USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=7 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= 0.102 K(o=0.1,f=-2.7!) USER MOD Single : A 42 THR OG1 : rot -18:sc= 0.864 USER MOD Single : A 47 TYR OH : rot 109:sc= 1.41 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 -39:sc= 0.224 USER MOD Single : A 61 CYS SG : rot -150:sc= -10.3! USER MOD Single : A 64 GLN : amide:sc= -1.63! K(o=-1.6!,f=-0.66) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.57 K(o=-1.6,f=-0.96) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 375 N LEU A 31 8.812 3.542 -2.301 1.00 0.00 N ATOM 376 CA LEU A 31 7.697 3.812 -1.384 1.00 0.00 C ATOM 377 C LEU A 31 7.872 5.178 -0.719 1.00 0.00 C ATOM 378 O LEU A 31 8.769 5.372 0.110 1.00 0.00 O ATOM 379 CB LEU A 31 7.576 2.698 -0.312 1.00 0.00 C ATOM 380 CG LEU A 31 6.549 1.564 -0.576 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.278 2.070 -1.246 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.160 0.447 -1.406 1.00 0.00 C ATOM 0 HA LEU A 31 6.775 3.822 -1.965 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.558 2.241 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.321 3.170 0.637 1.00 0.00 H new ATOM 0 HG LEU A 31 6.274 1.171 0.403 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.595 1.236 -1.407 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.800 2.812 -0.606 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.528 2.525 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.415 -0.331 -1.573 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.490 0.845 -2.365 1.00 0.00 H new ATOM 0 HD23 LEU A 31 8.013 0.025 -0.876 1.00 0.00 H new ATOM 394 N TRP A 32 7.006 6.126 -1.107 1.00 0.00 N ATOM 395 CA TRP A 32 7.033 7.497 -0.574 1.00 0.00 C ATOM 396 C TRP A 32 5.619 8.091 -0.538 1.00 0.00 C ATOM 397 O TRP A 32 4.735 7.628 -1.260 1.00 0.00 O ATOM 398 CB TRP A 32 7.986 8.397 -1.405 1.00 0.00 C ATOM 399 CG TRP A 32 7.609 8.562 -2.857 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.698 7.618 -3.839 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.090 9.746 -3.485 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.261 8.137 -5.032 1.00 0.00 N ATOM 403 CE2 TRP A 32 6.886 9.439 -4.844 1.00 0.00 C ATOM 404 CE3 TRP A 32 6.777 11.034 -3.034 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.383 10.368 -5.751 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.279 11.955 -3.936 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.087 11.618 -5.282 1.00 0.00 C ATOM 0 H TRP A 32 6.271 5.966 -1.795 1.00 0.00 H new ATOM 0 HA TRP A 32 7.414 7.456 0.447 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.025 9.383 -0.942 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.992 7.980 -1.352 1.00 0.00 H new ATOM 0 HD1 TRP A 32 8.059 6.610 -3.698 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.222 7.632 -5.918 1.00 0.00 H new ATOM 0 HE3 TRP A 32 6.922 11.303 -1.998 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.232 10.110 -6.789 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.034 12.951 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 32 5.697 12.360 -5.963 1.00 0.00 H new ATOM 418 N GLU A 33 5.423 9.134 0.288 1.00 0.00 N ATOM 419 CA GLU A 33 4.115 9.797 0.427 1.00 0.00 C ATOM 420 C GLU A 33 3.685 10.477 -0.879 1.00 0.00 C ATOM 421 O GLU A 33 4.337 11.417 -1.350 1.00 0.00 O ATOM 422 CB GLU A 33 4.159 10.818 1.567 1.00 0.00 C ATOM 423 CG GLU A 33 3.864 10.220 2.933 1.00 0.00 C ATOM 424 CD GLU A 33 3.840 11.263 4.033 1.00 0.00 C ATOM 425 OE1 GLU A 33 4.929 11.668 4.492 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 2.732 11.675 4.437 1.00 0.00 O ATOM 0 H GLU A 33 6.157 9.537 0.871 1.00 0.00 H new ATOM 0 HA GLU A 33 3.376 9.031 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.145 11.283 1.589 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.438 11.609 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.902 9.708 2.901 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.618 9.468 3.167 1.00 0.00 H new ATOM 433 N GLY A 34 2.583 9.979 -1.453 1.00 0.00 N ATOM 434 CA GLY A 34 2.060 10.507 -2.705 1.00 0.00 C ATOM 435 C GLY A 34 2.540 9.710 -3.904 1.00 0.00 C ATOM 436 O GLY A 34 2.670 10.254 -5.005 1.00 0.00 O ATOM 0 H GLY A 34 2.039 9.209 -1.064 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.970 10.497 -2.676 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.366 11.547 -2.815 1.00 0.00 H new ATOM 440 N GLN A 35 2.804 8.416 -3.678 1.00 0.00 N ATOM 441 CA GLN A 35 3.276 7.519 -4.725 1.00 0.00 C ATOM 442 C GLN A 35 2.117 6.661 -5.227 1.00 0.00 C ATOM 443 O GLN A 35 1.487 5.945 -4.442 1.00 0.00 O ATOM 444 CB GLN A 35 4.443 6.655 -4.171 1.00 0.00 C ATOM 445 CG GLN A 35 4.542 5.227 -4.732 1.00 0.00 C ATOM 446 CD GLN A 35 5.821 4.955 -5.504 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.353 5.821 -6.203 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.309 3.729 -5.388 1.00 0.00 N ATOM 0 H GLN A 35 2.695 7.970 -2.767 1.00 0.00 H new ATOM 0 HA GLN A 35 3.653 8.090 -5.573 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.381 7.171 -4.375 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.342 6.593 -3.087 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.469 4.518 -3.908 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.689 5.044 -5.386 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.835 3.045 -4.798 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.159 3.469 -5.889 1.00 0.00 H new ATOM 457 N ASP A 36 1.837 6.738 -6.540 1.00 0.00 N ATOM 458 CA ASP A 36 0.768 5.935 -7.145 1.00 0.00 C ATOM 459 C ASP A 36 1.205 4.475 -7.180 1.00 0.00 C ATOM 460 O ASP A 36 2.128 4.100 -7.914 1.00 0.00 O ATOM 461 CB ASP A 36 0.410 6.436 -8.548 1.00 0.00 C ATOM 462 CG ASP A 36 -0.335 7.758 -8.522 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.283 8.778 -8.155 1.00 0.00 O ATOM 464 OD2 ASP A 36 -1.534 7.771 -8.870 1.00 0.00 O1- ATOM 0 H ASP A 36 2.333 7.343 -7.195 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.132 6.031 -6.538 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.322 6.549 -9.134 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.202 5.688 -9.052 1.00 0.00 H new ATOM 469 N VAL A 37 0.534 3.674 -6.365 1.00 0.00 N ATOM 470 CA VAL A 37 0.856 2.261 -6.222 1.00 0.00 C ATOM 471 C VAL A 37 -0.256 1.348 -6.715 1.00 0.00 C ATOM 472 O VAL A 37 -1.395 1.778 -6.918 1.00 0.00 O ATOM 473 CB VAL A 37 1.141 1.905 -4.734 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.465 2.501 -4.284 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.008 2.343 -3.805 1.00 0.00 C ATOM 0 H VAL A 37 -0.246 3.984 -5.786 1.00 0.00 H new ATOM 0 HA VAL A 37 1.741 2.098 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 37 1.210 0.819 -4.665 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.645 2.241 -3.241 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.271 2.105 -4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.429 3.586 -4.386 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.233 2.075 -2.776 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.142 3.422 -3.877 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.929 1.842 -4.104 1.00 0.00 H new ATOM 485 N LEU A 38 0.111 0.084 -6.898 1.00 0.00 N ATOM 486 CA LEU A 38 -0.815 -0.941 -7.316 1.00 0.00 C ATOM 487 C LEU A 38 -0.886 -1.996 -6.230 1.00 0.00 C ATOM 488 O LEU A 38 0.001 -2.846 -6.090 1.00 0.00 O ATOM 489 CB LEU A 38 -0.389 -1.532 -8.662 1.00 0.00 C ATOM 490 CG LEU A 38 -0.507 -0.573 -9.852 1.00 0.00 C ATOM 491 CD1 LEU A 38 0.261 -1.107 -11.050 1.00 0.00 C ATOM 492 CD2 LEU A 38 -1.969 -0.344 -10.207 1.00 0.00 C ATOM 0 H LEU A 38 1.064 -0.251 -6.758 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.809 -0.518 -7.460 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.645 -1.867 -8.585 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.996 -2.415 -8.863 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.069 0.384 -9.568 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.164 -0.411 -11.884 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.314 -1.216 -10.788 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.143 -2.077 -11.338 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.035 0.339 -11.054 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.433 -1.295 -10.471 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.488 0.088 -9.351 1.00 0.00 H new ATOM 504 N ALA A 39 -1.959 -1.903 -5.454 1.00 0.00 N ATOM 505 CA ALA A 39 -2.207 -2.804 -4.346 1.00 0.00 C ATOM 506 C ALA A 39 -3.064 -3.979 -4.805 1.00 0.00 C ATOM 507 O ALA A 39 -4.261 -3.831 -5.072 1.00 0.00 O ATOM 508 CB ALA A 39 -2.881 -2.033 -3.218 1.00 0.00 C ATOM 0 H ALA A 39 -2.683 -1.195 -5.580 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.264 -3.208 -3.978 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.071 -2.705 -2.381 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.230 -1.222 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.825 -1.620 -3.573 1.00 0.00 H new ATOM 514 N ARG A 40 -2.427 -5.144 -4.915 1.00 0.00 N ATOM 515 CA ARG A 40 -3.099 -6.368 -5.351 1.00 0.00 C ATOM 516 C ARG A 40 -4.048 -6.885 -4.263 1.00 0.00 C ATOM 517 O ARG A 40 -3.621 -7.149 -3.133 1.00 0.00 O ATOM 518 CB ARG A 40 -2.048 -7.429 -5.677 1.00 0.00 C ATOM 519 CG ARG A 40 -2.273 -8.161 -6.997 1.00 0.00 C ATOM 520 CD ARG A 40 -0.958 -8.427 -7.714 1.00 0.00 C ATOM 521 NE ARG A 40 -1.132 -9.299 -8.881 1.00 0.00 N ATOM 522 CZ ARG A 40 -0.140 -9.962 -9.493 1.00 0.00 C ATOM 523 NH1 ARG A 40 1.118 -9.870 -9.064 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -0.412 -10.722 -10.545 1.00 0.00 N ATOM 0 H ARG A 40 -1.436 -5.266 -4.706 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.690 -6.150 -6.240 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.067 -6.954 -5.702 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.027 -8.161 -4.870 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.784 -9.105 -6.809 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.925 -7.567 -7.638 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -0.521 -7.480 -8.031 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.254 -8.887 -7.020 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.075 -9.409 -9.254 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.340 -9.288 -8.257 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.859 -10.382 -9.543 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.371 -10.799 -10.884 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.338 -11.229 -11.015 1.00 0.00 H new ATOM 538 N TRP A 41 -5.332 -7.013 -4.612 1.00 0.00 N ATOM 539 CA TRP A 41 -6.351 -7.482 -3.668 1.00 0.00 C ATOM 540 C TRP A 41 -6.501 -9.013 -3.720 1.00 0.00 C ATOM 541 O TRP A 41 -6.111 -9.653 -4.701 1.00 0.00 O ATOM 542 CB TRP A 41 -7.687 -6.755 -3.926 1.00 0.00 C ATOM 543 CG TRP A 41 -8.682 -6.871 -2.795 1.00 0.00 C ATOM 544 CD1 TRP A 41 -9.943 -7.386 -2.875 1.00 0.00 C ATOM 545 CD2 TRP A 41 -8.507 -6.461 -1.424 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.559 -7.331 -1.649 1.00 0.00 N ATOM 547 CE2 TRP A 41 -9.701 -6.768 -0.744 1.00 0.00 C ATOM 548 CE3 TRP A 41 -7.460 -5.867 -0.704 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -9.876 -6.506 0.613 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -7.637 -5.609 0.641 1.00 0.00 C ATOM 551 CH2 TRP A 41 -8.837 -5.928 1.288 1.00 0.00 C ATOM 0 H TRP A 41 -5.691 -6.798 -5.542 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.029 -7.238 -2.656 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.484 -5.700 -4.110 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.137 -7.156 -4.834 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.392 -7.781 -3.774 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -11.504 -7.657 -1.446 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.531 -5.616 -1.193 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -10.801 -6.751 1.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -6.836 -5.153 1.204 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -8.944 -5.713 2.341 1.00 0.00 H new ATOM 562 N THR A 42 -7.075 -9.577 -2.643 1.00 0.00 N ATOM 563 CA THR A 42 -7.260 -11.036 -2.493 1.00 0.00 C ATOM 564 C THR A 42 -8.337 -11.638 -3.427 1.00 0.00 C ATOM 565 O THR A 42 -8.516 -12.860 -3.449 1.00 0.00 O ATOM 566 CB THR A 42 -7.561 -11.413 -1.006 1.00 0.00 C ATOM 567 OG1 THR A 42 -7.714 -12.833 -0.871 1.00 0.00 O ATOM 568 CG2 THR A 42 -8.812 -10.714 -0.460 1.00 0.00 C ATOM 0 H THR A 42 -7.424 -9.037 -1.851 1.00 0.00 H new ATOM 0 HA THR A 42 -6.312 -11.479 -2.799 1.00 0.00 H new ATOM 0 HB THR A 42 -6.708 -11.071 -0.420 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.890 -13.228 -1.750 1.00 0.00 H new ATOM 0 HG21 THR A 42 -8.973 -11.013 0.576 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.676 -9.634 -0.509 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.678 -10.998 -1.058 1.00 0.00 H new ATOM 576 N ASP A 43 -9.034 -10.789 -4.192 1.00 0.00 N ATOM 577 CA ASP A 43 -10.073 -11.259 -5.119 1.00 0.00 C ATOM 578 C ASP A 43 -9.489 -11.517 -6.514 1.00 0.00 C ATOM 579 O ASP A 43 -10.215 -11.882 -7.447 1.00 0.00 O ATOM 580 CB ASP A 43 -11.217 -10.241 -5.209 1.00 0.00 C ATOM 581 CG ASP A 43 -12.078 -10.217 -3.959 1.00 0.00 C ATOM 582 OD1 ASP A 43 -11.543 -9.912 -2.872 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -13.289 -10.504 -4.068 1.00 0.00 O ATOM 0 H ASP A 43 -8.899 -9.778 -4.188 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.467 -12.198 -4.731 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.802 -9.248 -5.379 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.841 -10.477 -6.071 1.00 0.00 H new ATOM 588 N GLY A 44 -8.166 -11.338 -6.636 1.00 0.00 N ATOM 589 CA GLY A 44 -7.483 -11.536 -7.906 1.00 0.00 C ATOM 590 C GLY A 44 -7.395 -10.259 -8.728 1.00 0.00 C ATOM 591 O GLY A 44 -6.686 -10.212 -9.737 1.00 0.00 O ATOM 0 H GLY A 44 -7.556 -11.057 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.478 -11.913 -7.719 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.008 -12.299 -8.481 1.00 0.00 H new ATOM 595 N LEU A 45 -8.124 -9.226 -8.286 1.00 0.00 N ATOM 596 CA LEU A 45 -8.151 -7.933 -8.964 1.00 0.00 C ATOM 597 C LEU A 45 -7.160 -6.957 -8.335 1.00 0.00 C ATOM 598 O LEU A 45 -6.875 -7.030 -7.136 1.00 0.00 O ATOM 599 CB LEU A 45 -9.561 -7.342 -8.916 1.00 0.00 C ATOM 600 CG LEU A 45 -10.609 -8.108 -9.725 1.00 0.00 C ATOM 601 CD1 LEU A 45 -11.803 -8.454 -8.854 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.042 -7.302 -10.939 1.00 0.00 C ATOM 0 H LEU A 45 -8.708 -9.267 -7.451 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.860 -8.093 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.886 -7.299 -7.876 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.521 -6.315 -9.280 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.162 -9.038 -10.077 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.539 -8.999 -9.445 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.477 -9.075 -8.019 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.252 -7.537 -8.471 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.788 -7.864 -11.502 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.471 -6.355 -10.613 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.178 -7.109 -11.575 1.00 0.00 H new ATOM 614 N LEU A 46 -6.645 -6.047 -9.165 1.00 0.00 N ATOM 615 CA LEU A 46 -5.684 -5.030 -8.741 1.00 0.00 C ATOM 616 C LEU A 46 -6.407 -3.773 -8.226 1.00 0.00 C ATOM 617 O LEU A 46 -7.588 -3.567 -8.519 1.00 0.00 O ATOM 618 CB LEU A 46 -4.781 -4.679 -9.937 1.00 0.00 C ATOM 619 CG LEU A 46 -3.590 -3.757 -9.677 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.532 -4.441 -8.818 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.014 -3.333 -11.009 1.00 0.00 C ATOM 0 H LEU A 46 -6.885 -5.996 -10.155 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.080 -5.421 -7.922 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.400 -5.611 -10.355 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.403 -4.217 -10.703 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.926 -2.881 -9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.700 -3.757 -8.653 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.967 -4.721 -7.859 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.172 -5.335 -9.328 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.162 -2.674 -10.844 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.689 -4.214 -11.562 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.775 -2.805 -11.583 1.00 0.00 H new ATOM 633 N TYR A 47 -5.669 -2.937 -7.483 1.00 0.00 N ATOM 634 CA TYR A 47 -6.206 -1.699 -6.911 1.00 0.00 C ATOM 635 C TYR A 47 -5.201 -0.566 -7.098 1.00 0.00 C ATOM 636 O TYR A 47 -4.019 -0.726 -6.781 1.00 0.00 O ATOM 637 CB TYR A 47 -6.490 -1.858 -5.398 1.00 0.00 C ATOM 638 CG TYR A 47 -7.744 -2.638 -4.976 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.702 -3.104 -5.879 1.00 0.00 C ATOM 640 CD2 TYR A 47 -7.963 -2.888 -3.624 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.822 -3.789 -5.448 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.081 -3.573 -3.190 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.007 -4.020 -4.105 1.00 0.00 C ATOM 644 OH TYR A 47 -11.122 -4.700 -3.674 1.00 0.00 O ATOM 0 H TYR A 47 -4.687 -3.101 -7.263 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.139 -1.472 -7.426 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.626 -2.345 -4.946 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.556 -0.860 -4.964 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.565 -2.925 -6.935 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.243 -2.539 -2.899 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.550 -4.142 -6.164 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.228 -3.757 -2.136 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.860 -5.589 -3.355 1.00 0.00 H new ATOM 654 N LEU A 48 -5.668 0.572 -7.620 1.00 0.00 N ATOM 655 CA LEU A 48 -4.805 1.738 -7.822 1.00 0.00 C ATOM 656 C LEU A 48 -4.938 2.685 -6.633 1.00 0.00 C ATOM 657 O LEU A 48 -6.053 2.989 -6.196 1.00 0.00 O ATOM 658 CB LEU A 48 -5.146 2.453 -9.146 1.00 0.00 C ATOM 659 CG LEU A 48 -4.387 3.767 -9.434 1.00 0.00 C ATOM 660 CD1 LEU A 48 -2.964 3.492 -9.907 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.139 4.597 -10.462 1.00 0.00 C ATOM 0 H LEU A 48 -6.636 0.710 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.769 1.406 -7.890 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -4.955 1.761 -9.966 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.215 2.668 -9.153 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.326 4.331 -8.503 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.456 4.437 -10.101 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.424 2.942 -9.136 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.993 2.901 -10.822 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.592 5.520 -10.655 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.233 4.031 -11.389 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.132 4.836 -10.081 1.00 0.00 H new ATOM 673 N GLY A 49 -3.794 3.141 -6.125 1.00 0.00 N ATOM 674 CA GLY A 49 -3.796 4.037 -4.979 1.00 0.00 C ATOM 675 C GLY A 49 -2.587 4.947 -4.904 1.00 0.00 C ATOM 676 O GLY A 49 -1.725 4.924 -5.780 1.00 0.00 O ATOM 0 H GLY A 49 -2.869 2.907 -6.485 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.697 4.649 -5.012 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.847 3.443 -4.067 1.00 0.00 H new ATOM 680 N THR A 50 -2.564 5.772 -3.855 1.00 0.00 N ATOM 681 CA THR A 50 -1.465 6.696 -3.587 1.00 0.00 C ATOM 682 C THR A 50 -1.044 6.542 -2.136 1.00 0.00 C ATOM 683 O THR A 50 -1.891 6.442 -1.247 1.00 0.00 O ATOM 684 CB THR A 50 -1.822 8.172 -3.876 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.116 8.272 -4.489 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.774 8.800 -4.787 1.00 0.00 C ATOM 0 H THR A 50 -3.313 5.816 -3.164 1.00 0.00 H new ATOM 0 HA THR A 50 -0.649 6.441 -4.263 1.00 0.00 H new ATOM 0 HB THR A 50 -1.841 8.708 -2.927 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.324 9.214 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.038 9.839 -4.982 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.201 8.758 -4.302 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.735 8.252 -5.729 1.00 0.00 H new ATOM 694 N ILE A 51 0.266 6.537 -1.904 1.00 0.00 N ATOM 695 CA ILE A 51 0.835 6.329 -0.565 1.00 0.00 C ATOM 696 C ILE A 51 0.573 7.494 0.393 1.00 0.00 C ATOM 697 O ILE A 51 1.018 8.620 0.173 1.00 0.00 O ATOM 698 CB ILE A 51 2.361 6.012 -0.663 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.581 4.768 -1.560 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.012 5.812 0.716 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.037 3.467 -0.984 1.00 0.00 C ATOM 0 H ILE A 51 0.966 6.676 -2.633 1.00 0.00 H new ATOM 0 HA ILE A 51 0.320 5.469 -0.137 1.00 0.00 H new ATOM 0 HB ILE A 51 2.849 6.876 -1.114 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.111 4.946 -2.527 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.649 4.651 -1.741 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.073 5.594 0.590 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.896 6.720 1.308 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.530 4.980 1.229 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.235 2.651 -1.678 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.524 3.259 -0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.962 3.559 -0.830 1.00 0.00 H new ATOM 713 N LYS A 52 -0.168 7.177 1.456 1.00 0.00 N ATOM 714 CA LYS A 52 -0.500 8.138 2.505 1.00 0.00 C ATOM 715 C LYS A 52 0.465 7.996 3.687 1.00 0.00 C ATOM 716 O LYS A 52 0.705 8.961 4.417 1.00 0.00 O ATOM 717 CB LYS A 52 -1.942 7.924 2.978 1.00 0.00 C ATOM 718 CG LYS A 52 -2.765 9.204 3.083 1.00 0.00 C ATOM 719 CD LYS A 52 -2.777 9.743 4.505 1.00 0.00 C ATOM 720 CE LYS A 52 -3.498 11.078 4.588 1.00 0.00 C ATOM 721 NZ LYS A 52 -3.334 11.715 5.924 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.554 6.246 1.612 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.405 9.144 2.096 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.440 7.241 2.290 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.924 7.437 3.953 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.355 9.958 2.410 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.787 9.009 2.758 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.264 9.024 5.164 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.753 9.859 4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.114 11.747 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -4.559 10.931 4.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.840 12.623 5.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.723 11.089 6.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.324 11.879 6.109 1.00 0.00 H new ATOM 735 N LYS A 53 1.013 6.778 3.863 1.00 0.00 N ATOM 736 CA LYS A 53 1.957 6.481 4.946 1.00 0.00 C ATOM 737 C LYS A 53 2.965 5.425 4.492 1.00 0.00 C ATOM 738 O LYS A 53 2.698 4.667 3.553 1.00 0.00 O ATOM 739 CB LYS A 53 1.218 6.001 6.209 1.00 0.00 C ATOM 740 CG LYS A 53 1.530 6.811 7.470 1.00 0.00 C ATOM 741 CD LYS A 53 2.796 6.327 8.181 1.00 0.00 C ATOM 742 CE LYS A 53 3.976 7.251 7.910 1.00 0.00 C ATOM 743 NZ LYS A 53 3.924 8.482 8.748 1.00 0.00 N1+ ATOM 0 H LYS A 53 0.812 5.980 3.260 1.00 0.00 H new ATOM 0 HA LYS A 53 2.490 7.399 5.193 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.145 6.039 6.024 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.473 4.957 6.390 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.646 7.861 7.203 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.685 6.748 8.156 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.614 6.273 9.254 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.039 5.318 7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.906 6.718 8.106 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.984 7.530 6.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.745 9.083 8.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.049 9.005 8.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 3.942 8.218 9.754 1.00 0.00 H new ATOM 757 N VAL A 54 4.118 5.378 5.169 1.00 0.00 N ATOM 758 CA VAL A 54 5.185 4.426 4.829 1.00 0.00 C ATOM 759 C VAL A 54 5.762 3.770 6.088 1.00 0.00 C ATOM 760 O VAL A 54 6.038 4.443 7.086 1.00 0.00 O ATOM 761 CB VAL A 54 6.335 5.111 4.012 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.491 4.150 3.731 1.00 0.00 C ATOM 763 CG2 VAL A 54 5.814 5.667 2.690 1.00 0.00 C ATOM 0 H VAL A 54 4.337 5.988 5.956 1.00 0.00 H new ATOM 0 HA VAL A 54 4.734 3.655 4.204 1.00 0.00 H new ATOM 0 HB VAL A 54 6.707 5.929 4.629 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.264 4.667 3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 54 7.908 3.797 4.674 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.126 3.300 3.155 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.633 6.136 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.398 4.856 2.093 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.038 6.407 2.887 1.00 0.00 H new ATOM 773 N ASP A 55 5.929 2.449 6.009 1.00 0.00 N ATOM 774 CA ASP A 55 6.494 1.649 7.093 1.00 0.00 C ATOM 775 C ASP A 55 7.713 0.874 6.571 1.00 0.00 C ATOM 776 O ASP A 55 7.612 -0.298 6.187 1.00 0.00 O ATOM 777 CB ASP A 55 5.433 0.697 7.667 1.00 0.00 C ATOM 778 CG ASP A 55 4.645 1.326 8.800 1.00 0.00 C ATOM 779 OD1 ASP A 55 3.659 2.037 8.514 1.00 0.00 O ATOM 780 OD2 ASP A 55 5.014 1.106 9.973 1.00 0.00 O1- ATOM 0 H ASP A 55 5.674 1.903 5.186 1.00 0.00 H new ATOM 0 HA ASP A 55 6.817 2.306 7.900 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.748 0.399 6.873 1.00 0.00 H new ATOM 0 HB3 ASP A 55 5.919 -0.210 8.026 1.00 0.00 H new ATOM 785 N SER A 56 8.868 1.558 6.552 1.00 0.00 N ATOM 786 CA SER A 56 10.131 0.982 6.064 1.00 0.00 C ATOM 787 C SER A 56 10.781 0.011 7.070 1.00 0.00 C ATOM 788 O SER A 56 11.859 -0.533 6.803 1.00 0.00 O ATOM 789 CB SER A 56 11.108 2.114 5.726 1.00 0.00 C ATOM 790 OG SER A 56 12.165 1.649 4.905 1.00 0.00 O ATOM 0 H SER A 56 8.953 2.522 6.873 1.00 0.00 H new ATOM 0 HA SER A 56 9.897 0.399 5.173 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.576 2.918 5.218 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.516 2.533 6.646 1.00 0.00 H new ATOM 0 HG SER A 56 12.438 0.754 5.198 1.00 0.00 H new ATOM 796 N ALA A 57 10.115 -0.213 8.209 1.00 0.00 N ATOM 797 CA ALA A 57 10.625 -1.115 9.246 1.00 0.00 C ATOM 798 C ALA A 57 10.129 -2.550 9.041 1.00 0.00 C ATOM 799 O ALA A 57 10.901 -3.504 9.181 1.00 0.00 O ATOM 800 CB ALA A 57 10.233 -0.607 10.627 1.00 0.00 C ATOM 0 H ALA A 57 9.219 0.220 8.435 1.00 0.00 H new ATOM 0 HA ALA A 57 11.712 -1.129 9.169 1.00 0.00 H new ATOM 0 HB1 ALA A 57 10.618 -1.286 11.387 1.00 0.00 H new ATOM 0 HB2 ALA A 57 10.653 0.387 10.782 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.147 -0.557 10.702 1.00 0.00 H new ATOM 806 N ARG A 58 8.838 -2.690 8.712 1.00 0.00 N ATOM 807 CA ARG A 58 8.222 -4.001 8.487 1.00 0.00 C ATOM 808 C ARG A 58 7.920 -4.242 6.998 1.00 0.00 C ATOM 809 O ARG A 58 7.270 -5.233 6.642 1.00 0.00 O ATOM 810 CB ARG A 58 6.931 -4.122 9.316 1.00 0.00 C ATOM 811 CG ARG A 58 7.162 -4.225 10.822 1.00 0.00 C ATOM 812 CD ARG A 58 7.400 -5.665 11.267 1.00 0.00 C ATOM 813 NE ARG A 58 6.213 -6.247 11.904 1.00 0.00 N ATOM 814 CZ ARG A 58 5.850 -7.534 11.813 1.00 0.00 C ATOM 815 NH1 ARG A 58 6.572 -8.406 11.111 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 4.754 -7.952 12.433 1.00 0.00 N ATOM 0 H ARG A 58 8.198 -1.905 8.596 1.00 0.00 H new ATOM 0 HA ARG A 58 8.933 -4.763 8.806 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.301 -3.256 9.115 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.380 -5.002 8.983 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.020 -3.613 11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.298 -3.821 11.350 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.681 -6.269 10.405 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.237 -5.695 11.964 1.00 0.00 H new ATOM 0 HE ARG A 58 5.621 -5.627 12.456 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.418 -8.098 10.631 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.279 -9.381 11.054 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.193 -7.295 12.975 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.473 -8.930 12.367 1.00 0.00 H new ATOM 830 N GLU A 59 8.413 -3.336 6.122 1.00 0.00 N ATOM 831 CA GLU A 59 8.203 -3.415 4.652 1.00 0.00 C ATOM 832 C GLU A 59 6.710 -3.320 4.293 1.00 0.00 C ATOM 833 O GLU A 59 6.171 -4.139 3.537 1.00 0.00 O ATOM 834 CB GLU A 59 8.841 -4.691 4.058 1.00 0.00 C ATOM 835 CG GLU A 59 10.364 -4.656 4.013 1.00 0.00 C ATOM 836 CD GLU A 59 10.899 -4.045 2.731 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.729 -4.664 1.659 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.491 -2.948 2.801 1.00 0.00 O1- ATOM 0 H GLU A 59 8.967 -2.530 6.411 1.00 0.00 H new ATOM 0 HA GLU A 59 8.705 -2.557 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.524 -5.552 4.647 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.461 -4.839 3.047 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.735 -4.086 4.865 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.750 -5.670 4.116 1.00 0.00 H new ATOM 845 N VAL A 60 6.058 -2.296 4.856 1.00 0.00 N ATOM 846 CA VAL A 60 4.627 -2.042 4.633 1.00 0.00 C ATOM 847 C VAL A 60 4.402 -0.547 4.361 1.00 0.00 C ATOM 848 O VAL A 60 5.262 0.279 4.669 1.00 0.00 O ATOM 849 CB VAL A 60 3.754 -2.476 5.855 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.289 -2.656 5.463 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.267 -3.762 6.505 1.00 0.00 C ATOM 0 H VAL A 60 6.504 -1.621 5.477 1.00 0.00 H new ATOM 0 HA VAL A 60 4.322 -2.637 3.772 1.00 0.00 H new ATOM 0 HB VAL A 60 3.832 -1.668 6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.713 -2.958 6.338 1.00 0.00 H new ATOM 0 HG12 VAL A 60 1.897 -1.715 5.077 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.210 -3.424 4.694 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.628 -4.023 7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.251 -4.571 5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.288 -3.610 6.856 1.00 0.00 H new ATOM 861 N CYS A 61 3.249 -0.215 3.755 1.00 0.00 N ATOM 862 CA CYS A 61 2.887 1.175 3.444 1.00 0.00 C ATOM 863 C CYS A 61 1.380 1.340 3.380 1.00 0.00 C ATOM 864 O CYS A 61 0.669 0.437 2.929 1.00 0.00 O ATOM 865 CB CYS A 61 3.484 1.624 2.106 1.00 0.00 C ATOM 866 SG CYS A 61 5.156 2.295 2.242 1.00 0.00 S ATOM 0 H CYS A 61 2.548 -0.898 3.470 1.00 0.00 H new ATOM 0 HA CYS A 61 3.293 1.794 4.244 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.498 0.776 1.422 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.834 2.379 1.664 1.00 0.00 H new ATOM 0 HG CYS A 61 5.345 3.181 1.310 1.00 0.00 H new ATOM 872 N LEU A 62 0.903 2.501 3.835 1.00 0.00 N ATOM 873 CA LEU A 62 -0.518 2.815 3.796 1.00 0.00 C ATOM 874 C LEU A 62 -0.799 3.643 2.561 1.00 0.00 C ATOM 875 O LEU A 62 -0.060 4.583 2.261 1.00 0.00 O ATOM 876 CB LEU A 62 -0.977 3.580 5.046 1.00 0.00 C ATOM 877 CG LEU A 62 -2.328 3.147 5.675 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.436 2.999 4.624 1.00 0.00 C ATOM 879 CD2 LEU A 62 -2.167 1.858 6.468 1.00 0.00 C ATOM 0 H LEU A 62 1.485 3.237 4.234 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.073 1.878 3.768 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.202 3.484 5.807 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.044 4.638 4.791 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.632 3.942 6.356 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.362 2.695 5.112 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.588 3.953 4.119 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.146 2.244 3.893 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.127 1.574 6.900 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.818 1.065 5.807 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.441 2.010 7.267 1.00 0.00 H new ATOM 891 N VAL A 63 -1.861 3.288 1.851 1.00 0.00 N ATOM 892 CA VAL A 63 -2.215 3.975 0.619 1.00 0.00 C ATOM 893 C VAL A 63 -3.716 4.254 0.543 1.00 0.00 C ATOM 894 O VAL A 63 -4.536 3.458 1.016 1.00 0.00 O ATOM 895 CB VAL A 63 -1.716 3.177 -0.647 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.079 1.846 -0.269 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.819 2.944 -1.669 1.00 0.00 C ATOM 0 H VAL A 63 -2.492 2.528 2.108 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.704 4.938 0.625 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.958 3.811 -1.108 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.750 1.331 -1.171 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.222 2.024 0.380 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.809 1.229 0.255 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.417 2.391 -2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.625 2.371 -1.210 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.206 3.904 -2.012 1.00 0.00 H new ATOM 907 N GLN A 64 -4.046 5.407 -0.045 1.00 0.00 N ATOM 908 CA GLN A 64 -5.430 5.817 -0.257 1.00 0.00 C ATOM 909 C GLN A 64 -5.816 5.430 -1.685 1.00 0.00 C ATOM 910 O GLN A 64 -4.969 5.458 -2.584 1.00 0.00 O ATOM 911 CB GLN A 64 -5.604 7.328 -0.038 1.00 0.00 C ATOM 912 CG GLN A 64 -7.045 7.755 0.254 1.00 0.00 C ATOM 913 CD GLN A 64 -7.180 8.536 1.548 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.585 9.602 1.712 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.972 8.010 2.476 1.00 0.00 N ATOM 0 H GLN A 64 -3.359 6.080 -0.386 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.079 5.317 0.462 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.969 7.640 0.791 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.253 7.856 -0.925 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.412 8.364 -0.572 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.678 6.869 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.446 7.124 2.299 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.106 8.492 3.365 1.00 0.00 H new ATOM 924 N PHE A 65 -7.079 5.082 -1.897 1.00 0.00 N ATOM 925 CA PHE A 65 -7.528 4.634 -3.209 1.00 0.00 C ATOM 926 C PHE A 65 -8.531 5.591 -3.856 1.00 0.00 C ATOM 927 O PHE A 65 -8.948 6.578 -3.242 1.00 0.00 O ATOM 928 CB PHE A 65 -8.083 3.213 -3.064 1.00 0.00 C ATOM 929 CG PHE A 65 -7.063 2.244 -2.506 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.741 2.235 -1.155 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.414 1.366 -3.341 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.793 1.364 -0.660 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.466 0.492 -2.853 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.154 0.491 -1.512 1.00 0.00 C ATOM 0 H PHE A 65 -7.806 5.101 -1.182 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.679 4.627 -3.893 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.955 3.233 -2.411 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.421 2.858 -4.037 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -7.239 2.919 -0.484 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.650 1.361 -4.395 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.553 1.367 0.393 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.968 -0.193 -3.523 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.410 -0.192 -1.129 1.00 0.00 H new ATOM 944 N GLU A 66 -8.914 5.281 -5.114 1.00 0.00 N ATOM 945 CA GLU A 66 -9.836 6.113 -5.897 1.00 0.00 C ATOM 946 C GLU A 66 -11.243 6.167 -5.299 1.00 0.00 C ATOM 947 O GLU A 66 -11.880 7.225 -5.327 1.00 0.00 O ATOM 948 CB GLU A 66 -9.907 5.610 -7.340 1.00 0.00 C ATOM 949 CG GLU A 66 -10.007 6.731 -8.374 1.00 0.00 C ATOM 950 CD GLU A 66 -8.653 7.263 -8.835 1.00 0.00 C ATOM 951 OE1 GLU A 66 -7.664 6.495 -8.826 1.00 0.00 O ATOM 952 OE2 GLU A 66 -8.587 8.450 -9.220 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.591 4.449 -5.608 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.437 7.127 -5.875 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.022 5.010 -7.551 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.770 4.952 -7.445 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.558 6.366 -9.241 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.585 7.553 -7.951 1.00 0.00 H new ATOM 959 N ASP A 67 -11.728 5.038 -4.761 1.00 0.00 N ATOM 960 CA ASP A 67 -13.064 5.004 -4.170 1.00 0.00 C ATOM 961 C ASP A 67 -13.022 5.353 -2.661 1.00 0.00 C ATOM 962 O ASP A 67 -13.829 4.859 -1.864 1.00 0.00 O ATOM 963 CB ASP A 67 -13.722 3.640 -4.458 1.00 0.00 C ATOM 964 CG ASP A 67 -15.218 3.623 -4.186 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.976 4.202 -4.992 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.628 3.030 -3.166 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.222 4.153 -4.725 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.685 5.772 -4.632 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.546 3.373 -5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.240 2.876 -3.848 1.00 0.00 H new ATOM 971 N ASP A 68 -12.059 6.236 -2.287 1.00 0.00 N ATOM 972 CA ASP A 68 -11.874 6.734 -0.902 1.00 0.00 C ATOM 973 C ASP A 68 -11.718 5.608 0.137 1.00 0.00 C ATOM 974 O ASP A 68 -12.505 5.499 1.087 1.00 0.00 O ATOM 975 CB ASP A 68 -13.018 7.691 -0.508 1.00 0.00 C ATOM 976 CG ASP A 68 -12.798 9.100 -1.025 1.00 0.00 C ATOM 977 OD1 ASP A 68 -11.993 9.836 -0.419 1.00 0.00 O ATOM 978 OD2 ASP A 68 -13.432 9.466 -2.038 1.00 0.00 O1- ATOM 0 H ASP A 68 -11.384 6.624 -2.946 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.933 7.283 -0.898 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.960 7.307 -0.899 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -13.110 7.716 0.578 1.00 0.00 H new ATOM 983 N SER A 69 -10.696 4.771 -0.059 1.00 0.00 N ATOM 984 CA SER A 69 -10.423 3.662 0.854 1.00 0.00 C ATOM 985 C SER A 69 -9.004 3.724 1.396 1.00 0.00 C ATOM 986 O SER A 69 -8.065 4.048 0.667 1.00 0.00 O ATOM 987 CB SER A 69 -10.643 2.317 0.152 1.00 0.00 C ATOM 988 OG SER A 69 -11.230 1.374 1.032 1.00 0.00 O ATOM 0 H SER A 69 -10.045 4.841 -0.841 1.00 0.00 H new ATOM 0 HA SER A 69 -11.117 3.752 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.286 2.457 -0.717 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.691 1.934 -0.214 1.00 0.00 H new ATOM 0 HG SER A 69 -11.362 0.525 0.561 1.00 0.00 H new ATOM 994 N GLN A 70 -8.870 3.441 2.693 1.00 0.00 N ATOM 995 CA GLN A 70 -7.570 3.405 3.351 1.00 0.00 C ATOM 996 C GLN A 70 -7.237 1.950 3.654 1.00 0.00 C ATOM 997 O GLN A 70 -7.679 1.387 4.664 1.00 0.00 O ATOM 998 CB GLN A 70 -7.568 4.258 4.627 1.00 0.00 C ATOM 999 CG GLN A 70 -7.004 5.658 4.421 1.00 0.00 C ATOM 1000 CD GLN A 70 -5.490 5.708 4.509 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.919 5.676 5.600 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.832 5.785 3.359 1.00 0.00 N ATOM 0 H GLN A 70 -9.655 3.232 3.310 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.809 3.829 2.696 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.588 4.337 5.003 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.984 3.749 5.394 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.318 6.030 3.446 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.428 6.328 5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.346 5.809 2.478 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.813 5.820 3.356 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.466 1.346 2.752 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.108 -0.062 2.864 1.00 0.00 C ATOM 1013 C PHE A 71 -4.601 -0.254 3.021 1.00 0.00 C ATOM 1014 O PHE A 71 -3.810 0.205 2.191 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.642 -0.805 1.620 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.044 -1.388 1.732 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.890 -1.119 2.812 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.518 -2.211 0.723 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -10.158 -1.663 2.872 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.787 -2.755 0.782 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.607 -2.482 1.858 1.00 0.00 C ATOM 0 H PHE A 71 -6.077 1.814 1.933 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.564 -0.477 3.763 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.625 -0.115 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.952 -1.615 1.383 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.547 -0.477 3.610 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.885 -2.431 -0.124 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.799 -1.447 3.714 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.137 -3.394 -0.015 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.598 -2.909 1.906 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.228 -0.943 4.113 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.829 -1.240 4.446 1.00 0.00 C ATOM 1033 C LEU A 72 -2.280 -2.335 3.514 1.00 0.00 C ATOM 1034 O LEU A 72 -2.753 -3.477 3.541 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.750 -1.684 5.918 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.342 -1.889 6.492 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -1.211 -1.216 7.847 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -1.029 -3.374 6.604 1.00 0.00 C ATOM 0 H LEU A 72 -4.895 -1.311 4.792 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.219 -0.347 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.263 -0.940 6.528 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.302 -2.618 6.024 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.623 -1.431 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.205 -1.374 8.236 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.396 -0.147 7.742 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.938 -1.644 8.537 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -0.027 -3.505 7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.755 -3.850 7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.081 -3.832 5.616 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.295 -1.968 2.691 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.693 -2.912 1.736 1.00 0.00 C ATOM 1052 C VAL A 73 0.784 -3.159 2.027 1.00 0.00 C ATOM 1053 O VAL A 73 1.484 -2.284 2.542 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.824 -2.449 0.256 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -0.956 -3.652 -0.677 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -1.993 -1.485 0.063 1.00 0.00 C ATOM 0 H VAL A 73 -0.896 -1.030 2.663 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.257 -3.835 1.868 1.00 0.00 H new ATOM 0 HB VAL A 73 0.088 -1.910 0.001 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.046 -3.306 -1.707 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.073 -4.284 -0.583 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.843 -4.226 -0.408 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.049 -1.186 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.922 -1.978 0.350 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.843 -0.602 0.685 1.00 0.00 H new ATOM 1066 N LEU A 74 1.233 -4.369 1.671 1.00 0.00 N ATOM 1067 CA LEU A 74 2.623 -4.787 1.851 1.00 0.00 C ATOM 1068 C LEU A 74 3.443 -4.438 0.613 1.00 0.00 C ATOM 1069 O LEU A 74 2.913 -4.427 -0.501 1.00 0.00 O ATOM 1070 CB LEU A 74 2.712 -6.311 2.100 1.00 0.00 C ATOM 1071 CG LEU A 74 1.989 -6.885 3.344 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.228 -6.034 4.583 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.495 -7.052 3.086 1.00 0.00 C ATOM 0 H LEU A 74 0.640 -5.084 1.250 1.00 0.00 H new ATOM 0 HA LEU A 74 3.021 -4.260 2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.316 -6.817 1.220 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.766 -6.577 2.174 1.00 0.00 H new ATOM 0 HG LEU A 74 2.416 -7.870 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.703 -6.472 5.432 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.296 -5.995 4.797 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.856 -5.024 4.408 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.015 -7.457 3.977 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.057 -6.083 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.344 -7.736 2.251 1.00 0.00 H new ATOM 1085 N TRP A 75 4.744 -4.180 0.810 1.00 0.00 N ATOM 1086 CA TRP A 75 5.660 -3.831 -0.295 1.00 0.00 C ATOM 1087 C TRP A 75 5.775 -4.960 -1.336 1.00 0.00 C ATOM 1088 O TRP A 75 6.272 -4.735 -2.445 1.00 0.00 O ATOM 1089 CB TRP A 75 7.054 -3.473 0.248 1.00 0.00 C ATOM 1090 CG TRP A 75 7.126 -2.169 1.015 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.098 -1.508 1.637 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.304 -1.374 1.253 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.560 -0.363 2.229 1.00 0.00 N ATOM 1094 CE2 TRP A 75 7.905 -0.256 2.011 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.655 -1.494 0.898 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.801 0.727 2.421 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.542 -0.514 1.308 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.110 0.584 2.063 1.00 0.00 C ATOM 0 H TRP A 75 5.191 -4.206 1.727 1.00 0.00 H new ATOM 0 HA TRP A 75 5.234 -2.962 -0.797 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.392 -4.279 0.899 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.752 -3.425 -0.588 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.071 -1.843 1.657 1.00 0.00 H new ATOM 0 HE1 TRP A 75 5.991 0.304 2.750 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.997 -2.336 0.315 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.471 1.575 3.003 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.585 -0.597 1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.827 1.332 2.368 1.00 0.00 H new ATOM 1109 N LYS A 76 5.311 -6.167 -0.967 1.00 0.00 N ATOM 1110 CA LYS A 76 5.344 -7.333 -1.867 1.00 0.00 C ATOM 1111 C LYS A 76 4.095 -7.387 -2.764 1.00 0.00 C ATOM 1112 O LYS A 76 4.161 -7.874 -3.896 1.00 0.00 O ATOM 1113 CB LYS A 76 5.495 -8.654 -1.077 1.00 0.00 C ATOM 1114 CG LYS A 76 4.626 -8.771 0.174 1.00 0.00 C ATOM 1115 CD LYS A 76 4.763 -10.140 0.822 1.00 0.00 C ATOM 1116 CE LYS A 76 4.723 -10.044 2.340 1.00 0.00 C ATOM 1117 NZ LYS A 76 6.044 -9.656 2.907 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.908 -6.360 -0.050 1.00 0.00 H new ATOM 0 HA LYS A 76 6.219 -7.217 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.259 -9.485 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.539 -8.766 -0.785 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.910 -7.999 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.583 -8.594 -0.088 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.959 -10.790 0.476 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.701 -10.599 0.510 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.971 -9.313 2.638 1.00 0.00 H new ATOM 0 HE3 LYS A 76 4.417 -11.004 2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.975 -9.602 3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.757 -10.367 2.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 6.325 -8.728 2.530 1.00 0.00 H new ATOM 1131 N ASP A 77 2.968 -6.882 -2.242 1.00 0.00 N ATOM 1132 CA ASP A 77 1.696 -6.852 -2.980 1.00 0.00 C ATOM 1133 C ASP A 77 1.517 -5.526 -3.731 1.00 0.00 C ATOM 1134 O ASP A 77 0.494 -5.314 -4.395 1.00 0.00 O ATOM 1135 CB ASP A 77 0.525 -7.053 -2.015 1.00 0.00 C ATOM 1136 CG ASP A 77 0.018 -8.482 -2.008 1.00 0.00 C ATOM 1137 OD1 ASP A 77 -0.626 -8.887 -2.998 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 0.264 -9.194 -1.012 1.00 0.00 O ATOM 0 H ASP A 77 2.912 -6.486 -1.304 1.00 0.00 H new ATOM 0 HA ASP A 77 1.715 -7.661 -3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.837 -6.776 -1.008 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.289 -6.383 -2.292 1.00 0.00 H new ATOM 1143 N ILE A 78 2.524 -4.653 -3.636 1.00 0.00 N ATOM 1144 CA ILE A 78 2.475 -3.341 -4.276 1.00 0.00 C ATOM 1145 C ILE A 78 3.312 -3.305 -5.562 1.00 0.00 C ATOM 1146 O ILE A 78 4.412 -3.859 -5.621 1.00 0.00 O ATOM 1147 CB ILE A 78 2.929 -2.223 -3.290 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.916 -2.113 -2.136 1.00 0.00 C ATOM 1149 CG2 ILE A 78 3.071 -0.873 -4.000 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.448 -1.433 -0.894 1.00 0.00 C ATOM 0 H ILE A 78 3.385 -4.835 -3.120 1.00 0.00 H new ATOM 0 HA ILE A 78 1.438 -3.153 -4.554 1.00 0.00 H new ATOM 0 HB ILE A 78 3.908 -2.492 -2.894 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.042 -1.565 -2.488 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.578 -3.115 -1.870 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.389 -0.116 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.814 -0.956 -4.794 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.111 -0.585 -4.430 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.667 -1.400 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.303 -1.991 -0.512 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.758 -0.417 -1.140 1.00 0.00 H new ATOM 1162 N SER A 79 2.753 -2.637 -6.578 1.00 0.00 N ATOM 1163 CA SER A 79 3.402 -2.463 -7.875 1.00 0.00 C ATOM 1164 C SER A 79 3.352 -0.976 -8.274 1.00 0.00 C ATOM 1165 O SER A 79 2.280 -0.477 -8.624 1.00 0.00 O ATOM 1166 CB SER A 79 2.713 -3.328 -8.942 1.00 0.00 C ATOM 1167 OG SER A 79 3.656 -4.122 -9.641 1.00 0.00 O ATOM 0 H SER A 79 1.833 -2.201 -6.519 1.00 0.00 H new ATOM 0 HA SER A 79 4.442 -2.781 -7.801 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.970 -3.971 -8.470 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.180 -2.688 -9.645 1.00 0.00 H new ATOM 0 HG SER A 79 3.193 -4.664 -10.313 1.00 0.00 H new ATOM 1173 N PRO A 80 4.496 -0.220 -8.210 1.00 0.00 N ATOM 1174 CA PRO A 80 4.517 1.219 -8.573 1.00 0.00 C ATOM 1175 C PRO A 80 3.918 1.501 -9.957 1.00 0.00 C ATOM 1176 O PRO A 80 4.368 0.954 -10.969 1.00 0.00 O ATOM 1177 CB PRO A 80 6.008 1.570 -8.536 1.00 0.00 C ATOM 1178 CG PRO A 80 6.581 0.615 -7.553 1.00 0.00 C ATOM 1179 CD PRO A 80 5.837 -0.675 -7.766 1.00 0.00 C ATOM 0 HA PRO A 80 3.908 1.816 -7.894 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.469 1.456 -9.517 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.167 2.603 -8.227 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.651 0.482 -7.713 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.454 0.978 -6.533 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.320 -1.300 -8.517 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.780 -1.264 -6.850 1.00 0.00 H new ATOM 1187 N ALA A 81 2.888 2.358 -9.970 1.00 0.00 N ATOM 1188 CA ALA A 81 2.179 2.735 -11.199 1.00 0.00 C ATOM 1189 C ALA A 81 3.005 3.678 -12.082 1.00 0.00 C ATOM 1190 O ALA A 81 4.016 4.230 -11.639 1.00 0.00 O ATOM 1191 CB ALA A 81 0.843 3.377 -10.845 1.00 0.00 C ATOM 0 H ALA A 81 2.524 2.808 -9.130 1.00 0.00 H new ATOM 0 HA ALA A 81 2.010 1.825 -11.775 1.00 0.00 H new ATOM 0 HB1 ALA A 81 0.320 3.656 -11.760 1.00 0.00 H new ATOM 0 HB2 ALA A 81 0.237 2.668 -10.281 1.00 0.00 H new ATOM 0 HB3 ALA A 81 1.016 4.267 -10.240 1.00 0.00 H new