USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 35 GLN : amide:sc= 0.49 K(o=0.49,f=-2.9!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0207 USER MOD Single : A 47 TYR OH : rot 108:sc= 1.81 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -50:sc= 0.0292 USER MOD Single : A 61 CYS SG : rot 20:sc= -13.5! USER MOD Single : A 64 GLN : amide:sc= -1.82! K(o=-1.8!,f=-0.79) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -2.89! K(o=-2.9!,f=-1.5) USER MOD Single : A 76 LYS NZ :NH3+ 138:sc= -1.7! (180deg=-4.17!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 375 N LEU A 31 8.943 3.396 -2.077 1.00 0.00 N ATOM 376 CA LEU A 31 7.716 3.799 -1.384 1.00 0.00 C ATOM 377 C LEU A 31 7.906 5.150 -0.696 1.00 0.00 C ATOM 378 O LEU A 31 8.777 5.303 0.167 1.00 0.00 O ATOM 379 CB LEU A 31 7.303 2.721 -0.359 1.00 0.00 C ATOM 380 CG LEU A 31 6.336 1.608 -0.849 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.286 2.136 -1.818 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.098 0.456 -1.486 1.00 0.00 C ATOM 0 HA LEU A 31 6.919 3.901 -2.121 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.209 2.242 0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.838 3.223 0.490 1.00 0.00 H new ATOM 0 HG LEU A 31 5.816 1.242 0.037 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.636 1.319 -2.130 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.691 2.906 -1.326 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.779 2.562 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.394 -0.306 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.665 0.824 -2.341 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.782 0.024 -0.755 1.00 0.00 H new ATOM 394 N TRP A 32 7.081 6.129 -1.099 1.00 0.00 N ATOM 395 CA TRP A 32 7.138 7.493 -0.550 1.00 0.00 C ATOM 396 C TRP A 32 5.739 8.121 -0.514 1.00 0.00 C ATOM 397 O TRP A 32 4.841 7.674 -1.231 1.00 0.00 O ATOM 398 CB TRP A 32 8.115 8.377 -1.368 1.00 0.00 C ATOM 399 CG TRP A 32 7.733 8.582 -2.814 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.729 7.640 -3.803 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.306 9.809 -3.429 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.320 8.200 -4.987 1.00 0.00 N ATOM 403 CE2 TRP A 32 7.058 9.529 -4.786 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.107 11.118 -2.967 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.623 10.502 -5.682 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.676 12.082 -3.859 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.438 11.769 -5.203 1.00 0.00 C ATOM 0 H TRP A 32 6.361 5.999 -1.809 1.00 0.00 H new ATOM 0 HA TRP A 32 7.512 7.432 0.472 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.189 9.352 -0.886 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.107 7.926 -1.330 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.007 6.605 -3.672 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.226 7.706 -5.874 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.287 11.369 -1.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.438 10.264 -6.719 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.520 13.093 -3.514 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.101 12.545 -5.875 1.00 0.00 H new ATOM 418 N GLU A 33 5.573 9.179 0.299 1.00 0.00 N ATOM 419 CA GLU A 33 4.283 9.876 0.435 1.00 0.00 C ATOM 420 C GLU A 33 3.859 10.543 -0.881 1.00 0.00 C ATOM 421 O GLU A 33 4.537 11.450 -1.378 1.00 0.00 O ATOM 422 CB GLU A 33 4.359 10.915 1.558 1.00 0.00 C ATOM 423 CG GLU A 33 4.184 10.323 2.948 1.00 0.00 C ATOM 424 CD GLU A 33 4.068 11.385 4.023 1.00 0.00 C ATOM 425 OE1 GLU A 33 2.942 11.868 4.261 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 5.106 11.735 4.625 1.00 0.00 O ATOM 0 H GLU A 33 6.319 9.571 0.873 1.00 0.00 H new ATOM 0 HA GLU A 33 3.527 9.132 0.687 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.322 11.423 1.507 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.591 11.671 1.395 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.292 9.697 2.963 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.031 9.675 3.172 1.00 0.00 H new ATOM 433 N GLY A 34 2.738 10.066 -1.433 1.00 0.00 N ATOM 434 CA GLY A 34 2.216 10.585 -2.689 1.00 0.00 C ATOM 435 C GLY A 34 2.667 9.760 -3.879 1.00 0.00 C ATOM 436 O GLY A 34 2.820 10.290 -4.984 1.00 0.00 O ATOM 0 H GLY A 34 2.178 9.319 -1.023 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.127 10.599 -2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.544 11.616 -2.819 1.00 0.00 H new ATOM 440 N GLN A 35 2.879 8.458 -3.645 1.00 0.00 N ATOM 441 CA GLN A 35 3.316 7.540 -4.687 1.00 0.00 C ATOM 442 C GLN A 35 2.129 6.707 -5.167 1.00 0.00 C ATOM 443 O GLN A 35 1.497 6.006 -4.370 1.00 0.00 O ATOM 444 CB GLN A 35 4.462 6.650 -4.140 1.00 0.00 C ATOM 445 CG GLN A 35 4.662 5.303 -4.853 1.00 0.00 C ATOM 446 CD GLN A 35 5.919 5.249 -5.701 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.209 6.163 -6.478 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.666 4.161 -5.567 1.00 0.00 N ATOM 0 H GLN A 35 2.751 8.021 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 35 3.700 8.095 -5.543 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.394 7.213 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.274 6.456 -3.084 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.701 4.509 -4.108 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.797 5.104 -5.486 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.389 3.429 -4.912 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.518 4.056 -6.118 1.00 0.00 H new ATOM 457 N ASP A 36 1.827 6.794 -6.472 1.00 0.00 N ATOM 458 CA ASP A 36 0.729 6.020 -7.058 1.00 0.00 C ATOM 459 C ASP A 36 1.138 4.551 -7.108 1.00 0.00 C ATOM 460 O ASP A 36 2.028 4.160 -7.873 1.00 0.00 O ATOM 461 CB ASP A 36 0.351 6.539 -8.449 1.00 0.00 C ATOM 462 CG ASP A 36 -0.338 7.890 -8.400 1.00 0.00 C ATOM 463 OD1 ASP A 36 -1.574 7.921 -8.223 1.00 0.00 O1- ATOM 464 OD2 ASP A 36 0.359 8.916 -8.537 1.00 0.00 O ATOM 0 H ASP A 36 2.325 7.389 -7.134 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.159 6.131 -6.435 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.250 6.616 -9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.306 5.818 -8.936 1.00 0.00 H new ATOM 469 N VAL A 37 0.480 3.761 -6.270 1.00 0.00 N ATOM 470 CA VAL A 37 0.786 2.343 -6.136 1.00 0.00 C ATOM 471 C VAL A 37 -0.359 1.449 -6.587 1.00 0.00 C ATOM 472 O VAL A 37 -1.505 1.892 -6.717 1.00 0.00 O ATOM 473 CB VAL A 37 1.127 1.981 -4.659 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.472 2.568 -4.256 1.00 0.00 C ATOM 475 CG2 VAL A 37 0.015 2.419 -3.686 1.00 0.00 C ATOM 0 H VAL A 37 -0.277 4.083 -5.667 1.00 0.00 H new ATOM 0 HA VAL A 37 1.646 2.166 -6.782 1.00 0.00 H new ATOM 0 HB VAL A 37 1.195 0.895 -4.597 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.689 2.303 -3.221 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.252 2.169 -4.905 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.439 3.653 -4.353 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.294 2.147 -2.668 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.119 3.499 -3.749 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.918 1.921 -3.952 1.00 0.00 H new ATOM 485 N LEU A 38 -0.014 0.187 -6.819 1.00 0.00 N ATOM 486 CA LEU A 38 -0.974 -0.821 -7.211 1.00 0.00 C ATOM 487 C LEU A 38 -1.020 -1.890 -6.138 1.00 0.00 C ATOM 488 O LEU A 38 -0.146 -2.761 -6.050 1.00 0.00 O ATOM 489 CB LEU A 38 -0.609 -1.401 -8.582 1.00 0.00 C ATOM 490 CG LEU A 38 -0.705 -0.413 -9.751 1.00 0.00 C ATOM 491 CD1 LEU A 38 0.012 -0.960 -10.974 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.157 -0.111 -10.076 1.00 0.00 C ATOM 0 H LEU A 38 0.942 -0.159 -6.739 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.966 -0.381 -7.307 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.409 -1.789 -8.536 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.264 -2.248 -8.787 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.218 0.516 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.067 -0.245 -11.793 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.063 -1.124 -10.736 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.445 -1.904 -11.272 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.205 0.592 -10.908 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.668 -1.034 -10.351 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.642 0.326 -9.203 1.00 0.00 H new ATOM 504 N ALA A 39 -2.056 -1.790 -5.314 1.00 0.00 N ATOM 505 CA ALA A 39 -2.279 -2.706 -4.213 1.00 0.00 C ATOM 506 C ALA A 39 -3.172 -3.854 -4.674 1.00 0.00 C ATOM 507 O ALA A 39 -4.369 -3.676 -4.912 1.00 0.00 O ATOM 508 CB ALA A 39 -2.894 -1.946 -3.043 1.00 0.00 C ATOM 0 H ALA A 39 -2.768 -1.064 -5.396 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.334 -3.134 -3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.063 -2.631 -2.213 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.215 -1.154 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.843 -1.509 -3.352 1.00 0.00 H new ATOM 514 N ARG A 40 -2.565 -5.029 -4.825 1.00 0.00 N ATOM 515 CA ARG A 40 -3.271 -6.229 -5.277 1.00 0.00 C ATOM 516 C ARG A 40 -4.235 -6.747 -4.203 1.00 0.00 C ATOM 517 O ARG A 40 -3.844 -6.924 -3.044 1.00 0.00 O ATOM 518 CB ARG A 40 -2.245 -7.313 -5.618 1.00 0.00 C ATOM 519 CG ARG A 40 -2.455 -7.993 -6.969 1.00 0.00 C ATOM 520 CD ARG A 40 -3.414 -9.172 -6.871 1.00 0.00 C ATOM 521 NE ARG A 40 -2.710 -10.436 -6.628 1.00 0.00 N ATOM 522 CZ ARG A 40 -2.669 -11.468 -7.485 1.00 0.00 C ATOM 523 NH1 ARG A 40 -3.289 -11.413 -8.663 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -2.001 -12.565 -7.156 1.00 0.00 N ATOM 0 H ARG A 40 -1.573 -5.178 -4.639 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.859 -5.975 -6.159 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.250 -6.869 -5.602 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.268 -8.073 -4.837 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.844 -7.268 -7.683 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.495 -8.337 -7.355 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.126 -8.993 -6.066 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.989 -9.249 -7.794 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.215 -10.538 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -3.807 -10.575 -8.928 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.245 -12.209 -9.300 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.523 -12.620 -6.257 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -1.965 -13.353 -7.802 1.00 0.00 H new ATOM 538 N TRP A 41 -5.491 -6.983 -4.601 1.00 0.00 N ATOM 539 CA TRP A 41 -6.519 -7.477 -3.682 1.00 0.00 C ATOM 540 C TRP A 41 -6.556 -9.015 -3.668 1.00 0.00 C ATOM 541 O TRP A 41 -6.124 -9.665 -4.626 1.00 0.00 O ATOM 542 CB TRP A 41 -7.887 -6.863 -4.040 1.00 0.00 C ATOM 543 CG TRP A 41 -8.979 -7.079 -3.010 1.00 0.00 C ATOM 544 CD1 TRP A 41 -8.855 -7.102 -1.643 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.367 -7.292 -3.282 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.080 -7.324 -1.061 1.00 0.00 N ATOM 547 CE2 TRP A 41 -11.024 -7.443 -2.046 1.00 0.00 C ATOM 548 CE3 TRP A 41 -11.114 -7.371 -4.454 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.397 -7.666 -1.956 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.476 -7.593 -4.367 1.00 0.00 C ATOM 551 CH2 TRP A 41 -13.105 -7.738 -3.124 1.00 0.00 C ATOM 0 H TRP A 41 -5.819 -6.839 -5.556 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.269 -7.162 -2.669 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.758 -5.791 -4.191 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.218 -7.281 -4.991 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.929 -6.965 -1.103 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.257 -7.389 -0.059 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.637 -7.261 -5.417 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -12.884 -7.778 -0.999 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.064 -7.656 -5.271 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.171 -7.910 -3.087 1.00 0.00 H new ATOM 562 N THR A 42 -7.081 -9.576 -2.566 1.00 0.00 N ATOM 563 CA THR A 42 -7.156 -11.038 -2.358 1.00 0.00 C ATOM 564 C THR A 42 -8.150 -11.756 -3.284 1.00 0.00 C ATOM 565 O THR A 42 -8.170 -12.991 -3.326 1.00 0.00 O ATOM 566 CB THR A 42 -7.528 -11.371 -0.896 1.00 0.00 C ATOM 567 OG1 THR A 42 -8.594 -10.523 -0.448 1.00 0.00 O ATOM 568 CG2 THR A 42 -6.327 -11.210 0.026 1.00 0.00 C ATOM 0 H THR A 42 -7.466 -9.033 -1.793 1.00 0.00 H new ATOM 0 HA THR A 42 -6.158 -11.403 -2.600 1.00 0.00 H new ATOM 0 HB THR A 42 -7.854 -12.411 -0.864 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.821 -10.745 0.479 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.618 -11.451 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.531 -11.883 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.971 -10.181 -0.017 1.00 0.00 H new ATOM 576 N ASP A 43 -8.962 -10.992 -4.024 1.00 0.00 N ATOM 577 CA ASP A 43 -9.951 -11.576 -4.939 1.00 0.00 C ATOM 578 C ASP A 43 -9.387 -11.751 -6.355 1.00 0.00 C ATOM 579 O ASP A 43 -10.014 -12.398 -7.200 1.00 0.00 O ATOM 580 CB ASP A 43 -11.209 -10.707 -4.985 1.00 0.00 C ATOM 581 CG ASP A 43 -12.154 -10.998 -3.835 1.00 0.00 C ATOM 582 OD1 ASP A 43 -11.827 -10.620 -2.689 1.00 0.00 O ATOM 583 OD2 ASP A 43 -13.219 -11.601 -4.079 1.00 0.00 O1- ATOM 0 H ASP A 43 -8.954 -9.972 -4.008 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.205 -12.564 -4.556 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.922 -9.656 -4.959 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.728 -10.873 -5.929 1.00 0.00 H new ATOM 588 N GLY A 44 -8.201 -11.180 -6.598 1.00 0.00 N ATOM 589 CA GLY A 44 -7.566 -11.279 -7.906 1.00 0.00 C ATOM 590 C GLY A 44 -7.528 -9.954 -8.652 1.00 0.00 C ATOM 591 O GLY A 44 -6.785 -9.815 -9.628 1.00 0.00 O ATOM 0 H GLY A 44 -7.669 -10.650 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.548 -11.649 -7.782 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.101 -12.013 -8.508 1.00 0.00 H new ATOM 595 N LEU A 45 -8.329 -8.984 -8.190 1.00 0.00 N ATOM 596 CA LEU A 45 -8.396 -7.661 -8.808 1.00 0.00 C ATOM 597 C LEU A 45 -7.382 -6.704 -8.181 1.00 0.00 C ATOM 598 O LEU A 45 -7.056 -6.818 -6.996 1.00 0.00 O ATOM 599 CB LEU A 45 -9.806 -7.084 -8.677 1.00 0.00 C ATOM 600 CG LEU A 45 -10.855 -7.734 -9.579 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.076 -8.143 -8.771 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.249 -6.786 -10.701 1.00 0.00 C ATOM 0 H LEU A 45 -8.943 -9.097 -7.383 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.151 -7.774 -9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.128 -7.183 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.768 -6.017 -8.899 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.422 -8.631 -10.021 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.811 -8.604 -9.431 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.781 -8.857 -8.002 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.513 -7.262 -8.300 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.997 -7.263 -11.335 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.663 -5.872 -10.276 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.370 -6.543 -11.297 1.00 0.00 H new ATOM 614 N LEU A 46 -6.893 -5.768 -8.998 1.00 0.00 N ATOM 615 CA LEU A 46 -5.910 -4.769 -8.573 1.00 0.00 C ATOM 616 C LEU A 46 -6.596 -3.528 -7.980 1.00 0.00 C ATOM 617 O LEU A 46 -7.793 -3.311 -8.189 1.00 0.00 O ATOM 618 CB LEU A 46 -5.056 -4.376 -9.792 1.00 0.00 C ATOM 619 CG LEU A 46 -3.812 -3.521 -9.539 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.753 -4.285 -8.753 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.265 -3.064 -10.874 1.00 0.00 C ATOM 0 H LEU A 46 -7.169 -5.682 -9.976 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.279 -5.195 -7.793 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.738 -5.292 -10.289 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.696 -3.839 -10.492 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.089 -2.658 -8.934 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.886 -3.644 -8.594 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.163 -4.587 -7.789 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.452 -5.170 -9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.377 -2.453 -10.713 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.003 -3.934 -11.477 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.021 -2.476 -11.395 1.00 0.00 H new ATOM 633 N TYR A 47 -5.807 -2.712 -7.265 1.00 0.00 N ATOM 634 CA TYR A 47 -6.295 -1.487 -6.630 1.00 0.00 C ATOM 635 C TYR A 47 -5.293 -0.355 -6.867 1.00 0.00 C ATOM 636 O TYR A 47 -4.100 -0.517 -6.600 1.00 0.00 O ATOM 637 CB TYR A 47 -6.465 -1.679 -5.104 1.00 0.00 C ATOM 638 CG TYR A 47 -7.696 -2.443 -4.599 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.698 -2.936 -5.438 1.00 0.00 C ATOM 640 CD2 TYR A 47 -7.851 -2.644 -3.231 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.803 -3.593 -4.929 1.00 0.00 C ATOM 642 CE2 TYR A 47 -8.949 -3.305 -2.718 1.00 0.00 C ATOM 643 CZ TYR A 47 -9.923 -3.774 -3.570 1.00 0.00 C ATOM 644 OH TYR A 47 -11.025 -4.418 -3.059 1.00 0.00 O ATOM 0 H TYR A 47 -4.814 -2.886 -7.113 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.263 -1.243 -7.068 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.579 -2.194 -4.733 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.475 -0.691 -4.644 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.608 -2.801 -6.506 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.095 -2.274 -2.555 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.569 -3.963 -5.595 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.043 -3.454 -1.652 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.766 -5.309 -2.743 1.00 0.00 H new ATOM 654 N LEU A 48 -5.777 0.785 -7.377 1.00 0.00 N ATOM 655 CA LEU A 48 -4.917 1.945 -7.624 1.00 0.00 C ATOM 656 C LEU A 48 -4.994 2.902 -6.437 1.00 0.00 C ATOM 657 O LEU A 48 -6.089 3.278 -6.007 1.00 0.00 O ATOM 658 CB LEU A 48 -5.310 2.651 -8.943 1.00 0.00 C ATOM 659 CG LEU A 48 -4.541 3.946 -9.290 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.116 3.644 -9.741 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.283 4.725 -10.365 1.00 0.00 C ATOM 0 H LEU A 48 -6.756 0.927 -7.625 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.886 1.608 -7.732 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.174 1.944 -9.762 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.373 2.887 -8.899 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.482 4.554 -8.387 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.604 4.577 -9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.583 3.129 -8.942 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.142 3.010 -10.627 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.732 5.635 -10.601 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.373 4.112 -11.262 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.277 4.987 -10.004 1.00 0.00 H new ATOM 673 N GLY A 49 -3.825 3.284 -5.920 1.00 0.00 N ATOM 674 CA GLY A 49 -3.776 4.174 -4.771 1.00 0.00 C ATOM 675 C GLY A 49 -2.569 5.090 -4.747 1.00 0.00 C ATOM 676 O GLY A 49 -1.743 5.071 -5.657 1.00 0.00 O ATOM 0 H GLY A 49 -2.914 2.993 -6.276 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.680 4.782 -4.758 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.782 3.575 -3.861 1.00 0.00 H new ATOM 680 N THR A 50 -2.507 5.914 -3.698 1.00 0.00 N ATOM 681 CA THR A 50 -1.402 6.845 -3.475 1.00 0.00 C ATOM 682 C THR A 50 -0.943 6.715 -2.032 1.00 0.00 C ATOM 683 O THR A 50 -1.760 6.742 -1.109 1.00 0.00 O ATOM 684 CB THR A 50 -1.769 8.315 -3.777 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.065 8.402 -4.389 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.727 8.940 -4.699 1.00 0.00 C ATOM 0 H THR A 50 -3.227 5.953 -2.976 1.00 0.00 H new ATOM 0 HA THR A 50 -0.604 6.581 -4.169 1.00 0.00 H new ATOM 0 HB THR A 50 -1.789 8.859 -2.833 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.279 9.341 -4.570 1.00 0.00 H new ATOM 0 HG21 THR A 50 -0.997 9.976 -4.904 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.250 8.908 -4.218 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.689 8.383 -5.635 1.00 0.00 H new ATOM 694 N ILE A 51 0.369 6.585 -1.851 1.00 0.00 N ATOM 695 CA ILE A 51 0.978 6.382 -0.528 1.00 0.00 C ATOM 696 C ILE A 51 0.768 7.555 0.433 1.00 0.00 C ATOM 697 O ILE A 51 1.143 8.693 0.153 1.00 0.00 O ATOM 698 CB ILE A 51 2.496 6.040 -0.671 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.672 4.774 -1.540 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.196 5.859 0.687 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.172 3.487 -0.894 1.00 0.00 C ATOM 0 H ILE A 51 1.045 6.617 -2.614 1.00 0.00 H new ATOM 0 HA ILE A 51 0.459 5.535 -0.079 1.00 0.00 H new ATOM 0 HB ILE A 51 2.973 6.890 -1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.145 4.920 -2.483 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.729 4.658 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.248 5.623 0.526 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.115 6.780 1.264 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.722 5.045 1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.335 2.651 -1.574 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.715 3.311 0.034 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.107 3.577 -0.680 1.00 0.00 H new ATOM 713 N LYS A 52 0.147 7.227 1.566 1.00 0.00 N ATOM 714 CA LYS A 52 -0.111 8.189 2.634 1.00 0.00 C ATOM 715 C LYS A 52 0.957 8.057 3.723 1.00 0.00 C ATOM 716 O LYS A 52 1.341 9.049 4.349 1.00 0.00 O ATOM 717 CB LYS A 52 -1.502 7.963 3.232 1.00 0.00 C ATOM 718 CG LYS A 52 -2.226 9.250 3.600 1.00 0.00 C ATOM 719 CD LYS A 52 -3.247 9.021 4.704 1.00 0.00 C ATOM 720 CE LYS A 52 -3.914 10.321 5.125 1.00 0.00 C ATOM 721 NZ LYS A 52 -3.088 11.078 6.106 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.191 6.286 1.768 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.072 9.195 2.216 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.109 7.407 2.518 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.408 7.342 4.123 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.501 9.997 3.923 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.726 9.652 2.719 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.005 8.317 4.360 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.757 8.567 5.565 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.090 10.940 4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.888 10.104 5.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.578 11.957 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.941 10.498 6.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.167 11.308 5.680 1.00 0.00 H new ATOM 735 N LYS A 53 1.427 6.813 3.935 1.00 0.00 N ATOM 736 CA LYS A 53 2.458 6.516 4.933 1.00 0.00 C ATOM 737 C LYS A 53 3.409 5.437 4.413 1.00 0.00 C ATOM 738 O LYS A 53 3.079 4.714 3.468 1.00 0.00 O ATOM 739 CB LYS A 53 1.818 6.053 6.245 1.00 0.00 C ATOM 740 CG LYS A 53 2.350 6.769 7.489 1.00 0.00 C ATOM 741 CD LYS A 53 2.419 5.845 8.707 1.00 0.00 C ATOM 742 CE LYS A 53 1.034 5.481 9.227 1.00 0.00 C ATOM 743 NZ LYS A 53 1.053 4.239 10.047 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.102 5.995 3.420 1.00 0.00 H new ATOM 0 HA LYS A 53 3.024 7.429 5.119 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.740 6.206 6.184 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.982 4.981 6.358 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.344 7.166 7.280 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.709 7.620 7.718 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.957 4.935 8.442 1.00 0.00 H new ATOM 0 HD3 LYS A 53 2.987 6.332 9.500 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.644 6.304 9.826 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.354 5.349 8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 0.091 4.028 10.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 1.401 3.447 9.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 1.681 4.373 10.865 1.00 0.00 H new ATOM 757 N VAL A 54 4.576 5.320 5.053 1.00 0.00 N ATOM 758 CA VAL A 54 5.590 4.337 4.651 1.00 0.00 C ATOM 759 C VAL A 54 6.237 3.682 5.876 1.00 0.00 C ATOM 760 O VAL A 54 6.599 4.357 6.844 1.00 0.00 O ATOM 761 CB VAL A 54 6.694 4.970 3.736 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.861 4.008 3.499 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.115 5.391 2.389 1.00 0.00 C ATOM 0 H VAL A 54 4.844 5.894 5.853 1.00 0.00 H new ATOM 0 HA VAL A 54 5.074 3.572 4.071 1.00 0.00 H new ATOM 0 HB VAL A 54 7.067 5.848 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.603 4.487 2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.318 3.748 4.454 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.494 3.103 3.014 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.903 5.827 1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.700 4.519 1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.328 6.128 2.546 1.00 0.00 H new ATOM 773 N ASP A 55 6.366 2.357 5.798 1.00 0.00 N ATOM 774 CA ASP A 55 6.980 1.550 6.848 1.00 0.00 C ATOM 775 C ASP A 55 8.144 0.737 6.262 1.00 0.00 C ATOM 776 O ASP A 55 7.991 -0.439 5.907 1.00 0.00 O ATOM 777 CB ASP A 55 5.931 0.631 7.494 1.00 0.00 C ATOM 778 CG ASP A 55 5.225 1.292 8.662 1.00 0.00 C ATOM 779 OD1 ASP A 55 5.746 1.209 9.794 1.00 0.00 O1- ATOM 780 OD2 ASP A 55 4.153 1.893 8.444 1.00 0.00 O ATOM 0 H ASP A 55 6.045 1.812 4.998 1.00 0.00 H new ATOM 0 HA ASP A 55 7.374 2.205 7.625 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.195 0.341 6.744 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.415 -0.284 7.836 1.00 0.00 H new ATOM 785 N SER A 56 9.312 1.389 6.150 1.00 0.00 N ATOM 786 CA SER A 56 10.526 0.766 5.593 1.00 0.00 C ATOM 787 C SER A 56 11.209 -0.198 6.581 1.00 0.00 C ATOM 788 O SER A 56 12.231 -0.810 6.251 1.00 0.00 O ATOM 789 CB SER A 56 11.512 1.855 5.160 1.00 0.00 C ATOM 790 OG SER A 56 10.908 2.760 4.253 1.00 0.00 O ATOM 0 H SER A 56 9.443 2.358 6.441 1.00 0.00 H new ATOM 0 HA SER A 56 10.218 0.173 4.732 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.868 2.397 6.036 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.384 1.396 4.694 1.00 0.00 H new ATOM 0 HG SER A 56 10.468 2.259 3.535 1.00 0.00 H new ATOM 796 N ALA A 57 10.631 -0.337 7.782 1.00 0.00 N ATOM 797 CA ALA A 57 11.174 -1.223 8.816 1.00 0.00 C ATOM 798 C ALA A 57 10.623 -2.646 8.680 1.00 0.00 C ATOM 799 O ALA A 57 11.370 -3.621 8.807 1.00 0.00 O ATOM 800 CB ALA A 57 10.875 -0.664 10.199 1.00 0.00 C ATOM 0 H ALA A 57 9.783 0.157 8.060 1.00 0.00 H new ATOM 0 HA ALA A 57 12.255 -1.273 8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.284 -1.332 10.957 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.330 0.321 10.299 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.796 -0.581 10.332 1.00 0.00 H new ATOM 806 N ARG A 58 9.313 -2.749 8.421 1.00 0.00 N ATOM 807 CA ARG A 58 8.644 -4.043 8.262 1.00 0.00 C ATOM 808 C ARG A 58 8.247 -4.302 6.799 1.00 0.00 C ATOM 809 O ARG A 58 7.535 -5.270 6.503 1.00 0.00 O ATOM 810 CB ARG A 58 7.408 -4.100 9.168 1.00 0.00 C ATOM 811 CG ARG A 58 7.708 -4.586 10.576 1.00 0.00 C ATOM 812 CD ARG A 58 6.639 -4.139 11.559 1.00 0.00 C ATOM 813 NE ARG A 58 6.938 -4.573 12.928 1.00 0.00 N ATOM 814 CZ ARG A 58 6.368 -4.066 14.032 1.00 0.00 C ATOM 815 NH1 ARG A 58 5.459 -3.095 13.953 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 6.714 -4.537 15.221 1.00 0.00 N ATOM 0 H ARG A 58 8.694 -1.945 8.317 1.00 0.00 H new ATOM 0 HA ARG A 58 9.345 -4.825 8.553 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.962 -3.107 9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.666 -4.758 8.716 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.775 -5.674 10.580 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.679 -4.205 10.894 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.554 -3.053 11.533 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.673 -4.542 11.253 1.00 0.00 H new ATOM 0 HE ARG A 58 7.629 -5.313 13.049 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.186 -2.725 13.043 1.00 0.00 H new ATOM 0 HH12 ARG A 58 5.036 -2.722 14.803 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.409 -5.280 15.293 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.285 -4.157 16.065 1.00 0.00 H new ATOM 830 N GLU A 59 8.731 -3.437 5.876 1.00 0.00 N ATOM 831 CA GLU A 59 8.437 -3.536 4.423 1.00 0.00 C ATOM 832 C GLU A 59 6.931 -3.394 4.146 1.00 0.00 C ATOM 833 O GLU A 59 6.326 -4.203 3.429 1.00 0.00 O ATOM 834 CB GLU A 59 8.991 -4.848 3.824 1.00 0.00 C ATOM 835 CG GLU A 59 10.510 -4.870 3.685 1.00 0.00 C ATOM 836 CD GLU A 59 10.982 -4.319 2.354 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.767 -4.991 1.322 1.00 0.00 O1- ATOM 838 OE2 GLU A 59 11.569 -3.218 2.343 1.00 0.00 O ATOM 0 H GLU A 59 9.336 -2.651 6.116 1.00 0.00 H new ATOM 0 HA GLU A 59 8.945 -2.707 3.930 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.681 -5.683 4.453 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.544 -5.005 2.843 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.953 -4.288 4.493 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.867 -5.894 3.797 1.00 0.00 H new ATOM 845 N VAL A 60 6.342 -2.345 4.729 1.00 0.00 N ATOM 846 CA VAL A 60 4.910 -2.053 4.580 1.00 0.00 C ATOM 847 C VAL A 60 4.698 -0.556 4.296 1.00 0.00 C ATOM 848 O VAL A 60 5.617 0.243 4.472 1.00 0.00 O ATOM 849 CB VAL A 60 4.090 -2.457 5.847 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.638 -2.726 5.497 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.680 -3.669 6.569 1.00 0.00 C ATOM 0 H VAL A 60 6.841 -1.676 5.315 1.00 0.00 H new ATOM 0 HA VAL A 60 4.550 -2.648 3.741 1.00 0.00 H new ATOM 0 HB VAL A 60 4.145 -1.607 6.527 1.00 0.00 H new ATOM 0 HG11 VAL A 60 2.092 -3.005 6.398 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.195 -1.827 5.068 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.583 -3.539 4.773 1.00 0.00 H new ATOM 0 HG21 VAL A 60 4.070 -3.905 7.441 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.693 -4.524 5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.697 -3.443 6.888 1.00 0.00 H new ATOM 861 N CYS A 61 3.486 -0.195 3.830 1.00 0.00 N ATOM 862 CA CYS A 61 3.130 1.203 3.525 1.00 0.00 C ATOM 863 C CYS A 61 1.621 1.400 3.512 1.00 0.00 C ATOM 864 O CYS A 61 0.875 0.508 3.101 1.00 0.00 O ATOM 865 CB CYS A 61 3.689 1.635 2.167 1.00 0.00 C ATOM 866 SG CYS A 61 5.421 2.127 2.229 1.00 0.00 S ATOM 0 H CYS A 61 2.732 -0.860 3.656 1.00 0.00 H new ATOM 0 HA CYS A 61 3.570 1.816 4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.577 0.814 1.459 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.096 2.467 1.787 1.00 0.00 H new ATOM 0 HG CYS A 61 5.973 1.637 3.299 1.00 0.00 H new ATOM 872 N LEU A 62 1.187 2.580 3.968 1.00 0.00 N ATOM 873 CA LEU A 62 -0.229 2.940 3.976 1.00 0.00 C ATOM 874 C LEU A 62 -0.529 3.741 2.721 1.00 0.00 C ATOM 875 O LEU A 62 0.237 4.638 2.361 1.00 0.00 O ATOM 876 CB LEU A 62 -0.601 3.778 5.212 1.00 0.00 C ATOM 877 CG LEU A 62 -1.981 3.502 5.881 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.097 3.270 4.855 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.906 2.330 6.851 1.00 0.00 C ATOM 0 H LEU A 62 1.803 3.304 4.338 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.818 2.023 4.008 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.173 3.629 5.965 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.570 4.830 4.927 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.232 4.403 6.440 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.036 3.082 5.375 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.201 4.153 4.225 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.848 2.409 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.886 2.166 7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.597 1.433 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.181 2.552 7.634 1.00 0.00 H new ATOM 891 N VAL A 63 -1.631 3.410 2.057 1.00 0.00 N ATOM 892 CA VAL A 63 -2.005 4.083 0.817 1.00 0.00 C ATOM 893 C VAL A 63 -3.503 4.384 0.768 1.00 0.00 C ATOM 894 O VAL A 63 -4.327 3.600 1.253 1.00 0.00 O ATOM 895 CB VAL A 63 -1.557 3.255 -0.449 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.001 1.890 -0.071 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.676 3.088 -1.468 1.00 0.00 C ATOM 0 H VAL A 63 -2.280 2.682 2.355 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.474 5.035 0.799 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.763 3.841 -0.913 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.705 1.355 -0.973 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.133 2.017 0.576 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.766 1.319 0.455 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.311 2.511 -2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.513 2.565 -1.006 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.006 4.069 -1.811 1.00 0.00 H new ATOM 907 N GLN A 64 -3.830 5.538 0.173 1.00 0.00 N ATOM 908 CA GLN A 64 -5.215 5.961 -0.021 1.00 0.00 C ATOM 909 C GLN A 64 -5.647 5.479 -1.405 1.00 0.00 C ATOM 910 O GLN A 64 -4.814 5.384 -2.309 1.00 0.00 O ATOM 911 CB GLN A 64 -5.360 7.487 0.095 1.00 0.00 C ATOM 912 CG GLN A 64 -6.792 7.959 0.368 1.00 0.00 C ATOM 913 CD GLN A 64 -6.902 8.807 1.622 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.309 9.883 1.714 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.665 8.324 2.596 1.00 0.00 N ATOM 0 H GLN A 64 -3.142 6.200 -0.185 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.849 5.530 0.754 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.712 7.843 0.896 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.007 7.946 -0.828 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.150 8.534 -0.486 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.444 7.091 0.463 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.138 7.428 2.477 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.778 8.849 3.463 1.00 0.00 H new ATOM 924 N PHE A 65 -6.930 5.190 -1.578 1.00 0.00 N ATOM 925 CA PHE A 65 -7.409 4.653 -2.843 1.00 0.00 C ATOM 926 C PHE A 65 -8.398 5.566 -3.571 1.00 0.00 C ATOM 927 O PHE A 65 -8.828 6.593 -3.037 1.00 0.00 O ATOM 928 CB PHE A 65 -7.984 3.266 -2.567 1.00 0.00 C ATOM 929 CG PHE A 65 -6.920 2.297 -2.119 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.493 2.252 -0.800 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.330 1.457 -3.030 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.500 1.377 -0.409 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.337 0.579 -2.648 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.923 0.539 -1.337 1.00 0.00 C ATOM 0 H PHE A 65 -7.650 5.317 -0.867 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.571 4.584 -3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.755 3.338 -1.800 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.465 2.886 -3.468 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.943 2.909 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.648 1.484 -4.062 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.177 1.350 0.621 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.885 -0.076 -3.378 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.147 -0.149 -1.036 1.00 0.00 H new ATOM 944 N GLU A 66 -8.749 5.163 -4.810 1.00 0.00 N ATOM 945 CA GLU A 66 -9.652 5.916 -5.694 1.00 0.00 C ATOM 946 C GLU A 66 -11.051 6.103 -5.104 1.00 0.00 C ATOM 947 O GLU A 66 -11.627 7.190 -5.218 1.00 0.00 O ATOM 948 CB GLU A 66 -9.748 5.206 -7.042 1.00 0.00 C ATOM 949 CG GLU A 66 -8.604 5.554 -7.990 1.00 0.00 C ATOM 950 CD GLU A 66 -8.879 6.778 -8.857 1.00 0.00 C ATOM 951 OE1 GLU A 66 -9.618 7.687 -8.411 1.00 0.00 O1- ATOM 952 OE2 GLU A 66 -8.348 6.829 -9.985 1.00 0.00 O ATOM 0 H GLU A 66 -8.408 4.296 -5.226 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.228 6.913 -5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.759 4.129 -6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.695 5.466 -7.515 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.700 5.729 -7.406 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -8.406 4.699 -8.636 1.00 0.00 H new ATOM 959 N ASP A 67 -11.593 5.049 -4.477 1.00 0.00 N ATOM 960 CA ASP A 67 -12.925 5.125 -3.878 1.00 0.00 C ATOM 961 C ASP A 67 -12.855 5.571 -2.396 1.00 0.00 C ATOM 962 O ASP A 67 -13.678 5.164 -1.567 1.00 0.00 O ATOM 963 CB ASP A 67 -13.647 3.777 -4.050 1.00 0.00 C ATOM 964 CG ASP A 67 -15.153 3.882 -3.877 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.825 4.375 -4.807 1.00 0.00 O1- ATOM 966 OD2 ASP A 67 -15.658 3.471 -2.811 1.00 0.00 O ATOM 0 H ASP A 67 -11.132 4.145 -4.374 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.505 5.888 -4.397 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.428 3.378 -5.040 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.253 3.065 -3.325 1.00 0.00 H new ATOM 971 N ASP A 68 -11.856 6.436 -2.083 1.00 0.00 N ATOM 972 CA ASP A 68 -11.642 7.003 -0.728 1.00 0.00 C ATOM 973 C ASP A 68 -11.509 5.925 0.363 1.00 0.00 C ATOM 974 O ASP A 68 -12.285 5.892 1.329 1.00 0.00 O ATOM 975 CB ASP A 68 -12.755 8.010 -0.374 1.00 0.00 C ATOM 976 CG ASP A 68 -12.589 9.333 -1.093 1.00 0.00 C ATOM 977 OD1 ASP A 68 -12.703 9.352 -2.337 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -12.342 10.352 -0.413 1.00 0.00 O ATOM 0 H ASP A 68 -11.173 6.761 -2.768 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.688 7.529 -0.759 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.724 7.581 -0.629 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.756 8.182 0.702 1.00 0.00 H new ATOM 983 N SER A 69 -10.522 5.043 0.195 1.00 0.00 N ATOM 984 CA SER A 69 -10.275 3.970 1.159 1.00 0.00 C ATOM 985 C SER A 69 -8.841 3.992 1.662 1.00 0.00 C ATOM 986 O SER A 69 -7.903 4.148 0.878 1.00 0.00 O ATOM 987 CB SER A 69 -10.572 2.601 0.537 1.00 0.00 C ATOM 988 OG SER A 69 -11.148 1.725 1.490 1.00 0.00 O ATOM 0 H SER A 69 -9.882 5.051 -0.599 1.00 0.00 H new ATOM 0 HA SER A 69 -10.944 4.137 2.003 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.250 2.721 -0.308 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.651 2.167 0.148 1.00 0.00 H new ATOM 0 HG SER A 69 -11.330 0.859 1.070 1.00 0.00 H new ATOM 994 N GLN A 70 -8.688 3.862 2.982 1.00 0.00 N ATOM 995 CA GLN A 70 -7.372 3.803 3.607 1.00 0.00 C ATOM 996 C GLN A 70 -7.075 2.342 3.929 1.00 0.00 C ATOM 997 O GLN A 70 -7.482 1.820 4.975 1.00 0.00 O ATOM 998 CB GLN A 70 -7.312 4.676 4.870 1.00 0.00 C ATOM 999 CG GLN A 70 -6.656 6.034 4.649 1.00 0.00 C ATOM 1000 CD GLN A 70 -5.139 5.969 4.624 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.485 6.058 5.664 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.573 5.810 3.433 1.00 0.00 N ATOM 0 H GLN A 70 -9.466 3.796 3.638 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.618 4.197 2.925 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.325 4.829 5.243 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.764 4.140 5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.011 6.453 3.707 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.971 6.715 5.439 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.154 5.741 2.597 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.557 5.757 3.354 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.377 1.688 3.003 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.067 0.272 3.132 1.00 0.00 C ATOM 1013 C PHE A 71 -4.563 0.033 3.214 1.00 0.00 C ATOM 1014 O PHE A 71 -3.803 0.442 2.331 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.690 -0.482 1.938 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.045 -1.133 2.173 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.833 -0.858 3.293 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.532 -2.032 1.238 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -10.061 -1.470 3.463 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.760 -2.645 1.407 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.523 -2.365 2.520 1.00 0.00 C ATOM 0 H PHE A 71 -6.016 2.121 2.153 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.492 -0.105 4.062 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.788 0.217 1.108 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.991 -1.256 1.622 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.479 -0.158 4.036 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.942 -2.258 0.362 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.659 -1.247 4.334 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.121 -3.343 0.667 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.481 -2.845 2.654 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.154 -0.637 4.302 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.751 -0.973 4.569 1.00 0.00 C ATOM 1033 C LEU A 72 -2.270 -2.085 3.627 1.00 0.00 C ATOM 1034 O LEU A 72 -2.863 -3.168 3.579 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.608 -1.403 6.048 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.177 -1.650 6.602 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -0.772 -3.102 6.410 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -0.136 -0.731 5.963 1.00 0.00 C ATOM 0 H LEU A 72 -4.795 -0.963 5.026 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.128 -0.097 4.387 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.077 -0.637 6.665 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.182 -2.319 6.186 1.00 0.00 H new ATOM 0 HG LEU A 72 -1.209 -1.419 7.667 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.233 -3.255 6.804 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.472 -3.748 6.940 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -0.786 -3.346 5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.846 -0.945 6.385 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.113 -0.900 4.886 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.398 0.308 6.161 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.197 -1.797 2.885 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.632 -2.767 1.933 1.00 0.00 C ATOM 1052 C VAL A 73 0.863 -2.971 2.153 1.00 0.00 C ATOM 1053 O VAL A 73 1.568 -2.066 2.612 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.852 -2.367 0.444 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.047 -3.608 -0.424 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -2.025 -1.401 0.273 1.00 0.00 C ATOM 0 H VAL A 73 -0.702 -0.906 2.922 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.172 -3.694 2.129 1.00 0.00 H new ATOM 0 HB VAL A 73 0.047 -1.845 0.115 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.199 -3.307 -1.460 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.163 -4.242 -0.356 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.918 -4.162 -0.076 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.139 -1.151 -0.782 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.939 -1.871 0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.834 -0.492 0.843 1.00 0.00 H new ATOM 1066 N LEU A 74 1.324 -4.180 1.812 1.00 0.00 N ATOM 1067 CA LEU A 74 2.731 -4.548 1.933 1.00 0.00 C ATOM 1068 C LEU A 74 3.456 -4.349 0.614 1.00 0.00 C ATOM 1069 O LEU A 74 2.844 -4.408 -0.456 1.00 0.00 O ATOM 1070 CB LEU A 74 2.873 -6.006 2.377 1.00 0.00 C ATOM 1071 CG LEU A 74 3.514 -6.208 3.751 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.457 -6.148 4.835 1.00 0.00 C ATOM 1073 CD2 LEU A 74 4.260 -7.533 3.803 1.00 0.00 C ATOM 0 H LEU A 74 0.731 -4.925 1.446 1.00 0.00 H new ATOM 0 HA LEU A 74 3.179 -3.900 2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.884 -6.465 2.384 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.467 -6.539 1.635 1.00 0.00 H new ATOM 0 HG LEU A 74 4.232 -5.406 3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.925 -6.293 5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.965 -5.176 4.810 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.719 -6.932 4.667 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.709 -7.659 4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.564 -8.350 3.614 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.042 -7.540 3.044 1.00 0.00 H new ATOM 1085 N TRP A 75 4.776 -4.153 0.700 1.00 0.00 N ATOM 1086 CA TRP A 75 5.631 -3.933 -0.477 1.00 0.00 C ATOM 1087 C TRP A 75 5.620 -5.135 -1.439 1.00 0.00 C ATOM 1088 O TRP A 75 6.069 -5.012 -2.583 1.00 0.00 O ATOM 1089 CB TRP A 75 7.072 -3.608 -0.040 1.00 0.00 C ATOM 1090 CG TRP A 75 7.233 -2.318 0.746 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.269 -1.641 1.453 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.445 -1.561 0.915 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.802 -0.520 2.028 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.132 -0.446 1.719 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.764 -1.712 0.464 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 9.082 0.505 2.080 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.706 -0.766 0.826 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.360 0.330 1.628 1.00 0.00 C ATOM 0 H TRP A 75 5.283 -4.142 1.585 1.00 0.00 H new ATOM 0 HA TRP A 75 5.220 -3.082 -1.020 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.446 -4.433 0.566 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.701 -3.554 -0.929 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.238 -1.950 1.542 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.289 0.154 2.597 1.00 0.00 H new ATOM 0 HE3 TRP A 75 10.040 -2.553 -0.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.818 1.352 2.696 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.725 -0.874 0.485 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.119 1.051 1.894 1.00 0.00 H new ATOM 1109 N LYS A 76 5.104 -6.290 -0.970 1.00 0.00 N ATOM 1110 CA LYS A 76 5.027 -7.499 -1.808 1.00 0.00 C ATOM 1111 C LYS A 76 3.771 -7.487 -2.703 1.00 0.00 C ATOM 1112 O LYS A 76 3.794 -8.007 -3.822 1.00 0.00 O ATOM 1113 CB LYS A 76 5.083 -8.776 -0.937 1.00 0.00 C ATOM 1114 CG LYS A 76 3.824 -9.069 -0.117 1.00 0.00 C ATOM 1115 CD LYS A 76 4.145 -9.884 1.125 1.00 0.00 C ATOM 1116 CE LYS A 76 2.889 -10.202 1.921 1.00 0.00 C ATOM 1117 NZ LYS A 76 3.201 -10.553 3.334 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.739 -6.408 -0.025 1.00 0.00 H new ATOM 0 HA LYS A 76 5.895 -7.503 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.280 -9.629 -1.586 1.00 0.00 H new ATOM 0 HB3 LYS A 76 5.929 -8.693 -0.255 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.352 -8.131 0.174 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.105 -9.610 -0.733 1.00 0.00 H new ATOM 0 HD2 LYS A 76 4.639 -10.812 0.835 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.845 -9.333 1.753 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.219 -9.343 1.900 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.360 -11.030 1.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 2.511 -10.098 3.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.153 -11.585 3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.158 -10.221 3.571 1.00 0.00 H new ATOM 1131 N ASP A 77 2.689 -6.888 -2.186 1.00 0.00 N ATOM 1132 CA ASP A 77 1.416 -6.789 -2.912 1.00 0.00 C ATOM 1133 C ASP A 77 1.274 -5.439 -3.626 1.00 0.00 C ATOM 1134 O ASP A 77 0.233 -5.155 -4.231 1.00 0.00 O ATOM 1135 CB ASP A 77 0.247 -6.984 -1.940 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.293 -8.401 -1.961 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -1.182 -8.685 -2.792 1.00 0.00 O ATOM 1138 OD2 ASP A 77 0.171 -9.227 -1.147 1.00 0.00 O1- ATOM 0 H ASP A 77 2.671 -6.462 -1.260 1.00 0.00 H new ATOM 0 HA ASP A 77 1.403 -7.573 -3.670 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.573 -6.738 -0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.553 -6.289 -2.195 1.00 0.00 H new ATOM 1143 N ILE A 78 2.330 -4.620 -3.568 1.00 0.00 N ATOM 1144 CA ILE A 78 2.317 -3.294 -4.188 1.00 0.00 C ATOM 1145 C ILE A 78 3.133 -3.271 -5.487 1.00 0.00 C ATOM 1146 O ILE A 78 4.210 -3.868 -5.573 1.00 0.00 O ATOM 1147 CB ILE A 78 2.829 -2.205 -3.196 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.837 -2.073 -2.025 1.00 0.00 C ATOM 1149 CG2 ILE A 78 3.013 -0.850 -3.892 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.405 -1.412 -0.789 1.00 0.00 C ATOM 0 H ILE A 78 3.204 -4.854 -3.097 1.00 0.00 H new ATOM 0 HA ILE A 78 1.282 -3.065 -4.442 1.00 0.00 H new ATOM 0 HB ILE A 78 3.804 -2.514 -2.819 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.972 -1.501 -2.362 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.478 -3.067 -1.757 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.371 -0.116 -3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.740 -0.951 -4.698 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.059 -0.520 -4.303 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.637 -1.362 -0.017 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.251 -1.993 -0.422 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.737 -0.404 -1.036 1.00 0.00 H new ATOM 1162 N SER A 79 2.584 -2.570 -6.484 1.00 0.00 N ATOM 1163 CA SER A 79 3.217 -2.404 -7.790 1.00 0.00 C ATOM 1164 C SER A 79 3.184 -0.918 -8.189 1.00 0.00 C ATOM 1165 O SER A 79 2.110 -0.397 -8.498 1.00 0.00 O ATOM 1166 CB SER A 79 2.500 -3.256 -8.849 1.00 0.00 C ATOM 1167 OG SER A 79 3.426 -4.016 -9.606 1.00 0.00 O ATOM 0 H SER A 79 1.682 -2.100 -6.404 1.00 0.00 H new ATOM 0 HA SER A 79 4.253 -2.738 -7.729 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.789 -3.924 -8.362 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.927 -2.609 -9.513 1.00 0.00 H new ATOM 0 HG SER A 79 2.944 -4.550 -10.271 1.00 0.00 H new ATOM 1173 N PRO A 80 4.345 -0.185 -8.169 1.00 0.00 N ATOM 1174 CA PRO A 80 4.381 1.250 -8.538 1.00 0.00 C ATOM 1175 C PRO A 80 3.747 1.531 -9.907 1.00 0.00 C ATOM 1176 O PRO A 80 4.161 0.968 -10.926 1.00 0.00 O ATOM 1177 CB PRO A 80 5.878 1.578 -8.548 1.00 0.00 C ATOM 1178 CG PRO A 80 6.469 0.608 -7.588 1.00 0.00 C ATOM 1179 CD PRO A 80 5.691 -0.666 -7.769 1.00 0.00 C ATOM 0 HA PRO A 80 3.804 1.861 -7.843 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.305 1.463 -9.544 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.063 2.607 -8.239 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.529 0.452 -7.791 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.391 0.973 -6.564 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.135 -1.304 -8.533 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.654 -1.250 -6.849 1.00 0.00 H new ATOM 1187 N ALA A 81 2.729 2.404 -9.901 1.00 0.00 N ATOM 1188 CA ALA A 81 1.992 2.771 -11.113 1.00 0.00 C ATOM 1189 C ALA A 81 2.741 3.824 -11.936 1.00 0.00 C ATOM 1190 O ALA A 81 3.049 4.912 -11.438 1.00 0.00 O ATOM 1191 CB ALA A 81 0.603 3.276 -10.741 1.00 0.00 C ATOM 0 H ALA A 81 2.397 2.872 -9.058 1.00 0.00 H new ATOM 0 HA ALA A 81 1.899 1.879 -11.733 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.060 3.547 -11.646 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.060 2.492 -10.213 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.694 4.151 -10.097 1.00 0.00 H new