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= 0.104 K(o=0.1,f=-3.5!) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 47 TYR OH : rot 76:sc= 2.12 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 -43:sc= 0.0136 USER MOD Single : A 61 CYS SG : rot 105:sc= -11.4! USER MOD Single : A 64 GLN : amide:sc= -4.58! C(o=-4.6!,f=-4.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -4.93! C(o=-4.9!,f=-3.4!) 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 8.895 3.150 -2.335 1.00 0.00 N ATOM 376 CA LEU A 31 7.690 3.482 -1.562 1.00 0.00 C ATOM 377 C LEU A 31 7.853 4.842 -0.876 1.00 0.00 C ATOM 378 O LEU A 31 8.700 5.009 0.010 1.00 0.00 O ATOM 379 CB LEU A 31 7.424 2.379 -0.513 1.00 0.00 C ATOM 380 CG LEU A 31 6.442 1.241 -0.901 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.168 1.777 -1.532 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.094 0.217 -1.821 1.00 0.00 C ATOM 0 HA LEU A 31 6.839 3.541 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.380 1.924 -0.254 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.044 2.858 0.389 1.00 0.00 H new ATOM 0 HG LEU A 31 6.173 0.741 0.029 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.511 0.946 -1.787 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.662 2.436 -0.827 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.416 2.334 -2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.372 -0.562 -2.068 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.425 0.708 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.952 -0.230 -1.318 1.00 0.00 H new ATOM 394 N TRP A 32 7.038 5.816 -1.309 1.00 0.00 N ATOM 395 CA TRP A 32 7.087 7.185 -0.776 1.00 0.00 C ATOM 396 C TRP A 32 5.693 7.825 -0.781 1.00 0.00 C ATOM 397 O TRP A 32 4.807 7.372 -1.507 1.00 0.00 O ATOM 398 CB TRP A 32 8.092 8.040 -1.592 1.00 0.00 C ATOM 399 CG TRP A 32 7.684 8.308 -3.020 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.560 7.389 -4.024 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.352 9.581 -3.599 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.159 8.007 -5.181 1.00 0.00 N ATOM 403 CE2 TRP A 32 7.030 9.352 -4.949 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.293 10.892 -3.108 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.655 10.378 -5.812 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.922 11.910 -3.966 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.606 11.648 -5.305 1.00 0.00 C ATOM 0 H TRP A 32 6.332 5.678 -2.032 1.00 0.00 H new ATOM 0 HA TRP A 32 7.428 7.142 0.258 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.231 8.994 -1.084 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.058 7.536 -1.594 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.750 6.331 -3.921 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.985 7.541 -6.071 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.533 11.103 -2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.411 10.179 -6.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.875 12.924 -3.598 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.318 12.465 -5.950 1.00 0.00 H new ATOM 418 N GLU A 33 5.519 8.897 0.010 1.00 0.00 N ATOM 419 CA GLU A 33 4.234 9.609 0.109 1.00 0.00 C ATOM 420 C GLU A 33 3.845 10.265 -1.223 1.00 0.00 C ATOM 421 O GLU A 33 4.542 11.161 -1.716 1.00 0.00 O ATOM 422 CB GLU A 33 4.297 10.664 1.219 1.00 0.00 C ATOM 423 CG GLU A 33 4.100 10.095 2.614 1.00 0.00 C ATOM 424 CD GLU A 33 4.247 11.144 3.699 1.00 0.00 C ATOM 425 OE1 GLU A 33 3.291 11.921 3.907 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 5.317 11.189 4.341 1.00 0.00 O ATOM 0 H GLU A 33 6.257 9.291 0.593 1.00 0.00 H new ATOM 0 HA GLU A 33 3.467 8.875 0.354 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.262 11.168 1.175 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.534 11.420 1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.110 9.644 2.682 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.825 9.299 2.783 1.00 0.00 H new ATOM 433 N GLY A 34 2.730 9.796 -1.796 1.00 0.00 N ATOM 434 CA GLY A 34 2.241 10.312 -3.066 1.00 0.00 C ATOM 435 C GLY A 34 2.656 9.443 -4.239 1.00 0.00 C ATOM 436 O GLY A 34 2.816 9.940 -5.358 1.00 0.00 O ATOM 0 H GLY A 34 2.153 9.058 -1.393 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.154 10.380 -3.034 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.619 11.324 -3.214 1.00 0.00 H new ATOM 440 N GLN A 35 2.830 8.143 -3.975 1.00 0.00 N ATOM 441 CA GLN A 35 3.226 7.184 -4.997 1.00 0.00 C ATOM 442 C GLN A 35 2.008 6.367 -5.429 1.00 0.00 C ATOM 443 O GLN A 35 1.418 5.648 -4.616 1.00 0.00 O ATOM 444 CB GLN A 35 4.367 6.283 -4.446 1.00 0.00 C ATOM 445 CG GLN A 35 4.524 4.909 -5.120 1.00 0.00 C ATOM 446 CD GLN A 35 5.905 4.667 -5.705 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.530 5.564 -6.276 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.381 3.433 -5.576 1.00 0.00 N ATOM 0 H GLN A 35 2.700 7.734 -3.050 1.00 0.00 H new ATOM 0 HA GLN A 35 3.607 7.702 -5.877 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.309 6.823 -4.543 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.197 6.126 -3.381 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.307 4.130 -4.389 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.782 4.817 -5.913 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.830 2.721 -5.096 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.297 3.197 -5.957 1.00 0.00 H new ATOM 457 N ASP A 36 1.629 6.491 -6.713 1.00 0.00 N ATOM 458 CA ASP A 36 0.490 5.738 -7.255 1.00 0.00 C ATOM 459 C ASP A 36 0.865 4.262 -7.321 1.00 0.00 C ATOM 460 O ASP A 36 1.707 3.852 -8.128 1.00 0.00 O ATOM 461 CB ASP A 36 0.066 6.261 -8.634 1.00 0.00 C ATOM 462 CG ASP A 36 -0.504 7.667 -8.577 1.00 0.00 C ATOM 463 OD1 ASP A 36 -1.687 7.813 -8.200 1.00 0.00 O ATOM 464 OD2 ASP A 36 0.231 8.620 -8.909 1.00 0.00 O1- ATOM 0 H ASP A 36 2.091 7.100 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.368 5.870 -6.595 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.926 6.249 -9.303 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.678 5.588 -9.060 1.00 0.00 H new ATOM 469 N VAL A 37 0.237 3.484 -6.449 1.00 0.00 N ATOM 470 CA VAL A 37 0.523 2.061 -6.329 1.00 0.00 C ATOM 471 C VAL A 37 -0.654 1.178 -6.723 1.00 0.00 C ATOM 472 O VAL A 37 -1.789 1.643 -6.864 1.00 0.00 O ATOM 473 CB VAL A 37 0.926 1.701 -4.870 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.280 2.303 -4.524 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.147 2.132 -3.852 1.00 0.00 C ATOM 0 H VAL A 37 -0.482 3.820 -5.808 1.00 0.00 H new ATOM 0 HA VAL A 37 1.344 1.869 -7.019 1.00 0.00 H new ATOM 0 HB VAL A 37 1.005 0.615 -4.811 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.544 2.040 -3.500 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.036 1.913 -5.205 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.231 3.388 -4.619 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.176 1.861 -2.847 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.290 3.211 -3.909 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.087 1.629 -4.079 1.00 0.00 H new ATOM 485 N LEU A 38 -0.339 -0.103 -6.894 1.00 0.00 N ATOM 486 CA LEU A 38 -1.319 -1.115 -7.219 1.00 0.00 C ATOM 487 C LEU A 38 -1.324 -2.148 -6.108 1.00 0.00 C ATOM 488 O LEU A 38 -0.449 -3.020 -6.028 1.00 0.00 O ATOM 489 CB LEU A 38 -1.002 -1.742 -8.578 1.00 0.00 C ATOM 490 CG LEU A 38 -1.168 -0.806 -9.784 1.00 0.00 C ATOM 491 CD1 LEU A 38 -0.421 -1.350 -10.991 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.639 -0.613 -10.110 1.00 0.00 C ATOM 0 H LEU A 38 0.612 -0.462 -6.809 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.313 -0.674 -7.297 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.025 -2.108 -8.561 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.647 -2.609 -8.720 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.742 0.164 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.551 -0.673 -11.835 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.640 -1.436 -10.754 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.815 -2.333 -11.250 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.737 0.053 -10.967 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.089 -1.577 -10.346 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.148 -0.176 -9.251 1.00 0.00 H new ATOM 504 N ALA A 39 -2.324 -2.017 -5.242 1.00 0.00 N ATOM 505 CA ALA A 39 -2.495 -2.896 -4.100 1.00 0.00 C ATOM 506 C ALA A 39 -3.345 -4.101 -4.493 1.00 0.00 C ATOM 507 O ALA A 39 -4.551 -3.979 -4.733 1.00 0.00 O ATOM 508 CB ALA A 39 -3.128 -2.115 -2.955 1.00 0.00 C ATOM 0 H ALA A 39 -3.039 -1.294 -5.317 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.526 -3.269 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.258 -2.772 -2.095 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.480 -1.282 -2.681 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.099 -1.732 -3.269 1.00 0.00 H new ATOM 514 N ARG A 40 -2.693 -5.262 -4.580 1.00 0.00 N ATOM 515 CA ARG A 40 -3.353 -6.512 -4.962 1.00 0.00 C ATOM 516 C ARG A 40 -4.301 -7.001 -3.865 1.00 0.00 C ATOM 517 O ARG A 40 -3.898 -7.152 -2.707 1.00 0.00 O ATOM 518 CB ARG A 40 -2.300 -7.578 -5.255 1.00 0.00 C ATOM 519 CG ARG A 40 -2.610 -8.437 -6.475 1.00 0.00 C ATOM 520 CD ARG A 40 -1.413 -9.283 -6.889 1.00 0.00 C ATOM 521 NE ARG A 40 -1.243 -10.463 -6.032 1.00 0.00 N ATOM 522 CZ ARG A 40 -0.106 -10.793 -5.399 1.00 0.00 C ATOM 523 NH1 ARG A 40 0.987 -10.040 -5.508 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -0.067 -11.887 -4.651 1.00 0.00 N ATOM 0 H ARG A 40 -1.696 -5.362 -4.388 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.946 -6.325 -5.857 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.336 -7.091 -5.402 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.201 -8.225 -4.384 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.457 -9.088 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.907 -7.796 -7.305 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.537 -9.603 -7.924 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.509 -8.675 -6.850 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.048 -11.077 -5.908 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.970 -9.196 -6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 40 1.841 -10.307 -5.019 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.898 -12.472 -4.559 1.00 0.00 H new ATOM 0 HH22 ARG A 40 0.794 -12.144 -4.167 1.00 0.00 H new ATOM 538 N TRP A 41 -5.560 -7.238 -4.246 1.00 0.00 N ATOM 539 CA TRP A 41 -6.583 -7.710 -3.308 1.00 0.00 C ATOM 540 C TRP A 41 -6.607 -9.245 -3.244 1.00 0.00 C ATOM 541 O TRP A 41 -6.211 -9.924 -4.195 1.00 0.00 O ATOM 542 CB TRP A 41 -7.953 -7.114 -3.682 1.00 0.00 C ATOM 543 CG TRP A 41 -9.047 -7.318 -2.651 1.00 0.00 C ATOM 544 CD1 TRP A 41 -8.930 -7.317 -1.284 1.00 0.00 C ATOM 545 CD2 TRP A 41 -10.434 -7.541 -2.925 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.156 -7.533 -0.703 1.00 0.00 N ATOM 547 CE2 TRP A 41 -11.095 -7.672 -1.691 1.00 0.00 C ATOM 548 CE3 TRP A 41 -11.174 -7.643 -4.099 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -12.467 -7.900 -1.603 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -12.535 -7.868 -4.016 1.00 0.00 C ATOM 551 CH2 TRP A 41 -13.171 -7.994 -2.774 1.00 0.00 C ATOM 0 H TRP A 41 -5.896 -7.110 -5.201 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.336 -7.364 -2.304 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.832 -6.044 -3.854 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.278 -7.553 -4.625 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -8.007 -7.168 -0.743 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -10.337 -7.582 0.300 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -10.692 -7.548 -5.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -12.957 -7.999 -0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -13.117 -7.948 -4.922 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -14.236 -8.169 -2.739 1.00 0.00 H new ATOM 562 N THR A 42 -7.081 -9.772 -2.102 1.00 0.00 N ATOM 563 CA THR A 42 -7.131 -11.225 -1.838 1.00 0.00 C ATOM 564 C THR A 42 -8.165 -11.988 -2.683 1.00 0.00 C ATOM 565 O THR A 42 -8.199 -13.222 -2.648 1.00 0.00 O ATOM 566 CB THR A 42 -7.418 -11.507 -0.348 1.00 0.00 C ATOM 567 OG1 THR A 42 -8.475 -10.661 0.123 1.00 0.00 O ATOM 568 CG2 THR A 42 -6.173 -11.290 0.499 1.00 0.00 C ATOM 0 H THR A 42 -7.441 -9.205 -1.334 1.00 0.00 H new ATOM 0 HA THR A 42 -6.144 -11.590 -2.122 1.00 0.00 H new ATOM 0 HB THR A 42 -7.722 -12.550 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 42 -8.649 -10.850 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 42 -6.404 -11.496 1.544 1.00 0.00 H new ATOM 0 HG22 THR A 42 -5.383 -11.961 0.163 1.00 0.00 H new ATOM 0 HG23 THR A 42 -5.839 -10.257 0.398 1.00 0.00 H new ATOM 576 N ASP A 43 -8.995 -11.262 -3.439 1.00 0.00 N ATOM 577 CA ASP A 43 -10.021 -11.891 -4.282 1.00 0.00 C ATOM 578 C ASP A 43 -9.505 -12.152 -5.703 1.00 0.00 C ATOM 579 O ASP A 43 -10.214 -12.739 -6.529 1.00 0.00 O ATOM 580 CB ASP A 43 -11.276 -11.019 -4.328 1.00 0.00 C ATOM 581 CG ASP A 43 -12.426 -11.620 -3.544 1.00 0.00 C ATOM 582 OD1 ASP A 43 -12.491 -11.396 -2.317 1.00 0.00 O ATOM 583 OD2 ASP A 43 -13.263 -12.317 -4.157 1.00 0.00 O1- ATOM 0 H ASP A 43 -8.978 -10.243 -3.486 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.270 -12.854 -3.837 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.044 -10.032 -3.928 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.581 -10.880 -5.365 1.00 0.00 H new ATOM 588 N GLY A 44 -8.265 -11.723 -5.971 1.00 0.00 N ATOM 589 CA GLY A 44 -7.665 -11.911 -7.284 1.00 0.00 C ATOM 590 C GLY A 44 -7.636 -10.638 -8.113 1.00 0.00 C ATOM 591 O GLY A 44 -6.917 -10.567 -9.114 1.00 0.00 O ATOM 0 H GLY A 44 -7.666 -11.247 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.647 -12.282 -7.162 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.221 -12.677 -7.825 1.00 0.00 H new ATOM 595 N LEU A 45 -8.419 -9.634 -7.695 1.00 0.00 N ATOM 596 CA LEU A 45 -8.494 -8.353 -8.394 1.00 0.00 C ATOM 597 C LEU A 45 -7.511 -7.341 -7.808 1.00 0.00 C ATOM 598 O LEU A 45 -7.198 -7.385 -6.616 1.00 0.00 O ATOM 599 CB LEU A 45 -9.916 -7.797 -8.323 1.00 0.00 C ATOM 600 CG LEU A 45 -10.934 -8.521 -9.203 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.199 -8.816 -8.416 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.250 -7.696 -10.437 1.00 0.00 C ATOM 0 H LEU A 45 -9.013 -9.690 -6.868 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.224 -8.525 -9.436 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.256 -7.840 -7.288 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.894 -6.745 -8.608 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.503 -9.468 -9.526 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.914 -9.332 -9.057 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.957 -9.447 -7.561 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.635 -7.881 -8.065 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -11.977 -8.226 -11.053 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.664 -6.734 -10.135 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.337 -7.535 -11.010 1.00 0.00 H new ATOM 614 N LEU A 46 -7.032 -6.439 -8.668 1.00 0.00 N ATOM 615 CA LEU A 46 -6.087 -5.396 -8.283 1.00 0.00 C ATOM 616 C LEU A 46 -6.821 -4.121 -7.828 1.00 0.00 C ATOM 617 O LEU A 46 -8.009 -3.945 -8.117 1.00 0.00 O ATOM 618 CB LEU A 46 -5.187 -5.101 -9.490 1.00 0.00 C ATOM 619 CG LEU A 46 -4.053 -4.103 -9.283 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.862 -4.741 -8.585 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.656 -3.552 -10.625 1.00 0.00 C ATOM 0 H LEU A 46 -7.292 -6.414 -9.654 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.487 -5.737 -7.440 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.752 -6.042 -9.826 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.817 -4.734 -10.300 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.398 -3.297 -8.635 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.075 -3.998 -8.456 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.170 -5.116 -7.609 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.486 -5.567 -9.189 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.845 -2.835 -10.498 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.323 -4.366 -11.269 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.512 -3.055 -11.082 1.00 0.00 H new ATOM 633 N TYR A 47 -6.082 -3.231 -7.148 1.00 0.00 N ATOM 634 CA TYR A 47 -6.620 -1.971 -6.629 1.00 0.00 C ATOM 635 C TYR A 47 -5.612 -0.845 -6.868 1.00 0.00 C ATOM 636 O TYR A 47 -4.410 -1.047 -6.682 1.00 0.00 O ATOM 637 CB TYR A 47 -6.884 -2.072 -5.108 1.00 0.00 C ATOM 638 CG TYR A 47 -8.140 -2.822 -4.640 1.00 0.00 C ATOM 639 CD1 TYR A 47 -9.088 -3.362 -5.513 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.374 -2.962 -3.275 1.00 0.00 C ATOM 641 CE1 TYR A 47 -10.215 -4.008 -5.039 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.496 -3.611 -2.797 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.413 -4.129 -3.682 1.00 0.00 C ATOM 644 OH TYR A 47 -11.536 -4.764 -3.207 1.00 0.00 O ATOM 0 H TYR A 47 -5.092 -3.368 -6.944 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.557 -1.764 -7.147 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.019 -2.552 -4.651 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.933 -1.058 -4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.938 -3.273 -6.579 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.662 -2.554 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.937 -4.416 -5.731 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.653 -3.711 -1.733 1.00 0.00 H new ATOM 0 HH TYR A 47 -11.433 -5.733 -3.313 1.00 0.00 H new ATOM 654 N LEU A 48 -6.097 0.332 -7.283 1.00 0.00 N ATOM 655 CA LEU A 48 -5.223 1.487 -7.513 1.00 0.00 C ATOM 656 C LEU A 48 -5.244 2.408 -6.299 1.00 0.00 C ATOM 657 O LEU A 48 -6.292 2.606 -5.680 1.00 0.00 O ATOM 658 CB LEU A 48 -5.638 2.256 -8.784 1.00 0.00 C ATOM 659 CG LEU A 48 -4.873 3.567 -9.072 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.495 3.287 -9.659 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.679 4.457 -10.006 1.00 0.00 C ATOM 0 H LEU A 48 -7.085 0.508 -7.465 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.207 1.122 -7.663 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.515 1.593 -9.640 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.700 2.489 -8.711 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.732 4.088 -8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.983 4.230 -9.850 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.913 2.694 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.603 2.736 -10.594 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.127 5.377 -10.199 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.853 3.934 -10.946 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.635 4.699 -9.543 1.00 0.00 H new ATOM 673 N GLY A 49 -4.077 2.973 -5.982 1.00 0.00 N ATOM 674 CA GLY A 49 -3.973 3.866 -4.836 1.00 0.00 C ATOM 675 C GLY A 49 -2.761 4.776 -4.869 1.00 0.00 C ATOM 676 O GLY A 49 -1.980 4.753 -5.820 1.00 0.00 O ATOM 0 H GLY A 49 -3.207 2.829 -6.495 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.873 4.479 -4.784 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.941 3.268 -3.925 1.00 0.00 H new ATOM 680 N THR A 50 -2.643 5.602 -3.826 1.00 0.00 N ATOM 681 CA THR A 50 -1.521 6.526 -3.659 1.00 0.00 C ATOM 682 C THR A 50 -1.033 6.450 -2.223 1.00 0.00 C ATOM 683 O THR A 50 -1.825 6.542 -1.284 1.00 0.00 O ATOM 684 CB THR A 50 -1.877 7.989 -4.015 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.129 8.052 -4.713 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.781 8.606 -4.877 1.00 0.00 C ATOM 0 H THR A 50 -3.327 5.648 -3.071 1.00 0.00 H new ATOM 0 HA THR A 50 -0.739 6.221 -4.355 1.00 0.00 H new ATOM 0 HB THR A 50 -1.963 8.551 -3.085 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.337 8.985 -4.928 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.045 9.635 -5.120 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.162 8.593 -4.331 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.676 8.032 -5.797 1.00 0.00 H new ATOM 694 N ILE A 51 0.282 6.297 -2.066 1.00 0.00 N ATOM 695 CA ILE A 51 0.921 6.140 -0.750 1.00 0.00 C ATOM 696 C ILE A 51 0.723 7.344 0.174 1.00 0.00 C ATOM 697 O ILE A 51 1.166 8.456 -0.116 1.00 0.00 O ATOM 698 CB ILE A 51 2.438 5.806 -0.913 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.608 4.541 -1.789 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.149 5.627 0.443 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.042 3.267 -1.176 1.00 0.00 C ATOM 0 H ILE A 51 0.939 6.278 -2.846 1.00 0.00 H new ATOM 0 HA ILE A 51 0.419 5.303 -0.264 1.00 0.00 H new ATOM 0 HB ILE A 51 2.910 6.655 -1.407 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.124 4.713 -2.750 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.669 4.393 -1.988 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.201 5.396 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.067 6.548 1.021 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.682 4.810 0.994 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.205 2.432 -1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.542 3.066 -0.229 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.973 3.390 -1.003 1.00 0.00 H new ATOM 713 N LYS A 52 0.038 7.079 1.287 1.00 0.00 N ATOM 714 CA LYS A 52 -0.223 8.084 2.313 1.00 0.00 C ATOM 715 C LYS A 52 0.783 7.948 3.460 1.00 0.00 C ATOM 716 O LYS A 52 1.060 8.921 4.167 1.00 0.00 O ATOM 717 CB LYS A 52 -1.650 7.946 2.847 1.00 0.00 C ATOM 718 CG LYS A 52 -2.414 9.261 2.877 1.00 0.00 C ATOM 719 CD LYS A 52 -3.742 9.119 3.610 1.00 0.00 C ATOM 720 CE LYS A 52 -3.742 9.876 4.932 1.00 0.00 C ATOM 721 NZ LYS A 52 -3.910 11.344 4.735 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.351 6.161 1.501 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.112 9.071 1.864 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.194 7.232 2.228 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.614 7.532 3.855 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.808 10.024 3.365 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.595 9.601 1.857 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.548 9.492 2.978 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.944 8.064 3.795 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -4.546 9.501 5.565 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.807 9.686 5.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -3.904 11.821 5.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -3.129 11.708 4.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.814 11.529 4.255 1.00 0.00 H new ATOM 735 N LYS A 53 1.325 6.726 3.635 1.00 0.00 N ATOM 736 CA LYS A 53 2.312 6.436 4.685 1.00 0.00 C ATOM 737 C LYS A 53 3.277 5.346 4.219 1.00 0.00 C ATOM 738 O LYS A 53 2.961 4.577 3.307 1.00 0.00 O ATOM 739 CB LYS A 53 1.620 6.009 5.990 1.00 0.00 C ATOM 740 CG LYS A 53 2.207 6.653 7.247 1.00 0.00 C ATOM 741 CD LYS A 53 1.128 7.000 8.272 1.00 0.00 C ATOM 742 CE LYS A 53 0.735 8.471 8.197 1.00 0.00 C ATOM 743 NZ LYS A 53 -0.667 8.696 8.648 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.091 5.920 3.055 1.00 0.00 H new ATOM 0 HA LYS A 53 2.876 7.348 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.561 6.260 5.926 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.685 4.925 6.086 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.930 5.973 7.698 1.00 0.00 H new ATOM 0 HG3 LYS A 53 2.749 7.558 6.971 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.249 6.379 8.100 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.490 6.770 9.274 1.00 0.00 H new ATOM 0 HE2 LYS A 53 1.414 9.060 8.814 1.00 0.00 H new ATOM 0 HE3 LYS A 53 0.848 8.825 7.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.895 9.709 8.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.317 8.155 8.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.769 8.382 9.634 1.00 0.00 H new ATOM 757 N VAL A 54 4.448 5.283 4.861 1.00 0.00 N ATOM 758 CA VAL A 54 5.482 4.303 4.502 1.00 0.00 C ATOM 759 C VAL A 54 6.108 3.669 5.749 1.00 0.00 C ATOM 760 O VAL A 54 6.443 4.359 6.715 1.00 0.00 O ATOM 761 CB VAL A 54 6.604 4.942 3.616 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.753 3.968 3.353 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.043 5.425 2.284 1.00 0.00 C ATOM 0 H VAL A 54 4.705 5.899 5.632 1.00 0.00 H new ATOM 0 HA VAL A 54 4.986 3.524 3.922 1.00 0.00 H new ATOM 0 HB VAL A 54 6.993 5.792 4.177 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.508 4.454 2.735 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.199 3.667 4.301 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.372 3.087 2.836 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.844 5.864 1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.611 4.582 1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.272 6.174 2.464 1.00 0.00 H new ATOM 773 N ASP A 55 6.250 2.344 5.691 1.00 0.00 N ATOM 774 CA ASP A 55 6.857 1.557 6.761 1.00 0.00 C ATOM 775 C ASP A 55 8.031 0.744 6.193 1.00 0.00 C ATOM 776 O ASP A 55 7.893 -0.443 5.874 1.00 0.00 O ATOM 777 CB ASP A 55 5.809 0.642 7.415 1.00 0.00 C ATOM 778 CG ASP A 55 5.093 1.317 8.567 1.00 0.00 C ATOM 779 OD1 ASP A 55 4.130 2.070 8.308 1.00 0.00 O1- ATOM 780 OD2 ASP A 55 5.493 1.094 9.728 1.00 0.00 O ATOM 0 H ASP A 55 5.945 1.785 4.894 1.00 0.00 H new ATOM 0 HA ASP A 55 7.238 2.225 7.534 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.079 0.337 6.666 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.296 -0.265 7.774 1.00 0.00 H new ATOM 785 N SER A 56 9.188 1.412 6.056 1.00 0.00 N ATOM 786 CA SER A 56 10.408 0.793 5.509 1.00 0.00 C ATOM 787 C SER A 56 11.098 -0.158 6.505 1.00 0.00 C ATOM 788 O SER A 56 12.116 -0.777 6.174 1.00 0.00 O ATOM 789 CB SER A 56 11.387 1.885 5.069 1.00 0.00 C ATOM 790 OG SER A 56 10.773 2.793 4.169 1.00 0.00 O ATOM 0 H SER A 56 9.305 2.390 6.319 1.00 0.00 H new ATOM 0 HA SER A 56 10.104 0.189 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 56 11.750 2.425 5.943 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.255 1.429 4.593 1.00 0.00 H new ATOM 0 HG SER A 56 10.239 2.295 3.515 1.00 0.00 H new ATOM 796 N ALA A 57 10.531 -0.278 7.714 1.00 0.00 N ATOM 797 CA ALA A 57 11.083 -1.150 8.753 1.00 0.00 C ATOM 798 C ALA A 57 10.517 -2.571 8.657 1.00 0.00 C ATOM 799 O ALA A 57 11.251 -3.549 8.833 1.00 0.00 O ATOM 800 CB ALA A 57 10.811 -0.563 10.132 1.00 0.00 C ATOM 0 H ALA A 57 9.687 0.221 7.994 1.00 0.00 H new ATOM 0 HA ALA A 57 12.160 -1.212 8.598 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.226 -1.221 10.896 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.276 0.420 10.207 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.735 -0.468 10.281 1.00 0.00 H new ATOM 806 N ARG A 58 9.212 -2.671 8.375 1.00 0.00 N ATOM 807 CA ARG A 58 8.530 -3.963 8.257 1.00 0.00 C ATOM 808 C ARG A 58 8.155 -4.281 6.798 1.00 0.00 C ATOM 809 O ARG A 58 7.456 -5.265 6.531 1.00 0.00 O ATOM 810 CB ARG A 58 7.276 -3.968 9.139 1.00 0.00 C ATOM 811 CG ARG A 58 7.561 -4.249 10.606 1.00 0.00 C ATOM 812 CD ARG A 58 6.514 -3.618 11.509 1.00 0.00 C ATOM 813 NE ARG A 58 6.747 -3.929 12.924 1.00 0.00 N ATOM 814 CZ ARG A 58 6.758 -3.025 13.915 1.00 0.00 C ATOM 815 NH1 ARG A 58 6.543 -1.732 13.675 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 6.985 -3.423 15.160 1.00 0.00 N ATOM 0 H ARG A 58 8.605 -1.865 8.224 1.00 0.00 H new ATOM 0 HA ARG A 58 9.218 -4.738 8.594 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.779 -3.002 9.053 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.581 -4.719 8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.585 -5.326 10.773 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.547 -3.864 10.866 1.00 0.00 H new ATOM 0 HD2 ARG A 58 6.520 -2.537 11.370 1.00 0.00 H new ATOM 0 HD3 ARG A 58 5.525 -3.971 11.219 1.00 0.00 H new ATOM 0 HE ARG A 58 6.913 -4.904 13.172 1.00 0.00 H new ATOM 0 HH11 ARG A 58 6.366 -1.413 12.723 1.00 0.00 H new ATOM 0 HH12 ARG A 58 6.556 -1.062 14.444 1.00 0.00 H new ATOM 0 HH21 ARG A 58 7.150 -4.410 15.358 1.00 0.00 H new ATOM 0 HH22 ARG A 58 6.995 -2.742 15.919 1.00 0.00 H new ATOM 830 N GLU A 59 8.643 -3.449 5.847 1.00 0.00 N ATOM 831 CA GLU A 59 8.366 -3.605 4.396 1.00 0.00 C ATOM 832 C GLU A 59 6.863 -3.477 4.098 1.00 0.00 C ATOM 833 O GLU A 59 6.272 -4.286 3.369 1.00 0.00 O ATOM 834 CB GLU A 59 8.930 -4.939 3.855 1.00 0.00 C ATOM 835 CG GLU A 59 10.444 -4.943 3.691 1.00 0.00 C ATOM 836 CD GLU A 59 10.888 -4.419 2.338 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.654 -5.113 1.326 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.471 -3.315 2.291 1.00 0.00 O1- ATOM 0 H GLU A 59 9.240 -2.650 6.063 1.00 0.00 H new ATOM 0 HA GLU A 59 8.878 -2.795 3.876 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.645 -5.745 4.532 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.469 -5.154 2.891 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.892 -4.334 4.477 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.817 -5.959 3.823 1.00 0.00 H new ATOM 845 N VAL A 60 6.261 -2.433 4.679 1.00 0.00 N ATOM 846 CA VAL A 60 4.831 -2.149 4.517 1.00 0.00 C ATOM 847 C VAL A 60 4.622 -0.658 4.208 1.00 0.00 C ATOM 848 O VAL A 60 5.520 0.155 4.429 1.00 0.00 O ATOM 849 CB VAL A 60 4.005 -2.524 5.792 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.535 -2.749 5.457 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.563 -3.757 6.501 1.00 0.00 C ATOM 0 H VAL A 60 6.750 -1.763 5.273 1.00 0.00 H new ATOM 0 HA VAL A 60 4.476 -2.763 3.689 1.00 0.00 H new ATOM 0 HB VAL A 60 4.090 -1.675 6.470 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.990 -3.008 6.365 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.116 -1.838 5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.446 -3.562 4.737 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.956 -3.977 7.379 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.540 -4.609 5.821 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.591 -3.566 6.809 1.00 0.00 H new ATOM 861 N CYS A 61 3.440 -0.321 3.671 1.00 0.00 N ATOM 862 CA CYS A 61 3.083 1.066 3.335 1.00 0.00 C ATOM 863 C CYS A 61 1.578 1.247 3.338 1.00 0.00 C ATOM 864 O CYS A 61 0.833 0.331 2.974 1.00 0.00 O ATOM 865 CB CYS A 61 3.625 1.471 1.961 1.00 0.00 C ATOM 866 SG CYS A 61 5.310 2.123 2.011 1.00 0.00 S ATOM 0 H CYS A 61 2.708 -0.998 3.458 1.00 0.00 H new ATOM 0 HA CYS A 61 3.535 1.703 4.095 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.599 0.605 1.300 1.00 0.00 H new ATOM 0 HB3 CYS A 61 2.966 2.223 1.527 1.00 0.00 H new ATOM 0 HG CYS A 61 6.134 1.231 1.548 1.00 0.00 H new ATOM 872 N LEU A 62 1.141 2.436 3.751 1.00 0.00 N ATOM 873 CA LEU A 62 -0.276 2.768 3.774 1.00 0.00 C ATOM 874 C LEU A 62 -0.599 3.588 2.544 1.00 0.00 C ATOM 875 O LEU A 62 0.132 4.523 2.209 1.00 0.00 O ATOM 876 CB LEU A 62 -0.660 3.545 5.045 1.00 0.00 C ATOM 877 CG LEU A 62 -1.998 3.154 5.727 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.149 3.039 4.722 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.847 1.859 6.517 1.00 0.00 C ATOM 0 H LEU A 62 1.753 3.185 4.074 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.853 1.843 3.777 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.141 3.422 5.774 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.703 4.605 4.795 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.249 3.959 6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.064 2.764 5.247 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.292 3.997 4.221 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.911 2.275 3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.798 1.606 6.986 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.549 1.055 5.844 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.086 1.989 7.287 1.00 0.00 H new ATOM 891 N VAL A 63 -1.688 3.229 1.874 1.00 0.00 N ATOM 892 CA VAL A 63 -2.081 3.908 0.648 1.00 0.00 C ATOM 893 C VAL A 63 -3.567 4.261 0.650 1.00 0.00 C ATOM 894 O VAL A 63 -4.401 3.510 1.166 1.00 0.00 O ATOM 895 CB VAL A 63 -1.691 3.058 -0.623 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.023 1.741 -0.247 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.873 2.789 -1.539 1.00 0.00 C ATOM 0 H VAL A 63 -2.312 2.474 2.159 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.528 4.846 0.602 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.975 3.671 -1.171 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.772 1.189 -1.153 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.114 1.943 0.319 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.705 1.148 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.543 2.201 -2.395 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.638 2.238 -0.993 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.287 3.736 -1.887 1.00 0.00 H new ATOM 907 N GLN A 64 -3.868 5.424 0.062 1.00 0.00 N ATOM 908 CA GLN A 64 -5.238 5.911 -0.070 1.00 0.00 C ATOM 909 C GLN A 64 -5.749 5.514 -1.453 1.00 0.00 C ATOM 910 O GLN A 64 -5.056 5.722 -2.455 1.00 0.00 O ATOM 911 CB GLN A 64 -5.303 7.435 0.117 1.00 0.00 C ATOM 912 CG GLN A 64 -6.690 7.963 0.497 1.00 0.00 C ATOM 913 CD GLN A 64 -6.664 8.846 1.731 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.049 9.913 1.734 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.339 8.407 2.787 1.00 0.00 N ATOM 0 H GLN A 64 -3.167 6.050 -0.334 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.864 5.467 0.704 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.592 7.725 0.890 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -4.984 7.917 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.101 8.528 -0.340 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.359 7.121 0.672 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -7.835 7.517 2.741 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.362 8.960 3.644 1.00 0.00 H new ATOM 924 N PHE A 65 -6.949 4.953 -1.499 1.00 0.00 N ATOM 925 CA PHE A 65 -7.524 4.469 -2.748 1.00 0.00 C ATOM 926 C PHE A 65 -8.543 5.438 -3.347 1.00 0.00 C ATOM 927 O PHE A 65 -9.033 6.343 -2.665 1.00 0.00 O ATOM 928 CB PHE A 65 -8.126 3.085 -2.499 1.00 0.00 C ATOM 929 CG PHE A 65 -7.078 2.063 -2.127 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.573 1.990 -0.836 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.579 1.202 -3.078 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.597 1.071 -0.512 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.605 0.282 -2.760 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.115 0.217 -1.478 1.00 0.00 C ATOM 0 H PHE A 65 -7.546 4.821 -0.683 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.733 4.396 -3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.865 3.151 -1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.652 2.754 -3.394 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.949 2.660 -0.077 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.957 1.249 -4.089 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.212 1.022 0.496 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.227 -0.388 -3.518 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.351 -0.505 -1.228 1.00 0.00 H new ATOM 944 N GLU A 66 -8.846 5.225 -4.644 1.00 0.00 N ATOM 945 CA GLU A 66 -9.786 6.061 -5.412 1.00 0.00 C ATOM 946 C GLU A 66 -11.152 6.208 -4.734 1.00 0.00 C ATOM 947 O GLU A 66 -11.717 7.306 -4.720 1.00 0.00 O ATOM 948 CB GLU A 66 -9.971 5.488 -6.815 1.00 0.00 C ATOM 949 CG GLU A 66 -10.000 6.553 -7.903 1.00 0.00 C ATOM 950 CD GLU A 66 -8.611 7.015 -8.316 1.00 0.00 C ATOM 951 OE1 GLU A 66 -8.012 6.383 -9.211 1.00 0.00 O1- ATOM 952 OE2 GLU A 66 -8.125 8.013 -7.743 1.00 0.00 O ATOM 0 H GLU A 66 -8.442 4.463 -5.189 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.345 7.056 -5.465 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.162 4.788 -7.023 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.901 4.920 -6.848 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.521 6.159 -8.776 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.573 7.411 -7.550 1.00 0.00 H new ATOM 959 N ASP A 67 -11.680 5.106 -4.175 1.00 0.00 N ATOM 960 CA ASP A 67 -12.978 5.141 -3.500 1.00 0.00 C ATOM 961 C ASP A 67 -12.825 5.523 -2.003 1.00 0.00 C ATOM 962 O ASP A 67 -13.584 5.063 -1.140 1.00 0.00 O ATOM 963 CB ASP A 67 -13.681 3.787 -3.711 1.00 0.00 C ATOM 964 CG ASP A 67 -15.131 3.767 -3.247 1.00 0.00 C ATOM 965 OD1 ASP A 67 -16.009 4.192 -4.027 1.00 0.00 O ATOM 966 OD2 ASP A 67 -15.383 3.328 -2.106 1.00 0.00 O1- ATOM 0 H ASP A 67 -11.229 4.191 -4.179 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.605 5.920 -3.934 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.645 3.531 -4.770 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.128 3.014 -3.177 1.00 0.00 H new ATOM 971 N ASP A 68 -11.825 6.395 -1.716 1.00 0.00 N ATOM 972 CA ASP A 68 -11.533 6.918 -0.357 1.00 0.00 C ATOM 973 C ASP A 68 -11.371 5.813 0.706 1.00 0.00 C ATOM 974 O ASP A 68 -12.100 5.778 1.707 1.00 0.00 O ATOM 975 CB ASP A 68 -12.603 7.940 0.075 1.00 0.00 C ATOM 976 CG ASP A 68 -12.437 9.278 -0.617 1.00 0.00 C ATOM 977 OD1 ASP A 68 -12.925 9.421 -1.759 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -11.821 10.184 -0.019 1.00 0.00 O ATOM 0 H ASP A 68 -11.193 6.758 -2.429 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.566 7.417 -0.424 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.593 7.541 -0.145 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.550 8.083 1.154 1.00 0.00 H new ATOM 983 N SER A 69 -10.411 4.912 0.476 1.00 0.00 N ATOM 984 CA SER A 69 -10.143 3.821 1.412 1.00 0.00 C ATOM 985 C SER A 69 -8.696 3.826 1.874 1.00 0.00 C ATOM 986 O SER A 69 -7.774 3.864 1.056 1.00 0.00 O ATOM 987 CB SER A 69 -10.468 2.462 0.780 1.00 0.00 C ATOM 988 OG SER A 69 -11.066 1.592 1.726 1.00 0.00 O ATOM 0 H SER A 69 -9.810 4.918 -0.348 1.00 0.00 H new ATOM 0 HA SER A 69 -10.787 3.979 2.277 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.140 2.602 -0.066 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.555 2.010 0.391 1.00 0.00 H new ATOM 0 HG SER A 69 -11.266 0.733 1.300 1.00 0.00 H new ATOM 994 N GLN A 70 -8.509 3.814 3.198 1.00 0.00 N ATOM 995 CA GLN A 70 -7.177 3.753 3.789 1.00 0.00 C ATOM 996 C GLN A 70 -6.896 2.298 4.142 1.00 0.00 C ATOM 997 O GLN A 70 -7.276 1.807 5.214 1.00 0.00 O ATOM 998 CB GLN A 70 -7.066 4.665 5.019 1.00 0.00 C ATOM 999 CG GLN A 70 -6.421 6.011 4.718 1.00 0.00 C ATOM 1000 CD GLN A 70 -4.904 5.951 4.705 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.265 5.870 5.754 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.322 5.989 3.512 1.00 0.00 N ATOM 0 H GLN A 70 -9.268 3.846 3.878 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.434 4.114 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.062 4.831 5.430 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.485 4.156 5.788 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -6.773 6.369 3.751 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.744 6.738 5.463 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.892 6.056 2.669 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.305 5.951 3.439 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.236 1.616 3.211 1.00 0.00 N ATOM 1012 CA PHE A 71 -5.948 0.198 3.344 1.00 0.00 C ATOM 1013 C PHE A 71 -4.447 -0.070 3.400 1.00 0.00 C ATOM 1014 O PHE A 71 -3.684 0.394 2.549 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.606 -0.531 2.154 1.00 0.00 C ATOM 1016 CG PHE A 71 -7.910 -1.261 2.438 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.685 -1.011 3.574 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.364 -2.207 1.535 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -9.867 -1.693 3.790 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.547 -2.890 1.748 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.297 -2.635 2.878 1.00 0.00 C ATOM 0 H PHE A 71 -5.888 2.032 2.347 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.356 -0.175 4.283 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.789 0.200 1.366 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -5.891 -1.253 1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.356 -0.275 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.784 -2.415 0.648 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.455 -1.489 4.673 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -9.884 -3.623 1.030 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.219 -3.172 3.048 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.048 -0.834 4.428 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.650 -1.204 4.671 1.00 0.00 C ATOM 1033 C LEU A 72 -2.199 -2.302 3.695 1.00 0.00 C ATOM 1034 O LEU A 72 -2.782 -3.393 3.665 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.519 -1.681 6.126 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.094 -1.874 6.654 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -0.927 -1.193 8.003 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -0.774 -3.356 6.765 1.00 0.00 C ATOM 0 H LEU A 72 -4.695 -1.215 5.119 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.007 -0.339 4.508 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.027 -0.962 6.768 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.051 -2.627 6.224 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.398 -1.416 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 72 0.092 -1.341 8.362 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.123 -0.126 7.899 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.629 -1.623 8.717 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.241 -3.482 7.141 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.476 -3.830 7.451 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.857 -3.821 5.783 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.168 -1.998 2.900 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.644 -2.956 1.911 1.00 0.00 C ATOM 1052 C VAL A 73 0.845 -3.229 2.110 1.00 0.00 C ATOM 1053 O VAL A 73 1.594 -2.368 2.579 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.861 -2.497 0.438 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.059 -3.703 -0.478 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -2.035 -1.527 0.309 1.00 0.00 C ATOM 0 H VAL A 73 -0.680 -1.103 2.919 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.216 -3.868 2.082 1.00 0.00 H new ATOM 0 HB VAL A 73 0.038 -1.964 0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.209 -3.361 -1.502 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.177 -4.342 -0.434 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.933 -4.268 -0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.151 -1.232 -0.734 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.948 -2.013 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.845 -0.642 0.917 1.00 0.00 H new ATOM 1066 N LEU A 74 1.248 -4.449 1.728 1.00 0.00 N ATOM 1067 CA LEU A 74 2.638 -4.897 1.820 1.00 0.00 C ATOM 1068 C LEU A 74 3.385 -4.578 0.529 1.00 0.00 C ATOM 1069 O LEU A 74 2.791 -4.594 -0.550 1.00 0.00 O ATOM 1070 CB LEU A 74 2.705 -6.423 2.076 1.00 0.00 C ATOM 1071 CG LEU A 74 2.054 -6.968 3.373 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.413 -6.125 4.588 1.00 0.00 C ATOM 1073 CD2 LEU A 74 0.540 -7.081 3.227 1.00 0.00 C ATOM 0 H LEU A 74 0.615 -5.152 1.346 1.00 0.00 H new ATOM 0 HA LEU A 74 3.105 -4.371 2.653 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.237 -6.925 1.230 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.755 -6.716 2.080 1.00 0.00 H new ATOM 0 HG LEU A 74 2.459 -7.967 3.534 1.00 0.00 H new ATOM 0 HD11 LEU A 74 1.936 -6.543 5.474 1.00 0.00 H new ATOM 0 HD12 LEU A 74 3.494 -6.125 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 74 2.066 -5.103 4.437 1.00 0.00 H new ATOM 0 HD21 LEU A 74 0.113 -7.466 4.153 1.00 0.00 H new ATOM 0 HD22 LEU A 74 0.120 -6.098 3.015 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.303 -7.760 2.408 1.00 0.00 H new ATOM 1085 N TRP A 75 4.696 -4.319 0.644 1.00 0.00 N ATOM 1086 CA TRP A 75 5.546 -3.997 -0.524 1.00 0.00 C ATOM 1087 C TRP A 75 5.588 -5.148 -1.547 1.00 0.00 C ATOM 1088 O TRP A 75 6.004 -4.948 -2.691 1.00 0.00 O ATOM 1089 CB TRP A 75 6.977 -3.649 -0.080 1.00 0.00 C ATOM 1090 CG TRP A 75 7.120 -2.355 0.693 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.154 -1.697 1.409 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.318 -1.572 0.838 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.674 -0.560 1.972 1.00 0.00 N ATOM 1094 CE2 TRP A 75 7.997 -0.461 1.641 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.633 -1.698 0.368 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 8.933 0.510 1.983 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.561 -0.731 0.710 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.206 0.360 1.512 1.00 0.00 C ATOM 0 H TRP A 75 5.196 -4.325 1.533 1.00 0.00 H new ATOM 0 HA TRP A 75 5.096 -3.131 -1.009 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.357 -4.464 0.536 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.611 -3.596 -0.965 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.131 -2.027 1.514 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.157 0.106 2.546 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.917 -2.536 -0.251 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.662 1.354 2.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.576 -0.819 0.352 1.00 0.00 H new ATOM 0 HH2 TRP A 75 10.954 1.098 1.763 1.00 0.00 H new ATOM 1109 N LYS A 76 5.153 -6.346 -1.119 1.00 0.00 N ATOM 1110 CA LYS A 76 5.119 -7.532 -1.993 1.00 0.00 C ATOM 1111 C LYS A 76 3.801 -7.602 -2.782 1.00 0.00 C ATOM 1112 O LYS A 76 3.763 -8.146 -3.889 1.00 0.00 O ATOM 1113 CB LYS A 76 5.336 -8.834 -1.187 1.00 0.00 C ATOM 1114 CG LYS A 76 4.547 -8.936 0.119 1.00 0.00 C ATOM 1115 CD LYS A 76 4.435 -10.379 0.588 1.00 0.00 C ATOM 1116 CE LYS A 76 4.057 -10.462 2.061 1.00 0.00 C ATOM 1117 NZ LYS A 76 5.204 -10.901 2.903 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.819 -6.519 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 76 5.939 -7.434 -2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.070 -9.681 -1.819 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.398 -8.927 -0.959 1.00 0.00 H new ATOM 0 HG2 LYS A 76 5.035 -8.338 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.550 -8.519 -0.023 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.687 -10.900 -0.010 1.00 0.00 H new ATOM 0 HD3 LYS A 76 5.384 -10.890 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.708 -9.487 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.228 -11.159 2.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 4.907 -10.945 3.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.521 -11.842 2.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.986 -10.223 2.805 1.00 0.00 H new ATOM 1131 N ASP A 77 2.733 -7.045 -2.194 1.00 0.00 N ATOM 1132 CA ASP A 77 1.407 -7.013 -2.821 1.00 0.00 C ATOM 1133 C ASP A 77 1.186 -5.701 -3.585 1.00 0.00 C ATOM 1134 O ASP A 77 0.115 -5.479 -4.162 1.00 0.00 O ATOM 1135 CB ASP A 77 0.319 -7.175 -1.754 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.187 -8.601 -1.651 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.574 -9.467 -1.170 1.00 0.00 O ATOM 1138 OD2 ASP A 77 -1.343 -8.851 -2.051 1.00 0.00 O1- ATOM 0 H ASP A 77 2.765 -6.606 -1.274 1.00 0.00 H new ATOM 0 HA ASP A 77 1.351 -7.838 -3.531 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.714 -6.862 -0.787 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.515 -6.513 -1.987 1.00 0.00 H new ATOM 1143 N ILE A 78 2.216 -4.849 -3.595 1.00 0.00 N ATOM 1144 CA ILE A 78 2.146 -3.549 -4.258 1.00 0.00 C ATOM 1145 C ILE A 78 2.885 -3.561 -5.602 1.00 0.00 C ATOM 1146 O ILE A 78 3.973 -4.133 -5.726 1.00 0.00 O ATOM 1147 CB ILE A 78 2.704 -2.423 -3.333 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.774 -2.252 -2.119 1.00 0.00 C ATOM 1149 CG2 ILE A 78 2.851 -1.094 -4.084 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.414 -1.584 -0.924 1.00 0.00 C ATOM 0 H ILE A 78 3.112 -5.041 -3.148 1.00 0.00 H new ATOM 0 HA ILE A 78 1.095 -3.341 -4.460 1.00 0.00 H new ATOM 0 HB ILE A 78 3.698 -2.717 -2.996 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.905 -1.668 -2.423 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.408 -3.233 -1.817 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.242 -0.335 -3.407 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.538 -1.223 -4.920 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.877 -0.779 -4.459 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.685 -1.506 -0.117 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.265 -2.177 -0.588 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.754 -0.587 -1.203 1.00 0.00 H new ATOM 1162 N SER A 79 2.264 -2.915 -6.593 1.00 0.00 N ATOM 1163 CA SER A 79 2.821 -2.788 -7.937 1.00 0.00 C ATOM 1164 C SER A 79 2.785 -1.309 -8.363 1.00 0.00 C ATOM 1165 O SER A 79 1.709 -0.783 -8.653 1.00 0.00 O ATOM 1166 CB SER A 79 2.033 -3.654 -8.932 1.00 0.00 C ATOM 1167 OG SER A 79 2.897 -4.510 -9.658 1.00 0.00 O ATOM 0 H SER A 79 1.356 -2.464 -6.482 1.00 0.00 H new ATOM 0 HA SER A 79 3.854 -3.137 -7.933 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.294 -4.248 -8.395 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.486 -3.013 -9.623 1.00 0.00 H new ATOM 0 HG SER A 79 2.371 -5.052 -10.283 1.00 0.00 H new ATOM 1173 N PRO A 80 3.953 -0.591 -8.389 1.00 0.00 N ATOM 1174 CA PRO A 80 3.998 0.839 -8.779 1.00 0.00 C ATOM 1175 C PRO A 80 3.333 1.119 -10.132 1.00 0.00 C ATOM 1176 O PRO A 80 3.698 0.531 -11.155 1.00 0.00 O ATOM 1177 CB PRO A 80 5.497 1.148 -8.834 1.00 0.00 C ATOM 1178 CG PRO A 80 6.111 0.174 -7.891 1.00 0.00 C ATOM 1179 CD PRO A 80 5.305 -1.088 -8.030 1.00 0.00 C ATOM 0 HA PRO A 80 3.445 1.462 -8.075 1.00 0.00 H new ATOM 0 HB2 PRO A 80 5.891 1.026 -9.843 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.702 2.175 -8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.159 -0.001 -8.136 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.081 0.547 -6.867 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.711 -1.742 -8.802 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.290 -1.660 -7.102 1.00 0.00 H new ATOM 1187 N ALA A 81 2.340 2.021 -10.108 1.00 0.00 N ATOM 1188 CA ALA A 81 1.579 2.403 -11.305 1.00 0.00 C ATOM 1189 C ALA A 81 2.389 3.309 -12.240 1.00 0.00 C ATOM 1190 O ALA A 81 2.286 3.196 -13.464 1.00 0.00 O ATOM 1191 CB ALA A 81 0.286 3.094 -10.897 1.00 0.00 C ATOM 0 H ALA A 81 2.043 2.504 -9.260 1.00 0.00 H new ATOM 0 HA ALA A 81 1.350 1.490 -11.855 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.274 3.375 -11.789 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.314 2.415 -10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.518 3.988 -10.318 1.00 0.00 H new