USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=9 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= -0.414 K(o=-0.41,f=-1.6) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0176 USER MOD Single : A 47 TYR OH : rot 77:sc= 2.09 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+ -142:sc= 1.08 (180deg=0.0473) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 61 CYS SG : rot 21:sc= -13.7! USER MOD Single : A 64 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.69) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.87 K(o=-1.9,f=-1.1) USER MOD Single : A 76 LYS NZ :NH3+ 137:sc= -1.07 (180deg=-2.69!) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 375 N LEU A 31 8.864 3.691 -1.971 1.00 0.00 N ATOM 376 CA LEU A 31 7.608 4.073 -1.313 1.00 0.00 C ATOM 377 C LEU A 31 7.750 5.426 -0.618 1.00 0.00 C ATOM 378 O LEU A 31 8.594 5.597 0.268 1.00 0.00 O ATOM 379 CB LEU A 31 7.181 2.989 -0.301 1.00 0.00 C ATOM 380 CG LEU A 31 6.282 1.839 -0.831 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.273 2.320 -1.865 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.116 0.706 -1.408 1.00 0.00 C ATOM 0 HA LEU A 31 6.835 4.162 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.083 2.546 0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.655 3.480 0.518 1.00 0.00 H new ATOM 0 HG LEU A 31 5.725 1.466 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.669 1.478 -2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.625 3.074 -1.418 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.801 2.753 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.457 -0.083 -1.770 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.719 1.083 -2.234 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.770 0.305 -0.634 1.00 0.00 H new ATOM 394 N TRP A 32 6.915 6.387 -1.043 1.00 0.00 N ATOM 395 CA TRP A 32 6.924 7.752 -0.488 1.00 0.00 C ATOM 396 C TRP A 32 5.511 8.346 -0.508 1.00 0.00 C ATOM 397 O TRP A 32 4.649 7.870 -1.250 1.00 0.00 O ATOM 398 CB TRP A 32 7.899 8.669 -1.271 1.00 0.00 C ATOM 399 CG TRP A 32 7.838 8.509 -2.771 1.00 0.00 C ATOM 400 CD1 TRP A 32 6.808 8.879 -3.587 1.00 0.00 C ATOM 401 CD2 TRP A 32 8.842 7.939 -3.628 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.097 8.560 -4.888 1.00 0.00 N ATOM 403 CE2 TRP A 32 8.341 7.989 -4.942 1.00 0.00 C ATOM 404 CE3 TRP A 32 10.113 7.388 -3.414 1.00 0.00 C ATOM 405 CZ2 TRP A 32 9.062 7.513 -6.035 1.00 0.00 C ATOM 406 CZ3 TRP A 32 10.826 6.918 -4.501 1.00 0.00 C ATOM 407 CH2 TRP A 32 10.299 6.983 -5.797 1.00 0.00 C ATOM 0 H TRP A 32 6.219 6.243 -1.775 1.00 0.00 H new ATOM 0 HA TRP A 32 7.269 7.691 0.544 1.00 0.00 H new ATOM 0 HB2 TRP A 32 7.683 9.707 -1.020 1.00 0.00 H new ATOM 0 HB3 TRP A 32 8.917 8.466 -0.937 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.897 9.354 -3.255 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.484 8.722 -5.687 1.00 0.00 H new ATOM 0 HE3 TRP A 32 10.528 7.332 -2.418 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 8.658 7.561 -7.035 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 11.807 6.493 -4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 32 10.882 6.607 -6.625 1.00 0.00 H new ATOM 418 N GLU A 33 5.291 9.402 0.294 1.00 0.00 N ATOM 419 CA GLU A 33 3.979 10.067 0.385 1.00 0.00 C ATOM 420 C GLU A 33 3.569 10.703 -0.951 1.00 0.00 C ATOM 421 O GLU A 33 4.234 11.619 -1.449 1.00 0.00 O ATOM 422 CB GLU A 33 4.000 11.128 1.492 1.00 0.00 C ATOM 423 CG GLU A 33 3.827 10.555 2.889 1.00 0.00 C ATOM 424 CD GLU A 33 3.591 11.628 3.934 1.00 0.00 C ATOM 425 OE1 GLU A 33 2.429 12.057 4.094 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 4.569 12.040 4.593 1.00 0.00 O ATOM 0 H GLU A 33 6.008 9.815 0.891 1.00 0.00 H new ATOM 0 HA GLU A 33 3.238 9.305 0.629 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.944 11.671 1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.207 11.852 1.305 1.00 0.00 H new ATOM 0 HG2 GLU A 33 2.987 9.860 2.891 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.715 9.983 3.156 1.00 0.00 H new ATOM 433 N GLY A 34 2.471 10.189 -1.519 1.00 0.00 N ATOM 434 CA GLY A 34 1.962 10.677 -2.794 1.00 0.00 C ATOM 435 C GLY A 34 2.445 9.836 -3.962 1.00 0.00 C ATOM 436 O GLY A 34 2.649 10.356 -5.063 1.00 0.00 O ATOM 0 H GLY A 34 1.921 9.434 -1.110 1.00 0.00 H new ATOM 0 HA2 GLY A 34 0.872 10.676 -2.773 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.277 11.711 -2.938 1.00 0.00 H new ATOM 440 N GLN A 35 2.626 8.534 -3.712 1.00 0.00 N ATOM 441 CA GLN A 35 3.091 7.602 -4.729 1.00 0.00 C ATOM 442 C GLN A 35 1.930 6.735 -5.206 1.00 0.00 C ATOM 443 O GLN A 35 1.341 5.989 -4.416 1.00 0.00 O ATOM 444 CB GLN A 35 4.245 6.744 -4.146 1.00 0.00 C ATOM 445 CG GLN A 35 4.560 5.442 -4.901 1.00 0.00 C ATOM 446 CD GLN A 35 5.853 5.507 -5.693 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.115 6.470 -6.418 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.664 4.466 -5.566 1.00 0.00 N ATOM 0 H GLN A 35 2.454 8.105 -2.803 1.00 0.00 H new ATOM 0 HA GLN A 35 3.473 8.147 -5.592 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.148 7.354 -4.120 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.000 6.493 -3.114 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.620 4.621 -4.187 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.737 5.215 -5.579 1.00 0.00 H new ATOM 0 HE21 GLN A 35 6.407 3.691 -4.955 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.545 4.440 -6.079 1.00 0.00 H new ATOM 457 N ASP A 36 1.595 6.843 -6.503 1.00 0.00 N ATOM 458 CA ASP A 36 0.525 6.032 -7.086 1.00 0.00 C ATOM 459 C ASP A 36 0.992 4.583 -7.134 1.00 0.00 C ATOM 460 O ASP A 36 1.887 4.223 -7.908 1.00 0.00 O ATOM 461 CB ASP A 36 0.125 6.531 -8.479 1.00 0.00 C ATOM 462 CG ASP A 36 -0.613 7.856 -8.433 1.00 0.00 C ATOM 463 OD1 ASP A 36 -1.849 7.840 -8.244 1.00 0.00 O ATOM 464 OD2 ASP A 36 0.043 8.907 -8.586 1.00 0.00 O1- ATOM 0 H ASP A 36 2.048 7.480 -7.159 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.366 6.114 -6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.019 6.638 -9.093 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.506 5.784 -8.961 1.00 0.00 H new ATOM 469 N VAL A 37 0.382 3.772 -6.283 1.00 0.00 N ATOM 470 CA VAL A 37 0.749 2.371 -6.143 1.00 0.00 C ATOM 471 C VAL A 37 -0.358 1.427 -6.585 1.00 0.00 C ATOM 472 O VAL A 37 -1.519 1.822 -6.727 1.00 0.00 O ATOM 473 CB VAL A 37 1.103 2.038 -4.664 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.429 2.676 -4.270 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.023 2.449 -3.696 1.00 0.00 C ATOM 0 H VAL A 37 -0.380 4.066 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 37 1.614 2.224 -6.790 1.00 0.00 H new ATOM 0 HB VAL A 37 1.209 0.956 -4.588 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.657 2.430 -3.233 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.221 2.297 -4.915 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.359 3.758 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.265 2.199 -2.675 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.194 3.523 -3.772 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -0.938 1.917 -3.955 1.00 0.00 H new ATOM 485 N LEU A 38 0.038 0.175 -6.794 1.00 0.00 N ATOM 486 CA LEU A 38 -0.880 -0.873 -7.175 1.00 0.00 C ATOM 487 C LEU A 38 -0.908 -1.920 -6.082 1.00 0.00 C ATOM 488 O LEU A 38 -0.007 -2.759 -5.960 1.00 0.00 O ATOM 489 CB LEU A 38 -0.478 -1.465 -8.529 1.00 0.00 C ATOM 490 CG LEU A 38 -0.640 -0.516 -9.721 1.00 0.00 C ATOM 491 CD1 LEU A 38 0.085 -1.056 -10.941 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.112 -0.294 -10.028 1.00 0.00 C ATOM 0 H LEU A 38 1.006 -0.133 -6.702 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.886 -0.470 -7.291 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.563 -1.783 -8.475 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.076 -2.358 -8.710 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.194 0.443 -9.458 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.043 -0.366 -11.775 1.00 0.00 H new ATOM 0 HD12 LEU A 38 1.147 -1.161 -10.717 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.327 -2.029 -11.208 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.209 0.382 -10.877 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.581 -1.248 -10.269 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.603 0.143 -9.159 1.00 0.00 H new ATOM 504 N ALA A 39 -1.961 -1.835 -5.280 1.00 0.00 N ATOM 505 CA ALA A 39 -2.180 -2.734 -4.165 1.00 0.00 C ATOM 506 C ALA A 39 -3.047 -3.904 -4.616 1.00 0.00 C ATOM 507 O ALA A 39 -4.242 -3.744 -4.880 1.00 0.00 O ATOM 508 CB ALA A 39 -2.830 -1.963 -3.022 1.00 0.00 C ATOM 0 H ALA A 39 -2.692 -1.132 -5.390 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.231 -3.137 -3.810 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -2.998 -2.634 -2.180 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.174 -1.149 -2.713 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.784 -1.554 -3.355 1.00 0.00 H new ATOM 514 N ARG A 40 -2.425 -5.076 -4.730 1.00 0.00 N ATOM 515 CA ARG A 40 -3.114 -6.291 -5.168 1.00 0.00 C ATOM 516 C ARG A 40 -4.106 -6.782 -4.108 1.00 0.00 C ATOM 517 O ARG A 40 -3.736 -6.971 -2.944 1.00 0.00 O ATOM 518 CB ARG A 40 -2.082 -7.384 -5.460 1.00 0.00 C ATOM 519 CG ARG A 40 -2.311 -8.144 -6.767 1.00 0.00 C ATOM 520 CD ARG A 40 -3.335 -9.267 -6.615 1.00 0.00 C ATOM 521 NE ARG A 40 -2.716 -10.592 -6.726 1.00 0.00 N ATOM 522 CZ ARG A 40 -2.845 -11.409 -7.783 1.00 0.00 C ATOM 523 NH1 ARG A 40 -3.574 -11.059 -8.840 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -2.237 -12.588 -7.777 1.00 0.00 N ATOM 0 H ARG A 40 -1.435 -5.211 -4.523 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.676 -6.060 -6.073 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.091 -6.931 -5.487 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.084 -8.097 -4.635 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.650 -7.448 -7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.365 -8.562 -7.112 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.830 -9.178 -5.648 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.105 -9.161 -7.379 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.147 -10.916 -5.944 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -4.047 -10.156 -8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.660 -11.694 -9.633 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -1.676 -12.868 -6.973 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.331 -13.214 -8.577 1.00 0.00 H new ATOM 538 N TRP A 41 -5.363 -6.978 -4.524 1.00 0.00 N ATOM 539 CA TRP A 41 -6.420 -7.442 -3.623 1.00 0.00 C ATOM 540 C TRP A 41 -6.442 -8.979 -3.550 1.00 0.00 C ATOM 541 O TRP A 41 -6.048 -9.661 -4.500 1.00 0.00 O ATOM 542 CB TRP A 41 -7.776 -6.847 -4.050 1.00 0.00 C ATOM 543 CG TRP A 41 -8.925 -7.109 -3.096 1.00 0.00 C ATOM 544 CD1 TRP A 41 -8.884 -7.163 -1.725 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.289 -7.338 -3.458 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.138 -7.420 -1.225 1.00 0.00 N ATOM 547 CE2 TRP A 41 -11.018 -7.528 -2.269 1.00 0.00 C ATOM 548 CE3 TRP A 41 -10.959 -7.398 -4.677 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.389 -7.776 -2.271 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.320 -7.642 -4.681 1.00 0.00 C ATOM 551 CH2 TRP A 41 -13.023 -7.829 -3.483 1.00 0.00 C ATOM 0 H TRP A 41 -5.672 -6.821 -5.483 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.214 -7.088 -2.613 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.661 -5.769 -4.168 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.039 -7.248 -5.029 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -7.996 -7.024 -1.127 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.375 -7.515 -0.237 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.424 -7.256 -5.605 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -12.932 -7.921 -1.349 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -12.849 -7.689 -5.621 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.086 -8.019 -3.517 1.00 0.00 H new ATOM 562 N THR A 42 -6.912 -9.499 -2.405 1.00 0.00 N ATOM 563 CA THR A 42 -6.961 -10.952 -2.131 1.00 0.00 C ATOM 564 C THR A 42 -7.967 -11.730 -2.997 1.00 0.00 C ATOM 565 O THR A 42 -7.993 -12.965 -2.948 1.00 0.00 O ATOM 566 CB THR A 42 -7.284 -11.224 -0.645 1.00 0.00 C ATOM 567 OG1 THR A 42 -8.350 -10.373 -0.205 1.00 0.00 O ATOM 568 CG2 THR A 42 -6.057 -11.001 0.228 1.00 0.00 C ATOM 0 H THR A 42 -7.270 -8.927 -1.640 1.00 0.00 H new ATOM 0 HA THR A 42 -5.965 -11.313 -2.388 1.00 0.00 H new ATOM 0 HB THR A 42 -7.592 -12.265 -0.552 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.547 -10.556 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.311 -11.199 1.269 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.260 -11.675 -0.086 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.721 -9.969 0.126 1.00 0.00 H new ATOM 576 N ASP A 43 -8.779 -11.019 -3.785 1.00 0.00 N ATOM 577 CA ASP A 43 -9.775 -11.664 -4.651 1.00 0.00 C ATOM 578 C ASP A 43 -9.206 -11.964 -6.044 1.00 0.00 C ATOM 579 O ASP A 43 -9.839 -12.670 -6.838 1.00 0.00 O ATOM 580 CB ASP A 43 -11.020 -10.787 -4.775 1.00 0.00 C ATOM 581 CG ASP A 43 -12.174 -11.302 -3.938 1.00 0.00 C ATOM 582 OD1 ASP A 43 -12.830 -12.275 -4.365 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -12.424 -10.731 -2.855 1.00 0.00 O ATOM 0 H ASP A 43 -8.768 -10.001 -3.842 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.046 -12.612 -4.187 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -10.777 -9.770 -4.468 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.325 -10.740 -5.820 1.00 0.00 H new ATOM 588 N GLY A 44 -8.009 -11.432 -6.325 1.00 0.00 N ATOM 589 CA GLY A 44 -7.365 -11.647 -7.614 1.00 0.00 C ATOM 590 C GLY A 44 -7.279 -10.383 -8.456 1.00 0.00 C ATOM 591 O GLY A 44 -6.519 -10.337 -9.427 1.00 0.00 O ATOM 0 H GLY A 44 -7.475 -10.854 -5.677 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.360 -12.037 -7.451 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.916 -12.408 -8.167 1.00 0.00 H new ATOM 595 N LEU A 45 -8.059 -9.360 -8.080 1.00 0.00 N ATOM 596 CA LEU A 45 -8.081 -8.087 -8.797 1.00 0.00 C ATOM 597 C LEU A 45 -7.122 -7.075 -8.171 1.00 0.00 C ATOM 598 O LEU A 45 -6.824 -7.143 -6.975 1.00 0.00 O ATOM 599 CB LEU A 45 -9.501 -7.521 -8.811 1.00 0.00 C ATOM 600 CG LEU A 45 -10.469 -8.237 -9.751 1.00 0.00 C ATOM 601 CD1 LEU A 45 -11.776 -8.544 -9.039 1.00 0.00 C ATOM 602 CD2 LEU A 45 -10.720 -7.397 -10.992 1.00 0.00 C ATOM 0 H LEU A 45 -8.686 -9.395 -7.276 1.00 0.00 H new ATOM 0 HA LEU A 45 -7.752 -8.272 -9.820 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -9.903 -7.562 -7.799 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.455 -6.469 -9.093 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.018 -9.181 -10.059 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.453 -9.054 -9.725 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.580 -9.184 -8.179 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.234 -7.614 -8.702 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.412 -7.921 -11.652 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.151 -6.439 -10.702 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -9.778 -7.228 -11.514 1.00 0.00 H new ATOM 614 N LEU A 46 -6.647 -6.141 -9.002 1.00 0.00 N ATOM 615 CA LEU A 46 -5.721 -5.089 -8.579 1.00 0.00 C ATOM 616 C LEU A 46 -6.480 -3.870 -8.028 1.00 0.00 C ATOM 617 O LEU A 46 -7.677 -3.710 -8.281 1.00 0.00 O ATOM 618 CB LEU A 46 -4.851 -4.679 -9.785 1.00 0.00 C ATOM 619 CG LEU A 46 -3.672 -3.739 -9.520 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.592 -4.412 -8.679 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.107 -3.285 -10.848 1.00 0.00 C ATOM 0 H LEU A 46 -6.896 -6.095 -9.990 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.089 -5.471 -7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.460 -5.588 -10.242 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.500 -4.205 -10.522 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.027 -2.879 -8.951 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.772 -3.713 -8.512 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.013 -4.713 -7.720 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.218 -5.292 -9.203 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.266 -2.614 -10.675 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -2.769 -4.152 -11.415 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.879 -2.761 -11.412 1.00 0.00 H new ATOM 633 N TYR A 47 -5.753 -3.012 -7.297 1.00 0.00 N ATOM 634 CA TYR A 47 -6.316 -1.801 -6.695 1.00 0.00 C ATOM 635 C TYR A 47 -5.318 -0.652 -6.847 1.00 0.00 C ATOM 636 O TYR A 47 -4.138 -0.811 -6.525 1.00 0.00 O ATOM 637 CB TYR A 47 -6.613 -2.012 -5.191 1.00 0.00 C ATOM 638 CG TYR A 47 -7.910 -2.740 -4.805 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.909 -3.078 -5.723 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.135 -3.060 -3.469 1.00 0.00 C ATOM 641 CE1 TYR A 47 -10.074 -3.703 -5.319 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.295 -3.691 -3.062 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.261 -4.008 -3.990 1.00 0.00 C ATOM 644 OH TYR A 47 -11.425 -4.617 -3.585 1.00 0.00 O ATOM 0 H TYR A 47 -4.759 -3.141 -7.108 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.250 -1.567 -7.205 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.779 -2.566 -4.761 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.625 -1.033 -4.713 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.768 -2.846 -6.768 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.385 -2.809 -2.733 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.835 -3.951 -6.044 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.443 -3.934 -2.020 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.394 -5.569 -3.818 1.00 0.00 H new ATOM 654 N LEU A 48 -5.791 0.497 -7.341 1.00 0.00 N ATOM 655 CA LEU A 48 -4.934 1.671 -7.525 1.00 0.00 C ATOM 656 C LEU A 48 -5.049 2.599 -6.320 1.00 0.00 C ATOM 657 O LEU A 48 -6.142 2.793 -5.779 1.00 0.00 O ATOM 658 CB LEU A 48 -5.291 2.411 -8.833 1.00 0.00 C ATOM 659 CG LEU A 48 -4.486 3.692 -9.143 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.095 3.362 -9.670 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.236 4.558 -10.143 1.00 0.00 C ATOM 0 H LEU A 48 -6.762 0.638 -7.620 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.899 1.339 -7.605 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.161 1.717 -9.664 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.349 2.673 -8.799 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.368 4.245 -8.211 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.556 4.286 -9.878 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.550 2.784 -8.923 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.182 2.779 -10.587 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.657 5.457 -10.352 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.386 4.000 -11.067 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.204 4.838 -9.728 1.00 0.00 H new ATOM 673 N GLY A 49 -3.911 3.165 -5.914 1.00 0.00 N ATOM 674 CA GLY A 49 -3.891 4.059 -4.765 1.00 0.00 C ATOM 675 C GLY A 49 -2.710 5.008 -4.745 1.00 0.00 C ATOM 676 O GLY A 49 -1.878 4.997 -5.650 1.00 0.00 O ATOM 0 H GLY A 49 -3.005 3.020 -6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.812 4.641 -4.754 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.880 3.462 -3.853 1.00 0.00 H new ATOM 680 N THR A 50 -2.672 5.850 -3.708 1.00 0.00 N ATOM 681 CA THR A 50 -1.590 6.813 -3.498 1.00 0.00 C ATOM 682 C THR A 50 -1.124 6.719 -2.054 1.00 0.00 C ATOM 683 O THR A 50 -1.935 6.770 -1.128 1.00 0.00 O ATOM 684 CB THR A 50 -1.999 8.269 -3.822 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.284 8.308 -4.456 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.960 8.919 -4.728 1.00 0.00 C ATOM 0 H THR A 50 -3.394 5.882 -2.988 1.00 0.00 H new ATOM 0 HA THR A 50 -0.785 6.557 -4.187 1.00 0.00 H new ATOM 0 HB THR A 50 -2.055 8.822 -2.884 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.525 9.238 -4.651 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.260 9.944 -4.949 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.008 8.924 -4.227 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.884 8.355 -5.658 1.00 0.00 H new ATOM 694 N ILE A 51 0.192 6.597 -1.875 1.00 0.00 N ATOM 695 CA ILE A 51 0.808 6.433 -0.549 1.00 0.00 C ATOM 696 C ILE A 51 0.564 7.617 0.390 1.00 0.00 C ATOM 697 O ILE A 51 0.943 8.754 0.105 1.00 0.00 O ATOM 698 CB ILE A 51 2.337 6.139 -0.683 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.562 4.882 -1.556 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.027 5.972 0.682 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.079 3.580 -0.928 1.00 0.00 C ATOM 0 H ILE A 51 0.864 6.609 -2.642 1.00 0.00 H new ATOM 0 HA ILE A 51 0.316 5.576 -0.090 1.00 0.00 H new ATOM 0 HB ILE A 51 2.791 7.005 -1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.052 5.022 -2.509 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.626 4.792 -1.774 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.087 5.769 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.911 6.887 1.263 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.572 5.141 1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.277 2.752 -1.609 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.606 3.411 0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.008 3.644 -0.736 1.00 0.00 H new ATOM 713 N LYS A 52 -0.087 7.304 1.510 1.00 0.00 N ATOM 714 CA LYS A 52 -0.382 8.283 2.553 1.00 0.00 C ATOM 715 C LYS A 52 0.641 8.171 3.688 1.00 0.00 C ATOM 716 O LYS A 52 0.921 9.156 4.377 1.00 0.00 O ATOM 717 CB LYS A 52 -1.799 8.069 3.101 1.00 0.00 C ATOM 718 CG LYS A 52 -2.730 9.264 2.919 1.00 0.00 C ATOM 719 CD LYS A 52 -2.718 10.176 4.137 1.00 0.00 C ATOM 720 CE LYS A 52 -3.414 11.498 3.852 1.00 0.00 C ATOM 721 NZ LYS A 52 -2.509 12.467 3.171 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.424 6.364 1.719 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.321 9.281 2.119 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.239 7.202 2.608 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.733 7.833 4.163 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.428 9.830 2.038 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -3.745 8.911 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -3.211 9.677 4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -1.688 10.364 4.442 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.290 11.320 3.229 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.770 11.930 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.021 13.355 2.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -1.685 12.657 3.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.189 12.066 2.266 1.00 0.00 H new ATOM 735 N LYS A 53 1.193 6.954 3.871 1.00 0.00 N ATOM 736 CA LYS A 53 2.191 6.683 4.909 1.00 0.00 C ATOM 737 C LYS A 53 3.162 5.600 4.429 1.00 0.00 C ATOM 738 O LYS A 53 2.849 4.845 3.504 1.00 0.00 O ATOM 739 CB LYS A 53 1.508 6.243 6.211 1.00 0.00 C ATOM 740 CG LYS A 53 2.183 6.778 7.476 1.00 0.00 C ATOM 741 CD LYS A 53 2.305 5.707 8.555 1.00 0.00 C ATOM 742 CE LYS A 53 3.548 4.848 8.356 1.00 0.00 C ATOM 743 NZ LYS A 53 4.741 5.431 9.031 1.00 0.00 N1+ ATOM 0 H LYS A 53 0.957 6.140 3.303 1.00 0.00 H new ATOM 0 HA LYS A 53 2.748 7.599 5.105 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.470 6.576 6.196 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.493 5.154 6.252 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.175 7.155 7.226 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.610 7.620 7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.343 6.181 9.536 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.418 5.073 8.541 1.00 0.00 H new ATOM 0 HE2 LYS A 53 3.364 3.847 8.746 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.750 4.743 7.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.582 5.284 8.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.594 6.450 9.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.881 4.966 9.951 1.00 0.00 H new ATOM 757 N VAL A 54 4.333 5.522 5.071 1.00 0.00 N ATOM 758 CA VAL A 54 5.361 4.542 4.699 1.00 0.00 C ATOM 759 C VAL A 54 5.985 3.897 5.943 1.00 0.00 C ATOM 760 O VAL A 54 6.307 4.579 6.920 1.00 0.00 O ATOM 761 CB VAL A 54 6.475 5.181 3.802 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.689 4.264 3.645 1.00 0.00 C ATOM 763 CG2 VAL A 54 5.926 5.525 2.424 1.00 0.00 C ATOM 0 H VAL A 54 4.593 6.126 5.851 1.00 0.00 H new ATOM 0 HA VAL A 54 4.866 3.766 4.116 1.00 0.00 H new ATOM 0 HB VAL A 54 6.798 6.091 4.308 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.434 4.751 3.015 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.120 4.060 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.380 3.327 3.183 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.716 5.968 1.818 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.562 4.618 1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.106 6.236 2.526 1.00 0.00 H new ATOM 773 N ASP A 55 6.147 2.575 5.869 1.00 0.00 N ATOM 774 CA ASP A 55 6.744 1.781 6.939 1.00 0.00 C ATOM 775 C ASP A 55 7.953 1.005 6.393 1.00 0.00 C ATOM 776 O ASP A 55 7.863 -0.191 6.085 1.00 0.00 O ATOM 777 CB ASP A 55 5.698 0.828 7.543 1.00 0.00 C ATOM 778 CG ASP A 55 4.943 1.456 8.698 1.00 0.00 C ATOM 779 OD1 ASP A 55 5.570 1.716 9.746 1.00 0.00 O ATOM 780 OD2 ASP A 55 3.724 1.686 8.556 1.00 0.00 O1- ATOM 0 H ASP A 55 5.865 2.023 5.059 1.00 0.00 H new ATOM 0 HA ASP A 55 7.089 2.444 7.733 1.00 0.00 H new ATOM 0 HB2 ASP A 55 4.991 0.531 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.193 -0.080 7.887 1.00 0.00 H new ATOM 785 N SER A 56 9.087 1.712 6.260 1.00 0.00 N ATOM 786 CA SER A 56 10.337 1.132 5.736 1.00 0.00 C ATOM 787 C SER A 56 11.016 0.180 6.734 1.00 0.00 C ATOM 788 O SER A 56 11.961 -0.529 6.373 1.00 0.00 O ATOM 789 CB SER A 56 11.308 2.252 5.352 1.00 0.00 C ATOM 790 OG SER A 56 12.197 1.830 4.333 1.00 0.00 O ATOM 0 H SER A 56 9.165 2.698 6.511 1.00 0.00 H new ATOM 0 HA SER A 56 10.072 0.543 4.858 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.747 3.123 5.012 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.876 2.561 6.229 1.00 0.00 H new ATOM 0 HG SER A 56 12.805 2.564 4.105 1.00 0.00 H new ATOM 796 N ALA A 57 10.525 0.168 7.980 1.00 0.00 N ATOM 797 CA ALA A 57 11.075 -0.697 9.030 1.00 0.00 C ATOM 798 C ALA A 57 10.405 -2.073 9.034 1.00 0.00 C ATOM 799 O ALA A 57 11.049 -3.082 9.340 1.00 0.00 O ATOM 800 CB ALA A 57 10.920 -0.032 10.390 1.00 0.00 C ATOM 0 H ALA A 57 9.745 0.750 8.286 1.00 0.00 H new ATOM 0 HA ALA A 57 12.134 -0.845 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.331 -0.682 11.162 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.454 0.918 10.393 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.863 0.145 10.590 1.00 0.00 H new ATOM 806 N ARG A 58 9.113 -2.098 8.693 1.00 0.00 N ATOM 807 CA ARG A 58 8.333 -3.339 8.651 1.00 0.00 C ATOM 808 C ARG A 58 8.016 -3.762 7.207 1.00 0.00 C ATOM 809 O ARG A 58 7.289 -4.736 6.983 1.00 0.00 O ATOM 810 CB ARG A 58 7.030 -3.164 9.451 1.00 0.00 C ATOM 811 CG ARG A 58 7.236 -3.057 10.963 1.00 0.00 C ATOM 812 CD ARG A 58 7.225 -4.421 11.649 1.00 0.00 C ATOM 813 NE ARG A 58 6.062 -4.580 12.528 1.00 0.00 N ATOM 814 CZ ARG A 58 5.674 -5.740 13.079 1.00 0.00 C ATOM 815 NH1 ARG A 58 6.343 -6.869 12.851 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 4.608 -5.765 13.866 1.00 0.00 N ATOM 0 H ARG A 58 8.581 -1.265 8.440 1.00 0.00 H new ATOM 0 HA ARG A 58 8.934 -4.129 9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.518 -2.268 9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.372 -4.008 9.243 1.00 0.00 H new ATOM 0 HG2 ARG A 58 8.185 -2.560 11.164 1.00 0.00 H new ATOM 0 HG3 ARG A 58 6.452 -2.432 11.391 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.220 -5.207 10.894 1.00 0.00 H new ATOM 0 HD3 ARG A 58 8.139 -4.543 12.230 1.00 0.00 H new ATOM 0 HE ARG A 58 5.508 -3.749 12.735 1.00 0.00 H new ATOM 0 HH11 ARG A 58 7.166 -6.861 12.248 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.032 -7.741 13.279 1.00 0.00 H new ATOM 0 HH21 ARG A 58 4.089 -4.906 14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.307 -6.643 14.289 1.00 0.00 H new ATOM 830 N GLU A 59 8.583 -3.026 6.220 1.00 0.00 N ATOM 831 CA GLU A 59 8.373 -3.291 4.772 1.00 0.00 C ATOM 832 C GLU A 59 6.888 -3.168 4.385 1.00 0.00 C ATOM 833 O GLU A 59 6.357 -3.964 3.600 1.00 0.00 O ATOM 834 CB GLU A 59 8.941 -4.668 4.370 1.00 0.00 C ATOM 835 CG GLU A 59 10.453 -4.678 4.199 1.00 0.00 C ATOM 836 CD GLU A 59 10.880 -4.356 2.780 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.906 -5.282 1.943 1.00 0.00 O1- ATOM 838 OE2 GLU A 59 11.191 -3.178 2.506 1.00 0.00 O ATOM 0 H GLU A 59 9.198 -2.233 6.403 1.00 0.00 H new ATOM 0 HA GLU A 59 8.920 -2.529 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.665 -5.401 5.128 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.476 -4.985 3.436 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.897 -3.954 4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.840 -5.658 4.478 1.00 0.00 H new ATOM 845 N VAL A 60 6.236 -2.143 4.946 1.00 0.00 N ATOM 846 CA VAL A 60 4.816 -1.875 4.696 1.00 0.00 C ATOM 847 C VAL A 60 4.607 -0.386 4.370 1.00 0.00 C ATOM 848 O VAL A 60 5.518 0.422 4.544 1.00 0.00 O ATOM 849 CB VAL A 60 3.917 -2.267 5.915 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.497 -2.579 5.473 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.483 -3.449 6.701 1.00 0.00 C ATOM 0 H VAL A 60 6.676 -1.479 5.583 1.00 0.00 H new ATOM 0 HA VAL A 60 4.519 -2.490 3.847 1.00 0.00 H new ATOM 0 HB VAL A 60 3.904 -1.400 6.576 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.896 -2.848 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.065 -1.702 4.991 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.510 -3.411 4.769 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.822 -3.681 7.536 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.560 -4.318 6.047 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.472 -3.193 7.081 1.00 0.00 H new ATOM 861 N CYS A 61 3.410 -0.045 3.858 1.00 0.00 N ATOM 862 CA CYS A 61 3.051 1.341 3.517 1.00 0.00 C ATOM 863 C CYS A 61 1.544 1.508 3.467 1.00 0.00 C ATOM 864 O CYS A 61 0.826 0.610 3.016 1.00 0.00 O ATOM 865 CB CYS A 61 3.647 1.764 2.172 1.00 0.00 C ATOM 866 SG CYS A 61 5.378 2.263 2.284 1.00 0.00 S ATOM 0 H CYS A 61 2.669 -0.720 3.670 1.00 0.00 H new ATOM 0 HA CYS A 61 3.465 1.979 4.298 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.559 0.937 1.467 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.063 2.591 1.768 1.00 0.00 H new ATOM 0 HG CYS A 61 5.902 1.771 3.367 1.00 0.00 H new ATOM 872 N LEU A 62 1.075 2.668 3.933 1.00 0.00 N ATOM 873 CA LEU A 62 -0.348 2.987 3.923 1.00 0.00 C ATOM 874 C LEU A 62 -0.662 3.795 2.681 1.00 0.00 C ATOM 875 O LEU A 62 0.068 4.730 2.344 1.00 0.00 O ATOM 876 CB LEU A 62 -0.763 3.771 5.180 1.00 0.00 C ATOM 877 CG LEU A 62 -2.112 3.378 5.839 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.233 3.196 4.809 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.953 2.121 6.685 1.00 0.00 C ATOM 0 H LEU A 62 1.666 3.402 4.323 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.912 2.054 3.919 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.024 3.658 5.925 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.807 4.829 4.921 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.402 4.205 6.487 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.156 2.922 5.320 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.383 4.129 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.958 2.408 4.108 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.911 1.864 7.138 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.617 1.298 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.218 2.301 7.469 1.00 0.00 H new ATOM 891 N VAL A 63 -1.744 3.427 2.004 1.00 0.00 N ATOM 892 CA VAL A 63 -2.131 4.093 0.768 1.00 0.00 C ATOM 893 C VAL A 63 -3.634 4.374 0.721 1.00 0.00 C ATOM 894 O VAL A 63 -4.447 3.580 1.209 1.00 0.00 O ATOM 895 CB VAL A 63 -1.668 3.270 -0.497 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.022 1.946 -0.115 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.798 3.019 -1.481 1.00 0.00 C ATOM 0 H VAL A 63 -2.367 2.672 2.290 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.619 5.055 0.748 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.923 3.895 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.720 1.415 -1.018 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.146 2.134 0.506 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.737 1.339 0.441 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.421 2.449 -2.330 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.591 2.455 -0.989 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.194 3.972 -1.831 1.00 0.00 H new ATOM 907 N GLN A 64 -3.973 5.522 0.124 1.00 0.00 N ATOM 908 CA GLN A 64 -5.362 5.937 -0.064 1.00 0.00 C ATOM 909 C GLN A 64 -5.805 5.456 -1.446 1.00 0.00 C ATOM 910 O GLN A 64 -5.037 5.547 -2.407 1.00 0.00 O ATOM 911 CB GLN A 64 -5.504 7.463 0.053 1.00 0.00 C ATOM 912 CG GLN A 64 -6.920 7.938 0.386 1.00 0.00 C ATOM 913 CD GLN A 64 -6.966 8.811 1.626 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.405 9.907 1.651 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.639 8.329 2.664 1.00 0.00 N ATOM 0 H GLN A 64 -3.291 6.187 -0.241 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.992 5.500 0.711 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.822 7.822 0.824 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.192 7.919 -0.887 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.321 8.495 -0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.565 7.072 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.089 7.416 2.600 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.706 8.872 3.525 1.00 0.00 H new ATOM 924 N PHE A 65 -7.031 4.958 -1.546 1.00 0.00 N ATOM 925 CA PHE A 65 -7.520 4.404 -2.800 1.00 0.00 C ATOM 926 C PHE A 65 -8.543 5.290 -3.514 1.00 0.00 C ATOM 927 O PHE A 65 -9.031 6.276 -2.956 1.00 0.00 O ATOM 928 CB PHE A 65 -8.061 3.006 -2.513 1.00 0.00 C ATOM 929 CG PHE A 65 -6.965 2.043 -2.138 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.476 1.979 -0.839 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.405 1.231 -3.094 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.452 1.111 -0.515 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.383 0.363 -2.777 1.00 0.00 C ATOM 934 CZ PHE A 65 -4.907 0.302 -1.489 1.00 0.00 C ATOM 0 H PHE A 65 -7.701 4.927 -0.778 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.690 4.351 -3.504 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.790 3.058 -1.704 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.586 2.633 -3.392 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.901 2.614 -0.076 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.771 1.274 -4.109 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.080 1.066 0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.956 -0.270 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.107 -0.379 -1.240 1.00 0.00 H new ATOM 944 N GLU A 66 -8.852 4.905 -4.772 1.00 0.00 N ATOM 945 CA GLU A 66 -9.785 5.628 -5.654 1.00 0.00 C ATOM 946 C GLU A 66 -11.158 5.866 -5.016 1.00 0.00 C ATOM 947 O GLU A 66 -11.697 6.973 -5.103 1.00 0.00 O ATOM 948 CB GLU A 66 -9.949 4.849 -6.963 1.00 0.00 C ATOM 949 CG GLU A 66 -10.143 5.737 -8.186 1.00 0.00 C ATOM 950 CD GLU A 66 -8.829 6.183 -8.804 1.00 0.00 C ATOM 951 OE1 GLU A 66 -8.068 5.312 -9.279 1.00 0.00 O ATOM 952 OE2 GLU A 66 -8.567 7.405 -8.820 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.453 4.072 -5.206 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.354 6.612 -5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.069 4.223 -7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.804 4.180 -6.872 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.726 5.197 -8.933 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.723 6.616 -7.903 1.00 0.00 H new ATOM 959 N ASP A 67 -11.715 4.828 -4.380 1.00 0.00 N ATOM 960 CA ASP A 67 -13.026 4.935 -3.744 1.00 0.00 C ATOM 961 C ASP A 67 -12.897 5.377 -2.264 1.00 0.00 C ATOM 962 O ASP A 67 -13.669 4.949 -1.398 1.00 0.00 O ATOM 963 CB ASP A 67 -13.775 3.599 -3.910 1.00 0.00 C ATOM 964 CG ASP A 67 -15.248 3.673 -3.532 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.976 4.498 -4.126 1.00 0.00 O1- ATOM 966 OD2 ASP A 67 -15.672 2.908 -2.640 1.00 0.00 O ATOM 0 H ASP A 67 -11.278 3.910 -4.294 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.613 5.713 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.691 3.272 -4.946 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.289 2.841 -3.296 1.00 0.00 H new ATOM 971 N ASP A 68 -11.901 6.260 -1.999 1.00 0.00 N ATOM 972 CA ASP A 68 -11.627 6.829 -0.657 1.00 0.00 C ATOM 973 C ASP A 68 -11.494 5.755 0.437 1.00 0.00 C ATOM 974 O ASP A 68 -12.231 5.758 1.433 1.00 0.00 O ATOM 975 CB ASP A 68 -12.698 7.871 -0.278 1.00 0.00 C ATOM 976 CG ASP A 68 -12.440 9.223 -0.916 1.00 0.00 C ATOM 977 OD1 ASP A 68 -12.628 9.347 -2.144 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -12.049 10.158 -0.186 1.00 0.00 O ATOM 0 H ASP A 68 -11.261 6.599 -2.717 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.658 7.325 -0.720 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.679 7.508 -0.585 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.725 7.983 0.806 1.00 0.00 H new ATOM 983 N SER A 69 -10.547 4.836 0.236 1.00 0.00 N ATOM 984 CA SER A 69 -10.302 3.759 1.194 1.00 0.00 C ATOM 985 C SER A 69 -8.869 3.785 1.701 1.00 0.00 C ATOM 986 O SER A 69 -7.925 3.843 0.910 1.00 0.00 O ATOM 987 CB SER A 69 -10.594 2.393 0.561 1.00 0.00 C ATOM 988 OG SER A 69 -11.176 1.510 1.505 1.00 0.00 O ATOM 0 H SER A 69 -9.938 4.817 -0.582 1.00 0.00 H new ATOM 0 HA SER A 69 -10.974 3.916 2.038 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.266 2.518 -0.288 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.670 1.962 0.176 1.00 0.00 H new ATOM 0 HG SER A 69 -11.355 0.646 1.078 1.00 0.00 H new ATOM 994 N GLN A 70 -8.720 3.759 3.029 1.00 0.00 N ATOM 995 CA GLN A 70 -7.403 3.723 3.657 1.00 0.00 C ATOM 996 C GLN A 70 -7.089 2.270 3.994 1.00 0.00 C ATOM 997 O GLN A 70 -7.480 1.752 5.048 1.00 0.00 O ATOM 998 CB GLN A 70 -7.355 4.611 4.908 1.00 0.00 C ATOM 999 CG GLN A 70 -6.733 5.981 4.663 1.00 0.00 C ATOM 1000 CD GLN A 70 -5.215 5.956 4.664 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.582 5.967 5.720 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.623 5.920 3.476 1.00 0.00 N ATOM 0 H GLN A 70 -9.499 3.762 3.688 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.652 4.118 2.973 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.368 4.744 5.287 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.788 4.098 5.685 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.083 6.366 3.705 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.079 6.673 5.431 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.186 5.912 2.626 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.605 5.900 3.414 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.392 1.621 3.067 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.058 0.213 3.190 1.00 0.00 C ATOM 1013 C PHE A 71 -4.549 0.006 3.253 1.00 0.00 C ATOM 1014 O PHE A 71 -3.813 0.449 2.366 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.679 -0.535 1.994 1.00 0.00 C ATOM 1016 CG PHE A 71 -7.993 -1.258 2.249 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.789 -1.003 3.368 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.432 -2.203 1.337 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -9.979 -1.679 3.560 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.622 -2.880 1.527 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.395 -2.620 2.640 1.00 0.00 C ATOM 0 H PHE A 71 -6.045 2.058 2.213 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.464 -0.183 4.121 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.836 0.182 1.188 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.953 -1.265 1.635 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.470 -0.268 4.093 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.835 -2.415 0.463 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.584 -1.471 4.430 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.947 -3.613 0.804 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.323 -3.151 2.791 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.104 -0.671 4.322 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.682 -0.957 4.547 1.00 0.00 C ATOM 1033 C LEU A 72 -2.178 -2.064 3.613 1.00 0.00 C ATOM 1034 O LEU A 72 -2.752 -3.154 3.561 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.411 -1.296 6.044 1.00 0.00 C ATOM 1036 CG LEU A 72 -3.009 -2.600 6.652 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -4.389 -2.927 6.098 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -2.059 -3.773 6.454 1.00 0.00 C ATOM 0 H LEU A 72 -4.718 -1.034 5.051 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.118 -0.056 4.307 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.330 -1.337 6.180 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -2.776 -0.460 6.640 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.132 -2.421 7.720 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.757 -3.845 6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.074 -2.109 6.322 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -4.325 -3.061 5.018 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.497 -4.673 6.886 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.889 -3.928 5.388 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.110 -3.559 6.945 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.113 -1.759 2.871 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.527 -2.720 1.923 1.00 0.00 C ATOM 1052 C VAL A 73 0.968 -2.894 2.150 1.00 0.00 C ATOM 1053 O VAL A 73 1.654 -1.969 2.596 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.745 -2.316 0.434 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -0.902 -3.557 -0.442 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -1.942 -1.379 0.266 1.00 0.00 C ATOM 0 H VAL A 73 -0.636 -0.858 2.904 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.049 -3.658 2.114 1.00 0.00 H new ATOM 0 HB VAL A 73 0.141 -1.770 0.111 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.053 -3.254 -1.478 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.003 -4.169 -0.370 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.762 -4.135 -0.104 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.058 -1.122 -0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.845 -1.876 0.620 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.777 -0.470 0.845 1.00 0.00 H new ATOM 1066 N LEU A 74 1.456 -4.098 1.827 1.00 0.00 N ATOM 1067 CA LEU A 74 2.870 -4.430 1.964 1.00 0.00 C ATOM 1068 C LEU A 74 3.604 -4.218 0.653 1.00 0.00 C ATOM 1069 O LEU A 74 3.010 -4.302 -0.423 1.00 0.00 O ATOM 1070 CB LEU A 74 3.052 -5.879 2.421 1.00 0.00 C ATOM 1071 CG LEU A 74 3.663 -6.049 3.812 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.575 -6.026 4.865 1.00 0.00 C ATOM 1073 CD2 LEU A 74 4.464 -7.339 3.897 1.00 0.00 C ATOM 0 H LEU A 74 0.883 -4.861 1.466 1.00 0.00 H new ATOM 0 HA LEU A 74 3.290 -3.766 2.719 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.081 -6.373 2.405 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.684 -6.395 1.698 1.00 0.00 H new ATOM 0 HG LEU A 74 4.344 -5.218 3.995 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.021 -6.148 5.852 1.00 0.00 H new ATOM 0 HD12 LEU A 74 2.046 -5.074 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.873 -6.840 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.889 -7.438 4.896 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.810 -8.187 3.695 1.00 0.00 H new ATOM 0 HD23 LEU A 74 5.268 -7.317 3.161 1.00 0.00 H new ATOM 1085 N TRP A 75 4.914 -3.980 0.760 1.00 0.00 N ATOM 1086 CA TRP A 75 5.781 -3.741 -0.404 1.00 0.00 C ATOM 1087 C TRP A 75 5.820 -4.943 -1.364 1.00 0.00 C ATOM 1088 O TRP A 75 6.281 -4.808 -2.502 1.00 0.00 O ATOM 1089 CB TRP A 75 7.205 -3.372 0.053 1.00 0.00 C ATOM 1090 CG TRP A 75 7.310 -2.092 0.862 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.323 -1.479 1.595 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.485 -1.277 1.031 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.807 -0.345 2.186 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.127 -0.197 1.861 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.804 -1.351 0.560 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 9.033 0.793 2.230 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.701 -0.366 0.930 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.311 0.694 1.759 1.00 0.00 C ATOM 0 H TRP A 75 5.406 -3.947 1.653 1.00 0.00 H new ATOM 0 HA TRP A 75 5.353 -2.904 -0.956 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.603 -4.194 0.649 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.840 -3.280 -0.828 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.310 -1.841 1.691 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.269 0.290 2.776 1.00 0.00 H new ATOM 0 HE3 TRP A 75 10.114 -2.163 -0.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.735 1.612 2.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.719 -0.415 0.574 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.035 1.448 2.031 1.00 0.00 H new ATOM 1109 N LYS A 76 5.336 -6.114 -0.902 1.00 0.00 N ATOM 1110 CA LYS A 76 5.309 -7.322 -1.743 1.00 0.00 C ATOM 1111 C LYS A 76 4.047 -7.362 -2.628 1.00 0.00 C ATOM 1112 O LYS A 76 4.071 -7.921 -3.729 1.00 0.00 O ATOM 1113 CB LYS A 76 5.433 -8.602 -0.883 1.00 0.00 C ATOM 1114 CG LYS A 76 4.209 -8.945 -0.032 1.00 0.00 C ATOM 1115 CD LYS A 76 4.588 -9.772 1.187 1.00 0.00 C ATOM 1116 CE LYS A 76 3.365 -10.151 2.006 1.00 0.00 C ATOM 1117 NZ LYS A 76 3.725 -10.528 3.400 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.963 -6.246 0.038 1.00 0.00 H new ATOM 0 HA LYS A 76 6.173 -7.283 -2.407 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.642 -9.444 -1.543 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.294 -8.493 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 76 3.719 -8.026 0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.488 -9.496 -0.636 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.107 -10.675 0.868 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.283 -9.208 1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.667 -9.314 2.025 1.00 0.00 H new ATOM 0 HE3 LYS A 76 2.851 -10.984 1.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 3.047 -10.098 4.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.696 -11.563 3.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.683 -10.186 3.616 1.00 0.00 H new ATOM 1131 N ASP A 77 2.959 -6.762 -2.126 1.00 0.00 N ATOM 1132 CA ASP A 77 1.681 -6.707 -2.843 1.00 0.00 C ATOM 1133 C ASP A 77 1.495 -5.367 -3.567 1.00 0.00 C ATOM 1134 O ASP A 77 0.443 -5.120 -4.172 1.00 0.00 O ATOM 1135 CB ASP A 77 0.526 -6.929 -1.861 1.00 0.00 C ATOM 1136 CG ASP A 77 0.038 -8.365 -1.854 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.689 -9.210 -1.205 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 -0.996 -8.644 -2.498 1.00 0.00 O ATOM 0 H ASP A 77 2.941 -6.303 -1.215 1.00 0.00 H new ATOM 0 HA ASP A 77 1.685 -7.496 -3.595 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.849 -6.653 -0.857 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.301 -6.269 -2.122 1.00 0.00 H new ATOM 1143 N ILE A 78 2.525 -4.513 -3.516 1.00 0.00 N ATOM 1144 CA ILE A 78 2.470 -3.192 -4.143 1.00 0.00 C ATOM 1145 C ILE A 78 3.295 -3.147 -5.436 1.00 0.00 C ATOM 1146 O ILE A 78 4.398 -3.695 -5.507 1.00 0.00 O ATOM 1147 CB ILE A 78 2.938 -2.082 -3.154 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.949 -1.991 -1.978 1.00 0.00 C ATOM 1149 CG2 ILE A 78 3.060 -0.723 -3.853 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.495 -1.302 -0.747 1.00 0.00 C ATOM 0 H ILE A 78 3.407 -4.716 -3.045 1.00 0.00 H new ATOM 0 HA ILE A 78 1.429 -3.000 -4.405 1.00 0.00 H new ATOM 0 HB ILE A 78 3.926 -2.349 -2.780 1.00 0.00 H new ATOM 0 HG12 ILE A 78 1.058 -1.459 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.636 -2.999 -1.705 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.388 0.028 -3.134 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.788 -0.794 -4.662 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.091 -0.435 -4.261 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.730 -1.284 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.368 -1.844 -0.384 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.781 -0.281 -0.998 1.00 0.00 H new ATOM 1162 N SER A 79 2.723 -2.480 -6.447 1.00 0.00 N ATOM 1163 CA SER A 79 3.363 -2.301 -7.749 1.00 0.00 C ATOM 1164 C SER A 79 3.260 -0.824 -8.169 1.00 0.00 C ATOM 1165 O SER A 79 2.164 -0.359 -8.487 1.00 0.00 O ATOM 1166 CB SER A 79 2.702 -3.203 -8.804 1.00 0.00 C ATOM 1167 OG SER A 79 3.676 -3.904 -9.558 1.00 0.00 O ATOM 0 H SER A 79 1.801 -2.050 -6.381 1.00 0.00 H new ATOM 0 HA SER A 79 4.413 -2.583 -7.672 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.036 -3.913 -8.314 1.00 0.00 H new ATOM 0 HB3 SER A 79 2.087 -2.598 -9.471 1.00 0.00 H new ATOM 0 HG SER A 79 3.230 -4.472 -10.221 1.00 0.00 H new ATOM 1173 N PRO A 80 4.385 -0.036 -8.164 1.00 0.00 N ATOM 1174 CA PRO A 80 4.351 1.395 -8.552 1.00 0.00 C ATOM 1175 C PRO A 80 3.693 1.636 -9.917 1.00 0.00 C ATOM 1176 O PRO A 80 4.124 1.086 -10.937 1.00 0.00 O ATOM 1177 CB PRO A 80 5.831 1.792 -8.577 1.00 0.00 C ATOM 1178 CG PRO A 80 6.475 0.865 -7.610 1.00 0.00 C ATOM 1179 CD PRO A 80 5.755 -0.446 -7.763 1.00 0.00 C ATOM 0 HA PRO A 80 3.750 1.984 -7.860 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.255 1.684 -9.575 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.969 2.833 -8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.539 0.755 -7.822 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.390 1.242 -6.591 1.00 0.00 H new ATOM 0 HD2 PRO A 80 6.224 -1.077 -8.518 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.749 -1.013 -6.832 1.00 0.00 H new ATOM 1187 N ALA A 81 2.635 2.460 -9.907 1.00 0.00 N ATOM 1188 CA ALA A 81 1.874 2.793 -11.115 1.00 0.00 C ATOM 1189 C ALA A 81 2.553 3.900 -11.929 1.00 0.00 C ATOM 1190 O ALA A 81 2.723 3.766 -13.145 1.00 0.00 O ATOM 1191 CB ALA A 81 0.456 3.207 -10.737 1.00 0.00 C ATOM 0 H ALA A 81 2.285 2.912 -9.062 1.00 0.00 H new ATOM 0 HA ALA A 81 1.837 1.903 -11.743 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.104 3.453 -11.639 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.037 2.385 -10.217 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.493 4.079 -10.084 1.00 0.00 H new