USER MOD reduce.3.24.130724 H: found=0, std=0, add=447, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 449 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 26 ASN : amide:sc= -0.556 X(o=-0.58,f=-0.086) USER MOD Set 1.2: A 84 ASN : amide:sc= -0.0286 K(o=-0.58,f=-2.8!) USER MOD Single : A 23 THR OG1 : rot 28:sc= 0.12 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0302 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.205 K(o=-0.2,f=-2.3!) USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.279 USER MOD Single : A 66 THR OG1 : rot -50:sc= 1.22 USER MOD Single : A 67 ASN : amide:sc= -1.98! C(o=-2!,f=-3.5!) USER MOD Single : A 70 ASN : amide:sc= -0.496 K(o=-0.5,f=-5.8!) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 79 GLN : amide:sc= -0.0237 X(o=-0.024,f=-0.024) USER MOD ----------------------------------------------------------------- ATOM 366 N THR A 23 -5.662 -4.717 -10.062 1.00 0.00 N ATOM 367 CA THR A 23 -5.102 -5.067 -8.745 1.00 0.00 C ATOM 368 C THR A 23 -4.842 -3.790 -7.932 1.00 0.00 C ATOM 369 O THR A 23 -4.007 -2.964 -8.301 1.00 0.00 O ATOM 370 CB THR A 23 -3.777 -5.892 -8.902 1.00 0.00 C ATOM 371 OG1 THR A 23 -4.015 -7.026 -9.756 1.00 0.00 O ATOM 372 CG2 THR A 23 -3.224 -6.389 -7.550 1.00 0.00 C ATOM 0 HA THR A 23 -5.825 -5.687 -8.215 1.00 0.00 H new ATOM 0 HB THR A 23 -3.033 -5.226 -9.339 1.00 0.00 H new ATOM 0 HG1 THR A 23 -4.740 -6.818 -10.382 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.307 -6.954 -7.717 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.012 -5.534 -6.907 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.962 -7.030 -7.069 1.00 0.00 H new ATOM 380 N ARG A 24 -5.603 -3.636 -6.841 1.00 0.00 N ATOM 381 CA ARG A 24 -5.615 -2.419 -6.013 1.00 0.00 C ATOM 382 C ARG A 24 -5.461 -2.750 -4.528 1.00 0.00 C ATOM 383 O ARG A 24 -5.648 -3.895 -4.097 1.00 0.00 O ATOM 384 CB ARG A 24 -6.911 -1.585 -6.270 1.00 0.00 C ATOM 385 CG ARG A 24 -6.912 -0.859 -7.630 1.00 0.00 C ATOM 386 CD ARG A 24 -8.070 0.135 -7.810 1.00 0.00 C ATOM 387 NE ARG A 24 -9.337 -0.511 -8.199 1.00 0.00 N ATOM 388 CZ ARG A 24 -10.115 -0.111 -9.221 1.00 0.00 C ATOM 389 NH1 ARG A 24 -9.748 0.901 -9.997 1.00 0.00 N ATOM 390 NH2 ARG A 24 -11.256 -0.732 -9.466 1.00 0.00 N ATOM 0 H ARG A 24 -6.236 -4.361 -6.503 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.757 -1.813 -6.304 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -7.776 -2.246 -6.219 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.025 -0.849 -5.474 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.968 -0.326 -7.746 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.958 -1.602 -8.426 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.219 0.681 -6.878 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.796 0.868 -8.569 1.00 0.00 H new ATOM 0 HE ARG A 24 -9.645 -1.317 -7.655 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.867 1.385 -9.822 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -10.347 1.195 -10.769 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.547 -1.515 -8.880 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.846 -0.428 -10.241 1.00 0.00 H new ATOM 404 N ILE A 25 -5.170 -1.695 -3.760 1.00 0.00 N ATOM 405 CA ILE A 25 -4.771 -1.774 -2.351 1.00 0.00 C ATOM 406 C ILE A 25 -5.212 -0.493 -1.621 1.00 0.00 C ATOM 407 O ILE A 25 -5.303 0.575 -2.235 1.00 0.00 O ATOM 408 CB ILE A 25 -3.207 -1.968 -2.235 1.00 0.00 C ATOM 409 CG1 ILE A 25 -2.722 -2.033 -0.745 1.00 0.00 C ATOM 410 CG2 ILE A 25 -2.455 -0.864 -3.012 1.00 0.00 C ATOM 411 CD1 ILE A 25 -1.252 -2.369 -0.563 1.00 0.00 C ATOM 0 H ILE A 25 -5.206 -0.738 -4.110 1.00 0.00 H new ATOM 0 HA ILE A 25 -5.256 -2.633 -1.887 1.00 0.00 H new ATOM 0 HB ILE A 25 -2.972 -2.931 -2.688 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -2.921 -1.072 -0.272 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.318 -2.778 -0.217 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -1.380 -1.020 -2.917 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -2.736 -0.904 -4.064 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -2.718 0.112 -2.604 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.013 -2.391 0.500 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.045 -3.345 -1.001 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.642 -1.613 -1.057 1.00 0.00 H new ATOM 423 N ASN A 26 -5.498 -0.617 -0.316 1.00 0.00 N ATOM 424 CA ASN A 26 -5.828 0.519 0.543 1.00 0.00 C ATOM 425 C ASN A 26 -4.524 0.963 1.210 1.00 0.00 C ATOM 426 O ASN A 26 -4.044 0.325 2.156 1.00 0.00 O ATOM 427 CB ASN A 26 -6.891 0.111 1.601 1.00 0.00 C ATOM 428 CG ASN A 26 -8.118 -0.532 0.959 1.00 0.00 C ATOM 429 OD1 ASN A 26 -9.082 0.134 0.600 1.00 0.00 O ATOM 430 ND2 ASN A 26 -8.076 -1.840 0.793 1.00 0.00 N ATOM 0 H ASN A 26 -5.506 -1.514 0.170 1.00 0.00 H new ATOM 0 HA ASN A 26 -6.258 1.337 -0.035 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -6.447 -0.586 2.312 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -7.197 0.991 2.166 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -8.860 -2.324 0.355 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -7.260 -2.367 1.102 1.00 0.00 H new ATOM 437 N VAL A 27 -3.943 2.029 0.656 1.00 0.00 N ATOM 438 CA VAL A 27 -2.656 2.574 1.088 1.00 0.00 C ATOM 439 C VAL A 27 -2.895 3.594 2.197 1.00 0.00 C ATOM 440 O VAL A 27 -3.475 4.655 1.951 1.00 0.00 O ATOM 441 CB VAL A 27 -1.906 3.261 -0.110 1.00 0.00 C ATOM 442 CG1 VAL A 27 -0.530 3.808 0.319 1.00 0.00 C ATOM 443 CG2 VAL A 27 -1.786 2.304 -1.313 1.00 0.00 C ATOM 0 H VAL A 27 -4.361 2.546 -0.118 1.00 0.00 H new ATOM 0 HA VAL A 27 -2.034 1.758 1.456 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.505 4.115 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -0.042 4.276 -0.536 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -0.662 4.546 1.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 0.088 2.989 0.687 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -1.263 2.806 -2.127 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -1.228 1.415 -1.017 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -2.782 2.013 -1.647 1.00 0.00 H new ATOM 453 N VAL A 28 -2.455 3.263 3.407 1.00 0.00 N ATOM 454 CA VAL A 28 -2.637 4.108 4.583 1.00 0.00 C ATOM 455 C VAL A 28 -1.318 4.838 4.855 1.00 0.00 C ATOM 456 O VAL A 28 -0.367 4.243 5.377 1.00 0.00 O ATOM 457 CB VAL A 28 -3.067 3.266 5.850 1.00 0.00 C ATOM 458 CG1 VAL A 28 -3.486 4.189 7.013 1.00 0.00 C ATOM 459 CG2 VAL A 28 -4.173 2.233 5.505 1.00 0.00 C ATOM 0 H VAL A 28 -1.958 2.394 3.601 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.438 4.821 4.388 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.197 2.698 6.180 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.777 3.583 7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.649 4.830 7.288 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.329 4.806 6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.441 1.674 6.402 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.052 2.754 5.125 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -3.803 1.544 4.745 1.00 0.00 H new ATOM 469 N ASP A 29 -1.255 6.110 4.439 1.00 0.00 N ATOM 470 CA ASP A 29 -0.091 6.971 4.669 1.00 0.00 C ATOM 471 C ASP A 29 0.176 7.073 6.194 1.00 0.00 C ATOM 472 O ASP A 29 -0.710 7.498 6.933 1.00 0.00 O ATOM 473 CB ASP A 29 -0.333 8.373 4.054 1.00 0.00 C ATOM 474 CG ASP A 29 0.921 9.270 4.087 1.00 0.00 C ATOM 475 OD1 ASP A 29 1.219 9.868 5.133 1.00 0.00 O ATOM 476 OD2 ASP A 29 1.608 9.382 3.063 1.00 0.00 O ATOM 0 H ASP A 29 -2.012 6.570 3.933 1.00 0.00 H new ATOM 0 HA ASP A 29 0.785 6.540 4.185 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.664 8.259 3.022 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -1.140 8.867 4.595 1.00 0.00 H new ATOM 481 N PRO A 30 1.380 6.657 6.687 1.00 0.00 N ATOM 482 CA PRO A 30 1.664 6.556 8.144 1.00 0.00 C ATOM 483 C PRO A 30 1.810 7.925 8.840 1.00 0.00 C ATOM 484 O PRO A 30 1.756 8.002 10.069 1.00 0.00 O ATOM 485 CB PRO A 30 2.988 5.751 8.180 1.00 0.00 C ATOM 486 CG PRO A 30 3.671 6.137 6.908 1.00 0.00 C ATOM 487 CD PRO A 30 2.563 6.251 5.883 1.00 0.00 C ATOM 0 HA PRO A 30 0.846 6.085 8.689 1.00 0.00 H new ATOM 0 HB2 PRO A 30 3.590 6.008 9.052 1.00 0.00 H new ATOM 0 HB3 PRO A 30 2.803 4.678 8.226 1.00 0.00 H new ATOM 0 HG2 PRO A 30 4.205 7.081 7.018 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.406 5.388 6.612 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.800 6.990 5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.393 5.304 5.370 1.00 0.00 H new ATOM 495 N GLU A 31 1.994 8.994 8.051 1.00 0.00 N ATOM 496 CA GLU A 31 2.239 10.344 8.579 1.00 0.00 C ATOM 497 C GLU A 31 0.908 11.105 8.742 1.00 0.00 C ATOM 498 O GLU A 31 0.606 11.616 9.820 1.00 0.00 O ATOM 499 CB GLU A 31 3.213 11.085 7.619 1.00 0.00 C ATOM 500 CG GLU A 31 4.555 10.342 7.422 1.00 0.00 C ATOM 501 CD GLU A 31 5.484 10.974 6.378 1.00 0.00 C ATOM 502 OE1 GLU A 31 6.071 12.040 6.651 1.00 0.00 O ATOM 503 OE2 GLU A 31 5.640 10.404 5.278 1.00 0.00 O ATOM 0 H GLU A 31 1.977 8.947 7.032 1.00 0.00 H new ATOM 0 HA GLU A 31 2.697 10.285 9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 31 2.730 11.214 6.650 1.00 0.00 H new ATOM 0 HB3 GLU A 31 3.411 12.082 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.077 10.302 8.378 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.347 9.313 7.129 1.00 0.00 H new ATOM 510 N THR A 32 0.112 11.139 7.662 1.00 0.00 N ATOM 511 CA THR A 32 -1.176 11.868 7.615 1.00 0.00 C ATOM 512 C THR A 32 -2.364 10.997 8.092 1.00 0.00 C ATOM 513 O THR A 32 -3.314 11.509 8.694 1.00 0.00 O ATOM 514 CB THR A 32 -1.468 12.375 6.160 1.00 0.00 C ATOM 515 OG1 THR A 32 -1.552 11.254 5.265 1.00 0.00 O ATOM 516 CG2 THR A 32 -0.379 13.336 5.652 1.00 0.00 C ATOM 0 H THR A 32 0.340 10.661 6.790 1.00 0.00 H new ATOM 0 HA THR A 32 -1.079 12.714 8.295 1.00 0.00 H new ATOM 0 HB THR A 32 -2.413 12.917 6.189 1.00 0.00 H new ATOM 0 HG1 THR A 32 -1.736 11.573 4.357 1.00 0.00 H new ATOM 0 HG21 THR A 32 -0.623 13.661 4.641 1.00 0.00 H new ATOM 0 HG22 THR A 32 -0.325 14.204 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.584 12.825 5.646 1.00 0.00 H new ATOM 524 N GLY A 33 -2.293 9.682 7.831 1.00 0.00 N ATOM 525 CA GLY A 33 -3.400 8.746 8.126 1.00 0.00 C ATOM 526 C GLY A 33 -4.364 8.560 6.945 1.00 0.00 C ATOM 527 O GLY A 33 -5.399 7.895 7.087 1.00 0.00 O ATOM 0 H GLY A 33 -1.476 9.236 7.413 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.984 7.777 8.404 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -3.958 9.113 8.988 1.00 0.00 H new ATOM 531 N LYS A 34 -4.039 9.192 5.795 1.00 0.00 N ATOM 532 CA LYS A 34 -4.842 9.108 4.556 1.00 0.00 C ATOM 533 C LYS A 34 -4.899 7.666 4.010 1.00 0.00 C ATOM 534 O LYS A 34 -3.888 7.144 3.543 1.00 0.00 O ATOM 535 CB LYS A 34 -4.262 10.072 3.473 1.00 0.00 C ATOM 536 CG LYS A 34 -4.549 11.576 3.717 1.00 0.00 C ATOM 537 CD LYS A 34 -6.028 11.954 3.450 1.00 0.00 C ATOM 538 CE LYS A 34 -6.328 13.442 3.708 1.00 0.00 C ATOM 539 NZ LYS A 34 -6.278 13.780 5.150 1.00 0.00 N ATOM 0 H LYS A 34 -3.209 9.777 5.701 1.00 0.00 H new ATOM 0 HA LYS A 34 -5.861 9.410 4.799 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -3.183 9.927 3.419 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -4.670 9.792 2.502 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.294 11.828 4.746 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.904 12.174 3.073 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -6.277 11.713 2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -6.672 11.345 4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.607 14.055 3.167 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -7.314 13.686 3.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -6.486 14.791 5.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -6.983 13.214 5.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.330 13.572 5.523 1.00 0.00 H new ATOM 553 N VAL A 35 -6.083 7.029 4.114 1.00 0.00 N ATOM 554 CA VAL A 35 -6.355 5.718 3.496 1.00 0.00 C ATOM 555 C VAL A 35 -6.920 5.965 2.087 1.00 0.00 C ATOM 556 O VAL A 35 -8.026 6.491 1.945 1.00 0.00 O ATOM 557 CB VAL A 35 -7.379 4.857 4.332 1.00 0.00 C ATOM 558 CG1 VAL A 35 -7.554 3.449 3.721 1.00 0.00 C ATOM 559 CG2 VAL A 35 -6.968 4.780 5.821 1.00 0.00 C ATOM 0 H VAL A 35 -6.877 7.410 4.629 1.00 0.00 H new ATOM 0 HA VAL A 35 -5.423 5.154 3.459 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.346 5.358 4.287 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -8.265 2.879 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.927 3.539 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -6.593 2.934 3.712 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.695 4.180 6.368 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.983 4.321 5.903 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.937 5.785 6.242 1.00 0.00 H new ATOM 569 N GLU A 36 -6.146 5.606 1.061 1.00 0.00 N ATOM 570 CA GLU A 36 -6.481 5.876 -0.344 1.00 0.00 C ATOM 571 C GLU A 36 -6.354 4.591 -1.177 1.00 0.00 C ATOM 572 O GLU A 36 -5.339 3.895 -1.095 1.00 0.00 O ATOM 573 CB GLU A 36 -5.542 6.986 -0.892 1.00 0.00 C ATOM 574 CG GLU A 36 -5.696 7.319 -2.392 1.00 0.00 C ATOM 575 CD GLU A 36 -7.099 7.811 -2.789 1.00 0.00 C ATOM 576 OE1 GLU A 36 -7.361 9.025 -2.707 1.00 0.00 O ATOM 577 OE2 GLU A 36 -7.949 6.986 -3.186 1.00 0.00 O ATOM 0 H GLU A 36 -5.260 5.115 1.180 1.00 0.00 H new ATOM 0 HA GLU A 36 -7.513 6.221 -0.413 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -5.714 7.897 -0.318 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.510 6.685 -0.710 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.966 8.083 -2.660 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.456 6.431 -2.976 1.00 0.00 H new ATOM 584 N ILE A 37 -7.393 4.299 -1.987 1.00 0.00 N ATOM 585 CA ILE A 37 -7.402 3.150 -2.907 1.00 0.00 C ATOM 586 C ILE A 37 -6.520 3.493 -4.124 1.00 0.00 C ATOM 587 O ILE A 37 -6.838 4.411 -4.894 1.00 0.00 O ATOM 588 CB ILE A 37 -8.866 2.776 -3.381 1.00 0.00 C ATOM 589 CG1 ILE A 37 -9.814 2.573 -2.149 1.00 0.00 C ATOM 590 CG2 ILE A 37 -8.860 1.514 -4.295 1.00 0.00 C ATOM 591 CD1 ILE A 37 -11.264 2.269 -2.499 1.00 0.00 C ATOM 0 H ILE A 37 -8.248 4.855 -2.019 1.00 0.00 H new ATOM 0 HA ILE A 37 -7.009 2.280 -2.381 1.00 0.00 H new ATOM 0 HB ILE A 37 -9.249 3.608 -3.971 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -9.424 1.758 -1.539 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -9.785 3.473 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.880 1.283 -4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -8.249 1.706 -5.177 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.447 0.668 -3.745 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.841 2.145 -1.583 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -11.678 3.093 -3.080 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.312 1.351 -3.085 1.00 0.00 H new ATOM 603 N ALA A 38 -5.422 2.750 -4.279 1.00 0.00 N ATOM 604 CA ALA A 38 -4.401 2.999 -5.306 1.00 0.00 C ATOM 605 C ALA A 38 -4.209 1.752 -6.163 1.00 0.00 C ATOM 606 O ALA A 38 -4.411 0.626 -5.690 1.00 0.00 O ATOM 607 CB ALA A 38 -3.077 3.420 -4.653 1.00 0.00 C ATOM 0 H ALA A 38 -5.212 1.946 -3.687 1.00 0.00 H new ATOM 0 HA ALA A 38 -4.736 3.813 -5.948 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -2.331 3.601 -5.427 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -3.230 4.332 -4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.729 2.626 -3.992 1.00 0.00 H new ATOM 613 N GLU A 39 -3.762 1.971 -7.408 1.00 0.00 N ATOM 614 CA GLU A 39 -3.595 0.906 -8.408 1.00 0.00 C ATOM 615 C GLU A 39 -2.148 0.422 -8.329 1.00 0.00 C ATOM 616 O GLU A 39 -1.217 1.240 -8.437 1.00 0.00 O ATOM 617 CB GLU A 39 -3.919 1.401 -9.855 1.00 0.00 C ATOM 618 CG GLU A 39 -5.383 1.827 -10.125 1.00 0.00 C ATOM 619 CD GLU A 39 -5.813 3.101 -9.364 1.00 0.00 C ATOM 620 OE1 GLU A 39 -5.485 4.214 -9.817 1.00 0.00 O ATOM 621 OE2 GLU A 39 -6.480 3.000 -8.320 1.00 0.00 O ATOM 0 H GLU A 39 -3.505 2.896 -7.751 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.294 0.098 -8.192 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.270 2.247 -10.080 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -3.660 0.606 -10.554 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -5.512 1.993 -11.195 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -6.047 1.008 -9.848 1.00 0.00 H new ATOM 628 N ILE A 40 -1.957 -0.891 -8.111 1.00 0.00 N ATOM 629 CA ILE A 40 -0.622 -1.482 -7.992 1.00 0.00 C ATOM 630 C ILE A 40 -0.002 -1.566 -9.396 1.00 0.00 C ATOM 631 O ILE A 40 -0.420 -2.374 -10.228 1.00 0.00 O ATOM 632 CB ILE A 40 -0.672 -2.907 -7.311 1.00 0.00 C ATOM 633 CG1 ILE A 40 -1.291 -2.802 -5.874 1.00 0.00 C ATOM 634 CG2 ILE A 40 0.729 -3.578 -7.269 1.00 0.00 C ATOM 635 CD1 ILE A 40 -1.366 -4.103 -5.083 1.00 0.00 C ATOM 0 H ILE A 40 -2.719 -1.563 -8.014 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.007 -0.852 -7.350 1.00 0.00 H new ATOM 0 HB ILE A 40 -1.312 -3.545 -7.920 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -0.706 -2.084 -5.299 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.298 -2.395 -5.962 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.650 -4.555 -6.793 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.105 -3.698 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.416 -2.952 -6.699 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -1.810 -3.910 -4.107 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.979 -4.823 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.362 -4.507 -4.951 1.00 0.00 H new ATOM 647 N ARG A 41 1.009 -0.719 -9.619 1.00 0.00 N ATOM 648 CA ARG A 41 1.727 -0.594 -10.896 1.00 0.00 C ATOM 649 C ARG A 41 2.611 -1.819 -11.131 1.00 0.00 C ATOM 650 O ARG A 41 2.676 -2.358 -12.241 1.00 0.00 O ATOM 651 CB ARG A 41 2.600 0.685 -10.861 1.00 0.00 C ATOM 652 CG ARG A 41 1.803 1.990 -10.649 1.00 0.00 C ATOM 653 CD ARG A 41 2.709 3.218 -10.466 1.00 0.00 C ATOM 654 NE ARG A 41 3.610 3.423 -11.607 1.00 0.00 N ATOM 655 CZ ARG A 41 4.825 3.978 -11.534 1.00 0.00 C ATOM 656 NH1 ARG A 41 5.338 4.350 -10.361 1.00 0.00 N ATOM 657 NH2 ARG A 41 5.533 4.144 -12.639 1.00 0.00 N ATOM 0 H ARG A 41 1.360 -0.086 -8.901 1.00 0.00 H new ATOM 0 HA ARG A 41 1.005 -0.527 -11.710 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.335 0.588 -10.062 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.154 0.759 -11.797 1.00 0.00 H new ATOM 0 HG2 ARG A 41 1.147 2.153 -11.504 1.00 0.00 H new ATOM 0 HG3 ARG A 41 1.164 1.882 -9.773 1.00 0.00 H new ATOM 0 HD2 ARG A 41 2.091 4.105 -10.331 1.00 0.00 H new ATOM 0 HD3 ARG A 41 3.299 3.099 -9.557 1.00 0.00 H new ATOM 0 HE ARG A 41 3.285 3.119 -12.525 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.803 4.213 -9.504 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.266 4.772 -10.321 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.152 3.850 -13.538 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.460 4.566 -12.592 1.00 0.00 H new ATOM 671 N ASN A 42 3.282 -2.240 -10.057 1.00 0.00 N ATOM 672 CA ASN A 42 4.241 -3.349 -10.083 1.00 0.00 C ATOM 673 C ASN A 42 4.420 -3.878 -8.650 1.00 0.00 C ATOM 674 O ASN A 42 3.924 -3.291 -7.696 1.00 0.00 O ATOM 675 CB ASN A 42 5.600 -2.873 -10.704 1.00 0.00 C ATOM 676 CG ASN A 42 6.595 -4.006 -10.996 1.00 0.00 C ATOM 677 OD1 ASN A 42 6.208 -5.142 -11.264 1.00 0.00 O ATOM 678 ND2 ASN A 42 7.880 -3.695 -10.978 1.00 0.00 N ATOM 0 H ASN A 42 3.175 -1.817 -9.135 1.00 0.00 H new ATOM 0 HA ASN A 42 3.869 -4.159 -10.710 1.00 0.00 H new ATOM 0 HB2 ASN A 42 5.394 -2.338 -11.631 1.00 0.00 H new ATOM 0 HB3 ASN A 42 6.067 -2.162 -10.023 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.580 -4.406 -11.190 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.171 -2.744 -10.752 1.00 0.00 H new ATOM 685 N VAL A 43 5.098 -5.011 -8.519 1.00 0.00 N ATOM 686 CA VAL A 43 5.442 -5.637 -7.234 1.00 0.00 C ATOM 687 C VAL A 43 6.982 -5.721 -7.142 1.00 0.00 C ATOM 688 O VAL A 43 7.604 -6.679 -7.613 1.00 0.00 O ATOM 689 CB VAL A 43 4.736 -7.050 -7.111 1.00 0.00 C ATOM 690 CG1 VAL A 43 3.240 -6.890 -6.762 1.00 0.00 C ATOM 691 CG2 VAL A 43 4.881 -7.869 -8.417 1.00 0.00 C ATOM 0 H VAL A 43 5.437 -5.540 -9.322 1.00 0.00 H new ATOM 0 HA VAL A 43 5.080 -5.044 -6.394 1.00 0.00 H new ATOM 0 HB VAL A 43 5.233 -7.590 -6.306 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.778 -7.874 -6.683 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.142 -6.366 -5.811 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.743 -6.317 -7.545 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.386 -8.833 -8.299 1.00 0.00 H new ATOM 0 HG22 VAL A 43 4.422 -7.324 -9.241 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.938 -8.028 -8.631 1.00 0.00 H new ATOM 914 N ILE A 57 2.019 -13.026 -7.357 1.00 0.00 N ATOM 915 CA ILE A 57 1.877 -13.704 -6.060 1.00 0.00 C ATOM 916 C ILE A 57 2.502 -12.804 -4.959 1.00 0.00 C ATOM 917 O ILE A 57 3.720 -12.844 -4.711 1.00 0.00 O ATOM 918 CB ILE A 57 2.579 -15.123 -6.071 1.00 0.00 C ATOM 919 CG1 ILE A 57 2.104 -15.969 -7.298 1.00 0.00 C ATOM 920 CG2 ILE A 57 2.344 -15.888 -4.737 1.00 0.00 C ATOM 921 CD1 ILE A 57 2.891 -17.250 -7.531 1.00 0.00 C ATOM 0 HA ILE A 57 0.818 -13.866 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 57 3.652 -14.960 -6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 57 1.053 -16.224 -7.161 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.168 -15.352 -8.194 1.00 0.00 H new ATOM 0 HG21 ILE A 57 2.840 -16.857 -4.781 1.00 0.00 H new ATOM 0 HG22 ILE A 57 2.752 -15.309 -3.909 1.00 0.00 H new ATOM 0 HG23 ILE A 57 1.275 -16.035 -4.585 1.00 0.00 H new ATOM 0 HD11 ILE A 57 2.491 -17.770 -8.402 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.939 -17.007 -7.704 1.00 0.00 H new ATOM 0 HD13 ILE A 57 2.807 -17.893 -6.655 1.00 0.00 H new ATOM 933 N ILE A 58 1.660 -11.945 -4.372 1.00 0.00 N ATOM 934 CA ILE A 58 2.062 -11.002 -3.313 1.00 0.00 C ATOM 935 C ILE A 58 2.065 -11.726 -1.942 1.00 0.00 C ATOM 936 O ILE A 58 1.341 -12.711 -1.746 1.00 0.00 O ATOM 937 CB ILE A 58 1.084 -9.760 -3.288 1.00 0.00 C ATOM 938 CG1 ILE A 58 0.988 -9.080 -4.698 1.00 0.00 C ATOM 939 CG2 ILE A 58 1.500 -8.729 -2.209 1.00 0.00 C ATOM 940 CD1 ILE A 58 0.015 -7.908 -4.790 1.00 0.00 C ATOM 0 H ILE A 58 0.672 -11.882 -4.618 1.00 0.00 H new ATOM 0 HA ILE A 58 3.069 -10.638 -3.519 1.00 0.00 H new ATOM 0 HB ILE A 58 0.095 -10.136 -3.026 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.980 -8.731 -4.983 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.693 -9.834 -5.428 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.805 -7.889 -2.221 1.00 0.00 H new ATOM 0 HG22 ILE A 58 1.481 -9.202 -1.227 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.507 -8.369 -2.419 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.022 -7.508 -5.804 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.990 -8.249 -4.542 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.317 -7.129 -4.090 1.00 0.00 H new ATOM 952 N THR A 59 2.914 -11.252 -1.016 1.00 0.00 N ATOM 953 CA THR A 59 2.964 -11.735 0.377 1.00 0.00 C ATOM 954 C THR A 59 2.889 -10.538 1.342 1.00 0.00 C ATOM 955 O THR A 59 2.979 -9.376 0.915 1.00 0.00 O ATOM 956 CB THR A 59 4.286 -12.534 0.649 1.00 0.00 C ATOM 957 OG1 THR A 59 5.427 -11.698 0.380 1.00 0.00 O ATOM 958 CG2 THR A 59 4.386 -13.811 -0.203 1.00 0.00 C ATOM 0 H THR A 59 3.592 -10.516 -1.213 1.00 0.00 H new ATOM 0 HA THR A 59 2.115 -12.400 0.538 1.00 0.00 H new ATOM 0 HB THR A 59 4.269 -12.832 1.697 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.250 -12.202 0.553 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.319 -14.327 0.023 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.545 -14.466 0.023 1.00 0.00 H new ATOM 0 HG23 THR A 59 4.365 -13.546 -1.260 1.00 0.00 H new ATOM 966 N ARG A 60 2.726 -10.835 2.640 1.00 0.00 N ATOM 967 CA ARG A 60 2.808 -9.823 3.703 1.00 0.00 C ATOM 968 C ARG A 60 4.277 -9.390 3.875 1.00 0.00 C ATOM 969 O ARG A 60 5.183 -10.228 3.820 1.00 0.00 O ATOM 970 CB ARG A 60 2.256 -10.390 5.036 1.00 0.00 C ATOM 971 CG ARG A 60 2.096 -9.342 6.161 1.00 0.00 C ATOM 972 CD ARG A 60 1.783 -9.982 7.518 1.00 0.00 C ATOM 973 NE ARG A 60 0.660 -10.934 7.430 1.00 0.00 N ATOM 974 CZ ARG A 60 -0.487 -10.848 8.105 1.00 0.00 C ATOM 975 NH1 ARG A 60 -0.714 -9.851 8.950 1.00 0.00 N ATOM 976 NH2 ARG A 60 -1.412 -11.773 7.928 1.00 0.00 N ATOM 0 H ARG A 60 2.535 -11.777 2.981 1.00 0.00 H new ATOM 0 HA ARG A 60 2.203 -8.959 3.426 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.287 -10.852 4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.922 -11.179 5.384 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.012 -8.757 6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.297 -8.649 5.897 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.668 -10.498 7.889 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.542 -9.202 8.241 1.00 0.00 H new ATOM 0 HE ARG A 60 0.770 -11.727 6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.005 -9.132 9.093 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.598 -9.803 9.457 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.246 -12.543 7.280 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.293 -11.717 8.439 1.00 0.00 H new ATOM 990 N GLY A 61 4.502 -8.077 4.049 1.00 0.00 N ATOM 991 CA GLY A 61 5.844 -7.501 4.171 1.00 0.00 C ATOM 992 C GLY A 61 6.482 -7.186 2.824 1.00 0.00 C ATOM 993 O GLY A 61 7.485 -6.465 2.771 1.00 0.00 O ATOM 0 H GLY A 61 3.754 -7.387 4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 61 5.789 -6.587 4.763 1.00 0.00 H new ATOM 0 HA3 GLY A 61 6.483 -8.196 4.716 1.00 0.00 H new ATOM 997 N ALA A 62 5.906 -7.734 1.733 1.00 0.00 N ATOM 998 CA ALA A 62 6.367 -7.477 0.361 1.00 0.00 C ATOM 999 C ALA A 62 6.018 -6.041 -0.034 1.00 0.00 C ATOM 1000 O ALA A 62 4.947 -5.529 0.332 1.00 0.00 O ATOM 1001 CB ALA A 62 5.739 -8.480 -0.623 1.00 0.00 C ATOM 0 H ALA A 62 5.108 -8.367 1.784 1.00 0.00 H new ATOM 0 HA ALA A 62 7.449 -7.605 0.320 1.00 0.00 H new ATOM 0 HB1 ALA A 62 6.094 -8.271 -1.632 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.024 -9.494 -0.341 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.653 -8.387 -0.594 1.00 0.00 H new ATOM 1007 N VAL A 63 6.933 -5.393 -0.763 1.00 0.00 N ATOM 1008 CA VAL A 63 6.755 -4.012 -1.216 1.00 0.00 C ATOM 1009 C VAL A 63 6.093 -4.000 -2.598 1.00 0.00 C ATOM 1010 O VAL A 63 6.637 -4.554 -3.570 1.00 0.00 O ATOM 1011 CB VAL A 63 8.120 -3.242 -1.260 1.00 0.00 C ATOM 1012 CG1 VAL A 63 7.947 -1.793 -1.754 1.00 0.00 C ATOM 1013 CG2 VAL A 63 8.827 -3.291 0.113 1.00 0.00 C ATOM 0 H VAL A 63 7.816 -5.812 -1.055 1.00 0.00 H new ATOM 0 HA VAL A 63 6.110 -3.501 -0.502 1.00 0.00 H new ATOM 0 HB VAL A 63 8.758 -3.749 -1.984 1.00 0.00 H new ATOM 0 HG11 VAL A 63 8.917 -1.296 -1.769 1.00 0.00 H new ATOM 0 HG12 VAL A 63 7.527 -1.799 -2.760 1.00 0.00 H new ATOM 0 HG13 VAL A 63 7.275 -1.258 -1.083 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.771 -2.750 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 63 8.190 -2.830 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 63 9.020 -4.328 0.386 1.00 0.00 H new ATOM 1023 N VAL A 64 4.903 -3.396 -2.667 1.00 0.00 N ATOM 1024 CA VAL A 64 4.185 -3.184 -3.923 1.00 0.00 C ATOM 1025 C VAL A 64 4.328 -1.714 -4.352 1.00 0.00 C ATOM 1026 O VAL A 64 4.228 -0.796 -3.531 1.00 0.00 O ATOM 1027 CB VAL A 64 2.664 -3.601 -3.815 1.00 0.00 C ATOM 1028 CG1 VAL A 64 2.527 -5.115 -3.517 1.00 0.00 C ATOM 1029 CG2 VAL A 64 1.896 -2.766 -2.760 1.00 0.00 C ATOM 0 H VAL A 64 4.410 -3.039 -1.848 1.00 0.00 H new ATOM 0 HA VAL A 64 4.629 -3.826 -4.684 1.00 0.00 H new ATOM 0 HB VAL A 64 2.209 -3.391 -4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.472 -5.378 -3.447 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.991 -5.687 -4.320 1.00 0.00 H new ATOM 0 HG13 VAL A 64 3.022 -5.346 -2.574 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.856 -3.092 -2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.354 -2.907 -1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.937 -1.711 -3.031 1.00 0.00 H new ATOM 1039 N GLU A 65 4.597 -1.510 -5.640 1.00 0.00 N ATOM 1040 CA GLU A 65 4.657 -0.184 -6.260 1.00 0.00 C ATOM 1041 C GLU A 65 3.232 0.196 -6.683 1.00 0.00 C ATOM 1042 O GLU A 65 2.575 -0.584 -7.372 1.00 0.00 O ATOM 1043 CB GLU A 65 5.611 -0.208 -7.490 1.00 0.00 C ATOM 1044 CG GLU A 65 5.759 1.130 -8.238 1.00 0.00 C ATOM 1045 CD GLU A 65 6.341 2.258 -7.367 1.00 0.00 C ATOM 1046 OE1 GLU A 65 7.583 2.401 -7.304 1.00 0.00 O ATOM 1047 OE2 GLU A 65 5.562 3.010 -6.747 1.00 0.00 O ATOM 0 H GLU A 65 4.782 -2.271 -6.293 1.00 0.00 H new ATOM 0 HA GLU A 65 5.047 0.552 -5.557 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.598 -0.529 -7.157 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.251 -0.960 -8.193 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.402 0.983 -9.106 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.783 1.438 -8.613 1.00 0.00 H new ATOM 1054 N THR A 66 2.757 1.374 -6.261 1.00 0.00 N ATOM 1055 CA THR A 66 1.392 1.853 -6.559 1.00 0.00 C ATOM 1056 C THR A 66 1.480 3.262 -7.143 1.00 0.00 C ATOM 1057 O THR A 66 2.566 3.845 -7.189 1.00 0.00 O ATOM 1058 CB THR A 66 0.462 1.862 -5.289 1.00 0.00 C ATOM 1059 OG1 THR A 66 0.879 2.875 -4.356 1.00 0.00 O ATOM 1060 CG2 THR A 66 0.441 0.494 -4.581 1.00 0.00 C ATOM 0 H THR A 66 3.306 2.027 -5.702 1.00 0.00 H new ATOM 0 HA THR A 66 0.945 1.163 -7.275 1.00 0.00 H new ATOM 0 HB THR A 66 -0.546 2.083 -5.639 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.842 2.795 -4.195 1.00 0.00 H new ATOM 0 HG21 THR A 66 -0.213 0.545 -3.710 1.00 0.00 H new ATOM 0 HG22 THR A 66 0.071 -0.266 -5.269 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.450 0.234 -4.262 1.00 0.00 H new ATOM 1068 N ASN A 67 0.335 3.812 -7.584 1.00 0.00 N ATOM 1069 CA ASN A 67 0.269 5.180 -8.149 1.00 0.00 C ATOM 1070 C ASN A 67 0.609 6.264 -7.107 1.00 0.00 C ATOM 1071 O ASN A 67 0.835 7.415 -7.479 1.00 0.00 O ATOM 1072 CB ASN A 67 -1.120 5.456 -8.772 1.00 0.00 C ATOM 1073 CG ASN A 67 -1.416 4.613 -10.013 1.00 0.00 C ATOM 1074 OD1 ASN A 67 -0.520 4.210 -10.749 1.00 0.00 O ATOM 1075 ND2 ASN A 67 -2.677 4.379 -10.274 1.00 0.00 N ATOM 0 H ASN A 67 -0.564 3.331 -7.561 1.00 0.00 H new ATOM 0 HA ASN A 67 1.026 5.230 -8.932 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -1.889 5.266 -8.023 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -1.187 6.511 -9.036 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.936 3.850 -11.107 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -3.401 4.726 -9.645 1.00 0.00 H new ATOM 1082 N LEU A 68 0.656 5.888 -5.809 1.00 0.00 N ATOM 1083 CA LEU A 68 1.039 6.799 -4.716 1.00 0.00 C ATOM 1084 C LEU A 68 2.531 6.618 -4.413 1.00 0.00 C ATOM 1085 O LEU A 68 3.284 7.590 -4.303 1.00 0.00 O ATOM 1086 CB LEU A 68 0.193 6.514 -3.451 1.00 0.00 C ATOM 1087 CG LEU A 68 -1.353 6.635 -3.614 1.00 0.00 C ATOM 1088 CD1 LEU A 68 -2.069 6.345 -2.278 1.00 0.00 C ATOM 1089 CD2 LEU A 68 -1.767 8.017 -4.187 1.00 0.00 C ATOM 0 H LEU A 68 0.429 4.945 -5.494 1.00 0.00 H new ATOM 0 HA LEU A 68 0.852 7.829 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 68 0.423 5.506 -3.105 1.00 0.00 H new ATOM 0 HB3 LEU A 68 0.509 7.201 -2.666 1.00 0.00 H new ATOM 0 HG LEU A 68 -1.667 5.883 -4.338 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.147 6.435 -2.416 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -1.829 5.334 -1.948 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -1.738 7.060 -1.525 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -2.852 8.060 -4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -1.432 8.805 -3.513 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -1.308 8.157 -5.166 1.00 0.00 H new ATOM 1101 N GLY A 69 2.937 5.350 -4.281 1.00 0.00 N ATOM 1102 CA GLY A 69 4.324 4.990 -4.017 1.00 0.00 C ATOM 1103 C GLY A 69 4.462 3.535 -3.616 1.00 0.00 C ATOM 1104 O GLY A 69 3.561 2.727 -3.850 1.00 0.00 O ATOM 0 H GLY A 69 2.309 4.549 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 69 4.924 5.180 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 69 4.719 5.625 -3.224 1.00 0.00 H new ATOM 1108 N ASN A 70 5.595 3.198 -3.004 1.00 0.00 N ATOM 1109 CA ASN A 70 5.852 1.851 -2.469 1.00 0.00 C ATOM 1110 C ASN A 70 5.065 1.643 -1.175 1.00 0.00 C ATOM 1111 O ASN A 70 4.899 2.580 -0.404 1.00 0.00 O ATOM 1112 CB ASN A 70 7.366 1.672 -2.240 1.00 0.00 C ATOM 1113 CG ASN A 70 8.175 1.687 -3.541 1.00 0.00 C ATOM 1114 OD1 ASN A 70 9.267 2.219 -3.579 1.00 0.00 O ATOM 1115 ND2 ASN A 70 7.662 1.073 -4.605 1.00 0.00 N ATOM 0 H ASN A 70 6.367 3.849 -2.862 1.00 0.00 H new ATOM 0 HA ASN A 70 5.520 1.099 -3.185 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.725 2.467 -1.586 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.540 0.729 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 70 8.188 1.041 -5.478 1.00 0.00 H new ATOM 0 HD22 ASN A 70 6.743 0.634 -4.547 1.00 0.00 H new ATOM 1122 N VAL A 71 4.541 0.423 -0.955 1.00 0.00 N ATOM 1123 CA VAL A 71 3.663 0.113 0.201 1.00 0.00 C ATOM 1124 C VAL A 71 4.078 -1.235 0.838 1.00 0.00 C ATOM 1125 O VAL A 71 4.501 -2.148 0.125 1.00 0.00 O ATOM 1126 CB VAL A 71 2.145 0.037 -0.254 1.00 0.00 C ATOM 1127 CG1 VAL A 71 1.184 -0.110 0.943 1.00 0.00 C ATOM 1128 CG2 VAL A 71 1.739 1.245 -1.134 1.00 0.00 C ATOM 0 H VAL A 71 4.710 -0.375 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 71 3.772 0.911 0.936 1.00 0.00 H new ATOM 0 HB VAL A 71 2.057 -0.863 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 71 0.157 -0.158 0.581 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.419 -1.024 1.489 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.295 0.748 1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.692 1.150 -1.422 1.00 0.00 H new ATOM 0 HG22 VAL A 71 1.879 2.168 -0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.360 1.268 -2.029 1.00 0.00 H new ATOM 1138 N ARG A 72 3.931 -1.352 2.181 1.00 0.00 N ATOM 1139 CA ARG A 72 4.109 -2.633 2.908 1.00 0.00 C ATOM 1140 C ARG A 72 2.755 -3.305 2.989 1.00 0.00 C ATOM 1141 O ARG A 72 1.843 -2.737 3.577 1.00 0.00 O ATOM 1142 CB ARG A 72 4.643 -2.438 4.366 1.00 0.00 C ATOM 1143 CG ARG A 72 6.111 -2.028 4.472 1.00 0.00 C ATOM 1144 CD ARG A 72 7.086 -3.081 3.914 1.00 0.00 C ATOM 1145 NE ARG A 72 8.473 -2.572 3.929 1.00 0.00 N ATOM 1146 CZ ARG A 72 9.571 -3.255 3.564 1.00 0.00 C ATOM 1147 NH1 ARG A 72 9.502 -4.534 3.215 1.00 0.00 N ATOM 1148 NH2 ARG A 72 10.743 -2.640 3.548 1.00 0.00 N ATOM 0 H ARG A 72 3.688 -0.568 2.786 1.00 0.00 H new ATOM 0 HA ARG A 72 4.845 -3.228 2.367 1.00 0.00 H new ATOM 0 HB2 ARG A 72 4.034 -1.681 4.860 1.00 0.00 H new ATOM 0 HB3 ARG A 72 4.502 -3.369 4.915 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.257 -1.090 3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 72 6.352 -1.839 5.518 1.00 0.00 H new ATOM 0 HD2 ARG A 72 7.022 -3.993 4.508 1.00 0.00 H new ATOM 0 HD3 ARG A 72 6.801 -3.343 2.895 1.00 0.00 H new ATOM 0 HE ARG A 72 8.610 -1.612 4.246 1.00 0.00 H new ATOM 0 HH11 ARG A 72 8.603 -5.016 3.221 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.348 -5.034 2.941 1.00 0.00 H new ATOM 0 HH21 ARG A 72 10.807 -1.657 3.811 1.00 0.00 H new ATOM 0 HH22 ARG A 72 11.583 -3.149 3.272 1.00 0.00 H new ATOM 1162 N VAL A 73 2.629 -4.505 2.424 1.00 0.00 N ATOM 1163 CA VAL A 73 1.379 -5.275 2.497 1.00 0.00 C ATOM 1164 C VAL A 73 1.231 -5.826 3.929 1.00 0.00 C ATOM 1165 O VAL A 73 2.122 -6.503 4.428 1.00 0.00 O ATOM 1166 CB VAL A 73 1.358 -6.432 1.432 1.00 0.00 C ATOM 1167 CG1 VAL A 73 0.041 -7.249 1.488 1.00 0.00 C ATOM 1168 CG2 VAL A 73 1.598 -5.853 0.019 1.00 0.00 C ATOM 0 H VAL A 73 3.377 -4.969 1.909 1.00 0.00 H new ATOM 0 HA VAL A 73 0.534 -4.626 2.267 1.00 0.00 H new ATOM 0 HB VAL A 73 2.166 -7.124 1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.070 -8.037 0.736 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.069 -7.695 2.477 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -0.805 -6.590 1.291 1.00 0.00 H new ATOM 0 HG21 VAL A 73 1.582 -6.661 -0.713 1.00 0.00 H new ATOM 0 HG22 VAL A 73 0.814 -5.134 -0.217 1.00 0.00 H new ATOM 0 HG23 VAL A 73 2.568 -5.356 -0.011 1.00 0.00 H new ATOM 1178 N THR A 74 0.122 -5.489 4.592 1.00 0.00 N ATOM 1179 CA THR A 74 -0.103 -5.802 6.013 1.00 0.00 C ATOM 1180 C THR A 74 -1.170 -6.904 6.154 1.00 0.00 C ATOM 1181 O THR A 74 -1.121 -7.724 7.074 1.00 0.00 O ATOM 1182 CB THR A 74 -0.539 -4.511 6.783 1.00 0.00 C ATOM 1183 OG1 THR A 74 -1.720 -3.951 6.170 1.00 0.00 O ATOM 1184 CG2 THR A 74 0.583 -3.450 6.805 1.00 0.00 C ATOM 0 H THR A 74 -0.653 -4.988 4.158 1.00 0.00 H new ATOM 0 HA THR A 74 0.827 -6.168 6.447 1.00 0.00 H new ATOM 0 HB THR A 74 -0.752 -4.796 7.813 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.990 -3.144 6.656 1.00 0.00 H new ATOM 0 HG21 THR A 74 0.241 -2.570 7.349 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.463 -3.862 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 74 0.838 -3.169 5.783 1.00 0.00 H new ATOM 1192 N SER A 75 -2.133 -6.903 5.222 1.00 0.00 N ATOM 1193 CA SER A 75 -3.229 -7.893 5.177 1.00 0.00 C ATOM 1194 C SER A 75 -2.891 -9.017 4.168 1.00 0.00 C ATOM 1195 O SER A 75 -1.802 -9.032 3.575 1.00 0.00 O ATOM 1196 CB SER A 75 -4.546 -7.166 4.801 1.00 0.00 C ATOM 1197 OG SER A 75 -5.685 -8.001 4.947 1.00 0.00 O ATOM 0 H SER A 75 -2.178 -6.213 4.472 1.00 0.00 H new ATOM 0 HA SER A 75 -3.354 -8.360 6.154 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.663 -6.283 5.430 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.484 -6.817 3.770 1.00 0.00 H new ATOM 0 HG SER A 75 -6.491 -7.501 4.701 1.00 0.00 H new ATOM 1203 N ARG A 76 -3.817 -9.980 4.004 1.00 0.00 N ATOM 1204 CA ARG A 76 -3.695 -11.050 2.996 1.00 0.00 C ATOM 1205 C ARG A 76 -4.107 -10.489 1.609 1.00 0.00 C ATOM 1206 O ARG A 76 -5.189 -9.897 1.489 1.00 0.00 O ATOM 1207 CB ARG A 76 -4.558 -12.291 3.378 1.00 0.00 C ATOM 1208 CG ARG A 76 -3.994 -13.172 4.524 1.00 0.00 C ATOM 1209 CD ARG A 76 -4.016 -12.497 5.905 1.00 0.00 C ATOM 1210 NE ARG A 76 -5.392 -12.205 6.355 1.00 0.00 N ATOM 1211 CZ ARG A 76 -5.931 -12.610 7.521 1.00 0.00 C ATOM 1212 NH1 ARG A 76 -5.250 -13.373 8.363 1.00 0.00 N ATOM 1213 NH2 ARG A 76 -7.164 -12.263 7.828 1.00 0.00 N ATOM 0 H ARG A 76 -4.668 -10.038 4.564 1.00 0.00 H new ATOM 0 HA ARG A 76 -2.658 -11.384 2.956 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -5.552 -11.946 3.664 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.680 -12.913 2.491 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -4.570 -14.096 4.574 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.968 -13.449 4.283 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -3.526 -13.144 6.633 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.443 -11.571 5.865 1.00 0.00 H new ATOM 0 HE ARG A 76 -5.982 -11.652 5.733 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.300 -13.664 8.133 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -5.676 -13.669 9.241 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -7.708 -11.689 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -7.575 -12.568 8.710 1.00 0.00 H new ATOM 1227 N PRO A 77 -3.261 -10.671 0.543 1.00 0.00 N ATOM 1228 CA PRO A 77 -3.488 -10.049 -0.785 1.00 0.00 C ATOM 1229 C PRO A 77 -4.714 -10.620 -1.543 1.00 0.00 C ATOM 1230 O PRO A 77 -4.692 -11.750 -2.042 1.00 0.00 O ATOM 1231 CB PRO A 77 -2.164 -10.326 -1.536 1.00 0.00 C ATOM 1232 CG PRO A 77 -1.632 -11.579 -0.908 1.00 0.00 C ATOM 1233 CD PRO A 77 -2.014 -11.491 0.552 1.00 0.00 C ATOM 0 HA PRO A 77 -3.727 -8.989 -0.698 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.334 -10.459 -2.604 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -1.464 -9.498 -1.425 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -2.063 -12.465 -1.374 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -0.551 -11.650 -1.027 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -2.187 -12.478 0.981 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -1.229 -11.020 1.144 1.00 0.00 H new ATOM 1241 N GLY A 78 -5.805 -9.835 -1.541 1.00 0.00 N ATOM 1242 CA GLY A 78 -7.001 -10.103 -2.354 1.00 0.00 C ATOM 1243 C GLY A 78 -7.864 -11.259 -1.866 1.00 0.00 C ATOM 1244 O GLY A 78 -8.919 -11.518 -2.452 1.00 0.00 O ATOM 0 H GLY A 78 -5.881 -8.992 -0.972 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -7.612 -9.201 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -6.688 -10.310 -3.377 1.00 0.00 H new ATOM 1248 N GLN A 79 -7.447 -11.921 -0.768 1.00 0.00 N ATOM 1249 CA GLN A 79 -8.095 -13.151 -0.268 1.00 0.00 C ATOM 1250 C GLN A 79 -9.510 -12.871 0.267 1.00 0.00 C ATOM 1251 O GLN A 79 -10.452 -13.615 -0.019 1.00 0.00 O ATOM 1252 CB GLN A 79 -7.211 -13.811 0.825 1.00 0.00 C ATOM 1253 CG GLN A 79 -5.808 -14.232 0.345 1.00 0.00 C ATOM 1254 CD GLN A 79 -5.848 -15.295 -0.758 1.00 0.00 C ATOM 1255 OE1 GLN A 79 -5.871 -16.494 -0.482 1.00 0.00 O ATOM 1256 NE2 GLN A 79 -5.855 -14.870 -2.009 1.00 0.00 N ATOM 0 H GLN A 79 -6.653 -11.619 -0.204 1.00 0.00 H new ATOM 0 HA GLN A 79 -8.198 -13.842 -1.104 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -7.103 -13.114 1.656 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.728 -14.690 1.211 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.277 -13.354 -0.023 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -5.240 -14.616 1.192 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -5.835 -13.870 -2.208 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -5.880 -15.542 -2.776 1.00 0.00 H new ATOM 1265 N ASP A 80 -9.645 -11.779 1.027 1.00 0.00 N ATOM 1266 CA ASP A 80 -10.948 -11.303 1.559 1.00 0.00 C ATOM 1267 C ASP A 80 -11.636 -10.336 0.550 1.00 0.00 C ATOM 1268 O ASP A 80 -12.737 -9.821 0.796 1.00 0.00 O ATOM 1269 CB ASP A 80 -10.681 -10.637 2.938 1.00 0.00 C ATOM 1270 CG ASP A 80 -11.937 -10.133 3.673 1.00 0.00 C ATOM 1271 OD1 ASP A 80 -12.611 -10.932 4.361 1.00 0.00 O ATOM 1272 OD2 ASP A 80 -12.257 -8.935 3.579 1.00 0.00 O ATOM 0 H ASP A 80 -8.857 -11.191 1.297 1.00 0.00 H new ATOM 0 HA ASP A 80 -11.640 -12.134 1.694 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -10.168 -11.355 3.578 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -10.002 -9.797 2.793 1.00 0.00 H new ATOM 1277 N GLY A 81 -11.005 -10.159 -0.622 1.00 0.00 N ATOM 1278 CA GLY A 81 -11.418 -9.151 -1.597 1.00 0.00 C ATOM 1279 C GLY A 81 -10.868 -7.789 -1.221 1.00 0.00 C ATOM 1280 O GLY A 81 -11.520 -6.764 -1.405 1.00 0.00 O ATOM 0 H GLY A 81 -10.198 -10.711 -0.914 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.065 -9.431 -2.589 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -12.506 -9.109 -1.646 1.00 0.00 H new ATOM 1284 N VAL A 82 -9.638 -7.812 -0.698 1.00 0.00 N ATOM 1285 CA VAL A 82 -8.966 -6.622 -0.169 1.00 0.00 C ATOM 1286 C VAL A 82 -7.461 -6.881 -0.061 1.00 0.00 C ATOM 1287 O VAL A 82 -7.034 -7.986 0.292 1.00 0.00 O ATOM 1288 CB VAL A 82 -9.561 -6.176 1.227 1.00 0.00 C ATOM 1289 CG1 VAL A 82 -9.313 -7.222 2.341 1.00 0.00 C ATOM 1290 CG2 VAL A 82 -9.042 -4.784 1.644 1.00 0.00 C ATOM 0 H VAL A 82 -9.078 -8.662 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 82 -9.140 -5.801 -0.864 1.00 0.00 H new ATOM 0 HB VAL A 82 -10.641 -6.107 1.094 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -9.742 -6.865 3.277 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -9.781 -8.166 2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -8.241 -7.372 2.467 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -9.471 -4.509 2.608 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -7.955 -4.810 1.725 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.332 -4.048 0.894 1.00 0.00 H new ATOM 1300 N ILE A 83 -6.666 -5.862 -0.398 1.00 0.00 N ATOM 1301 CA ILE A 83 -5.234 -5.801 -0.079 1.00 0.00 C ATOM 1302 C ILE A 83 -5.069 -4.523 0.750 1.00 0.00 C ATOM 1303 O ILE A 83 -5.567 -3.469 0.346 1.00 0.00 O ATOM 1304 CB ILE A 83 -4.301 -5.730 -1.364 1.00 0.00 C ATOM 1305 CG1 ILE A 83 -4.701 -6.809 -2.424 1.00 0.00 C ATOM 1306 CG2 ILE A 83 -2.803 -5.876 -0.968 1.00 0.00 C ATOM 1307 CD1 ILE A 83 -3.882 -6.791 -3.710 1.00 0.00 C ATOM 0 H ILE A 83 -7.002 -5.044 -0.907 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.930 -6.707 0.445 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.443 -4.750 -1.820 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.610 -7.795 -1.968 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.752 -6.672 -2.679 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.183 -5.824 -1.863 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.526 -5.070 -0.288 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.649 -6.836 -0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.237 -7.576 -4.378 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.991 -5.822 -4.197 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.832 -6.962 -3.475 1.00 0.00 H new ATOM 1319 N ASN A 84 -4.430 -4.608 1.916 1.00 0.00 N ATOM 1320 CA ASN A 84 -4.193 -3.432 2.789 1.00 0.00 C ATOM 1321 C ASN A 84 -2.706 -3.250 3.003 1.00 0.00 C ATOM 1322 O ASN A 84 -1.938 -4.218 2.902 1.00 0.00 O ATOM 1323 CB ASN A 84 -4.915 -3.586 4.157 1.00 0.00 C ATOM 1324 CG ASN A 84 -6.431 -3.544 4.047 1.00 0.00 C ATOM 1325 OD1 ASN A 84 -6.983 -2.824 3.225 1.00 0.00 O ATOM 1326 ND2 ASN A 84 -7.121 -4.324 4.864 1.00 0.00 N ATOM 0 H ASN A 84 -4.060 -5.482 2.291 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.602 -2.551 2.294 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -4.617 -4.530 4.613 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -4.584 -2.791 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.140 -4.336 4.819 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -6.634 -4.913 5.539 1.00 0.00 H new ATOM 1333 N GLY A 85 -2.306 -2.005 3.267 1.00 0.00 N ATOM 1334 CA GLY A 85 -0.930 -1.698 3.590 1.00 0.00 C ATOM 1335 C GLY A 85 -0.715 -0.261 4.027 1.00 0.00 C ATOM 1336 O GLY A 85 -1.657 0.526 4.073 1.00 0.00 O ATOM 0 H GLY A 85 -2.927 -1.196 3.261 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -0.595 -2.365 4.384 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -0.307 -1.901 2.719 1.00 0.00 H new ATOM 1340 N VAL A 86 0.549 0.070 4.345 1.00 0.00 N ATOM 1341 CA VAL A 86 0.965 1.418 4.793 1.00 0.00 C ATOM 1342 C VAL A 86 2.069 1.962 3.870 1.00 0.00 C ATOM 1343 O VAL A 86 2.984 1.216 3.488 1.00 0.00 O ATOM 1344 CB VAL A 86 1.430 1.414 6.304 1.00 0.00 C ATOM 1345 CG1 VAL A 86 0.233 1.120 7.243 1.00 0.00 C ATOM 1346 CG2 VAL A 86 2.588 0.408 6.547 1.00 0.00 C ATOM 0 H VAL A 86 1.321 -0.595 4.299 1.00 0.00 H new ATOM 0 HA VAL A 86 0.101 2.080 4.730 1.00 0.00 H new ATOM 0 HB VAL A 86 1.812 2.408 6.534 1.00 0.00 H new ATOM 0 HG11 VAL A 86 0.574 1.122 8.278 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -0.530 1.887 7.111 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -0.188 0.144 7.001 1.00 0.00 H new ATOM 0 HG21 VAL A 86 2.879 0.435 7.597 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.257 -0.598 6.288 1.00 0.00 H new ATOM 0 HG23 VAL A 86 3.442 0.680 5.927 1.00 0.00 H new ATOM 1356 N LEU A 87 1.955 3.249 3.485 1.00 0.00 N ATOM 1357 CA LEU A 87 2.863 3.879 2.508 1.00 0.00 C ATOM 1358 C LEU A 87 4.300 3.989 3.072 1.00 0.00 C ATOM 1359 O LEU A 87 4.506 4.376 4.225 1.00 0.00 O ATOM 1360 CB LEU A 87 2.334 5.281 2.090 1.00 0.00 C ATOM 1361 CG LEU A 87 3.048 5.960 0.870 1.00 0.00 C ATOM 1362 CD1 LEU A 87 2.924 5.106 -0.411 1.00 0.00 C ATOM 1363 CD2 LEU A 87 2.505 7.384 0.624 1.00 0.00 C ATOM 0 H LEU A 87 1.235 3.877 3.841 1.00 0.00 H new ATOM 0 HA LEU A 87 2.895 3.243 1.623 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.273 5.191 1.858 1.00 0.00 H new ATOM 0 HB3 LEU A 87 2.417 5.947 2.949 1.00 0.00 H new ATOM 0 HG LEU A 87 4.106 6.036 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 87 3.431 5.609 -1.234 1.00 0.00 H new ATOM 0 HD12 LEU A 87 3.382 4.131 -0.244 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.871 4.974 -0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.020 7.828 -0.228 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.436 7.335 0.417 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.675 7.996 1.510 1.00 0.00 H new ATOM 1375 N ILE A 88 5.273 3.613 2.239 1.00 0.00 N ATOM 1376 CA ILE A 88 6.712 3.626 2.565 1.00 0.00 C ATOM 1377 C ILE A 88 7.503 4.233 1.389 1.00 0.00 C ATOM 1378 O ILE A 88 6.939 4.536 0.325 1.00 0.00 O ATOM 1379 CB ILE A 88 7.259 2.177 2.870 1.00 0.00 C ATOM 1380 CG1 ILE A 88 7.074 1.265 1.616 1.00 0.00 C ATOM 1381 CG2 ILE A 88 6.582 1.571 4.128 1.00 0.00 C ATOM 1382 CD1 ILE A 88 7.588 -0.146 1.736 1.00 0.00 C ATOM 0 H ILE A 88 5.083 3.282 1.293 1.00 0.00 H new ATOM 0 HA ILE A 88 6.843 4.231 3.462 1.00 0.00 H new ATOM 0 HB ILE A 88 8.325 2.244 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 88 6.011 1.223 1.377 1.00 0.00 H new ATOM 0 HG13 ILE A 88 7.572 1.740 0.771 1.00 0.00 H new ATOM 0 HG21 ILE A 88 6.981 0.573 4.311 1.00 0.00 H new ATOM 0 HG22 ILE A 88 6.783 2.206 4.991 1.00 0.00 H new ATOM 0 HG23 ILE A 88 5.506 1.508 3.967 1.00 0.00 H new ATOM 0 HD11 ILE A 88 7.403 -0.681 0.804 1.00 0.00 H new ATOM 0 HD12 ILE A 88 8.659 -0.127 1.937 1.00 0.00 H new ATOM 0 HD13 ILE A 88 7.074 -0.652 2.553 1.00 0.00 H new ATOM 1394 N ARG A 89 8.823 4.401 1.592 1.00 0.00 N ATOM 1395 CA ARG A 89 9.719 5.039 0.615 1.00 0.00 C ATOM 1396 C ARG A 89 10.963 4.148 0.406 1.00 0.00 C ATOM 1397 O ARG A 89 11.981 4.331 1.080 1.00 0.00 O ATOM 1398 CB ARG A 89 10.108 6.463 1.133 1.00 0.00 C ATOM 1399 CG ARG A 89 8.902 7.366 1.504 1.00 0.00 C ATOM 1400 CD ARG A 89 9.309 8.659 2.229 1.00 0.00 C ATOM 1401 NE ARG A 89 8.134 9.447 2.641 1.00 0.00 N ATOM 1402 CZ ARG A 89 7.951 10.757 2.421 1.00 0.00 C ATOM 1403 NH1 ARG A 89 8.857 11.469 1.757 1.00 0.00 N ATOM 1404 NH2 ARG A 89 6.868 11.356 2.879 1.00 0.00 N ATOM 0 H ARG A 89 9.298 4.096 2.442 1.00 0.00 H new ATOM 0 HA ARG A 89 9.221 5.151 -0.348 1.00 0.00 H new ATOM 0 HB2 ARG A 89 10.747 6.355 2.009 1.00 0.00 H new ATOM 0 HB3 ARG A 89 10.699 6.965 0.367 1.00 0.00 H new ATOM 0 HG2 ARG A 89 8.357 7.623 0.596 1.00 0.00 H new ATOM 0 HG3 ARG A 89 8.217 6.803 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 89 9.907 8.411 3.106 1.00 0.00 H new ATOM 0 HD3 ARG A 89 9.939 9.261 1.574 1.00 0.00 H new ATOM 0 HE ARG A 89 7.394 8.952 3.138 1.00 0.00 H new ATOM 0 HH11 ARG A 89 9.703 11.019 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 89 8.705 12.465 1.596 1.00 0.00 H new ATOM 0 HH21 ARG A 89 6.172 10.823 3.400 1.00 0.00 H new ATOM 0 HH22 ARG A 89 6.727 12.352 2.713 1.00 0.00 H new ATOM 1418 N GLU A 90 10.848 3.139 -0.487 1.00 0.00 N ATOM 1419 CA GLU A 90 11.972 2.238 -0.841 1.00 0.00 C ATOM 1420 C GLU A 90 12.645 2.765 -2.119 1.00 0.00 C ATOM 1421 O GLU A 90 13.705 3.395 -2.073 1.00 0.00 O ATOM 1422 CB GLU A 90 11.478 0.772 -1.036 1.00 0.00 C ATOM 1423 CG GLU A 90 10.671 0.194 0.138 1.00 0.00 C ATOM 1424 CD GLU A 90 11.387 0.262 1.502 1.00 0.00 C ATOM 1425 OE1 GLU A 90 12.368 -0.479 1.709 1.00 0.00 O ATOM 1426 OE2 GLU A 90 10.968 1.058 2.374 1.00 0.00 O ATOM 0 H GLU A 90 9.981 2.926 -0.980 1.00 0.00 H new ATOM 0 HA GLU A 90 12.695 2.227 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.863 0.729 -1.935 1.00 0.00 H new ATOM 0 HB3 GLU A 90 12.344 0.133 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 90 9.725 0.731 0.211 1.00 0.00 H new ATOM 0 HG3 GLU A 90 10.431 -0.847 -0.080 1.00 0.00 H new ATOM 1433 N LEU A 91 11.991 2.514 -3.257 1.00 0.00 N ATOM 1434 CA LEU A 91 12.329 3.115 -4.546 1.00 0.00 C ATOM 1435 C LEU A 91 11.620 4.474 -4.615 1.00 0.00 C ATOM 1436 O LEU A 91 10.425 4.538 -4.933 1.00 0.00 O ATOM 1437 CB LEU A 91 11.862 2.180 -5.701 1.00 0.00 C ATOM 1438 CG LEU A 91 12.481 0.748 -5.709 1.00 0.00 C ATOM 1439 CD1 LEU A 91 11.805 -0.149 -6.768 1.00 0.00 C ATOM 1440 CD2 LEU A 91 14.014 0.798 -5.917 1.00 0.00 C ATOM 0 H LEU A 91 11.197 1.875 -3.307 1.00 0.00 H new ATOM 0 HA LEU A 91 13.406 3.251 -4.649 1.00 0.00 H new ATOM 0 HB2 LEU A 91 10.777 2.086 -5.651 1.00 0.00 H new ATOM 0 HB3 LEU A 91 12.096 2.662 -6.650 1.00 0.00 H new ATOM 0 HG LEU A 91 12.294 0.305 -4.731 1.00 0.00 H new ATOM 0 HD11 LEU A 91 12.259 -1.140 -6.749 1.00 0.00 H new ATOM 0 HD12 LEU A 91 10.741 -0.233 -6.548 1.00 0.00 H new ATOM 0 HD13 LEU A 91 11.938 0.291 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 91 14.414 -0.216 -5.918 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.236 1.276 -6.871 1.00 0.00 H new ATOM 0 HD23 LEU A 91 14.472 1.369 -5.109 1.00 0.00 H new