USER MOD reduce.3.24.130724 H: found=0, std=0, add=848, rem=0, adj=29 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= -0.112 K(o=-0.27,f=-1.6!) USER MOD Set 1.2: A 122 TYR OH : rot 152:sc= 0.0518 USER MOD Set 1.3: A 127 SER OG : rot -160:sc= -0.211 USER MOD Set 2.1: A 115 THR OG1 : rot 117:sc= 1.72 USER MOD Set 2.2: A 139 CYS SG : rot 74:sc= 0.651 USER MOD Set 3.1: A 93 CYS SG : rot 180:sc= 0.983 USER MOD Set 3.2: A 97 GLN : amide:sc= -1.85! K(o=-0.87!,f=2.8) USER MOD Set 4.1: A 69 HIS : no HE2:sc= -8.46! C(o=-16!,f=-13!) USER MOD Set 4.2: A 71 GLN : amide:sc= -7.16! C(o=-16!,f=-10!) USER MOD Set 5.1: A 67 THR OG1 : rot 50:sc= -1.63! USER MOD Set 5.2: A 146 THR OG1 : rot 91:sc= -0.07 USER MOD Single : A 42 ASN : amide:sc= -4.45! C(o=-4.4!,f=-10!) USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.813 (180deg=-1.64!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 57 SER OG : rot 98:sc= 0.587 USER MOD Single : A 58 SER OG : rot 180:sc= -0.0213 USER MOD Single : A 62 LYS NZ :NH3+ -127:sc= 1.24 (180deg=-1.8!) USER MOD Single : A 64 GLN : amide:sc= -5.58! K(o=-5.6!,f=-0.61) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc=-0.00245 USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,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 -95:sc= -1.34! USER MOD Single : A 106 MET CE :methyl -120:sc= -2.23 (180deg=-5.09!) USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 113 MET CE :methyl 179:sc= -1.18 (180deg=-1.24) USER MOD Single : A 118 SER OG : rot 50:sc= -0.161 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 TYR OH : rot 30:sc= -0.143 USER MOD Single : A 121 CYS SG : rot 124:sc= -1.47 USER MOD Single : A 125 GLN : amide:sc= -0.731 K(o=-0.73,f=-0.044) USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 131 TYR OH : rot 0:sc= 0 USER MOD Single : A 135 HIS : no HE2:sc= -0.789 X(o=-0.79,f=-1.3) USER MOD Single : A 143 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 LYS NZ :NH3+ -157:sc= 2.38 (180deg=0.815) USER MOD ----------------------------------------------------------------- ATOM 489 N TRP A 36 -7.931 1.430 2.369 1.00 0.53 N ATOM 490 CA TRP A 36 -7.021 2.563 2.359 1.00 0.45 C ATOM 491 C TRP A 36 -6.829 3.087 0.946 1.00 0.46 C ATOM 492 O TRP A 36 -7.491 2.644 0.007 1.00 0.52 O ATOM 493 CB TRP A 36 -5.651 2.178 2.930 1.00 0.38 C ATOM 494 CG TRP A 36 -5.682 1.090 3.966 1.00 0.34 C ATOM 495 CD1 TRP A 36 -6.577 0.929 4.987 1.00 0.39 C ATOM 496 CD2 TRP A 36 -4.738 0.027 4.090 1.00 0.27 C ATOM 497 NE1 TRP A 36 -6.261 -0.197 5.714 1.00 0.36 N ATOM 498 CE2 TRP A 36 -5.130 -0.762 5.188 1.00 0.28 C ATOM 499 CE3 TRP A 36 -3.602 -0.344 3.373 1.00 0.21 C ATOM 500 CZ2 TRP A 36 -4.416 -1.893 5.580 1.00 0.24 C ATOM 501 CZ3 TRP A 36 -2.907 -1.459 3.762 1.00 0.17 C ATOM 502 CH2 TRP A 36 -3.311 -2.223 4.853 1.00 0.19 C ATOM 0 HA TRP A 36 -7.466 3.339 2.982 1.00 0.45 H new ATOM 0 HB2 TRP A 36 -5.008 1.861 2.109 1.00 0.38 H new ATOM 0 HB3 TRP A 36 -5.194 3.065 3.369 1.00 0.38 H new ATOM 0 HD1 TRP A 36 -7.408 1.587 5.193 1.00 0.39 H new ATOM 0 HE1 TRP A 36 -6.784 -0.552 6.514 1.00 0.36 H new ATOM 0 HE3 TRP A 36 -3.275 0.238 2.524 1.00 0.21 H new ATOM 0 HZ2 TRP A 36 -4.726 -2.486 6.428 1.00 0.24 H new ATOM 0 HZ3 TRP A 36 -2.026 -1.751 3.210 1.00 0.17 H new ATOM 0 HH2 TRP A 36 -2.737 -3.095 5.129 1.00 0.19 H new ATOM 513 N LEU A 37 -5.895 4.017 0.814 1.00 0.43 N ATOM 514 CA LEU A 37 -5.557 4.612 -0.465 1.00 0.42 C ATOM 515 C LEU A 37 -4.850 3.604 -1.351 1.00 0.37 C ATOM 516 O LEU A 37 -3.721 3.200 -1.063 1.00 0.35 O ATOM 517 CB LEU A 37 -4.644 5.819 -0.246 1.00 0.45 C ATOM 518 CG LEU A 37 -4.220 6.558 -1.515 1.00 0.46 C ATOM 519 CD1 LEU A 37 -5.406 7.240 -2.162 1.00 0.49 C ATOM 520 CD2 LEU A 37 -3.128 7.567 -1.209 1.00 0.50 C ATOM 0 H LEU A 37 -5.349 4.380 1.596 1.00 0.43 H new ATOM 0 HA LEU A 37 -6.478 4.929 -0.954 1.00 0.42 H new ATOM 0 HB2 LEU A 37 -5.153 6.524 0.412 1.00 0.45 H new ATOM 0 HB3 LEU A 37 -3.748 5.485 0.277 1.00 0.45 H new ATOM 0 HG LEU A 37 -3.823 5.824 -2.217 1.00 0.46 H new ATOM 0 HD11 LEU A 37 -5.080 7.759 -3.063 1.00 0.49 H new ATOM 0 HD12 LEU A 37 -6.156 6.494 -2.424 1.00 0.49 H new ATOM 0 HD13 LEU A 37 -5.837 7.959 -1.465 1.00 0.49 H new ATOM 0 HD21 LEU A 37 -2.841 8.082 -2.126 1.00 0.50 H new ATOM 0 HD22 LEU A 37 -3.497 8.294 -0.485 1.00 0.50 H new ATOM 0 HD23 LEU A 37 -2.261 7.051 -0.796 1.00 0.50 H new ATOM 532 N ASP A 38 -5.510 3.181 -2.417 1.00 0.38 N ATOM 533 CA ASP A 38 -4.859 2.330 -3.391 1.00 0.41 C ATOM 534 C ASP A 38 -3.870 3.137 -4.209 1.00 0.39 C ATOM 535 O ASP A 38 -4.217 4.166 -4.796 1.00 0.44 O ATOM 536 CB ASP A 38 -5.853 1.638 -4.315 1.00 0.56 C ATOM 537 CG ASP A 38 -5.210 0.470 -5.042 1.00 1.78 C ATOM 538 OD1 ASP A 38 -4.518 0.700 -6.049 1.00 2.14 O ATOM 539 OD2 ASP A 38 -5.394 -0.688 -4.615 1.00 2.51 O ATOM 0 H ASP A 38 -6.482 3.410 -2.626 1.00 0.38 H new ATOM 0 HA ASP A 38 -4.333 1.552 -2.838 1.00 0.41 H new ATOM 0 HB2 ASP A 38 -6.705 1.284 -3.736 1.00 0.56 H new ATOM 0 HB3 ASP A 38 -6.237 2.354 -5.041 1.00 0.56 H new ATOM 544 N ILE A 39 -2.639 2.656 -4.223 1.00 0.38 N ATOM 545 CA ILE A 39 -1.538 3.281 -4.936 1.00 0.38 C ATOM 546 C ILE A 39 -1.854 3.456 -6.417 1.00 0.39 C ATOM 547 O ILE A 39 -1.421 4.424 -7.050 1.00 0.46 O ATOM 548 CB ILE A 39 -0.264 2.426 -4.768 1.00 0.39 C ATOM 549 CG1 ILE A 39 0.029 2.252 -3.275 1.00 0.40 C ATOM 550 CG2 ILE A 39 0.919 3.036 -5.504 1.00 0.41 C ATOM 551 CD1 ILE A 39 1.428 1.765 -2.968 1.00 0.43 C ATOM 0 H ILE A 39 -2.371 1.804 -3.730 1.00 0.38 H new ATOM 0 HA ILE A 39 -1.379 4.272 -4.512 1.00 0.38 H new ATOM 0 HB ILE A 39 -0.432 1.445 -5.213 1.00 0.39 H new ATOM 0 HG12 ILE A 39 -0.130 3.206 -2.772 1.00 0.40 H new ATOM 0 HG13 ILE A 39 -0.689 1.547 -2.856 1.00 0.40 H new ATOM 0 HG21 ILE A 39 1.798 2.407 -5.364 1.00 0.41 H new ATOM 0 HG22 ILE A 39 0.689 3.106 -6.567 1.00 0.41 H new ATOM 0 HG23 ILE A 39 1.119 4.032 -5.109 1.00 0.41 H new ATOM 0 HD11 ILE A 39 1.551 1.669 -1.889 1.00 0.43 H new ATOM 0 HD12 ILE A 39 1.587 0.795 -3.439 1.00 0.43 H new ATOM 0 HD13 ILE A 39 2.155 2.480 -3.354 1.00 0.43 H new ATOM 563 N LEU A 40 -2.624 2.529 -6.961 1.00 0.39 N ATOM 564 CA LEU A 40 -2.983 2.577 -8.368 1.00 0.49 C ATOM 565 C LEU A 40 -4.479 2.804 -8.524 1.00 0.49 C ATOM 566 O LEU A 40 -4.989 2.917 -9.639 1.00 0.62 O ATOM 567 CB LEU A 40 -2.574 1.272 -9.059 1.00 0.56 C ATOM 568 CG LEU A 40 -1.090 0.902 -8.946 1.00 0.59 C ATOM 569 CD1 LEU A 40 -0.817 -0.395 -9.683 1.00 0.62 C ATOM 570 CD2 LEU A 40 -0.219 2.014 -9.504 1.00 0.72 C ATOM 0 H LEU A 40 -3.012 1.735 -6.451 1.00 0.39 H new ATOM 0 HA LEU A 40 -2.453 3.407 -8.836 1.00 0.49 H new ATOM 0 HB2 LEU A 40 -3.166 0.458 -8.640 1.00 0.56 H new ATOM 0 HB3 LEU A 40 -2.833 1.344 -10.115 1.00 0.56 H new ATOM 0 HG LEU A 40 -0.847 0.768 -7.892 1.00 0.59 H new ATOM 0 HD11 LEU A 40 0.240 -0.648 -9.596 1.00 0.62 H new ATOM 0 HD12 LEU A 40 -1.418 -1.194 -9.249 1.00 0.62 H new ATOM 0 HD13 LEU A 40 -1.076 -0.277 -10.735 1.00 0.62 H new ATOM 0 HD21 LEU A 40 0.831 1.733 -9.415 1.00 0.72 H new ATOM 0 HD22 LEU A 40 -0.464 2.176 -10.554 1.00 0.72 H new ATOM 0 HD23 LEU A 40 -0.398 2.932 -8.944 1.00 0.72 H new ATOM 582 N GLY A 41 -5.169 2.878 -7.395 1.00 0.43 N ATOM 583 CA GLY A 41 -6.616 2.925 -7.404 1.00 0.51 C ATOM 584 C GLY A 41 -7.200 1.678 -8.036 1.00 0.45 C ATOM 585 O GLY A 41 -8.305 1.694 -8.576 1.00 0.52 O ATOM 0 H GLY A 41 -4.748 2.906 -6.466 1.00 0.43 H new ATOM 0 HA2 GLY A 41 -6.986 3.026 -6.384 1.00 0.51 H new ATOM 0 HA3 GLY A 41 -6.951 3.805 -7.953 1.00 0.51 H new ATOM 589 N ASN A 42 -6.440 0.591 -7.958 1.00 0.39 N ATOM 590 CA ASN A 42 -6.821 -0.664 -8.589 1.00 0.42 C ATOM 591 C ASN A 42 -7.627 -1.531 -7.619 1.00 0.43 C ATOM 592 O ASN A 42 -8.544 -2.239 -8.025 1.00 0.56 O ATOM 593 CB ASN A 42 -5.567 -1.398 -9.100 1.00 0.49 C ATOM 594 CG ASN A 42 -4.957 -2.364 -8.098 1.00 0.55 C ATOM 595 OD1 ASN A 42 -5.202 -3.561 -8.160 1.00 0.95 O ATOM 596 ND2 ASN A 42 -4.184 -1.848 -7.154 1.00 0.44 N ATOM 0 H ASN A 42 -5.551 0.556 -7.460 1.00 0.39 H new ATOM 0 HA ASN A 42 -7.461 -0.453 -9.446 1.00 0.42 H new ATOM 0 HB2 ASN A 42 -5.825 -1.947 -10.006 1.00 0.49 H new ATOM 0 HB3 ASN A 42 -4.816 -0.659 -9.378 1.00 0.49 H new ATOM 0 HD21 ASN A 42 -3.770 -2.454 -6.446 1.00 0.44 H new ATOM 0 HD22 ASN A 42 -4.003 -0.844 -7.135 1.00 0.44 H new ATOM 603 N GLY A 43 -7.287 -1.458 -6.337 1.00 0.40 N ATOM 604 CA GLY A 43 -8.053 -2.156 -5.321 1.00 0.50 C ATOM 605 C GLY A 43 -7.256 -3.235 -4.616 1.00 0.45 C ATOM 606 O GLY A 43 -7.738 -3.860 -3.672 1.00 0.72 O ATOM 0 H GLY A 43 -6.492 -0.926 -5.982 1.00 0.40 H new ATOM 0 HA2 GLY A 43 -8.410 -1.436 -4.585 1.00 0.50 H new ATOM 0 HA3 GLY A 43 -8.933 -2.604 -5.782 1.00 0.50 H new ATOM 610 N LEU A 44 -6.031 -3.447 -5.070 1.00 0.29 N ATOM 611 CA LEU A 44 -5.187 -4.522 -4.551 1.00 0.36 C ATOM 612 C LEU A 44 -3.989 -3.980 -3.774 1.00 0.25 C ATOM 613 O LEU A 44 -3.465 -4.648 -2.885 1.00 0.27 O ATOM 614 CB LEU A 44 -4.667 -5.391 -5.701 1.00 0.60 C ATOM 615 CG LEU A 44 -5.638 -6.422 -6.289 1.00 0.51 C ATOM 616 CD1 LEU A 44 -6.033 -7.447 -5.242 1.00 1.46 C ATOM 617 CD2 LEU A 44 -6.870 -5.764 -6.888 1.00 1.56 C ATOM 0 H LEU A 44 -5.593 -2.887 -5.802 1.00 0.29 H new ATOM 0 HA LEU A 44 -5.805 -5.114 -3.876 1.00 0.36 H new ATOM 0 HB2 LEU A 44 -4.346 -4.730 -6.506 1.00 0.60 H new ATOM 0 HB3 LEU A 44 -3.781 -5.921 -5.351 1.00 0.60 H new ATOM 0 HG LEU A 44 -5.117 -6.934 -7.098 1.00 0.51 H new ATOM 0 HD11 LEU A 44 -6.722 -8.168 -5.681 1.00 1.46 H new ATOM 0 HD12 LEU A 44 -5.143 -7.966 -4.886 1.00 1.46 H new ATOM 0 HD13 LEU A 44 -6.518 -6.944 -4.406 1.00 1.46 H new ATOM 0 HD21 LEU A 44 -7.531 -6.530 -7.293 1.00 1.56 H new ATOM 0 HD22 LEU A 44 -7.395 -5.203 -6.115 1.00 1.56 H new ATOM 0 HD23 LEU A 44 -6.568 -5.086 -7.686 1.00 1.56 H new ATOM 629 N LEU A 45 -3.559 -2.780 -4.123 1.00 0.23 N ATOM 630 CA LEU A 45 -2.316 -2.219 -3.607 1.00 0.22 C ATOM 631 C LEU A 45 -2.581 -0.910 -2.861 1.00 0.22 C ATOM 632 O LEU A 45 -2.738 0.137 -3.472 1.00 0.32 O ATOM 633 CB LEU A 45 -1.346 -2.025 -4.781 1.00 0.30 C ATOM 634 CG LEU A 45 -0.144 -1.116 -4.531 1.00 0.26 C ATOM 635 CD1 LEU A 45 0.685 -1.625 -3.366 1.00 0.28 C ATOM 636 CD2 LEU A 45 0.706 -1.030 -5.785 1.00 0.31 C ATOM 0 H LEU A 45 -4.057 -2.167 -4.769 1.00 0.23 H new ATOM 0 HA LEU A 45 -1.866 -2.901 -2.886 1.00 0.22 H new ATOM 0 HB2 LEU A 45 -0.976 -3.005 -5.082 1.00 0.30 H new ATOM 0 HB3 LEU A 45 -1.908 -1.623 -5.624 1.00 0.30 H new ATOM 0 HG LEU A 45 -0.508 -0.120 -4.277 1.00 0.26 H new ATOM 0 HD11 LEU A 45 1.535 -0.962 -3.207 1.00 0.28 H new ATOM 0 HD12 LEU A 45 0.071 -1.650 -2.466 1.00 0.28 H new ATOM 0 HD13 LEU A 45 1.045 -2.630 -3.587 1.00 0.28 H new ATOM 0 HD21 LEU A 45 1.562 -0.380 -5.601 1.00 0.31 H new ATOM 0 HD22 LEU A 45 1.058 -2.026 -6.055 1.00 0.31 H new ATOM 0 HD23 LEU A 45 0.110 -0.622 -6.601 1.00 0.31 H new ATOM 648 N ARG A 46 -2.614 -0.972 -1.537 1.00 0.20 N ATOM 649 CA ARG A 46 -3.038 0.170 -0.726 1.00 0.22 C ATOM 650 C ARG A 46 -2.080 0.423 0.430 1.00 0.19 C ATOM 651 O ARG A 46 -1.606 -0.514 1.061 1.00 0.19 O ATOM 652 CB ARG A 46 -4.432 -0.110 -0.178 1.00 0.25 C ATOM 653 CG ARG A 46 -5.477 -0.243 -1.260 1.00 0.36 C ATOM 654 CD ARG A 46 -6.819 -0.656 -0.694 1.00 0.37 C ATOM 655 NE ARG A 46 -6.750 -1.966 -0.036 1.00 0.54 N ATOM 656 CZ ARG A 46 -7.774 -2.539 0.594 1.00 0.75 C ATOM 657 NH1 ARG A 46 -8.970 -1.970 0.575 1.00 1.14 N ATOM 658 NH2 ARG A 46 -7.603 -3.691 1.234 1.00 0.99 N ATOM 0 H ARG A 46 -2.353 -1.798 -0.999 1.00 0.20 H new ATOM 0 HA ARG A 46 -3.043 1.060 -1.356 1.00 0.22 H new ATOM 0 HB2 ARG A 46 -4.407 -1.027 0.410 1.00 0.25 H new ATOM 0 HB3 ARG A 46 -4.718 0.695 0.499 1.00 0.25 H new ATOM 0 HG2 ARG A 46 -5.580 0.707 -1.785 1.00 0.36 H new ATOM 0 HG3 ARG A 46 -5.149 -0.979 -1.994 1.00 0.36 H new ATOM 0 HD2 ARG A 46 -7.159 0.093 0.021 1.00 0.37 H new ATOM 0 HD3 ARG A 46 -7.557 -0.689 -1.495 1.00 0.37 H new ATOM 0 HE ARG A 46 -5.863 -2.469 -0.063 1.00 0.54 H new ATOM 0 HH11 ARG A 46 -9.109 -1.091 0.077 1.00 1.14 H new ATOM 0 HH12 ARG A 46 -9.752 -2.411 1.058 1.00 1.14 H new ATOM 0 HH21 ARG A 46 -6.686 -4.138 1.243 1.00 0.99 H new ATOM 0 HH22 ARG A 46 -8.389 -4.128 1.716 1.00 0.99 H new ATOM 672 N LYS A 47 -1.831 1.692 0.723 1.00 0.20 N ATOM 673 CA LYS A 47 -0.892 2.079 1.771 1.00 0.17 C ATOM 674 C LYS A 47 -1.633 2.773 2.916 1.00 0.18 C ATOM 675 O LYS A 47 -2.323 3.764 2.687 1.00 0.22 O ATOM 676 CB LYS A 47 0.141 3.046 1.184 1.00 0.23 C ATOM 677 CG LYS A 47 1.421 3.149 1.993 1.00 0.25 C ATOM 678 CD LYS A 47 2.157 4.442 1.714 1.00 0.32 C ATOM 679 CE LYS A 47 1.458 5.634 2.363 1.00 0.20 C ATOM 680 NZ LYS A 47 2.399 6.750 2.662 1.00 0.35 N ATOM 0 H LYS A 47 -2.270 2.479 0.245 1.00 0.20 H new ATOM 0 HA LYS A 47 -0.398 1.186 2.155 1.00 0.17 H new ATOM 0 HB2 LYS A 47 0.388 2.727 0.172 1.00 0.23 H new ATOM 0 HB3 LYS A 47 -0.307 4.036 1.105 1.00 0.23 H new ATOM 0 HG2 LYS A 47 1.186 3.086 3.056 1.00 0.25 H new ATOM 0 HG3 LYS A 47 2.068 2.304 1.759 1.00 0.25 H new ATOM 0 HD2 LYS A 47 3.178 4.369 2.089 1.00 0.32 H new ATOM 0 HD3 LYS A 47 2.223 4.599 0.637 1.00 0.32 H new ATOM 0 HE2 LYS A 47 0.670 5.994 1.701 1.00 0.20 H new ATOM 0 HE3 LYS A 47 0.977 5.311 3.286 1.00 0.20 H new ATOM 0 HZ1 LYS A 47 1.864 7.634 2.776 1.00 0.35 H new ATOM 0 HZ2 LYS A 47 2.916 6.542 3.540 1.00 0.35 H new ATOM 0 HZ3 LYS A 47 3.075 6.853 1.879 1.00 0.35 H new ATOM 694 N LYS A 48 -1.497 2.261 4.140 1.00 0.16 N ATOM 695 CA LYS A 48 -2.085 2.924 5.304 1.00 0.18 C ATOM 696 C LYS A 48 -1.007 3.645 6.089 1.00 0.17 C ATOM 697 O LYS A 48 -0.072 3.017 6.591 1.00 0.22 O ATOM 698 CB LYS A 48 -2.778 1.948 6.256 1.00 0.25 C ATOM 699 CG LYS A 48 -3.530 2.665 7.378 1.00 0.32 C ATOM 700 CD LYS A 48 -3.816 1.767 8.576 1.00 0.69 C ATOM 701 CE LYS A 48 -4.516 0.492 8.164 1.00 0.52 C ATOM 702 NZ LYS A 48 -5.430 -0.018 9.220 1.00 1.07 N ATOM 0 H LYS A 48 -0.991 1.400 4.350 1.00 0.16 H new ATOM 0 HA LYS A 48 -2.830 3.619 4.915 1.00 0.18 H new ATOM 0 HB2 LYS A 48 -3.476 1.328 5.693 1.00 0.25 H new ATOM 0 HB3 LYS A 48 -2.035 1.278 6.690 1.00 0.25 H new ATOM 0 HG2 LYS A 48 -2.946 3.524 7.707 1.00 0.32 H new ATOM 0 HG3 LYS A 48 -4.472 3.050 6.987 1.00 0.32 H new ATOM 0 HD2 LYS A 48 -2.880 1.522 9.079 1.00 0.69 H new ATOM 0 HD3 LYS A 48 -4.433 2.305 9.295 1.00 0.69 H new ATOM 0 HE2 LYS A 48 -5.084 0.671 7.251 1.00 0.52 H new ATOM 0 HE3 LYS A 48 -3.772 -0.270 7.932 1.00 0.52 H new ATOM 0 HZ1 LYS A 48 -5.886 -0.893 8.891 1.00 1.07 H new ATOM 0 HZ2 LYS A 48 -4.886 -0.215 10.084 1.00 1.07 H new ATOM 0 HZ3 LYS A 48 -6.158 0.696 9.424 1.00 1.07 H new ATOM 716 N THR A 49 -1.148 4.946 6.199 1.00 0.18 N ATOM 717 CA THR A 49 -0.250 5.750 6.997 1.00 0.20 C ATOM 718 C THR A 49 -0.558 5.582 8.479 1.00 0.21 C ATOM 719 O THR A 49 -1.475 6.208 9.009 1.00 0.29 O ATOM 720 CB THR A 49 -0.370 7.231 6.597 1.00 0.25 C ATOM 721 OG1 THR A 49 -1.734 7.532 6.269 1.00 0.33 O ATOM 722 CG2 THR A 49 0.519 7.541 5.404 1.00 0.25 C ATOM 0 H THR A 49 -1.887 5.477 5.739 1.00 0.18 H new ATOM 0 HA THR A 49 0.771 5.415 6.815 1.00 0.20 H new ATOM 0 HB THR A 49 -0.049 7.844 7.439 1.00 0.25 H new ATOM 0 HG1 THR A 49 -1.809 8.476 6.016 1.00 0.33 H new ATOM 0 HG21 THR A 49 0.418 8.593 5.139 1.00 0.25 H new ATOM 0 HG22 THR A 49 1.557 7.329 5.659 1.00 0.25 H new ATOM 0 HG23 THR A 49 0.220 6.923 4.557 1.00 0.25 H new ATOM 730 N LEU A 50 0.190 4.699 9.137 1.00 0.18 N ATOM 731 CA LEU A 50 0.075 4.547 10.581 1.00 0.21 C ATOM 732 C LEU A 50 0.506 5.860 11.197 1.00 0.23 C ATOM 733 O LEU A 50 -0.195 6.474 11.996 1.00 0.28 O ATOM 734 CB LEU A 50 0.993 3.431 11.073 1.00 0.21 C ATOM 735 CG LEU A 50 0.996 2.168 10.216 1.00 0.20 C ATOM 736 CD1 LEU A 50 2.149 1.269 10.611 1.00 0.21 C ATOM 737 CD2 LEU A 50 -0.327 1.438 10.337 1.00 0.24 C ATOM 0 H LEU A 50 0.875 4.085 8.697 1.00 0.18 H new ATOM 0 HA LEU A 50 -0.948 4.292 10.859 1.00 0.21 H new ATOM 0 HB2 LEU A 50 2.011 3.817 11.127 1.00 0.21 H new ATOM 0 HB3 LEU A 50 0.700 3.162 12.088 1.00 0.21 H new ATOM 0 HG LEU A 50 1.127 2.454 9.173 1.00 0.20 H new ATOM 0 HD11 LEU A 50 2.139 0.372 9.992 1.00 0.21 H new ATOM 0 HD12 LEU A 50 3.090 1.800 10.466 1.00 0.21 H new ATOM 0 HD13 LEU A 50 2.048 0.988 11.659 1.00 0.21 H new ATOM 0 HD21 LEU A 50 -0.305 0.541 9.719 1.00 0.24 H new ATOM 0 HD22 LEU A 50 -0.494 1.158 11.377 1.00 0.24 H new ATOM 0 HD23 LEU A 50 -1.134 2.090 10.002 1.00 0.24 H new ATOM 749 N VAL A 51 1.690 6.262 10.779 1.00 0.23 N ATOM 750 CA VAL A 51 2.220 7.588 11.005 1.00 0.27 C ATOM 751 C VAL A 51 2.762 8.053 9.682 1.00 0.24 C ATOM 752 O VAL A 51 3.499 7.308 9.062 1.00 0.23 O ATOM 753 CB VAL A 51 3.373 7.581 12.014 1.00 0.30 C ATOM 754 CG1 VAL A 51 3.954 8.975 12.192 1.00 0.36 C ATOM 755 CG2 VAL A 51 2.913 7.011 13.339 1.00 0.36 C ATOM 0 H VAL A 51 2.326 5.657 10.259 1.00 0.23 H new ATOM 0 HA VAL A 51 1.435 8.232 11.402 1.00 0.27 H new ATOM 0 HB VAL A 51 4.164 6.942 11.622 1.00 0.30 H new ATOM 0 HG11 VAL A 51 4.770 8.940 12.914 1.00 0.36 H new ATOM 0 HG12 VAL A 51 4.331 9.337 11.235 1.00 0.36 H new ATOM 0 HG13 VAL A 51 3.178 9.649 12.555 1.00 0.36 H new ATOM 0 HG21 VAL A 51 3.744 7.013 14.044 1.00 0.36 H new ATOM 0 HG22 VAL A 51 2.100 7.620 13.734 1.00 0.36 H new ATOM 0 HG23 VAL A 51 2.563 5.989 13.194 1.00 0.36 H new ATOM 765 N PRO A 52 2.363 9.225 9.198 1.00 0.29 N ATOM 766 CA PRO A 52 2.787 9.731 7.906 1.00 0.32 C ATOM 767 C PRO A 52 3.798 10.873 7.974 1.00 0.34 C ATOM 768 O PRO A 52 3.568 11.954 7.422 1.00 0.54 O ATOM 769 CB PRO A 52 1.454 10.205 7.379 1.00 0.41 C ATOM 770 CG PRO A 52 0.747 10.770 8.582 1.00 0.46 C ATOM 771 CD PRO A 52 1.378 10.130 9.800 1.00 0.37 C ATOM 0 HA PRO A 52 3.316 8.995 7.301 1.00 0.32 H new ATOM 0 HB2 PRO A 52 1.581 10.960 6.603 1.00 0.41 H new ATOM 0 HB3 PRO A 52 0.889 9.385 6.936 1.00 0.41 H new ATOM 0 HG2 PRO A 52 0.851 11.854 8.618 1.00 0.46 H new ATOM 0 HG3 PRO A 52 -0.320 10.553 8.540 1.00 0.46 H new ATOM 0 HD2 PRO A 52 1.847 10.868 10.451 1.00 0.37 H new ATOM 0 HD3 PRO A 52 0.646 9.593 10.403 1.00 0.37 H new ATOM 779 N GLY A 53 4.918 10.621 8.639 1.00 0.24 N ATOM 780 CA GLY A 53 6.007 11.571 8.655 1.00 0.28 C ATOM 781 C GLY A 53 5.827 12.665 9.680 1.00 0.29 C ATOM 782 O GLY A 53 4.763 13.279 9.763 1.00 0.55 O ATOM 0 H GLY A 53 5.090 9.768 9.171 1.00 0.24 H new ATOM 0 HA2 GLY A 53 6.939 11.043 8.857 1.00 0.28 H new ATOM 0 HA3 GLY A 53 6.103 12.020 7.667 1.00 0.28 H new ATOM 821 N SER A 57 9.013 16.499 6.990 1.00 0.52 N ATOM 822 CA SER A 57 9.574 15.381 6.287 1.00 0.40 C ATOM 823 C SER A 57 9.693 15.670 4.792 1.00 0.34 C ATOM 824 O SER A 57 9.494 16.798 4.341 1.00 0.43 O ATOM 825 CB SER A 57 8.673 14.179 6.514 1.00 0.40 C ATOM 826 OG SER A 57 7.311 14.572 6.552 1.00 0.99 O ATOM 0 HA SER A 57 10.578 15.185 6.663 1.00 0.40 H new ATOM 0 HB2 SER A 57 8.824 13.450 5.718 1.00 0.40 H new ATOM 0 HB3 SER A 57 8.941 13.689 7.450 1.00 0.40 H new ATOM 0 HG SER A 57 6.903 14.423 5.674 1.00 0.99 H new ATOM 832 N SER A 58 10.025 14.641 4.035 1.00 0.28 N ATOM 833 CA SER A 58 10.127 14.731 2.590 1.00 0.30 C ATOM 834 C SER A 58 9.878 13.357 1.996 1.00 0.27 C ATOM 835 O SER A 58 10.248 12.353 2.599 1.00 0.38 O ATOM 836 CB SER A 58 11.521 15.226 2.191 1.00 0.38 C ATOM 837 OG SER A 58 11.781 16.515 2.724 1.00 1.28 O ATOM 0 H SER A 58 10.233 13.714 4.407 1.00 0.28 H new ATOM 0 HA SER A 58 9.387 15.437 2.213 1.00 0.30 H new ATOM 0 HB2 SER A 58 12.275 14.524 2.547 1.00 0.38 H new ATOM 0 HB3 SER A 58 11.602 15.256 1.104 1.00 0.38 H new ATOM 0 HG SER A 58 12.678 16.805 2.455 1.00 1.28 H new ATOM 843 N ARG A 59 9.235 13.299 0.846 1.00 0.32 N ATOM 844 CA ARG A 59 9.021 12.036 0.171 1.00 0.30 C ATOM 845 C ARG A 59 10.149 11.780 -0.814 1.00 0.27 C ATOM 846 O ARG A 59 10.272 12.489 -1.818 1.00 0.34 O ATOM 847 CB ARG A 59 7.682 12.046 -0.556 1.00 0.42 C ATOM 848 CG ARG A 59 6.497 12.272 0.362 1.00 0.64 C ATOM 849 CD ARG A 59 5.185 12.155 -0.393 1.00 0.68 C ATOM 850 NE ARG A 59 4.961 13.282 -1.302 1.00 1.41 N ATOM 851 CZ ARG A 59 4.687 13.151 -2.602 1.00 1.81 C ATOM 852 NH1 ARG A 59 4.755 11.959 -3.186 1.00 1.78 N ATOM 853 NH2 ARG A 59 4.383 14.224 -3.322 1.00 2.81 N ATOM 0 H ARG A 59 8.853 14.111 0.361 1.00 0.32 H new ATOM 0 HA ARG A 59 9.008 11.237 0.912 1.00 0.30 H new ATOM 0 HB2 ARG A 59 7.696 12.827 -1.317 1.00 0.42 H new ATOM 0 HB3 ARG A 59 7.553 11.097 -1.076 1.00 0.42 H new ATOM 0 HG2 ARG A 59 6.519 11.544 1.173 1.00 0.64 H new ATOM 0 HG3 ARG A 59 6.570 13.259 0.818 1.00 0.64 H new ATOM 0 HD2 ARG A 59 5.178 11.226 -0.962 1.00 0.68 H new ATOM 0 HD3 ARG A 59 4.363 12.098 0.320 1.00 0.68 H new ATOM 0 HE ARG A 59 5.018 14.225 -0.918 1.00 1.41 H new ATOM 0 HH11 ARG A 59 5.018 11.138 -2.641 1.00 1.78 H new ATOM 0 HH12 ARG A 59 4.544 11.865 -4.180 1.00 1.78 H new ATOM 0 HH21 ARG A 59 4.359 15.144 -2.882 1.00 2.81 H new ATOM 0 HH22 ARG A 59 4.173 14.129 -4.316 1.00 2.81 H new ATOM 867 N PRO A 60 11.013 10.791 -0.516 1.00 0.23 N ATOM 868 CA PRO A 60 12.158 10.442 -1.358 1.00 0.26 C ATOM 869 C PRO A 60 11.809 10.313 -2.838 1.00 0.26 C ATOM 870 O PRO A 60 10.746 9.805 -3.208 1.00 0.28 O ATOM 871 CB PRO A 60 12.623 9.086 -0.805 1.00 0.30 C ATOM 872 CG PRO A 60 11.579 8.669 0.179 1.00 0.28 C ATOM 873 CD PRO A 60 10.958 9.937 0.678 1.00 0.21 C ATOM 0 HA PRO A 60 12.917 11.223 -1.321 1.00 0.26 H new ATOM 0 HB2 PRO A 60 12.723 8.351 -1.604 1.00 0.30 H new ATOM 0 HB3 PRO A 60 13.599 9.172 -0.327 1.00 0.30 H new ATOM 0 HG2 PRO A 60 10.834 8.027 -0.290 1.00 0.28 H new ATOM 0 HG3 PRO A 60 12.019 8.100 0.998 1.00 0.28 H new ATOM 0 HD2 PRO A 60 9.936 9.783 1.023 1.00 0.21 H new ATOM 0 HD3 PRO A 60 11.515 10.364 1.512 1.00 0.21 H new ATOM 881 N VAL A 61 12.716 10.784 -3.679 1.00 0.29 N ATOM 882 CA VAL A 61 12.541 10.700 -5.119 1.00 0.31 C ATOM 883 C VAL A 61 13.129 9.387 -5.626 1.00 0.28 C ATOM 884 O VAL A 61 14.015 8.812 -4.990 1.00 0.27 O ATOM 885 CB VAL A 61 13.223 11.885 -5.844 1.00 0.40 C ATOM 886 CG1 VAL A 61 12.800 11.950 -7.306 1.00 0.81 C ATOM 887 CG2 VAL A 61 12.918 13.198 -5.135 1.00 0.88 C ATOM 0 H VAL A 61 13.585 11.231 -3.386 1.00 0.29 H new ATOM 0 HA VAL A 61 11.473 10.742 -5.334 1.00 0.31 H new ATOM 0 HB VAL A 61 14.300 11.722 -5.814 1.00 0.40 H new ATOM 0 HG11 VAL A 61 13.294 12.792 -7.791 1.00 0.81 H new ATOM 0 HG12 VAL A 61 13.083 11.025 -7.808 1.00 0.81 H new ATOM 0 HG13 VAL A 61 11.719 12.080 -7.367 1.00 0.81 H new ATOM 0 HG21 VAL A 61 13.407 14.018 -5.661 1.00 0.88 H new ATOM 0 HG22 VAL A 61 11.841 13.364 -5.125 1.00 0.88 H new ATOM 0 HG23 VAL A 61 13.288 13.153 -4.111 1.00 0.88 H new ATOM 897 N LYS A 62 12.626 8.905 -6.750 1.00 0.27 N ATOM 898 CA LYS A 62 13.140 7.685 -7.348 1.00 0.27 C ATOM 899 C LYS A 62 14.588 7.856 -7.763 1.00 0.25 C ATOM 900 O LYS A 62 14.907 8.529 -8.740 1.00 0.31 O ATOM 901 CB LYS A 62 12.271 7.219 -8.517 1.00 0.30 C ATOM 902 CG LYS A 62 10.891 6.761 -8.078 1.00 0.37 C ATOM 903 CD LYS A 62 10.342 5.719 -9.030 1.00 0.41 C ATOM 904 CE LYS A 62 9.015 5.157 -8.555 1.00 0.60 C ATOM 905 NZ LYS A 62 8.696 3.861 -9.216 1.00 1.17 N ATOM 0 H LYS A 62 11.862 9.340 -7.267 1.00 0.27 H new ATOM 0 HA LYS A 62 13.100 6.902 -6.591 1.00 0.27 H new ATOM 0 HB2 LYS A 62 12.168 8.033 -9.234 1.00 0.30 H new ATOM 0 HB3 LYS A 62 12.773 6.401 -9.034 1.00 0.30 H new ATOM 0 HG2 LYS A 62 10.943 6.348 -7.071 1.00 0.37 H new ATOM 0 HG3 LYS A 62 10.215 7.615 -8.038 1.00 0.37 H new ATOM 0 HD2 LYS A 62 10.215 6.162 -10.018 1.00 0.41 H new ATOM 0 HD3 LYS A 62 11.063 4.908 -9.134 1.00 0.41 H new ATOM 0 HE2 LYS A 62 9.045 5.016 -7.475 1.00 0.60 H new ATOM 0 HE3 LYS A 62 8.221 5.875 -8.761 1.00 0.60 H new ATOM 0 HZ1 LYS A 62 7.748 3.912 -9.641 1.00 1.17 H new ATOM 0 HZ2 LYS A 62 9.399 3.668 -9.958 1.00 1.17 H new ATOM 0 HZ3 LYS A 62 8.718 3.097 -8.511 1.00 1.17 H new ATOM 919 N GLY A 63 15.451 7.234 -6.981 1.00 0.25 N ATOM 920 CA GLY A 63 16.869 7.361 -7.164 1.00 0.27 C ATOM 921 C GLY A 63 17.567 7.391 -5.825 1.00 0.30 C ATOM 922 O GLY A 63 18.713 6.968 -5.692 1.00 0.42 O ATOM 0 H GLY A 63 15.181 6.630 -6.205 1.00 0.25 H new ATOM 0 HA2 GLY A 63 17.242 6.527 -7.758 1.00 0.27 H new ATOM 0 HA3 GLY A 63 17.091 8.273 -7.719 1.00 0.27 H new ATOM 926 N GLN A 64 16.866 7.884 -4.815 1.00 0.26 N ATOM 927 CA GLN A 64 17.437 7.946 -3.476 1.00 0.28 C ATOM 928 C GLN A 64 17.348 6.574 -2.842 1.00 0.24 C ATOM 929 O GLN A 64 16.282 5.954 -2.848 1.00 0.24 O ATOM 930 CB GLN A 64 16.715 8.975 -2.586 1.00 0.30 C ATOM 931 CG GLN A 64 16.059 10.143 -3.325 1.00 0.36 C ATOM 932 CD GLN A 64 16.998 11.030 -4.141 1.00 0.44 C ATOM 933 OE1 GLN A 64 16.747 12.224 -4.291 1.00 0.59 O ATOM 934 NE2 GLN A 64 18.060 10.471 -4.694 1.00 0.43 N ATOM 0 H GLN A 64 15.914 8.243 -4.893 1.00 0.26 H new ATOM 0 HA GLN A 64 18.476 8.263 -3.564 1.00 0.28 H new ATOM 0 HB2 GLN A 64 15.949 8.456 -2.010 1.00 0.30 H new ATOM 0 HB3 GLN A 64 17.433 9.378 -1.871 1.00 0.30 H new ATOM 0 HG2 GLN A 64 15.297 9.742 -3.994 1.00 0.36 H new ATOM 0 HG3 GLN A 64 15.545 10.767 -2.594 1.00 0.36 H new ATOM 0 HE21 GLN A 64 18.245 9.478 -4.553 1.00 0.43 H new ATOM 0 HE22 GLN A 64 18.695 11.033 -5.261 1.00 0.43 H new ATOM 943 N VAL A 65 18.461 6.075 -2.337 1.00 0.28 N ATOM 944 CA VAL A 65 18.424 4.824 -1.619 1.00 0.31 C ATOM 945 C VAL A 65 17.891 5.097 -0.227 1.00 0.25 C ATOM 946 O VAL A 65 18.320 6.032 0.449 1.00 0.32 O ATOM 947 CB VAL A 65 19.793 4.099 -1.561 1.00 0.49 C ATOM 948 CG1 VAL A 65 20.447 4.065 -2.930 1.00 1.22 C ATOM 949 CG2 VAL A 65 20.728 4.718 -0.540 1.00 1.05 C ATOM 0 H VAL A 65 19.381 6.509 -2.410 1.00 0.28 H new ATOM 0 HA VAL A 65 17.768 4.141 -2.159 1.00 0.31 H new ATOM 0 HB VAL A 65 19.596 3.076 -1.242 1.00 0.49 H new ATOM 0 HG11 VAL A 65 21.406 3.551 -2.862 1.00 1.22 H new ATOM 0 HG12 VAL A 65 19.800 3.535 -3.629 1.00 1.22 H new ATOM 0 HG13 VAL A 65 20.605 5.084 -3.283 1.00 1.22 H new ATOM 0 HG21 VAL A 65 21.673 4.176 -0.537 1.00 1.05 H new ATOM 0 HG22 VAL A 65 20.909 5.761 -0.798 1.00 1.05 H new ATOM 0 HG23 VAL A 65 20.274 4.662 0.450 1.00 1.05 H new ATOM 959 N VAL A 66 16.916 4.328 0.173 1.00 0.19 N ATOM 960 CA VAL A 66 16.235 4.570 1.425 1.00 0.15 C ATOM 961 C VAL A 66 16.252 3.327 2.278 1.00 0.16 C ATOM 962 O VAL A 66 16.235 2.212 1.757 1.00 0.21 O ATOM 963 CB VAL A 66 14.775 5.021 1.200 1.00 0.17 C ATOM 964 CG1 VAL A 66 14.730 6.352 0.469 1.00 0.18 C ATOM 965 CG2 VAL A 66 14.000 3.973 0.422 1.00 0.25 C ATOM 0 H VAL A 66 16.570 3.523 -0.350 1.00 0.19 H new ATOM 0 HA VAL A 66 16.766 5.373 1.937 1.00 0.15 H new ATOM 0 HB VAL A 66 14.308 5.143 2.177 1.00 0.17 H new ATOM 0 HG11 VAL A 66 13.692 6.651 0.321 1.00 0.18 H new ATOM 0 HG12 VAL A 66 15.245 7.109 1.060 1.00 0.18 H new ATOM 0 HG13 VAL A 66 15.220 6.252 -0.499 1.00 0.18 H new ATOM 0 HG21 VAL A 66 12.975 4.313 0.276 1.00 0.25 H new ATOM 0 HG22 VAL A 66 14.472 3.817 -0.548 1.00 0.25 H new ATOM 0 HG23 VAL A 66 13.996 3.036 0.979 1.00 0.25 H new ATOM 975 N THR A 67 16.319 3.523 3.580 1.00 0.13 N ATOM 976 CA THR A 67 16.268 2.418 4.506 1.00 0.15 C ATOM 977 C THR A 67 14.854 2.231 5.003 1.00 0.16 C ATOM 978 O THR A 67 14.310 3.079 5.719 1.00 0.21 O ATOM 979 CB THR A 67 17.195 2.637 5.715 1.00 0.20 C ATOM 980 OG1 THR A 67 16.923 3.903 6.317 1.00 0.29 O ATOM 981 CG2 THR A 67 18.655 2.565 5.318 1.00 0.27 C ATOM 0 H THR A 67 16.409 4.440 4.017 1.00 0.13 H new ATOM 0 HA THR A 67 16.606 1.530 3.971 1.00 0.15 H new ATOM 0 HB THR A 67 16.999 1.839 6.432 1.00 0.20 H new ATOM 0 HG1 THR A 67 15.959 3.993 6.468 1.00 0.29 H new ATOM 0 HG21 THR A 67 19.279 2.724 6.197 1.00 0.27 H new ATOM 0 HG22 THR A 67 18.869 1.584 4.894 1.00 0.27 H new ATOM 0 HG23 THR A 67 18.869 3.335 4.577 1.00 0.27 H new ATOM 989 N VAL A 68 14.252 1.130 4.616 1.00 0.15 N ATOM 990 CA VAL A 68 12.945 0.789 5.113 1.00 0.15 C ATOM 991 C VAL A 68 13.035 -0.409 6.030 1.00 0.15 C ATOM 992 O VAL A 68 13.810 -1.318 5.800 1.00 0.17 O ATOM 993 CB VAL A 68 11.929 0.494 3.982 1.00 0.16 C ATOM 994 CG1 VAL A 68 11.512 1.781 3.287 1.00 0.18 C ATOM 995 CG2 VAL A 68 12.508 -0.482 2.974 1.00 0.19 C ATOM 0 H VAL A 68 14.648 0.458 3.959 1.00 0.15 H new ATOM 0 HA VAL A 68 12.582 1.659 5.660 1.00 0.15 H new ATOM 0 HB VAL A 68 11.047 0.039 4.433 1.00 0.16 H new ATOM 0 HG11 VAL A 68 10.798 1.552 2.496 1.00 0.18 H new ATOM 0 HG12 VAL A 68 11.049 2.452 4.011 1.00 0.18 H new ATOM 0 HG13 VAL A 68 12.390 2.262 2.856 1.00 0.18 H new ATOM 0 HG21 VAL A 68 11.775 -0.673 2.190 1.00 0.19 H new ATOM 0 HG22 VAL A 68 13.409 -0.057 2.533 1.00 0.19 H new ATOM 0 HG23 VAL A 68 12.756 -1.418 3.475 1.00 0.19 H new ATOM 1005 N HIS A 69 12.265 -0.408 7.079 1.00 0.14 N ATOM 1006 CA HIS A 69 12.145 -1.590 7.888 1.00 0.15 C ATOM 1007 C HIS A 69 10.856 -2.250 7.499 1.00 0.14 C ATOM 1008 O HIS A 69 9.785 -1.683 7.692 1.00 0.15 O ATOM 1009 CB HIS A 69 12.145 -1.269 9.395 1.00 0.15 C ATOM 1010 CG HIS A 69 11.864 -2.476 10.264 1.00 0.15 C ATOM 1011 ND1 HIS A 69 12.294 -2.623 11.567 1.00 0.19 N ATOM 1012 CD2 HIS A 69 11.169 -3.599 9.989 1.00 0.18 C ATOM 1013 CE1 HIS A 69 11.866 -3.792 12.030 1.00 0.18 C ATOM 1014 NE2 HIS A 69 11.187 -4.390 11.094 1.00 0.18 N ATOM 0 H HIS A 69 11.714 0.390 7.394 1.00 0.14 H new ATOM 0 HA HIS A 69 13.002 -2.242 7.716 1.00 0.15 H new ATOM 0 HB2 HIS A 69 13.113 -0.849 9.670 1.00 0.15 H new ATOM 0 HB3 HIS A 69 11.396 -0.503 9.596 1.00 0.15 H new ATOM 0 HD1 HIS A 69 12.849 -1.945 12.089 1.00 0.19 H new ATOM 0 HD2 HIS A 69 10.682 -3.830 9.053 1.00 0.18 H new ATOM 0 HE1 HIS A 69 12.051 -4.182 13.020 1.00 0.18 H new ATOM 1023 N LEU A 70 10.945 -3.444 6.958 1.00 0.15 N ATOM 1024 CA LEU A 70 9.752 -4.146 6.594 1.00 0.16 C ATOM 1025 C LEU A 70 9.614 -5.434 7.370 1.00 0.15 C ATOM 1026 O LEU A 70 10.578 -6.156 7.622 1.00 0.21 O ATOM 1027 CB LEU A 70 9.667 -4.418 5.088 1.00 0.21 C ATOM 1028 CG LEU A 70 10.161 -5.784 4.625 1.00 0.31 C ATOM 1029 CD1 LEU A 70 9.727 -6.048 3.192 1.00 0.39 C ATOM 1030 CD2 LEU A 70 11.674 -5.887 4.737 1.00 0.38 C ATOM 0 H LEU A 70 11.818 -3.936 6.766 1.00 0.15 H new ATOM 0 HA LEU A 70 8.920 -3.492 6.854 1.00 0.16 H new ATOM 0 HB2 LEU A 70 8.628 -4.305 4.777 1.00 0.21 H new ATOM 0 HB3 LEU A 70 10.241 -3.651 4.568 1.00 0.21 H new ATOM 0 HG LEU A 70 9.717 -6.538 5.276 1.00 0.31 H new ATOM 0 HD11 LEU A 70 10.088 -7.027 2.877 1.00 0.39 H new ATOM 0 HD12 LEU A 70 8.639 -6.025 3.131 1.00 0.39 H new ATOM 0 HD13 LEU A 70 10.143 -5.281 2.539 1.00 0.39 H new ATOM 0 HD21 LEU A 70 11.998 -6.872 4.400 1.00 0.38 H new ATOM 0 HD22 LEU A 70 12.138 -5.120 4.116 1.00 0.38 H new ATOM 0 HD23 LEU A 70 11.973 -5.743 5.775 1.00 0.38 H new ATOM 1042 N GLN A 71 8.412 -5.659 7.810 1.00 0.13 N ATOM 1043 CA GLN A 71 7.997 -6.948 8.297 1.00 0.14 C ATOM 1044 C GLN A 71 6.676 -7.228 7.650 1.00 0.14 C ATOM 1045 O GLN A 71 5.683 -6.535 7.893 1.00 0.14 O ATOM 1046 CB GLN A 71 7.845 -7.000 9.809 1.00 0.15 C ATOM 1047 CG GLN A 71 8.689 -5.994 10.563 1.00 0.15 C ATOM 1048 CD GLN A 71 7.988 -4.675 10.781 1.00 0.16 C ATOM 1049 OE1 GLN A 71 8.280 -3.960 11.735 1.00 0.27 O ATOM 1050 NE2 GLN A 71 7.043 -4.355 9.921 1.00 0.18 N ATOM 0 H GLN A 71 7.682 -4.948 7.843 1.00 0.13 H new ATOM 0 HA GLN A 71 8.758 -7.688 8.051 1.00 0.14 H new ATOM 0 HB2 GLN A 71 6.797 -6.837 10.061 1.00 0.15 H new ATOM 0 HB3 GLN A 71 8.104 -8.002 10.153 1.00 0.15 H new ATOM 0 HG2 GLN A 71 8.967 -6.414 11.529 1.00 0.15 H new ATOM 0 HG3 GLN A 71 9.614 -5.820 10.013 1.00 0.15 H new ATOM 0 HE21 GLN A 71 6.831 -4.977 9.141 1.00 0.18 H new ATOM 0 HE22 GLN A 71 6.523 -3.485 10.035 1.00 0.18 H new ATOM 1059 N THR A 72 6.682 -8.212 6.811 1.00 0.15 N ATOM 1060 CA THR A 72 5.581 -8.454 5.937 1.00 0.16 C ATOM 1061 C THR A 72 4.711 -9.585 6.448 1.00 0.16 C ATOM 1062 O THR A 72 5.196 -10.672 6.750 1.00 0.17 O ATOM 1063 CB THR A 72 6.103 -8.770 4.542 1.00 0.17 C ATOM 1064 OG1 THR A 72 6.920 -7.686 4.076 1.00 0.19 O ATOM 1065 CG2 THR A 72 4.962 -8.992 3.588 1.00 0.19 C ATOM 0 H THR A 72 7.453 -8.873 6.712 1.00 0.15 H new ATOM 0 HA THR A 72 4.963 -7.557 5.898 1.00 0.16 H new ATOM 0 HB THR A 72 6.698 -9.682 4.590 1.00 0.17 H new ATOM 0 HG1 THR A 72 7.256 -7.892 3.179 1.00 0.19 H new ATOM 0 HG21 THR A 72 5.355 -9.216 2.596 1.00 0.19 H new ATOM 0 HG22 THR A 72 4.355 -9.828 3.935 1.00 0.19 H new ATOM 0 HG23 THR A 72 4.348 -8.093 3.540 1.00 0.19 H new ATOM 1073 N SER A 73 3.434 -9.305 6.557 1.00 0.17 N ATOM 1074 CA SER A 73 2.474 -10.262 7.031 1.00 0.17 C ATOM 1075 C SER A 73 1.660 -10.788 5.864 1.00 0.15 C ATOM 1076 O SER A 73 1.619 -10.184 4.793 1.00 0.26 O ATOM 1077 CB SER A 73 1.551 -9.593 8.053 1.00 0.23 C ATOM 1078 OG SER A 73 0.726 -10.534 8.710 1.00 1.06 O ATOM 0 H SER A 73 3.033 -8.398 6.316 1.00 0.17 H new ATOM 0 HA SER A 73 2.992 -11.095 7.506 1.00 0.17 H new ATOM 0 HB2 SER A 73 2.151 -9.059 8.790 1.00 0.23 H new ATOM 0 HB3 SER A 73 0.929 -8.852 7.551 1.00 0.23 H new ATOM 0 HG SER A 73 0.152 -10.071 9.356 1.00 1.06 H new ATOM 1084 N LEU A 74 1.043 -11.924 6.073 1.00 0.19 N ATOM 1085 CA LEU A 74 0.137 -12.487 5.108 1.00 0.18 C ATOM 1086 C LEU A 74 -1.270 -11.980 5.367 1.00 0.19 C ATOM 1087 O LEU A 74 -1.542 -11.422 6.435 1.00 0.21 O ATOM 1088 CB LEU A 74 0.161 -14.011 5.187 1.00 0.22 C ATOM 1089 CG LEU A 74 1.482 -14.667 4.795 1.00 0.38 C ATOM 1090 CD1 LEU A 74 1.272 -16.143 4.495 1.00 0.84 C ATOM 1091 CD2 LEU A 74 2.103 -13.949 3.608 1.00 0.72 C ATOM 0 H LEU A 74 1.156 -12.484 6.918 1.00 0.19 H new ATOM 0 HA LEU A 74 0.451 -12.182 4.110 1.00 0.18 H new ATOM 0 HB2 LEU A 74 -0.084 -14.309 6.206 1.00 0.22 H new ATOM 0 HB3 LEU A 74 -0.625 -14.404 4.542 1.00 0.22 H new ATOM 0 HG LEU A 74 2.174 -14.588 5.634 1.00 0.38 H new ATOM 0 HD11 LEU A 74 2.223 -16.597 4.217 1.00 0.84 H new ATOM 0 HD12 LEU A 74 0.877 -16.642 5.380 1.00 0.84 H new ATOM 0 HD13 LEU A 74 0.565 -16.250 3.672 1.00 0.84 H new ATOM 0 HD21 LEU A 74 3.044 -14.431 3.343 1.00 0.72 H new ATOM 0 HD22 LEU A 74 1.421 -13.993 2.759 1.00 0.72 H new ATOM 0 HD23 LEU A 74 2.290 -12.908 3.870 1.00 0.72 H new ATOM 1103 N GLU A 75 -2.154 -12.181 4.398 1.00 0.21 N ATOM 1104 CA GLU A 75 -3.566 -11.843 4.549 1.00 0.26 C ATOM 1105 C GLU A 75 -4.167 -12.552 5.770 1.00 0.32 C ATOM 1106 O GLU A 75 -5.225 -12.175 6.269 1.00 0.39 O ATOM 1107 CB GLU A 75 -4.342 -12.245 3.295 1.00 0.30 C ATOM 1108 CG GLU A 75 -4.288 -13.734 3.005 1.00 0.34 C ATOM 1109 CD GLU A 75 -5.020 -14.112 1.739 1.00 0.67 C ATOM 1110 OE1 GLU A 75 -4.437 -13.968 0.646 1.00 0.82 O ATOM 1111 OE2 GLU A 75 -6.188 -14.535 1.835 1.00 1.14 O ATOM 0 H GLU A 75 -1.916 -12.580 3.490 1.00 0.21 H new ATOM 0 HA GLU A 75 -3.643 -10.765 4.693 1.00 0.26 H new ATOM 0 HB2 GLU A 75 -5.383 -11.942 3.408 1.00 0.30 H new ATOM 0 HB3 GLU A 75 -3.942 -11.701 2.439 1.00 0.30 H new ATOM 0 HG2 GLU A 75 -3.247 -14.046 2.924 1.00 0.34 H new ATOM 0 HG3 GLU A 75 -4.719 -14.279 3.845 1.00 0.34 H new ATOM 1118 N ASN A 76 -3.470 -13.590 6.236 1.00 0.34 N ATOM 1119 CA ASN A 76 -3.927 -14.400 7.360 1.00 0.41 C ATOM 1120 C ASN A 76 -3.363 -13.880 8.679 1.00 0.39 C ATOM 1121 O ASN A 76 -3.746 -14.343 9.755 1.00 0.51 O ATOM 1122 CB ASN A 76 -3.512 -15.866 7.170 1.00 0.50 C ATOM 1123 CG ASN A 76 -3.993 -16.447 5.852 1.00 1.13 C ATOM 1124 OD1 ASN A 76 -5.110 -16.945 5.749 1.00 2.14 O ATOM 1125 ND2 ASN A 76 -3.134 -16.423 4.842 1.00 1.13 N ATOM 0 H ASN A 76 -2.577 -13.890 5.845 1.00 0.34 H new ATOM 0 HA ASN A 76 -5.014 -14.333 7.394 1.00 0.41 H new ATOM 0 HB2 ASN A 76 -2.426 -15.941 7.220 1.00 0.50 H new ATOM 0 HB3 ASN A 76 -3.911 -16.461 7.991 1.00 0.50 H new ATOM 0 HD21 ASN A 76 -3.393 -16.827 3.942 1.00 1.13 H new ATOM 0 HD22 ASN A 76 -2.214 -16.000 4.965 1.00 1.13 H new ATOM 1132 N GLY A 77 -2.440 -12.932 8.590 1.00 0.30 N ATOM 1133 CA GLY A 77 -1.833 -12.370 9.783 1.00 0.32 C ATOM 1134 C GLY A 77 -0.495 -13.013 10.092 1.00 0.32 C ATOM 1135 O GLY A 77 0.044 -12.854 11.186 1.00 0.51 O ATOM 0 H GLY A 77 -2.099 -12.541 7.712 1.00 0.30 H new ATOM 0 HA2 GLY A 77 -1.698 -11.296 9.651 1.00 0.32 H new ATOM 0 HA3 GLY A 77 -2.505 -12.505 10.630 1.00 0.32 H new ATOM 1139 N THR A 78 0.042 -13.732 9.119 1.00 0.28 N ATOM 1140 CA THR A 78 1.298 -14.442 9.302 1.00 0.28 C ATOM 1141 C THR A 78 2.469 -13.655 8.738 1.00 0.23 C ATOM 1142 O THR A 78 2.599 -13.500 7.528 1.00 0.21 O ATOM 1143 CB THR A 78 1.243 -15.829 8.635 1.00 0.34 C ATOM 1144 OG1 THR A 78 0.026 -16.489 9.007 1.00 0.46 O ATOM 1145 CG2 THR A 78 2.436 -16.686 9.044 1.00 0.39 C ATOM 0 H THR A 78 -0.373 -13.839 8.193 1.00 0.28 H new ATOM 0 HA THR A 78 1.446 -14.564 10.375 1.00 0.28 H new ATOM 0 HB THR A 78 1.278 -15.692 7.554 1.00 0.34 H new ATOM 0 HG1 THR A 78 -0.011 -17.371 8.582 1.00 0.46 H new ATOM 0 HG21 THR A 78 2.369 -17.659 8.557 1.00 0.39 H new ATOM 0 HG22 THR A 78 3.359 -16.192 8.742 1.00 0.39 H new ATOM 0 HG23 THR A 78 2.433 -16.821 10.126 1.00 0.39 H new ATOM 1153 N ARG A 79 3.311 -13.146 9.621 1.00 0.24 N ATOM 1154 CA ARG A 79 4.481 -12.403 9.200 1.00 0.22 C ATOM 1155 C ARG A 79 5.554 -13.344 8.693 1.00 0.24 C ATOM 1156 O ARG A 79 6.086 -14.168 9.430 1.00 0.33 O ATOM 1157 CB ARG A 79 4.991 -11.519 10.323 1.00 0.25 C ATOM 1158 CG ARG A 79 4.049 -10.367 10.598 1.00 0.25 C ATOM 1159 CD ARG A 79 4.822 -9.074 10.756 1.00 0.28 C ATOM 1160 NE ARG A 79 3.959 -7.889 10.820 1.00 0.33 N ATOM 1161 CZ ARG A 79 4.344 -6.715 11.340 1.00 0.38 C ATOM 1162 NH1 ARG A 79 5.516 -6.616 11.953 1.00 0.42 N ATOM 1163 NH2 ARG A 79 3.545 -5.650 11.274 1.00 0.47 N ATOM 0 H ARG A 79 3.205 -13.235 10.632 1.00 0.24 H new ATOM 0 HA ARG A 79 4.200 -11.749 8.375 1.00 0.22 H new ATOM 0 HB2 ARG A 79 5.113 -12.114 11.228 1.00 0.25 H new ATOM 0 HB3 ARG A 79 5.975 -11.130 10.062 1.00 0.25 H new ATOM 0 HG2 ARG A 79 3.333 -10.272 9.781 1.00 0.25 H new ATOM 0 HG3 ARG A 79 3.475 -10.567 11.503 1.00 0.25 H new ATOM 0 HD2 ARG A 79 5.424 -9.127 11.663 1.00 0.28 H new ATOM 0 HD3 ARG A 79 5.514 -8.967 9.920 1.00 0.28 H new ATOM 0 HE ARG A 79 3.012 -7.963 10.448 1.00 0.33 H new ATOM 0 HH11 ARG A 79 6.123 -7.432 12.028 1.00 0.42 H new ATOM 0 HH12 ARG A 79 5.811 -5.723 12.349 1.00 0.42 H new ATOM 0 HH21 ARG A 79 2.632 -5.724 10.825 1.00 0.47 H new ATOM 0 HH22 ARG A 79 3.846 -4.761 11.673 1.00 0.47 H new ATOM 1177 N VAL A 80 5.857 -13.194 7.418 1.00 0.20 N ATOM 1178 CA VAL A 80 6.670 -14.147 6.691 1.00 0.22 C ATOM 1179 C VAL A 80 8.098 -13.657 6.517 1.00 0.21 C ATOM 1180 O VAL A 80 8.963 -14.393 6.047 1.00 0.27 O ATOM 1181 CB VAL A 80 6.047 -14.427 5.315 1.00 0.23 C ATOM 1182 CG1 VAL A 80 4.698 -15.092 5.496 1.00 0.26 C ATOM 1183 CG2 VAL A 80 5.915 -13.146 4.501 1.00 0.22 C ATOM 0 H VAL A 80 5.544 -12.403 6.855 1.00 0.20 H new ATOM 0 HA VAL A 80 6.701 -15.066 7.276 1.00 0.22 H new ATOM 0 HB VAL A 80 6.704 -15.098 4.762 1.00 0.23 H new ATOM 0 HG11 VAL A 80 4.256 -15.290 4.519 1.00 0.26 H new ATOM 0 HG12 VAL A 80 4.825 -16.031 6.035 1.00 0.26 H new ATOM 0 HG13 VAL A 80 4.041 -14.434 6.064 1.00 0.26 H new ATOM 0 HG21 VAL A 80 5.471 -13.375 3.532 1.00 0.22 H new ATOM 0 HG22 VAL A 80 5.278 -12.440 5.034 1.00 0.22 H new ATOM 0 HG23 VAL A 80 6.901 -12.705 4.353 1.00 0.22 H new ATOM 1193 N GLN A 81 8.332 -12.411 6.879 1.00 0.18 N ATOM 1194 CA GLN A 81 9.648 -11.822 6.737 1.00 0.19 C ATOM 1195 C GLN A 81 9.771 -10.602 7.636 1.00 0.19 C ATOM 1196 O GLN A 81 8.841 -9.800 7.728 1.00 0.26 O ATOM 1197 CB GLN A 81 9.898 -11.441 5.273 1.00 0.23 C ATOM 1198 CG GLN A 81 8.886 -10.452 4.721 1.00 0.23 C ATOM 1199 CD GLN A 81 9.137 -10.100 3.278 1.00 0.37 C ATOM 1200 OE1 GLN A 81 9.912 -9.204 2.971 1.00 0.59 O ATOM 1201 NE2 GLN A 81 8.450 -10.784 2.384 1.00 0.50 N ATOM 0 H GLN A 81 7.628 -11.787 7.274 1.00 0.18 H new ATOM 0 HA GLN A 81 10.400 -12.551 7.038 1.00 0.19 H new ATOM 0 HB2 GLN A 81 10.897 -11.014 5.183 1.00 0.23 H new ATOM 0 HB3 GLN A 81 9.881 -12.344 4.663 1.00 0.23 H new ATOM 0 HG2 GLN A 81 7.885 -10.872 4.818 1.00 0.23 H new ATOM 0 HG3 GLN A 81 8.910 -9.542 5.321 1.00 0.23 H new ATOM 0 HE21 GLN A 81 7.815 -11.523 2.685 1.00 0.50 H new ATOM 0 HE22 GLN A 81 8.554 -10.574 1.391 1.00 0.50 H new ATOM 1210 N GLU A 82 10.893 -10.484 8.318 1.00 0.24 N ATOM 1211 CA GLU A 82 11.146 -9.329 9.157 1.00 0.24 C ATOM 1212 C GLU A 82 12.572 -8.838 8.962 1.00 0.25 C ATOM 1213 O GLU A 82 13.531 -9.521 9.316 1.00 0.41 O ATOM 1214 CB GLU A 82 10.893 -9.654 10.630 1.00 0.35 C ATOM 1215 CG GLU A 82 11.146 -8.476 11.554 1.00 0.44 C ATOM 1216 CD GLU A 82 10.732 -8.744 12.984 1.00 0.82 C ATOM 1217 OE1 GLU A 82 11.473 -9.455 13.696 1.00 1.21 O ATOM 1218 OE2 GLU A 82 9.664 -8.256 13.400 1.00 1.34 O ATOM 0 H GLU A 82 11.644 -11.174 8.308 1.00 0.24 H new ATOM 0 HA GLU A 82 10.457 -8.538 8.862 1.00 0.24 H new ATOM 0 HB2 GLU A 82 9.862 -9.987 10.750 1.00 0.35 H new ATOM 0 HB3 GLU A 82 11.533 -10.485 10.927 1.00 0.35 H new ATOM 0 HG2 GLU A 82 12.206 -8.224 11.530 1.00 0.44 H new ATOM 0 HG3 GLU A 82 10.604 -7.607 11.182 1.00 0.44 H new ATOM 1225 N GLU A 83 12.704 -7.660 8.386 1.00 0.22 N ATOM 1226 CA GLU A 83 14.003 -7.080 8.121 1.00 0.26 C ATOM 1227 C GLU A 83 14.040 -5.632 8.595 1.00 0.23 C ATOM 1228 O GLU A 83 13.299 -4.776 8.106 1.00 0.24 O ATOM 1229 CB GLU A 83 14.328 -7.238 6.629 1.00 0.39 C ATOM 1230 CG GLU A 83 15.287 -6.212 6.055 1.00 1.20 C ATOM 1231 CD GLU A 83 15.935 -6.710 4.776 1.00 1.73 C ATOM 1232 OE1 GLU A 83 16.912 -7.485 4.866 1.00 1.69 O ATOM 1233 OE2 GLU A 83 15.465 -6.354 3.684 1.00 2.59 O ATOM 0 H GLU A 83 11.918 -7.081 8.090 1.00 0.22 H new ATOM 0 HA GLU A 83 14.778 -7.603 8.681 1.00 0.26 H new ATOM 0 HB2 GLU A 83 14.749 -8.231 6.470 1.00 0.39 H new ATOM 0 HB3 GLU A 83 13.396 -7.193 6.066 1.00 0.39 H new ATOM 0 HG2 GLU A 83 14.752 -5.284 5.855 1.00 1.20 H new ATOM 0 HG3 GLU A 83 16.059 -5.983 6.790 1.00 1.20 H new ATOM 1240 N PRO A 84 14.894 -5.360 9.597 1.00 0.23 N ATOM 1241 CA PRO A 84 14.947 -4.063 10.276 1.00 0.21 C ATOM 1242 C PRO A 84 15.529 -2.947 9.417 1.00 0.19 C ATOM 1243 O PRO A 84 15.403 -1.766 9.755 1.00 0.20 O ATOM 1244 CB PRO A 84 15.845 -4.326 11.485 1.00 0.25 C ATOM 1245 CG PRO A 84 16.708 -5.469 11.081 1.00 0.50 C ATOM 1246 CD PRO A 84 15.882 -6.315 10.150 1.00 0.31 C ATOM 0 HA PRO A 84 13.946 -3.714 10.530 1.00 0.21 H new ATOM 0 HB2 PRO A 84 16.442 -3.448 11.732 1.00 0.25 H new ATOM 0 HB3 PRO A 84 15.256 -4.569 12.369 1.00 0.25 H new ATOM 0 HG2 PRO A 84 17.613 -5.117 10.586 1.00 0.50 H new ATOM 0 HG3 PRO A 84 17.024 -6.044 11.951 1.00 0.50 H new ATOM 0 HD2 PRO A 84 16.493 -6.760 9.364 1.00 0.31 H new ATOM 0 HD3 PRO A 84 15.395 -7.135 10.678 1.00 0.31 H new ATOM 1254 N GLU A 85 16.151 -3.308 8.309 1.00 0.20 N ATOM 1255 CA GLU A 85 16.738 -2.313 7.435 1.00 0.22 C ATOM 1256 C GLU A 85 16.959 -2.858 6.041 1.00 0.24 C ATOM 1257 O GLU A 85 17.804 -3.721 5.798 1.00 0.35 O ATOM 1258 CB GLU A 85 18.038 -1.763 8.015 1.00 0.31 C ATOM 1259 CG GLU A 85 18.569 -0.571 7.243 1.00 0.34 C ATOM 1260 CD GLU A 85 19.558 0.237 8.046 1.00 0.90 C ATOM 1261 OE1 GLU A 85 19.125 1.134 8.798 1.00 1.37 O ATOM 1262 OE2 GLU A 85 20.771 -0.025 7.913 1.00 1.30 O ATOM 0 H GLU A 85 16.261 -4.273 7.997 1.00 0.20 H new ATOM 0 HA GLU A 85 16.027 -1.490 7.361 1.00 0.22 H new ATOM 0 HB2 GLU A 85 17.873 -1.474 9.053 1.00 0.31 H new ATOM 0 HB3 GLU A 85 18.791 -2.551 8.019 1.00 0.31 H new ATOM 0 HG2 GLU A 85 19.046 -0.918 6.326 1.00 0.34 H new ATOM 0 HG3 GLU A 85 17.737 0.068 6.947 1.00 0.34 H new ATOM 1269 N LEU A 86 16.164 -2.329 5.152 1.00 0.23 N ATOM 1270 CA LEU A 86 16.205 -2.636 3.752 1.00 0.24 C ATOM 1271 C LEU A 86 16.501 -1.358 2.979 1.00 0.23 C ATOM 1272 O LEU A 86 15.628 -0.507 2.814 1.00 0.25 O ATOM 1273 CB LEU A 86 14.851 -3.219 3.338 1.00 0.26 C ATOM 1274 CG LEU A 86 14.580 -3.266 1.839 1.00 0.33 C ATOM 1275 CD1 LEU A 86 15.598 -4.138 1.137 1.00 0.38 C ATOM 1276 CD2 LEU A 86 13.169 -3.764 1.568 1.00 0.38 C ATOM 0 H LEU A 86 15.444 -1.648 5.393 1.00 0.23 H new ATOM 0 HA LEU A 86 16.985 -3.366 3.537 1.00 0.24 H new ATOM 0 HB2 LEU A 86 14.776 -4.232 3.734 1.00 0.26 H new ATOM 0 HB3 LEU A 86 14.064 -2.633 3.812 1.00 0.26 H new ATOM 0 HG LEU A 86 14.670 -2.254 1.443 1.00 0.33 H new ATOM 0 HD11 LEU A 86 15.385 -4.157 0.068 1.00 0.38 H new ATOM 0 HD12 LEU A 86 16.597 -3.735 1.301 1.00 0.38 H new ATOM 0 HD13 LEU A 86 15.546 -5.151 1.535 1.00 0.38 H new ATOM 0 HD21 LEU A 86 12.993 -3.791 0.493 1.00 0.38 H new ATOM 0 HD22 LEU A 86 13.051 -4.766 1.980 1.00 0.38 H new ATOM 0 HD23 LEU A 86 12.450 -3.092 2.037 1.00 0.38 H new ATOM 1288 N VAL A 87 17.745 -1.191 2.575 1.00 0.24 N ATOM 1289 CA VAL A 87 18.119 -0.047 1.766 1.00 0.22 C ATOM 1290 C VAL A 87 18.099 -0.444 0.292 1.00 0.21 C ATOM 1291 O VAL A 87 18.609 -1.502 -0.083 1.00 0.28 O ATOM 1292 CB VAL A 87 19.507 0.516 2.167 1.00 0.27 C ATOM 1293 CG1 VAL A 87 20.631 -0.453 1.839 1.00 1.00 C ATOM 1294 CG2 VAL A 87 19.749 1.862 1.506 1.00 0.94 C ATOM 0 H VAL A 87 18.511 -1.829 2.792 1.00 0.24 H new ATOM 0 HA VAL A 87 17.395 0.749 1.939 1.00 0.22 H new ATOM 0 HB VAL A 87 19.503 0.652 3.248 1.00 0.27 H new ATOM 0 HG11 VAL A 87 21.585 -0.018 2.137 1.00 1.00 H new ATOM 0 HG12 VAL A 87 20.475 -1.388 2.378 1.00 1.00 H new ATOM 0 HG13 VAL A 87 20.641 -0.650 0.767 1.00 1.00 H new ATOM 0 HG21 VAL A 87 20.728 2.241 1.800 1.00 0.94 H new ATOM 0 HG22 VAL A 87 19.714 1.747 0.423 1.00 0.94 H new ATOM 0 HG23 VAL A 87 18.978 2.566 1.821 1.00 0.94 H new ATOM 1304 N PHE A 88 17.474 0.376 -0.533 1.00 0.17 N ATOM 1305 CA PHE A 88 17.344 0.072 -1.951 1.00 0.19 C ATOM 1306 C PHE A 88 17.208 1.346 -2.754 1.00 0.20 C ATOM 1307 O PHE A 88 16.833 2.388 -2.213 1.00 0.23 O ATOM 1308 CB PHE A 88 16.128 -0.825 -2.194 1.00 0.21 C ATOM 1309 CG PHE A 88 14.810 -0.153 -1.924 1.00 0.18 C ATOM 1310 CD1 PHE A 88 14.331 -0.026 -0.631 1.00 0.19 C ATOM 1311 CD2 PHE A 88 14.049 0.339 -2.970 1.00 0.17 C ATOM 1312 CE1 PHE A 88 13.116 0.582 -0.388 1.00 0.17 C ATOM 1313 CE2 PHE A 88 12.835 0.945 -2.733 1.00 0.16 C ATOM 1314 CZ PHE A 88 12.365 1.066 -1.442 1.00 0.15 C ATOM 0 H PHE A 88 17.048 1.258 -0.248 1.00 0.17 H new ATOM 0 HA PHE A 88 18.243 -0.454 -2.272 1.00 0.19 H new ATOM 0 HB2 PHE A 88 16.144 -1.169 -3.228 1.00 0.21 H new ATOM 0 HB3 PHE A 88 16.210 -1.710 -1.562 1.00 0.21 H new ATOM 0 HD1 PHE A 88 14.914 -0.406 0.195 1.00 0.19 H new ATOM 0 HD2 PHE A 88 14.411 0.247 -3.983 1.00 0.17 H new ATOM 0 HE1 PHE A 88 12.753 0.679 0.624 1.00 0.17 H new ATOM 0 HE2 PHE A 88 12.251 1.325 -3.558 1.00 0.16 H new ATOM 0 HZ PHE A 88 11.412 1.538 -1.255 1.00 0.15 H new ATOM 1324 N THR A 89 17.521 1.261 -4.033 1.00 0.23 N ATOM 1325 CA THR A 89 17.372 2.388 -4.928 1.00 0.25 C ATOM 1326 C THR A 89 15.908 2.534 -5.336 1.00 0.21 C ATOM 1327 O THR A 89 15.341 1.652 -5.984 1.00 0.22 O ATOM 1328 CB THR A 89 18.254 2.207 -6.177 1.00 0.33 C ATOM 1329 OG1 THR A 89 19.549 1.731 -5.782 1.00 0.42 O ATOM 1330 CG2 THR A 89 18.405 3.522 -6.928 1.00 0.37 C ATOM 0 H THR A 89 17.882 0.416 -4.476 1.00 0.23 H new ATOM 0 HA THR A 89 17.691 3.292 -4.409 1.00 0.25 H new ATOM 0 HB THR A 89 17.777 1.483 -6.837 1.00 0.33 H new ATOM 0 HG1 THR A 89 20.111 1.614 -6.576 1.00 0.42 H new ATOM 0 HG21 THR A 89 19.032 3.369 -7.806 1.00 0.37 H new ATOM 0 HG22 THR A 89 17.423 3.877 -7.240 1.00 0.37 H new ATOM 0 HG23 THR A 89 18.868 4.262 -6.276 1.00 0.37 H new ATOM 1338 N LEU A 90 15.287 3.623 -4.907 1.00 0.19 N ATOM 1339 CA LEU A 90 13.897 3.893 -5.241 1.00 0.16 C ATOM 1340 C LEU A 90 13.743 4.031 -6.752 1.00 0.15 C ATOM 1341 O LEU A 90 14.515 4.735 -7.389 1.00 0.18 O ATOM 1342 CB LEU A 90 13.447 5.176 -4.555 1.00 0.16 C ATOM 1343 CG LEU A 90 11.937 5.371 -4.486 1.00 0.34 C ATOM 1344 CD1 LEU A 90 11.289 4.189 -3.783 1.00 0.60 C ATOM 1345 CD2 LEU A 90 11.613 6.679 -3.780 1.00 0.60 C ATOM 0 H LEU A 90 15.726 4.336 -4.325 1.00 0.19 H new ATOM 0 HA LEU A 90 13.278 3.065 -4.897 1.00 0.16 H new ATOM 0 HB2 LEU A 90 13.847 5.188 -3.541 1.00 0.16 H new ATOM 0 HB3 LEU A 90 13.885 6.025 -5.081 1.00 0.16 H new ATOM 0 HG LEU A 90 11.534 5.423 -5.497 1.00 0.34 H new ATOM 0 HD11 LEU A 90 10.210 4.339 -3.739 1.00 0.60 H new ATOM 0 HD12 LEU A 90 11.506 3.274 -4.334 1.00 0.60 H new ATOM 0 HD13 LEU A 90 11.685 4.106 -2.771 1.00 0.60 H new ATOM 0 HD21 LEU A 90 10.532 6.810 -3.735 1.00 0.60 H new ATOM 0 HD22 LEU A 90 12.018 6.656 -2.768 1.00 0.60 H new ATOM 0 HD23 LEU A 90 12.057 7.509 -4.330 1.00 0.60 H new ATOM 1357 N GLY A 91 12.782 3.329 -7.323 1.00 0.20 N ATOM 1358 CA GLY A 91 12.553 3.416 -8.752 1.00 0.23 C ATOM 1359 C GLY A 91 13.472 2.504 -9.527 1.00 0.26 C ATOM 1360 O GLY A 91 13.505 2.531 -10.759 1.00 0.37 O ATOM 0 H GLY A 91 12.154 2.699 -6.825 1.00 0.20 H new ATOM 0 HA2 GLY A 91 11.517 3.157 -8.970 1.00 0.23 H new ATOM 0 HA3 GLY A 91 12.701 4.445 -9.081 1.00 0.23 H new ATOM 1364 N ASP A 92 14.222 1.698 -8.798 1.00 0.27 N ATOM 1365 CA ASP A 92 15.125 0.742 -9.408 1.00 0.32 C ATOM 1366 C ASP A 92 14.479 -0.626 -9.398 1.00 0.30 C ATOM 1367 O ASP A 92 14.986 -1.576 -9.995 1.00 0.37 O ATOM 1368 CB ASP A 92 16.469 0.747 -8.667 1.00 0.42 C ATOM 1369 CG ASP A 92 17.498 -0.201 -9.256 1.00 0.59 C ATOM 1370 OD1 ASP A 92 18.064 0.118 -10.322 1.00 0.93 O ATOM 1371 OD2 ASP A 92 17.713 -1.287 -8.683 1.00 0.82 O ATOM 0 H ASP A 92 14.223 1.687 -7.778 1.00 0.27 H new ATOM 0 HA ASP A 92 15.323 1.017 -10.444 1.00 0.32 H new ATOM 0 HB2 ASP A 92 16.874 1.759 -8.676 1.00 0.42 H new ATOM 0 HB3 ASP A 92 16.299 0.481 -7.624 1.00 0.42 H new ATOM 1376 N CYS A 93 13.314 -0.698 -8.750 1.00 0.28 N ATOM 1377 CA CYS A 93 12.571 -1.941 -8.631 1.00 0.27 C ATOM 1378 C CYS A 93 13.457 -3.015 -8.025 1.00 0.26 C ATOM 1379 O CYS A 93 13.334 -4.198 -8.333 1.00 0.31 O ATOM 1380 CB CYS A 93 12.052 -2.373 -10.001 1.00 0.38 C ATOM 1381 SG CYS A 93 11.099 -1.086 -10.851 1.00 0.62 S ATOM 0 H CYS A 93 12.867 0.100 -8.299 1.00 0.28 H new ATOM 0 HA CYS A 93 11.715 -1.788 -7.974 1.00 0.27 H new ATOM 0 HB2 CYS A 93 12.897 -2.661 -10.626 1.00 0.38 H new ATOM 0 HB3 CYS A 93 11.427 -3.258 -9.882 1.00 0.38 H new ATOM 0 HG CYS A 93 10.698 -1.533 -12.004 1.00 0.62 H new ATOM 1387 N ASP A 94 14.336 -2.584 -7.125 1.00 0.27 N ATOM 1388 CA ASP A 94 15.266 -3.487 -6.469 1.00 0.33 C ATOM 1389 C ASP A 94 14.508 -4.302 -5.433 1.00 0.33 C ATOM 1390 O ASP A 94 15.005 -5.274 -4.865 1.00 0.48 O ATOM 1391 CB ASP A 94 16.387 -2.683 -5.811 1.00 0.41 C ATOM 1392 CG ASP A 94 17.516 -3.549 -5.294 1.00 0.65 C ATOM 1393 OD1 ASP A 94 18.018 -4.395 -6.061 1.00 0.96 O ATOM 1394 OD2 ASP A 94 17.931 -3.369 -4.133 1.00 1.33 O ATOM 0 H ASP A 94 14.421 -1.610 -6.835 1.00 0.27 H new ATOM 0 HA ASP A 94 15.713 -4.162 -7.198 1.00 0.33 H new ATOM 0 HB2 ASP A 94 16.786 -1.970 -6.532 1.00 0.41 H new ATOM 0 HB3 ASP A 94 15.974 -2.104 -4.985 1.00 0.41 H new ATOM 1399 N VAL A 95 13.273 -3.884 -5.235 1.00 0.23 N ATOM 1400 CA VAL A 95 12.380 -4.464 -4.253 1.00 0.21 C ATOM 1401 C VAL A 95 11.078 -4.905 -4.904 1.00 0.20 C ATOM 1402 O VAL A 95 11.013 -5.080 -6.120 1.00 0.22 O ATOM 1403 CB VAL A 95 12.058 -3.421 -3.176 1.00 0.20 C ATOM 1404 CG1 VAL A 95 13.256 -3.194 -2.283 1.00 0.23 C ATOM 1405 CG2 VAL A 95 11.635 -2.114 -3.831 1.00 0.19 C ATOM 0 H VAL A 95 12.855 -3.117 -5.762 1.00 0.23 H new ATOM 0 HA VAL A 95 12.872 -5.330 -3.811 1.00 0.21 H new ATOM 0 HB VAL A 95 11.238 -3.793 -2.563 1.00 0.20 H new ATOM 0 HG11 VAL A 95 13.009 -2.451 -1.525 1.00 0.23 H new ATOM 0 HG12 VAL A 95 13.530 -4.130 -1.797 1.00 0.23 H new ATOM 0 HG13 VAL A 95 14.094 -2.837 -2.882 1.00 0.23 H new ATOM 0 HG21 VAL A 95 11.408 -1.378 -3.060 1.00 0.19 H new ATOM 0 HG22 VAL A 95 12.445 -1.743 -4.460 1.00 0.19 H new ATOM 0 HG23 VAL A 95 10.749 -2.284 -4.443 1.00 0.19 H new ATOM 1415 N ILE A 96 10.034 -5.059 -4.098 1.00 0.19 N ATOM 1416 CA ILE A 96 8.726 -5.346 -4.626 1.00 0.19 C ATOM 1417 C ILE A 96 8.128 -4.031 -5.070 1.00 0.16 C ATOM 1418 O ILE A 96 8.293 -3.018 -4.390 1.00 0.15 O ATOM 1419 CB ILE A 96 7.813 -6.040 -3.590 1.00 0.22 C ATOM 1420 CG1 ILE A 96 7.678 -5.194 -2.321 1.00 0.25 C ATOM 1421 CG2 ILE A 96 8.367 -7.416 -3.250 1.00 0.26 C ATOM 1422 CD1 ILE A 96 6.712 -5.775 -1.311 1.00 0.29 C ATOM 0 H ILE A 96 10.078 -4.988 -3.081 1.00 0.19 H new ATOM 0 HA ILE A 96 8.813 -6.042 -5.460 1.00 0.19 H new ATOM 0 HB ILE A 96 6.821 -6.152 -4.027 1.00 0.22 H new ATOM 0 HG12 ILE A 96 8.659 -5.090 -1.857 1.00 0.25 H new ATOM 0 HG13 ILE A 96 7.347 -4.192 -2.595 1.00 0.25 H new ATOM 0 HG21 ILE A 96 7.718 -7.899 -2.519 1.00 0.26 H new ATOM 0 HG22 ILE A 96 8.411 -8.024 -4.154 1.00 0.26 H new ATOM 0 HG23 ILE A 96 9.369 -7.312 -2.833 1.00 0.26 H new ATOM 0 HD11 ILE A 96 6.665 -5.125 -0.437 1.00 0.29 H new ATOM 0 HD12 ILE A 96 5.721 -5.854 -1.759 1.00 0.29 H new ATOM 0 HD13 ILE A 96 7.053 -6.765 -1.009 1.00 0.29 H new ATOM 1434 N GLN A 97 7.475 -4.028 -6.209 1.00 0.17 N ATOM 1435 CA GLN A 97 7.004 -2.783 -6.795 1.00 0.17 C ATOM 1436 C GLN A 97 6.023 -2.080 -5.863 1.00 0.16 C ATOM 1437 O GLN A 97 5.929 -0.856 -5.864 1.00 0.16 O ATOM 1438 CB GLN A 97 6.362 -3.007 -8.159 1.00 0.19 C ATOM 1439 CG GLN A 97 6.377 -1.747 -9.014 1.00 0.25 C ATOM 1440 CD GLN A 97 7.723 -1.504 -9.678 1.00 0.31 C ATOM 1441 OE1 GLN A 97 7.937 -1.923 -10.811 1.00 0.40 O ATOM 1442 NE2 GLN A 97 8.648 -0.852 -8.980 1.00 0.32 N ATOM 0 H GLN A 97 7.256 -4.865 -6.749 1.00 0.17 H new ATOM 0 HA GLN A 97 7.876 -2.145 -6.935 1.00 0.17 H new ATOM 0 HB2 GLN A 97 6.890 -3.805 -8.681 1.00 0.19 H new ATOM 0 HB3 GLN A 97 5.333 -3.341 -8.024 1.00 0.19 H new ATOM 0 HG2 GLN A 97 5.607 -1.824 -9.781 1.00 0.25 H new ATOM 0 HG3 GLN A 97 6.123 -0.888 -8.393 1.00 0.25 H new ATOM 0 HE21 GLN A 97 8.436 -0.517 -8.040 1.00 0.32 H new ATOM 0 HE22 GLN A 97 9.570 -0.687 -9.384 1.00 0.32 H new ATOM 1451 N ALA A 98 5.316 -2.864 -5.054 1.00 0.17 N ATOM 1452 CA ALA A 98 4.425 -2.314 -4.038 1.00 0.18 C ATOM 1453 C ALA A 98 5.180 -1.376 -3.114 1.00 0.17 C ATOM 1454 O ALA A 98 4.663 -0.342 -2.700 1.00 0.20 O ATOM 1455 CB ALA A 98 3.806 -3.437 -3.229 1.00 0.20 C ATOM 0 H ALA A 98 5.343 -3.883 -5.083 1.00 0.17 H new ATOM 0 HA ALA A 98 3.637 -1.752 -4.540 1.00 0.18 H new ATOM 0 HB1 ALA A 98 3.142 -3.018 -2.473 1.00 0.20 H new ATOM 0 HB2 ALA A 98 3.236 -4.090 -3.890 1.00 0.20 H new ATOM 0 HB3 ALA A 98 4.594 -4.012 -2.742 1.00 0.20 H new ATOM 1461 N LEU A 99 6.417 -1.735 -2.815 1.00 0.17 N ATOM 1462 CA LEU A 99 7.246 -0.936 -1.923 1.00 0.17 C ATOM 1463 C LEU A 99 7.879 0.222 -2.672 1.00 0.15 C ATOM 1464 O LEU A 99 7.941 1.342 -2.174 1.00 0.15 O ATOM 1465 CB LEU A 99 8.348 -1.768 -1.282 1.00 0.19 C ATOM 1466 CG LEU A 99 9.218 -0.992 -0.288 1.00 0.18 C ATOM 1467 CD1 LEU A 99 8.375 -0.426 0.845 1.00 0.21 C ATOM 1468 CD2 LEU A 99 10.318 -1.874 0.265 1.00 0.22 C ATOM 0 H LEU A 99 6.871 -2.574 -3.176 1.00 0.17 H new ATOM 0 HA LEU A 99 6.591 -0.556 -1.139 1.00 0.17 H new ATOM 0 HB2 LEU A 99 7.896 -2.616 -0.768 1.00 0.19 H new ATOM 0 HB3 LEU A 99 8.986 -2.174 -2.067 1.00 0.19 H new ATOM 0 HG LEU A 99 9.677 -0.160 -0.823 1.00 0.18 H new ATOM 0 HD11 LEU A 99 9.016 0.120 1.537 1.00 0.21 H new ATOM 0 HD12 LEU A 99 7.623 0.249 0.437 1.00 0.21 H new ATOM 0 HD13 LEU A 99 7.882 -1.241 1.374 1.00 0.21 H new ATOM 0 HD21 LEU A 99 10.923 -1.303 0.969 1.00 0.22 H new ATOM 0 HD22 LEU A 99 9.876 -2.729 0.777 1.00 0.22 H new ATOM 0 HD23 LEU A 99 10.947 -2.226 -0.552 1.00 0.22 H new ATOM 1480 N ASP A 100 8.322 -0.061 -3.887 1.00 0.15 N ATOM 1481 CA ASP A 100 9.033 0.912 -4.701 1.00 0.16 C ATOM 1482 C ASP A 100 8.133 2.102 -4.988 1.00 0.15 C ATOM 1483 O ASP A 100 8.595 3.221 -5.193 1.00 0.16 O ATOM 1484 CB ASP A 100 9.484 0.240 -6.000 1.00 0.17 C ATOM 1485 CG ASP A 100 10.300 1.148 -6.898 1.00 0.20 C ATOM 1486 OD1 ASP A 100 9.704 1.925 -7.678 1.00 0.26 O ATOM 1487 OD2 ASP A 100 11.545 1.066 -6.841 1.00 0.21 O ATOM 0 H ASP A 100 8.199 -0.969 -4.335 1.00 0.15 H new ATOM 0 HA ASP A 100 9.911 1.275 -4.167 1.00 0.16 H new ATOM 0 HB2 ASP A 100 10.074 -0.643 -5.757 1.00 0.17 H new ATOM 0 HB3 ASP A 100 8.606 -0.104 -6.546 1.00 0.17 H new ATOM 1492 N LEU A 101 6.838 1.841 -5.002 1.00 0.16 N ATOM 1493 CA LEU A 101 5.854 2.873 -5.214 1.00 0.16 C ATOM 1494 C LEU A 101 5.378 3.502 -3.902 1.00 0.15 C ATOM 1495 O LEU A 101 5.121 4.711 -3.838 1.00 0.16 O ATOM 1496 CB LEU A 101 4.676 2.288 -5.978 1.00 0.19 C ATOM 1497 CG LEU A 101 5.019 1.644 -7.327 1.00 0.22 C ATOM 1498 CD1 LEU A 101 3.756 1.179 -8.039 1.00 0.25 C ATOM 1499 CD2 LEU A 101 5.810 2.609 -8.200 1.00 0.25 C ATOM 0 H LEU A 101 6.446 0.909 -4.867 1.00 0.16 H new ATOM 0 HA LEU A 101 6.320 3.670 -5.794 1.00 0.16 H new ATOM 0 HB2 LEU A 101 4.194 1.539 -5.350 1.00 0.19 H new ATOM 0 HB3 LEU A 101 3.946 3.080 -6.148 1.00 0.19 H new ATOM 0 HG LEU A 101 5.642 0.770 -7.139 1.00 0.22 H new ATOM 0 HD11 LEU A 101 4.023 0.725 -8.994 1.00 0.25 H new ATOM 0 HD12 LEU A 101 3.239 0.445 -7.421 1.00 0.25 H new ATOM 0 HD13 LEU A 101 3.101 2.033 -8.213 1.00 0.25 H new ATOM 0 HD21 LEU A 101 6.043 2.131 -9.152 1.00 0.25 H new ATOM 0 HD22 LEU A 101 5.218 3.506 -8.379 1.00 0.25 H new ATOM 0 HD23 LEU A 101 6.737 2.881 -7.695 1.00 0.25 H new ATOM 1511 N SER A 102 5.257 2.695 -2.855 1.00 0.15 N ATOM 1512 CA SER A 102 4.674 3.175 -1.614 1.00 0.17 C ATOM 1513 C SER A 102 5.619 4.126 -0.894 1.00 0.15 C ATOM 1514 O SER A 102 5.177 4.999 -0.147 1.00 0.18 O ATOM 1515 CB SER A 102 4.293 2.007 -0.700 1.00 0.23 C ATOM 1516 OG SER A 102 5.367 1.101 -0.547 1.00 1.01 O ATOM 0 H SER A 102 5.551 1.718 -2.842 1.00 0.15 H new ATOM 0 HA SER A 102 3.767 3.724 -1.867 1.00 0.17 H new ATOM 0 HB2 SER A 102 3.995 2.389 0.276 1.00 0.23 H new ATOM 0 HB3 SER A 102 3.431 1.485 -1.114 1.00 0.23 H new ATOM 0 HG SER A 102 5.269 0.366 -1.188 1.00 1.01 H new ATOM 1522 N VAL A 103 6.913 3.962 -1.139 1.00 0.15 N ATOM 1523 CA VAL A 103 7.930 4.805 -0.525 1.00 0.16 C ATOM 1524 C VAL A 103 7.823 6.266 -0.967 1.00 0.16 C ATOM 1525 O VAL A 103 7.723 7.147 -0.125 1.00 0.18 O ATOM 1526 CB VAL A 103 9.340 4.281 -0.822 1.00 0.18 C ATOM 1527 CG1 VAL A 103 10.403 5.294 -0.411 1.00 0.21 C ATOM 1528 CG2 VAL A 103 9.563 2.961 -0.112 1.00 0.19 C ATOM 0 H VAL A 103 7.285 3.247 -1.764 1.00 0.15 H new ATOM 0 HA VAL A 103 7.750 4.764 0.549 1.00 0.16 H new ATOM 0 HB VAL A 103 9.427 4.125 -1.897 1.00 0.18 H new ATOM 0 HG11 VAL A 103 11.392 4.894 -0.634 1.00 0.21 H new ATOM 0 HG12 VAL A 103 10.254 6.222 -0.963 1.00 0.21 H new ATOM 0 HG13 VAL A 103 10.324 5.491 0.658 1.00 0.21 H new ATOM 0 HG21 VAL A 103 10.567 2.596 -0.329 1.00 0.19 H new ATOM 0 HG22 VAL A 103 9.453 3.103 0.963 1.00 0.19 H new ATOM 0 HG23 VAL A 103 8.830 2.233 -0.459 1.00 0.19 H new ATOM 1538 N PRO A 104 7.857 6.560 -2.284 1.00 0.17 N ATOM 1539 CA PRO A 104 7.661 7.927 -2.783 1.00 0.21 C ATOM 1540 C PRO A 104 6.287 8.480 -2.412 1.00 0.19 C ATOM 1541 O PRO A 104 6.084 9.691 -2.344 1.00 0.22 O ATOM 1542 CB PRO A 104 7.810 7.788 -4.303 1.00 0.27 C ATOM 1543 CG PRO A 104 7.633 6.337 -4.585 1.00 0.21 C ATOM 1544 CD PRO A 104 8.145 5.620 -3.379 1.00 0.17 C ATOM 0 HA PRO A 104 8.373 8.629 -2.349 1.00 0.21 H new ATOM 0 HB2 PRO A 104 7.063 8.384 -4.827 1.00 0.27 H new ATOM 0 HB3 PRO A 104 8.788 8.137 -4.636 1.00 0.27 H new ATOM 0 HG2 PRO A 104 6.585 6.099 -4.765 1.00 0.21 H new ATOM 0 HG3 PRO A 104 8.184 6.043 -5.478 1.00 0.21 H new ATOM 0 HD2 PRO A 104 7.640 4.665 -3.233 1.00 0.17 H new ATOM 0 HD3 PRO A 104 9.211 5.408 -3.458 1.00 0.17 H new ATOM 1552 N LEU A 105 5.339 7.584 -2.186 1.00 0.18 N ATOM 1553 CA LEU A 105 4.038 7.977 -1.663 1.00 0.19 C ATOM 1554 C LEU A 105 4.129 8.355 -0.184 1.00 0.22 C ATOM 1555 O LEU A 105 3.370 9.190 0.306 1.00 0.32 O ATOM 1556 CB LEU A 105 3.043 6.834 -1.833 1.00 0.18 C ATOM 1557 CG LEU A 105 2.531 6.608 -3.255 1.00 0.25 C ATOM 1558 CD1 LEU A 105 1.369 5.634 -3.242 1.00 0.53 C ATOM 1559 CD2 LEU A 105 2.119 7.924 -3.901 1.00 0.64 C ATOM 0 H LEU A 105 5.444 6.584 -2.355 1.00 0.18 H new ATOM 0 HA LEU A 105 3.699 8.848 -2.223 1.00 0.19 H new ATOM 0 HB2 LEU A 105 3.512 5.914 -1.485 1.00 0.18 H new ATOM 0 HB3 LEU A 105 2.188 7.022 -1.184 1.00 0.18 H new ATOM 0 HG LEU A 105 3.340 6.182 -3.848 1.00 0.25 H new ATOM 0 HD11 LEU A 105 1.012 5.480 -4.260 1.00 0.53 H new ATOM 0 HD12 LEU A 105 1.697 4.682 -2.825 1.00 0.53 H new ATOM 0 HD13 LEU A 105 0.562 6.039 -2.632 1.00 0.53 H new ATOM 0 HD21 LEU A 105 1.758 7.736 -4.912 1.00 0.64 H new ATOM 0 HD22 LEU A 105 1.326 8.385 -3.313 1.00 0.64 H new ATOM 0 HD23 LEU A 105 2.978 8.594 -3.941 1.00 0.64 H new ATOM 1571 N MET A 106 5.053 7.720 0.516 1.00 0.20 N ATOM 1572 CA MET A 106 5.223 7.903 1.950 1.00 0.24 C ATOM 1573 C MET A 106 6.245 9.005 2.257 1.00 0.21 C ATOM 1574 O MET A 106 7.136 9.283 1.453 1.00 0.26 O ATOM 1575 CB MET A 106 5.639 6.551 2.558 1.00 0.33 C ATOM 1576 CG MET A 106 6.986 6.540 3.252 1.00 0.53 C ATOM 1577 SD MET A 106 7.644 4.870 3.463 1.00 0.78 S ATOM 1578 CE MET A 106 6.404 4.140 4.520 1.00 0.54 C ATOM 0 H MET A 106 5.711 7.058 0.104 1.00 0.20 H new ATOM 0 HA MET A 106 4.284 8.230 2.397 1.00 0.24 H new ATOM 0 HB2 MET A 106 4.877 6.244 3.274 1.00 0.33 H new ATOM 0 HB3 MET A 106 5.651 5.803 1.765 1.00 0.33 H new ATOM 0 HG2 MET A 106 7.693 7.135 2.674 1.00 0.53 H new ATOM 0 HG3 MET A 106 6.892 7.016 4.228 1.00 0.53 H new ATOM 0 HE1 MET A 106 6.865 3.818 5.454 1.00 0.54 H new ATOM 0 HE2 MET A 106 5.629 4.876 4.733 1.00 0.54 H new ATOM 0 HE3 MET A 106 5.960 3.280 4.019 1.00 0.54 H new ATOM 1588 N ASP A 107 6.100 9.647 3.408 1.00 0.18 N ATOM 1589 CA ASP A 107 7.038 10.685 3.826 1.00 0.18 C ATOM 1590 C ASP A 107 8.174 10.085 4.639 1.00 0.14 C ATOM 1591 O ASP A 107 8.010 9.052 5.295 1.00 0.13 O ATOM 1592 CB ASP A 107 6.341 11.771 4.659 1.00 0.25 C ATOM 1593 CG ASP A 107 5.800 12.909 3.820 1.00 0.56 C ATOM 1594 OD1 ASP A 107 4.751 12.720 3.161 1.00 0.92 O ATOM 1595 OD2 ASP A 107 6.412 13.996 3.806 1.00 0.97 O ATOM 0 H ASP A 107 5.344 9.469 4.069 1.00 0.18 H new ATOM 0 HA ASP A 107 7.438 11.141 2.920 1.00 0.18 H new ATOM 0 HB2 ASP A 107 5.522 11.320 5.220 1.00 0.25 H new ATOM 0 HB3 ASP A 107 7.046 12.169 5.389 1.00 0.25 H new ATOM 1600 N VAL A 108 9.330 10.731 4.590 1.00 0.16 N ATOM 1601 CA VAL A 108 10.471 10.295 5.379 1.00 0.16 C ATOM 1602 C VAL A 108 10.131 10.325 6.862 1.00 0.15 C ATOM 1603 O VAL A 108 9.734 11.355 7.407 1.00 0.19 O ATOM 1604 CB VAL A 108 11.725 11.169 5.102 1.00 0.21 C ATOM 1605 CG1 VAL A 108 12.670 11.206 6.296 1.00 0.68 C ATOM 1606 CG2 VAL A 108 12.468 10.652 3.880 1.00 0.80 C ATOM 0 H VAL A 108 9.502 11.555 4.014 1.00 0.16 H new ATOM 0 HA VAL A 108 10.704 9.272 5.085 1.00 0.16 H new ATOM 0 HB VAL A 108 11.376 12.185 4.918 1.00 0.21 H new ATOM 0 HG11 VAL A 108 13.533 11.828 6.058 1.00 0.68 H new ATOM 0 HG12 VAL A 108 12.150 11.622 7.159 1.00 0.68 H new ATOM 0 HG13 VAL A 108 13.005 10.195 6.527 1.00 0.68 H new ATOM 0 HG21 VAL A 108 13.345 11.274 3.697 1.00 0.80 H new ATOM 0 HG22 VAL A 108 12.783 9.623 4.054 1.00 0.80 H new ATOM 0 HG23 VAL A 108 11.810 10.688 3.012 1.00 0.80 H new ATOM 1616 N GLY A 109 10.293 9.187 7.500 1.00 0.15 N ATOM 1617 CA GLY A 109 10.082 9.099 8.926 1.00 0.17 C ATOM 1618 C GLY A 109 8.719 8.552 9.277 1.00 0.18 C ATOM 1619 O GLY A 109 8.296 8.631 10.430 1.00 0.28 O ATOM 0 H GLY A 109 10.570 8.312 7.054 1.00 0.15 H new ATOM 0 HA2 GLY A 109 10.850 8.462 9.365 1.00 0.17 H new ATOM 0 HA3 GLY A 109 10.198 10.088 9.369 1.00 0.17 H new ATOM 1623 N GLU A 110 8.018 7.995 8.295 1.00 0.13 N ATOM 1624 CA GLU A 110 6.709 7.436 8.554 1.00 0.13 C ATOM 1625 C GLU A 110 6.759 5.919 8.567 1.00 0.10 C ATOM 1626 O GLU A 110 7.759 5.306 8.188 1.00 0.12 O ATOM 1627 CB GLU A 110 5.670 7.907 7.532 1.00 0.17 C ATOM 1628 CG GLU A 110 5.685 7.179 6.203 1.00 0.20 C ATOM 1629 CD GLU A 110 4.431 7.436 5.381 1.00 0.27 C ATOM 1630 OE1 GLU A 110 4.159 8.612 5.041 1.00 0.41 O ATOM 1631 OE2 GLU A 110 3.697 6.474 5.086 1.00 0.39 O ATOM 0 H GLU A 110 8.334 7.922 7.328 1.00 0.13 H new ATOM 0 HA GLU A 110 6.405 7.795 9.537 1.00 0.13 H new ATOM 0 HB2 GLU A 110 4.679 7.802 7.973 1.00 0.17 H new ATOM 0 HB3 GLU A 110 5.825 8.970 7.346 1.00 0.17 H new ATOM 0 HG2 GLU A 110 6.560 7.491 5.632 1.00 0.20 H new ATOM 0 HG3 GLU A 110 5.785 6.108 6.381 1.00 0.20 H new ATOM 1638 N THR A 111 5.679 5.325 9.031 1.00 0.10 N ATOM 1639 CA THR A 111 5.523 3.897 8.999 1.00 0.11 C ATOM 1640 C THR A 111 4.169 3.584 8.406 1.00 0.11 C ATOM 1641 O THR A 111 3.139 3.993 8.943 1.00 0.12 O ATOM 1642 CB THR A 111 5.652 3.275 10.403 1.00 0.16 C ATOM 1643 OG1 THR A 111 6.841 3.769 11.032 1.00 0.22 O ATOM 1644 CG2 THR A 111 5.716 1.757 10.321 1.00 0.19 C ATOM 0 H THR A 111 4.889 5.824 9.439 1.00 0.10 H new ATOM 0 HA THR A 111 6.317 3.465 8.389 1.00 0.11 H new ATOM 0 HB THR A 111 4.775 3.552 10.988 1.00 0.16 H new ATOM 0 HG1 THR A 111 6.925 3.377 11.926 1.00 0.22 H new ATOM 0 HG21 THR A 111 5.807 1.342 11.325 1.00 0.19 H new ATOM 0 HG22 THR A 111 4.807 1.379 9.853 1.00 0.19 H new ATOM 0 HG23 THR A 111 6.580 1.461 9.726 1.00 0.19 H new ATOM 1652 N ALA A 112 4.168 2.906 7.277 1.00 0.12 N ATOM 1653 CA ALA A 112 2.934 2.594 6.602 1.00 0.13 C ATOM 1654 C ALA A 112 2.752 1.099 6.487 1.00 0.12 C ATOM 1655 O ALA A 112 3.699 0.364 6.205 1.00 0.13 O ATOM 1656 CB ALA A 112 2.907 3.238 5.227 1.00 0.18 C ATOM 0 H ALA A 112 5.008 2.563 6.811 1.00 0.12 H new ATOM 0 HA ALA A 112 2.109 2.995 7.191 1.00 0.13 H new ATOM 0 HB1 ALA A 112 1.969 2.993 4.729 1.00 0.18 H new ATOM 0 HB2 ALA A 112 2.992 4.320 5.330 1.00 0.18 H new ATOM 0 HB3 ALA A 112 3.741 2.864 4.633 1.00 0.18 H new ATOM 1662 N MET A 113 1.535 0.659 6.720 1.00 0.12 N ATOM 1663 CA MET A 113 1.176 -0.724 6.509 1.00 0.12 C ATOM 1664 C MET A 113 0.501 -0.810 5.160 1.00 0.12 C ATOM 1665 O MET A 113 -0.537 -0.197 4.939 1.00 0.14 O ATOM 1666 CB MET A 113 0.241 -1.219 7.618 1.00 0.16 C ATOM 1667 CG MET A 113 -0.378 -2.584 7.346 1.00 0.25 C ATOM 1668 SD MET A 113 -1.118 -3.320 8.817 1.00 0.53 S ATOM 1669 CE MET A 113 -2.457 -2.175 9.129 1.00 1.32 C ATOM 0 H MET A 113 0.772 1.246 7.059 1.00 0.12 H new ATOM 0 HA MET A 113 2.063 -1.358 6.534 1.00 0.12 H new ATOM 0 HB2 MET A 113 0.797 -1.264 8.554 1.00 0.16 H new ATOM 0 HB3 MET A 113 -0.558 -0.491 7.757 1.00 0.16 H new ATOM 0 HG2 MET A 113 -1.139 -2.485 6.572 1.00 0.25 H new ATOM 0 HG3 MET A 113 0.388 -3.254 6.956 1.00 0.25 H new ATOM 0 HE1 MET A 113 -3.022 -2.505 10.001 1.00 1.32 H new ATOM 0 HE2 MET A 113 -2.050 -1.181 9.315 1.00 1.32 H new ATOM 0 HE3 MET A 113 -3.116 -2.141 8.261 1.00 1.32 H new ATOM 1679 N VAL A 114 1.108 -1.537 4.256 1.00 0.12 N ATOM 1680 CA VAL A 114 0.624 -1.605 2.897 1.00 0.12 C ATOM 1681 C VAL A 114 0.103 -2.987 2.614 1.00 0.13 C ATOM 1682 O VAL A 114 0.759 -3.979 2.922 1.00 0.16 O ATOM 1683 CB VAL A 114 1.750 -1.294 1.897 1.00 0.15 C ATOM 1684 CG1 VAL A 114 1.221 -1.077 0.485 1.00 0.18 C ATOM 1685 CG2 VAL A 114 2.549 -0.101 2.366 1.00 0.17 C ATOM 0 H VAL A 114 1.943 -2.094 4.437 1.00 0.12 H new ATOM 0 HA VAL A 114 -0.170 -0.867 2.784 1.00 0.12 H new ATOM 0 HB VAL A 114 2.406 -2.164 1.857 1.00 0.15 H new ATOM 0 HG11 VAL A 114 2.052 -0.860 -0.186 1.00 0.18 H new ATOM 0 HG12 VAL A 114 0.707 -1.977 0.147 1.00 0.18 H new ATOM 0 HG13 VAL A 114 0.525 -0.238 0.482 1.00 0.18 H new ATOM 0 HG21 VAL A 114 3.343 0.109 1.650 1.00 0.17 H new ATOM 0 HG22 VAL A 114 1.894 0.767 2.447 1.00 0.17 H new ATOM 0 HG23 VAL A 114 2.987 -0.317 3.340 1.00 0.17 H new ATOM 1695 N THR A 115 -1.071 -3.063 2.043 1.00 0.14 N ATOM 1696 CA THR A 115 -1.557 -4.324 1.598 1.00 0.14 C ATOM 1697 C THR A 115 -1.543 -4.328 0.094 1.00 0.13 C ATOM 1698 O THR A 115 -2.263 -3.574 -0.560 1.00 0.16 O ATOM 1699 CB THR A 115 -2.955 -4.646 2.131 1.00 0.17 C ATOM 1700 OG1 THR A 115 -2.937 -4.659 3.560 1.00 0.21 O ATOM 1701 CG2 THR A 115 -3.399 -6.002 1.647 1.00 0.20 C ATOM 0 H THR A 115 -1.695 -2.272 1.881 1.00 0.14 H new ATOM 0 HA THR A 115 -0.905 -5.104 1.991 1.00 0.14 H new ATOM 0 HB THR A 115 -3.645 -3.883 1.770 1.00 0.17 H new ATOM 0 HG1 THR A 115 -3.526 -3.954 3.901 1.00 0.21 H new ATOM 0 HG21 THR A 115 -4.395 -6.218 2.034 1.00 0.20 H new ATOM 0 HG22 THR A 115 -3.423 -6.009 0.557 1.00 0.20 H new ATOM 0 HG23 THR A 115 -2.700 -6.761 1.999 1.00 0.20 H new ATOM 1709 N ALA A 116 -0.682 -5.160 -0.425 1.00 0.12 N ATOM 1710 CA ALA A 116 -0.491 -5.299 -1.845 1.00 0.13 C ATOM 1711 C ALA A 116 -0.735 -6.729 -2.232 1.00 0.12 C ATOM 1712 O ALA A 116 -0.293 -7.643 -1.535 1.00 0.13 O ATOM 1713 CB ALA A 116 0.918 -4.892 -2.223 1.00 0.15 C ATOM 0 H ALA A 116 -0.084 -5.770 0.133 1.00 0.12 H new ATOM 0 HA ALA A 116 -1.191 -4.652 -2.373 1.00 0.13 H new ATOM 0 HB1 ALA A 116 1.052 -5.001 -3.299 1.00 0.15 H new ATOM 0 HB2 ALA A 116 1.085 -3.853 -1.940 1.00 0.15 H new ATOM 0 HB3 ALA A 116 1.633 -5.529 -1.702 1.00 0.15 H new ATOM 1719 N ASP A 117 -1.462 -6.929 -3.313 1.00 0.13 N ATOM 1720 CA ASP A 117 -1.614 -8.260 -3.863 1.00 0.13 C ATOM 1721 C ASP A 117 -0.235 -8.853 -4.068 1.00 0.11 C ATOM 1722 O ASP A 117 0.709 -8.125 -4.382 1.00 0.12 O ATOM 1723 CB ASP A 117 -2.337 -8.218 -5.196 1.00 0.16 C ATOM 1724 CG ASP A 117 -2.767 -9.598 -5.660 1.00 0.20 C ATOM 1725 OD1 ASP A 117 -1.897 -10.412 -6.017 1.00 0.50 O ATOM 1726 OD2 ASP A 117 -3.986 -9.871 -5.653 1.00 0.58 O ATOM 0 H ASP A 117 -1.952 -6.195 -3.823 1.00 0.13 H new ATOM 0 HA ASP A 117 -2.201 -8.865 -3.172 1.00 0.13 H new ATOM 0 HB2 ASP A 117 -3.214 -7.576 -5.112 1.00 0.16 H new ATOM 0 HB3 ASP A 117 -1.685 -7.771 -5.947 1.00 0.16 H new ATOM 1731 N SER A 118 -0.107 -10.156 -3.899 1.00 0.13 N ATOM 1732 CA SER A 118 1.175 -10.821 -4.048 1.00 0.16 C ATOM 1733 C SER A 118 1.769 -10.533 -5.428 1.00 0.13 C ATOM 1734 O SER A 118 2.974 -10.545 -5.609 1.00 0.15 O ATOM 1735 CB SER A 118 1.016 -12.324 -3.836 1.00 0.27 C ATOM 1736 OG SER A 118 2.244 -12.929 -3.474 1.00 0.82 O ATOM 0 H SER A 118 -0.879 -10.778 -3.657 1.00 0.13 H new ATOM 0 HA SER A 118 1.859 -10.434 -3.293 1.00 0.16 H new ATOM 0 HB2 SER A 118 0.276 -12.506 -3.057 1.00 0.27 H new ATOM 0 HB3 SER A 118 0.638 -12.783 -4.749 1.00 0.27 H new ATOM 0 HG SER A 118 2.651 -12.427 -2.737 1.00 0.82 H new ATOM 1742 N LYS A 119 0.919 -10.248 -6.393 1.00 0.13 N ATOM 1743 CA LYS A 119 1.371 -9.851 -7.719 1.00 0.14 C ATOM 1744 C LYS A 119 2.327 -8.645 -7.661 1.00 0.14 C ATOM 1745 O LYS A 119 3.213 -8.511 -8.503 1.00 0.18 O ATOM 1746 CB LYS A 119 0.170 -9.536 -8.603 1.00 0.17 C ATOM 1747 CG LYS A 119 -0.770 -8.515 -8.012 1.00 0.19 C ATOM 1748 CD LYS A 119 -1.945 -8.224 -8.937 1.00 0.29 C ATOM 1749 CE LYS A 119 -2.867 -9.426 -9.074 1.00 0.38 C ATOM 1750 NZ LYS A 119 -3.924 -9.205 -10.094 1.00 0.81 N ATOM 0 H LYS A 119 -0.095 -10.283 -6.287 1.00 0.13 H new ATOM 0 HA LYS A 119 1.927 -10.685 -8.147 1.00 0.14 H new ATOM 0 HB2 LYS A 119 0.526 -9.173 -9.567 1.00 0.17 H new ATOM 0 HB3 LYS A 119 -0.381 -10.457 -8.792 1.00 0.17 H new ATOM 0 HG2 LYS A 119 -1.143 -8.876 -7.054 1.00 0.19 H new ATOM 0 HG3 LYS A 119 -0.226 -7.591 -7.815 1.00 0.19 H new ATOM 0 HD2 LYS A 119 -2.509 -7.375 -8.552 1.00 0.29 H new ATOM 0 HD3 LYS A 119 -1.571 -7.938 -9.920 1.00 0.29 H new ATOM 0 HE2 LYS A 119 -2.280 -10.304 -9.345 1.00 0.38 H new ATOM 0 HE3 LYS A 119 -3.332 -9.638 -8.111 1.00 0.38 H new ATOM 0 HZ1 LYS A 119 -4.529 -10.048 -10.155 1.00 0.81 H new ATOM 0 HZ2 LYS A 119 -4.501 -8.383 -9.823 1.00 0.81 H new ATOM 0 HZ3 LYS A 119 -3.482 -9.028 -11.019 1.00 0.81 H new ATOM 1764 N TYR A 120 2.156 -7.781 -6.656 1.00 0.13 N ATOM 1765 CA TYR A 120 3.066 -6.653 -6.447 1.00 0.15 C ATOM 1766 C TYR A 120 4.104 -7.011 -5.399 1.00 0.15 C ATOM 1767 O TYR A 120 4.950 -6.190 -5.035 1.00 0.19 O ATOM 1768 CB TYR A 120 2.300 -5.407 -5.994 1.00 0.16 C ATOM 1769 CG TYR A 120 1.297 -4.910 -6.992 1.00 0.20 C ATOM 1770 CD1 TYR A 120 0.019 -5.438 -7.027 1.00 0.23 C ATOM 1771 CD2 TYR A 120 1.631 -3.922 -7.902 1.00 0.28 C ATOM 1772 CE1 TYR A 120 -0.907 -5.000 -7.944 1.00 0.30 C ATOM 1773 CE2 TYR A 120 0.710 -3.476 -8.829 1.00 0.34 C ATOM 1774 CZ TYR A 120 -0.560 -4.019 -8.846 1.00 0.34 C ATOM 1775 OH TYR A 120 -1.481 -3.580 -9.769 1.00 0.42 O ATOM 0 H TYR A 120 1.398 -7.841 -5.977 1.00 0.13 H new ATOM 0 HA TYR A 120 3.558 -6.437 -7.395 1.00 0.15 H new ATOM 0 HB2 TYR A 120 1.787 -5.629 -5.058 1.00 0.16 H new ATOM 0 HB3 TYR A 120 3.014 -4.610 -5.785 1.00 0.16 H new ATOM 0 HD1 TYR A 120 -0.256 -6.208 -6.321 1.00 0.23 H new ATOM 0 HD2 TYR A 120 2.623 -3.495 -7.887 1.00 0.28 H new ATOM 0 HE1 TYR A 120 -1.901 -5.423 -7.957 1.00 0.30 H new ATOM 0 HE2 TYR A 120 0.981 -2.707 -9.537 1.00 0.34 H new ATOM 0 HH TYR A 120 -2.383 -3.664 -9.396 1.00 0.42 H new ATOM 1785 N CYS A 121 4.024 -8.241 -4.928 1.00 0.14 N ATOM 1786 CA CYS A 121 4.887 -8.725 -3.870 1.00 0.15 C ATOM 1787 C CYS A 121 5.659 -9.958 -4.327 1.00 0.16 C ATOM 1788 O CYS A 121 6.755 -9.834 -4.869 1.00 0.18 O ATOM 1789 CB CYS A 121 4.058 -9.036 -2.630 1.00 0.14 C ATOM 1790 SG CYS A 121 3.106 -7.625 -2.016 1.00 0.16 S ATOM 0 H CYS A 121 3.357 -8.933 -5.270 1.00 0.14 H new ATOM 0 HA CYS A 121 5.611 -7.949 -3.623 1.00 0.15 H new ATOM 0 HB2 CYS A 121 3.373 -9.853 -2.858 1.00 0.14 H new ATOM 0 HB3 CYS A 121 4.721 -9.387 -1.839 1.00 0.14 H new ATOM 0 HG CYS A 121 1.848 -7.947 -1.947 1.00 0.16 H new ATOM 1796 N TYR A 122 5.096 -11.153 -4.118 1.00 0.16 N ATOM 1797 CA TYR A 122 5.754 -12.374 -4.565 1.00 0.18 C ATOM 1798 C TYR A 122 4.756 -13.400 -5.121 1.00 0.18 C ATOM 1799 O TYR A 122 4.909 -14.584 -4.854 1.00 0.20 O ATOM 1800 CB TYR A 122 6.524 -13.017 -3.407 1.00 0.19 C ATOM 1801 CG TYR A 122 7.303 -12.050 -2.543 1.00 0.20 C ATOM 1802 CD1 TYR A 122 8.574 -11.623 -2.912 1.00 0.21 C ATOM 1803 CD2 TYR A 122 6.761 -11.545 -1.371 1.00 0.19 C ATOM 1804 CE1 TYR A 122 9.275 -10.728 -2.139 1.00 0.23 C ATOM 1805 CE2 TYR A 122 7.458 -10.642 -0.593 1.00 0.20 C ATOM 1806 CZ TYR A 122 8.751 -10.308 -0.938 1.00 0.22 C ATOM 1807 OH TYR A 122 9.411 -9.334 -0.220 1.00 0.24 O ATOM 0 H TYR A 122 4.201 -11.295 -3.650 1.00 0.16 H new ATOM 0 HA TYR A 122 6.438 -12.089 -5.365 1.00 0.18 H new ATOM 0 HB2 TYR A 122 5.818 -13.557 -2.776 1.00 0.19 H new ATOM 0 HB3 TYR A 122 7.215 -13.754 -3.815 1.00 0.19 H new ATOM 0 HD1 TYR A 122 9.018 -12.001 -3.821 1.00 0.21 H new ATOM 0 HD2 TYR A 122 5.777 -11.863 -1.061 1.00 0.19 H new ATOM 0 HE1 TYR A 122 10.232 -10.356 -2.473 1.00 0.23 H new ATOM 0 HE2 TYR A 122 6.995 -10.201 0.278 1.00 0.20 H new ATOM 0 HH TYR A 122 8.765 -8.829 0.317 1.00 0.24 H new ATOM 1817 N GLY A 123 3.757 -12.949 -5.897 1.00 0.19 N ATOM 1818 CA GLY A 123 2.746 -13.853 -6.455 1.00 0.21 C ATOM 1819 C GLY A 123 3.320 -15.117 -7.070 1.00 0.21 C ATOM 1820 O GLY A 123 3.318 -16.167 -6.440 1.00 0.25 O ATOM 0 H GLY A 123 3.631 -11.969 -6.149 1.00 0.19 H new ATOM 0 HA2 GLY A 123 2.046 -14.130 -5.666 1.00 0.21 H new ATOM 0 HA3 GLY A 123 2.175 -13.319 -7.214 1.00 0.21 H new ATOM 1824 N PRO A 124 3.800 -15.057 -8.315 1.00 0.25 N ATOM 1825 CA PRO A 124 4.475 -16.178 -8.947 1.00 0.30 C ATOM 1826 C PRO A 124 5.975 -16.131 -8.680 1.00 0.30 C ATOM 1827 O PRO A 124 6.769 -16.804 -9.340 1.00 0.34 O ATOM 1828 CB PRO A 124 4.183 -15.971 -10.435 1.00 0.37 C ATOM 1829 CG PRO A 124 3.765 -14.534 -10.594 1.00 0.58 C ATOM 1830 CD PRO A 124 3.712 -13.908 -9.220 1.00 0.32 C ATOM 0 HA PRO A 124 4.136 -17.144 -8.574 1.00 0.30 H new ATOM 0 HB2 PRO A 124 5.066 -16.187 -11.037 1.00 0.37 H new ATOM 0 HB3 PRO A 124 3.395 -16.644 -10.773 1.00 0.37 H new ATOM 0 HG2 PRO A 124 4.472 -14.000 -11.229 1.00 0.58 H new ATOM 0 HG3 PRO A 124 2.791 -14.472 -11.079 1.00 0.58 H new ATOM 0 HD2 PRO A 124 4.536 -13.211 -9.065 1.00 0.32 H new ATOM 0 HD3 PRO A 124 2.789 -13.349 -9.069 1.00 0.32 H new ATOM 1838 N GLN A 125 6.350 -15.320 -7.701 1.00 0.27 N ATOM 1839 CA GLN A 125 7.746 -15.062 -7.400 1.00 0.30 C ATOM 1840 C GLN A 125 8.163 -15.834 -6.163 1.00 0.32 C ATOM 1841 O GLN A 125 9.176 -16.534 -6.145 1.00 0.39 O ATOM 1842 CB GLN A 125 7.933 -13.565 -7.172 1.00 0.30 C ATOM 1843 CG GLN A 125 7.395 -12.713 -8.307 1.00 0.33 C ATOM 1844 CD GLN A 125 7.406 -11.235 -7.981 1.00 0.35 C ATOM 1845 OE1 GLN A 125 8.393 -10.540 -8.209 1.00 0.65 O ATOM 1846 NE2 GLN A 125 6.289 -10.745 -7.466 1.00 0.29 N ATOM 0 H GLN A 125 5.695 -14.825 -7.096 1.00 0.27 H new ATOM 0 HA GLN A 125 8.368 -15.386 -8.235 1.00 0.30 H new ATOM 0 HB2 GLN A 125 7.434 -13.281 -6.245 1.00 0.30 H new ATOM 0 HB3 GLN A 125 8.994 -13.354 -7.040 1.00 0.30 H new ATOM 0 HG2 GLN A 125 7.992 -12.888 -9.202 1.00 0.33 H new ATOM 0 HG3 GLN A 125 6.376 -13.023 -8.537 1.00 0.33 H new ATOM 0 HE21 GLN A 125 5.494 -11.360 -7.294 1.00 0.29 H new ATOM 0 HE22 GLN A 125 6.223 -9.752 -7.242 1.00 0.29 H new ATOM 1855 N GLY A 126 7.345 -15.715 -5.140 1.00 0.27 N ATOM 1856 CA GLY A 126 7.650 -16.299 -3.865 1.00 0.27 C ATOM 1857 C GLY A 126 8.597 -15.445 -3.064 1.00 0.28 C ATOM 1858 O GLY A 126 9.500 -14.809 -3.605 1.00 0.30 O ATOM 0 H GLY A 126 6.458 -15.213 -5.174 1.00 0.27 H new ATOM 0 HA2 GLY A 126 6.728 -16.443 -3.302 1.00 0.27 H new ATOM 0 HA3 GLY A 126 8.089 -17.285 -4.014 1.00 0.27 H new ATOM 1862 N SER A 127 8.371 -15.412 -1.771 1.00 0.27 N ATOM 1863 CA SER A 127 9.136 -14.559 -0.888 1.00 0.28 C ATOM 1864 C SER A 127 10.378 -15.258 -0.325 1.00 0.32 C ATOM 1865 O SER A 127 10.516 -16.478 -0.407 1.00 0.33 O ATOM 1866 CB SER A 127 8.218 -14.032 0.229 1.00 0.27 C ATOM 1867 OG SER A 127 8.949 -13.422 1.282 1.00 0.30 O ATOM 0 H SER A 127 7.657 -15.971 -1.303 1.00 0.27 H new ATOM 0 HA SER A 127 9.513 -13.716 -1.467 1.00 0.28 H new ATOM 0 HB2 SER A 127 7.517 -13.310 -0.190 1.00 0.27 H new ATOM 0 HB3 SER A 127 7.626 -14.855 0.629 1.00 0.27 H new ATOM 0 HG SER A 127 8.394 -13.390 2.089 1.00 0.30 H new ATOM 1873 N ARG A 128 11.284 -14.444 0.236 1.00 0.38 N ATOM 1874 CA ARG A 128 12.619 -14.885 0.630 1.00 0.42 C ATOM 1875 C ARG A 128 12.589 -15.966 1.711 1.00 0.42 C ATOM 1876 O ARG A 128 13.542 -16.730 1.851 1.00 0.52 O ATOM 1877 CB ARG A 128 13.455 -13.680 1.079 1.00 0.52 C ATOM 1878 CG ARG A 128 12.952 -12.994 2.342 1.00 1.12 C ATOM 1879 CD ARG A 128 13.702 -11.693 2.612 1.00 1.41 C ATOM 1880 NE ARG A 128 15.154 -11.887 2.659 1.00 1.81 N ATOM 1881 CZ ARG A 128 16.024 -10.963 3.075 1.00 2.33 C ATOM 1882 NH1 ARG A 128 15.592 -9.779 3.509 1.00 2.45 N ATOM 1883 NH2 ARG A 128 17.325 -11.231 3.071 1.00 3.17 N ATOM 0 H ARG A 128 11.105 -13.458 0.428 1.00 0.38 H new ATOM 0 HA ARG A 128 13.085 -15.341 -0.244 1.00 0.42 H new ATOM 0 HB2 ARG A 128 14.481 -14.008 1.244 1.00 0.52 H new ATOM 0 HB3 ARG A 128 13.479 -12.950 0.270 1.00 0.52 H new ATOM 0 HG2 ARG A 128 11.886 -12.787 2.244 1.00 1.12 H new ATOM 0 HG3 ARG A 128 13.069 -13.665 3.193 1.00 1.12 H new ATOM 0 HD2 ARG A 128 13.460 -10.968 1.835 1.00 1.41 H new ATOM 0 HD3 ARG A 128 13.363 -11.271 3.558 1.00 1.41 H new ATOM 0 HE ARG A 128 15.524 -12.787 2.354 1.00 1.81 H new ATOM 0 HH11 ARG A 128 14.593 -9.575 3.525 1.00 2.45 H new ATOM 0 HH12 ARG A 128 16.261 -9.077 3.826 1.00 2.45 H new ATOM 0 HH21 ARG A 128 17.657 -12.141 2.751 1.00 3.17 H new ATOM 0 HH22 ARG A 128 17.992 -10.527 3.388 1.00 3.17 H new ATOM 1897 N SER A 129 11.510 -16.034 2.473 1.00 0.42 N ATOM 1898 CA SER A 129 11.347 -17.122 3.420 1.00 0.44 C ATOM 1899 C SER A 129 10.306 -18.105 2.876 1.00 0.41 C ATOM 1900 O SER A 129 10.653 -19.235 2.531 1.00 0.44 O ATOM 1901 CB SER A 129 11.011 -16.593 4.825 1.00 0.48 C ATOM 1902 OG SER A 129 11.056 -17.631 5.791 1.00 1.23 O ATOM 0 H SER A 129 10.745 -15.359 2.455 1.00 0.42 H new ATOM 0 HA SER A 129 12.287 -17.662 3.533 1.00 0.44 H new ATOM 0 HB2 SER A 129 11.716 -15.808 5.099 1.00 0.48 H new ATOM 0 HB3 SER A 129 10.019 -16.142 4.818 1.00 0.48 H new ATOM 0 HG SER A 129 10.840 -17.265 6.674 1.00 1.23 H new ATOM 1908 N PRO A 130 9.023 -17.705 2.762 1.00 0.37 N ATOM 1909 CA PRO A 130 8.005 -18.499 2.100 1.00 0.36 C ATOM 1910 C PRO A 130 7.758 -18.032 0.680 1.00 0.32 C ATOM 1911 O PRO A 130 7.567 -16.847 0.447 1.00 0.27 O ATOM 1912 CB PRO A 130 6.742 -18.187 2.917 1.00 0.37 C ATOM 1913 CG PRO A 130 7.128 -17.084 3.853 1.00 0.37 C ATOM 1914 CD PRO A 130 8.401 -16.507 3.310 1.00 0.37 C ATOM 0 HA PRO A 130 8.287 -19.551 2.049 1.00 0.36 H new ATOM 0 HB2 PRO A 130 5.922 -17.881 2.268 1.00 0.37 H new ATOM 0 HB3 PRO A 130 6.403 -19.066 3.466 1.00 0.37 H new ATOM 0 HG2 PRO A 130 6.347 -16.325 3.905 1.00 0.37 H new ATOM 0 HG3 PRO A 130 7.272 -17.463 4.865 1.00 0.37 H new ATOM 0 HD2 PRO A 130 8.221 -15.748 2.549 1.00 0.37 H new ATOM 0 HD3 PRO A 130 9.009 -16.042 4.086 1.00 0.37 H new ATOM 1922 N TYR A 131 7.777 -18.932 -0.267 1.00 0.33 N ATOM 1923 CA TYR A 131 7.106 -18.672 -1.518 1.00 0.32 C ATOM 1924 C TYR A 131 5.648 -18.351 -1.202 1.00 0.30 C ATOM 1925 O TYR A 131 4.849 -19.250 -0.931 1.00 0.32 O ATOM 1926 CB TYR A 131 7.212 -19.872 -2.466 1.00 0.36 C ATOM 1927 CG TYR A 131 6.363 -19.748 -3.718 1.00 0.45 C ATOM 1928 CD1 TYR A 131 5.041 -20.165 -3.730 1.00 0.78 C ATOM 1929 CD2 TYR A 131 6.888 -19.210 -4.886 1.00 1.00 C ATOM 1930 CE1 TYR A 131 4.268 -20.057 -4.869 1.00 0.87 C ATOM 1931 CE2 TYR A 131 6.125 -19.100 -6.025 1.00 1.14 C ATOM 1932 CZ TYR A 131 4.802 -19.518 -6.003 1.00 0.81 C ATOM 1933 OH TYR A 131 4.054 -19.406 -7.154 1.00 1.00 O ATOM 0 H TYR A 131 8.241 -19.838 -0.202 1.00 0.33 H new ATOM 0 HA TYR A 131 7.577 -17.831 -2.027 1.00 0.32 H new ATOM 0 HB2 TYR A 131 8.254 -20.000 -2.758 1.00 0.36 H new ATOM 0 HB3 TYR A 131 6.918 -20.774 -1.928 1.00 0.36 H new ATOM 0 HD1 TYR A 131 4.608 -20.582 -2.833 1.00 0.78 H new ATOM 0 HD2 TYR A 131 7.914 -18.872 -4.900 1.00 1.00 H new ATOM 0 HE1 TYR A 131 3.243 -20.398 -4.862 1.00 0.87 H new ATOM 0 HE2 TYR A 131 6.552 -18.692 -6.929 1.00 1.14 H new ATOM 0 HH TYR A 131 3.154 -19.761 -6.995 1.00 1.00 H new ATOM 1943 N ILE A 132 5.336 -17.061 -1.153 1.00 0.27 N ATOM 1944 CA ILE A 132 3.974 -16.622 -0.906 1.00 0.26 C ATOM 1945 C ILE A 132 3.103 -17.066 -2.087 1.00 0.25 C ATOM 1946 O ILE A 132 3.481 -16.855 -3.238 1.00 0.25 O ATOM 1947 CB ILE A 132 3.863 -15.071 -0.775 1.00 0.25 C ATOM 1948 CG1 ILE A 132 4.393 -14.488 0.547 1.00 0.39 C ATOM 1949 CG2 ILE A 132 2.413 -14.672 -0.877 1.00 0.26 C ATOM 1950 CD1 ILE A 132 5.187 -15.417 1.418 1.00 0.23 C ATOM 0 H ILE A 132 6.008 -16.305 -1.281 1.00 0.27 H new ATOM 0 HA ILE A 132 3.646 -17.064 0.035 1.00 0.26 H new ATOM 0 HB ILE A 132 4.483 -14.673 -1.578 1.00 0.25 H new ATOM 0 HG12 ILE A 132 5.015 -13.624 0.314 1.00 0.39 H new ATOM 0 HG13 ILE A 132 3.543 -14.123 1.124 1.00 0.39 H new ATOM 0 HG21 ILE A 132 2.326 -13.589 -0.786 1.00 0.26 H new ATOM 0 HG22 ILE A 132 2.016 -14.988 -1.841 1.00 0.26 H new ATOM 0 HG23 ILE A 132 1.847 -15.149 -0.077 1.00 0.26 H new ATOM 0 HD11 ILE A 132 5.504 -14.890 2.318 1.00 0.23 H new ATOM 0 HD12 ILE A 132 4.570 -16.271 1.696 1.00 0.23 H new ATOM 0 HD13 ILE A 132 6.065 -15.765 0.873 1.00 0.23 H new ATOM 1962 N PRO A 133 1.952 -17.710 -1.825 1.00 0.27 N ATOM 1963 CA PRO A 133 1.024 -18.137 -2.882 1.00 0.28 C ATOM 1964 C PRO A 133 0.630 -16.988 -3.820 1.00 0.26 C ATOM 1965 O PRO A 133 0.550 -15.827 -3.401 1.00 0.26 O ATOM 1966 CB PRO A 133 -0.206 -18.647 -2.114 1.00 0.34 C ATOM 1967 CG PRO A 133 -0.015 -18.213 -0.698 1.00 0.61 C ATOM 1968 CD PRO A 133 1.468 -18.090 -0.493 1.00 0.31 C ATOM 0 HA PRO A 133 1.477 -18.889 -3.528 1.00 0.28 H new ATOM 0 HB2 PRO A 133 -1.125 -18.232 -2.529 1.00 0.34 H new ATOM 0 HB3 PRO A 133 -0.287 -19.732 -2.182 1.00 0.34 H new ATOM 0 HG2 PRO A 133 -0.514 -17.262 -0.512 1.00 0.61 H new ATOM 0 HG3 PRO A 133 -0.444 -18.939 -0.007 1.00 0.61 H new ATOM 0 HD2 PRO A 133 1.711 -17.336 0.256 1.00 0.31 H new ATOM 0 HD3 PRO A 133 1.908 -19.028 -0.155 1.00 0.31 H new ATOM 1976 N PRO A 134 0.382 -17.294 -5.110 1.00 0.27 N ATOM 1977 CA PRO A 134 0.028 -16.279 -6.105 1.00 0.25 C ATOM 1978 C PRO A 134 -1.200 -15.467 -5.719 1.00 0.27 C ATOM 1979 O PRO A 134 -2.187 -16.004 -5.217 1.00 0.32 O ATOM 1980 CB PRO A 134 -0.243 -17.084 -7.376 1.00 0.29 C ATOM 1981 CG PRO A 134 0.508 -18.355 -7.185 1.00 0.52 C ATOM 1982 CD PRO A 134 0.454 -18.643 -5.709 1.00 0.33 C ATOM 0 HA PRO A 134 0.825 -15.543 -6.214 1.00 0.25 H new ATOM 0 HB2 PRO A 134 -1.309 -17.270 -7.507 1.00 0.29 H new ATOM 0 HB3 PRO A 134 0.099 -16.551 -8.263 1.00 0.29 H new ATOM 0 HG2 PRO A 134 0.058 -19.165 -7.759 1.00 0.52 H new ATOM 0 HG3 PRO A 134 1.538 -18.256 -7.527 1.00 0.52 H new ATOM 0 HD2 PRO A 134 -0.414 -19.248 -5.447 1.00 0.33 H new ATOM 0 HD3 PRO A 134 1.336 -19.188 -5.372 1.00 0.33 H new ATOM 1990 N HIS A 135 -1.101 -14.164 -5.959 1.00 0.26 N ATOM 1991 CA HIS A 135 -2.157 -13.182 -5.675 1.00 0.31 C ATOM 1992 C HIS A 135 -2.665 -13.237 -4.229 1.00 0.32 C ATOM 1993 O HIS A 135 -3.752 -12.752 -3.927 1.00 0.44 O ATOM 1994 CB HIS A 135 -3.318 -13.268 -6.694 1.00 0.41 C ATOM 1995 CG HIS A 135 -4.349 -14.339 -6.457 1.00 0.87 C ATOM 1996 ND1 HIS A 135 -5.445 -14.145 -5.653 1.00 1.81 N ATOM 1997 CD2 HIS A 135 -4.471 -15.597 -6.951 1.00 1.64 C ATOM 1998 CE1 HIS A 135 -6.195 -15.228 -5.656 1.00 2.38 C ATOM 1999 NE2 HIS A 135 -5.628 -16.128 -6.437 1.00 2.25 N ATOM 0 H HIS A 135 -0.265 -13.745 -6.367 1.00 0.26 H new ATOM 0 HA HIS A 135 -1.690 -12.204 -5.792 1.00 0.31 H new ATOM 0 HB2 HIS A 135 -3.827 -12.304 -6.712 1.00 0.41 H new ATOM 0 HB3 HIS A 135 -2.890 -13.421 -7.685 1.00 0.41 H new ATOM 0 HD1 HIS A 135 -5.648 -13.292 -5.132 1.00 1.81 H new ATOM 0 HD2 HIS A 135 -3.785 -16.089 -7.624 1.00 1.64 H new ATOM 0 HE1 HIS A 135 -7.118 -15.358 -5.111 1.00 2.38 H new ATOM 2008 N ALA A 136 -1.862 -13.787 -3.329 1.00 0.24 N ATOM 2009 CA ALA A 136 -2.185 -13.731 -1.915 1.00 0.24 C ATOM 2010 C ALA A 136 -1.893 -12.332 -1.396 1.00 0.21 C ATOM 2011 O ALA A 136 -0.832 -11.774 -1.666 1.00 0.22 O ATOM 2012 CB ALA A 136 -1.401 -14.772 -1.139 1.00 0.26 C ATOM 0 H ALA A 136 -0.992 -14.271 -3.551 1.00 0.24 H new ATOM 0 HA ALA A 136 -3.243 -13.953 -1.777 1.00 0.24 H new ATOM 0 HB1 ALA A 136 -1.661 -14.710 -0.082 1.00 0.26 H new ATOM 0 HB2 ALA A 136 -1.645 -15.766 -1.515 1.00 0.26 H new ATOM 0 HB3 ALA A 136 -0.333 -14.590 -1.262 1.00 0.26 H new ATOM 2018 N ALA A 137 -2.822 -11.767 -0.658 1.00 0.18 N ATOM 2019 CA ALA A 137 -2.714 -10.375 -0.265 1.00 0.19 C ATOM 2020 C ALA A 137 -1.674 -10.207 0.837 1.00 0.16 C ATOM 2021 O ALA A 137 -1.836 -10.712 1.947 1.00 0.20 O ATOM 2022 CB ALA A 137 -4.068 -9.839 0.170 1.00 0.22 C ATOM 0 H ALA A 137 -3.657 -12.244 -0.318 1.00 0.18 H new ATOM 0 HA ALA A 137 -2.383 -9.795 -1.127 1.00 0.19 H new ATOM 0 HB1 ALA A 137 -3.969 -8.793 0.462 1.00 0.22 H new ATOM 0 HB2 ALA A 137 -4.774 -9.920 -0.657 1.00 0.22 H new ATOM 0 HB3 ALA A 137 -4.434 -10.419 1.017 1.00 0.22 H new ATOM 2028 N LEU A 138 -0.596 -9.520 0.512 1.00 0.13 N ATOM 2029 CA LEU A 138 0.485 -9.299 1.454 1.00 0.12 C ATOM 2030 C LEU A 138 0.278 -7.994 2.206 1.00 0.13 C ATOM 2031 O LEU A 138 -0.030 -6.965 1.607 1.00 0.15 O ATOM 2032 CB LEU A 138 1.824 -9.268 0.721 1.00 0.13 C ATOM 2033 CG LEU A 138 2.840 -10.286 1.221 1.00 0.15 C ATOM 2034 CD1 LEU A 138 2.221 -11.662 1.232 1.00 0.22 C ATOM 2035 CD2 LEU A 138 4.082 -10.274 0.356 1.00 0.19 C ATOM 0 H LEU A 138 -0.445 -9.102 -0.406 1.00 0.13 H new ATOM 0 HA LEU A 138 0.490 -10.120 2.171 1.00 0.12 H new ATOM 0 HB2 LEU A 138 1.647 -9.441 -0.341 1.00 0.13 H new ATOM 0 HB3 LEU A 138 2.252 -8.270 0.814 1.00 0.13 H new ATOM 0 HG LEU A 138 3.132 -10.018 2.236 1.00 0.15 H new ATOM 0 HD11 LEU A 138 2.952 -12.387 1.590 1.00 0.22 H new ATOM 0 HD12 LEU A 138 1.353 -11.665 1.891 1.00 0.22 H new ATOM 0 HD13 LEU A 138 1.910 -11.929 0.222 1.00 0.22 H new ATOM 0 HD21 LEU A 138 4.794 -11.009 0.732 1.00 0.19 H new ATOM 0 HD22 LEU A 138 3.813 -10.522 -0.671 1.00 0.19 H new ATOM 0 HD23 LEU A 138 4.535 -9.283 0.383 1.00 0.19 H new ATOM 2047 N CYS A 139 0.446 -8.040 3.513 1.00 0.13 N ATOM 2048 CA CYS A 139 0.297 -6.860 4.342 1.00 0.14 C ATOM 2049 C CYS A 139 1.620 -6.563 5.040 1.00 0.13 C ATOM 2050 O CYS A 139 1.968 -7.185 6.040 1.00 0.14 O ATOM 2051 CB CYS A 139 -0.808 -7.086 5.364 1.00 0.18 C ATOM 2052 SG CYS A 139 -1.448 -5.571 6.121 1.00 1.20 S ATOM 0 H CYS A 139 0.687 -8.888 4.026 1.00 0.13 H new ATOM 0 HA CYS A 139 0.025 -6.006 3.722 1.00 0.14 H new ATOM 0 HB2 CYS A 139 -1.631 -7.612 4.881 1.00 0.18 H new ATOM 0 HB3 CYS A 139 -0.431 -7.739 6.151 1.00 0.18 H new ATOM 0 HG CYS A 139 -2.194 -4.939 5.264 1.00 1.20 H new ATOM 2058 N LEU A 140 2.347 -5.610 4.507 1.00 0.13 N ATOM 2059 CA LEU A 140 3.700 -5.330 4.958 1.00 0.14 C ATOM 2060 C LEU A 140 3.792 -3.974 5.645 1.00 0.13 C ATOM 2061 O LEU A 140 3.223 -2.993 5.184 1.00 0.12 O ATOM 2062 CB LEU A 140 4.656 -5.388 3.773 1.00 0.17 C ATOM 2063 CG LEU A 140 4.265 -4.499 2.603 1.00 0.17 C ATOM 2064 CD1 LEU A 140 5.144 -3.261 2.582 1.00 0.26 C ATOM 2065 CD2 LEU A 140 4.354 -5.262 1.292 1.00 0.32 C ATOM 0 H LEU A 140 2.024 -5.006 3.751 1.00 0.13 H new ATOM 0 HA LEU A 140 3.979 -6.088 5.690 1.00 0.14 H new ATOM 0 HB2 LEU A 140 5.652 -5.104 4.112 1.00 0.17 H new ATOM 0 HB3 LEU A 140 4.720 -6.419 3.424 1.00 0.17 H new ATOM 0 HG LEU A 140 3.229 -4.185 2.727 1.00 0.17 H new ATOM 0 HD11 LEU A 140 4.860 -2.627 1.742 1.00 0.26 H new ATOM 0 HD12 LEU A 140 5.016 -2.708 3.513 1.00 0.26 H new ATOM 0 HD13 LEU A 140 6.188 -3.557 2.476 1.00 0.26 H new ATOM 0 HD21 LEU A 140 4.070 -4.606 0.469 1.00 0.32 H new ATOM 0 HD22 LEU A 140 5.376 -5.610 1.142 1.00 0.32 H new ATOM 0 HD23 LEU A 140 3.680 -6.118 1.323 1.00 0.32 H new ATOM 2077 N GLU A 141 4.501 -3.932 6.756 1.00 0.14 N ATOM 2078 CA GLU A 141 4.656 -2.706 7.516 1.00 0.13 C ATOM 2079 C GLU A 141 6.058 -2.143 7.294 1.00 0.12 C ATOM 2080 O GLU A 141 7.047 -2.779 7.658 1.00 0.15 O ATOM 2081 CB GLU A 141 4.398 -3.015 8.988 1.00 0.18 C ATOM 2082 CG GLU A 141 4.573 -1.847 9.936 1.00 0.26 C ATOM 2083 CD GLU A 141 4.166 -2.237 11.341 1.00 0.30 C ATOM 2084 OE1 GLU A 141 4.761 -3.193 11.895 1.00 1.00 O ATOM 2085 OE2 GLU A 141 3.224 -1.626 11.881 1.00 1.05 O ATOM 0 H GLU A 141 4.982 -4.738 7.155 1.00 0.14 H new ATOM 0 HA GLU A 141 3.942 -1.951 7.188 1.00 0.13 H new ATOM 0 HB2 GLU A 141 3.381 -3.395 9.090 1.00 0.18 H new ATOM 0 HB3 GLU A 141 5.070 -3.816 9.297 1.00 0.18 H new ATOM 0 HG2 GLU A 141 5.613 -1.519 9.930 1.00 0.26 H new ATOM 0 HG3 GLU A 141 3.971 -1.004 9.598 1.00 0.26 H new ATOM 2092 N VAL A 142 6.147 -0.980 6.664 1.00 0.12 N ATOM 2093 CA VAL A 142 7.439 -0.408 6.313 1.00 0.12 C ATOM 2094 C VAL A 142 7.725 0.911 7.034 1.00 0.12 C ATOM 2095 O VAL A 142 6.972 1.877 6.925 1.00 0.15 O ATOM 2096 CB VAL A 142 7.585 -0.203 4.790 1.00 0.14 C ATOM 2097 CG1 VAL A 142 7.867 -1.529 4.108 1.00 0.19 C ATOM 2098 CG2 VAL A 142 6.335 0.437 4.200 1.00 0.19 C ATOM 0 H VAL A 142 5.344 -0.416 6.386 1.00 0.12 H new ATOM 0 HA VAL A 142 8.175 -1.139 6.646 1.00 0.12 H new ATOM 0 HB VAL A 142 8.424 0.471 4.618 1.00 0.14 H new ATOM 0 HG11 VAL A 142 7.968 -1.372 3.034 1.00 0.19 H new ATOM 0 HG12 VAL A 142 8.792 -1.951 4.501 1.00 0.19 H new ATOM 0 HG13 VAL A 142 7.044 -2.218 4.298 1.00 0.19 H new ATOM 0 HG21 VAL A 142 6.466 0.569 3.126 1.00 0.19 H new ATOM 0 HG22 VAL A 142 5.475 -0.207 4.384 1.00 0.19 H new ATOM 0 HG23 VAL A 142 6.168 1.407 4.667 1.00 0.19 H new ATOM 2108 N THR A 143 8.804 0.915 7.808 1.00 0.13 N ATOM 2109 CA THR A 143 9.336 2.133 8.417 1.00 0.13 C ATOM 2110 C THR A 143 10.360 2.790 7.503 1.00 0.12 C ATOM 2111 O THR A 143 11.445 2.246 7.299 1.00 0.15 O ATOM 2112 CB THR A 143 10.043 1.819 9.750 1.00 0.17 C ATOM 2113 OG1 THR A 143 9.276 0.867 10.502 1.00 0.28 O ATOM 2114 CG2 THR A 143 10.232 3.085 10.573 1.00 0.22 C ATOM 0 H THR A 143 9.337 0.075 8.033 1.00 0.13 H new ATOM 0 HA THR A 143 8.490 2.800 8.585 1.00 0.13 H new ATOM 0 HB THR A 143 11.023 1.399 9.525 1.00 0.17 H new ATOM 0 HG1 THR A 143 9.734 0.672 11.346 1.00 0.28 H new ATOM 0 HG21 THR A 143 10.733 2.839 11.509 1.00 0.22 H new ATOM 0 HG22 THR A 143 10.839 3.796 10.013 1.00 0.22 H new ATOM 0 HG23 THR A 143 9.260 3.528 10.787 1.00 0.22 H new ATOM 2122 N LEU A 144 10.027 3.950 6.963 1.00 0.13 N ATOM 2123 CA LEU A 144 10.993 4.724 6.207 1.00 0.12 C ATOM 2124 C LEU A 144 11.814 5.548 7.174 1.00 0.12 C ATOM 2125 O LEU A 144 11.419 6.635 7.580 1.00 0.14 O ATOM 2126 CB LEU A 144 10.303 5.622 5.181 1.00 0.14 C ATOM 2127 CG LEU A 144 11.243 6.427 4.288 1.00 0.12 C ATOM 2128 CD1 LEU A 144 12.194 5.505 3.543 1.00 0.15 C ATOM 2129 CD2 LEU A 144 10.443 7.275 3.312 1.00 0.13 C ATOM 0 H LEU A 144 9.102 4.373 7.034 1.00 0.13 H new ATOM 0 HA LEU A 144 11.643 4.047 5.654 1.00 0.12 H new ATOM 0 HB2 LEU A 144 9.668 5.002 4.548 1.00 0.14 H new ATOM 0 HB3 LEU A 144 9.648 6.314 5.710 1.00 0.14 H new ATOM 0 HG LEU A 144 11.837 7.090 4.917 1.00 0.12 H new ATOM 0 HD11 LEU A 144 12.856 6.098 2.912 1.00 0.15 H new ATOM 0 HD12 LEU A 144 12.788 4.938 4.260 1.00 0.15 H new ATOM 0 HD13 LEU A 144 11.621 4.816 2.922 1.00 0.15 H new ATOM 0 HD21 LEU A 144 11.125 7.844 2.681 1.00 0.13 H new ATOM 0 HD22 LEU A 144 9.826 6.628 2.688 1.00 0.13 H new ATOM 0 HD23 LEU A 144 9.803 7.962 3.866 1.00 0.13 H new ATOM 2141 N LYS A 145 12.940 4.995 7.560 1.00 0.14 N ATOM 2142 CA LYS A 145 13.745 5.565 8.616 1.00 0.17 C ATOM 2143 C LYS A 145 14.720 6.585 8.052 1.00 0.16 C ATOM 2144 O LYS A 145 15.031 7.587 8.697 1.00 0.21 O ATOM 2145 CB LYS A 145 14.509 4.452 9.334 1.00 0.26 C ATOM 2146 CG LYS A 145 13.658 3.220 9.621 1.00 0.40 C ATOM 2147 CD LYS A 145 14.480 2.075 10.196 1.00 0.60 C ATOM 2148 CE LYS A 145 15.546 1.622 9.214 1.00 0.38 C ATOM 2149 NZ LYS A 145 16.582 0.772 9.859 1.00 1.08 N ATOM 0 H LYS A 145 13.323 4.141 7.153 1.00 0.14 H new ATOM 0 HA LYS A 145 13.090 6.071 9.325 1.00 0.17 H new ATOM 0 HB2 LYS A 145 15.365 4.159 8.727 1.00 0.26 H new ATOM 0 HB3 LYS A 145 14.902 4.839 10.274 1.00 0.26 H new ATOM 0 HG2 LYS A 145 12.865 3.483 10.321 1.00 0.40 H new ATOM 0 HG3 LYS A 145 13.175 2.892 8.701 1.00 0.40 H new ATOM 0 HD2 LYS A 145 14.950 2.392 11.127 1.00 0.60 H new ATOM 0 HD3 LYS A 145 13.825 1.238 10.438 1.00 0.60 H new ATOM 0 HE2 LYS A 145 15.077 1.066 8.402 1.00 0.38 H new ATOM 0 HE3 LYS A 145 16.022 2.496 8.769 1.00 0.38 H new ATOM 0 HZ1 LYS A 145 17.457 0.807 9.299 1.00 1.08 H new ATOM 0 HZ2 LYS A 145 16.771 1.124 10.819 1.00 1.08 H new ATOM 0 HZ3 LYS A 145 16.243 -0.210 9.911 1.00 1.08 H new ATOM 2163 N THR A 146 15.199 6.332 6.840 1.00 0.16 N ATOM 2164 CA THR A 146 16.212 7.181 6.240 1.00 0.19 C ATOM 2165 C THR A 146 16.093 7.214 4.719 1.00 0.17 C ATOM 2166 O THR A 146 15.586 6.276 4.107 1.00 0.16 O ATOM 2167 CB THR A 146 17.622 6.676 6.595 1.00 0.25 C ATOM 2168 OG1 THR A 146 17.696 6.329 7.986 1.00 0.25 O ATOM 2169 CG2 THR A 146 18.680 7.723 6.282 1.00 0.37 C ATOM 0 H THR A 146 14.902 5.549 6.258 1.00 0.16 H new ATOM 0 HA THR A 146 16.054 8.184 6.637 1.00 0.19 H new ATOM 0 HB THR A 146 17.815 5.792 5.987 1.00 0.25 H new ATOM 0 HG1 THR A 146 17.463 5.384 8.100 1.00 0.25 H new ATOM 0 HG21 THR A 146 19.664 7.335 6.544 1.00 0.37 H new ATOM 0 HG22 THR A 146 18.655 7.959 5.218 1.00 0.37 H new ATOM 0 HG23 THR A 146 18.480 8.626 6.859 1.00 0.37 H new ATOM 2177 N ALA A 147 16.572 8.300 4.124 1.00 0.20 N ATOM 2178 CA ALA A 147 16.685 8.412 2.682 1.00 0.19 C ATOM 2179 C ALA A 147 18.014 9.063 2.331 1.00 0.22 C ATOM 2180 O ALA A 147 18.349 10.118 2.869 1.00 0.25 O ATOM 2181 CB ALA A 147 15.528 9.230 2.123 1.00 0.21 C ATOM 0 H ALA A 147 16.892 9.125 4.631 1.00 0.20 H new ATOM 0 HA ALA A 147 16.644 7.417 2.238 1.00 0.19 H new ATOM 0 HB1 ALA A 147 15.626 9.306 1.040 1.00 0.21 H new ATOM 0 HB2 ALA A 147 14.585 8.742 2.369 1.00 0.21 H new ATOM 0 HB3 ALA A 147 15.544 10.229 2.560 1.00 0.21 H new ATOM 2187 N VAL A 148 18.778 8.438 1.449 1.00 0.24 N ATOM 2188 CA VAL A 148 20.048 8.985 1.034 1.00 0.31 C ATOM 2189 C VAL A 148 19.990 9.343 -0.430 1.00 0.34 C ATOM 2190 O VAL A 148 19.894 8.466 -1.298 1.00 0.36 O ATOM 2191 CB VAL A 148 21.206 7.997 1.222 1.00 0.42 C ATOM 2192 CG1 VAL A 148 22.506 8.751 1.380 1.00 0.92 C ATOM 2193 CG2 VAL A 148 20.969 7.066 2.403 1.00 0.75 C ATOM 0 H VAL A 148 18.535 7.550 1.009 1.00 0.24 H new ATOM 0 HA VAL A 148 20.230 9.860 1.658 1.00 0.31 H new ATOM 0 HB VAL A 148 21.265 7.372 0.331 1.00 0.42 H new ATOM 0 HG11 VAL A 148 23.324 8.043 1.513 1.00 0.92 H new ATOM 0 HG12 VAL A 148 22.688 9.352 0.489 1.00 0.92 H new ATOM 0 HG13 VAL A 148 22.445 9.403 2.252 1.00 0.92 H new ATOM 0 HG21 VAL A 148 21.812 6.382 2.502 1.00 0.75 H new ATOM 0 HG22 VAL A 148 20.870 7.654 3.315 1.00 0.75 H new ATOM 0 HG23 VAL A 148 20.056 6.495 2.238 1.00 0.75 H new