.322 15.007 -1.229 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.790 12.204 -2.792 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -3.453 13.150 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.178 16.218 -2.947 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -3.108 15.414 -4.216 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.409 8.573 2.498 1.00 0.00 N ATOM 1294 CA LEU A 90 -3.024 7.412 3.294 1.00 0.00 C ATOM 1295 C LEU A 90 -2.054 6.522 2.525 1.00 0.00 C ATOM 1296 O LEU A 90 -1.768 6.765 1.352 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.264 6.610 3.693 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.095 7.184 4.841 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.162 6.192 5.276 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.199 7.555 6.014 1.00 0.00 C ATOM 0 H LEU A 90 -4.073 8.371 1.751 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.524 7.769 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.907 6.515 2.818 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -3.948 5.604 3.968 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.591 8.088 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.743 6.618 6.094 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.822 5.976 4.436 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.687 5.270 5.611 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.807 7.962 6.822 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.675 6.667 6.366 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.473 8.302 5.695 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.551 5.489 3.193 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.614 4.560 2.571 1.00 0.00 C ATOM 1314 C LEU A 91 -0.891 3.127 3.016 1.00 0.00 C ATOM 1315 O LEU A 91 -1.575 2.899 4.015 1.00 0.00 O ATOM 1316 CB LEU A 91 0.825 4.945 2.922 1.00 0.00 C ATOM 1317 CG LEU A 91 1.407 6.134 2.157 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.839 6.401 2.594 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.342 5.887 0.657 1.00 0.00 C ATOM 0 H LEU A 91 -1.776 5.274 4.164 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.747 4.618 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.871 5.167 3.988 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.464 4.079 2.749 1.00 0.00 H new ATOM 0 HG LEU A 91 0.809 7.016 2.386 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.236 7.251 2.039 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.858 6.624 3.661 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.450 5.520 2.396 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.761 6.744 0.129 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.915 4.993 0.410 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.304 5.747 0.356 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.356 2.167 2.270 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.544 0.758 2.590 1.00 0.00 C ATOM 1333 C ILE A 92 0.733 -0.038 2.338 1.00 0.00 C ATOM 1334 O ILE A 92 1.374 0.111 1.299 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.690 0.141 1.766 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.950 1.001 1.881 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -1.968 -1.281 2.227 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.226 0.247 1.578 1.00 0.00 C ATOM 0 H ILE A 92 0.211 2.339 1.440 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.800 0.706 3.648 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.389 0.110 0.719 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.010 1.410 2.890 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.866 1.847 1.198 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.780 -1.703 1.635 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.071 -1.887 2.097 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.252 -1.273 3.279 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.078 0.919 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -4.187 -0.139 0.559 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.333 -0.583 2.277 1.00 0.00 H new ATOM 1350 N GLU A 93 1.095 -0.884 3.298 1.00 0.00 N ATOM 1351 CA GLU A 93 2.295 -1.704 3.179 1.00 0.00 C ATOM 1352 C GLU A 93 2.055 -3.104 3.737 1.00 0.00 C ATOM 1353 O GLU A 93 1.102 -3.333 4.482 1.00 0.00 O ATOM 1354 CB GLU A 93 3.465 -1.044 3.913 1.00 0.00 C ATOM 1355 CG GLU A 93 4.237 -0.052 3.060 1.00 0.00 C ATOM 1356 CD GLU A 93 5.123 -0.731 2.034 1.00 0.00 C ATOM 1357 OE1 GLU A 93 5.475 -1.911 2.243 1.00 0.00 O ATOM 1358 OE2 GLU A 93 5.465 -0.083 1.022 1.00 0.00 O ATOM 0 H GLU A 93 0.575 -1.019 4.165 1.00 0.00 H new ATOM 0 HA GLU A 93 2.541 -1.791 2.121 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.086 -0.532 4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.148 -1.819 4.262 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.534 0.606 2.549 1.00 0.00 H new ATOM 0 HG3 GLU A 93 4.851 0.576 3.706 1.00 0.00 H new ATOM 1365 N LYS A 94 2.926 -4.038 3.371 1.00 0.00 N ATOM 1366 CA LYS A 94 2.811 -5.415 3.833 1.00 0.00 C ATOM 1367 C LYS A 94 3.295 -5.548 5.274 1.00 0.00 C ATOM 1368 O LYS A 94 4.378 -5.077 5.621 1.00 0.00 O ATOM 1369 CB LYS A 94 3.616 -6.349 2.926 1.00 0.00 C ATOM 1370 CG LYS A 94 3.791 -7.747 3.494 1.00 0.00 C ATOM 1371 CD LYS A 94 2.546 -8.592 3.288 1.00 0.00 C ATOM 1372 CE LYS A 94 2.887 -10.070 3.174 1.00 0.00 C ATOM 1373 NZ LYS A 94 3.519 -10.394 1.865 1.00 0.00 N ATOM 0 H LYS A 94 3.720 -3.865 2.755 1.00 0.00 H new ATOM 0 HA LYS A 94 1.759 -5.698 3.793 1.00 0.00 H new ATOM 0 HB2 LYS A 94 3.120 -6.419 1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.599 -5.912 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.643 -8.231 3.017 1.00 0.00 H new ATOM 0 HG3 LYS A 94 4.016 -7.683 4.559 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.860 -8.439 4.121 1.00 0.00 H new ATOM 0 HD3 LYS A 94 2.029 -8.266 2.385 1.00 0.00 H new ATOM 0 HE2 LYS A 94 3.562 -10.350 3.983 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.980 -10.662 3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 3.489 -11.422 1.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 3.001 -9.914 1.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 4.508 -10.073 1.868 1.00 0.00 H new ATOM 1387 N PHE A 95 2.486 -6.192 6.108 1.00 0.00 N ATOM 1388 CA PHE A 95 2.832 -6.387 7.511 1.00 0.00 C ATOM 1389 C PHE A 95 3.256 -7.830 7.772 1.00 0.00 C ATOM 1390 O PHE A 95 2.484 -8.764 7.553 1.00 0.00 O ATOM 1391 CB PHE A 95 1.646 -6.023 8.406 1.00 0.00 C ATOM 1392 CG PHE A 95 1.906 -6.251 9.868 1.00 0.00 C ATOM 1393 CD1 PHE A 95 1.936 -7.535 10.388 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.120 -5.182 10.722 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.174 -7.748 11.732 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.360 -5.388 12.068 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.387 -6.673 12.573 1.00 0.00 C ATOM 0 H PHE A 95 1.586 -6.588 5.837 1.00 0.00 H new ATOM 0 HA PHE A 95 3.671 -5.732 7.746 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.391 -4.975 8.250 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.779 -6.610 8.103 1.00 0.00 H new ATOM 0 HD1 PHE A 95 1.771 -8.379 9.735 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.099 -4.175 10.332 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.194 -8.754 12.125 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.526 -4.546 12.723 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.574 -6.837 13.624 1.00 0.00 H new ATOM 1407 N ILE A 96 4.488 -8.002 8.239 1.00 0.00 N ATOM 1408 CA ILE A 96 5.015 -9.330 8.529 1.00 0.00 C ATOM 1409 C ILE A 96 5.637 -9.382 9.921 1.00 0.00 C ATOM 1410 O ILE A 96 6.678 -8.774 10.170 1.00 0.00 O ATOM 1411 CB ILE A 96 6.070 -9.757 7.491 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.621 -9.360 6.083 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.316 -11.256 7.572 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.667 -9.616 5.021 1.00 0.00 C ATOM 0 H ILE A 96 5.139 -7.239 8.425 1.00 0.00 H new ATOM 0 HA ILE A 96 4.173 -10.021 8.483 1.00 0.00 H new ATOM 0 HB ILE A 96 7.005 -9.243 7.712 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.715 -9.912 5.830 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.361 -8.301 6.078 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.064 -11.542 6.832 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.675 -11.513 8.569 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.386 -11.789 7.373 1.00 0.00 H new ATOM 0 HD11 ILE A 96 6.280 -9.311 4.049 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.566 -9.043 5.250 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.910 -10.678 4.998 1.00 0.00 H new