USER MOD reduce.3.24.130724 H: found=0, std=0, add=407, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 408 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 52 LYS NZ :NH3+ -169:sc= 0.25 (180deg=0) USER MOD Set 1.2: A 70 GLN : amide:sc= -3.65! K(o=-3.4!,f=-2.5) USER MOD Single : A 35 GLN : amide:sc= 0.211 K(o=0.21,f=-2.9!) USER MOD Single : A 42 THR OG1 : rot -19:sc= 0.582 USER MOD Single : A 47 TYR OH : rot 103:sc= 1.49 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -41:sc= 0.0192 USER MOD Single : A 61 CYS SG : rot 103:sc= -12.4! USER MOD Single : A 64 GLN : amide:sc= -2.27 X(o=-2.3,f=-2.3!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 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 8.882 3.336 -2.283 1.00 0.00 N ATOM 376 CA LEU A 31 7.680 3.660 -1.507 1.00 0.00 C ATOM 377 C LEU A 31 7.850 5.009 -0.806 1.00 0.00 C ATOM 378 O LEU A 31 8.708 5.162 0.072 1.00 0.00 O ATOM 379 CB LEU A 31 7.385 2.544 -0.477 1.00 0.00 C ATOM 380 CG LEU A 31 6.393 1.429 -0.905 1.00 0.00 C ATOM 381 CD1 LEU A 31 5.211 1.981 -1.686 1.00 0.00 C ATOM 382 CD2 LEU A 31 7.086 0.343 -1.712 1.00 0.00 C ATOM 0 HA LEU A 31 6.832 3.729 -2.189 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.330 2.071 -0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.997 3.013 0.427 1.00 0.00 H new ATOM 0 HG LEU A 31 6.012 0.989 0.017 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.545 1.164 -1.964 1.00 0.00 H new ATOM 0 HD12 LEU A 31 4.669 2.697 -1.068 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.570 2.478 -2.587 1.00 0.00 H new ATOM 0 HD21 LEU A 31 6.360 -0.420 -1.994 1.00 0.00 H new ATOM 0 HD22 LEU A 31 7.521 0.779 -2.611 1.00 0.00 H new ATOM 0 HD23 LEU A 31 7.874 -0.110 -1.111 1.00 0.00 H new ATOM 394 N TRP A 32 7.027 5.990 -1.214 1.00 0.00 N ATOM 395 CA TRP A 32 7.074 7.348 -0.650 1.00 0.00 C ATOM 396 C TRP A 32 5.677 7.981 -0.630 1.00 0.00 C ATOM 397 O TRP A 32 4.789 7.548 -1.368 1.00 0.00 O ATOM 398 CB TRP A 32 8.069 8.235 -1.443 1.00 0.00 C ATOM 399 CG TRP A 32 7.662 8.540 -2.865 1.00 0.00 C ATOM 400 CD1 TRP A 32 7.570 7.656 -3.902 1.00 0.00 C ATOM 401 CD2 TRP A 32 7.298 9.824 -3.401 1.00 0.00 C ATOM 402 NE1 TRP A 32 7.165 8.305 -5.041 1.00 0.00 N ATOM 403 CE2 TRP A 32 6.994 9.635 -4.761 1.00 0.00 C ATOM 404 CE3 TRP A 32 7.198 11.114 -2.862 1.00 0.00 C ATOM 405 CZ2 TRP A 32 6.598 10.684 -5.589 1.00 0.00 C ATOM 406 CZ3 TRP A 32 6.804 12.152 -3.686 1.00 0.00 C ATOM 407 CH2 TRP A 32 6.508 11.931 -5.036 1.00 0.00 C ATOM 0 H TRP A 32 6.318 5.865 -1.936 1.00 0.00 H new ATOM 0 HA TRP A 32 7.426 7.276 0.379 1.00 0.00 H new ATOM 0 HB2 TRP A 32 8.198 9.176 -0.909 1.00 0.00 H new ATOM 0 HB3 TRP A 32 9.040 7.741 -1.458 1.00 0.00 H new ATOM 0 HD1 TRP A 32 7.785 6.600 -3.835 1.00 0.00 H new ATOM 0 HE1 TRP A 32 7.015 7.867 -5.950 1.00 0.00 H new ATOM 0 HE3 TRP A 32 7.425 11.294 -1.822 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.370 10.517 -6.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 6.723 13.150 -3.281 1.00 0.00 H new ATOM 0 HH2 TRP A 32 6.202 12.763 -5.653 1.00 0.00 H new ATOM 418 N GLU A 33 5.502 9.028 0.195 1.00 0.00 N ATOM 419 CA GLU A 33 4.215 9.732 0.324 1.00 0.00 C ATOM 420 C GLU A 33 3.815 10.428 -0.985 1.00 0.00 C ATOM 421 O GLU A 33 4.511 11.334 -1.461 1.00 0.00 O ATOM 422 CB GLU A 33 4.282 10.750 1.465 1.00 0.00 C ATOM 423 CG GLU A 33 4.028 10.144 2.835 1.00 0.00 C ATOM 424 CD GLU A 33 3.955 11.191 3.930 1.00 0.00 C ATOM 425 OE1 GLU A 33 5.014 11.526 4.502 1.00 0.00 O1- ATOM 426 OE2 GLU A 33 2.840 11.675 4.215 1.00 0.00 O ATOM 0 H GLU A 33 6.242 9.407 0.786 1.00 0.00 H new ATOM 0 HA GLU A 33 3.451 8.988 0.550 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.264 11.223 1.462 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.549 11.536 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.095 9.581 2.812 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.822 9.435 3.068 1.00 0.00 H new ATOM 433 N GLY A 34 2.692 9.978 -1.556 1.00 0.00 N ATOM 434 CA GLY A 34 2.191 10.526 -2.808 1.00 0.00 C ATOM 435 C GLY A 34 2.616 9.696 -4.005 1.00 0.00 C ATOM 436 O GLY A 34 2.779 10.227 -5.107 1.00 0.00 O ATOM 0 H GLY A 34 2.116 9.233 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.103 10.577 -2.771 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.554 11.547 -2.928 1.00 0.00 H new ATOM 440 N GLN A 35 2.793 8.389 -3.776 1.00 0.00 N ATOM 441 CA GLN A 35 3.206 7.462 -4.819 1.00 0.00 C ATOM 442 C GLN A 35 2.003 6.642 -5.283 1.00 0.00 C ATOM 443 O GLN A 35 1.394 5.921 -4.484 1.00 0.00 O ATOM 444 CB GLN A 35 4.350 6.563 -4.275 1.00 0.00 C ATOM 445 CG GLN A 35 4.522 5.200 -4.967 1.00 0.00 C ATOM 446 CD GLN A 35 5.841 5.057 -5.706 1.00 0.00 C ATOM 447 OE1 GLN A 35 6.336 5.997 -6.333 1.00 0.00 O ATOM 448 NE2 GLN A 35 6.408 3.861 -5.644 1.00 0.00 N ATOM 0 H GLN A 35 2.653 7.953 -2.865 1.00 0.00 H new ATOM 0 HA GLN A 35 3.586 8.005 -5.685 1.00 0.00 H new ATOM 0 HB2 GLN A 35 5.288 7.112 -4.359 1.00 0.00 H new ATOM 0 HB3 GLN A 35 4.176 6.390 -3.213 1.00 0.00 H new ATOM 0 HG2 GLN A 35 4.446 4.410 -4.220 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.703 5.053 -5.671 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.963 3.112 -5.113 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.290 3.689 -6.127 1.00 0.00 H new ATOM 457 N ASP A 36 1.660 6.761 -6.576 1.00 0.00 N ATOM 458 CA ASP A 36 0.543 6.000 -7.149 1.00 0.00 C ATOM 459 C ASP A 36 0.947 4.533 -7.239 1.00 0.00 C ATOM 460 O ASP A 36 1.809 4.154 -8.041 1.00 0.00 O ATOM 461 CB ASP A 36 0.128 6.544 -8.521 1.00 0.00 C ATOM 462 CG ASP A 36 -0.538 7.904 -8.432 1.00 0.00 C ATOM 463 OD1 ASP A 36 0.188 8.917 -8.355 1.00 0.00 O1- ATOM 464 OD2 ASP A 36 -1.786 7.955 -8.438 1.00 0.00 O ATOM 0 H ASP A 36 2.137 7.373 -7.238 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.327 6.103 -6.500 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.008 6.615 -9.161 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -0.555 5.839 -8.996 1.00 0.00 H new ATOM 469 N VAL A 37 0.317 3.726 -6.396 1.00 0.00 N ATOM 470 CA VAL A 37 0.627 2.307 -6.297 1.00 0.00 C ATOM 471 C VAL A 37 -0.528 1.413 -6.730 1.00 0.00 C ATOM 472 O VAL A 37 -1.661 1.869 -6.916 1.00 0.00 O ATOM 473 CB VAL A 37 1.008 1.926 -4.836 1.00 0.00 C ATOM 474 CG1 VAL A 37 2.362 2.514 -4.461 1.00 0.00 C ATOM 475 CG2 VAL A 37 -0.079 2.349 -3.829 1.00 0.00 C ATOM 0 H VAL A 37 -0.421 4.036 -5.764 1.00 0.00 H new ATOM 0 HA VAL A 37 1.466 2.142 -6.973 1.00 0.00 H new ATOM 0 HB VAL A 37 1.081 0.839 -4.790 1.00 0.00 H new ATOM 0 HG11 VAL A 37 2.608 2.236 -3.436 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.126 2.128 -5.136 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.322 3.600 -4.542 1.00 0.00 H new ATOM 0 HG21 VAL A 37 0.227 2.064 -2.822 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -0.217 3.429 -3.875 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.017 1.853 -4.077 1.00 0.00 H new ATOM 485 N LEU A 38 -0.201 0.133 -6.881 1.00 0.00 N ATOM 486 CA LEU A 38 -1.160 -0.885 -7.243 1.00 0.00 C ATOM 487 C LEU A 38 -1.190 -1.930 -6.147 1.00 0.00 C ATOM 488 O LEU A 38 -0.306 -2.790 -6.044 1.00 0.00 O ATOM 489 CB LEU A 38 -0.802 -1.490 -8.602 1.00 0.00 C ATOM 490 CG LEU A 38 -0.958 -0.537 -9.793 1.00 0.00 C ATOM 491 CD1 LEU A 38 -0.215 -1.071 -11.007 1.00 0.00 C ATOM 492 CD2 LEU A 38 -2.429 -0.321 -10.114 1.00 0.00 C ATOM 0 H LEU A 38 0.747 -0.221 -6.753 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.156 -0.453 -7.341 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.230 -1.840 -8.568 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -1.430 -2.365 -8.771 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.522 0.425 -9.523 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.338 -0.381 -11.841 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.844 -1.170 -10.771 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -0.618 -2.046 -11.280 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.521 0.358 -10.962 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.891 -1.276 -10.363 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.931 0.110 -9.248 1.00 0.00 H new ATOM 504 N ALA A 39 -2.222 -1.822 -5.318 1.00 0.00 N ATOM 505 CA ALA A 39 -2.426 -2.710 -4.191 1.00 0.00 C ATOM 506 C ALA A 39 -3.288 -3.901 -4.608 1.00 0.00 C ATOM 507 O ALA A 39 -4.497 -3.764 -4.827 1.00 0.00 O ATOM 508 CB ALA A 39 -3.069 -1.930 -3.052 1.00 0.00 C ATOM 0 H ALA A 39 -2.944 -1.108 -5.414 1.00 0.00 H new ATOM 0 HA ALA A 39 -1.468 -3.101 -3.848 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.225 -2.592 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -2.415 -1.109 -2.758 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -4.028 -1.529 -3.381 1.00 0.00 H new ATOM 514 N ARG A 40 -2.647 -5.065 -4.732 1.00 0.00 N ATOM 515 CA ARG A 40 -3.326 -6.300 -5.133 1.00 0.00 C ATOM 516 C ARG A 40 -4.252 -6.805 -4.025 1.00 0.00 C ATOM 517 O ARG A 40 -3.820 -6.996 -2.884 1.00 0.00 O ATOM 518 CB ARG A 40 -2.292 -7.371 -5.472 1.00 0.00 C ATOM 519 CG ARG A 40 -2.644 -8.202 -6.697 1.00 0.00 C ATOM 520 CD ARG A 40 -1.589 -9.264 -6.972 1.00 0.00 C ATOM 521 NE ARG A 40 -1.793 -10.465 -6.153 1.00 0.00 N ATOM 522 CZ ARG A 40 -1.079 -11.595 -6.267 1.00 0.00 C ATOM 523 NH1 ARG A 40 -0.101 -11.707 -7.165 1.00 0.00 N1+ ATOM 524 NH2 ARG A 40 -1.351 -12.622 -5.473 1.00 0.00 N ATOM 0 H ARG A 40 -1.648 -5.179 -4.559 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.933 -6.086 -6.013 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.327 -6.891 -5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.177 -8.035 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.612 -8.680 -6.548 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.740 -7.550 -7.565 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.614 -9.536 -8.027 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.600 -8.853 -6.773 1.00 0.00 H new ATOM 0 HE ARG A 40 -2.529 -10.438 -5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.117 -10.925 -7.782 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.430 -12.575 -7.235 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -2.098 -12.549 -4.782 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.813 -13.485 -5.553 1.00 0.00 H new ATOM 538 N TRP A 41 -5.527 -7.009 -4.375 1.00 0.00 N ATOM 539 CA TRP A 41 -6.526 -7.486 -3.415 1.00 0.00 C ATOM 540 C TRP A 41 -6.588 -9.025 -3.392 1.00 0.00 C ATOM 541 O TRP A 41 -6.153 -9.688 -4.339 1.00 0.00 O ATOM 542 CB TRP A 41 -7.900 -6.849 -3.715 1.00 0.00 C ATOM 543 CG TRP A 41 -8.901 -6.990 -2.592 1.00 0.00 C ATOM 544 CD1 TRP A 41 -10.110 -7.616 -2.657 1.00 0.00 C ATOM 545 CD2 TRP A 41 -8.779 -6.495 -1.243 1.00 0.00 C ATOM 546 NE1 TRP A 41 -10.747 -7.550 -1.442 1.00 0.00 N ATOM 547 CE2 TRP A 41 -9.952 -6.869 -0.559 1.00 0.00 C ATOM 548 CE3 TRP A 41 -7.796 -5.778 -0.549 1.00 0.00 C ATOM 549 CZ2 TRP A 41 -10.167 -6.552 0.781 1.00 0.00 C ATOM 550 CZ3 TRP A 41 -8.013 -5.465 0.780 1.00 0.00 C ATOM 551 CH2 TRP A 41 -9.190 -5.852 1.433 1.00 0.00 C ATOM 0 H TRP A 41 -5.890 -6.851 -5.315 1.00 0.00 H new ATOM 0 HA TRP A 41 -6.228 -7.173 -2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -7.759 -5.790 -3.931 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -8.312 -7.306 -4.615 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -10.510 -8.096 -3.538 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -11.664 -7.944 -1.231 1.00 0.00 H new ATOM 0 HE3 TRP A 41 -6.885 -5.475 -1.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -11.074 -6.849 1.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 -7.262 -4.912 1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 41 -9.329 -5.592 2.472 1.00 0.00 H new ATOM 562 N THR A 42 -7.137 -9.570 -2.293 1.00 0.00 N ATOM 563 CA THR A 42 -7.235 -11.029 -2.072 1.00 0.00 C ATOM 564 C THR A 42 -8.244 -11.748 -2.999 1.00 0.00 C ATOM 565 O THR A 42 -8.291 -12.982 -3.009 1.00 0.00 O ATOM 566 CB THR A 42 -7.556 -11.352 -0.577 1.00 0.00 C ATOM 567 OG1 THR A 42 -7.618 -12.770 -0.373 1.00 0.00 O ATOM 568 CG2 THR A 42 -8.867 -10.713 -0.102 1.00 0.00 C ATOM 0 H THR A 42 -7.526 -9.014 -1.531 1.00 0.00 H new ATOM 0 HA THR A 42 -6.251 -11.421 -2.331 1.00 0.00 H new ATOM 0 HB THR A 42 -6.746 -10.924 0.013 1.00 0.00 H new ATOM 0 HG1 THR A 42 -7.753 -13.219 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 42 -9.040 -10.971 0.943 1.00 0.00 H new ATOM 0 HG22 THR A 42 -8.801 -9.630 -0.203 1.00 0.00 H new ATOM 0 HG23 THR A 42 -9.693 -11.084 -0.708 1.00 0.00 H new ATOM 576 N ASP A 43 -9.035 -10.987 -3.763 1.00 0.00 N ATOM 577 CA ASP A 43 -10.024 -11.578 -4.677 1.00 0.00 C ATOM 578 C ASP A 43 -9.444 -11.762 -6.085 1.00 0.00 C ATOM 579 O ASP A 43 -10.132 -12.249 -6.990 1.00 0.00 O ATOM 580 CB ASP A 43 -11.290 -10.714 -4.740 1.00 0.00 C ATOM 581 CG ASP A 43 -12.088 -10.744 -3.448 1.00 0.00 C ATOM 582 OD1 ASP A 43 -12.531 -11.843 -3.047 1.00 0.00 O1- ATOM 583 OD2 ASP A 43 -12.275 -9.670 -2.839 1.00 0.00 O ATOM 0 H ASP A 43 -9.012 -9.967 -3.769 1.00 0.00 H new ATOM 0 HA ASP A 43 -10.286 -12.561 -4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -11.011 -9.685 -4.966 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -11.920 -11.060 -5.559 1.00 0.00 H new ATOM 588 N GLY A 44 -8.170 -11.382 -6.251 1.00 0.00 N ATOM 589 CA GLY A 44 -7.506 -11.495 -7.542 1.00 0.00 C ATOM 590 C GLY A 44 -7.549 -10.200 -8.338 1.00 0.00 C ATOM 591 O GLY A 44 -6.884 -10.081 -9.371 1.00 0.00 O ATOM 0 H GLY A 44 -7.587 -10.997 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.467 -11.788 -7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.978 -12.289 -8.121 1.00 0.00 H new ATOM 595 N LEU A 45 -8.337 -9.234 -7.848 1.00 0.00 N ATOM 596 CA LEU A 45 -8.485 -7.933 -8.496 1.00 0.00 C ATOM 597 C LEU A 45 -7.496 -6.918 -7.930 1.00 0.00 C ATOM 598 O LEU A 45 -7.239 -6.895 -6.723 1.00 0.00 O ATOM 599 CB LEU A 45 -9.914 -7.415 -8.318 1.00 0.00 C ATOM 600 CG LEU A 45 -10.978 -8.163 -9.122 1.00 0.00 C ATOM 601 CD1 LEU A 45 -12.115 -8.607 -8.216 1.00 0.00 C ATOM 602 CD2 LEU A 45 -11.501 -7.290 -10.249 1.00 0.00 C ATOM 0 H LEU A 45 -8.886 -9.336 -6.994 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.275 -8.062 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -10.175 -7.469 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.941 -6.362 -8.600 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.522 -9.051 -9.559 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.863 -9.138 -8.805 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -11.726 -9.269 -7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -12.572 -7.734 -7.751 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.257 -7.837 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.942 -6.384 -9.833 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -10.679 -7.021 -10.912 1.00 0.00 H new ATOM 614 N LEU A 46 -6.946 -6.088 -8.822 1.00 0.00 N ATOM 615 CA LEU A 46 -5.985 -5.048 -8.455 1.00 0.00 C ATOM 616 C LEU A 46 -6.706 -3.773 -7.990 1.00 0.00 C ATOM 617 O LEU A 46 -7.876 -3.559 -8.323 1.00 0.00 O ATOM 618 CB LEU A 46 -5.091 -4.746 -9.666 1.00 0.00 C ATOM 619 CG LEU A 46 -3.918 -3.792 -9.439 1.00 0.00 C ATOM 620 CD1 LEU A 46 -2.784 -4.463 -8.678 1.00 0.00 C ATOM 621 CD2 LEU A 46 -3.432 -3.295 -10.776 1.00 0.00 C ATOM 0 H LEU A 46 -7.156 -6.120 -9.820 1.00 0.00 H new ATOM 0 HA LEU A 46 -5.373 -5.403 -7.626 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -4.693 -5.690 -10.038 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.718 -4.331 -10.455 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.260 -2.956 -8.830 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.970 -3.752 -8.537 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.146 -4.798 -7.706 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.423 -5.321 -9.245 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.595 -2.613 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.108 -4.141 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.241 -2.771 -11.285 1.00 0.00 H new ATOM 633 N TYR A 47 -5.979 -2.927 -7.249 1.00 0.00 N ATOM 634 CA TYR A 47 -6.518 -1.677 -6.708 1.00 0.00 C ATOM 635 C TYR A 47 -5.503 -0.553 -6.906 1.00 0.00 C ATOM 636 O TYR A 47 -4.312 -0.750 -6.654 1.00 0.00 O ATOM 637 CB TYR A 47 -6.810 -1.807 -5.194 1.00 0.00 C ATOM 638 CG TYR A 47 -8.013 -2.655 -4.754 1.00 0.00 C ATOM 639 CD1 TYR A 47 -8.921 -3.227 -5.649 1.00 0.00 C ATOM 640 CD2 TYR A 47 -8.236 -2.866 -3.396 1.00 0.00 C ATOM 641 CE1 TYR A 47 -9.997 -3.970 -5.205 1.00 0.00 C ATOM 642 CE2 TYR A 47 -9.310 -3.611 -2.948 1.00 0.00 C ATOM 643 CZ TYR A 47 -10.186 -4.160 -3.855 1.00 0.00 C ATOM 644 OH TYR A 47 -11.259 -4.900 -3.412 1.00 0.00 O ATOM 0 H TYR A 47 -5.001 -3.092 -7.009 1.00 0.00 H new ATOM 0 HA TYR A 47 -7.446 -1.455 -7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -5.920 -2.220 -4.718 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -6.948 -0.802 -4.795 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -8.778 -3.085 -6.710 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -7.554 -2.438 -2.676 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.688 -4.401 -5.915 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.461 -3.762 -1.889 1.00 0.00 H new ATOM 0 HH TYR A 47 -10.954 -5.794 -3.152 1.00 0.00 H new ATOM 654 N LEU A 48 -5.968 0.617 -7.359 1.00 0.00 N ATOM 655 CA LEU A 48 -5.083 1.769 -7.551 1.00 0.00 C ATOM 656 C LEU A 48 -5.137 2.674 -6.329 1.00 0.00 C ATOM 657 O LEU A 48 -6.206 2.873 -5.743 1.00 0.00 O ATOM 658 CB LEU A 48 -5.454 2.556 -8.822 1.00 0.00 C ATOM 659 CG LEU A 48 -4.642 3.846 -9.083 1.00 0.00 C ATOM 660 CD1 LEU A 48 -3.281 3.532 -9.689 1.00 0.00 C ATOM 661 CD2 LEU A 48 -5.418 4.794 -9.982 1.00 0.00 C ATOM 0 H LEU A 48 -6.945 0.790 -7.598 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.065 1.400 -7.677 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.336 1.896 -9.681 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.510 2.820 -8.766 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.476 4.333 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.736 4.460 -9.860 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.715 2.900 -9.005 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.416 3.011 -10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.830 5.696 -10.154 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.622 4.306 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.360 5.061 -9.503 1.00 0.00 H new ATOM 673 N GLY A 49 -3.980 3.222 -5.965 1.00 0.00 N ATOM 674 CA GLY A 49 -3.910 4.099 -4.807 1.00 0.00 C ATOM 675 C GLY A 49 -2.702 5.013 -4.797 1.00 0.00 C ATOM 676 O GLY A 49 -1.895 5.001 -5.725 1.00 0.00 O ATOM 0 H GLY A 49 -3.094 3.076 -6.448 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -4.813 4.708 -4.770 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -3.899 3.490 -3.903 1.00 0.00 H new ATOM 680 N THR A 50 -2.616 5.829 -3.744 1.00 0.00 N ATOM 681 CA THR A 50 -1.505 6.757 -3.538 1.00 0.00 C ATOM 682 C THR A 50 -1.028 6.632 -2.101 1.00 0.00 C ATOM 683 O THR A 50 -1.831 6.677 -1.167 1.00 0.00 O ATOM 684 CB THR A 50 -1.870 8.227 -3.841 1.00 0.00 C ATOM 685 OG1 THR A 50 -3.139 8.309 -4.507 1.00 0.00 O ATOM 686 CG2 THR A 50 -0.795 8.870 -4.711 1.00 0.00 C ATOM 0 H THR A 50 -3.320 5.864 -3.007 1.00 0.00 H new ATOM 0 HA THR A 50 -0.717 6.486 -4.241 1.00 0.00 H new ATOM 0 HB THR A 50 -1.935 8.762 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 50 -3.353 9.248 -4.689 1.00 0.00 H new ATOM 0 HG21 THR A 50 -1.065 9.906 -4.917 1.00 0.00 H new ATOM 0 HG22 THR A 50 0.161 8.841 -4.189 1.00 0.00 H new ATOM 0 HG23 THR A 50 -0.712 8.323 -5.650 1.00 0.00 H new ATOM 694 N ILE A 51 0.286 6.487 -1.938 1.00 0.00 N ATOM 695 CA ILE A 51 0.915 6.290 -0.624 1.00 0.00 C ATOM 696 C ILE A 51 0.715 7.466 0.337 1.00 0.00 C ATOM 697 O ILE A 51 1.149 8.589 0.077 1.00 0.00 O ATOM 698 CB ILE A 51 2.432 5.957 -0.787 1.00 0.00 C ATOM 699 CG1 ILE A 51 2.607 4.714 -1.693 1.00 0.00 C ATOM 700 CG2 ILE A 51 3.136 5.742 0.565 1.00 0.00 C ATOM 701 CD1 ILE A 51 2.061 3.421 -1.102 1.00 0.00 C ATOM 0 H ILE A 51 0.950 6.502 -2.712 1.00 0.00 H new ATOM 0 HA ILE A 51 0.406 5.441 -0.167 1.00 0.00 H new ATOM 0 HB ILE A 51 2.906 6.819 -1.257 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.111 4.901 -2.645 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.668 4.582 -1.906 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.188 5.513 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.054 6.648 1.166 1.00 0.00 H new ATOM 0 HG23 ILE A 51 2.665 4.912 1.093 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.226 2.603 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.573 3.205 -0.165 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.993 3.529 -0.915 1.00 0.00 H new ATOM 713 N LYS A 52 0.040 7.163 1.446 1.00 0.00 N ATOM 714 CA LYS A 52 -0.219 8.134 2.505 1.00 0.00 C ATOM 715 C LYS A 52 0.792 7.963 3.643 1.00 0.00 C ATOM 716 O LYS A 52 1.083 8.917 4.370 1.00 0.00 O ATOM 717 CB LYS A 52 -1.643 7.969 3.041 1.00 0.00 C ATOM 718 CG LYS A 52 -2.349 9.288 3.316 1.00 0.00 C ATOM 719 CD LYS A 52 -3.699 9.071 3.986 1.00 0.00 C ATOM 720 CE LYS A 52 -3.662 9.452 5.458 1.00 0.00 C ATOM 721 NZ LYS A 52 -4.837 8.920 6.201 1.00 0.00 N1+ ATOM 0 H LYS A 52 -0.342 6.236 1.634 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.114 9.136 2.089 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -2.229 7.397 2.322 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -1.610 7.386 3.961 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.722 9.911 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -2.489 9.829 2.380 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -4.458 9.663 3.475 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -3.991 8.025 3.888 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -2.745 9.071 5.908 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -3.635 10.538 5.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.874 9.351 7.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -5.709 9.148 5.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -4.750 7.888 6.295 1.00 0.00 H new ATOM 735 N LYS A 53 1.322 6.732 3.784 1.00 0.00 N ATOM 736 CA LYS A 53 2.310 6.406 4.821 1.00 0.00 C ATOM 737 C LYS A 53 3.276 5.333 4.319 1.00 0.00 C ATOM 738 O LYS A 53 2.958 4.589 3.386 1.00 0.00 O ATOM 739 CB LYS A 53 1.618 5.930 6.112 1.00 0.00 C ATOM 740 CG LYS A 53 2.046 6.692 7.366 1.00 0.00 C ATOM 741 CD LYS A 53 1.231 7.968 7.575 1.00 0.00 C ATOM 742 CE LYS A 53 2.119 9.201 7.563 1.00 0.00 C ATOM 743 NZ LYS A 53 1.327 10.460 7.616 1.00 0.00 N1+ ATOM 0 H LYS A 53 1.077 5.944 3.185 1.00 0.00 H new ATOM 0 HA LYS A 53 2.873 7.312 5.046 1.00 0.00 H new ATOM 0 HB2 LYS A 53 0.539 6.028 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.828 4.870 6.255 1.00 0.00 H new ATOM 0 HG2 LYS A 53 1.935 6.046 8.237 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.103 6.947 7.291 1.00 0.00 H new ATOM 0 HD2 LYS A 53 0.478 8.053 6.792 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.699 7.910 8.524 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.800 9.165 8.413 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.733 9.197 6.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 1.971 11.276 7.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 0.695 10.508 6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 0.760 10.477 8.488 1.00 0.00 H new ATOM 757 N VAL A 54 4.451 5.253 4.954 1.00 0.00 N ATOM 758 CA VAL A 54 5.484 4.283 4.569 1.00 0.00 C ATOM 759 C VAL A 54 6.116 3.630 5.804 1.00 0.00 C ATOM 760 O VAL A 54 6.456 4.307 6.778 1.00 0.00 O ATOM 761 CB VAL A 54 6.600 4.937 3.685 1.00 0.00 C ATOM 762 CG1 VAL A 54 7.757 3.972 3.422 1.00 0.00 C ATOM 763 CG2 VAL A 54 6.036 5.416 2.352 1.00 0.00 C ATOM 0 H VAL A 54 4.711 5.850 5.739 1.00 0.00 H new ATOM 0 HA VAL A 54 4.988 3.515 3.976 1.00 0.00 H new ATOM 0 HB VAL A 54 6.979 5.791 4.246 1.00 0.00 H new ATOM 0 HG11 VAL A 54 8.509 4.465 2.806 1.00 0.00 H new ATOM 0 HG12 VAL A 54 8.204 3.673 4.370 1.00 0.00 H new ATOM 0 HG13 VAL A 54 7.384 3.089 2.903 1.00 0.00 H new ATOM 0 HG21 VAL A 54 6.833 5.865 1.760 1.00 0.00 H new ATOM 0 HG22 VAL A 54 5.614 4.569 1.810 1.00 0.00 H new ATOM 0 HG23 VAL A 54 5.256 6.156 2.532 1.00 0.00 H new ATOM 773 N ASP A 55 6.258 2.306 5.727 1.00 0.00 N ATOM 774 CA ASP A 55 6.866 1.504 6.784 1.00 0.00 C ATOM 775 C ASP A 55 8.042 0.702 6.206 1.00 0.00 C ATOM 776 O ASP A 55 7.910 -0.483 5.875 1.00 0.00 O ATOM 777 CB ASP A 55 5.819 0.578 7.424 1.00 0.00 C ATOM 778 CG ASP A 55 5.126 1.221 8.609 1.00 0.00 C ATOM 779 OD1 ASP A 55 5.737 1.272 9.697 1.00 0.00 O1- ATOM 780 OD2 ASP A 55 3.972 1.671 8.451 1.00 0.00 O ATOM 0 H ASP A 55 5.951 1.758 4.923 1.00 0.00 H new ATOM 0 HA ASP A 55 7.246 2.161 7.566 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.075 0.304 6.676 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.302 -0.345 7.746 1.00 0.00 H new ATOM 785 N SER A 56 9.197 1.376 6.073 1.00 0.00 N ATOM 786 CA SER A 56 10.420 0.768 5.519 1.00 0.00 C ATOM 787 C SER A 56 11.093 -0.214 6.491 1.00 0.00 C ATOM 788 O SER A 56 12.042 -0.911 6.115 1.00 0.00 O ATOM 789 CB SER A 56 11.410 1.867 5.125 1.00 0.00 C ATOM 790 OG SER A 56 12.314 1.410 4.134 1.00 0.00 O ATOM 0 H SER A 56 9.310 2.353 6.345 1.00 0.00 H new ATOM 0 HA SER A 56 10.122 0.194 4.642 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.865 2.734 4.752 1.00 0.00 H new ATOM 0 HB3 SER A 56 11.965 2.193 6.005 1.00 0.00 H new ATOM 0 HG SER A 56 12.588 0.492 4.340 1.00 0.00 H new ATOM 796 N ALA A 57 10.592 -0.269 7.732 1.00 0.00 N ATOM 797 CA ALA A 57 11.136 -1.164 8.759 1.00 0.00 C ATOM 798 C ALA A 57 10.476 -2.545 8.708 1.00 0.00 C ATOM 799 O ALA A 57 11.136 -3.563 8.942 1.00 0.00 O ATOM 800 CB ALA A 57 10.964 -0.547 10.137 1.00 0.00 C ATOM 0 H ALA A 57 9.807 0.299 8.049 1.00 0.00 H new ATOM 0 HA ALA A 57 12.199 -1.297 8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.372 -1.221 10.891 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.492 0.405 10.178 1.00 0.00 H new ATOM 0 HB3 ALA A 57 9.904 -0.383 10.332 1.00 0.00 H new ATOM 806 N ARG A 58 9.174 -2.564 8.402 1.00 0.00 N ATOM 807 CA ARG A 58 8.405 -3.808 8.314 1.00 0.00 C ATOM 808 C ARG A 58 8.053 -4.152 6.856 1.00 0.00 C ATOM 809 O ARG A 58 7.314 -5.109 6.598 1.00 0.00 O ATOM 810 CB ARG A 58 7.127 -3.681 9.157 1.00 0.00 C ATOM 811 CG ARG A 58 6.711 -4.968 9.864 1.00 0.00 C ATOM 812 CD ARG A 58 6.888 -4.856 11.372 1.00 0.00 C ATOM 813 NE ARG A 58 6.432 -6.063 12.074 1.00 0.00 N ATOM 814 CZ ARG A 58 5.233 -6.198 12.661 1.00 0.00 C ATOM 815 NH1 ARG A 58 4.336 -5.214 12.634 1.00 0.00 N1+ ATOM 816 NH2 ARG A 58 4.931 -7.334 13.276 1.00 0.00 N ATOM 0 H ARG A 58 8.628 -1.724 8.210 1.00 0.00 H new ATOM 0 HA ARG A 58 9.019 -4.620 8.702 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.274 -2.901 9.904 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.311 -3.354 8.512 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.669 -5.191 9.634 1.00 0.00 H new ATOM 0 HG3 ARG A 58 7.305 -5.800 9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.939 -4.680 11.601 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.333 -3.993 11.738 1.00 0.00 H new ATOM 0 HE ARG A 58 7.073 -6.855 12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.555 -4.337 12.161 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.430 -5.337 13.086 1.00 0.00 H new ATOM 0 HH21 ARG A 58 5.608 -8.097 13.300 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.022 -7.445 13.725 1.00 0.00 H new ATOM 830 N GLU A 59 8.604 -3.371 5.896 1.00 0.00 N ATOM 831 CA GLU A 59 8.360 -3.558 4.442 1.00 0.00 C ATOM 832 C GLU A 59 6.866 -3.428 4.100 1.00 0.00 C ATOM 833 O GLU A 59 6.307 -4.214 3.325 1.00 0.00 O ATOM 834 CB GLU A 59 8.929 -4.907 3.948 1.00 0.00 C ATOM 835 CG GLU A 59 10.443 -4.908 3.783 1.00 0.00 C ATOM 836 CD GLU A 59 10.880 -4.460 2.400 1.00 0.00 C ATOM 837 OE1 GLU A 59 10.673 -5.225 1.435 1.00 0.00 O ATOM 838 OE2 GLU A 59 11.428 -3.344 2.283 1.00 0.00 O1- ATOM 0 H GLU A 59 9.230 -2.594 6.106 1.00 0.00 H new ATOM 0 HA GLU A 59 8.888 -2.761 3.917 1.00 0.00 H new ATOM 0 HB2 GLU A 59 8.648 -5.690 4.653 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.468 -5.158 2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 59 10.887 -4.251 4.531 1.00 0.00 H new ATOM 0 HG3 GLU A 59 10.825 -5.911 3.973 1.00 0.00 H new ATOM 845 N VAL A 60 6.236 -2.407 4.693 1.00 0.00 N ATOM 846 CA VAL A 60 4.809 -2.127 4.491 1.00 0.00 C ATOM 847 C VAL A 60 4.603 -0.632 4.198 1.00 0.00 C ATOM 848 O VAL A 60 5.504 0.176 4.426 1.00 0.00 O ATOM 849 CB VAL A 60 3.952 -2.535 5.736 1.00 0.00 C ATOM 850 CG1 VAL A 60 2.477 -2.700 5.381 1.00 0.00 C ATOM 851 CG2 VAL A 60 4.467 -3.810 6.400 1.00 0.00 C ATOM 0 H VAL A 60 6.699 -1.753 5.324 1.00 0.00 H new ATOM 0 HA VAL A 60 4.476 -2.723 3.641 1.00 0.00 H new ATOM 0 HB VAL A 60 4.050 -1.716 6.448 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.918 -2.983 6.273 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.089 -1.758 4.993 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.370 -3.476 4.623 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.840 -4.052 7.258 1.00 0.00 H new ATOM 0 HG22 VAL A 60 4.435 -4.631 5.684 1.00 0.00 H new ATOM 0 HG23 VAL A 60 5.494 -3.658 6.732 1.00 0.00 H new ATOM 861 N CYS A 61 3.420 -0.282 3.664 1.00 0.00 N ATOM 862 CA CYS A 61 3.068 1.110 3.348 1.00 0.00 C ATOM 863 C CYS A 61 1.561 1.293 3.333 1.00 0.00 C ATOM 864 O CYS A 61 0.822 0.392 2.924 1.00 0.00 O ATOM 865 CB CYS A 61 3.633 1.543 1.992 1.00 0.00 C ATOM 866 SG CYS A 61 5.341 2.119 2.075 1.00 0.00 S ATOM 0 H CYS A 61 2.685 -0.954 3.441 1.00 0.00 H new ATOM 0 HA CYS A 61 3.508 1.732 4.127 1.00 0.00 H new ATOM 0 HB2 CYS A 61 3.574 0.704 1.298 1.00 0.00 H new ATOM 0 HB3 CYS A 61 3.009 2.338 1.584 1.00 0.00 H new ATOM 0 HG CYS A 61 6.135 1.189 1.634 1.00 0.00 H new ATOM 872 N LEU A 62 1.115 2.468 3.782 1.00 0.00 N ATOM 873 CA LEU A 62 -0.303 2.804 3.796 1.00 0.00 C ATOM 874 C LEU A 62 -0.619 3.642 2.576 1.00 0.00 C ATOM 875 O LEU A 62 0.123 4.573 2.252 1.00 0.00 O ATOM 876 CB LEU A 62 -0.700 3.570 5.067 1.00 0.00 C ATOM 877 CG LEU A 62 -2.033 3.162 5.746 1.00 0.00 C ATOM 878 CD1 LEU A 62 -3.189 3.069 4.741 1.00 0.00 C ATOM 879 CD2 LEU A 62 -1.879 1.851 6.509 1.00 0.00 C ATOM 0 H LEU A 62 1.723 3.204 4.142 1.00 0.00 H new ATOM 0 HA LEU A 62 -0.874 1.876 3.783 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.101 3.454 5.797 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.756 4.630 4.820 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.282 3.950 6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.102 2.780 5.262 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.335 4.038 4.263 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -2.953 2.323 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.828 1.588 6.976 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.583 1.061 5.819 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -1.116 1.966 7.279 1.00 0.00 H new ATOM 891 N VAL A 63 -1.713 3.306 1.903 1.00 0.00 N ATOM 892 CA VAL A 63 -2.100 4.008 0.686 1.00 0.00 C ATOM 893 C VAL A 63 -3.595 4.322 0.665 1.00 0.00 C ATOM 894 O VAL A 63 -4.420 3.535 1.144 1.00 0.00 O ATOM 895 CB VAL A 63 -1.668 3.206 -0.599 1.00 0.00 C ATOM 896 CG1 VAL A 63 -1.018 1.872 -0.250 1.00 0.00 C ATOM 897 CG2 VAL A 63 -2.818 2.978 -1.566 1.00 0.00 C ATOM 0 H VAL A 63 -2.346 2.555 2.178 1.00 0.00 H new ATOM 0 HA VAL A 63 -1.568 4.960 0.679 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.931 3.835 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.736 1.354 -1.167 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -0.129 2.048 0.355 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -1.723 1.259 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.460 2.421 -2.432 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -3.604 2.410 -1.069 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.215 3.939 -1.892 1.00 0.00 H new ATOM 907 N GLN A 64 -3.917 5.491 0.099 1.00 0.00 N ATOM 908 CA GLN A 64 -5.299 5.937 -0.059 1.00 0.00 C ATOM 909 C GLN A 64 -5.759 5.549 -1.464 1.00 0.00 C ATOM 910 O GLN A 64 -4.990 5.662 -2.422 1.00 0.00 O ATOM 911 CB GLN A 64 -5.420 7.453 0.153 1.00 0.00 C ATOM 912 CG GLN A 64 -6.833 7.924 0.512 1.00 0.00 C ATOM 913 CD GLN A 64 -6.884 8.703 1.815 1.00 0.00 C ATOM 914 OE1 GLN A 64 -6.188 9.707 1.985 1.00 0.00 O ATOM 915 NE2 GLN A 64 -7.716 8.246 2.742 1.00 0.00 N ATOM 0 H GLN A 64 -3.226 6.150 -0.260 1.00 0.00 H new ATOM 0 HA GLN A 64 -5.930 5.460 0.691 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -4.736 7.754 0.947 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -5.099 7.963 -0.755 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -7.218 8.549 -0.294 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -7.491 7.058 0.586 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -8.274 7.412 2.560 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -7.798 8.729 3.637 1.00 0.00 H new ATOM 924 N PHE A 65 -7.004 5.107 -1.582 1.00 0.00 N ATOM 925 CA PHE A 65 -7.531 4.647 -2.860 1.00 0.00 C ATOM 926 C PHE A 65 -8.550 5.610 -3.468 1.00 0.00 C ATOM 927 O PHE A 65 -9.075 6.490 -2.781 1.00 0.00 O ATOM 928 CB PHE A 65 -8.110 3.245 -2.655 1.00 0.00 C ATOM 929 CG PHE A 65 -7.053 2.241 -2.257 1.00 0.00 C ATOM 930 CD1 PHE A 65 -6.566 2.180 -0.957 1.00 0.00 C ATOM 931 CD2 PHE A 65 -6.533 1.380 -3.193 1.00 0.00 C ATOM 932 CE1 PHE A 65 -5.585 1.274 -0.613 1.00 0.00 C ATOM 933 CE2 PHE A 65 -5.554 0.471 -2.856 1.00 0.00 C ATOM 934 CZ PHE A 65 -5.080 0.418 -1.566 1.00 0.00 C ATOM 0 H PHE A 65 -7.667 5.057 -0.809 1.00 0.00 H new ATOM 0 HA PHE A 65 -6.720 4.611 -3.588 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -8.881 3.282 -1.886 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -8.593 2.916 -3.575 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -6.960 2.850 -0.207 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -6.897 1.416 -4.209 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -5.214 1.236 0.401 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -5.159 -0.200 -3.605 1.00 0.00 H new ATOM 0 HZ PHE A 65 -4.313 -0.294 -1.301 1.00 0.00 H new ATOM 944 N GLU A 66 -8.813 5.422 -4.781 1.00 0.00 N ATOM 945 CA GLU A 66 -9.747 6.262 -5.556 1.00 0.00 C ATOM 946 C GLU A 66 -11.129 6.374 -4.906 1.00 0.00 C ATOM 947 O GLU A 66 -11.708 7.464 -4.874 1.00 0.00 O ATOM 948 CB GLU A 66 -9.907 5.714 -6.973 1.00 0.00 C ATOM 949 CG GLU A 66 -9.973 6.801 -8.043 1.00 0.00 C ATOM 950 CD GLU A 66 -8.607 7.225 -8.564 1.00 0.00 C ATOM 951 OE1 GLU A 66 -7.745 6.345 -8.782 1.00 0.00 O ATOM 952 OE2 GLU A 66 -8.404 8.442 -8.765 1.00 0.00 O1- ATOM 0 H GLU A 66 -8.381 4.681 -5.332 1.00 0.00 H new ATOM 0 HA GLU A 66 -9.310 7.260 -5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -9.072 5.049 -7.193 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.815 5.113 -7.021 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.576 6.442 -8.877 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -10.483 7.673 -7.633 1.00 0.00 H new ATOM 959 N ASP A 67 -11.653 5.248 -4.391 1.00 0.00 N ATOM 960 CA ASP A 67 -12.968 5.246 -3.756 1.00 0.00 C ATOM 961 C ASP A 67 -12.872 5.600 -2.248 1.00 0.00 C ATOM 962 O ASP A 67 -13.643 5.101 -1.419 1.00 0.00 O ATOM 963 CB ASP A 67 -13.642 3.887 -4.024 1.00 0.00 C ATOM 964 CG ASP A 67 -15.103 3.829 -3.601 1.00 0.00 C ATOM 965 OD1 ASP A 67 -15.938 4.491 -4.254 1.00 0.00 O1- ATOM 966 OD2 ASP A 67 -15.409 3.122 -2.618 1.00 0.00 O ATOM 0 H ASP A 67 -11.187 4.341 -4.405 1.00 0.00 H new ATOM 0 HA ASP A 67 -13.595 6.025 -4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.573 3.662 -5.088 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.090 3.109 -3.497 1.00 0.00 H new ATOM 971 N ASP A 68 -11.904 6.494 -1.913 1.00 0.00 N ATOM 972 CA ASP A 68 -11.668 6.997 -0.536 1.00 0.00 C ATOM 973 C ASP A 68 -11.533 5.875 0.512 1.00 0.00 C ATOM 974 O ASP A 68 -12.300 5.812 1.482 1.00 0.00 O ATOM 975 CB ASP A 68 -12.766 7.997 -0.125 1.00 0.00 C ATOM 976 CG ASP A 68 -12.364 9.437 -0.382 1.00 0.00 C ATOM 977 OD1 ASP A 68 -12.263 9.822 -1.566 1.00 0.00 O1- ATOM 978 OD2 ASP A 68 -12.152 10.179 0.599 1.00 0.00 O ATOM 0 H ASP A 68 -11.260 6.888 -2.599 1.00 0.00 H new ATOM 0 HA ASP A 68 -10.706 7.510 -0.560 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -13.680 7.774 -0.675 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -12.992 7.869 0.934 1.00 0.00 H new ATOM 983 N SER A 69 -10.555 4.991 0.302 1.00 0.00 N ATOM 984 CA SER A 69 -10.314 3.884 1.225 1.00 0.00 C ATOM 985 C SER A 69 -8.870 3.860 1.702 1.00 0.00 C ATOM 986 O SER A 69 -7.942 3.955 0.899 1.00 0.00 O ATOM 987 CB SER A 69 -10.651 2.543 0.566 1.00 0.00 C ATOM 988 OG SER A 69 -11.148 1.619 1.519 1.00 0.00 O ATOM 0 H SER A 69 -9.921 5.021 -0.496 1.00 0.00 H new ATOM 0 HA SER A 69 -10.964 4.038 2.086 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.392 2.695 -0.219 1.00 0.00 H new ATOM 0 HB3 SER A 69 -9.760 2.135 0.088 1.00 0.00 H new ATOM 0 HG SER A 69 -11.357 0.771 1.074 1.00 0.00 H new ATOM 994 N GLN A 70 -8.698 3.756 3.023 1.00 0.00 N ATOM 995 CA GLN A 70 -7.372 3.663 3.627 1.00 0.00 C ATOM 996 C GLN A 70 -7.090 2.194 3.916 1.00 0.00 C ATOM 997 O GLN A 70 -7.513 1.647 4.943 1.00 0.00 O ATOM 998 CB GLN A 70 -7.277 4.515 4.900 1.00 0.00 C ATOM 999 CG GLN A 70 -6.655 5.887 4.670 1.00 0.00 C ATOM 1000 CD GLN A 70 -5.138 5.859 4.677 1.00 0.00 C ATOM 1001 OE1 GLN A 70 -4.510 5.861 5.736 1.00 0.00 O ATOM 1002 NE2 GLN A 70 -4.541 5.833 3.490 1.00 0.00 N ATOM 0 H GLN A 70 -9.466 3.734 3.694 1.00 0.00 H new ATOM 0 HA GLN A 70 -6.622 4.055 2.940 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.276 4.643 5.317 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -6.688 3.978 5.644 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -7.001 6.281 3.715 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -7.004 6.572 5.443 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -5.101 5.832 2.637 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.523 5.814 3.432 1.00 0.00 H new ATOM 1011 N PHE A 71 -6.383 1.561 2.982 1.00 0.00 N ATOM 1012 CA PHE A 71 -6.082 0.141 3.070 1.00 0.00 C ATOM 1013 C PHE A 71 -4.579 -0.109 3.171 1.00 0.00 C ATOM 1014 O PHE A 71 -3.801 0.334 2.321 1.00 0.00 O ATOM 1015 CB PHE A 71 -6.687 -0.558 1.834 1.00 0.00 C ATOM 1016 CG PHE A 71 -8.070 -1.170 2.008 1.00 0.00 C ATOM 1017 CD1 PHE A 71 -8.879 -0.906 3.117 1.00 0.00 C ATOM 1018 CD2 PHE A 71 -8.565 -2.013 1.026 1.00 0.00 C ATOM 1019 CE1 PHE A 71 -10.134 -1.475 3.231 1.00 0.00 C ATOM 1020 CE2 PHE A 71 -9.819 -2.582 1.139 1.00 0.00 C ATOM 1021 CZ PHE A 71 -10.603 -2.315 2.242 1.00 0.00 C ATOM 0 H PHE A 71 -6.007 2.017 2.151 1.00 0.00 H new ATOM 0 HA PHE A 71 -6.522 -0.270 3.978 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -6.735 0.167 1.021 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -6.003 -1.346 1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.519 -0.249 3.895 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.960 -2.229 0.158 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -10.747 -1.262 4.094 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -10.186 -3.237 0.362 1.00 0.00 H new ATOM 0 HZ PHE A 71 -11.582 -2.762 2.331 1.00 0.00 H new ATOM 1031 N LEU A 72 -4.192 -0.828 4.238 1.00 0.00 N ATOM 1032 CA LEU A 72 -2.794 -1.174 4.519 1.00 0.00 C ATOM 1033 C LEU A 72 -2.298 -2.251 3.542 1.00 0.00 C ATOM 1034 O LEU A 72 -2.871 -3.344 3.468 1.00 0.00 O ATOM 1035 CB LEU A 72 -2.687 -1.668 5.972 1.00 0.00 C ATOM 1036 CG LEU A 72 -1.268 -1.910 6.502 1.00 0.00 C ATOM 1037 CD1 LEU A 72 -1.092 -1.273 7.870 1.00 0.00 C ATOM 1038 CD2 LEU A 72 -0.981 -3.401 6.569 1.00 0.00 C ATOM 0 H LEU A 72 -4.847 -1.187 4.933 1.00 0.00 H new ATOM 0 HA LEU A 72 -2.166 -0.293 4.388 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.175 -0.938 6.619 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.249 -2.598 6.060 1.00 0.00 H new ATOM 0 HG LEU A 72 -0.558 -1.448 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -0.079 -1.456 8.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -1.262 -0.199 7.796 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.808 -1.707 8.568 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.029 -3.561 6.947 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -1.698 -3.880 7.236 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -1.068 -3.833 5.572 1.00 0.00 H new ATOM 1050 N VAL A 73 -1.238 -1.925 2.799 1.00 0.00 N ATOM 1051 CA VAL A 73 -0.665 -2.856 1.814 1.00 0.00 C ATOM 1052 C VAL A 73 0.826 -3.067 2.038 1.00 0.00 C ATOM 1053 O VAL A 73 1.529 -2.175 2.523 1.00 0.00 O ATOM 1054 CB VAL A 73 -0.874 -2.392 0.345 1.00 0.00 C ATOM 1055 CG1 VAL A 73 -1.081 -3.593 -0.575 1.00 0.00 C ATOM 1056 CG2 VAL A 73 -2.036 -1.407 0.219 1.00 0.00 C ATOM 0 H VAL A 73 -0.758 -1.027 2.857 1.00 0.00 H new ATOM 0 HA VAL A 73 -1.203 -3.792 1.966 1.00 0.00 H new ATOM 0 HB VAL A 73 0.031 -1.868 0.036 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -1.225 -3.247 -1.598 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -0.205 -4.240 -0.531 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -1.961 -4.151 -0.253 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.148 -1.108 -0.823 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -2.955 -1.883 0.561 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -1.835 -0.527 0.830 1.00 0.00 H new ATOM 1066 N LEU A 74 1.289 -4.265 1.664 1.00 0.00 N ATOM 1067 CA LEU A 74 2.693 -4.638 1.787 1.00 0.00 C ATOM 1068 C LEU A 74 3.428 -4.410 0.480 1.00 0.00 C ATOM 1069 O LEU A 74 2.832 -4.474 -0.598 1.00 0.00 O ATOM 1070 CB LEU A 74 2.828 -6.107 2.196 1.00 0.00 C ATOM 1071 CG LEU A 74 3.467 -6.345 3.566 1.00 0.00 C ATOM 1072 CD1 LEU A 74 2.412 -6.276 4.653 1.00 0.00 C ATOM 1073 CD2 LEU A 74 4.187 -7.685 3.601 1.00 0.00 C ATOM 0 H LEU A 74 0.699 -4.998 1.269 1.00 0.00 H new ATOM 0 HA LEU A 74 3.137 -4.009 2.559 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.837 -6.562 2.191 1.00 0.00 H new ATOM 0 HB3 LEU A 74 3.420 -6.625 1.442 1.00 0.00 H new ATOM 0 HG LEU A 74 4.204 -5.562 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 74 2.878 -6.447 5.624 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.944 -5.292 4.643 1.00 0.00 H new ATOM 0 HD13 LEU A 74 1.655 -7.040 4.474 1.00 0.00 H new ATOM 0 HD21 LEU A 74 4.633 -7.833 4.584 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.475 -8.486 3.402 1.00 0.00 H new ATOM 0 HD23 LEU A 74 4.969 -7.698 2.842 1.00 0.00 H new ATOM 1085 N TRP A 75 4.740 -4.171 0.588 1.00 0.00 N ATOM 1086 CA TRP A 75 5.606 -3.931 -0.579 1.00 0.00 C ATOM 1087 C TRP A 75 5.612 -5.126 -1.550 1.00 0.00 C ATOM 1088 O TRP A 75 6.064 -4.996 -2.692 1.00 0.00 O ATOM 1089 CB TRP A 75 7.042 -3.606 -0.128 1.00 0.00 C ATOM 1090 CG TRP A 75 7.195 -2.324 0.672 1.00 0.00 C ATOM 1091 CD1 TRP A 75 6.230 -1.666 1.396 1.00 0.00 C ATOM 1092 CD2 TRP A 75 8.400 -1.556 0.839 1.00 0.00 C ATOM 1093 NE1 TRP A 75 6.758 -0.546 1.981 1.00 0.00 N ATOM 1094 CE2 TRP A 75 8.084 -0.456 1.659 1.00 0.00 C ATOM 1095 CE3 TRP A 75 9.717 -1.689 0.373 1.00 0.00 C ATOM 1096 CZ2 TRP A 75 9.030 0.498 2.023 1.00 0.00 C ATOM 1097 CZ3 TRP A 75 10.652 -0.739 0.738 1.00 0.00 C ATOM 1098 CH2 TRP A 75 10.305 0.342 1.557 1.00 0.00 C ATOM 0 H TRP A 75 5.232 -4.138 1.481 1.00 0.00 H new ATOM 0 HA TRP A 75 5.196 -3.074 -1.114 1.00 0.00 H new ATOM 0 HB2 TRP A 75 7.414 -4.436 0.472 1.00 0.00 H new ATOM 0 HB3 TRP A 75 7.677 -3.542 -1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 75 5.203 -1.986 1.490 1.00 0.00 H new ATOM 0 HE1 TRP A 75 6.244 0.115 2.564 1.00 0.00 H new ATOM 0 HE3 TRP A 75 9.995 -2.519 -0.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 8.765 1.334 2.653 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 11.668 -0.832 0.385 1.00 0.00 H new ATOM 0 HH2 TRP A 75 11.059 1.067 1.826 1.00 0.00 H new ATOM 1109 N LYS A 76 5.106 -6.286 -1.084 1.00 0.00 N ATOM 1110 CA LYS A 76 5.035 -7.500 -1.916 1.00 0.00 C ATOM 1111 C LYS A 76 3.766 -7.508 -2.790 1.00 0.00 C ATOM 1112 O LYS A 76 3.778 -8.036 -3.907 1.00 0.00 O ATOM 1113 CB LYS A 76 5.103 -8.779 -1.046 1.00 0.00 C ATOM 1114 CG LYS A 76 4.048 -8.874 0.061 1.00 0.00 C ATOM 1115 CD LYS A 76 3.510 -10.289 0.212 1.00 0.00 C ATOM 1116 CE LYS A 76 2.239 -10.311 1.048 1.00 0.00 C ATOM 1117 NZ LYS A 76 2.187 -11.494 1.951 1.00 0.00 N1+ ATOM 0 H LYS A 76 4.742 -6.405 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 76 5.901 -7.491 -2.578 1.00 0.00 H new ATOM 0 HB2 LYS A 76 5.002 -9.647 -1.697 1.00 0.00 H new ATOM 0 HB3 LYS A 76 6.091 -8.836 -0.589 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.483 -8.548 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 76 3.225 -8.195 -0.162 1.00 0.00 H new ATOM 0 HD2 LYS A 76 3.307 -10.710 -0.773 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.266 -10.920 0.679 1.00 0.00 H new ATOM 0 HE2 LYS A 76 2.179 -9.399 1.642 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.371 -10.320 0.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.306 -11.471 2.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 2.218 -12.365 1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 3.001 -11.473 2.598 1.00 0.00 H new ATOM 1131 N ASP A 77 2.684 -6.917 -2.263 1.00 0.00 N ATOM 1132 CA ASP A 77 1.400 -6.838 -2.970 1.00 0.00 C ATOM 1133 C ASP A 77 1.237 -5.501 -3.705 1.00 0.00 C ATOM 1134 O ASP A 77 0.206 -5.258 -4.344 1.00 0.00 O ATOM 1135 CB ASP A 77 0.248 -7.022 -1.976 1.00 0.00 C ATOM 1136 CG ASP A 77 -0.292 -8.439 -1.969 1.00 0.00 C ATOM 1137 OD1 ASP A 77 0.344 -9.313 -1.345 1.00 0.00 O1- ATOM 1138 OD2 ASP A 77 -1.352 -8.672 -2.587 1.00 0.00 O ATOM 0 H ASP A 77 2.675 -6.483 -1.340 1.00 0.00 H new ATOM 0 HA ASP A 77 1.381 -7.635 -3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 77 0.591 -6.763 -0.975 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -0.557 -6.331 -2.226 1.00 0.00 H new ATOM 1143 N ILE A 78 2.263 -4.649 -3.625 1.00 0.00 N ATOM 1144 CA ILE A 78 2.228 -3.330 -4.259 1.00 0.00 C ATOM 1145 C ILE A 78 3.012 -3.315 -5.578 1.00 0.00 C ATOM 1146 O ILE A 78 4.087 -3.912 -5.687 1.00 0.00 O ATOM 1147 CB ILE A 78 2.756 -2.229 -3.288 1.00 0.00 C ATOM 1148 CG1 ILE A 78 1.794 -2.099 -2.093 1.00 0.00 C ATOM 1149 CG2 ILE A 78 2.908 -0.878 -3.998 1.00 0.00 C ATOM 1150 CD1 ILE A 78 2.395 -1.445 -0.869 1.00 0.00 C ATOM 0 H ILE A 78 3.129 -4.851 -3.126 1.00 0.00 H new ATOM 0 HA ILE A 78 1.187 -3.109 -4.493 1.00 0.00 H new ATOM 0 HB ILE A 78 3.744 -2.526 -2.935 1.00 0.00 H new ATOM 0 HG12 ILE A 78 0.923 -1.523 -2.406 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.438 -3.092 -1.820 1.00 0.00 H new ATOM 0 HG21 ILE A 78 3.278 -0.135 -3.291 1.00 0.00 H new ATOM 0 HG22 ILE A 78 3.614 -0.978 -4.822 1.00 0.00 H new ATOM 0 HG23 ILE A 78 1.940 -0.560 -4.386 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.646 -1.396 -0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 78 3.248 -2.030 -0.525 1.00 0.00 H new ATOM 0 HD13 ILE A 78 2.725 -0.437 -1.120 1.00 0.00 H new ATOM 1162 N SER A 79 2.439 -2.620 -6.568 1.00 0.00 N ATOM 1163 CA SER A 79 3.040 -2.465 -7.891 1.00 0.00 C ATOM 1164 C SER A 79 2.991 -0.984 -8.311 1.00 0.00 C ATOM 1165 O SER A 79 1.905 -0.467 -8.587 1.00 0.00 O ATOM 1166 CB SER A 79 2.305 -3.336 -8.922 1.00 0.00 C ATOM 1167 OG SER A 79 3.219 -4.112 -9.678 1.00 0.00 O ATOM 0 H SER A 79 1.540 -2.148 -6.469 1.00 0.00 H new ATOM 0 HA SER A 79 4.079 -2.791 -7.848 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.601 -3.993 -8.412 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.723 -2.701 -9.590 1.00 0.00 H new ATOM 0 HG SER A 79 2.727 -4.659 -10.326 1.00 0.00 H new ATOM 1173 N PRO A 80 4.152 -0.251 -8.350 1.00 0.00 N ATOM 1174 CA PRO A 80 4.177 1.180 -8.745 1.00 0.00 C ATOM 1175 C PRO A 80 3.497 1.444 -10.095 1.00 0.00 C ATOM 1176 O PRO A 80 3.865 0.857 -11.117 1.00 0.00 O ATOM 1177 CB PRO A 80 5.674 1.502 -8.814 1.00 0.00 C ATOM 1178 CG PRO A 80 6.297 0.550 -7.857 1.00 0.00 C ATOM 1179 CD PRO A 80 5.512 -0.727 -7.990 1.00 0.00 C ATOM 0 HA PRO A 80 3.625 1.802 -8.041 1.00 0.00 H new ATOM 0 HB2 PRO A 80 6.065 1.366 -9.822 1.00 0.00 H new ATOM 0 HB3 PRO A 80 5.872 2.536 -8.533 1.00 0.00 H new ATOM 0 HG2 PRO A 80 7.349 0.390 -8.092 1.00 0.00 H new ATOM 0 HG3 PRO A 80 6.253 0.933 -6.838 1.00 0.00 H new ATOM 0 HD2 PRO A 80 5.928 -1.378 -8.759 1.00 0.00 H new ATOM 0 HD3 PRO A 80 5.507 -1.296 -7.060 1.00 0.00 H new ATOM 1187 N ALA A 81 2.492 2.331 -10.069 1.00 0.00 N ATOM 1188 CA ALA A 81 1.719 2.692 -11.262 1.00 0.00 C ATOM 1189 C ALA A 81 2.478 3.673 -12.161 1.00 0.00 C ATOM 1190 O ALA A 81 2.861 4.763 -11.722 1.00 0.00 O ATOM 1191 CB ALA A 81 0.376 3.281 -10.850 1.00 0.00 C ATOM 0 H ALA A 81 2.194 2.816 -9.222 1.00 0.00 H new ATOM 0 HA ALA A 81 1.555 1.783 -11.841 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.193 3.547 -11.741 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.181 2.546 -10.270 1.00 0.00 H new ATOM 0 HB3 ALA A 81 0.540 4.172 -10.245 1.00 0.00 H new