USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 850 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 81 GLN : amide:sc= -0.29 K(o=-0.33,f=1.5) USER MOD Set 1.2: A 122 TYR OH : rot 55:sc= 0.483 USER MOD Set 1.3: A 127 SER OG : rot 90:sc= -0.523 USER MOD Set 2.1: A 113 MET CE :methyl -121:sc= 0 (180deg=-0.0108) USER MOD Set 2.2: A 115 THR OG1 : rot 120:sc= 1.98 USER MOD Set 2.3: A 139 CYS SG : rot 71:sc= 1.19 USER MOD Set 3.1: A 93 CYS SG : rot -112:sc= 1.72 USER MOD Set 3.2: A 97 GLN : amide:sc= 0.907 K(o=2.6,f=3.4) USER MOD Set 4.1: A 67 THR OG1 : rot 38:sc= -0.306 USER MOD Set 4.2: A 146 THR OG1 : rot 180:sc= -0.184 USER MOD Set 5.1: A 42 ASN : amide:sc= -4.5! C(o=-3.4!,f=-6!) USER MOD Set 5.2: A 120 TYR OH : rot 50:sc= 1.07 USER MOD Single : A 47 LYS NZ :NH3+ 175:sc= -1.31! (180deg=-1.47!) USER MOD Single : A 48 LYS NZ :NH3+ -135:sc= -0.274 (180deg=-1.75!) USER MOD Single : A 49 THR OG1 : rot 52:sc= 0.08 USER MOD Single : A 57 SER OG : rot 74:sc= 1.26 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0191) USER MOD Single : A 64 GLN : amide:sc= -6.47! K(o=-6.5!,f=-0.82) USER MOD Single : A 69 HIS : no HE2:sc= -8.69! C(o=-8.7!,f=-9.8!) USER MOD Single : A 71 GLN : amide:sc= -6.67! C(o=-6.7!,f=-1.6!) USER MOD Single : A 72 THR OG1 : rot 180:sc= -0.492 USER MOD Single : A 73 SER OG : rot 160:sc= -0.576 USER MOD Single : A 76 ASN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot -171:sc= -1.89! USER MOD Single : A 106 MET CE :methyl -117:sc= -5.56! (180deg=-5.85!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.0262 USER MOD Single : A 118 SER OG : rot 179:sc= 0.0968 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 CYS SG : rot 124:sc= -1.94! USER MOD Single : A 125 GLN : amide:sc= -0.444 X(o=-0.44,f=-0.0098) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= 0.0763 K(o=0.076,f=-2.9!) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -159:sc= 2.07 (180deg=-0.267) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -8.032 1.804 2.418 1.00 0.53 N ATOM 490 CA TRP A 36 -7.076 2.900 2.432 1.00 0.45 C ATOM 491 C TRP A 36 -6.882 3.430 1.020 1.00 0.46 C ATOM 492 O TRP A 36 -7.614 3.066 0.097 1.00 0.52 O ATOM 493 CB TRP A 36 -5.709 2.453 2.970 1.00 0.38 C ATOM 494 CG TRP A 36 -5.757 1.336 3.972 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.686 1.139 4.950 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.810 0.269 4.098 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.392 -0.001 5.658 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.240 -0.550 5.160 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.645 -0.085 3.413 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.541 -1.687 5.549 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.963 -1.206 3.803 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.408 -1.998 4.857 1.00 0.19 C ATOM 0 HA TRP A 36 -7.477 3.674 3.086 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.089 2.141 2.130 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.217 3.311 3.428 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.530 1.785 5.140 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.942 -0.378 6.430 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.288 0.516 2.589 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.883 -2.301 6.369 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.059 -1.482 3.281 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.844 -2.877 5.133 1.00 0.19 H new ATOM 513 N LEU A 37 -5.872 4.266 0.855 1.00 0.43 N ATOM 514 CA LEU A 37 -5.537 4.810 -0.445 1.00 0.42 C ATOM 515 C LEU A 37 -4.896 3.738 -1.308 1.00 0.37 C ATOM 516 O LEU A 37 -3.778 3.298 -1.026 1.00 0.35 O ATOM 517 CB LEU A 37 -4.564 5.983 -0.291 1.00 0.45 C ATOM 518 CG LEU A 37 -4.149 6.663 -1.597 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.334 7.371 -2.231 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.012 7.643 -1.350 1.00 0.50 C ATOM 0 H LEU A 37 -5.267 4.583 1.612 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.453 5.160 -0.921 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.020 6.729 0.359 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.667 5.626 0.215 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.799 5.896 -2.287 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.019 7.849 -3.159 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.119 6.646 -2.445 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.715 8.127 -1.545 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.730 8.117 -2.290 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.336 8.405 -0.642 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.154 7.109 -0.941 1.00 0.50 H new ATOM 532 N ASP A 38 -5.606 3.294 -2.335 1.00 0.38 N ATOM 533 CA ASP A 38 -5.015 2.384 -3.296 1.00 0.41 C ATOM 534 C ASP A 38 -4.060 3.140 -4.201 1.00 0.39 C ATOM 535 O ASP A 38 -4.442 4.117 -4.850 1.00 0.44 O ATOM 536 CB ASP A 38 -6.060 1.647 -4.133 1.00 0.56 C ATOM 537 CG ASP A 38 -5.453 0.455 -4.838 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.767 0.649 -5.855 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.662 -0.683 -4.384 1.00 2.51 O ATOM 0 H ASP A 38 -6.577 3.546 -2.520 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.472 1.627 -2.730 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.877 1.316 -3.491 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.488 2.329 -4.868 1.00 0.56 H new ATOM 544 N ILE A 39 -2.822 2.672 -4.223 1.00 0.38 N ATOM 545 CA ILE A 39 -1.744 3.278 -4.986 1.00 0.38 C ATOM 546 C ILE A 39 -2.109 3.409 -6.459 1.00 0.39 C ATOM 547 O ILE A 39 -1.713 4.364 -7.133 1.00 0.46 O ATOM 548 CB ILE A 39 -0.466 2.427 -4.838 1.00 0.39 C ATOM 549 CG1 ILE A 39 -0.121 2.277 -3.350 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.696 3.023 -5.623 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.285 1.775 -3.077 1.00 0.43 C ATOM 0 H ILE A 39 -2.534 1.845 -3.701 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.570 4.280 -4.593 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.652 1.438 -5.257 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.250 3.243 -2.861 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.833 1.591 -2.892 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.580 2.398 -5.496 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.434 3.071 -6.680 1.00 0.41 H new ATOM 0 HG23 ILE A 39 0.906 4.027 -5.255 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.442 1.699 -2.001 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.416 0.794 -3.533 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.009 2.471 -3.501 1.00 0.43 H new ATOM 563 N LEU A 40 -2.883 2.458 -6.951 1.00 0.39 N ATOM 564 CA LEU A 40 -3.286 2.467 -8.345 1.00 0.49 C ATOM 565 C LEU A 40 -4.798 2.633 -8.458 1.00 0.49 C ATOM 566 O LEU A 40 -5.348 2.700 -9.557 1.00 0.62 O ATOM 567 CB LEU A 40 -2.837 1.175 -9.036 1.00 0.56 C ATOM 568 CG LEU A 40 -1.336 0.863 -8.947 1.00 0.59 C ATOM 569 CD1 LEU A 40 -1.020 -0.421 -9.700 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.512 2.024 -9.494 1.00 0.72 C ATOM 0 H LEU A 40 -3.243 1.673 -6.408 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.807 3.311 -8.841 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -3.390 0.341 -8.603 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -3.117 1.230 -10.088 1.00 0.56 H new ATOM 0 HG LEU A 40 -1.072 0.724 -7.899 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.047 -0.631 -9.629 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.582 -1.247 -9.263 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.299 -0.306 -10.748 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.549 1.783 -9.422 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.775 2.197 -10.538 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.720 2.923 -8.914 1.00 0.72 H new ATOM 582 N GLY A 41 -5.456 2.707 -7.304 1.00 0.43 N ATOM 583 CA GLY A 41 -6.902 2.740 -7.257 1.00 0.51 C ATOM 584 C GLY A 41 -7.493 1.459 -7.798 1.00 0.45 C ATOM 585 O GLY A 41 -8.642 1.428 -8.228 1.00 0.52 O ATOM 0 H GLY A 41 -5.003 2.745 -6.391 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -7.232 2.891 -6.229 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -7.269 3.587 -7.837 1.00 0.51 H new ATOM 589 N ASN A 42 -6.695 0.396 -7.765 1.00 0.39 N ATOM 590 CA ASN A 42 -7.082 -0.861 -8.391 1.00 0.42 C ATOM 591 C ASN A 42 -7.682 -1.856 -7.393 1.00 0.43 C ATOM 592 O ASN A 42 -8.337 -2.821 -7.795 1.00 0.56 O ATOM 593 CB ASN A 42 -5.917 -1.477 -9.188 1.00 0.49 C ATOM 594 CG ASN A 42 -4.772 -2.066 -8.370 1.00 0.55 C ATOM 595 OD1 ASN A 42 -4.074 -2.961 -8.848 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.555 -1.589 -7.153 1.00 0.44 N ATOM 0 H ASN A 42 -5.781 0.381 -7.313 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.875 -0.626 -9.101 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -6.319 -2.262 -9.828 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -5.508 -0.709 -9.844 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.794 -1.964 -6.587 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -5.149 -0.847 -6.783 1.00 0.44 H new ATOM 603 N GLY A 43 -7.455 -1.639 -6.103 1.00 0.40 N ATOM 604 CA GLY A 43 -8.219 -2.345 -5.094 1.00 0.50 C ATOM 605 C GLY A 43 -7.403 -3.292 -4.224 1.00 0.45 C ATOM 606 O GLY A 43 -7.877 -3.725 -3.172 1.00 0.72 O ATOM 0 H GLY A 43 -6.758 -0.989 -5.739 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.709 -1.614 -4.451 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -9.007 -2.914 -5.587 1.00 0.50 H new ATOM 610 N LEU A 44 -6.190 -3.623 -4.646 1.00 0.29 N ATOM 611 CA LEU A 44 -5.380 -4.603 -3.916 1.00 0.36 C ATOM 612 C LEU A 44 -4.051 -4.030 -3.423 1.00 0.25 C ATOM 613 O LEU A 44 -3.321 -4.699 -2.699 1.00 0.27 O ATOM 614 CB LEU A 44 -5.137 -5.884 -4.751 1.00 0.60 C ATOM 615 CG LEU A 44 -4.814 -5.728 -6.246 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.068 -5.443 -7.066 1.00 1.46 C ATOM 617 CD2 LEU A 44 -3.784 -4.644 -6.455 1.00 1.56 C ATOM 0 H LEU A 44 -5.745 -3.236 -5.478 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.964 -4.869 -3.035 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.316 -6.432 -4.289 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -6.025 -6.510 -4.666 1.00 0.60 H new ATOM 0 HG LEU A 44 -4.401 -6.675 -6.595 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -5.799 -5.339 -8.117 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -6.773 -6.267 -6.951 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.529 -4.519 -6.716 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -3.568 -4.548 -7.519 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -4.170 -3.698 -6.076 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -2.870 -4.903 -5.921 1.00 1.56 H new ATOM 629 N LEU A 45 -3.730 -2.816 -3.838 1.00 0.23 N ATOM 630 CA LEU A 45 -2.477 -2.178 -3.445 1.00 0.22 C ATOM 631 C LEU A 45 -2.748 -0.855 -2.728 1.00 0.22 C ATOM 632 O LEU A 45 -2.976 0.163 -3.366 1.00 0.32 O ATOM 633 CB LEU A 45 -1.596 -1.979 -4.683 1.00 0.30 C ATOM 634 CG LEU A 45 -0.363 -1.093 -4.490 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.511 -1.610 -3.361 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.435 -1.025 -5.775 1.00 0.31 C ATOM 0 H LEU A 45 -4.318 -2.249 -4.448 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.946 -2.822 -2.744 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -1.265 -2.958 -5.031 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -2.208 -1.549 -5.476 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.703 -0.092 -4.225 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.379 -0.961 -3.247 1.00 0.28 H new ATOM 0 HD12 LEU A 45 -0.061 -1.618 -2.433 1.00 0.28 H new ATOM 0 HD13 LEU A 45 0.842 -2.622 -3.592 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.310 -0.392 -5.627 1.00 0.31 H new ATOM 0 HD22 LEU A 45 0.756 -2.028 -6.057 1.00 0.31 H new ATOM 0 HD23 LEU A 45 -0.186 -0.606 -6.567 1.00 0.31 H new ATOM 648 N ARG A 46 -2.686 -0.866 -1.406 1.00 0.20 N ATOM 649 CA ARG A 46 -3.101 0.290 -0.609 1.00 0.22 C ATOM 650 C ARG A 46 -2.096 0.604 0.495 1.00 0.19 C ATOM 651 O ARG A 46 -1.598 -0.305 1.148 1.00 0.19 O ATOM 652 CB ARG A 46 -4.463 0.004 0.017 1.00 0.25 C ATOM 653 CG ARG A 46 -5.590 -0.041 -0.987 1.00 0.36 C ATOM 654 CD ARG A 46 -6.882 -0.532 -0.362 1.00 0.37 C ATOM 655 NE ARG A 46 -6.766 -1.921 0.080 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.528 -2.487 1.018 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.531 -1.813 1.571 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.292 -3.742 1.381 1.00 0.99 N ATOM 0 H ARG A 46 -2.353 -1.659 -0.858 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.157 1.155 -1.270 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.419 -0.949 0.544 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.680 0.770 0.761 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.744 0.954 -1.406 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.314 -0.696 -1.814 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.141 0.101 0.487 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.694 -0.445 -1.084 1.00 0.37 H new ATOM 0 HE ARG A 46 -6.051 -2.499 -0.361 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -8.724 -0.855 1.279 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.108 -2.254 2.287 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.533 -4.265 0.944 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -7.869 -4.183 2.097 1.00 0.99 H new ATOM 672 N LYS A 47 -1.825 1.890 0.717 1.00 0.20 N ATOM 673 CA LYS A 47 -0.879 2.322 1.746 1.00 0.17 C ATOM 674 C LYS A 47 -1.609 3.072 2.865 1.00 0.18 C ATOM 675 O LYS A 47 -2.287 4.067 2.610 1.00 0.22 O ATOM 676 CB LYS A 47 0.169 3.245 1.117 1.00 0.23 C ATOM 677 CG LYS A 47 1.432 3.389 1.942 1.00 0.25 C ATOM 678 CD LYS A 47 2.139 4.705 1.676 1.00 0.32 C ATOM 679 CE LYS A 47 1.455 5.867 2.403 1.00 0.20 C ATOM 680 NZ LYS A 47 2.397 6.978 2.733 1.00 0.35 N ATOM 0 H LYS A 47 -2.250 2.655 0.194 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.395 1.442 2.170 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.432 2.862 0.131 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.271 4.231 0.969 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.183 3.319 3.001 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.107 2.563 1.718 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.177 4.633 1.999 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.152 4.902 0.604 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.648 6.254 1.781 1.00 0.20 H new ATOM 0 HE3 LYS A 47 1.000 5.497 3.322 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.867 7.771 3.147 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 3.105 6.641 3.416 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 2.876 7.296 1.866 1.00 0.35 H new ATOM 694 N LYS A 48 -1.467 2.599 4.102 1.00 0.16 N ATOM 695 CA LYS A 48 -2.081 3.266 5.249 1.00 0.18 C ATOM 696 C LYS A 48 -1.025 3.900 6.151 1.00 0.17 C ATOM 697 O LYS A 48 -0.181 3.207 6.717 1.00 0.22 O ATOM 698 CB LYS A 48 -2.933 2.278 6.056 1.00 0.25 C ATOM 699 CG LYS A 48 -3.653 2.908 7.245 1.00 0.32 C ATOM 700 CD LYS A 48 -4.738 1.991 7.800 1.00 0.69 C ATOM 701 CE LYS A 48 -4.173 0.694 8.365 1.00 0.52 C ATOM 702 NZ LYS A 48 -3.405 0.916 9.615 1.00 1.07 N ATOM 0 H LYS A 48 -0.935 1.761 4.335 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.724 4.058 4.865 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.672 1.826 5.394 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.293 1.472 6.417 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.931 3.133 8.030 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.098 3.855 6.940 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -5.287 2.515 8.582 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -5.452 1.759 7.010 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -4.989 -0.001 8.561 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.527 0.227 7.622 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -2.515 0.379 9.576 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -3.193 1.929 9.717 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -3.967 0.596 10.429 1.00 1.07 H new ATOM 716 N THR A 49 -1.092 5.217 6.273 1.00 0.18 N ATOM 717 CA THR A 49 -0.186 5.974 7.119 1.00 0.20 C ATOM 718 C THR A 49 -0.516 5.798 8.594 1.00 0.21 C ATOM 719 O THR A 49 -1.441 6.420 9.120 1.00 0.29 O ATOM 720 CB THR A 49 -0.239 7.461 6.745 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.591 7.827 6.435 1.00 0.33 O ATOM 722 CG2 THR A 49 0.652 7.744 5.547 1.00 0.25 C ATOM 0 H THR A 49 -1.779 5.792 5.786 1.00 0.18 H new ATOM 0 HA THR A 49 0.821 5.591 6.954 1.00 0.20 H new ATOM 0 HB THR A 49 0.119 8.048 7.591 1.00 0.25 H new ATOM 0 HG1 THR A 49 -2.182 7.540 7.162 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.601 8.804 5.298 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.681 7.477 5.788 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.314 7.154 4.695 1.00 0.25 H new ATOM 730 N LEU A 50 0.226 4.915 9.249 1.00 0.18 N ATOM 731 CA LEU A 50 0.110 4.739 10.691 1.00 0.21 C ATOM 732 C LEU A 50 0.611 6.009 11.344 1.00 0.23 C ATOM 733 O LEU A 50 -0.054 6.637 12.165 1.00 0.28 O ATOM 734 CB LEU A 50 0.974 3.561 11.141 1.00 0.21 C ATOM 735 CG LEU A 50 0.971 2.362 10.197 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.107 1.420 10.541 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.360 1.644 10.262 1.00 0.24 C ATOM 0 H LEU A 50 0.915 4.309 8.804 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.924 4.538 10.970 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.000 3.908 11.261 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.632 3.233 12.122 1.00 0.21 H new ATOM 0 HG LEU A 50 1.118 2.718 9.177 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.093 0.569 9.860 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.057 1.946 10.446 1.00 0.21 H new ATOM 0 HD13 LEU A 50 1.989 1.067 11.565 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.347 0.791 9.583 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.536 1.295 11.280 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.157 2.328 9.970 1.00 0.24 H new ATOM 749 N VAL A 51 1.817 6.352 10.940 1.00 0.23 N ATOM 750 CA VAL A 51 2.426 7.628 11.224 1.00 0.27 C ATOM 751 C VAL A 51 3.030 8.106 9.939 1.00 0.24 C ATOM 752 O VAL A 51 3.817 7.381 9.357 1.00 0.23 O ATOM 753 CB VAL A 51 3.571 7.496 12.230 1.00 0.30 C ATOM 754 CG1 VAL A 51 4.130 8.858 12.606 1.00 0.36 C ATOM 755 CG2 VAL A 51 3.121 6.732 13.453 1.00 0.36 C ATOM 0 H VAL A 51 2.413 5.732 10.391 1.00 0.23 H new ATOM 0 HA VAL A 51 1.673 8.301 11.634 1.00 0.27 H new ATOM 0 HB VAL A 51 4.374 6.931 11.757 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.942 8.733 13.322 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.507 9.356 11.713 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.342 9.464 13.053 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.950 6.649 14.156 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.294 7.260 13.928 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.794 5.735 13.159 1.00 0.36 H new ATOM 765 N PRO A 52 2.663 9.277 9.451 1.00 0.29 N ATOM 766 CA PRO A 52 3.183 9.797 8.214 1.00 0.32 C ATOM 767 C PRO A 52 4.151 10.969 8.374 1.00 0.34 C ATOM 768 O PRO A 52 3.815 12.116 8.080 1.00 0.54 O ATOM 769 CB PRO A 52 1.893 10.210 7.530 1.00 0.41 C ATOM 770 CG PRO A 52 0.913 10.494 8.646 1.00 0.46 C ATOM 771 CD PRO A 52 1.609 10.142 9.942 1.00 0.37 C ATOM 0 HA PRO A 52 3.796 9.079 7.670 1.00 0.32 H new ATOM 0 HB2 PRO A 52 2.044 11.092 6.908 1.00 0.41 H new ATOM 0 HB3 PRO A 52 1.525 9.419 6.877 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.615 11.542 8.640 1.00 0.46 H new ATOM 0 HG3 PRO A 52 0.005 9.903 8.522 1.00 0.46 H new ATOM 0 HD2 PRO A 52 2.000 11.021 10.455 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.947 9.632 10.642 1.00 0.37 H new ATOM 779 N GLY A 53 5.346 10.659 8.860 1.00 0.24 N ATOM 780 CA GLY A 53 6.427 11.621 8.860 1.00 0.28 C ATOM 781 C GLY A 53 6.366 12.606 10.006 1.00 0.29 C ATOM 782 O GLY A 53 5.286 13.055 10.396 1.00 0.55 O ATOM 0 H GLY A 53 5.585 9.750 9.257 1.00 0.24 H new ATOM 0 HA2 GLY A 53 7.376 11.087 8.902 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.412 12.171 7.919 1.00 0.28 H new ATOM 821 N SER A 57 8.885 16.572 6.965 1.00 0.52 N ATOM 822 CA SER A 57 9.504 15.449 6.311 1.00 0.40 C ATOM 823 C SER A 57 9.641 15.708 4.810 1.00 0.34 C ATOM 824 O SER A 57 9.515 16.844 4.349 1.00 0.43 O ATOM 825 CB SER A 57 8.660 14.208 6.574 1.00 0.40 C ATOM 826 OG SER A 57 7.278 14.516 6.517 1.00 0.99 O ATOM 0 HA SER A 57 10.507 15.297 6.709 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.896 13.440 5.838 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.905 13.797 7.553 1.00 0.40 H new ATOM 0 HG SER A 57 7.011 14.652 5.584 1.00 0.99 H new ATOM 832 N SER A 58 9.912 14.652 4.059 1.00 0.28 N ATOM 833 CA SER A 58 10.040 14.737 2.621 1.00 0.30 C ATOM 834 C SER A 58 9.823 13.358 2.034 1.00 0.27 C ATOM 835 O SER A 58 10.205 12.366 2.648 1.00 0.38 O ATOM 836 CB SER A 58 11.429 15.258 2.236 1.00 0.38 C ATOM 837 OG SER A 58 11.548 15.413 0.833 1.00 1.28 O ATOM 0 H SER A 58 10.049 13.713 4.434 1.00 0.28 H new ATOM 0 HA SER A 58 9.296 15.431 2.229 1.00 0.30 H new ATOM 0 HB2 SER A 58 11.610 16.214 2.727 1.00 0.38 H new ATOM 0 HB3 SER A 58 12.192 14.566 2.594 1.00 0.38 H new ATOM 0 HG SER A 58 12.443 15.748 0.616 1.00 1.28 H new ATOM 843 N ARG A 59 9.206 13.284 0.870 1.00 0.32 N ATOM 844 CA ARG A 59 8.986 11.998 0.227 1.00 0.30 C ATOM 845 C ARG A 59 10.119 11.714 -0.753 1.00 0.27 C ATOM 846 O ARG A 59 10.263 12.409 -1.765 1.00 0.34 O ATOM 847 CB ARG A 59 7.630 11.965 -0.484 1.00 0.42 C ATOM 848 CG ARG A 59 6.472 12.362 0.417 1.00 0.64 C ATOM 849 CD ARG A 59 5.126 11.997 -0.193 1.00 0.68 C ATOM 850 NE ARG A 59 4.941 12.564 -1.535 1.00 1.41 N ATOM 851 CZ ARG A 59 4.040 12.119 -2.415 1.00 1.81 C ATOM 852 NH1 ARG A 59 3.186 11.158 -2.073 1.00 1.78 N ATOM 853 NH2 ARG A 59 3.980 12.651 -3.632 1.00 2.81 N ATOM 0 H ARG A 59 8.851 14.088 0.353 1.00 0.32 H new ATOM 0 HA ARG A 59 8.976 11.221 0.991 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.661 12.636 -1.342 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.454 10.961 -0.870 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.578 11.869 1.383 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.508 13.436 0.602 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.038 10.912 -0.246 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.328 12.350 0.460 1.00 0.68 H new ATOM 0 HE ARG A 59 5.536 13.345 -1.812 1.00 1.41 H new ATOM 0 HH11 ARG A 59 3.217 10.758 -1.135 1.00 1.78 H new ATOM 0 HH12 ARG A 59 2.500 10.821 -2.748 1.00 1.78 H new ATOM 0 HH21 ARG A 59 4.622 13.399 -3.894 1.00 2.81 H new ATOM 0 HH22 ARG A 59 3.292 12.311 -4.304 1.00 2.81 H new ATOM 867 N PRO A 60 10.962 10.714 -0.437 1.00 0.23 N ATOM 868 CA PRO A 60 12.130 10.346 -1.248 1.00 0.26 C ATOM 869 C PRO A 60 11.814 10.161 -2.725 1.00 0.26 C ATOM 870 O PRO A 60 10.713 9.757 -3.100 1.00 0.28 O ATOM 871 CB PRO A 60 12.595 9.013 -0.640 1.00 0.30 C ATOM 872 CG PRO A 60 11.498 8.593 0.279 1.00 0.28 C ATOM 873 CD PRO A 60 10.863 9.861 0.753 1.00 0.21 C ATOM 0 HA PRO A 60 12.880 11.137 -1.223 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.766 8.266 -1.415 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.535 9.134 -0.101 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.775 7.961 -0.237 1.00 0.28 H new ATOM 0 HG3 PRO A 60 11.888 8.013 1.116 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.829 9.709 1.061 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.391 10.288 1.606 1.00 0.21 H new ATOM 881 N VAL A 61 12.803 10.452 -3.558 1.00 0.29 N ATOM 882 CA VAL A 61 12.649 10.340 -4.994 1.00 0.31 C ATOM 883 C VAL A 61 13.188 8.996 -5.460 1.00 0.28 C ATOM 884 O VAL A 61 14.050 8.402 -4.813 1.00 0.27 O ATOM 885 CB VAL A 61 13.394 11.476 -5.737 1.00 0.40 C ATOM 886 CG1 VAL A 61 13.051 11.475 -7.218 1.00 0.81 C ATOM 887 CG2 VAL A 61 13.078 12.828 -5.113 1.00 0.88 C ATOM 0 H VAL A 61 13.725 10.769 -3.257 1.00 0.29 H new ATOM 0 HA VAL A 61 11.587 10.422 -5.225 1.00 0.31 H new ATOM 0 HB VAL A 61 14.464 11.296 -5.638 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.587 12.283 -7.716 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.341 10.521 -7.658 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.978 11.621 -7.343 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.612 13.611 -5.651 1.00 0.88 H new ATOM 0 HG22 VAL A 61 12.006 13.014 -5.172 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.389 12.828 -4.068 1.00 0.88 H new ATOM 897 N LYS A 62 12.666 8.502 -6.558 1.00 0.27 N ATOM 898 CA LYS A 62 13.173 7.276 -7.143 1.00 0.27 C ATOM 899 C LYS A 62 14.562 7.523 -7.693 1.00 0.25 C ATOM 900 O LYS A 62 14.768 8.366 -8.564 1.00 0.31 O ATOM 901 CB LYS A 62 12.230 6.775 -8.231 1.00 0.30 C ATOM 902 CG LYS A 62 10.887 6.291 -7.701 1.00 0.37 C ATOM 903 CD LYS A 62 9.963 5.902 -8.840 1.00 0.41 C ATOM 904 CE LYS A 62 8.591 5.480 -8.342 1.00 0.60 C ATOM 905 NZ LYS A 62 7.716 5.069 -9.469 1.00 1.17 N ATOM 0 H LYS A 62 11.891 8.927 -7.066 1.00 0.27 H new ATOM 0 HA LYS A 62 13.231 6.503 -6.377 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.060 7.577 -8.949 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.713 5.960 -8.771 1.00 0.30 H new ATOM 0 HG2 LYS A 62 11.038 5.436 -7.042 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.423 7.076 -7.103 1.00 0.37 H new ATOM 0 HD2 LYS A 62 9.857 6.744 -9.524 1.00 0.41 H new ATOM 0 HD3 LYS A 62 10.410 5.085 -9.406 1.00 0.41 H new ATOM 0 HE2 LYS A 62 8.694 4.654 -7.638 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.128 6.305 -7.800 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 6.770 4.834 -9.106 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 7.641 5.849 -10.153 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.123 4.235 -9.938 1.00 1.17 H new ATOM 919 N GLY A 63 15.506 6.782 -7.153 1.00 0.25 N ATOM 920 CA GLY A 63 16.901 7.025 -7.408 1.00 0.27 C ATOM 921 C GLY A 63 17.658 7.076 -6.105 1.00 0.30 C ATOM 922 O GLY A 63 18.839 6.751 -6.034 1.00 0.42 O ATOM 0 H GLY A 63 15.324 5.997 -6.527 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.306 6.238 -8.044 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.023 7.965 -7.947 1.00 0.27 H new ATOM 926 N GLN A 64 16.962 7.481 -5.055 1.00 0.26 N ATOM 927 CA GLN A 64 17.561 7.518 -3.738 1.00 0.28 C ATOM 928 C GLN A 64 17.498 6.130 -3.139 1.00 0.24 C ATOM 929 O GLN A 64 16.497 5.427 -3.307 1.00 0.24 O ATOM 930 CB GLN A 64 16.843 8.507 -2.805 1.00 0.30 C ATOM 931 CG GLN A 64 16.249 9.754 -3.468 1.00 0.36 C ATOM 932 CD GLN A 64 17.240 10.634 -4.210 1.00 0.44 C ATOM 933 OE1 GLN A 64 17.088 11.855 -4.230 1.00 0.59 O ATOM 934 NE2 GLN A 64 18.209 10.037 -4.877 1.00 0.43 N ATOM 0 H GLN A 64 15.989 7.786 -5.091 1.00 0.26 H new ATOM 0 HA GLN A 64 18.593 7.853 -3.842 1.00 0.28 H new ATOM 0 HB2 GLN A 64 16.040 7.975 -2.295 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.549 8.829 -2.039 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.475 9.439 -4.168 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.760 10.354 -2.701 1.00 0.36 H new ATOM 0 HE21 GLN A 64 18.305 9.022 -4.838 1.00 0.43 H new ATOM 0 HE22 GLN A 64 18.862 10.590 -5.432 1.00 0.43 H new ATOM 943 N VAL A 65 18.558 5.713 -2.470 1.00 0.28 N ATOM 944 CA VAL A 65 18.512 4.457 -1.760 1.00 0.31 C ATOM 945 C VAL A 65 17.990 4.728 -0.358 1.00 0.25 C ATOM 946 O VAL A 65 18.473 5.616 0.350 1.00 0.32 O ATOM 947 CB VAL A 65 19.868 3.693 -1.735 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.509 3.682 -3.113 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.825 4.240 -0.691 1.00 1.05 C ATOM 0 H VAL A 65 19.442 6.217 -2.406 1.00 0.28 H new ATOM 0 HA VAL A 65 17.840 3.787 -2.296 1.00 0.31 H new ATOM 0 HB VAL A 65 19.647 2.665 -1.449 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.455 3.142 -3.070 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.842 3.189 -3.821 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.690 4.706 -3.438 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.755 3.671 -0.716 1.00 1.05 H new ATOM 0 HG22 VAL A 65 21.035 5.288 -0.904 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.373 4.154 0.297 1.00 1.05 H new ATOM 959 N VAL A 66 16.953 4.017 0.006 1.00 0.19 N ATOM 960 CA VAL A 66 16.246 4.294 1.238 1.00 0.15 C ATOM 961 C VAL A 66 16.169 3.066 2.121 1.00 0.16 C ATOM 962 O VAL A 66 16.044 1.945 1.633 1.00 0.21 O ATOM 963 CB VAL A 66 14.820 4.811 0.950 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.860 6.106 0.156 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.009 3.787 0.178 1.00 0.25 C ATOM 0 H VAL A 66 16.576 3.238 -0.534 1.00 0.19 H new ATOM 0 HA VAL A 66 16.808 5.066 1.764 1.00 0.15 H new ATOM 0 HB VAL A 66 14.346 4.991 1.915 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.843 6.448 -0.033 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.398 6.865 0.724 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.368 5.935 -0.793 1.00 0.18 H new ATOM 0 HG21 VAL A 66 13.010 4.180 -0.009 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.500 3.575 -0.772 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.934 2.868 0.760 1.00 0.25 H new ATOM 975 N THR A 67 16.271 3.293 3.418 1.00 0.13 N ATOM 976 CA THR A 67 16.170 2.230 4.388 1.00 0.15 C ATOM 977 C THR A 67 14.724 2.047 4.819 1.00 0.16 C ATOM 978 O THR A 67 14.131 2.929 5.452 1.00 0.21 O ATOM 979 CB THR A 67 17.025 2.512 5.643 1.00 0.20 C ATOM 980 OG1 THR A 67 16.555 3.679 6.322 1.00 0.29 O ATOM 981 CG2 THR A 67 18.488 2.709 5.295 1.00 0.27 C ATOM 0 H THR A 67 16.425 4.217 3.822 1.00 0.13 H new ATOM 0 HA THR A 67 16.541 1.325 3.908 1.00 0.15 H new ATOM 0 HB THR A 67 16.931 1.640 6.290 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.576 3.710 6.281 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.055 2.905 6.205 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.872 1.809 4.815 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.590 3.555 4.615 1.00 0.27 H new ATOM 989 N VAL A 68 14.146 0.921 4.468 1.00 0.15 N ATOM 990 CA VAL A 68 12.833 0.595 4.969 1.00 0.15 C ATOM 991 C VAL A 68 12.909 -0.577 5.920 1.00 0.15 C ATOM 992 O VAL A 68 13.664 -1.512 5.712 1.00 0.17 O ATOM 993 CB VAL A 68 11.818 0.265 3.852 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.506 1.502 3.030 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.339 -0.853 2.960 1.00 0.19 C ATOM 0 H VAL A 68 14.558 0.225 3.846 1.00 0.15 H new ATOM 0 HA VAL A 68 12.478 1.487 5.485 1.00 0.15 H new ATOM 0 HB VAL A 68 10.896 -0.077 4.322 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.789 1.248 2.249 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.082 2.271 3.676 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.422 1.877 2.574 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.607 -1.068 2.181 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.278 -0.544 2.501 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.505 -1.749 3.559 1.00 0.19 H new ATOM 1005 N HIS A 69 12.138 -0.522 6.970 1.00 0.14 N ATOM 1006 CA HIS A 69 11.961 -1.684 7.804 1.00 0.15 C ATOM 1007 C HIS A 69 10.627 -2.282 7.442 1.00 0.14 C ATOM 1008 O HIS A 69 9.605 -1.636 7.605 1.00 0.15 O ATOM 1009 CB HIS A 69 11.984 -1.338 9.308 1.00 0.15 C ATOM 1010 CG HIS A 69 11.696 -2.534 10.192 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.166 -2.692 11.477 1.00 0.19 N ATOM 1012 CD2 HIS A 69 10.966 -3.643 9.942 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.731 -3.854 11.957 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.011 -4.435 11.044 1.00 0.18 N ATOM 0 H HIS A 69 11.624 0.307 7.269 1.00 0.14 H new ATOM 0 HA HIS A 69 12.783 -2.380 7.633 1.00 0.15 H new ATOM 0 HB2 HIS A 69 12.960 -0.928 9.567 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.248 -0.559 9.508 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.753 -2.026 11.979 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.439 -3.862 9.025 1.00 0.18 H new ATOM 0 HE1 HIS A 69 11.941 -4.248 12.940 1.00 0.18 H new ATOM 1023 N LEU A 70 10.619 -3.511 6.972 1.00 0.15 N ATOM 1024 CA LEU A 70 9.356 -4.127 6.665 1.00 0.16 C ATOM 1025 C LEU A 70 9.196 -5.445 7.392 1.00 0.15 C ATOM 1026 O LEU A 70 10.111 -6.259 7.470 1.00 0.21 O ATOM 1027 CB LEU A 70 9.123 -4.306 5.158 1.00 0.21 C ATOM 1028 CG LEU A 70 9.450 -5.683 4.577 1.00 0.31 C ATOM 1029 CD1 LEU A 70 8.832 -5.836 3.192 1.00 0.39 C ATOM 1030 CD2 LEU A 70 10.951 -5.886 4.495 1.00 0.38 C ATOM 0 H LEU A 70 11.445 -4.084 6.800 1.00 0.15 H new ATOM 0 HA LEU A 70 8.590 -3.437 7.020 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.077 -4.085 4.946 1.00 0.21 H new ATOM 0 HB3 LEU A 70 9.719 -3.562 4.630 1.00 0.21 H new ATOM 0 HG LEU A 70 9.029 -6.440 5.239 1.00 0.31 H new ATOM 0 HD11 LEU A 70 9.074 -6.821 2.792 1.00 0.39 H new ATOM 0 HD12 LEU A 70 7.750 -5.729 3.263 1.00 0.39 H new ATOM 0 HD13 LEU A 70 9.230 -5.068 2.529 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.163 -6.871 4.079 1.00 0.38 H new ATOM 0 HD22 LEU A 70 11.387 -5.120 3.854 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.383 -5.813 5.493 1.00 0.38 H new ATOM 1042 N GLN A 71 8.039 -5.602 7.974 1.00 0.13 N ATOM 1043 CA GLN A 71 7.607 -6.871 8.515 1.00 0.14 C ATOM 1044 C GLN A 71 6.288 -7.162 7.883 1.00 0.14 C ATOM 1045 O GLN A 71 5.314 -6.426 8.069 1.00 0.14 O ATOM 1046 CB GLN A 71 7.440 -6.859 10.025 1.00 0.15 C ATOM 1047 CG GLN A 71 8.353 -5.896 10.744 1.00 0.15 C ATOM 1048 CD GLN A 71 7.730 -4.539 10.952 1.00 0.16 C ATOM 1049 OE1 GLN A 71 8.085 -3.825 11.888 1.00 0.27 O ATOM 1050 NE2 GLN A 71 6.780 -4.193 10.107 1.00 0.18 N ATOM 0 H GLN A 71 7.360 -4.849 8.089 1.00 0.13 H new ATOM 0 HA GLN A 71 8.365 -7.624 8.301 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.406 -6.607 10.262 1.00 0.15 H new ATOM 0 HB3 GLN A 71 7.619 -7.864 10.406 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.626 -6.317 11.712 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.275 -5.783 10.174 1.00 0.15 H new ATOM 0 HE21 GLN A 71 6.521 -4.821 9.346 1.00 0.18 H new ATOM 0 HE22 GLN A 71 6.304 -3.298 10.214 1.00 0.18 H new ATOM 1059 N THR A 72 6.271 -8.198 7.116 1.00 0.15 N ATOM 1060 CA THR A 72 5.169 -8.460 6.258 1.00 0.16 C ATOM 1061 C THR A 72 4.332 -9.611 6.764 1.00 0.16 C ATOM 1062 O THR A 72 4.848 -10.688 7.060 1.00 0.17 O ATOM 1063 CB THR A 72 5.690 -8.772 4.869 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.518 -7.700 4.420 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.552 -8.989 3.909 1.00 0.19 C ATOM 0 H THR A 72 7.021 -8.887 7.067 1.00 0.15 H new ATOM 0 HA THR A 72 4.532 -7.576 6.233 1.00 0.16 H new ATOM 0 HB THR A 72 6.277 -9.690 4.910 1.00 0.17 H new ATOM 0 HG1 THR A 72 6.857 -7.902 3.523 1.00 0.19 H new ATOM 0 HG21 THR A 72 4.949 -9.211 2.919 1.00 0.19 H new ATOM 0 HG22 THR A 72 3.942 -9.825 4.251 1.00 0.19 H new ATOM 0 HG23 THR A 72 3.940 -8.088 3.861 1.00 0.19 H new ATOM 1073 N SER A 73 3.043 -9.371 6.847 1.00 0.17 N ATOM 1074 CA SER A 73 2.099 -10.375 7.262 1.00 0.17 C ATOM 1075 C SER A 73 1.346 -10.881 6.049 1.00 0.15 C ATOM 1076 O SER A 73 1.247 -10.197 5.033 1.00 0.26 O ATOM 1077 CB SER A 73 1.107 -9.784 8.270 1.00 0.23 C ATOM 1078 OG SER A 73 1.721 -8.792 9.075 1.00 1.06 O ATOM 0 H SER A 73 2.621 -8.469 6.627 1.00 0.17 H new ATOM 0 HA SER A 73 2.635 -11.197 7.736 1.00 0.17 H new ATOM 0 HB2 SER A 73 0.260 -9.351 7.739 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.713 -10.578 8.905 1.00 0.23 H new ATOM 0 HG SER A 73 1.032 -8.218 9.470 1.00 1.06 H new ATOM 1084 N LEU A 74 0.846 -12.085 6.159 1.00 0.19 N ATOM 1085 CA LEU A 74 0.036 -12.677 5.123 1.00 0.18 C ATOM 1086 C LEU A 74 -1.397 -12.220 5.255 1.00 0.19 C ATOM 1087 O LEU A 74 -1.777 -11.651 6.273 1.00 0.21 O ATOM 1088 CB LEU A 74 0.110 -14.199 5.204 1.00 0.22 C ATOM 1089 CG LEU A 74 1.452 -14.798 4.798 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.298 -16.267 4.438 1.00 0.84 C ATOM 1091 CD2 LEU A 74 2.053 -14.012 3.646 1.00 0.72 C ATOM 0 H LEU A 74 0.989 -12.685 6.971 1.00 0.19 H new ATOM 0 HA LEU A 74 0.418 -12.356 4.154 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.114 -14.505 6.226 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.667 -14.621 4.567 1.00 0.22 H new ATOM 0 HG LEU A 74 2.133 -14.733 5.646 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.267 -16.675 4.151 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.914 -16.814 5.299 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.602 -16.366 3.605 1.00 0.84 H new ATOM 0 HD21 LEU A 74 3.011 -14.451 3.367 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.377 -14.044 2.792 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.204 -12.977 3.951 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.179 -12.458 4.217 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.615 -12.221 4.256 1.00 0.26 C ATOM 1105 C GLU A 75 -4.261 -12.960 5.435 1.00 0.32 C ATOM 1106 O GLU A 75 -5.369 -12.636 5.858 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.242 -12.687 2.945 1.00 0.30 C ATOM 1108 CG GLU A 75 -3.804 -14.080 2.525 1.00 0.34 C ATOM 1109 CD GLU A 75 -4.424 -14.512 1.216 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.175 -13.848 0.191 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -5.166 -15.514 1.207 1.00 1.14 O ATOM 0 H GLU A 75 -1.840 -12.820 3.325 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.789 -11.153 4.388 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.327 -12.671 3.045 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -3.984 -11.980 2.156 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -2.718 -14.104 2.434 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.075 -14.793 3.304 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.545 -13.961 5.949 1.00 0.34 N ATOM 1119 CA ASN A 76 -4.013 -14.761 7.079 1.00 0.41 C ATOM 1120 C ASN A 76 -3.534 -14.168 8.404 1.00 0.39 C ATOM 1121 O ASN A 76 -3.862 -14.675 9.475 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.509 -16.207 6.960 1.00 0.50 C ATOM 1123 CG ASN A 76 -3.863 -16.843 5.628 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -4.946 -17.397 5.458 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -2.936 -16.794 4.680 1.00 1.13 N ATOM 0 H ASN A 76 -2.629 -14.238 5.595 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.103 -14.754 7.061 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.427 -16.222 7.089 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -3.934 -16.803 7.767 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.111 -17.226 3.773 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.048 -16.325 4.859 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.736 -13.106 8.321 1.00 0.30 N ATOM 1133 CA GLY A 77 -2.217 -12.455 9.514 1.00 0.32 C ATOM 1134 C GLY A 77 -0.879 -13.018 9.937 1.00 0.32 C ATOM 1135 O GLY A 77 -0.374 -12.710 11.016 1.00 0.51 O ATOM 0 H GLY A 77 -2.438 -12.682 7.443 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -2.117 -11.386 9.328 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.932 -12.571 10.329 1.00 0.32 H new ATOM 1139 N THR A 78 -0.297 -13.835 9.074 1.00 0.28 N ATOM 1140 CA THR A 78 0.941 -14.525 9.387 1.00 0.28 C ATOM 1141 C THR A 78 2.148 -13.768 8.858 1.00 0.23 C ATOM 1142 O THR A 78 2.337 -13.656 7.652 1.00 0.21 O ATOM 1143 CB THR A 78 0.927 -15.947 8.804 1.00 0.34 C ATOM 1144 OG1 THR A 78 -0.310 -16.582 9.139 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.089 -16.769 9.341 1.00 0.39 C ATOM 0 H THR A 78 -0.667 -14.037 8.145 1.00 0.28 H new ATOM 0 HA THR A 78 1.019 -14.581 10.473 1.00 0.28 H new ATOM 0 HB THR A 78 1.030 -15.881 7.721 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.323 -17.489 8.767 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.055 -17.771 8.912 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.030 -16.290 9.070 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.016 -16.836 10.426 1.00 0.39 H new ATOM 1153 N ARG A 79 2.954 -13.236 9.763 1.00 0.24 N ATOM 1154 CA ARG A 79 4.144 -12.498 9.369 1.00 0.22 C ATOM 1155 C ARG A 79 5.224 -13.445 8.889 1.00 0.24 C ATOM 1156 O ARG A 79 5.683 -14.324 9.622 1.00 0.33 O ATOM 1157 CB ARG A 79 4.637 -11.615 10.499 1.00 0.25 C ATOM 1158 CG ARG A 79 3.672 -10.489 10.784 1.00 0.25 C ATOM 1159 CD ARG A 79 4.402 -9.194 11.085 1.00 0.28 C ATOM 1160 NE ARG A 79 3.485 -8.059 11.179 1.00 0.33 N ATOM 1161 CZ ARG A 79 3.770 -6.915 11.800 1.00 0.38 C ATOM 1162 NH1 ARG A 79 4.955 -6.745 12.372 1.00 0.42 N ATOM 1163 NH2 ARG A 79 2.868 -5.938 11.834 1.00 0.47 N ATOM 0 H ARG A 79 2.807 -13.301 10.770 1.00 0.24 H new ATOM 0 HA ARG A 79 3.882 -11.843 8.538 1.00 0.22 H new ATOM 0 HB2 ARG A 79 4.773 -12.216 11.398 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.612 -11.203 10.241 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.014 -10.346 9.927 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.039 -10.756 11.630 1.00 0.25 H new ATOM 0 HD2 ARG A 79 4.950 -9.296 12.021 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.138 -9.002 10.304 1.00 0.28 H new ATOM 0 HE ARG A 79 2.568 -8.149 10.741 1.00 0.33 H new ATOM 0 HH11 ARG A 79 5.650 -7.491 12.337 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.171 -5.868 12.847 1.00 0.42 H new ATOM 0 HH21 ARG A 79 1.961 -6.066 11.385 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.083 -5.061 12.309 1.00 0.47 H new ATOM 1177 N VAL A 80 5.613 -13.249 7.644 1.00 0.20 N ATOM 1178 CA VAL A 80 6.459 -14.188 6.936 1.00 0.22 C ATOM 1179 C VAL A 80 7.868 -13.655 6.734 1.00 0.21 C ATOM 1180 O VAL A 80 8.765 -14.386 6.321 1.00 0.27 O ATOM 1181 CB VAL A 80 5.844 -14.515 5.569 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.534 -15.254 5.754 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.632 -13.246 4.748 1.00 0.22 C ATOM 0 H VAL A 80 5.350 -12.431 7.094 1.00 0.20 H new ATOM 0 HA VAL A 80 6.525 -15.087 7.548 1.00 0.22 H new ATOM 0 HB VAL A 80 6.537 -15.155 5.023 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.104 -15.482 4.779 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.713 -16.182 6.298 1.00 0.26 H new ATOM 0 HG13 VAL A 80 3.841 -14.630 6.319 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.195 -13.505 3.784 1.00 0.22 H new ATOM 0 HG22 VAL A 80 4.959 -12.575 5.282 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.590 -12.750 4.591 1.00 0.22 H new ATOM 1193 N GLN A 81 8.056 -12.379 7.014 1.00 0.18 N ATOM 1194 CA GLN A 81 9.338 -11.741 6.792 1.00 0.19 C ATOM 1195 C GLN A 81 9.440 -10.478 7.628 1.00 0.19 C ATOM 1196 O GLN A 81 8.557 -9.625 7.583 1.00 0.26 O ATOM 1197 CB GLN A 81 9.508 -11.425 5.298 1.00 0.23 C ATOM 1198 CG GLN A 81 8.420 -10.525 4.729 1.00 0.23 C ATOM 1199 CD GLN A 81 8.451 -10.435 3.216 1.00 0.37 C ATOM 1200 OE1 GLN A 81 9.128 -9.588 2.639 1.00 0.59 O ATOM 1201 NE2 GLN A 81 7.699 -11.310 2.560 1.00 0.50 N ATOM 0 H GLN A 81 7.337 -11.765 7.396 1.00 0.18 H new ATOM 0 HA GLN A 81 10.138 -12.417 7.096 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.476 -10.948 5.146 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.521 -12.360 4.738 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.446 -10.899 5.045 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.528 -9.525 5.148 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.151 -11.999 3.075 1.00 0.50 H new ATOM 0 HE22 GLN A 81 7.670 -11.294 1.541 1.00 0.50 H new ATOM 1210 N GLU A 82 10.491 -10.380 8.427 1.00 0.24 N ATOM 1211 CA GLU A 82 10.743 -9.168 9.186 1.00 0.24 C ATOM 1212 C GLU A 82 12.164 -8.700 8.956 1.00 0.25 C ATOM 1213 O GLU A 82 13.123 -9.309 9.423 1.00 0.41 O ATOM 1214 CB GLU A 82 10.488 -9.357 10.681 1.00 0.35 C ATOM 1215 CG GLU A 82 10.711 -8.075 11.470 1.00 0.44 C ATOM 1216 CD GLU A 82 10.181 -8.135 12.885 1.00 0.82 C ATOM 1217 OE1 GLU A 82 9.424 -9.081 13.193 1.00 1.21 O ATOM 1218 OE2 GLU A 82 10.551 -7.269 13.698 1.00 1.34 O ATOM 0 H GLU A 82 11.179 -11.121 8.565 1.00 0.24 H new ATOM 0 HA GLU A 82 10.044 -8.410 8.832 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.465 -9.701 10.832 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.147 -10.136 11.064 1.00 0.35 H new ATOM 0 HG2 GLU A 82 11.779 -7.858 11.500 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.232 -7.248 10.946 1.00 0.44 H new ATOM 1225 N GLU A 83 12.278 -7.621 8.220 1.00 0.22 N ATOM 1226 CA GLU A 83 13.558 -7.059 7.866 1.00 0.26 C ATOM 1227 C GLU A 83 13.673 -5.644 8.414 1.00 0.23 C ATOM 1228 O GLU A 83 12.956 -4.735 7.990 1.00 0.24 O ATOM 1229 CB GLU A 83 13.710 -7.107 6.339 1.00 0.39 C ATOM 1230 CG GLU A 83 14.701 -6.118 5.767 1.00 1.20 C ATOM 1231 CD GLU A 83 16.125 -6.432 6.161 1.00 1.73 C ATOM 1232 OE1 GLU A 83 16.786 -7.203 5.434 1.00 1.69 O ATOM 1233 OE2 GLU A 83 16.588 -5.917 7.193 1.00 2.59 O ATOM 0 H GLU A 83 11.480 -7.105 7.848 1.00 0.22 H new ATOM 0 HA GLU A 83 14.369 -7.638 8.308 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.015 -8.113 6.050 1.00 0.39 H new ATOM 0 HB3 GLU A 83 12.735 -6.926 5.885 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.620 -6.115 4.680 1.00 1.20 H new ATOM 0 HG3 GLU A 83 14.446 -5.115 6.108 1.00 1.20 H new ATOM 1240 N PRO A 84 14.561 -5.460 9.401 1.00 0.23 N ATOM 1241 CA PRO A 84 14.734 -4.185 10.095 1.00 0.21 C ATOM 1242 C PRO A 84 15.292 -3.071 9.213 1.00 0.19 C ATOM 1243 O PRO A 84 15.138 -1.893 9.542 1.00 0.20 O ATOM 1244 CB PRO A 84 15.716 -4.513 11.224 1.00 0.25 C ATOM 1245 CG PRO A 84 16.442 -5.728 10.764 1.00 0.50 C ATOM 1246 CD PRO A 84 15.464 -6.503 9.929 1.00 0.31 C ATOM 0 HA PRO A 84 13.773 -3.799 10.436 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.404 -3.686 11.401 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.192 -4.698 12.161 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.324 -5.459 10.183 1.00 0.50 H new ATOM 0 HG3 PRO A 84 16.787 -6.321 11.611 1.00 0.50 H new ATOM 0 HD2 PRO A 84 15.963 -7.046 9.126 1.00 0.31 H new ATOM 0 HD3 PRO A 84 14.923 -7.239 10.524 1.00 0.31 H new ATOM 1254 N GLU A 85 15.922 -3.418 8.096 1.00 0.20 N ATOM 1255 CA GLU A 85 16.509 -2.401 7.236 1.00 0.22 C ATOM 1256 C GLU A 85 16.859 -2.936 5.861 1.00 0.24 C ATOM 1257 O GLU A 85 17.871 -3.602 5.652 1.00 0.35 O ATOM 1258 CB GLU A 85 17.737 -1.772 7.898 1.00 0.31 C ATOM 1259 CG GLU A 85 18.271 -0.564 7.147 1.00 0.34 C ATOM 1260 CD GLU A 85 19.233 0.254 7.970 1.00 0.90 C ATOM 1261 OE1 GLU A 85 18.773 0.933 8.912 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.447 0.233 7.683 1.00 1.30 O ATOM 0 H GLU A 85 16.038 -4.378 7.770 1.00 0.20 H new ATOM 0 HA GLU A 85 15.751 -1.630 7.096 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.481 -1.475 8.915 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.525 -2.522 7.974 1.00 0.31 H new ATOM 0 HG2 GLU A 85 18.770 -0.898 6.238 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.436 0.066 6.839 1.00 0.34 H new ATOM 1269 N LEU A 86 15.992 -2.615 4.937 1.00 0.23 N ATOM 1270 CA LEU A 86 16.171 -2.919 3.548 1.00 0.24 C ATOM 1271 C LEU A 86 16.437 -1.624 2.793 1.00 0.23 C ATOM 1272 O LEU A 86 15.543 -0.792 2.650 1.00 0.25 O ATOM 1273 CB LEU A 86 14.906 -3.597 3.034 1.00 0.26 C ATOM 1274 CG LEU A 86 14.841 -3.804 1.532 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.959 -4.728 1.059 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.473 -4.352 1.142 1.00 0.38 C ATOM 0 H LEU A 86 15.121 -2.123 5.138 1.00 0.23 H new ATOM 0 HA LEU A 86 17.017 -3.590 3.400 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.811 -4.567 3.522 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.046 -3.001 3.339 1.00 0.26 H new ATOM 0 HG LEU A 86 14.982 -2.842 1.040 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.890 -4.860 -0.021 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.925 -4.289 1.310 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.863 -5.697 1.550 1.00 0.38 H new ATOM 0 HD21 LEU A 86 13.434 -4.498 0.063 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.307 -5.305 1.643 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.699 -3.645 1.441 1.00 0.38 H new ATOM 1288 N VAL A 87 17.671 -1.426 2.363 1.00 0.24 N ATOM 1289 CA VAL A 87 18.016 -0.222 1.618 1.00 0.22 C ATOM 1290 C VAL A 87 18.092 -0.555 0.134 1.00 0.21 C ATOM 1291 O VAL A 87 18.827 -1.453 -0.270 1.00 0.28 O ATOM 1292 CB VAL A 87 19.360 0.383 2.073 1.00 0.27 C ATOM 1293 CG1 VAL A 87 19.413 1.877 1.799 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.621 0.090 3.537 1.00 0.94 C ATOM 0 H VAL A 87 18.445 -2.074 2.513 1.00 0.24 H new ATOM 0 HA VAL A 87 17.239 0.519 1.809 1.00 0.22 H new ATOM 0 HB VAL A 87 20.150 -0.090 1.489 1.00 0.27 H new ATOM 0 HG11 VAL A 87 20.372 2.274 2.131 1.00 1.00 H new ATOM 0 HG12 VAL A 87 19.297 2.055 0.730 1.00 1.00 H new ATOM 0 HG13 VAL A 87 18.608 2.375 2.340 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.575 0.528 3.831 1.00 0.94 H new ATOM 0 HG22 VAL A 87 18.822 0.519 4.142 1.00 0.94 H new ATOM 0 HG23 VAL A 87 19.654 -0.988 3.692 1.00 0.94 H new ATOM 1304 N PHE A 88 17.342 0.169 -0.672 1.00 0.17 N ATOM 1305 CA PHE A 88 17.212 -0.162 -2.085 1.00 0.19 C ATOM 1306 C PHE A 88 17.095 1.099 -2.913 1.00 0.20 C ATOM 1307 O PHE A 88 16.782 2.166 -2.387 1.00 0.23 O ATOM 1308 CB PHE A 88 15.985 -1.046 -2.313 1.00 0.21 C ATOM 1309 CG PHE A 88 14.681 -0.364 -2.003 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.232 -0.261 -0.696 1.00 0.19 C ATOM 1311 CD2 PHE A 88 13.913 0.185 -3.017 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.038 0.369 -0.409 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.721 0.817 -2.737 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.267 0.880 -1.432 1.00 0.15 C ATOM 0 H PHE A 88 16.812 0.990 -0.378 1.00 0.17 H new ATOM 0 HA PHE A 88 18.104 -0.707 -2.394 1.00 0.19 H new ATOM 0 HB2 PHE A 88 15.974 -1.376 -3.352 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.073 -1.940 -1.696 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.823 -0.678 0.106 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.253 0.117 -4.040 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.708 0.462 0.615 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.143 1.262 -3.534 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.309 1.329 -1.214 1.00 0.15 H new ATOM 1324 N THR A 89 17.347 0.974 -4.204 1.00 0.23 N ATOM 1325 CA THR A 89 17.202 2.092 -5.113 1.00 0.25 C ATOM 1326 C THR A 89 15.736 2.257 -5.498 1.00 0.21 C ATOM 1327 O THR A 89 15.157 1.391 -6.153 1.00 0.22 O ATOM 1328 CB THR A 89 18.061 1.887 -6.377 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.396 1.526 -5.995 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.101 3.153 -7.222 1.00 0.37 C ATOM 0 H THR A 89 17.654 0.107 -4.645 1.00 0.23 H new ATOM 0 HA THR A 89 17.547 2.995 -4.609 1.00 0.25 H new ATOM 0 HB THR A 89 17.614 1.090 -6.971 1.00 0.33 H new ATOM 0 HG1 THR A 89 19.942 1.394 -6.798 1.00 0.42 H new ATOM 0 HG21 THR A 89 18.713 2.981 -8.107 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.089 3.419 -7.527 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.529 3.967 -6.637 1.00 0.37 H new ATOM 1338 N LEU A 90 15.133 3.344 -5.039 1.00 0.19 N ATOM 1339 CA LEU A 90 13.739 3.640 -5.343 1.00 0.16 C ATOM 1340 C LEU A 90 13.540 3.742 -6.853 1.00 0.15 C ATOM 1341 O LEU A 90 14.326 4.386 -7.543 1.00 0.18 O ATOM 1342 CB LEU A 90 13.334 4.953 -4.676 1.00 0.16 C ATOM 1343 CG LEU A 90 11.833 5.194 -4.563 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.164 4.019 -3.866 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.572 6.485 -3.806 1.00 0.60 C ATOM 0 H LEU A 90 15.590 4.040 -4.451 1.00 0.19 H new ATOM 0 HA LEU A 90 13.114 2.834 -4.960 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.765 4.981 -3.675 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.776 5.777 -5.236 1.00 0.16 H new ATOM 0 HG LEU A 90 11.410 5.286 -5.563 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.092 4.203 -3.791 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.337 3.109 -4.440 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.583 3.902 -2.866 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.497 6.651 -3.729 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.001 6.414 -2.806 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.030 7.318 -4.339 1.00 0.60 H new ATOM 1357 N GLY A 91 12.518 3.078 -7.366 1.00 0.20 N ATOM 1358 CA GLY A 91 12.200 3.166 -8.776 1.00 0.23 C ATOM 1359 C GLY A 91 13.014 2.206 -9.611 1.00 0.26 C ATOM 1360 O GLY A 91 12.892 2.178 -10.836 1.00 0.37 O ATOM 0 H GLY A 91 11.897 2.474 -6.827 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.139 2.959 -8.920 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.376 4.184 -9.123 1.00 0.23 H new ATOM 1364 N ASP A 92 13.836 1.407 -8.949 1.00 0.27 N ATOM 1365 CA ASP A 92 14.690 0.454 -9.642 1.00 0.32 C ATOM 1366 C ASP A 92 14.076 -0.928 -9.604 1.00 0.30 C ATOM 1367 O ASP A 92 14.580 -1.865 -10.226 1.00 0.37 O ATOM 1368 CB ASP A 92 16.094 0.446 -9.029 1.00 0.42 C ATOM 1369 CG ASP A 92 17.048 -0.492 -9.746 1.00 0.59 C ATOM 1370 OD1 ASP A 92 17.176 -0.386 -10.984 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.670 -1.338 -9.077 1.00 0.82 O ATOM 0 H ASP A 92 13.930 1.399 -7.933 1.00 0.27 H new ATOM 0 HA ASP A 92 14.778 0.759 -10.685 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.501 1.457 -9.053 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.025 0.154 -7.981 1.00 0.42 H new ATOM 1376 N CYS A 93 12.956 -1.036 -8.902 1.00 0.28 N ATOM 1377 CA CYS A 93 12.288 -2.312 -8.731 1.00 0.27 C ATOM 1378 C CYS A 93 13.241 -3.295 -8.068 1.00 0.26 C ATOM 1379 O CYS A 93 13.196 -4.497 -8.333 1.00 0.31 O ATOM 1380 CB CYS A 93 11.823 -2.869 -10.078 1.00 0.38 C ATOM 1381 SG CYS A 93 10.898 -1.693 -11.093 1.00 0.62 S ATOM 0 H CYS A 93 12.493 -0.252 -8.442 1.00 0.28 H new ATOM 0 HA CYS A 93 11.411 -2.166 -8.101 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.695 -3.207 -10.638 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.200 -3.745 -9.899 1.00 0.38 H new ATOM 0 HG CYS A 93 9.660 -2.079 -11.185 1.00 0.62 H new ATOM 1387 N ASP A 94 14.105 -2.778 -7.191 1.00 0.27 N ATOM 1388 CA ASP A 94 15.052 -3.624 -6.484 1.00 0.33 C ATOM 1389 C ASP A 94 14.303 -4.439 -5.446 1.00 0.33 C ATOM 1390 O ASP A 94 14.811 -5.393 -4.863 1.00 0.48 O ATOM 1391 CB ASP A 94 16.140 -2.780 -5.818 1.00 0.41 C ATOM 1392 CG ASP A 94 17.221 -3.631 -5.182 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.009 -4.258 -5.917 1.00 1.33 O ATOM 1394 OD2 ASP A 94 17.273 -3.691 -3.936 1.00 0.96 O ATOM 0 H ASP A 94 14.164 -1.786 -6.959 1.00 0.27 H new ATOM 0 HA ASP A 94 15.538 -4.293 -7.194 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.590 -2.120 -6.560 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.688 -2.143 -5.058 1.00 0.41 H new ATOM 1399 N VAL A 95 13.060 -4.048 -5.268 1.00 0.23 N ATOM 1400 CA VAL A 95 12.184 -4.609 -4.270 1.00 0.21 C ATOM 1401 C VAL A 95 10.864 -4.988 -4.906 1.00 0.20 C ATOM 1402 O VAL A 95 10.778 -5.158 -6.123 1.00 0.22 O ATOM 1403 CB VAL A 95 11.923 -3.577 -3.166 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.176 -3.372 -2.350 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.469 -2.259 -3.778 1.00 0.19 C ATOM 0 H VAL A 95 12.623 -3.315 -5.827 1.00 0.23 H new ATOM 0 HA VAL A 95 12.657 -5.493 -3.842 1.00 0.21 H new ATOM 0 HB VAL A 95 11.133 -3.947 -2.512 1.00 0.20 H new ATOM 0 HG11 VAL A 95 12.984 -2.638 -1.567 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.473 -4.317 -1.896 1.00 0.23 H new ATOM 0 HG13 VAL A 95 13.977 -3.013 -2.997 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.286 -1.533 -2.985 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.244 -1.881 -4.444 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.551 -2.418 -4.343 1.00 0.19 H new ATOM 1415 N ILE A 96 9.832 -5.090 -4.088 1.00 0.19 N ATOM 1416 CA ILE A 96 8.514 -5.342 -4.587 1.00 0.19 C ATOM 1417 C ILE A 96 7.946 -4.032 -5.086 1.00 0.16 C ATOM 1418 O ILE A 96 8.138 -2.989 -4.459 1.00 0.15 O ATOM 1419 CB ILE A 96 7.604 -5.962 -3.505 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.398 -5.004 -2.331 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.221 -7.254 -3.005 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.468 -5.538 -1.257 1.00 0.29 C ATOM 0 H ILE A 96 9.893 -5.000 -3.074 1.00 0.19 H new ATOM 0 HA ILE A 96 8.564 -6.066 -5.400 1.00 0.19 H new ATOM 0 HB ILE A 96 6.630 -6.161 -3.953 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.366 -4.782 -1.882 1.00 0.25 H new ATOM 0 HG13 ILE A 96 6.998 -4.063 -2.709 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.579 -7.692 -2.241 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.326 -7.952 -3.835 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.203 -7.047 -2.579 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.373 -4.802 -0.459 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.487 -5.733 -1.690 1.00 0.29 H new ATOM 0 HD13 ILE A 96 6.876 -6.463 -0.850 1.00 0.29 H new ATOM 1434 N GLN A 97 7.289 -4.076 -6.224 1.00 0.17 N ATOM 1435 CA GLN A 97 6.809 -2.858 -6.865 1.00 0.17 C ATOM 1436 C GLN A 97 5.849 -2.112 -5.940 1.00 0.16 C ATOM 1437 O GLN A 97 5.748 -0.892 -5.993 1.00 0.16 O ATOM 1438 CB GLN A 97 6.135 -3.172 -8.202 1.00 0.19 C ATOM 1439 CG GLN A 97 6.290 -2.057 -9.233 1.00 0.25 C ATOM 1440 CD GLN A 97 7.703 -1.959 -9.794 1.00 0.31 C ATOM 1441 OE1 GLN A 97 8.026 -2.599 -10.795 1.00 0.40 O ATOM 1442 NE2 GLN A 97 8.561 -1.161 -9.163 1.00 0.32 N ATOM 0 H GLN A 97 7.072 -4.936 -6.728 1.00 0.17 H new ATOM 0 HA GLN A 97 7.668 -2.217 -7.064 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.557 -4.092 -8.606 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.074 -3.355 -8.032 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.591 -2.227 -10.052 1.00 0.25 H new ATOM 0 HG3 GLN A 97 6.020 -1.106 -8.775 1.00 0.25 H new ATOM 0 HE21 GLN A 97 8.263 -0.644 -8.336 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.517 -1.067 -9.506 1.00 0.32 H new ATOM 1451 N ALA A 98 5.167 -2.857 -5.074 1.00 0.17 N ATOM 1452 CA ALA A 98 4.290 -2.264 -4.070 1.00 0.18 C ATOM 1453 C ALA A 98 5.071 -1.331 -3.160 1.00 0.17 C ATOM 1454 O ALA A 98 4.628 -0.229 -2.850 1.00 0.20 O ATOM 1455 CB ALA A 98 3.638 -3.349 -3.238 1.00 0.20 C ATOM 0 H ALA A 98 5.206 -3.876 -5.048 1.00 0.17 H new ATOM 0 HA ALA A 98 3.520 -1.692 -4.587 1.00 0.18 H new ATOM 0 HB1 ALA A 98 2.986 -2.894 -2.493 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.050 -4.000 -3.885 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.408 -3.935 -2.737 1.00 0.20 H new ATOM 1461 N LEU A 99 6.245 -1.781 -2.748 1.00 0.17 N ATOM 1462 CA LEU A 99 7.085 -0.997 -1.854 1.00 0.17 C ATOM 1463 C LEU A 99 7.765 0.117 -2.621 1.00 0.15 C ATOM 1464 O LEU A 99 7.884 1.242 -2.145 1.00 0.15 O ATOM 1465 CB LEU A 99 8.140 -1.863 -1.177 1.00 0.19 C ATOM 1466 CG LEU A 99 9.089 -1.098 -0.256 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.312 -0.385 0.840 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.122 -2.034 0.347 1.00 0.22 C ATOM 0 H LEU A 99 6.638 -2.683 -3.017 1.00 0.17 H new ATOM 0 HA LEU A 99 6.441 -0.574 -1.083 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.639 -2.639 -0.598 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.726 -2.367 -1.945 1.00 0.19 H new ATOM 0 HG LEU A 99 9.611 -0.349 -0.851 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.005 0.154 1.486 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.612 0.319 0.390 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.761 -1.117 1.430 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.788 -1.469 0.999 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.618 -2.808 0.925 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.703 -2.497 -0.451 1.00 0.22 H new ATOM 1480 N ASP A 100 8.172 -0.209 -3.832 1.00 0.15 N ATOM 1481 CA ASP A 100 8.893 0.717 -4.684 1.00 0.16 C ATOM 1482 C ASP A 100 8.025 1.934 -4.975 1.00 0.15 C ATOM 1483 O ASP A 100 8.518 3.036 -5.197 1.00 0.16 O ATOM 1484 CB ASP A 100 9.285 -0.006 -5.978 1.00 0.17 C ATOM 1485 CG ASP A 100 10.098 0.837 -6.941 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.487 1.609 -7.711 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.344 0.764 -6.903 1.00 0.21 O ATOM 0 H ASP A 100 8.012 -1.124 -4.254 1.00 0.15 H new ATOM 0 HA ASP A 100 9.798 1.064 -4.185 1.00 0.16 H new ATOM 0 HB2 ASP A 100 9.856 -0.899 -5.723 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.379 -0.341 -6.482 1.00 0.17 H new ATOM 1492 N LEU A 101 6.722 1.717 -4.974 1.00 0.16 N ATOM 1493 CA LEU A 101 5.767 2.780 -5.186 1.00 0.16 C ATOM 1494 C LEU A 101 5.319 3.436 -3.877 1.00 0.15 C ATOM 1495 O LEU A 101 5.080 4.646 -3.828 1.00 0.16 O ATOM 1496 CB LEU A 101 4.560 2.228 -5.932 1.00 0.19 C ATOM 1497 CG LEU A 101 4.868 1.603 -7.293 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.587 1.140 -7.969 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.632 2.579 -8.179 1.00 0.25 C ATOM 0 H LEU A 101 6.301 0.800 -4.826 1.00 0.16 H new ATOM 0 HA LEU A 101 6.257 3.554 -5.777 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.078 1.477 -5.306 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.841 3.034 -6.074 1.00 0.19 H new ATOM 0 HG LEU A 101 5.503 0.731 -7.134 1.00 0.22 H new ATOM 0 HD11 LEU A 101 3.825 0.698 -8.936 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.093 0.397 -7.342 1.00 0.25 H new ATOM 0 HD13 LEU A 101 2.923 1.992 -8.113 1.00 0.25 H new ATOM 0 HD21 LEU A 101 5.839 2.111 -9.141 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.033 3.476 -8.333 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.572 2.849 -7.697 1.00 0.25 H new ATOM 1511 N SER A 102 5.205 2.652 -2.814 1.00 0.15 N ATOM 1512 CA SER A 102 4.640 3.158 -1.575 1.00 0.17 C ATOM 1513 C SER A 102 5.619 4.085 -0.856 1.00 0.15 C ATOM 1514 O SER A 102 5.205 4.971 -0.111 1.00 0.18 O ATOM 1515 CB SER A 102 4.215 1.999 -0.669 1.00 0.23 C ATOM 1516 OG SER A 102 5.261 1.063 -0.514 1.00 1.01 O ATOM 0 H SER A 102 5.493 1.674 -2.786 1.00 0.15 H new ATOM 0 HA SER A 102 3.755 3.745 -1.821 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.921 2.385 0.307 1.00 0.23 H new ATOM 0 HB3 SER A 102 3.341 1.505 -1.092 1.00 0.23 H new ATOM 0 HG SER A 102 4.923 0.268 -0.052 1.00 1.01 H new ATOM 1522 N VAL A 103 6.909 3.884 -1.101 1.00 0.15 N ATOM 1523 CA VAL A 103 7.945 4.721 -0.501 1.00 0.16 C ATOM 1524 C VAL A 103 7.829 6.183 -0.929 1.00 0.16 C ATOM 1525 O VAL A 103 7.745 7.064 -0.083 1.00 0.18 O ATOM 1526 CB VAL A 103 9.352 4.211 -0.840 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.419 5.218 -0.422 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.600 2.882 -0.161 1.00 0.19 C ATOM 0 H VAL A 103 7.264 3.148 -1.712 1.00 0.15 H new ATOM 0 HA VAL A 103 7.789 4.660 0.576 1.00 0.16 H new ATOM 0 HB VAL A 103 9.413 4.080 -1.920 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.405 4.829 -0.675 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.255 6.160 -0.945 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.360 5.386 0.653 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.601 2.529 -0.408 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.514 3.003 0.919 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.864 2.155 -0.504 1.00 0.19 H new ATOM 1538 N PRO A 104 7.831 6.474 -2.246 1.00 0.17 N ATOM 1539 CA PRO A 104 7.629 7.838 -2.737 1.00 0.21 C ATOM 1540 C PRO A 104 6.252 8.366 -2.354 1.00 0.19 C ATOM 1541 O PRO A 104 6.032 9.570 -2.290 1.00 0.22 O ATOM 1542 CB PRO A 104 7.767 7.710 -4.260 1.00 0.27 C ATOM 1543 CG PRO A 104 7.569 6.260 -4.545 1.00 0.21 C ATOM 1544 CD PRO A 104 8.085 5.532 -3.346 1.00 0.17 C ATOM 0 HA PRO A 104 8.342 8.543 -2.309 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.024 8.319 -4.776 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.747 8.048 -4.597 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.516 6.036 -4.715 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.107 5.962 -5.445 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.565 4.586 -3.194 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.146 5.301 -3.441 1.00 0.17 H new ATOM 1552 N LEU A 105 5.324 7.447 -2.106 1.00 0.18 N ATOM 1553 CA LEU A 105 4.008 7.806 -1.600 1.00 0.19 C ATOM 1554 C LEU A 105 4.041 8.106 -0.103 1.00 0.22 C ATOM 1555 O LEU A 105 3.090 8.659 0.451 1.00 0.32 O ATOM 1556 CB LEU A 105 3.017 6.677 -1.864 1.00 0.18 C ATOM 1557 CG LEU A 105 2.503 6.578 -3.297 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.392 5.555 -3.382 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.017 7.929 -3.792 1.00 0.64 C ATOM 0 H LEU A 105 5.462 6.446 -2.248 1.00 0.18 H new ATOM 0 HA LEU A 105 3.693 8.708 -2.124 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.491 5.732 -1.600 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.163 6.803 -1.198 1.00 0.18 H new ATOM 0 HG LEU A 105 3.326 6.259 -3.936 1.00 0.25 H new ATOM 0 HD11 LEU A 105 1.033 5.493 -4.409 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.769 4.581 -3.070 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.572 5.853 -2.728 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.655 7.833 -4.816 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.207 8.281 -3.153 1.00 0.64 H new ATOM 0 HD23 LEU A 105 2.839 8.644 -3.763 1.00 0.64 H new ATOM 1571 N MET A 106 5.110 7.703 0.554 1.00 0.20 N ATOM 1572 CA MET A 106 5.249 7.898 1.986 1.00 0.24 C ATOM 1573 C MET A 106 6.269 9.000 2.301 1.00 0.21 C ATOM 1574 O MET A 106 7.154 9.286 1.497 1.00 0.26 O ATOM 1575 CB MET A 106 5.650 6.563 2.631 1.00 0.33 C ATOM 1576 CG MET A 106 7.120 6.443 2.982 1.00 0.53 C ATOM 1577 SD MET A 106 7.626 4.732 3.266 1.00 0.78 S ATOM 1578 CE MET A 106 6.549 4.269 4.616 1.00 0.54 C ATOM 0 H MET A 106 5.903 7.234 0.115 1.00 0.20 H new ATOM 0 HA MET A 106 4.296 8.226 2.401 1.00 0.24 H new ATOM 0 HB2 MET A 106 5.062 6.422 3.538 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.386 5.753 1.951 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.719 6.866 2.175 1.00 0.53 H new ATOM 0 HG3 MET A 106 7.326 7.033 3.875 1.00 0.53 H new ATOM 0 HE1 MET A 106 7.148 4.034 5.496 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.877 5.096 4.845 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.964 3.394 4.331 1.00 0.54 H new ATOM 1588 N ASP A 107 6.129 9.625 3.463 1.00 0.18 N ATOM 1589 CA ASP A 107 7.064 10.664 3.886 1.00 0.18 C ATOM 1590 C ASP A 107 8.231 10.053 4.653 1.00 0.14 C ATOM 1591 O ASP A 107 8.104 8.983 5.253 1.00 0.13 O ATOM 1592 CB ASP A 107 6.363 11.712 4.763 1.00 0.25 C ATOM 1593 CG ASP A 107 5.746 12.850 3.970 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.802 12.607 3.189 1.00 0.92 O ATOM 1595 OD2 ASP A 107 6.202 14.005 4.146 1.00 0.97 O ATOM 0 H ASP A 107 5.380 9.433 4.129 1.00 0.18 H new ATOM 0 HA ASP A 107 7.442 11.155 2.990 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.584 11.223 5.347 1.00 0.25 H new ATOM 0 HB3 ASP A 107 7.083 12.122 5.471 1.00 0.25 H new ATOM 1600 N VAL A 108 9.374 10.723 4.629 1.00 0.16 N ATOM 1601 CA VAL A 108 10.536 10.234 5.346 1.00 0.16 C ATOM 1602 C VAL A 108 10.259 10.228 6.842 1.00 0.15 C ATOM 1603 O VAL A 108 9.800 11.216 7.418 1.00 0.19 O ATOM 1604 CB VAL A 108 11.821 11.049 5.020 1.00 0.21 C ATOM 1605 CG1 VAL A 108 11.953 12.307 5.871 1.00 0.68 C ATOM 1606 CG2 VAL A 108 13.060 10.176 5.159 1.00 0.80 C ATOM 0 H VAL A 108 9.519 11.598 4.125 1.00 0.16 H new ATOM 0 HA VAL A 108 10.724 9.213 5.013 1.00 0.16 H new ATOM 0 HB VAL A 108 11.731 11.377 3.984 1.00 0.21 H new ATOM 0 HG11 VAL A 108 12.867 12.835 5.600 1.00 0.68 H new ATOM 0 HG12 VAL A 108 11.094 12.955 5.697 1.00 0.68 H new ATOM 0 HG13 VAL A 108 11.992 12.031 6.925 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.948 10.764 4.927 1.00 0.80 H new ATOM 0 HG22 VAL A 108 13.129 9.803 6.181 1.00 0.80 H new ATOM 0 HG23 VAL A 108 12.992 9.335 4.469 1.00 0.80 H new ATOM 1616 N GLY A 109 10.482 9.083 7.446 1.00 0.15 N ATOM 1617 CA GLY A 109 10.310 8.955 8.873 1.00 0.17 C ATOM 1618 C GLY A 109 8.946 8.413 9.256 1.00 0.18 C ATOM 1619 O GLY A 109 8.594 8.397 10.436 1.00 0.28 O ATOM 0 H GLY A 109 10.782 8.231 6.973 1.00 0.15 H new ATOM 0 HA2 GLY A 109 11.082 8.295 9.269 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.453 9.929 9.340 1.00 0.17 H new ATOM 1623 N GLU A 110 8.169 7.967 8.272 1.00 0.13 N ATOM 1624 CA GLU A 110 6.844 7.450 8.554 1.00 0.13 C ATOM 1625 C GLU A 110 6.839 5.933 8.604 1.00 0.10 C ATOM 1626 O GLU A 110 7.806 5.270 8.221 1.00 0.12 O ATOM 1627 CB GLU A 110 5.810 7.936 7.534 1.00 0.17 C ATOM 1628 CG GLU A 110 5.777 7.196 6.214 1.00 0.20 C ATOM 1629 CD GLU A 110 4.498 7.477 5.437 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.206 8.662 5.153 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.770 6.521 5.113 1.00 0.39 O ATOM 0 H GLU A 110 8.434 7.955 7.287 1.00 0.13 H new ATOM 0 HA GLU A 110 6.565 7.836 9.535 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.822 7.870 7.989 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.997 8.990 7.331 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.638 7.487 5.613 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.863 6.125 6.396 1.00 0.20 H new ATOM 1638 N THR A 111 5.743 5.397 9.100 1.00 0.10 N ATOM 1639 CA THR A 111 5.533 3.977 9.122 1.00 0.11 C ATOM 1640 C THR A 111 4.176 3.699 8.507 1.00 0.11 C ATOM 1641 O THR A 111 3.154 4.177 8.999 1.00 0.12 O ATOM 1642 CB THR A 111 5.599 3.421 10.559 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.730 3.980 11.241 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.720 1.904 10.556 1.00 0.19 C ATOM 0 H THR A 111 4.976 5.940 9.498 1.00 0.10 H new ATOM 0 HA THR A 111 6.320 3.481 8.553 1.00 0.11 H new ATOM 0 HB THR A 111 4.677 3.696 11.071 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.769 3.627 12.154 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.764 1.541 11.583 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.854 1.471 10.055 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.628 1.612 10.028 1.00 0.19 H new ATOM 1652 N ALA A 112 4.170 2.971 7.408 1.00 0.12 N ATOM 1653 CA ALA A 112 2.943 2.721 6.689 1.00 0.13 C ATOM 1654 C ALA A 112 2.682 1.236 6.580 1.00 0.12 C ATOM 1655 O ALA A 112 3.594 0.450 6.349 1.00 0.13 O ATOM 1656 CB ALA A 112 3.000 3.350 5.307 1.00 0.18 C ATOM 0 H ALA A 112 5.000 2.544 6.997 1.00 0.12 H new ATOM 0 HA ALA A 112 2.122 3.175 7.244 1.00 0.13 H new ATOM 0 HB1 ALA A 112 2.067 3.152 4.778 1.00 0.18 H new ATOM 0 HB2 ALA A 112 3.141 4.427 5.403 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.832 2.923 4.747 1.00 0.18 H new ATOM 1662 N MET A 113 1.438 0.863 6.755 1.00 0.12 N ATOM 1663 CA MET A 113 1.033 -0.504 6.538 1.00 0.12 C ATOM 1664 C MET A 113 0.432 -0.580 5.157 1.00 0.12 C ATOM 1665 O MET A 113 -0.542 0.105 4.865 1.00 0.14 O ATOM 1666 CB MET A 113 0.016 -0.950 7.591 1.00 0.16 C ATOM 1667 CG MET A 113 -0.764 -2.186 7.180 1.00 0.25 C ATOM 1668 SD MET A 113 -1.938 -2.724 8.435 1.00 0.53 S ATOM 1669 CE MET A 113 -0.837 -3.563 9.568 1.00 1.32 C ATOM 0 H MET A 113 0.687 1.488 7.048 1.00 0.12 H new ATOM 0 HA MET A 113 1.892 -1.170 6.623 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.536 -1.151 8.528 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.681 -0.134 7.782 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.300 -1.980 6.253 1.00 0.25 H new ATOM 0 HG3 MET A 113 -0.066 -2.997 6.971 1.00 0.25 H new ATOM 0 HE1 MET A 113 -1.147 -4.603 9.673 1.00 1.32 H new ATOM 0 HE2 MET A 113 0.181 -3.525 9.181 1.00 1.32 H new ATOM 0 HE3 MET A 113 -0.874 -3.073 10.541 1.00 1.32 H new ATOM 1679 N VAL A 114 1.035 -1.365 4.300 1.00 0.12 N ATOM 1680 CA VAL A 114 0.579 -1.465 2.936 1.00 0.12 C ATOM 1681 C VAL A 114 0.080 -2.858 2.667 1.00 0.13 C ATOM 1682 O VAL A 114 0.771 -3.838 2.946 1.00 0.16 O ATOM 1683 CB VAL A 114 1.714 -1.154 1.947 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.194 -0.934 0.535 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.506 0.037 2.427 1.00 0.17 C ATOM 0 H VAL A 114 1.844 -1.945 4.523 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.223 -0.739 2.799 1.00 0.12 H new ATOM 0 HB VAL A 114 2.372 -2.022 1.908 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.029 -0.717 -0.131 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.681 -1.832 0.192 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.499 -0.095 0.530 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.308 0.250 1.720 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.850 0.904 2.503 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.934 -0.181 3.406 1.00 0.17 H new ATOM 1695 N THR A 115 -1.116 -2.953 2.145 1.00 0.14 N ATOM 1696 CA THR A 115 -1.601 -4.222 1.713 1.00 0.14 C ATOM 1697 C THR A 115 -1.575 -4.248 0.205 1.00 0.13 C ATOM 1698 O THR A 115 -2.267 -3.480 -0.462 1.00 0.16 O ATOM 1699 CB THR A 115 -3.005 -4.539 2.241 1.00 0.17 C ATOM 1700 OG1 THR A 115 -3.008 -4.516 3.671 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.424 -5.910 1.772 1.00 0.20 C ATOM 0 H THR A 115 -1.759 -2.172 2.013 1.00 0.14 H new ATOM 0 HA THR A 115 -0.952 -4.996 2.122 1.00 0.14 H new ATOM 0 HB THR A 115 -3.700 -3.789 1.864 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.638 -3.835 3.986 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.422 -6.134 2.148 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.433 -5.935 0.682 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.720 -6.653 2.146 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.728 -5.104 -0.304 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.516 -5.240 -1.728 1.00 0.13 C ATOM 1711 C ALA A 116 -0.690 -6.678 -2.129 1.00 0.12 C ATOM 1712 O ALA A 116 -0.231 -7.583 -1.433 1.00 0.13 O ATOM 1713 CB ALA A 116 0.874 -4.768 -2.090 1.00 0.15 C ATOM 0 H ALA A 116 -0.159 -5.734 0.261 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.245 -4.629 -2.259 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.026 -4.874 -3.164 1.00 0.15 H new ATOM 0 HB2 ALA A 116 0.988 -3.721 -1.809 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.612 -5.369 -1.558 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.373 -6.895 -3.232 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.482 -8.230 -3.785 1.00 0.13 C ATOM 1721 C ASP A 117 -0.089 -8.791 -4.007 1.00 0.11 C ATOM 1722 O ASP A 117 0.843 -8.037 -4.287 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.229 -8.219 -5.107 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.708 -9.604 -5.489 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.902 -10.383 -6.052 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.884 -9.920 -5.228 1.00 0.58 O ATOM 0 H ASP A 117 -1.859 -6.171 -3.761 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.037 -8.850 -3.081 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.083 -7.545 -5.038 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.578 -7.830 -5.890 1.00 0.16 H new ATOM 1731 N SER A 118 0.055 -10.099 -3.889 1.00 0.13 N ATOM 1732 CA SER A 118 1.352 -10.742 -4.042 1.00 0.16 C ATOM 1733 C SER A 118 1.960 -10.399 -5.397 1.00 0.13 C ATOM 1734 O SER A 118 3.173 -10.369 -5.557 1.00 0.15 O ATOM 1735 CB SER A 118 1.209 -12.254 -3.900 1.00 0.27 C ATOM 1736 OG SER A 118 2.408 -12.852 -3.446 1.00 0.82 O ATOM 0 H SER A 118 -0.712 -10.740 -3.687 1.00 0.13 H new ATOM 0 HA SER A 118 2.016 -10.374 -3.259 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.403 -12.479 -3.202 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.928 -12.685 -4.861 1.00 0.27 H new ATOM 0 HG SER A 118 2.273 -13.817 -3.342 1.00 0.82 H new ATOM 1742 N LYS A 119 1.116 -10.117 -6.369 1.00 0.13 N ATOM 1743 CA LYS A 119 1.576 -9.685 -7.678 1.00 0.14 C ATOM 1744 C LYS A 119 2.496 -8.460 -7.581 1.00 0.14 C ATOM 1745 O LYS A 119 3.423 -8.315 -8.375 1.00 0.18 O ATOM 1746 CB LYS A 119 0.383 -9.379 -8.571 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.619 -8.443 -7.937 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.701 -8.046 -8.918 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.548 -9.233 -9.336 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.340 -8.928 -10.557 1.00 0.81 N ATOM 0 H LYS A 119 0.102 -10.179 -6.278 1.00 0.13 H new ATOM 0 HA LYS A 119 2.157 -10.498 -8.114 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.740 -8.940 -9.503 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.117 -10.313 -8.829 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.071 -8.924 -7.070 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.108 -7.551 -7.576 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.339 -7.286 -8.467 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.244 -7.597 -9.800 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -1.905 -10.093 -9.522 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.220 -9.507 -8.523 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -3.909 -9.759 -10.818 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -3.970 -8.122 -10.370 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -2.696 -8.690 -11.338 1.00 0.81 H new ATOM 1764 N TYR A 120 2.255 -7.586 -6.600 1.00 0.13 N ATOM 1765 CA TYR A 120 3.134 -6.438 -6.380 1.00 0.15 C ATOM 1766 C TYR A 120 4.144 -6.754 -5.298 1.00 0.15 C ATOM 1767 O TYR A 120 4.983 -5.923 -4.952 1.00 0.19 O ATOM 1768 CB TYR A 120 2.340 -5.192 -5.982 1.00 0.16 C ATOM 1769 CG TYR A 120 1.313 -4.779 -6.993 1.00 0.20 C ATOM 1770 CD1 TYR A 120 0.048 -5.328 -6.965 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.608 -3.845 -7.974 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -0.904 -4.972 -7.886 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.656 -3.477 -8.908 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.602 -4.044 -8.859 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.561 -3.685 -9.779 1.00 0.42 O ATOM 0 H TYR A 120 1.469 -7.651 -5.954 1.00 0.13 H new ATOM 0 HA TYR A 120 3.649 -6.234 -7.319 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.844 -5.378 -5.029 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.033 -4.366 -5.824 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.198 -6.053 -6.203 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.591 -3.400 -8.010 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -1.887 -5.418 -7.849 1.00 0.30 H new ATOM 0 HE2 TYR A 120 0.895 -2.751 -9.671 1.00 0.34 H new ATOM 0 HH TYR A 120 -2.392 -3.457 -9.313 1.00 0.42 H new ATOM 1785 N CYS A 121 4.051 -7.961 -4.784 1.00 0.14 N ATOM 1786 CA CYS A 121 4.917 -8.413 -3.717 1.00 0.15 C ATOM 1787 C CYS A 121 5.773 -9.589 -4.188 1.00 0.16 C ATOM 1788 O CYS A 121 6.842 -9.384 -4.755 1.00 0.18 O ATOM 1789 CB CYS A 121 4.082 -8.799 -2.502 1.00 0.14 C ATOM 1790 SG CYS A 121 3.019 -7.469 -1.897 1.00 0.16 S ATOM 0 H CYS A 121 3.373 -8.657 -5.094 1.00 0.14 H new ATOM 0 HA CYS A 121 5.587 -7.602 -3.433 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.463 -9.659 -2.756 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.749 -9.113 -1.699 1.00 0.14 H new ATOM 0 HG CYS A 121 1.786 -7.879 -1.868 1.00 0.16 H new ATOM 1796 N TYR A 122 5.304 -10.823 -3.983 1.00 0.16 N ATOM 1797 CA TYR A 122 6.063 -11.986 -4.431 1.00 0.18 C ATOM 1798 C TYR A 122 5.153 -13.102 -4.971 1.00 0.18 C ATOM 1799 O TYR A 122 5.421 -14.270 -4.724 1.00 0.20 O ATOM 1800 CB TYR A 122 6.915 -12.562 -3.290 1.00 0.19 C ATOM 1801 CG TYR A 122 7.651 -11.545 -2.432 1.00 0.20 C ATOM 1802 CD1 TYR A 122 7.054 -10.994 -1.305 1.00 0.19 C ATOM 1803 CD2 TYR A 122 8.926 -11.111 -2.773 1.00 0.21 C ATOM 1804 CE1 TYR A 122 7.707 -10.044 -0.541 1.00 0.20 C ATOM 1805 CE2 TYR A 122 9.587 -10.169 -2.011 1.00 0.23 C ATOM 1806 CZ TYR A 122 9.021 -9.733 -0.824 1.00 0.22 C ATOM 1807 OH TYR A 122 9.628 -8.686 -0.149 1.00 0.24 O ATOM 0 H TYR A 122 4.421 -11.037 -3.519 1.00 0.16 H new ATOM 0 HA TYR A 122 6.706 -11.635 -5.238 1.00 0.18 H new ATOM 0 HB2 TYR A 122 6.268 -13.154 -2.643 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.648 -13.245 -3.719 1.00 0.19 H new ATOM 0 HD1 TYR A 122 6.062 -11.313 -1.020 1.00 0.19 H new ATOM 0 HD2 TYR A 122 9.408 -11.518 -3.650 1.00 0.21 H new ATOM 0 HE1 TYR A 122 7.193 -9.550 0.270 1.00 0.20 H new ATOM 0 HE2 TYR A 122 10.538 -9.775 -2.337 1.00 0.23 H new ATOM 0 HH TYR A 122 9.550 -8.831 0.817 1.00 0.24 H new ATOM 1817 N GLY A 123 4.096 -12.755 -5.715 1.00 0.19 N ATOM 1818 CA GLY A 123 3.192 -13.766 -6.267 1.00 0.21 C ATOM 1819 C GLY A 123 3.893 -14.853 -7.067 1.00 0.21 C ATOM 1820 O GLY A 123 4.121 -15.948 -6.564 1.00 0.25 O ATOM 0 H GLY A 123 3.849 -11.793 -5.946 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.640 -14.230 -5.450 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.460 -13.273 -6.907 1.00 0.21 H new ATOM 1824 N PRO A 124 4.236 -14.589 -8.331 1.00 0.25 N ATOM 1825 CA PRO A 124 4.980 -15.540 -9.149 1.00 0.30 C ATOM 1826 C PRO A 124 6.474 -15.421 -8.900 1.00 0.30 C ATOM 1827 O PRO A 124 7.294 -16.008 -9.606 1.00 0.34 O ATOM 1828 CB PRO A 124 4.626 -15.106 -10.568 1.00 0.37 C ATOM 1829 CG PRO A 124 4.411 -13.632 -10.472 1.00 0.58 C ATOM 1830 CD PRO A 124 3.915 -13.355 -9.071 1.00 0.32 C ATOM 0 HA PRO A 124 4.733 -16.580 -8.938 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.428 -15.344 -11.267 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.730 -15.614 -10.926 1.00 0.37 H new ATOM 0 HG2 PRO A 124 5.337 -13.092 -10.668 1.00 0.58 H new ATOM 0 HG3 PRO A 124 3.685 -13.298 -11.213 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.411 -12.488 -8.636 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.845 -13.149 -9.059 1.00 0.32 H new ATOM 1838 N GLN A 125 6.813 -14.643 -7.884 1.00 0.27 N ATOM 1839 CA GLN A 125 8.194 -14.318 -7.590 1.00 0.30 C ATOM 1840 C GLN A 125 8.675 -15.114 -6.392 1.00 0.32 C ATOM 1841 O GLN A 125 9.714 -15.777 -6.435 1.00 0.39 O ATOM 1842 CB GLN A 125 8.316 -12.824 -7.309 1.00 0.30 C ATOM 1843 CG GLN A 125 7.669 -11.968 -8.382 1.00 0.33 C ATOM 1844 CD GLN A 125 7.571 -10.510 -7.982 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.480 -9.716 -8.222 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.446 -10.155 -7.383 1.00 0.29 N ATOM 0 H GLN A 125 6.139 -14.222 -7.244 1.00 0.27 H new ATOM 0 HA GLN A 125 8.813 -14.575 -8.449 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.855 -12.601 -6.347 1.00 0.30 H new ATOM 0 HB3 GLN A 125 9.370 -12.560 -7.227 1.00 0.30 H new ATOM 0 HG2 GLN A 125 8.245 -12.050 -9.304 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.671 -12.351 -8.594 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.721 -10.850 -7.206 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.303 -9.186 -7.099 1.00 0.29 H new ATOM 1855 N GLY A 126 7.885 -15.058 -5.332 1.00 0.27 N ATOM 1856 CA GLY A 126 8.246 -15.669 -4.082 1.00 0.27 C ATOM 1857 C GLY A 126 9.171 -14.802 -3.270 1.00 0.28 C ATOM 1858 O GLY A 126 10.028 -14.097 -3.806 1.00 0.30 O ATOM 0 H GLY A 126 6.980 -14.587 -5.323 1.00 0.27 H new ATOM 0 HA2 GLY A 126 7.344 -15.873 -3.506 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.726 -16.629 -4.274 1.00 0.27 H new ATOM 1862 N SER A 127 8.981 -14.847 -1.971 1.00 0.27 N ATOM 1863 CA SER A 127 9.743 -14.020 -1.067 1.00 0.28 C ATOM 1864 C SER A 127 11.015 -14.726 -0.600 1.00 0.32 C ATOM 1865 O SER A 127 11.115 -15.953 -0.656 1.00 0.33 O ATOM 1866 CB SER A 127 8.860 -13.587 0.120 1.00 0.27 C ATOM 1867 OG SER A 127 9.629 -13.103 1.212 1.00 0.30 O ATOM 0 H SER A 127 8.299 -15.453 -1.515 1.00 0.27 H new ATOM 0 HA SER A 127 10.062 -13.124 -1.600 1.00 0.28 H new ATOM 0 HB2 SER A 127 8.169 -12.811 -0.208 1.00 0.27 H new ATOM 0 HB3 SER A 127 8.257 -14.433 0.449 1.00 0.27 H new ATOM 0 HG SER A 127 9.761 -12.137 1.116 1.00 0.30 H new ATOM 1873 N ARG A 128 11.992 -13.920 -0.176 1.00 0.38 N ATOM 1874 CA ARG A 128 13.331 -14.402 0.156 1.00 0.42 C ATOM 1875 C ARG A 128 13.310 -15.445 1.265 1.00 0.42 C ATOM 1876 O ARG A 128 14.130 -16.367 1.266 1.00 0.52 O ATOM 1877 CB ARG A 128 14.246 -13.232 0.538 1.00 0.52 C ATOM 1878 CG ARG A 128 13.681 -12.322 1.614 1.00 1.12 C ATOM 1879 CD ARG A 128 14.629 -11.175 1.921 1.00 1.41 C ATOM 1880 NE ARG A 128 14.934 -10.369 0.736 1.00 1.81 N ATOM 1881 CZ ARG A 128 15.899 -9.450 0.680 1.00 2.33 C ATOM 1882 NH1 ARG A 128 16.665 -9.212 1.741 1.00 2.45 N ATOM 1883 NH2 ARG A 128 16.100 -8.769 -0.444 1.00 3.17 N ATOM 0 H ARG A 128 11.875 -12.914 -0.054 1.00 0.38 H new ATOM 0 HA ARG A 128 13.728 -14.887 -0.736 1.00 0.42 H new ATOM 0 HB2 ARG A 128 15.201 -13.630 0.880 1.00 0.52 H new ATOM 0 HB3 ARG A 128 14.449 -12.639 -0.354 1.00 0.52 H new ATOM 0 HG2 ARG A 128 12.719 -11.925 1.289 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.498 -12.898 2.521 1.00 1.12 H new ATOM 0 HD2 ARG A 128 14.187 -10.537 2.687 1.00 1.41 H new ATOM 0 HD3 ARG A 128 15.556 -11.574 2.334 1.00 1.41 H new ATOM 0 HE ARG A 128 14.371 -10.521 -0.101 1.00 1.81 H new ATOM 0 HH11 ARG A 128 16.516 -9.734 2.605 1.00 2.45 H new ATOM 0 HH12 ARG A 128 17.401 -8.508 1.691 1.00 2.45 H new ATOM 0 HH21 ARG A 128 15.517 -8.950 -1.261 1.00 3.17 H new ATOM 0 HH22 ARG A 128 16.837 -8.066 -0.489 1.00 3.17 H new ATOM 1897 N SER A 129 12.401 -15.301 2.218 1.00 0.42 N ATOM 1898 CA SER A 129 12.235 -16.328 3.228 1.00 0.44 C ATOM 1899 C SER A 129 11.208 -17.363 2.750 1.00 0.41 C ATOM 1900 O SER A 129 11.574 -18.509 2.498 1.00 0.44 O ATOM 1901 CB SER A 129 11.852 -15.725 4.580 1.00 0.48 C ATOM 1902 OG SER A 129 12.827 -14.793 5.022 1.00 1.23 O ATOM 0 H SER A 129 11.779 -14.498 2.311 1.00 0.42 H new ATOM 0 HA SER A 129 13.189 -16.835 3.375 1.00 0.44 H new ATOM 0 HB2 SER A 129 10.884 -15.231 4.500 1.00 0.48 H new ATOM 0 HB3 SER A 129 11.744 -16.520 5.318 1.00 0.48 H new ATOM 0 HG SER A 129 12.556 -14.422 5.888 1.00 1.23 H new ATOM 1908 N PRO A 130 9.910 -17.003 2.611 1.00 0.37 N ATOM 1909 CA PRO A 130 8.922 -17.886 2.036 1.00 0.36 C ATOM 1910 C PRO A 130 8.555 -17.481 0.615 1.00 0.32 C ATOM 1911 O PRO A 130 8.203 -16.334 0.370 1.00 0.27 O ATOM 1912 CB PRO A 130 7.706 -17.641 2.941 1.00 0.37 C ATOM 1913 CG PRO A 130 7.976 -16.337 3.646 1.00 0.37 C ATOM 1914 CD PRO A 130 9.242 -15.779 3.044 1.00 0.37 C ATOM 0 HA PRO A 130 9.269 -18.918 1.982 1.00 0.36 H new ATOM 0 HB2 PRO A 130 6.788 -17.587 2.356 1.00 0.37 H new ATOM 0 HB3 PRO A 130 7.581 -18.454 3.656 1.00 0.37 H new ATOM 0 HG2 PRO A 130 7.145 -15.644 3.513 1.00 0.37 H new ATOM 0 HG3 PRO A 130 8.092 -16.493 4.719 1.00 0.37 H new ATOM 0 HD2 PRO A 130 9.040 -15.104 2.213 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.833 -15.222 3.771 1.00 0.37 H new ATOM 1922 N TYR A 131 8.629 -18.399 -0.322 1.00 0.33 N ATOM 1923 CA TYR A 131 8.003 -18.179 -1.609 1.00 0.32 C ATOM 1924 C TYR A 131 6.524 -17.901 -1.377 1.00 0.30 C ATOM 1925 O TYR A 131 5.736 -18.822 -1.149 1.00 0.32 O ATOM 1926 CB TYR A 131 8.196 -19.383 -2.543 1.00 0.36 C ATOM 1927 CG TYR A 131 7.487 -19.245 -3.883 1.00 0.45 C ATOM 1928 CD1 TYR A 131 6.138 -19.564 -4.026 1.00 0.78 C ATOM 1929 CD2 TYR A 131 8.166 -18.783 -5.004 1.00 1.00 C ATOM 1930 CE1 TYR A 131 5.493 -19.425 -5.238 1.00 0.87 C ATOM 1931 CE2 TYR A 131 7.524 -18.645 -6.220 1.00 1.14 C ATOM 1932 CZ TYR A 131 6.189 -18.964 -6.328 1.00 0.81 C ATOM 1933 OH TYR A 131 5.539 -18.811 -7.531 1.00 1.00 O ATOM 0 H TYR A 131 9.109 -19.293 -0.222 1.00 0.33 H new ATOM 0 HA TYR A 131 8.471 -17.326 -2.100 1.00 0.32 H new ATOM 0 HB2 TYR A 131 9.262 -19.525 -2.720 1.00 0.36 H new ATOM 0 HB3 TYR A 131 7.833 -20.281 -2.042 1.00 0.36 H new ATOM 0 HD1 TYR A 131 5.586 -19.927 -3.171 1.00 0.78 H new ATOM 0 HD2 TYR A 131 9.212 -18.528 -4.924 1.00 1.00 H new ATOM 0 HE1 TYR A 131 4.447 -19.677 -5.329 1.00 0.87 H new ATOM 0 HE2 TYR A 131 8.067 -18.288 -7.082 1.00 1.14 H new ATOM 0 HH TYR A 131 6.169 -18.475 -8.203 1.00 1.00 H new ATOM 1943 N ILE A 132 6.174 -16.624 -1.365 1.00 0.27 N ATOM 1944 CA ILE A 132 4.814 -16.214 -1.112 1.00 0.26 C ATOM 1945 C ILE A 132 3.917 -16.688 -2.251 1.00 0.25 C ATOM 1946 O ILE A 132 4.242 -16.480 -3.417 1.00 0.25 O ATOM 1947 CB ILE A 132 4.700 -14.677 -0.978 1.00 0.25 C ATOM 1948 CG1 ILE A 132 5.690 -14.109 0.039 1.00 0.39 C ATOM 1949 CG2 ILE A 132 3.290 -14.297 -0.586 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.654 -14.773 1.391 1.00 0.23 C ATOM 0 H ILE A 132 6.823 -15.854 -1.529 1.00 0.27 H new ATOM 0 HA ILE A 132 4.498 -16.663 -0.171 1.00 0.26 H new ATOM 0 HB ILE A 132 4.945 -14.247 -1.949 1.00 0.25 H new ATOM 0 HG12 ILE A 132 6.698 -14.197 -0.367 1.00 0.39 H new ATOM 0 HG13 ILE A 132 5.489 -13.045 0.166 1.00 0.39 H new ATOM 0 HG21 ILE A 132 3.218 -13.213 -0.494 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.594 -14.643 -1.350 1.00 0.26 H new ATOM 0 HG23 ILE A 132 3.040 -14.760 0.369 1.00 0.26 H new ATOM 0 HD11 ILE A 132 6.389 -14.305 2.046 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.660 -14.663 1.824 1.00 0.23 H new ATOM 0 HD13 ILE A 132 5.887 -15.832 1.282 1.00 0.23 H new ATOM 1962 N PRO A 133 2.804 -17.365 -1.932 1.00 0.27 N ATOM 1963 CA PRO A 133 1.860 -17.853 -2.941 1.00 0.28 C ATOM 1964 C PRO A 133 1.391 -16.737 -3.875 1.00 0.26 C ATOM 1965 O PRO A 133 1.233 -15.585 -3.453 1.00 0.26 O ATOM 1966 CB PRO A 133 0.689 -18.385 -2.107 1.00 0.34 C ATOM 1967 CG PRO A 133 1.287 -18.718 -0.785 1.00 0.61 C ATOM 1968 CD PRO A 133 2.386 -17.717 -0.566 1.00 0.31 C ATOM 0 HA PRO A 133 2.307 -18.604 -3.593 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -0.099 -17.638 -2.008 1.00 0.34 H new ATOM 0 HB3 PRO A 133 0.239 -19.263 -2.571 1.00 0.34 H new ATOM 0 HG2 PRO A 133 0.541 -18.658 0.007 1.00 0.61 H new ATOM 0 HG3 PRO A 133 1.678 -19.735 -0.778 1.00 0.61 H new ATOM 0 HD2 PRO A 133 2.031 -16.845 -0.017 1.00 0.31 H new ATOM 0 HD3 PRO A 133 3.209 -18.143 0.009 1.00 0.31 H new ATOM 1976 N PRO A 134 1.179 -17.056 -5.161 1.00 0.27 N ATOM 1977 CA PRO A 134 0.712 -16.079 -6.141 1.00 0.25 C ATOM 1978 C PRO A 134 -0.626 -15.470 -5.749 1.00 0.27 C ATOM 1979 O PRO A 134 -1.542 -16.180 -5.329 1.00 0.32 O ATOM 1980 CB PRO A 134 0.578 -16.880 -7.440 1.00 0.29 C ATOM 1981 CG PRO A 134 1.433 -18.084 -7.237 1.00 0.52 C ATOM 1982 CD PRO A 134 1.384 -18.383 -5.762 1.00 0.33 C ATOM 0 HA PRO A 134 1.400 -15.238 -6.227 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -0.459 -17.159 -7.627 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.912 -16.298 -8.299 1.00 0.29 H new ATOM 0 HG2 PRO A 134 1.063 -18.928 -7.819 1.00 0.52 H new ATOM 0 HG3 PRO A 134 2.456 -17.896 -7.563 1.00 0.52 H new ATOM 0 HD2 PRO A 134 0.572 -19.067 -5.516 1.00 0.33 H new ATOM 0 HD3 PRO A 134 2.307 -18.846 -5.413 1.00 0.33 H new ATOM 1990 N HIS A 135 -0.702 -14.145 -5.863 1.00 0.26 N ATOM 1991 CA HIS A 135 -1.927 -13.383 -5.586 1.00 0.31 C ATOM 1992 C HIS A 135 -2.236 -13.281 -4.090 1.00 0.32 C ATOM 1993 O HIS A 135 -3.238 -12.680 -3.710 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.134 -14.002 -6.292 1.00 0.41 C ATOM 1995 CG HIS A 135 -3.847 -13.089 -7.243 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -4.510 -11.950 -6.845 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -4.022 -13.171 -8.583 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -5.067 -11.375 -7.890 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -4.787 -12.094 -8.959 1.00 2.25 N ATOM 0 H HIS A 135 0.085 -13.564 -6.151 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.743 -12.379 -5.969 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -2.803 -14.885 -6.839 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -3.843 -14.342 -5.537 1.00 0.41 H new ATOM 0 HD1 HIS A 135 -4.562 -11.604 -5.887 1.00 1.81 H new ATOM 0 HD2 HIS A 135 -3.633 -13.940 -9.234 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -5.654 -10.468 -7.874 1.00 2.38 H new ATOM 2008 N ALA A 136 -1.396 -13.866 -3.245 1.00 0.24 N ATOM 2009 CA ALA A 136 -1.617 -13.804 -1.805 1.00 0.24 C ATOM 2010 C ALA A 136 -1.463 -12.372 -1.324 1.00 0.21 C ATOM 2011 O ALA A 136 -0.422 -11.753 -1.531 1.00 0.22 O ATOM 2012 CB ALA A 136 -0.656 -14.723 -1.068 1.00 0.26 C ATOM 0 H ALA A 136 -0.564 -14.384 -3.527 1.00 0.24 H new ATOM 0 HA ALA A 136 -2.631 -14.143 -1.592 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -0.841 -14.659 0.004 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -0.807 -15.750 -1.401 1.00 0.26 H new ATOM 0 HB3 ALA A 136 0.370 -14.420 -1.278 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.487 -11.849 -0.682 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.492 -10.449 -0.313 1.00 0.19 C ATOM 2020 C ALA A 137 -1.545 -10.204 0.856 1.00 0.16 C ATOM 2021 O ALA A 137 -1.760 -10.686 1.968 1.00 0.20 O ATOM 2022 CB ALA A 137 -3.899 -9.978 0.019 1.00 0.22 C ATOM 0 H ALA A 137 -3.321 -12.368 -0.407 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.141 -9.869 -1.166 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.874 -8.923 0.293 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.542 -10.112 -0.851 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.290 -10.560 0.853 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.489 -9.464 0.584 1.00 0.13 N ATOM 2029 CA LEU A 138 0.541 -9.196 1.564 1.00 0.12 C ATOM 2030 C LEU A 138 0.257 -7.913 2.322 1.00 0.13 C ATOM 2031 O LEU A 138 -0.052 -6.887 1.721 1.00 0.15 O ATOM 2032 CB LEU A 138 1.894 -9.093 0.875 1.00 0.13 C ATOM 2033 CG LEU A 138 2.917 -10.119 1.341 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.314 -11.505 1.287 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.177 -10.045 0.499 1.00 0.19 C ATOM 0 H LEU A 138 -0.322 -9.031 -0.324 1.00 0.13 H new ATOM 0 HA LEU A 138 0.552 -10.020 2.277 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.750 -9.204 -0.200 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.298 -8.094 1.041 1.00 0.13 H new ATOM 0 HG LEU A 138 3.193 -9.897 2.372 1.00 0.15 H new ATOM 0 HD11 LEU A 138 3.051 -12.236 1.622 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.440 -11.547 1.937 1.00 0.22 H new ATOM 0 HD13 LEU A 138 2.016 -11.733 0.263 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.894 -10.787 0.850 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.930 -10.244 -0.544 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.614 -9.050 0.585 1.00 0.19 H new ATOM 2047 N CYS A 139 0.365 -7.975 3.638 1.00 0.13 N ATOM 2048 CA CYS A 139 0.176 -6.807 4.479 1.00 0.14 C ATOM 2049 C CYS A 139 1.477 -6.495 5.200 1.00 0.13 C ATOM 2050 O CYS A 139 1.819 -7.130 6.197 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.933 -7.063 5.493 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.665 -5.564 6.193 1.00 1.20 S ATOM 0 H CYS A 139 0.584 -8.830 4.150 1.00 0.13 H new ATOM 0 HA CYS A 139 -0.110 -5.958 3.859 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.719 -7.647 5.014 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.533 -7.671 6.305 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.383 -4.968 5.288 1.00 1.20 H new ATOM 2058 N LEU A 140 2.198 -5.523 4.694 1.00 0.13 N ATOM 2059 CA LEU A 140 3.535 -5.232 5.186 1.00 0.14 C ATOM 2060 C LEU A 140 3.618 -3.847 5.794 1.00 0.13 C ATOM 2061 O LEU A 140 3.110 -2.881 5.236 1.00 0.12 O ATOM 2062 CB LEU A 140 4.534 -5.354 4.046 1.00 0.17 C ATOM 2063 CG LEU A 140 4.139 -4.616 2.774 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.177 -3.558 2.447 1.00 0.26 C ATOM 2065 CD2 LEU A 140 3.975 -5.590 1.616 1.00 0.32 C ATOM 0 H LEU A 140 1.884 -4.914 3.938 1.00 0.13 H new ATOM 0 HA LEU A 140 3.772 -5.954 5.968 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.499 -4.977 4.384 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.669 -6.410 3.811 1.00 0.17 H new ATOM 0 HG LEU A 140 3.179 -4.125 2.936 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.888 -3.034 1.536 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.243 -2.846 3.270 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.147 -4.033 2.300 1.00 0.26 H new ATOM 0 HD21 LEU A 140 3.693 -5.042 0.717 1.00 0.32 H new ATOM 0 HD22 LEU A 140 4.917 -6.111 1.443 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.198 -6.315 1.858 1.00 0.32 H new ATOM 2077 N GLU A 141 4.257 -3.758 6.942 1.00 0.14 N ATOM 2078 CA GLU A 141 4.469 -2.483 7.591 1.00 0.13 C ATOM 2079 C GLU A 141 5.881 -1.998 7.305 1.00 0.12 C ATOM 2080 O GLU A 141 6.854 -2.656 7.669 1.00 0.15 O ATOM 2081 CB GLU A 141 4.243 -2.620 9.094 1.00 0.18 C ATOM 2082 CG GLU A 141 4.497 -1.346 9.878 1.00 0.26 C ATOM 2083 CD GLU A 141 4.481 -1.587 11.371 1.00 0.30 C ATOM 2084 OE1 GLU A 141 5.415 -2.237 11.872 1.00 1.05 O ATOM 2085 OE2 GLU A 141 3.538 -1.136 12.050 1.00 1.00 O ATOM 0 H GLU A 141 4.640 -4.558 7.446 1.00 0.14 H new ATOM 0 HA GLU A 141 3.759 -1.753 7.202 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.216 -2.942 9.268 1.00 0.18 H new ATOM 0 HB3 GLU A 141 4.893 -3.406 9.478 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.461 -0.928 9.588 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.739 -0.606 9.622 1.00 0.26 H new ATOM 2092 N VAL A 142 5.986 -0.864 6.629 1.00 0.12 N ATOM 2093 CA VAL A 142 7.275 -0.317 6.254 1.00 0.12 C ATOM 2094 C VAL A 142 7.601 0.957 7.028 1.00 0.12 C ATOM 2095 O VAL A 142 6.817 1.905 7.061 1.00 0.15 O ATOM 2096 CB VAL A 142 7.362 -0.038 4.738 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.523 -1.340 3.978 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.131 0.710 4.247 1.00 0.19 C ATOM 0 H VAL A 142 5.188 -0.304 6.329 1.00 0.12 H new ATOM 0 HA VAL A 142 8.013 -1.077 6.511 1.00 0.12 H new ATOM 0 HB VAL A 142 8.233 0.591 4.557 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.583 -1.133 2.910 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.435 -1.840 4.303 1.00 0.19 H new ATOM 0 HG13 VAL A 142 6.666 -1.984 4.175 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.220 0.893 3.176 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.241 0.112 4.441 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.050 1.662 4.772 1.00 0.19 H new ATOM 2108 N THR A 143 8.747 0.943 7.683 1.00 0.13 N ATOM 2109 CA THR A 143 9.285 2.121 8.338 1.00 0.13 C ATOM 2110 C THR A 143 10.351 2.755 7.461 1.00 0.12 C ATOM 2111 O THR A 143 11.433 2.190 7.291 1.00 0.15 O ATOM 2112 CB THR A 143 9.925 1.758 9.693 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.091 0.819 10.386 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.111 3.004 10.552 1.00 0.22 C ATOM 0 H THR A 143 9.332 0.113 7.776 1.00 0.13 H new ATOM 0 HA THR A 143 8.462 2.816 8.503 1.00 0.13 H new ATOM 0 HB THR A 143 10.902 1.313 9.506 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.501 0.589 11.246 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.564 2.726 11.504 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.760 3.710 10.034 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.142 3.469 10.734 1.00 0.22 H new ATOM 2122 N LEU A 144 10.042 3.902 6.890 1.00 0.13 N ATOM 2123 CA LEU A 144 11.029 4.643 6.129 1.00 0.12 C ATOM 2124 C LEU A 144 11.869 5.448 7.094 1.00 0.12 C ATOM 2125 O LEU A 144 11.481 6.521 7.533 1.00 0.14 O ATOM 2126 CB LEU A 144 10.353 5.552 5.101 1.00 0.14 C ATOM 2127 CG LEU A 144 11.300 6.357 4.214 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.251 5.433 3.461 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.499 7.216 3.248 1.00 0.13 C ATOM 0 H LEU A 144 9.122 4.339 6.937 1.00 0.13 H new ATOM 0 HA LEU A 144 11.666 3.951 5.577 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.717 4.939 4.462 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.699 6.246 5.629 1.00 0.14 H new ATOM 0 HG LEU A 144 11.902 7.011 4.845 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.917 6.028 2.835 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.841 4.858 4.175 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.676 4.752 2.834 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.181 7.788 2.618 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.877 6.576 2.622 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.864 7.901 3.810 1.00 0.13 H new ATOM 2141 N LYS A 145 13.010 4.902 7.444 1.00 0.14 N ATOM 2142 CA LYS A 145 13.812 5.457 8.515 1.00 0.17 C ATOM 2143 C LYS A 145 14.860 6.401 7.962 1.00 0.16 C ATOM 2144 O LYS A 145 15.338 7.301 8.656 1.00 0.21 O ATOM 2145 CB LYS A 145 14.480 4.327 9.293 1.00 0.26 C ATOM 2146 CG LYS A 145 13.550 3.158 9.567 1.00 0.40 C ATOM 2147 CD LYS A 145 14.288 1.984 10.180 1.00 0.60 C ATOM 2148 CE LYS A 145 15.363 1.463 9.243 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.290 0.527 9.933 1.00 1.08 N ATOM 0 H LYS A 145 13.407 4.072 7.003 1.00 0.14 H new ATOM 0 HA LYS A 145 13.163 6.021 9.185 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.345 3.971 8.733 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.852 4.717 10.241 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.753 3.477 10.239 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.077 2.844 8.637 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.740 2.288 11.124 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.582 1.186 10.408 1.00 0.60 H new ATOM 0 HE2 LYS A 145 14.895 0.955 8.399 1.00 0.38 H new ATOM 0 HE3 LYS A 145 15.929 2.301 8.837 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.184 0.470 9.404 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.479 0.872 10.896 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 15.857 -0.417 9.983 1.00 1.08 H new ATOM 2163 N THR A 146 15.226 6.187 6.711 1.00 0.16 N ATOM 2164 CA THR A 146 16.253 6.984 6.074 1.00 0.19 C ATOM 2165 C THR A 146 16.071 6.995 4.567 1.00 0.17 C ATOM 2166 O THR A 146 15.627 6.010 3.982 1.00 0.16 O ATOM 2167 CB THR A 146 17.654 6.419 6.384 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.788 6.154 7.791 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.751 7.378 5.948 1.00 0.37 C ATOM 0 H THR A 146 14.823 5.463 6.115 1.00 0.16 H new ATOM 0 HA THR A 146 16.165 7.997 6.466 1.00 0.19 H new ATOM 0 HB THR A 146 17.761 5.490 5.823 1.00 0.25 H new ATOM 0 HG1 THR A 146 18.681 5.794 7.973 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.725 6.948 6.182 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.679 7.550 4.874 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.637 8.325 6.475 1.00 0.37 H new ATOM 2177 N ALA A 147 16.412 8.112 3.948 1.00 0.20 N ATOM 2178 CA ALA A 147 16.429 8.212 2.504 1.00 0.19 C ATOM 2179 C ALA A 147 17.639 9.022 2.080 1.00 0.22 C ATOM 2180 O ALA A 147 17.847 10.125 2.580 1.00 0.25 O ATOM 2181 CB ALA A 147 15.150 8.868 2.006 1.00 0.21 C ATOM 0 H ALA A 147 16.683 8.969 4.431 1.00 0.20 H new ATOM 0 HA ALA A 147 16.490 7.214 2.069 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.176 8.937 0.918 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.292 8.270 2.311 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.065 9.868 2.431 1.00 0.21 H new ATOM 2187 N VAL A 148 18.448 8.488 1.169 1.00 0.24 N ATOM 2188 CA VAL A 148 19.657 9.190 0.758 1.00 0.31 C ATOM 2189 C VAL A 148 19.835 9.124 -0.750 1.00 0.34 C ATOM 2190 O VAL A 148 19.579 8.093 -1.370 1.00 0.36 O ATOM 2191 CB VAL A 148 20.927 8.638 1.459 1.00 0.42 C ATOM 2192 CG1 VAL A 148 20.782 8.711 2.967 1.00 0.92 C ATOM 2193 CG2 VAL A 148 21.228 7.209 1.038 1.00 0.75 C ATOM 0 H VAL A 148 18.293 7.590 0.710 1.00 0.24 H new ATOM 0 HA VAL A 148 19.532 10.229 1.063 1.00 0.31 H new ATOM 0 HB VAL A 148 21.763 9.265 1.149 1.00 0.42 H new ATOM 0 HG11 VAL A 148 21.683 8.319 3.439 1.00 0.92 H new ATOM 0 HG12 VAL A 148 20.636 9.748 3.269 1.00 0.92 H new ATOM 0 HG13 VAL A 148 19.922 8.118 3.279 1.00 0.92 H new ATOM 0 HG21 VAL A 148 22.124 6.860 1.551 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.387 6.568 1.300 1.00 0.75 H new ATOM 0 HG23 VAL A 148 21.389 7.173 -0.039 1.00 0.75 H new