USER MOD reduce.3.24.130724 H: found=0, std=0, add=832, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 0 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -149:sc= -0.068 (180deg=-0.474) USER MOD Single : A 23 SER OG : rot 40:sc= -3.88! USER MOD Single : A 25 ASN : amide:sc= -0.336 K(o=-0.34,f=-3.2!) USER MOD Single : A 26 HIS : no HE2:sc= -11.4! C(o=-11!,f=-14!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -137:sc= -0.246 (180deg=-0.656) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.322 USER MOD Single : A 41 ASN : amide:sc= 0.073 X(o=0.073,f=-0.0061) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00261) USER MOD Single : A 55 SER OG : rot 71:sc= 0.666 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 180:sc= 0.00153 USER MOD Single : A 78 THR OG1 : rot -170:sc= -1.86! USER MOD Single : A 82 THR OG1 : rot -179:sc= -8.32! USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 THR OG1 : rot 113:sc= 0.98 USER MOD Single : A 107 HIS : no HE2:sc= -8.85! C(o=-8.9!,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 9 N ALA A 2 -1.510 8.301 7.300 1.00 0.00 N ATOM 10 CA ALA A 2 -1.787 9.041 6.036 1.00 0.00 C ATOM 11 C ALA A 2 -3.292 9.040 5.764 1.00 0.00 C ATOM 12 O ALA A 2 -3.738 9.379 4.686 1.00 0.00 O ATOM 13 CB ALA A 2 -1.059 8.360 4.874 1.00 0.00 C ATOM 0 HA ALA A 2 -1.435 10.068 6.133 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -1.262 8.902 3.950 1.00 0.00 H new ATOM 0 HB2 ALA A 2 0.014 8.360 5.067 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -1.410 7.333 4.777 1.00 0.00 H new ATOM 14 N LYS A 3 -4.082 8.665 6.734 1.00 0.00 N ATOM 15 CA LYS A 3 -5.556 8.646 6.526 1.00 0.00 C ATOM 16 C LYS A 3 -6.087 10.076 6.580 1.00 0.00 C ATOM 17 O LYS A 3 -7.105 10.396 5.998 1.00 0.00 O ATOM 18 CB LYS A 3 -6.219 7.818 7.631 1.00 0.00 C ATOM 19 CG LYS A 3 -5.818 8.379 8.997 1.00 0.00 C ATOM 20 CD LYS A 3 -6.628 7.684 10.092 1.00 0.00 C ATOM 21 CE LYS A 3 -7.761 8.605 10.548 1.00 0.00 C ATOM 22 NZ LYS A 3 -8.278 8.143 11.868 1.00 0.00 N ATOM 0 H LYS A 3 -3.770 8.372 7.660 1.00 0.00 H new ATOM 0 HA LYS A 3 -5.783 8.203 5.556 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -7.303 7.844 7.519 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -5.915 6.774 7.551 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -4.752 8.226 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -5.994 9.454 9.026 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -7.036 6.745 9.717 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -5.983 7.437 10.936 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -7.401 9.631 10.626 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -8.564 8.604 9.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -9.048 8.769 12.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -8.637 7.171 11.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -7.510 8.166 12.569 1.00 0.00 H new ATOM 23 N ASP A 4 -5.405 10.937 7.278 1.00 0.00 N ATOM 24 CA ASP A 4 -5.863 12.349 7.377 1.00 0.00 C ATOM 25 C ASP A 4 -4.937 13.242 6.557 1.00 0.00 C ATOM 26 O ASP A 4 -5.207 14.408 6.346 1.00 0.00 O ATOM 27 CB ASP A 4 -5.810 12.790 8.836 1.00 0.00 C ATOM 28 CG ASP A 4 -7.138 12.466 9.521 1.00 0.00 C ATOM 29 OD1 ASP A 4 -7.592 11.341 9.386 1.00 0.00 O ATOM 30 OD2 ASP A 4 -7.679 13.347 10.169 1.00 0.00 O ATOM 0 H ASP A 4 -4.547 10.723 7.786 1.00 0.00 H new ATOM 0 HA ASP A 4 -6.882 12.429 6.999 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -4.992 12.284 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -5.611 13.860 8.896 1.00 0.00 H new ATOM 31 N LEU A 5 -3.839 12.709 6.103 1.00 0.00 N ATOM 32 CA LEU A 5 -2.890 13.531 5.312 1.00 0.00 C ATOM 33 C LEU A 5 -3.249 13.455 3.829 1.00 0.00 C ATOM 34 O LEU A 5 -3.227 14.448 3.128 1.00 0.00 O ATOM 35 CB LEU A 5 -1.472 12.994 5.516 1.00 0.00 C ATOM 36 CG LEU A 5 -0.485 13.818 4.690 1.00 0.00 C ATOM 37 CD1 LEU A 5 0.803 14.018 5.489 1.00 0.00 C ATOM 38 CD2 LEU A 5 -0.168 13.074 3.390 1.00 0.00 C ATOM 0 H LEU A 5 -3.559 11.739 6.247 1.00 0.00 H new ATOM 0 HA LEU A 5 -2.947 14.568 5.643 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.204 13.039 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.423 11.946 5.219 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.923 14.789 4.458 1.00 0.00 H new ATOM 0 HD11 LEU A 5 1.508 14.606 4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 5 0.578 14.544 6.417 1.00 0.00 H new ATOM 0 HD13 LEU A 5 1.243 13.048 5.719 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.536 13.659 2.798 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.272 12.105 3.624 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -1.086 12.928 2.821 1.00 0.00 H new ATOM 39 N LEU A 6 -3.561 12.287 3.336 1.00 0.00 N ATOM 40 CA LEU A 6 -3.895 12.171 1.890 1.00 0.00 C ATOM 41 C LEU A 6 -4.852 11.001 1.641 1.00 0.00 C ATOM 42 O LEU A 6 -4.759 9.967 2.273 1.00 0.00 O ATOM 43 CB LEU A 6 -2.602 11.937 1.110 1.00 0.00 C ATOM 44 CG LEU A 6 -1.945 10.634 1.575 1.00 0.00 C ATOM 45 CD1 LEU A 6 -2.357 9.492 0.644 1.00 0.00 C ATOM 46 CD2 LEU A 6 -0.422 10.793 1.541 1.00 0.00 C ATOM 0 H LEU A 6 -3.599 11.417 3.867 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.383 13.089 1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -2.815 11.887 0.042 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -1.919 12.773 1.260 1.00 0.00 H new ATOM 0 HG LEU A 6 -2.267 10.408 2.591 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.889 8.565 0.976 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -3.441 9.379 0.665 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -2.035 9.717 -0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.048 9.867 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.102 11.019 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.126 11.606 2.203 1.00 0.00 H new ATOM 47 N LYS A 7 -5.757 11.150 0.706 1.00 0.00 N ATOM 48 CA LYS A 7 -6.696 10.063 0.383 1.00 0.00 C ATOM 49 C LYS A 7 -7.600 9.776 1.569 1.00 0.00 C ATOM 50 O LYS A 7 -8.019 8.675 1.766 1.00 0.00 O ATOM 51 CB LYS A 7 -5.911 8.806 0.000 1.00 0.00 C ATOM 52 CG LYS A 7 -5.419 8.919 -1.449 1.00 0.00 C ATOM 53 CD LYS A 7 -4.928 10.342 -1.732 1.00 0.00 C ATOM 54 CE LYS A 7 -4.446 10.437 -3.181 1.00 0.00 C ATOM 55 NZ LYS A 7 -3.995 11.829 -3.467 1.00 0.00 N ATOM 0 H LYS A 7 -5.877 11.997 0.151 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.319 10.368 -0.458 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -5.063 8.677 0.672 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -6.542 7.924 0.111 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.612 8.207 -1.623 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -6.225 8.662 -2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.732 11.057 -1.557 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -4.118 10.601 -1.050 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.628 9.737 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.250 10.157 -3.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -3.668 11.892 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -4.787 12.487 -3.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.215 12.080 -2.826 1.00 0.00 H new ATOM 56 N ALA A 8 -7.943 10.754 2.347 1.00 0.00 N ATOM 57 CA ALA A 8 -8.867 10.469 3.472 1.00 0.00 C ATOM 58 C ALA A 8 -10.181 10.018 2.846 1.00 0.00 C ATOM 59 O ALA A 8 -10.736 8.985 3.172 1.00 0.00 O ATOM 60 CB ALA A 8 -9.088 11.733 4.308 1.00 0.00 C ATOM 0 H ALA A 8 -7.632 11.721 2.258 1.00 0.00 H new ATOM 0 HA ALA A 8 -8.460 9.704 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.768 11.511 5.131 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.134 12.076 4.708 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.520 12.513 3.681 1.00 0.00 H new ATOM 61 N ASP A 9 -10.660 10.792 1.921 1.00 0.00 N ATOM 62 CA ASP A 9 -11.931 10.438 1.222 1.00 0.00 C ATOM 63 C ASP A 9 -11.648 9.475 0.054 1.00 0.00 C ATOM 64 O ASP A 9 -12.428 8.577 -0.212 1.00 0.00 O ATOM 65 CB ASP A 9 -12.633 11.708 0.711 1.00 0.00 C ATOM 66 CG ASP A 9 -12.290 12.887 1.624 1.00 0.00 C ATOM 67 OD1 ASP A 9 -12.558 12.790 2.810 1.00 0.00 O ATOM 68 OD2 ASP A 9 -11.769 13.869 1.120 1.00 0.00 O ATOM 0 H ASP A 9 -10.227 11.662 1.613 1.00 0.00 H new ATOM 0 HA ASP A 9 -12.591 9.939 1.932 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -12.319 11.923 -0.311 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -13.712 11.555 0.688 1.00 0.00 H new ATOM 69 N ASP A 10 -10.534 9.608 -0.628 1.00 0.00 N ATOM 70 CA ASP A 10 -10.249 8.653 -1.725 1.00 0.00 C ATOM 71 C ASP A 10 -10.069 7.293 -1.071 1.00 0.00 C ATOM 72 O ASP A 10 -10.485 6.273 -1.583 1.00 0.00 O ATOM 73 CB ASP A 10 -8.974 9.065 -2.464 1.00 0.00 C ATOM 74 CG ASP A 10 -9.303 10.177 -3.464 1.00 0.00 C ATOM 75 OD1 ASP A 10 -10.321 10.826 -3.285 1.00 0.00 O ATOM 76 OD2 ASP A 10 -8.532 10.359 -4.391 1.00 0.00 O ATOM 0 H ASP A 10 -9.827 10.326 -0.470 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.057 8.633 -2.456 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -8.224 9.411 -1.753 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.549 8.207 -2.984 1.00 0.00 H new ATOM 77 N ILE A 11 -9.484 7.292 0.094 1.00 0.00 N ATOM 78 CA ILE A 11 -9.311 6.005 0.840 1.00 0.00 C ATOM 79 C ILE A 11 -10.696 5.376 0.981 1.00 0.00 C ATOM 80 O ILE A 11 -10.887 4.201 0.750 1.00 0.00 O ATOM 81 CB ILE A 11 -8.725 6.264 2.248 1.00 0.00 C ATOM 82 CG1 ILE A 11 -7.195 6.279 2.186 1.00 0.00 C ATOM 83 CG2 ILE A 11 -9.156 5.156 3.219 1.00 0.00 C ATOM 84 CD1 ILE A 11 -6.649 7.264 3.226 1.00 0.00 C ATOM 0 H ILE A 11 -9.118 8.120 0.564 1.00 0.00 H new ATOM 0 HA ILE A 11 -8.626 5.350 0.303 1.00 0.00 H new ATOM 0 HB ILE A 11 -9.097 7.227 2.597 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -6.803 5.280 2.376 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.864 6.567 1.188 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.736 5.353 4.205 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -10.244 5.134 3.286 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.795 4.194 2.856 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -5.560 7.274 3.181 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.030 8.263 3.016 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.968 6.956 4.222 1.00 0.00 H new ATOM 85 N LYS A 12 -11.659 6.165 1.369 1.00 0.00 N ATOM 86 CA LYS A 12 -13.042 5.640 1.543 1.00 0.00 C ATOM 87 C LYS A 12 -13.476 4.869 0.293 1.00 0.00 C ATOM 88 O LYS A 12 -14.201 3.896 0.376 1.00 0.00 O ATOM 89 CB LYS A 12 -13.999 6.811 1.770 1.00 0.00 C ATOM 90 CG LYS A 12 -14.390 6.872 3.247 1.00 0.00 C ATOM 91 CD LYS A 12 -15.310 8.071 3.480 1.00 0.00 C ATOM 92 CE LYS A 12 -16.674 7.579 3.968 1.00 0.00 C ATOM 93 NZ LYS A 12 -17.754 8.299 3.237 1.00 0.00 N ATOM 0 H LYS A 12 -11.546 7.158 1.574 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.063 4.968 2.401 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -13.525 7.745 1.470 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -14.889 6.692 1.152 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -14.894 5.951 3.539 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.498 6.958 3.867 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -14.869 8.744 4.216 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -15.425 8.640 2.557 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -16.764 6.505 3.806 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -16.771 7.748 5.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -18.681 7.964 3.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.671 9.321 3.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -17.665 8.116 2.217 1.00 0.00 H new ATOM 94 N LYS A 13 -13.050 5.292 -0.866 1.00 0.00 N ATOM 95 CA LYS A 13 -13.455 4.579 -2.106 1.00 0.00 C ATOM 96 C LYS A 13 -12.510 3.404 -2.353 1.00 0.00 C ATOM 97 O LYS A 13 -12.865 2.440 -3.006 1.00 0.00 O ATOM 98 CB LYS A 13 -13.387 5.541 -3.296 1.00 0.00 C ATOM 99 CG LYS A 13 -13.925 6.916 -2.886 1.00 0.00 C ATOM 100 CD LYS A 13 -15.436 6.830 -2.658 1.00 0.00 C ATOM 101 CE LYS A 13 -16.120 8.030 -3.315 1.00 0.00 C ATOM 102 NZ LYS A 13 -17.372 8.355 -2.575 1.00 0.00 N ATOM 0 H LYS A 13 -12.441 6.098 -1.006 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.474 4.210 -1.992 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.358 5.632 -3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.970 5.146 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.429 7.255 -1.977 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.705 7.650 -3.662 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.825 5.902 -3.076 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.653 6.814 -1.590 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.450 8.890 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -16.348 7.806 -4.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.837 9.171 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -18.012 7.536 -2.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -17.142 8.586 -1.587 1.00 0.00 H new ATOM 103 N ALA A 14 -11.303 3.472 -1.856 1.00 0.00 N ATOM 104 CA ALA A 14 -10.359 2.364 -2.097 1.00 0.00 C ATOM 105 C ALA A 14 -10.750 1.142 -1.257 1.00 0.00 C ATOM 106 O ALA A 14 -10.589 0.013 -1.674 1.00 0.00 O ATOM 107 CB ALA A 14 -8.940 2.808 -1.740 1.00 0.00 C ATOM 0 H ALA A 14 -10.940 4.245 -1.298 1.00 0.00 H new ATOM 0 HA ALA A 14 -10.396 2.091 -3.152 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.246 1.987 -1.919 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.660 3.662 -2.357 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -8.901 3.092 -0.688 1.00 0.00 H new ATOM 108 N LEU A 15 -11.270 1.361 -0.080 1.00 0.00 N ATOM 109 CA LEU A 15 -11.678 0.222 0.786 1.00 0.00 C ATOM 110 C LEU A 15 -12.974 -0.368 0.235 1.00 0.00 C ATOM 111 O LEU A 15 -13.119 -1.567 0.103 1.00 0.00 O ATOM 112 CB LEU A 15 -11.903 0.725 2.214 1.00 0.00 C ATOM 113 CG LEU A 15 -10.553 0.973 2.888 1.00 0.00 C ATOM 114 CD1 LEU A 15 -10.634 2.233 3.752 1.00 0.00 C ATOM 115 CD2 LEU A 15 -10.201 -0.225 3.770 1.00 0.00 C ATOM 0 H LEU A 15 -11.430 2.286 0.320 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.900 -0.541 0.797 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.488 1.645 2.199 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -12.476 -0.008 2.783 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.786 1.106 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.671 2.408 4.231 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.888 3.088 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.401 2.102 4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.239 -0.052 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.970 -0.355 4.531 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.142 -1.124 3.156 1.00 0.00 H new ATOM 116 N ASP A 16 -13.910 0.472 -0.109 1.00 0.00 N ATOM 117 CA ASP A 16 -15.189 -0.027 -0.683 1.00 0.00 C ATOM 118 C ASP A 16 -14.891 -0.773 -1.983 1.00 0.00 C ATOM 119 O ASP A 16 -15.692 -1.545 -2.473 1.00 0.00 O ATOM 120 CB ASP A 16 -16.099 1.163 -0.969 1.00 0.00 C ATOM 121 CG ASP A 16 -17.006 1.422 0.234 1.00 0.00 C ATOM 122 OD1 ASP A 16 -18.009 0.736 0.353 1.00 0.00 O ATOM 123 OD2 ASP A 16 -16.685 2.302 1.015 1.00 0.00 O ATOM 0 H ASP A 16 -13.843 1.486 -0.017 1.00 0.00 H new ATOM 0 HA ASP A 16 -15.681 -0.701 0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -15.499 2.048 -1.181 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -16.702 0.966 -1.855 1.00 0.00 H new ATOM 124 N ALA A 17 -13.731 -0.553 -2.534 1.00 0.00 N ATOM 125 CA ALA A 17 -13.342 -1.242 -3.788 1.00 0.00 C ATOM 126 C ALA A 17 -12.784 -2.618 -3.422 1.00 0.00 C ATOM 127 O ALA A 17 -12.887 -3.562 -4.181 1.00 0.00 O ATOM 128 CB ALA A 17 -12.259 -0.428 -4.498 1.00 0.00 C ATOM 0 H ALA A 17 -13.028 0.085 -2.161 1.00 0.00 H new ATOM 0 HA ALA A 17 -14.203 -1.345 -4.448 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -11.971 -0.932 -5.420 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -12.644 0.564 -4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -11.389 -0.335 -3.848 1.00 0.00 H new ATOM 129 N VAL A 18 -12.182 -2.741 -2.260 1.00 0.00 N ATOM 130 CA VAL A 18 -11.616 -4.060 -1.867 1.00 0.00 C ATOM 131 C VAL A 18 -12.027 -4.452 -0.432 1.00 0.00 C ATOM 132 O VAL A 18 -11.290 -5.127 0.257 1.00 0.00 O ATOM 133 CB VAL A 18 -10.098 -4.001 -1.913 1.00 0.00 C ATOM 134 CG1 VAL A 18 -9.635 -3.609 -3.317 1.00 0.00 C ATOM 135 CG2 VAL A 18 -9.597 -2.970 -0.900 1.00 0.00 C ATOM 0 H VAL A 18 -12.062 -1.991 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 18 -12.004 -4.800 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.692 -4.982 -1.665 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.546 -3.569 -3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -9.988 -4.348 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.041 -2.630 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -8.508 -2.927 -0.932 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.006 -1.990 -1.146 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.919 -3.257 0.101 1.00 0.00 H new ATOM 136 N LYS A 19 -13.171 -4.029 0.037 1.00 0.00 N ATOM 137 CA LYS A 19 -13.584 -4.371 1.433 1.00 0.00 C ATOM 138 C LYS A 19 -13.670 -5.891 1.628 1.00 0.00 C ATOM 139 O LYS A 19 -13.470 -6.394 2.716 1.00 0.00 O ATOM 140 CB LYS A 19 -14.952 -3.748 1.718 1.00 0.00 C ATOM 141 CG LYS A 19 -15.435 -4.188 3.102 1.00 0.00 C ATOM 142 CD LYS A 19 -16.676 -3.381 3.489 1.00 0.00 C ATOM 143 CE LYS A 19 -17.851 -4.331 3.721 1.00 0.00 C ATOM 144 NZ LYS A 19 -18.152 -5.066 2.460 1.00 0.00 N ATOM 0 H LYS A 19 -13.838 -3.461 -0.485 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.836 -3.978 2.121 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -14.885 -2.661 1.673 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -15.669 -4.055 0.956 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -15.668 -5.253 3.096 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -14.646 -4.038 3.839 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -16.479 -2.802 4.391 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -16.920 -2.669 2.700 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -17.611 -5.036 4.517 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -18.727 -3.770 4.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -19.169 -5.280 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.887 -4.478 1.644 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.610 -5.954 2.438 1.00 0.00 H new ATOM 145 N ALA A 20 -13.974 -6.627 0.596 1.00 0.00 N ATOM 146 CA ALA A 20 -14.080 -8.107 0.739 1.00 0.00 C ATOM 147 C ALA A 20 -12.785 -8.666 1.306 1.00 0.00 C ATOM 148 O ALA A 20 -11.809 -7.962 1.474 1.00 0.00 O ATOM 149 CB ALA A 20 -14.337 -8.739 -0.627 1.00 0.00 C ATOM 0 H ALA A 20 -14.154 -6.268 -0.342 1.00 0.00 H new ATOM 0 HA ALA A 20 -14.904 -8.338 1.414 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -14.414 -9.821 -0.519 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -15.267 -8.349 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -13.513 -8.499 -1.300 1.00 0.00 H new ATOM 150 N GLU A 21 -12.765 -9.933 1.600 1.00 0.00 N ATOM 151 CA GLU A 21 -11.527 -10.531 2.150 1.00 0.00 C ATOM 152 C GLU A 21 -10.769 -11.220 1.029 1.00 0.00 C ATOM 153 O GLU A 21 -10.661 -12.429 0.970 1.00 0.00 O ATOM 154 CB GLU A 21 -11.870 -11.534 3.253 1.00 0.00 C ATOM 155 CG GLU A 21 -11.922 -10.817 4.604 1.00 0.00 C ATOM 156 CD GLU A 21 -10.724 -11.243 5.456 1.00 0.00 C ATOM 157 OE1 GLU A 21 -10.797 -12.302 6.057 1.00 0.00 O ATOM 158 OE2 GLU A 21 -9.756 -10.502 5.494 1.00 0.00 O ATOM 0 H GLU A 21 -13.549 -10.575 1.483 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.904 -9.748 2.582 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -12.830 -12.005 3.043 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -11.124 -12.328 3.280 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.910 -9.737 4.455 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -12.852 -11.057 5.119 1.00 0.00 H new ATOM 159 N GLY A 22 -10.246 -10.438 0.141 1.00 0.00 N ATOM 160 CA GLY A 22 -9.479 -11.000 -1.007 1.00 0.00 C ATOM 161 C GLY A 22 -9.842 -10.241 -2.284 1.00 0.00 C ATOM 162 O GLY A 22 -9.474 -10.629 -3.374 1.00 0.00 O ATOM 0 H GLY A 22 -10.314 -9.420 0.155 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -8.409 -10.921 -0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -9.705 -12.060 -1.125 1.00 0.00 H new ATOM 163 N SER A 23 -10.566 -9.163 -2.158 1.00 0.00 N ATOM 164 CA SER A 23 -10.957 -8.382 -3.367 1.00 0.00 C ATOM 165 C SER A 23 -9.896 -7.321 -3.669 1.00 0.00 C ATOM 166 O SER A 23 -10.101 -6.445 -4.486 1.00 0.00 O ATOM 167 CB SER A 23 -12.300 -7.698 -3.115 1.00 0.00 C ATOM 168 OG SER A 23 -12.340 -7.221 -1.777 1.00 0.00 O ATOM 0 H SER A 23 -10.904 -8.789 -1.271 1.00 0.00 H new ATOM 0 HA SER A 23 -11.041 -9.057 -4.218 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.437 -6.871 -3.812 1.00 0.00 H new ATOM 0 HB3 SER A 23 -13.116 -8.399 -3.288 1.00 0.00 H new ATOM 0 HG SER A 23 -11.466 -6.847 -1.537 1.00 0.00 H new ATOM 169 N PHE A 24 -8.768 -7.382 -3.015 1.00 0.00 N ATOM 170 CA PHE A 24 -7.712 -6.383 -3.254 1.00 0.00 C ATOM 171 C PHE A 24 -6.895 -6.756 -4.493 1.00 0.00 C ATOM 172 O PHE A 24 -6.630 -7.913 -4.752 1.00 0.00 O ATOM 173 CB PHE A 24 -6.800 -6.359 -2.035 1.00 0.00 C ATOM 174 CG PHE A 24 -5.947 -5.137 -2.103 1.00 0.00 C ATOM 175 CD1 PHE A 24 -4.732 -5.178 -2.789 1.00 0.00 C ATOM 176 CD2 PHE A 24 -6.379 -3.956 -1.498 1.00 0.00 C ATOM 177 CE1 PHE A 24 -3.947 -4.032 -2.871 1.00 0.00 C ATOM 178 CE2 PHE A 24 -5.591 -2.812 -1.575 1.00 0.00 C ATOM 179 CZ PHE A 24 -4.378 -2.852 -2.263 1.00 0.00 C ATOM 0 H PHE A 24 -8.540 -8.093 -2.320 1.00 0.00 H new ATOM 0 HA PHE A 24 -8.162 -5.404 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -7.392 -6.357 -1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -6.178 -7.254 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -4.403 -6.095 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -7.322 -3.930 -0.972 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.008 -4.056 -3.403 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -5.917 -1.896 -1.104 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.768 -1.963 -2.326 1.00 0.00 H new ATOM 180 N ASN A 25 -6.488 -5.777 -5.252 1.00 0.00 N ATOM 181 CA ASN A 25 -5.676 -6.055 -6.471 1.00 0.00 C ATOM 182 C ASN A 25 -4.377 -5.240 -6.407 1.00 0.00 C ATOM 183 O ASN A 25 -3.359 -5.652 -6.905 1.00 0.00 O ATOM 184 CB ASN A 25 -6.474 -5.662 -7.717 1.00 0.00 C ATOM 185 CG ASN A 25 -7.138 -6.909 -8.307 1.00 0.00 C ATOM 186 OD1 ASN A 25 -6.731 -8.018 -8.025 1.00 0.00 O ATOM 187 ND2 ASN A 25 -8.153 -6.774 -9.118 1.00 0.00 N ATOM 0 H ASN A 25 -6.684 -4.791 -5.080 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.437 -7.117 -6.521 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.230 -4.921 -7.460 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.816 -5.203 -8.455 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.603 -7.599 -9.514 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.496 -5.843 -9.356 1.00 0.00 H new ATOM 188 N HIS A 26 -4.428 -4.092 -5.781 1.00 0.00 N ATOM 189 CA HIS A 26 -3.231 -3.200 -5.631 1.00 0.00 C ATOM 190 C HIS A 26 -3.278 -2.115 -6.721 1.00 0.00 C ATOM 191 O HIS A 26 -2.991 -0.961 -6.466 1.00 0.00 O ATOM 192 CB HIS A 26 -1.908 -3.999 -5.664 1.00 0.00 C ATOM 193 CG HIS A 26 -1.288 -4.049 -7.040 1.00 0.00 C ATOM 194 ND1 HIS A 26 -1.174 -5.225 -7.771 1.00 0.00 N ATOM 195 CD2 HIS A 26 -0.684 -3.080 -7.801 1.00 0.00 C ATOM 196 CE1 HIS A 26 -0.529 -4.932 -8.914 1.00 0.00 C ATOM 197 NE2 HIS A 26 -0.208 -3.638 -8.983 1.00 0.00 N ATOM 0 H HIS A 26 -5.277 -3.722 -5.353 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.263 -2.721 -4.652 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -1.200 -3.549 -4.968 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.094 -5.015 -5.317 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -1.517 -6.144 -7.491 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.592 -2.040 -7.524 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -0.299 -5.655 -9.682 1.00 0.00 H new ATOM 198 N LYS A 27 -3.683 -2.462 -7.918 1.00 0.00 N ATOM 199 CA LYS A 27 -3.795 -1.432 -9.001 1.00 0.00 C ATOM 200 C LYS A 27 -5.203 -0.845 -8.989 1.00 0.00 C ATOM 201 O LYS A 27 -5.395 0.331 -9.212 1.00 0.00 O ATOM 202 CB LYS A 27 -3.521 -2.063 -10.368 1.00 0.00 C ATOM 203 CG LYS A 27 -2.036 -1.928 -10.703 1.00 0.00 C ATOM 204 CD LYS A 27 -1.645 -2.987 -11.735 1.00 0.00 C ATOM 205 CE LYS A 27 -2.077 -2.524 -13.127 1.00 0.00 C ATOM 206 NZ LYS A 27 -1.030 -1.634 -13.703 1.00 0.00 N ATOM 0 H LYS A 27 -3.940 -3.410 -8.193 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.060 -0.647 -8.822 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.809 -3.114 -10.359 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.123 -1.574 -11.134 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -1.830 -0.931 -11.094 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -1.437 -2.047 -9.800 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.568 -3.152 -11.713 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.118 -3.939 -11.493 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.234 -3.386 -13.776 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -3.027 -1.993 -13.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -1.324 -1.319 -14.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.901 -0.806 -13.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.133 -2.155 -13.775 1.00 0.00 H new ATOM 207 N LYS A 28 -6.191 -1.652 -8.723 1.00 0.00 N ATOM 208 CA LYS A 28 -7.585 -1.132 -8.687 1.00 0.00 C ATOM 209 C LYS A 28 -7.798 -0.386 -7.372 1.00 0.00 C ATOM 210 O LYS A 28 -8.489 0.612 -7.312 1.00 0.00 O ATOM 211 CB LYS A 28 -8.570 -2.298 -8.777 1.00 0.00 C ATOM 212 CG LYS A 28 -9.541 -2.061 -9.934 1.00 0.00 C ATOM 213 CD LYS A 28 -9.571 -3.297 -10.833 1.00 0.00 C ATOM 214 CE LYS A 28 -8.241 -3.418 -11.577 1.00 0.00 C ATOM 215 NZ LYS A 28 -8.488 -3.914 -12.960 1.00 0.00 N ATOM 0 H LYS A 28 -6.093 -2.649 -8.529 1.00 0.00 H new ATOM 0 HA LYS A 28 -7.750 -0.458 -9.528 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -8.030 -3.233 -8.928 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -9.120 -2.395 -7.841 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -10.539 -1.854 -9.549 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -9.233 -1.187 -10.508 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -9.748 -4.191 -10.235 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -10.393 -3.222 -11.545 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -7.742 -2.450 -11.610 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.577 -4.101 -11.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.583 -3.996 -13.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.947 -4.846 -12.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.106 -3.246 -13.463 1.00 0.00 H new ATOM 216 N PHE A 29 -7.200 -0.865 -6.316 1.00 0.00 N ATOM 217 CA PHE A 29 -7.352 -0.192 -4.997 1.00 0.00 C ATOM 218 C PHE A 29 -6.673 1.177 -5.048 1.00 0.00 C ATOM 219 O PHE A 29 -7.300 2.200 -4.852 1.00 0.00 O ATOM 220 CB PHE A 29 -6.690 -1.045 -3.914 1.00 0.00 C ATOM 221 CG PHE A 29 -6.799 -0.340 -2.583 1.00 0.00 C ATOM 222 CD1 PHE A 29 -7.979 -0.434 -1.833 1.00 0.00 C ATOM 223 CD2 PHE A 29 -5.718 0.405 -2.096 1.00 0.00 C ATOM 224 CE1 PHE A 29 -8.077 0.218 -0.598 1.00 0.00 C ATOM 225 CE2 PHE A 29 -5.817 1.057 -0.861 1.00 0.00 C ATOM 226 CZ PHE A 29 -6.996 0.963 -0.112 1.00 0.00 C ATOM 0 H PHE A 29 -6.610 -1.697 -6.311 1.00 0.00 H new ATOM 0 HA PHE A 29 -8.411 -0.068 -4.769 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.171 -2.022 -3.861 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.643 -1.218 -4.162 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.813 -1.009 -2.208 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.808 0.477 -2.673 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -8.987 0.146 -0.020 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.984 1.633 -0.486 1.00 0.00 H new ATOM 0 HZ PHE A 29 -7.072 1.465 0.841 1.00 0.00 H new ATOM 227 N PHE A 30 -5.394 1.202 -5.308 1.00 0.00 N ATOM 228 CA PHE A 30 -4.670 2.501 -5.371 1.00 0.00 C ATOM 229 C PHE A 30 -5.177 3.313 -6.564 1.00 0.00 C ATOM 230 O PHE A 30 -5.212 4.523 -6.532 1.00 0.00 O ATOM 231 CB PHE A 30 -3.173 2.234 -5.526 1.00 0.00 C ATOM 232 CG PHE A 30 -2.599 1.855 -4.183 1.00 0.00 C ATOM 233 CD1 PHE A 30 -2.707 0.537 -3.723 1.00 0.00 C ATOM 234 CD2 PHE A 30 -1.968 2.822 -3.393 1.00 0.00 C ATOM 235 CE1 PHE A 30 -2.183 0.186 -2.474 1.00 0.00 C ATOM 236 CE2 PHE A 30 -1.446 2.471 -2.142 1.00 0.00 C ATOM 237 CZ PHE A 30 -1.554 1.153 -1.683 1.00 0.00 C ATOM 0 H PHE A 30 -4.819 0.377 -5.480 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.846 3.065 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.006 1.433 -6.246 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -2.671 3.120 -5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.195 -0.209 -4.333 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.884 3.839 -3.748 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.264 -0.831 -2.121 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.960 3.217 -1.531 1.00 0.00 H new ATOM 0 HZ PHE A 30 -1.152 0.883 -0.718 1.00 0.00 H new ATOM 238 N ALA A 31 -5.573 2.658 -7.615 1.00 0.00 N ATOM 239 CA ALA A 31 -6.080 3.403 -8.801 1.00 0.00 C ATOM 240 C ALA A 31 -7.108 4.440 -8.343 1.00 0.00 C ATOM 241 O ALA A 31 -7.037 5.600 -8.700 1.00 0.00 O ATOM 242 CB ALA A 31 -6.746 2.427 -9.771 1.00 0.00 C ATOM 0 H ALA A 31 -5.569 1.642 -7.707 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.249 3.902 -9.300 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -7.117 2.973 -10.639 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -6.019 1.682 -10.094 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.578 1.929 -9.273 1.00 0.00 H new ATOM 243 N LEU A 32 -8.068 4.029 -7.559 1.00 0.00 N ATOM 244 CA LEU A 32 -9.108 4.985 -7.082 1.00 0.00 C ATOM 245 C LEU A 32 -8.523 5.907 -6.004 1.00 0.00 C ATOM 246 O LEU A 32 -8.735 7.103 -6.020 1.00 0.00 O ATOM 247 CB LEU A 32 -10.285 4.201 -6.497 1.00 0.00 C ATOM 248 CG LEU A 32 -11.056 3.514 -7.626 1.00 0.00 C ATOM 249 CD1 LEU A 32 -11.101 2.006 -7.372 1.00 0.00 C ATOM 250 CD2 LEU A 32 -12.484 4.060 -7.673 1.00 0.00 C ATOM 0 H LEU A 32 -8.177 3.070 -7.228 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.448 5.591 -7.921 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.923 3.458 -5.786 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -10.945 4.872 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.557 3.709 -8.575 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.650 1.518 -8.177 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.085 1.613 -7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.600 1.812 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -13.034 3.571 -8.477 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.980 3.864 -6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.457 5.135 -7.853 1.00 0.00 H new ATOM 251 N VAL A 33 -7.803 5.362 -5.060 1.00 0.00 N ATOM 252 CA VAL A 33 -7.221 6.206 -3.976 1.00 0.00 C ATOM 253 C VAL A 33 -6.608 7.485 -4.572 1.00 0.00 C ATOM 254 O VAL A 33 -6.867 8.580 -4.117 1.00 0.00 O ATOM 255 CB VAL A 33 -6.158 5.389 -3.214 1.00 0.00 C ATOM 256 CG1 VAL A 33 -4.743 5.709 -3.718 1.00 0.00 C ATOM 257 CG2 VAL A 33 -6.245 5.719 -1.723 1.00 0.00 C ATOM 0 H VAL A 33 -7.592 4.366 -4.993 1.00 0.00 H new ATOM 0 HA VAL A 33 -8.005 6.503 -3.279 1.00 0.00 H new ATOM 0 HB VAL A 33 -6.352 4.330 -3.383 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -4.016 5.117 -3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.671 5.468 -4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.536 6.769 -3.572 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.496 5.144 -1.179 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.064 6.784 -1.575 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -7.238 5.465 -1.351 1.00 0.00 H new ATOM 258 N GLY A 34 -5.796 7.352 -5.582 1.00 0.00 N ATOM 259 CA GLY A 34 -5.168 8.553 -6.198 1.00 0.00 C ATOM 260 C GLY A 34 -3.701 8.652 -5.767 1.00 0.00 C ATOM 261 O GLY A 34 -3.136 9.728 -5.715 1.00 0.00 O ATOM 0 H GLY A 34 -5.539 6.462 -6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.234 8.492 -7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.706 9.451 -5.896 1.00 0.00 H new ATOM 262 N LEU A 35 -3.071 7.547 -5.456 1.00 0.00 N ATOM 263 CA LEU A 35 -1.653 7.605 -5.035 1.00 0.00 C ATOM 264 C LEU A 35 -0.757 7.181 -6.201 1.00 0.00 C ATOM 265 O LEU A 35 0.384 6.808 -6.018 1.00 0.00 O ATOM 266 CB LEU A 35 -1.437 6.667 -3.838 1.00 0.00 C ATOM 267 CG LEU A 35 0.047 6.630 -3.446 1.00 0.00 C ATOM 268 CD1 LEU A 35 0.657 8.030 -3.571 1.00 0.00 C ATOM 269 CD2 LEU A 35 0.172 6.156 -1.997 1.00 0.00 C ATOM 0 H LEU A 35 -3.482 6.614 -5.478 1.00 0.00 H new ATOM 0 HA LEU A 35 -1.398 8.623 -4.742 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.035 7.004 -2.991 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.778 5.663 -4.089 1.00 0.00 H new ATOM 0 HG LEU A 35 0.577 5.947 -4.110 1.00 0.00 H new ATOM 0 HD11 LEU A 35 1.710 7.994 -3.291 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.567 8.376 -4.601 1.00 0.00 H new ATOM 0 HD13 LEU A 35 0.129 8.717 -2.910 1.00 0.00 H new ATOM 0 HD21 LEU A 35 1.224 6.128 -1.713 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.362 6.844 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.256 5.158 -1.902 1.00 0.00 H new ATOM 270 N LYS A 36 -1.274 7.222 -7.400 1.00 0.00 N ATOM 271 CA LYS A 36 -0.466 6.806 -8.583 1.00 0.00 C ATOM 272 C LYS A 36 0.415 7.961 -9.089 1.00 0.00 C ATOM 273 O LYS A 36 1.368 7.742 -9.809 1.00 0.00 O ATOM 274 CB LYS A 36 -1.418 6.370 -9.699 1.00 0.00 C ATOM 275 CG LYS A 36 -0.617 5.989 -10.945 1.00 0.00 C ATOM 276 CD LYS A 36 -1.065 6.860 -12.121 1.00 0.00 C ATOM 277 CE LYS A 36 -0.733 8.324 -11.831 1.00 0.00 C ATOM 278 NZ LYS A 36 -1.146 9.165 -12.990 1.00 0.00 N ATOM 0 H LYS A 36 -2.224 7.527 -7.612 1.00 0.00 H new ATOM 0 HA LYS A 36 0.187 5.984 -8.290 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.017 5.522 -9.367 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.111 7.178 -9.934 1.00 0.00 H new ATOM 0 HG2 LYS A 36 0.449 6.126 -10.762 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.768 4.935 -11.180 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.567 6.538 -13.036 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.137 6.745 -12.284 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.247 8.653 -10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.336 8.437 -11.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.403 9.864 -13.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -1.291 8.560 -13.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -2.032 9.659 -12.762 1.00 0.00 H new ATOM 279 N ALA A 37 0.114 9.186 -8.742 1.00 0.00 N ATOM 280 CA ALA A 37 0.953 10.313 -9.244 1.00 0.00 C ATOM 281 C ALA A 37 1.306 11.271 -8.103 1.00 0.00 C ATOM 282 O ALA A 37 1.506 12.450 -8.317 1.00 0.00 O ATOM 283 CB ALA A 37 0.181 11.076 -10.323 1.00 0.00 C ATOM 0 H ALA A 37 -0.666 9.452 -8.141 1.00 0.00 H new ATOM 0 HA ALA A 37 1.875 9.906 -9.659 1.00 0.00 H new ATOM 0 HB1 ALA A 37 0.791 11.900 -10.692 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.055 10.402 -11.146 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -0.743 11.470 -9.900 1.00 0.00 H new ATOM 284 N MET A 38 1.396 10.785 -6.896 1.00 0.00 N ATOM 285 CA MET A 38 1.750 11.690 -5.769 1.00 0.00 C ATOM 286 C MET A 38 3.175 12.211 -5.977 1.00 0.00 C ATOM 287 O MET A 38 3.964 11.613 -6.681 1.00 0.00 O ATOM 288 CB MET A 38 1.668 10.923 -4.449 1.00 0.00 C ATOM 289 CG MET A 38 0.359 11.273 -3.740 1.00 0.00 C ATOM 290 SD MET A 38 0.723 11.965 -2.108 1.00 0.00 S ATOM 291 CE MET A 38 -0.012 13.595 -2.389 1.00 0.00 C ATOM 0 H MET A 38 1.241 9.809 -6.643 1.00 0.00 H new ATOM 0 HA MET A 38 1.054 12.528 -5.737 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.718 9.850 -4.635 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.517 11.177 -3.815 1.00 0.00 H new ATOM 0 HG2 MET A 38 -0.208 11.991 -4.333 1.00 0.00 H new ATOM 0 HG3 MET A 38 -0.262 10.383 -3.639 1.00 0.00 H new ATOM 0 HE1 MET A 38 0.100 14.204 -1.492 1.00 0.00 H new ATOM 0 HE2 MET A 38 0.492 14.082 -3.224 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.071 13.482 -2.621 1.00 0.00 H new ATOM 292 N SER A 39 3.511 13.322 -5.380 1.00 0.00 N ATOM 293 CA SER A 39 4.885 13.873 -5.557 1.00 0.00 C ATOM 294 C SER A 39 5.905 12.910 -4.946 1.00 0.00 C ATOM 295 O SER A 39 5.885 12.646 -3.761 1.00 0.00 O ATOM 296 CB SER A 39 4.988 15.234 -4.866 1.00 0.00 C ATOM 297 OG SER A 39 4.118 15.259 -3.741 1.00 0.00 O ATOM 0 H SER A 39 2.896 13.871 -4.779 1.00 0.00 H new ATOM 0 HA SER A 39 5.091 13.993 -6.621 1.00 0.00 H new ATOM 0 HB2 SER A 39 6.015 15.417 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.723 16.029 -5.563 1.00 0.00 H new ATOM 0 HG SER A 39 4.184 16.130 -3.296 1.00 0.00 H new ATOM 298 N ALA A 40 6.785 12.376 -5.753 1.00 0.00 N ATOM 299 CA ALA A 40 7.810 11.414 -5.237 1.00 0.00 C ATOM 300 C ALA A 40 8.287 11.808 -3.829 1.00 0.00 C ATOM 301 O ALA A 40 8.686 10.966 -3.051 1.00 0.00 O ATOM 302 CB ALA A 40 9.008 11.396 -6.187 1.00 0.00 C ATOM 0 H ALA A 40 6.839 12.565 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 40 7.354 10.426 -5.181 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.757 10.697 -5.815 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.681 11.084 -7.179 1.00 0.00 H new ATOM 0 HB3 ALA A 40 9.441 12.395 -6.245 1.00 0.00 H new ATOM 303 N ASN A 41 8.256 13.070 -3.491 1.00 0.00 N ATOM 304 CA ASN A 41 8.712 13.488 -2.134 1.00 0.00 C ATOM 305 C ASN A 41 7.657 13.091 -1.102 1.00 0.00 C ATOM 306 O ASN A 41 7.926 12.341 -0.184 1.00 0.00 O ATOM 307 CB ASN A 41 8.910 15.005 -2.107 1.00 0.00 C ATOM 308 CG ASN A 41 9.141 15.465 -0.667 1.00 0.00 C ATOM 309 OD1 ASN A 41 10.257 15.455 -0.185 1.00 0.00 O ATOM 310 ND2 ASN A 41 8.127 15.871 0.046 1.00 0.00 N ATOM 0 H ASN A 41 7.935 13.827 -4.094 1.00 0.00 H new ATOM 0 HA ASN A 41 9.656 12.996 -1.898 1.00 0.00 H new ATOM 0 HB2 ASN A 41 9.761 15.282 -2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 41 8.035 15.504 -2.523 1.00 0.00 H new ATOM 0 HD21 ASN A 41 8.271 16.180 1.007 1.00 0.00 H new ATOM 0 HD22 ASN A 41 7.190 15.880 -0.358 1.00 0.00 H new ATOM 311 N ASP A 42 6.453 13.575 -1.248 1.00 0.00 N ATOM 312 CA ASP A 42 5.385 13.210 -0.277 1.00 0.00 C ATOM 313 C ASP A 42 5.022 11.737 -0.458 1.00 0.00 C ATOM 314 O ASP A 42 4.254 11.178 0.300 1.00 0.00 O ATOM 315 CB ASP A 42 4.146 14.076 -0.516 1.00 0.00 C ATOM 316 CG ASP A 42 4.235 15.343 0.337 1.00 0.00 C ATOM 317 OD1 ASP A 42 5.339 15.715 0.698 1.00 0.00 O ATOM 318 OD2 ASP A 42 3.196 15.918 0.618 1.00 0.00 O ATOM 0 H ASP A 42 6.165 14.206 -1.996 1.00 0.00 H new ATOM 0 HA ASP A 42 5.746 13.378 0.738 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.072 14.340 -1.571 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.245 13.517 -0.263 1.00 0.00 H new ATOM 319 N VAL A 43 5.590 11.094 -1.441 1.00 0.00 N ATOM 320 CA VAL A 43 5.304 9.661 -1.648 1.00 0.00 C ATOM 321 C VAL A 43 6.314 8.887 -0.823 1.00 0.00 C ATOM 322 O VAL A 43 5.980 7.943 -0.149 1.00 0.00 O ATOM 323 CB VAL A 43 5.480 9.307 -3.113 1.00 0.00 C ATOM 324 CG1 VAL A 43 4.958 7.892 -3.367 1.00 0.00 C ATOM 325 CG2 VAL A 43 4.707 10.301 -3.983 1.00 0.00 C ATOM 0 H VAL A 43 6.241 11.508 -2.108 1.00 0.00 H new ATOM 0 HA VAL A 43 4.282 9.423 -1.353 1.00 0.00 H new ATOM 0 HB VAL A 43 6.539 9.354 -3.367 1.00 0.00 H new ATOM 0 HG11 VAL A 43 5.086 7.641 -4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 43 5.515 7.183 -2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.900 7.842 -3.108 1.00 0.00 H new ATOM 0 HG21 VAL A 43 4.837 10.042 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 43 3.648 10.261 -3.728 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.085 11.308 -3.808 1.00 0.00 H new ATOM 326 N LYS A 44 7.556 9.300 -0.851 1.00 0.00 N ATOM 327 CA LYS A 44 8.568 8.611 -0.045 1.00 0.00 C ATOM 328 C LYS A 44 8.142 8.750 1.408 1.00 0.00 C ATOM 329 O LYS A 44 8.472 7.943 2.251 1.00 0.00 O ATOM 330 CB LYS A 44 9.939 9.260 -0.251 1.00 0.00 C ATOM 331 CG LYS A 44 10.388 9.077 -1.703 1.00 0.00 C ATOM 332 CD LYS A 44 11.412 10.157 -2.060 1.00 0.00 C ATOM 333 CE LYS A 44 12.749 9.502 -2.412 1.00 0.00 C ATOM 334 NZ LYS A 44 13.834 10.113 -1.592 1.00 0.00 N ATOM 0 H LYS A 44 7.898 10.087 -1.403 1.00 0.00 H new ATOM 0 HA LYS A 44 8.648 7.563 -0.333 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.889 10.321 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.668 8.812 0.424 1.00 0.00 H new ATOM 0 HG2 LYS A 44 10.825 8.088 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 44 9.529 9.140 -2.371 1.00 0.00 H new ATOM 0 HD2 LYS A 44 11.053 10.749 -2.902 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.541 10.841 -1.222 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.700 8.429 -2.228 1.00 0.00 H new ATOM 0 HE3 LYS A 44 12.962 9.634 -3.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.743 9.668 -1.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 13.886 11.133 -1.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 13.631 9.965 -0.583 1.00 0.00 H new ATOM 335 N LYS A 45 7.381 9.774 1.695 1.00 0.00 N ATOM 336 CA LYS A 45 6.891 9.973 3.079 1.00 0.00 C ATOM 337 C LYS A 45 5.727 9.010 3.307 1.00 0.00 C ATOM 338 O LYS A 45 5.516 8.521 4.401 1.00 0.00 O ATOM 339 CB LYS A 45 6.413 11.416 3.255 1.00 0.00 C ATOM 340 CG LYS A 45 7.601 12.309 3.617 1.00 0.00 C ATOM 341 CD LYS A 45 7.909 12.167 5.109 1.00 0.00 C ATOM 342 CE LYS A 45 9.393 12.452 5.355 1.00 0.00 C ATOM 343 NZ LYS A 45 9.532 13.668 6.206 1.00 0.00 N ATOM 0 H LYS A 45 7.080 10.480 1.023 1.00 0.00 H new ATOM 0 HA LYS A 45 7.688 9.782 3.797 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.946 11.770 2.336 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.656 11.466 4.037 1.00 0.00 H new ATOM 0 HG2 LYS A 45 8.473 12.029 3.026 1.00 0.00 H new ATOM 0 HG3 LYS A 45 7.375 13.348 3.379 1.00 0.00 H new ATOM 0 HD2 LYS A 45 7.295 12.859 5.685 1.00 0.00 H new ATOM 0 HD3 LYS A 45 7.660 11.161 5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.862 11.598 5.843 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.908 12.599 4.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 10.540 13.861 6.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.099 14.481 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.054 13.511 7.116 1.00 0.00 H new ATOM 344 N VAL A 46 4.977 8.708 2.272 1.00 0.00 N ATOM 345 CA VAL A 46 3.845 7.750 2.450 1.00 0.00 C ATOM 346 C VAL A 46 4.436 6.382 2.754 1.00 0.00 C ATOM 347 O VAL A 46 4.042 5.698 3.678 1.00 0.00 O ATOM 348 CB VAL A 46 3.019 7.669 1.164 1.00 0.00 C ATOM 349 CG1 VAL A 46 2.084 6.457 1.226 1.00 0.00 C ATOM 350 CG2 VAL A 46 2.190 8.944 1.008 1.00 0.00 C ATOM 0 H VAL A 46 5.098 9.077 1.329 1.00 0.00 H new ATOM 0 HA VAL A 46 3.197 8.082 3.261 1.00 0.00 H new ATOM 0 HB VAL A 46 3.690 7.564 0.311 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.498 6.403 0.309 1.00 0.00 H new ATOM 0 HG12 VAL A 46 2.674 5.547 1.334 1.00 0.00 H new ATOM 0 HG13 VAL A 46 1.414 6.558 2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.602 8.886 0.092 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.521 9.050 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.855 9.806 0.958 1.00 0.00 H new ATOM 351 N PHE A 47 5.400 6.003 1.978 1.00 0.00 N ATOM 352 CA PHE A 47 6.078 4.709 2.176 1.00 0.00 C ATOM 353 C PHE A 47 6.664 4.678 3.565 1.00 0.00 C ATOM 354 O PHE A 47 6.433 3.765 4.308 1.00 0.00 O ATOM 355 CB PHE A 47 7.183 4.621 1.152 1.00 0.00 C ATOM 356 CG PHE A 47 8.092 3.453 1.421 1.00 0.00 C ATOM 357 CD1 PHE A 47 8.936 3.432 2.542 1.00 0.00 C ATOM 358 CD2 PHE A 47 8.123 2.405 0.508 1.00 0.00 C ATOM 359 CE1 PHE A 47 9.803 2.352 2.738 1.00 0.00 C ATOM 360 CE2 PHE A 47 8.994 1.335 0.695 1.00 0.00 C ATOM 361 CZ PHE A 47 9.833 1.305 1.810 1.00 0.00 C ATOM 0 H PHE A 47 5.754 6.552 1.195 1.00 0.00 H new ATOM 0 HA PHE A 47 5.387 3.874 2.063 1.00 0.00 H new ATOM 0 HB2 PHE A 47 6.751 4.525 0.156 1.00 0.00 H new ATOM 0 HB3 PHE A 47 7.763 5.544 1.160 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.916 4.247 3.251 1.00 0.00 H new ATOM 0 HD2 PHE A 47 7.468 2.421 -0.351 1.00 0.00 H new ATOM 0 HE1 PHE A 47 10.448 2.326 3.604 1.00 0.00 H new ATOM 0 HE2 PHE A 47 9.020 0.528 -0.023 1.00 0.00 H new ATOM 0 HZ PHE A 47 10.506 0.473 1.957 1.00 0.00 H new ATOM 362 N LYS A 48 7.423 5.674 3.923 1.00 0.00 N ATOM 363 CA LYS A 48 8.012 5.692 5.296 1.00 0.00 C ATOM 364 C LYS A 48 6.921 5.272 6.279 1.00 0.00 C ATOM 365 O LYS A 48 7.180 4.635 7.281 1.00 0.00 O ATOM 366 CB LYS A 48 8.508 7.099 5.635 1.00 0.00 C ATOM 367 CG LYS A 48 9.982 7.032 6.038 1.00 0.00 C ATOM 368 CD LYS A 48 10.795 6.415 4.898 1.00 0.00 C ATOM 369 CE LYS A 48 11.483 5.141 5.393 1.00 0.00 C ATOM 370 NZ LYS A 48 12.946 5.234 5.129 1.00 0.00 N ATOM 0 H LYS A 48 7.661 6.471 3.333 1.00 0.00 H new ATOM 0 HA LYS A 48 8.859 5.009 5.354 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.384 7.758 4.776 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.916 7.520 6.448 1.00 0.00 H new ATOM 0 HG2 LYS A 48 10.354 8.031 6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 48 10.096 6.436 6.944 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.143 6.185 4.055 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.539 7.127 4.541 1.00 0.00 H new ATOM 0 HE2 LYS A 48 11.303 5.008 6.460 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.066 4.270 4.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.417 4.376 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 13.109 5.324 4.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 13.334 6.067 5.616 1.00 0.00 H new ATOM 371 N ALA A 49 5.691 5.591 5.970 1.00 0.00 N ATOM 372 CA ALA A 49 4.571 5.175 6.854 1.00 0.00 C ATOM 373 C ALA A 49 4.334 3.681 6.636 1.00 0.00 C ATOM 374 O ALA A 49 4.212 2.917 7.572 1.00 0.00 O ATOM 375 CB ALA A 49 3.307 5.961 6.499 1.00 0.00 C ATOM 0 H ALA A 49 5.417 6.122 5.143 1.00 0.00 H new ATOM 0 HA ALA A 49 4.816 5.373 7.898 1.00 0.00 H new ATOM 0 HB1 ALA A 49 2.490 5.651 7.151 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.492 7.027 6.632 1.00 0.00 H new ATOM 0 HB3 ALA A 49 3.037 5.766 5.461 1.00 0.00 H new ATOM 376 N ILE A 50 4.310 3.253 5.401 1.00 0.00 N ATOM 377 CA ILE A 50 4.131 1.808 5.118 1.00 0.00 C ATOM 378 C ILE A 50 5.190 1.043 5.899 1.00 0.00 C ATOM 379 O ILE A 50 4.998 -0.078 6.315 1.00 0.00 O ATOM 380 CB ILE A 50 4.406 1.581 3.644 1.00 0.00 C ATOM 381 CG1 ILE A 50 3.571 2.538 2.785 1.00 0.00 C ATOM 382 CG2 ILE A 50 4.076 0.150 3.265 1.00 0.00 C ATOM 383 CD1 ILE A 50 2.085 2.322 3.079 1.00 0.00 C ATOM 0 H ILE A 50 4.407 3.847 4.578 1.00 0.00 H new ATOM 0 HA ILE A 50 3.126 1.484 5.388 1.00 0.00 H new ATOM 0 HB ILE A 50 5.464 1.771 3.463 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.848 3.570 2.997 1.00 0.00 H new ATOM 0 HG13 ILE A 50 3.773 2.365 1.728 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.277 -0.001 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.690 -0.533 3.852 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.023 -0.046 3.466 1.00 0.00 H new ATOM 0 HD11 ILE A 50 1.491 3.002 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.814 1.293 2.844 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.891 2.517 4.134 1.00 0.00 H new ATOM 384 N ASP A 51 6.320 1.673 6.061 1.00 0.00 N ATOM 385 CA ASP A 51 7.468 1.069 6.772 1.00 0.00 C ATOM 386 C ASP A 51 7.075 0.769 8.207 1.00 0.00 C ATOM 387 O ASP A 51 7.326 1.533 9.116 1.00 0.00 O ATOM 388 CB ASP A 51 8.639 2.054 6.735 1.00 0.00 C ATOM 389 CG ASP A 51 9.955 1.282 6.756 1.00 0.00 C ATOM 390 OD1 ASP A 51 9.915 0.074 6.591 1.00 0.00 O ATOM 391 OD2 ASP A 51 10.980 1.913 6.932 1.00 0.00 O ATOM 0 H ASP A 51 6.495 2.616 5.715 1.00 0.00 H new ATOM 0 HA ASP A 51 7.763 0.136 6.291 1.00 0.00 H new ATOM 0 HB2 ASP A 51 8.581 2.670 5.838 1.00 0.00 H new ATOM 0 HB3 ASP A 51 8.587 2.729 7.589 1.00 0.00 H new ATOM 392 N ALA A 52 6.446 -0.343 8.401 1.00 0.00 N ATOM 393 CA ALA A 52 6.006 -0.733 9.772 1.00 0.00 C ATOM 394 C ALA A 52 7.126 -0.475 10.791 1.00 0.00 C ATOM 395 O ALA A 52 7.018 0.396 11.631 1.00 0.00 O ATOM 396 CB ALA A 52 5.644 -2.219 9.787 1.00 0.00 C ATOM 0 H ALA A 52 6.211 -1.011 7.667 1.00 0.00 H new ATOM 0 HA ALA A 52 5.136 -0.134 10.043 1.00 0.00 H new ATOM 0 HB1 ALA A 52 5.322 -2.505 10.788 1.00 0.00 H new ATOM 0 HB2 ALA A 52 4.836 -2.404 9.080 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.516 -2.809 9.504 1.00 0.00 H new ATOM 397 N ASP A 53 8.189 -1.241 10.746 1.00 0.00 N ATOM 398 CA ASP A 53 9.293 -1.049 11.741 1.00 0.00 C ATOM 399 C ASP A 53 10.330 -0.038 11.231 1.00 0.00 C ATOM 400 O ASP A 53 11.460 -0.021 11.679 1.00 0.00 O ATOM 401 CB ASP A 53 9.984 -2.390 11.995 1.00 0.00 C ATOM 402 CG ASP A 53 10.234 -3.095 10.661 1.00 0.00 C ATOM 403 OD1 ASP A 53 10.794 -2.466 9.777 1.00 0.00 O ATOM 404 OD2 ASP A 53 9.862 -4.251 10.545 1.00 0.00 O ATOM 0 H ASP A 53 8.341 -1.987 10.068 1.00 0.00 H new ATOM 0 HA ASP A 53 8.859 -0.664 12.664 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.927 -2.232 12.517 1.00 0.00 H new ATOM 0 HB3 ASP A 53 9.364 -3.015 12.638 1.00 0.00 H new ATOM 405 N ALA A 54 9.957 0.812 10.318 1.00 0.00 N ATOM 406 CA ALA A 54 10.918 1.829 9.797 1.00 0.00 C ATOM 407 C ALA A 54 12.253 1.172 9.417 1.00 0.00 C ATOM 408 O ALA A 54 13.292 1.522 9.940 1.00 0.00 O ATOM 409 CB ALA A 54 11.167 2.891 10.872 1.00 0.00 C ATOM 0 H ALA A 54 9.024 0.849 9.907 1.00 0.00 H new ATOM 0 HA ALA A 54 10.488 2.289 8.907 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.868 3.634 10.493 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.226 3.377 11.128 1.00 0.00 H new ATOM 0 HB3 ALA A 54 11.584 2.418 11.761 1.00 0.00 H new ATOM 410 N SER A 55 12.241 0.241 8.500 1.00 0.00 N ATOM 411 CA SER A 55 13.519 -0.407 8.082 1.00 0.00 C ATOM 412 C SER A 55 13.771 -0.076 6.610 1.00 0.00 C ATOM 413 O SER A 55 14.271 -0.885 5.853 1.00 0.00 O ATOM 414 CB SER A 55 13.415 -1.924 8.255 1.00 0.00 C ATOM 415 OG SER A 55 12.849 -2.493 7.081 1.00 0.00 O ATOM 0 H SER A 55 11.405 -0.098 8.024 1.00 0.00 H new ATOM 0 HA SER A 55 14.340 -0.039 8.697 1.00 0.00 H new ATOM 0 HB2 SER A 55 14.402 -2.349 8.440 1.00 0.00 H new ATOM 0 HB3 SER A 55 12.798 -2.161 9.122 1.00 0.00 H new ATOM 0 HG SER A 55 13.495 -2.438 6.346 1.00 0.00 H new ATOM 416 N GLY A 56 13.416 1.113 6.200 1.00 0.00 N ATOM 417 CA GLY A 56 13.616 1.512 4.778 1.00 0.00 C ATOM 418 C GLY A 56 13.098 0.406 3.858 1.00 0.00 C ATOM 419 O GLY A 56 13.501 0.299 2.717 1.00 0.00 O ATOM 0 H GLY A 56 12.994 1.828 6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 56 13.090 2.445 4.574 1.00 0.00 H new ATOM 0 HA3 GLY A 56 14.673 1.693 4.586 1.00 0.00 H new ATOM 420 N PHE A 57 12.216 -0.427 4.344 1.00 0.00 N ATOM 421 CA PHE A 57 11.692 -1.528 3.491 1.00 0.00 C ATOM 422 C PHE A 57 10.275 -1.917 3.922 1.00 0.00 C ATOM 423 O PHE A 57 9.963 -1.972 5.096 1.00 0.00 O ATOM 424 CB PHE A 57 12.602 -2.743 3.635 1.00 0.00 C ATOM 425 CG PHE A 57 13.973 -2.406 3.105 1.00 0.00 C ATOM 426 CD1 PHE A 57 14.127 -2.008 1.770 1.00 0.00 C ATOM 427 CD2 PHE A 57 15.091 -2.493 3.942 1.00 0.00 C ATOM 428 CE1 PHE A 57 15.399 -1.698 1.275 1.00 0.00 C ATOM 429 CE2 PHE A 57 16.363 -2.183 3.446 1.00 0.00 C ATOM 430 CZ PHE A 57 16.517 -1.785 2.112 1.00 0.00 C ATOM 0 H PHE A 57 11.838 -0.391 5.291 1.00 0.00 H new ATOM 0 HA PHE A 57 11.666 -1.189 2.455 1.00 0.00 H new ATOM 0 HB2 PHE A 57 12.667 -3.040 4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 57 12.186 -3.590 3.088 1.00 0.00 H new ATOM 0 HD1 PHE A 57 13.265 -1.941 1.123 1.00 0.00 H new ATOM 0 HD2 PHE A 57 14.973 -2.799 4.971 1.00 0.00 H new ATOM 0 HE1 PHE A 57 15.518 -1.391 0.246 1.00 0.00 H new ATOM 0 HE2 PHE A 57 17.226 -2.251 4.092 1.00 0.00 H new ATOM 0 HZ PHE A 57 17.498 -1.545 1.730 1.00 0.00 H new ATOM 431 N ILE A 58 9.431 -2.233 2.979 1.00 0.00 N ATOM 432 CA ILE A 58 8.049 -2.673 3.321 1.00 0.00 C ATOM 433 C ILE A 58 8.099 -4.192 3.495 1.00 0.00 C ATOM 434 O ILE A 58 8.391 -4.916 2.564 1.00 0.00 O ATOM 435 CB ILE A 58 7.092 -2.321 2.187 1.00 0.00 C ATOM 436 CG1 ILE A 58 7.430 -0.924 1.653 1.00 0.00 C ATOM 437 CG2 ILE A 58 5.661 -2.339 2.727 1.00 0.00 C ATOM 438 CD1 ILE A 58 6.856 0.149 2.578 1.00 0.00 C ATOM 0 H ILE A 58 9.640 -2.205 1.981 1.00 0.00 H new ATOM 0 HA ILE A 58 7.698 -2.180 4.228 1.00 0.00 H new ATOM 0 HB ILE A 58 7.187 -3.044 1.377 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.511 -0.808 1.577 1.00 0.00 H new ATOM 0 HG13 ILE A 58 7.025 -0.803 0.648 1.00 0.00 H new ATOM 0 HG21 ILE A 58 4.966 -2.089 1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 58 5.429 -3.333 3.111 1.00 0.00 H new ATOM 0 HG23 ILE A 58 5.566 -1.609 3.530 1.00 0.00 H new ATOM 0 HD11 ILE A 58 7.103 1.136 2.187 1.00 0.00 H new ATOM 0 HD12 ILE A 58 5.773 0.041 2.632 1.00 0.00 H new ATOM 0 HD13 ILE A 58 7.282 0.036 3.575 1.00 0.00 H new ATOM 439 N GLU A 59 7.860 -4.687 4.674 1.00 0.00 N ATOM 440 CA GLU A 59 7.948 -6.161 4.880 1.00 0.00 C ATOM 441 C GLU A 59 6.604 -6.828 4.593 1.00 0.00 C ATOM 442 O GLU A 59 5.584 -6.181 4.467 1.00 0.00 O ATOM 443 CB GLU A 59 8.355 -6.452 6.325 1.00 0.00 C ATOM 444 CG GLU A 59 9.524 -5.546 6.717 1.00 0.00 C ATOM 445 CD GLU A 59 10.706 -6.406 7.169 1.00 0.00 C ATOM 446 OE1 GLU A 59 10.579 -7.063 8.188 1.00 0.00 O ATOM 447 OE2 GLU A 59 11.718 -6.391 6.487 1.00 0.00 O ATOM 0 H GLU A 59 7.609 -4.143 5.499 1.00 0.00 H new ATOM 0 HA GLU A 59 8.694 -6.562 4.194 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.510 -6.284 6.993 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.641 -7.499 6.430 1.00 0.00 H new ATOM 0 HG2 GLU A 59 9.816 -4.924 5.871 1.00 0.00 H new ATOM 0 HG3 GLU A 59 9.223 -4.872 7.519 1.00 0.00 H new ATOM 448 N GLU A 60 6.609 -8.129 4.486 1.00 0.00 N ATOM 449 CA GLU A 60 5.346 -8.870 4.208 1.00 0.00 C ATOM 450 C GLU A 60 4.286 -8.483 5.244 1.00 0.00 C ATOM 451 O GLU A 60 3.114 -8.383 4.940 1.00 0.00 O ATOM 452 CB GLU A 60 5.611 -10.375 4.298 1.00 0.00 C ATOM 453 CG GLU A 60 6.957 -10.698 3.648 1.00 0.00 C ATOM 454 CD GLU A 60 6.987 -12.171 3.237 1.00 0.00 C ATOM 455 OE1 GLU A 60 6.733 -13.008 4.087 1.00 0.00 O ATOM 456 OE2 GLU A 60 7.264 -12.436 2.078 1.00 0.00 O ATOM 0 H GLU A 60 7.439 -8.714 4.580 1.00 0.00 H new ATOM 0 HA GLU A 60 4.990 -8.617 3.209 1.00 0.00 H new ATOM 0 HB2 GLU A 60 5.614 -10.692 5.341 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.813 -10.926 3.799 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.113 -10.063 2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.769 -10.488 4.344 1.00 0.00 H new ATOM 457 N GLU A 61 4.689 -8.271 6.470 1.00 0.00 N ATOM 458 CA GLU A 61 3.705 -7.898 7.528 1.00 0.00 C ATOM 459 C GLU A 61 3.045 -6.563 7.173 1.00 0.00 C ATOM 460 O GLU A 61 1.880 -6.347 7.445 1.00 0.00 O ATOM 461 CB GLU A 61 4.423 -7.775 8.874 1.00 0.00 C ATOM 462 CG GLU A 61 3.881 -8.834 9.837 1.00 0.00 C ATOM 463 CD GLU A 61 4.770 -10.078 9.782 1.00 0.00 C ATOM 464 OE1 GLU A 61 5.289 -10.365 8.716 1.00 0.00 O ATOM 465 OE2 GLU A 61 4.915 -10.724 10.807 1.00 0.00 O ATOM 0 H GLU A 61 5.657 -8.340 6.784 1.00 0.00 H new ATOM 0 HA GLU A 61 2.938 -8.670 7.596 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.497 -7.905 8.739 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.273 -6.779 9.289 1.00 0.00 H new ATOM 0 HG2 GLU A 61 3.854 -8.438 10.852 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.857 -9.094 9.569 1.00 0.00 H new ATOM 466 N GLU A 62 3.767 -5.674 6.549 1.00 0.00 N ATOM 467 CA GLU A 62 3.161 -4.370 6.162 1.00 0.00 C ATOM 468 C GLU A 62 2.107 -4.658 5.105 1.00 0.00 C ATOM 469 O GLU A 62 1.011 -4.134 5.126 1.00 0.00 O ATOM 470 CB GLU A 62 4.239 -3.451 5.578 1.00 0.00 C ATOM 471 CG GLU A 62 5.054 -2.828 6.711 1.00 0.00 C ATOM 472 CD GLU A 62 5.657 -3.937 7.576 1.00 0.00 C ATOM 473 OE1 GLU A 62 4.947 -4.451 8.424 1.00 0.00 O ATOM 474 OE2 GLU A 62 6.819 -4.251 7.376 1.00 0.00 O ATOM 0 H GLU A 62 4.747 -5.793 6.291 1.00 0.00 H new ATOM 0 HA GLU A 62 2.719 -3.877 7.028 1.00 0.00 H new ATOM 0 HB2 GLU A 62 4.893 -4.017 4.915 1.00 0.00 H new ATOM 0 HB3 GLU A 62 3.777 -2.668 4.977 1.00 0.00 H new ATOM 0 HG2 GLU A 62 5.846 -2.201 6.301 1.00 0.00 H new ATOM 0 HG3 GLU A 62 4.419 -2.183 7.318 1.00 0.00 H new ATOM 475 N LEU A 63 2.442 -5.517 4.192 1.00 0.00 N ATOM 476 CA LEU A 63 1.492 -5.901 3.122 1.00 0.00 C ATOM 477 C LEU A 63 0.194 -6.392 3.768 1.00 0.00 C ATOM 478 O LEU A 63 -0.892 -6.106 3.303 1.00 0.00 O ATOM 479 CB LEU A 63 2.120 -7.027 2.304 1.00 0.00 C ATOM 480 CG LEU A 63 3.229 -6.459 1.417 1.00 0.00 C ATOM 481 CD1 LEU A 63 4.076 -7.605 0.862 1.00 0.00 C ATOM 482 CD2 LEU A 63 2.606 -5.677 0.258 1.00 0.00 C ATOM 0 H LEU A 63 3.351 -5.977 4.142 1.00 0.00 H new ATOM 0 HA LEU A 63 1.274 -5.051 2.475 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.526 -7.790 2.968 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.361 -7.511 1.690 1.00 0.00 H new ATOM 0 HG LEU A 63 3.860 -5.794 2.006 1.00 0.00 H new ATOM 0 HD11 LEU A 63 4.866 -7.200 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.521 -8.162 1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.446 -8.271 0.273 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.396 -5.272 -0.374 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.974 -6.342 -0.331 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.003 -4.860 0.653 1.00 0.00 H new ATOM 483 N LYS A 64 0.303 -7.122 4.846 1.00 0.00 N ATOM 484 CA LYS A 64 -0.917 -7.625 5.538 1.00 0.00 C ATOM 485 C LYS A 64 -1.796 -6.433 5.917 1.00 0.00 C ATOM 486 O LYS A 64 -3.004 -6.469 5.784 1.00 0.00 O ATOM 487 CB LYS A 64 -0.510 -8.374 6.808 1.00 0.00 C ATOM 488 CG LYS A 64 -0.877 -9.853 6.676 1.00 0.00 C ATOM 489 CD LYS A 64 -0.764 -10.528 8.044 1.00 0.00 C ATOM 490 CE LYS A 64 -1.785 -11.662 8.138 1.00 0.00 C ATOM 491 NZ LYS A 64 -1.765 -12.237 9.513 1.00 0.00 N ATOM 0 H LYS A 64 1.187 -7.392 5.277 1.00 0.00 H new ATOM 0 HA LYS A 64 -1.464 -8.299 4.879 1.00 0.00 H new ATOM 0 HB2 LYS A 64 0.562 -8.269 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -1.012 -7.941 7.673 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -1.892 -9.954 6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.214 -10.341 5.961 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.244 -10.919 8.187 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.939 -9.800 8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -2.782 -11.288 7.903 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -1.554 -12.435 7.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -2.460 -13.008 9.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -0.816 -12.608 9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -2.006 -11.497 10.202 1.00 0.00 H new ATOM 492 N PHE A 65 -1.194 -5.372 6.388 1.00 0.00 N ATOM 493 CA PHE A 65 -1.986 -4.174 6.776 1.00 0.00 C ATOM 494 C PHE A 65 -1.619 -3.004 5.860 1.00 0.00 C ATOM 495 O PHE A 65 -1.598 -1.867 6.276 1.00 0.00 O ATOM 496 CB PHE A 65 -1.672 -3.804 8.229 1.00 0.00 C ATOM 497 CG PHE A 65 -1.834 -5.025 9.104 1.00 0.00 C ATOM 498 CD1 PHE A 65 -0.826 -5.997 9.142 1.00 0.00 C ATOM 499 CD2 PHE A 65 -2.991 -5.187 9.876 1.00 0.00 C ATOM 500 CE1 PHE A 65 -0.975 -7.130 9.950 1.00 0.00 C ATOM 501 CE2 PHE A 65 -3.140 -6.320 10.685 1.00 0.00 C ATOM 502 CZ PHE A 65 -2.132 -7.292 10.721 1.00 0.00 C ATOM 0 H PHE A 65 -0.186 -5.286 6.520 1.00 0.00 H new ATOM 0 HA PHE A 65 -3.049 -4.392 6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -0.655 -3.420 8.306 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -2.339 -3.010 8.566 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.067 -5.872 8.547 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -3.768 -4.438 9.847 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.198 -7.879 9.979 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -4.032 -6.445 11.281 1.00 0.00 H new ATOM 0 HZ PHE A 65 -2.248 -8.167 11.344 1.00 0.00 H new ATOM 503 N VAL A 66 -1.313 -3.279 4.621 1.00 0.00 N ATOM 504 CA VAL A 66 -0.931 -2.183 3.677 1.00 0.00 C ATOM 505 C VAL A 66 -1.798 -0.931 3.896 1.00 0.00 C ATOM 506 O VAL A 66 -1.344 0.179 3.703 1.00 0.00 O ATOM 507 CB VAL A 66 -1.106 -2.667 2.235 1.00 0.00 C ATOM 508 CG1 VAL A 66 -2.493 -3.289 2.067 1.00 0.00 C ATOM 509 CG2 VAL A 66 -0.962 -1.480 1.276 1.00 0.00 C ATOM 0 H VAL A 66 -1.310 -4.216 4.219 1.00 0.00 H new ATOM 0 HA VAL A 66 0.110 -1.921 3.865 1.00 0.00 H new ATOM 0 HB VAL A 66 -0.344 -3.413 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.616 -3.633 1.040 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.598 -4.134 2.748 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -3.256 -2.544 2.294 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -1.087 -1.824 0.249 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.724 -0.734 1.503 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.027 -1.036 1.392 1.00 0.00 H new ATOM 510 N LEU A 67 -3.040 -1.085 4.279 1.00 0.00 N ATOM 511 CA LEU A 67 -3.907 0.110 4.482 1.00 0.00 C ATOM 512 C LEU A 67 -4.064 0.386 5.973 1.00 0.00 C ATOM 513 O LEU A 67 -5.142 0.672 6.455 1.00 0.00 O ATOM 514 CB LEU A 67 -5.279 -0.148 3.859 1.00 0.00 C ATOM 515 CG LEU A 67 -5.106 -0.996 2.599 1.00 0.00 C ATOM 516 CD1 LEU A 67 -6.478 -1.419 2.071 1.00 0.00 C ATOM 517 CD2 LEU A 67 -4.378 -0.175 1.531 1.00 0.00 C ATOM 0 H LEU A 67 -3.488 -1.984 4.459 1.00 0.00 H new ATOM 0 HA LEU A 67 -3.448 0.976 4.006 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -5.925 -0.661 4.572 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -5.764 0.797 3.613 1.00 0.00 H new ATOM 0 HG LEU A 67 -4.522 -1.885 2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -6.352 -2.023 1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -6.996 -2.003 2.831 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -7.065 -0.532 1.832 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.253 -0.777 0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.963 0.714 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.399 0.124 1.906 1.00 0.00 H new ATOM 518 N LYS A 68 -2.992 0.313 6.703 1.00 0.00 N ATOM 519 CA LYS A 68 -3.069 0.584 8.162 1.00 0.00 C ATOM 520 C LYS A 68 -2.953 2.089 8.385 1.00 0.00 C ATOM 521 O LYS A 68 -3.645 2.662 9.203 1.00 0.00 O ATOM 522 CB LYS A 68 -1.926 -0.131 8.884 1.00 0.00 C ATOM 523 CG LYS A 68 -2.179 -0.097 10.391 1.00 0.00 C ATOM 524 CD LYS A 68 -0.846 0.024 11.130 1.00 0.00 C ATOM 525 CE LYS A 68 -0.439 1.496 11.215 1.00 0.00 C ATOM 526 NZ LYS A 68 0.942 1.594 11.764 1.00 0.00 N ATOM 0 H LYS A 68 -2.063 0.077 6.353 1.00 0.00 H new ATOM 0 HA LYS A 68 -4.018 0.219 8.556 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.852 -1.162 8.539 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -0.976 0.351 8.652 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.824 0.745 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -2.699 -1.002 10.704 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -0.934 -0.398 12.131 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -0.077 -0.547 10.610 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.483 1.955 10.227 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.135 2.042 11.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 1.222 2.594 11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 0.969 1.170 12.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.601 1.086 11.139 1.00 0.00 H new ATOM 527 N SER A 69 -2.093 2.740 7.648 1.00 0.00 N ATOM 528 CA SER A 69 -1.952 4.210 7.805 1.00 0.00 C ATOM 529 C SER A 69 -3.276 4.856 7.406 1.00 0.00 C ATOM 530 O SER A 69 -3.590 5.961 7.800 1.00 0.00 O ATOM 531 CB SER A 69 -0.830 4.721 6.902 1.00 0.00 C ATOM 532 OG SER A 69 0.304 3.876 7.042 1.00 0.00 O ATOM 0 H SER A 69 -1.485 2.316 6.947 1.00 0.00 H new ATOM 0 HA SER A 69 -1.706 4.460 8.837 1.00 0.00 H new ATOM 0 HB2 SER A 69 -1.161 4.736 5.864 1.00 0.00 H new ATOM 0 HB3 SER A 69 -0.570 5.745 7.169 1.00 0.00 H new ATOM 0 HG SER A 69 1.026 4.199 6.463 1.00 0.00 H new ATOM 533 N PHE A 70 -4.064 4.153 6.640 1.00 0.00 N ATOM 534 CA PHE A 70 -5.384 4.694 6.224 1.00 0.00 C ATOM 535 C PHE A 70 -6.417 4.284 7.273 1.00 0.00 C ATOM 536 O PHE A 70 -7.454 4.900 7.421 1.00 0.00 O ATOM 537 CB PHE A 70 -5.778 4.106 4.865 1.00 0.00 C ATOM 538 CG PHE A 70 -4.778 4.523 3.807 1.00 0.00 C ATOM 539 CD1 PHE A 70 -3.875 5.566 4.056 1.00 0.00 C ATOM 540 CD2 PHE A 70 -4.758 3.862 2.573 1.00 0.00 C ATOM 541 CE1 PHE A 70 -2.954 5.945 3.072 1.00 0.00 C ATOM 542 CE2 PHE A 70 -3.836 4.242 1.589 1.00 0.00 C ATOM 543 CZ PHE A 70 -2.935 5.283 1.839 1.00 0.00 C ATOM 0 H PHE A 70 -3.847 3.222 6.284 1.00 0.00 H new ATOM 0 HA PHE A 70 -5.336 5.780 6.139 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.819 3.019 4.929 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -6.776 4.447 4.588 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -3.890 6.077 5.007 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -5.454 3.059 2.380 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -2.258 6.748 3.264 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -3.821 3.731 0.637 1.00 0.00 H new ATOM 0 HZ PHE A 70 -2.225 5.576 1.080 1.00 0.00 H new ATOM 544 N ALA A 71 -6.128 3.241 8.007 1.00 0.00 N ATOM 545 CA ALA A 71 -7.073 2.770 9.059 1.00 0.00 C ATOM 546 C ALA A 71 -6.342 1.804 9.996 1.00 0.00 C ATOM 547 O ALA A 71 -5.886 0.757 9.583 1.00 0.00 O ATOM 548 CB ALA A 71 -8.250 2.047 8.401 1.00 0.00 C ATOM 0 H ALA A 71 -5.272 2.693 7.921 1.00 0.00 H new ATOM 0 HA ALA A 71 -7.444 3.623 9.627 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -8.941 1.702 9.170 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -8.767 2.731 7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -7.881 1.192 7.835 1.00 0.00 H new ATOM 549 N ALA A 72 -6.228 2.147 11.255 1.00 0.00 N ATOM 550 CA ALA A 72 -5.528 1.243 12.216 1.00 0.00 C ATOM 551 C ALA A 72 -5.946 -0.201 11.939 1.00 0.00 C ATOM 552 O ALA A 72 -5.153 -1.118 12.014 1.00 0.00 O ATOM 553 CB ALA A 72 -5.913 1.621 13.648 1.00 0.00 C ATOM 0 H ALA A 72 -6.589 3.012 11.657 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.449 1.343 12.095 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -5.402 0.961 14.349 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.621 2.653 13.843 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.991 1.519 13.774 1.00 0.00 H new ATOM 554 N ASP A 73 -7.189 -0.400 11.603 1.00 0.00 N ATOM 555 CA ASP A 73 -7.677 -1.772 11.298 1.00 0.00 C ATOM 556 C ASP A 73 -8.700 -1.678 10.168 1.00 0.00 C ATOM 557 O ASP A 73 -9.859 -1.999 10.338 1.00 0.00 O ATOM 558 CB ASP A 73 -8.339 -2.372 12.539 1.00 0.00 C ATOM 559 CG ASP A 73 -8.314 -3.898 12.438 1.00 0.00 C ATOM 560 OD1 ASP A 73 -7.335 -4.422 11.932 1.00 0.00 O ATOM 561 OD2 ASP A 73 -9.275 -4.517 12.865 1.00 0.00 O ATOM 0 H ASP A 73 -7.893 0.335 11.526 1.00 0.00 H new ATOM 0 HA ASP A 73 -6.843 -2.408 11.000 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -7.815 -2.047 13.438 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.367 -2.019 12.624 1.00 0.00 H new ATOM 562 N GLY A 74 -8.284 -1.219 9.019 1.00 0.00 N ATOM 563 CA GLY A 74 -9.236 -1.082 7.886 1.00 0.00 C ATOM 564 C GLY A 74 -9.301 -2.382 7.088 1.00 0.00 C ATOM 565 O GLY A 74 -10.168 -3.207 7.294 1.00 0.00 O ATOM 0 H GLY A 74 -7.326 -0.934 8.818 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.227 -0.829 8.263 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -8.924 -0.264 7.237 1.00 0.00 H new ATOM 566 N ARG A 75 -8.403 -2.560 6.162 1.00 0.00 N ATOM 567 CA ARG A 75 -8.426 -3.797 5.331 1.00 0.00 C ATOM 568 C ARG A 75 -7.566 -4.892 5.966 1.00 0.00 C ATOM 569 O ARG A 75 -6.357 -4.794 6.023 1.00 0.00 O ATOM 570 CB ARG A 75 -7.892 -3.480 3.934 1.00 0.00 C ATOM 571 CG ARG A 75 -9.064 -3.166 3.002 1.00 0.00 C ATOM 572 CD ARG A 75 -9.813 -4.456 2.665 1.00 0.00 C ATOM 573 NE ARG A 75 -8.892 -5.400 1.971 1.00 0.00 N ATOM 574 CZ ARG A 75 -8.413 -6.429 2.613 1.00 0.00 C ATOM 575 NH1 ARG A 75 -9.203 -7.408 2.956 1.00 0.00 N ATOM 576 NH2 ARG A 75 -7.143 -6.483 2.906 1.00 0.00 N ATOM 0 H ARG A 75 -7.654 -1.903 5.943 1.00 0.00 H new ATOM 0 HA ARG A 75 -9.454 -4.154 5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -7.210 -2.631 3.977 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.323 -4.327 3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.740 -2.455 3.478 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.699 -2.696 2.088 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.200 -4.913 3.576 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -10.671 -4.235 2.030 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.637 -5.242 0.996 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -10.195 -7.369 2.722 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.829 -8.213 3.458 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -6.524 -5.720 2.633 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.769 -7.288 3.408 1.00 0.00 H new ATOM 577 N ASP A 76 -8.185 -5.946 6.421 1.00 0.00 N ATOM 578 CA ASP A 76 -7.412 -7.066 7.029 1.00 0.00 C ATOM 579 C ASP A 76 -7.029 -8.053 5.924 1.00 0.00 C ATOM 580 O ASP A 76 -7.879 -8.646 5.289 1.00 0.00 O ATOM 581 CB ASP A 76 -8.275 -7.781 8.071 1.00 0.00 C ATOM 582 CG ASP A 76 -7.397 -8.234 9.240 1.00 0.00 C ATOM 583 OD1 ASP A 76 -6.497 -7.494 9.602 1.00 0.00 O ATOM 584 OD2 ASP A 76 -7.639 -9.314 9.753 1.00 0.00 O ATOM 0 H ASP A 76 -9.196 -6.081 6.398 1.00 0.00 H new ATOM 0 HA ASP A 76 -6.516 -6.677 7.513 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -9.059 -7.113 8.429 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -8.770 -8.641 7.620 1.00 0.00 H new ATOM 585 N LEU A 77 -5.759 -8.227 5.678 1.00 0.00 N ATOM 586 CA LEU A 77 -5.333 -9.168 4.603 1.00 0.00 C ATOM 587 C LEU A 77 -5.783 -10.591 4.947 1.00 0.00 C ATOM 588 O LEU A 77 -5.931 -10.948 6.099 1.00 0.00 O ATOM 589 CB LEU A 77 -3.812 -9.124 4.459 1.00 0.00 C ATOM 590 CG LEU A 77 -3.441 -8.199 3.297 1.00 0.00 C ATOM 591 CD1 LEU A 77 -3.861 -8.846 1.977 1.00 0.00 C ATOM 592 CD2 LEU A 77 -4.166 -6.861 3.459 1.00 0.00 C ATOM 0 H LEU A 77 -5.000 -7.760 6.173 1.00 0.00 H new ATOM 0 HA LEU A 77 -5.793 -8.870 3.661 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.358 -8.766 5.383 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -3.423 -10.126 4.280 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.364 -8.032 3.295 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -3.597 -8.188 1.149 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -3.347 -9.800 1.860 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.938 -9.012 1.980 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.902 -6.202 2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.243 -7.029 3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.870 -6.398 4.400 1.00 0.00 H new ATOM 593 N THR A 78 -6.015 -11.402 3.948 1.00 0.00 N ATOM 594 CA THR A 78 -6.472 -12.801 4.194 1.00 0.00 C ATOM 595 C THR A 78 -5.290 -13.758 4.146 1.00 0.00 C ATOM 596 O THR A 78 -5.344 -14.854 4.664 1.00 0.00 O ATOM 597 CB THR A 78 -7.444 -13.184 3.087 1.00 0.00 C ATOM 598 OG1 THR A 78 -7.317 -12.262 2.013 1.00 0.00 O ATOM 599 CG2 THR A 78 -8.873 -13.155 3.621 1.00 0.00 C ATOM 0 H THR A 78 -5.906 -11.153 2.965 1.00 0.00 H new ATOM 0 HA THR A 78 -6.944 -12.862 5.175 1.00 0.00 H new ATOM 0 HB THR A 78 -7.216 -14.190 2.735 1.00 0.00 H new ATOM 0 HG1 THR A 78 -8.043 -12.406 1.371 1.00 0.00 H new ATOM 0 HG21 THR A 78 -9.565 -13.430 2.825 1.00 0.00 H new ATOM 0 HG22 THR A 78 -8.968 -13.863 4.445 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.109 -12.152 3.976 1.00 0.00 H new ATOM 600 N ASP A 79 -4.262 -13.339 3.475 1.00 0.00 N ATOM 601 CA ASP A 79 -3.031 -14.162 3.268 1.00 0.00 C ATOM 602 C ASP A 79 -2.899 -14.276 1.764 1.00 0.00 C ATOM 603 O ASP A 79 -1.967 -13.775 1.167 1.00 0.00 O ATOM 604 CB ASP A 79 -3.154 -15.561 3.884 1.00 0.00 C ATOM 605 CG ASP A 79 -1.862 -16.341 3.639 1.00 0.00 C ATOM 606 OD1 ASP A 79 -1.690 -16.832 2.536 1.00 0.00 O ATOM 607 OD2 ASP A 79 -1.065 -16.434 4.559 1.00 0.00 O ATOM 0 H ASP A 79 -4.217 -12.418 3.039 1.00 0.00 H new ATOM 0 HA ASP A 79 -2.168 -13.700 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -3.347 -15.483 4.954 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.000 -16.090 3.445 1.00 0.00 H new ATOM 608 N ALA A 80 -3.870 -14.879 1.136 1.00 0.00 N ATOM 609 CA ALA A 80 -3.840 -14.957 -0.350 1.00 0.00 C ATOM 610 C ALA A 80 -3.921 -13.517 -0.888 1.00 0.00 C ATOM 611 O ALA A 80 -3.276 -13.160 -1.856 1.00 0.00 O ATOM 612 CB ALA A 80 -5.037 -15.765 -0.855 1.00 0.00 C ATOM 0 H ALA A 80 -4.676 -15.317 1.583 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.928 -15.447 -0.690 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.008 -15.817 -1.943 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.996 -16.773 -0.442 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.962 -15.281 -0.540 1.00 0.00 H new ATOM 613 N GLU A 81 -4.700 -12.683 -0.237 1.00 0.00 N ATOM 614 CA GLU A 81 -4.825 -11.257 -0.663 1.00 0.00 C ATOM 615 C GLU A 81 -3.446 -10.597 -0.569 1.00 0.00 C ATOM 616 O GLU A 81 -3.062 -9.784 -1.387 1.00 0.00 O ATOM 617 CB GLU A 81 -5.798 -10.549 0.279 1.00 0.00 C ATOM 618 CG GLU A 81 -6.079 -9.142 -0.243 1.00 0.00 C ATOM 619 CD GLU A 81 -7.300 -8.567 0.476 1.00 0.00 C ATOM 620 OE1 GLU A 81 -7.344 -8.660 1.692 1.00 0.00 O ATOM 621 OE2 GLU A 81 -8.171 -8.045 -0.200 1.00 0.00 O ATOM 0 H GLU A 81 -5.258 -12.935 0.579 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.194 -11.193 -1.687 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.727 -11.114 0.351 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -5.377 -10.499 1.283 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.212 -8.502 -0.079 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -6.256 -9.170 -1.318 1.00 0.00 H new ATOM 622 N THR A 82 -2.703 -10.981 0.426 1.00 0.00 N ATOM 623 CA THR A 82 -1.343 -10.469 0.648 1.00 0.00 C ATOM 624 C THR A 82 -0.422 -11.180 -0.325 1.00 0.00 C ATOM 625 O THR A 82 0.654 -10.714 -0.645 1.00 0.00 O ATOM 626 CB THR A 82 -0.954 -10.843 2.072 1.00 0.00 C ATOM 627 OG1 THR A 82 -1.724 -10.075 2.986 1.00 0.00 O ATOM 628 CG2 THR A 82 0.534 -10.575 2.305 1.00 0.00 C ATOM 0 H THR A 82 -3.006 -11.662 1.122 1.00 0.00 H new ATOM 0 HA THR A 82 -1.280 -9.391 0.503 1.00 0.00 H new ATOM 0 HB THR A 82 -1.147 -11.905 2.226 1.00 0.00 H new ATOM 0 HG1 THR A 82 -1.466 -10.303 3.903 1.00 0.00 H new ATOM 0 HG21 THR A 82 0.797 -10.847 3.327 1.00 0.00 H new ATOM 0 HG22 THR A 82 1.124 -11.170 1.608 1.00 0.00 H new ATOM 0 HG23 THR A 82 0.742 -9.517 2.146 1.00 0.00 H new ATOM 629 N LYS A 83 -0.851 -12.309 -0.815 1.00 0.00 N ATOM 630 CA LYS A 83 -0.022 -13.042 -1.771 1.00 0.00 C ATOM 631 C LYS A 83 -0.170 -12.356 -3.116 1.00 0.00 C ATOM 632 O LYS A 83 0.562 -12.617 -4.050 1.00 0.00 O ATOM 633 CB LYS A 83 -0.482 -14.500 -1.863 1.00 0.00 C ATOM 634 CG LYS A 83 0.472 -15.284 -2.767 1.00 0.00 C ATOM 635 CD LYS A 83 1.054 -16.471 -1.995 1.00 0.00 C ATOM 636 CE LYS A 83 0.675 -17.774 -2.703 1.00 0.00 C ATOM 637 NZ LYS A 83 0.426 -18.837 -1.689 1.00 0.00 N ATOM 0 H LYS A 83 -1.744 -12.745 -0.585 1.00 0.00 H new ATOM 0 HA LYS A 83 1.021 -13.044 -1.454 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -0.507 -14.947 -0.869 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -1.496 -14.547 -2.260 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.058 -15.637 -3.652 1.00 0.00 H new ATOM 0 HG3 LYS A 83 1.275 -14.635 -3.115 1.00 0.00 H new ATOM 0 HD2 LYS A 83 2.138 -16.381 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.674 -16.476 -0.973 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.216 -17.623 -3.313 1.00 0.00 H new ATOM 0 HE3 LYS A 83 1.475 -18.080 -3.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 0.168 -19.722 -2.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 1.287 -18.987 -1.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -0.351 -18.544 -1.063 1.00 0.00 H new ATOM 638 N ALA A 84 -1.115 -11.458 -3.213 1.00 0.00 N ATOM 639 CA ALA A 84 -1.305 -10.741 -4.480 1.00 0.00 C ATOM 640 C ALA A 84 -0.433 -9.485 -4.452 1.00 0.00 C ATOM 641 O ALA A 84 0.332 -9.216 -5.358 1.00 0.00 O ATOM 642 CB ALA A 84 -2.776 -10.352 -4.644 1.00 0.00 C ATOM 0 H ALA A 84 -1.756 -11.199 -2.463 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.022 -11.377 -5.319 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.909 -9.820 -5.586 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.392 -11.251 -4.644 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -3.076 -9.707 -3.818 1.00 0.00 H new ATOM 643 N PHE A 85 -0.538 -8.727 -3.395 1.00 0.00 N ATOM 644 CA PHE A 85 0.281 -7.493 -3.258 1.00 0.00 C ATOM 645 C PHE A 85 1.757 -7.874 -3.318 1.00 0.00 C ATOM 646 O PHE A 85 2.542 -7.271 -4.020 1.00 0.00 O ATOM 647 CB PHE A 85 -0.010 -6.856 -1.899 1.00 0.00 C ATOM 648 CG PHE A 85 0.139 -5.357 -1.986 1.00 0.00 C ATOM 649 CD1 PHE A 85 1.376 -4.790 -2.317 1.00 0.00 C ATOM 650 CD2 PHE A 85 -0.961 -4.534 -1.726 1.00 0.00 C ATOM 651 CE1 PHE A 85 1.510 -3.398 -2.390 1.00 0.00 C ATOM 652 CE2 PHE A 85 -0.828 -3.143 -1.797 1.00 0.00 C ATOM 653 CZ PHE A 85 0.408 -2.575 -2.129 1.00 0.00 C ATOM 0 H PHE A 85 -1.164 -8.914 -2.612 1.00 0.00 H new ATOM 0 HA PHE A 85 0.042 -6.793 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -1.020 -7.111 -1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.673 -7.254 -1.148 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.226 -5.426 -2.516 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -1.914 -4.972 -1.470 1.00 0.00 H new ATOM 0 HE1 PHE A 85 2.463 -2.960 -2.647 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -1.678 -2.508 -1.596 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.511 -1.501 -2.184 1.00 0.00 H new ATOM 654 N LEU A 86 2.137 -8.873 -2.571 1.00 0.00 N ATOM 655 CA LEU A 86 3.562 -9.306 -2.565 1.00 0.00 C ATOM 656 C LEU A 86 3.972 -9.791 -3.962 1.00 0.00 C ATOM 657 O LEU A 86 5.050 -9.494 -4.441 1.00 0.00 O ATOM 658 CB LEU A 86 3.733 -10.445 -1.558 1.00 0.00 C ATOM 659 CG LEU A 86 5.201 -10.866 -1.506 1.00 0.00 C ATOM 660 CD1 LEU A 86 6.009 -9.809 -0.750 1.00 0.00 C ATOM 661 CD2 LEU A 86 5.320 -12.210 -0.782 1.00 0.00 C ATOM 0 H LEU A 86 1.519 -9.410 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 86 4.194 -8.464 -2.285 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.401 -10.124 -0.571 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.111 -11.293 -1.844 1.00 0.00 H new ATOM 0 HG LEU A 86 5.587 -10.962 -2.521 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.056 -10.109 -0.713 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.924 -8.851 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.623 -9.713 0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.367 -12.512 -0.744 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.934 -12.112 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.744 -12.964 -1.318 1.00 0.00 H new ATOM 662 N LYS A 87 3.130 -10.547 -4.613 1.00 0.00 N ATOM 663 CA LYS A 87 3.481 -11.063 -5.970 1.00 0.00 C ATOM 664 C LYS A 87 3.241 -9.976 -7.026 1.00 0.00 C ATOM 665 O LYS A 87 3.392 -10.204 -8.209 1.00 0.00 O ATOM 666 CB LYS A 87 2.614 -12.291 -6.276 1.00 0.00 C ATOM 667 CG LYS A 87 3.029 -12.922 -7.612 1.00 0.00 C ATOM 668 CD LYS A 87 4.493 -13.365 -7.549 1.00 0.00 C ATOM 669 CE LYS A 87 5.248 -12.803 -8.755 1.00 0.00 C ATOM 670 NZ LYS A 87 6.130 -13.860 -9.327 1.00 0.00 N ATOM 0 H LYS A 87 2.214 -10.830 -4.265 1.00 0.00 H new ATOM 0 HA LYS A 87 4.534 -11.342 -5.993 1.00 0.00 H new ATOM 0 HB2 LYS A 87 2.714 -13.023 -5.475 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.564 -12.002 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 87 2.391 -13.777 -7.833 1.00 0.00 H new ATOM 0 HG3 LYS A 87 2.892 -12.204 -8.421 1.00 0.00 H new ATOM 0 HD2 LYS A 87 4.951 -13.014 -6.624 1.00 0.00 H new ATOM 0 HD3 LYS A 87 4.555 -14.453 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.542 -12.456 -9.510 1.00 0.00 H new ATOM 0 HE3 LYS A 87 5.844 -11.941 -8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 6.643 -13.478 -10.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.812 -14.171 -8.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 5.551 -14.670 -9.628 1.00 0.00 H new ATOM 671 N ALA A 88 2.881 -8.793 -6.611 1.00 0.00 N ATOM 672 CA ALA A 88 2.647 -7.701 -7.596 1.00 0.00 C ATOM 673 C ALA A 88 3.609 -6.549 -7.304 1.00 0.00 C ATOM 674 O ALA A 88 3.814 -5.675 -8.122 1.00 0.00 O ATOM 675 CB ALA A 88 1.206 -7.203 -7.481 1.00 0.00 C ATOM 0 H ALA A 88 2.739 -8.536 -5.634 1.00 0.00 H new ATOM 0 HA ALA A 88 2.817 -8.077 -8.605 1.00 0.00 H new ATOM 0 HB1 ALA A 88 1.038 -6.404 -8.203 1.00 0.00 H new ATOM 0 HB2 ALA A 88 0.520 -8.025 -7.684 1.00 0.00 H new ATOM 0 HB3 ALA A 88 1.031 -6.824 -6.474 1.00 0.00 H new ATOM 676 N ALA A 89 4.200 -6.542 -6.140 1.00 0.00 N ATOM 677 CA ALA A 89 5.147 -5.449 -5.793 1.00 0.00 C ATOM 678 C ALA A 89 6.480 -6.050 -5.345 1.00 0.00 C ATOM 679 O ALA A 89 7.306 -5.381 -4.757 1.00 0.00 O ATOM 680 CB ALA A 89 4.561 -4.604 -4.661 1.00 0.00 C ATOM 0 H ALA A 89 4.067 -7.247 -5.415 1.00 0.00 H new ATOM 0 HA ALA A 89 5.309 -4.820 -6.668 1.00 0.00 H new ATOM 0 HB1 ALA A 89 5.256 -3.803 -4.407 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.613 -4.173 -4.982 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.396 -5.232 -3.786 1.00 0.00 H new ATOM 681 N ASP A 90 6.699 -7.308 -5.619 1.00 0.00 N ATOM 682 CA ASP A 90 7.980 -7.946 -5.210 1.00 0.00 C ATOM 683 C ASP A 90 8.550 -8.735 -6.391 1.00 0.00 C ATOM 684 O ASP A 90 8.677 -9.942 -6.341 1.00 0.00 O ATOM 685 CB ASP A 90 7.723 -8.892 -4.036 1.00 0.00 C ATOM 686 CG ASP A 90 9.017 -9.082 -3.245 1.00 0.00 C ATOM 687 OD1 ASP A 90 9.447 -8.130 -2.613 1.00 0.00 O ATOM 688 OD2 ASP A 90 9.556 -10.175 -3.284 1.00 0.00 O ATOM 0 H ASP A 90 6.046 -7.920 -6.108 1.00 0.00 H new ATOM 0 HA ASP A 90 8.693 -7.179 -4.907 1.00 0.00 H new ATOM 0 HB2 ASP A 90 6.945 -8.485 -3.390 1.00 0.00 H new ATOM 0 HB3 ASP A 90 7.363 -9.854 -4.402 1.00 0.00 H new ATOM 689 N LYS A 91 8.891 -8.061 -7.455 1.00 0.00 N ATOM 690 CA LYS A 91 9.448 -8.769 -8.641 1.00 0.00 C ATOM 691 C LYS A 91 10.810 -9.371 -8.290 1.00 0.00 C ATOM 692 O LYS A 91 11.104 -10.501 -8.626 1.00 0.00 O ATOM 693 CB LYS A 91 9.610 -7.777 -9.794 1.00 0.00 C ATOM 694 CG LYS A 91 9.472 -8.518 -11.123 1.00 0.00 C ATOM 695 CD LYS A 91 9.087 -7.527 -12.221 1.00 0.00 C ATOM 696 CE LYS A 91 8.060 -8.173 -13.152 1.00 0.00 C ATOM 697 NZ LYS A 91 8.394 -7.840 -14.565 1.00 0.00 N ATOM 0 H LYS A 91 8.808 -7.049 -7.554 1.00 0.00 H new ATOM 0 HA LYS A 91 8.768 -9.567 -8.938 1.00 0.00 H new ATOM 0 HB2 LYS A 91 8.857 -6.993 -9.722 1.00 0.00 H new ATOM 0 HB3 LYS A 91 10.583 -7.290 -9.736 1.00 0.00 H new ATOM 0 HG2 LYS A 91 10.411 -9.011 -11.376 1.00 0.00 H new ATOM 0 HG3 LYS A 91 8.715 -9.298 -11.040 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.674 -6.620 -11.779 1.00 0.00 H new ATOM 0 HD3 LYS A 91 9.971 -7.232 -12.786 1.00 0.00 H new ATOM 0 HE2 LYS A 91 8.056 -9.254 -13.013 1.00 0.00 H new ATOM 0 HE3 LYS A 91 7.059 -7.817 -12.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 7.696 -8.279 -15.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 8.376 -6.808 -14.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 9.343 -8.201 -14.792 1.00 0.00 H new ATOM 698 N ASP A 92 11.645 -8.627 -7.619 1.00 0.00 N ATOM 699 CA ASP A 92 12.985 -9.163 -7.251 1.00 0.00 C ATOM 700 C ASP A 92 12.818 -10.360 -6.311 1.00 0.00 C ATOM 701 O ASP A 92 13.738 -11.123 -6.092 1.00 0.00 O ATOM 702 CB ASP A 92 13.798 -8.071 -6.552 1.00 0.00 C ATOM 703 CG ASP A 92 13.135 -7.710 -5.222 1.00 0.00 C ATOM 704 OD1 ASP A 92 12.002 -8.113 -5.019 1.00 0.00 O ATOM 705 OD2 ASP A 92 13.772 -7.036 -4.429 1.00 0.00 O ATOM 0 H ASP A 92 11.458 -7.673 -7.310 1.00 0.00 H new ATOM 0 HA ASP A 92 13.508 -9.482 -8.153 1.00 0.00 H new ATOM 0 HB2 ASP A 92 14.817 -8.416 -6.380 1.00 0.00 H new ATOM 0 HB3 ASP A 92 13.864 -7.189 -7.189 1.00 0.00 H new ATOM 706 N GLY A 93 11.651 -10.532 -5.754 1.00 0.00 N ATOM 707 CA GLY A 93 11.430 -11.680 -4.830 1.00 0.00 C ATOM 708 C GLY A 93 12.356 -11.551 -3.619 1.00 0.00 C ATOM 709 O GLY A 93 12.912 -12.521 -3.144 1.00 0.00 O ATOM 0 H GLY A 93 10.842 -9.928 -5.898 1.00 0.00 H new ATOM 0 HA2 GLY A 93 10.390 -11.702 -4.504 1.00 0.00 H new ATOM 0 HA3 GLY A 93 11.622 -12.619 -5.349 1.00 0.00 H new ATOM 710 N ASP A 94 12.528 -10.359 -3.116 1.00 0.00 N ATOM 711 CA ASP A 94 13.421 -10.170 -1.937 1.00 0.00 C ATOM 712 C ASP A 94 12.587 -10.149 -0.654 1.00 0.00 C ATOM 713 O ASP A 94 13.115 -10.136 0.440 1.00 0.00 O ATOM 714 CB ASP A 94 14.176 -8.847 -2.077 1.00 0.00 C ATOM 715 CG ASP A 94 13.200 -7.680 -1.909 1.00 0.00 C ATOM 716 OD1 ASP A 94 12.253 -7.612 -2.675 1.00 0.00 O ATOM 717 OD2 ASP A 94 13.417 -6.875 -1.018 1.00 0.00 O ATOM 0 H ASP A 94 12.090 -9.509 -3.470 1.00 0.00 H new ATOM 0 HA ASP A 94 14.133 -10.994 -1.889 1.00 0.00 H new ATOM 0 HB2 ASP A 94 14.965 -8.786 -1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 94 14.659 -8.793 -3.053 1.00 0.00 H new ATOM 718 N GLY A 95 11.288 -10.145 -0.774 1.00 0.00 N ATOM 719 CA GLY A 95 10.429 -10.124 0.443 1.00 0.00 C ATOM 720 C GLY A 95 10.454 -8.726 1.062 1.00 0.00 C ATOM 721 O GLY A 95 10.067 -8.533 2.197 1.00 0.00 O ATOM 0 H GLY A 95 10.785 -10.155 -1.661 1.00 0.00 H new ATOM 0 HA2 GLY A 95 9.407 -10.400 0.184 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.785 -10.859 1.165 1.00 0.00 H new ATOM 722 N LYS A 96 10.909 -7.748 0.327 1.00 0.00 N ATOM 723 CA LYS A 96 10.961 -6.364 0.877 1.00 0.00 C ATOM 724 C LYS A 96 10.775 -5.353 -0.251 1.00 0.00 C ATOM 725 O LYS A 96 11.497 -5.353 -1.228 1.00 0.00 O ATOM 726 CB LYS A 96 12.317 -6.130 1.548 1.00 0.00 C ATOM 727 CG LYS A 96 12.780 -7.415 2.238 1.00 0.00 C ATOM 728 CD LYS A 96 14.245 -7.271 2.653 1.00 0.00 C ATOM 729 CE LYS A 96 15.146 -7.857 1.564 1.00 0.00 C ATOM 730 NZ LYS A 96 16.086 -6.807 1.080 1.00 0.00 N ATOM 0 H LYS A 96 11.247 -7.848 -0.630 1.00 0.00 H new ATOM 0 HA LYS A 96 10.164 -6.240 1.610 1.00 0.00 H new ATOM 0 HB2 LYS A 96 13.052 -5.819 0.806 1.00 0.00 H new ATOM 0 HB3 LYS A 96 12.239 -5.323 2.276 1.00 0.00 H new ATOM 0 HG2 LYS A 96 12.161 -7.614 3.113 1.00 0.00 H new ATOM 0 HG3 LYS A 96 12.663 -8.264 1.565 1.00 0.00 H new ATOM 0 HD2 LYS A 96 14.487 -6.220 2.813 1.00 0.00 H new ATOM 0 HD3 LYS A 96 14.418 -7.785 3.598 1.00 0.00 H new ATOM 0 HE2 LYS A 96 15.704 -8.707 1.957 1.00 0.00 H new ATOM 0 HE3 LYS A 96 14.541 -8.228 0.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 16.699 -7.204 0.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 15.544 -6.009 0.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 16.672 -6.473 1.872 1.00 0.00 H new ATOM 731 N ILE A 97 9.812 -4.484 -0.120 1.00 0.00 N ATOM 732 CA ILE A 97 9.581 -3.465 -1.178 1.00 0.00 C ATOM 733 C ILE A 97 10.196 -2.139 -0.736 1.00 0.00 C ATOM 734 O ILE A 97 9.632 -1.428 0.060 1.00 0.00 O ATOM 735 CB ILE A 97 8.078 -3.272 -1.389 1.00 0.00 C ATOM 736 CG1 ILE A 97 7.487 -4.522 -2.046 1.00 0.00 C ATOM 737 CG2 ILE A 97 7.847 -2.064 -2.296 1.00 0.00 C ATOM 738 CD1 ILE A 97 6.739 -5.347 -0.997 1.00 0.00 C ATOM 0 H ILE A 97 9.175 -4.436 0.675 1.00 0.00 H new ATOM 0 HA ILE A 97 10.039 -3.799 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 97 7.594 -3.106 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 97 6.809 -4.237 -2.850 1.00 0.00 H new ATOM 0 HG13 ILE A 97 8.281 -5.119 -2.495 1.00 0.00 H new ATOM 0 HG21 ILE A 97 6.777 -1.923 -2.449 1.00 0.00 H new ATOM 0 HG22 ILE A 97 8.267 -1.173 -1.829 1.00 0.00 H new ATOM 0 HG23 ILE A 97 8.332 -2.233 -3.258 1.00 0.00 H new ATOM 0 HD11 ILE A 97 6.319 -6.237 -1.466 1.00 0.00 H new ATOM 0 HD12 ILE A 97 7.430 -5.645 -0.208 1.00 0.00 H new ATOM 0 HD13 ILE A 97 5.935 -4.748 -0.569 1.00 0.00 H new ATOM 739 N GLY A 98 11.343 -1.795 -1.244 1.00 0.00 N ATOM 740 CA GLY A 98 11.972 -0.509 -0.845 1.00 0.00 C ATOM 741 C GLY A 98 11.144 0.642 -1.411 1.00 0.00 C ATOM 742 O GLY A 98 10.025 0.458 -1.841 1.00 0.00 O ATOM 0 H GLY A 98 11.872 -2.348 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 98 12.026 -0.436 0.241 1.00 0.00 H new ATOM 0 HA3 GLY A 98 12.995 -0.457 -1.219 1.00 0.00 H new ATOM 743 N ILE A 99 11.684 1.825 -1.418 1.00 0.00 N ATOM 744 CA ILE A 99 10.916 2.986 -1.966 1.00 0.00 C ATOM 745 C ILE A 99 10.827 2.875 -3.481 1.00 0.00 C ATOM 746 O ILE A 99 9.791 2.610 -4.019 1.00 0.00 O ATOM 747 CB ILE A 99 11.586 4.321 -1.620 1.00 0.00 C ATOM 748 CG1 ILE A 99 12.027 4.307 -0.167 1.00 0.00 C ATOM 749 CG2 ILE A 99 10.565 5.458 -1.801 1.00 0.00 C ATOM 750 CD1 ILE A 99 10.775 4.357 0.695 1.00 0.00 C ATOM 0 H ILE A 99 12.618 2.043 -1.071 1.00 0.00 H new ATOM 0 HA ILE A 99 9.923 2.962 -1.517 1.00 0.00 H new ATOM 0 HB ILE A 99 12.447 4.471 -2.272 1.00 0.00 H new ATOM 0 HG12 ILE A 99 12.605 3.408 0.049 1.00 0.00 H new ATOM 0 HG13 ILE A 99 12.672 5.159 0.045 1.00 0.00 H new ATOM 0 HG21 ILE A 99 11.034 6.411 -1.557 1.00 0.00 H new ATOM 0 HG22 ILE A 99 10.222 5.477 -2.835 1.00 0.00 H new ATOM 0 HG23 ILE A 99 9.715 5.292 -1.139 1.00 0.00 H new ATOM 0 HD11 ILE A 99 11.057 4.348 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 99 10.219 5.268 0.476 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.150 3.490 0.480 1.00 0.00 H new ATOM 751 N ASP A 100 11.902 3.101 -4.174 1.00 0.00 N ATOM 752 CA ASP A 100 11.851 3.036 -5.666 1.00 0.00 C ATOM 753 C ASP A 100 10.925 1.907 -6.125 1.00 0.00 C ATOM 754 O ASP A 100 10.204 2.047 -7.093 1.00 0.00 O ATOM 755 CB ASP A 100 13.258 2.816 -6.224 1.00 0.00 C ATOM 756 CG ASP A 100 13.872 1.566 -5.589 1.00 0.00 C ATOM 757 OD1 ASP A 100 13.557 1.292 -4.443 1.00 0.00 O ATOM 758 OD2 ASP A 100 14.646 0.904 -6.261 1.00 0.00 O ATOM 0 H ASP A 100 12.814 3.328 -3.779 1.00 0.00 H new ATOM 0 HA ASP A 100 11.458 3.980 -6.042 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.217 2.703 -7.307 1.00 0.00 H new ATOM 0 HB3 ASP A 100 13.882 3.685 -6.017 1.00 0.00 H new ATOM 759 N GLU A 101 10.909 0.805 -5.434 1.00 0.00 N ATOM 760 CA GLU A 101 9.995 -0.299 -5.839 1.00 0.00 C ATOM 761 C GLU A 101 8.569 0.112 -5.476 1.00 0.00 C ATOM 762 O GLU A 101 7.644 -0.045 -6.245 1.00 0.00 O ATOM 763 CB GLU A 101 10.363 -1.580 -5.088 1.00 0.00 C ATOM 764 CG GLU A 101 10.836 -2.638 -6.087 1.00 0.00 C ATOM 765 CD GLU A 101 12.349 -2.823 -5.956 1.00 0.00 C ATOM 766 OE1 GLU A 101 13.072 -1.917 -6.337 1.00 0.00 O ATOM 767 OE2 GLU A 101 12.758 -3.867 -5.477 1.00 0.00 O ATOM 0 H GLU A 101 11.484 0.620 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 101 10.080 -0.484 -6.910 1.00 0.00 H new ATOM 0 HB2 GLU A 101 11.148 -1.375 -4.360 1.00 0.00 H new ATOM 0 HB3 GLU A 101 9.501 -1.949 -4.532 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.326 -3.583 -5.901 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.583 -2.334 -7.103 1.00 0.00 H new ATOM 768 N PHE A 102 8.399 0.636 -4.297 1.00 0.00 N ATOM 769 CA PHE A 102 7.053 1.074 -3.836 1.00 0.00 C ATOM 770 C PHE A 102 6.563 2.288 -4.650 1.00 0.00 C ATOM 771 O PHE A 102 5.473 2.280 -5.177 1.00 0.00 O ATOM 772 CB PHE A 102 7.178 1.453 -2.366 1.00 0.00 C ATOM 773 CG PHE A 102 5.819 1.669 -1.749 1.00 0.00 C ATOM 774 CD1 PHE A 102 5.135 0.595 -1.167 1.00 0.00 C ATOM 775 CD2 PHE A 102 5.259 2.951 -1.729 1.00 0.00 C ATOM 776 CE1 PHE A 102 3.888 0.803 -0.570 1.00 0.00 C ATOM 777 CE2 PHE A 102 4.015 3.160 -1.125 1.00 0.00 C ATOM 778 CZ PHE A 102 3.329 2.087 -0.546 1.00 0.00 C ATOM 0 H PHE A 102 9.149 0.782 -3.621 1.00 0.00 H new ATOM 0 HA PHE A 102 6.329 0.271 -3.974 1.00 0.00 H new ATOM 0 HB2 PHE A 102 7.706 0.666 -1.827 1.00 0.00 H new ATOM 0 HB3 PHE A 102 7.774 2.360 -2.270 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.570 -0.393 -1.179 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.787 3.778 -2.180 1.00 0.00 H new ATOM 0 HE1 PHE A 102 3.356 -0.026 -0.127 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.584 4.150 -1.106 1.00 0.00 H new ATOM 0 HZ PHE A 102 2.368 2.249 -0.080 1.00 0.00 H new ATOM 779 N GLU A 103 7.343 3.338 -4.743 1.00 0.00 N ATOM 780 CA GLU A 103 6.900 4.543 -5.508 1.00 0.00 C ATOM 781 C GLU A 103 6.869 4.245 -7.015 1.00 0.00 C ATOM 782 O GLU A 103 6.362 5.023 -7.798 1.00 0.00 O ATOM 783 CB GLU A 103 7.891 5.683 -5.238 1.00 0.00 C ATOM 784 CG GLU A 103 7.444 6.956 -5.962 1.00 0.00 C ATOM 785 CD GLU A 103 8.593 7.967 -5.973 1.00 0.00 C ATOM 786 OE1 GLU A 103 9.092 8.278 -4.905 1.00 0.00 O ATOM 787 OE2 GLU A 103 8.953 8.413 -7.051 1.00 0.00 O ATOM 0 H GLU A 103 8.269 3.411 -4.321 1.00 0.00 H new ATOM 0 HA GLU A 103 5.896 4.823 -5.189 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.958 5.870 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.887 5.396 -5.574 1.00 0.00 H new ATOM 0 HG2 GLU A 103 7.143 6.720 -6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 103 6.574 7.384 -5.464 1.00 0.00 H new ATOM 788 N THR A 104 7.390 3.126 -7.434 1.00 0.00 N ATOM 789 CA THR A 104 7.381 2.801 -8.878 1.00 0.00 C ATOM 790 C THR A 104 6.105 2.035 -9.184 1.00 0.00 C ATOM 791 O THR A 104 5.322 2.424 -10.028 1.00 0.00 O ATOM 792 CB THR A 104 8.612 1.946 -9.209 1.00 0.00 C ATOM 793 OG1 THR A 104 9.745 2.792 -9.344 1.00 0.00 O ATOM 794 CG2 THR A 104 8.388 1.186 -10.520 1.00 0.00 C ATOM 0 H THR A 104 7.822 2.424 -6.833 1.00 0.00 H new ATOM 0 HA THR A 104 7.415 3.709 -9.480 1.00 0.00 H new ATOM 0 HB THR A 104 8.777 1.228 -8.405 1.00 0.00 H new ATOM 0 HG1 THR A 104 10.375 2.614 -8.615 1.00 0.00 H new ATOM 0 HG21 THR A 104 9.267 0.583 -10.746 1.00 0.00 H new ATOM 0 HG22 THR A 104 7.518 0.537 -10.420 1.00 0.00 H new ATOM 0 HG23 THR A 104 8.219 1.897 -11.329 1.00 0.00 H new ATOM 795 N LEU A 105 5.884 0.948 -8.504 1.00 0.00 N ATOM 796 CA LEU A 105 4.659 0.176 -8.763 1.00 0.00 C ATOM 797 C LEU A 105 3.447 1.023 -8.377 1.00 0.00 C ATOM 798 O LEU A 105 2.471 1.101 -9.096 1.00 0.00 O ATOM 799 CB LEU A 105 4.676 -1.121 -7.950 1.00 0.00 C ATOM 800 CG LEU A 105 3.698 -2.123 -8.565 1.00 0.00 C ATOM 801 CD1 LEU A 105 4.478 -3.202 -9.319 1.00 0.00 C ATOM 802 CD2 LEU A 105 2.874 -2.774 -7.452 1.00 0.00 C ATOM 0 H LEU A 105 6.500 0.568 -7.785 1.00 0.00 H new ATOM 0 HA LEU A 105 4.603 -0.080 -9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 105 5.682 -1.541 -7.936 1.00 0.00 H new ATOM 0 HB3 LEU A 105 4.401 -0.917 -6.915 1.00 0.00 H new ATOM 0 HG LEU A 105 3.034 -1.606 -9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 105 3.781 -3.916 -9.757 1.00 0.00 H new ATOM 0 HD12 LEU A 105 5.068 -2.739 -10.110 1.00 0.00 H new ATOM 0 HD13 LEU A 105 5.142 -3.721 -8.628 1.00 0.00 H new ATOM 0 HD21 LEU A 105 2.176 -3.489 -7.887 1.00 0.00 H new ATOM 0 HD22 LEU A 105 3.540 -3.291 -6.761 1.00 0.00 H new ATOM 0 HD23 LEU A 105 2.319 -2.006 -6.914 1.00 0.00 H new ATOM 803 N VAL A 106 3.514 1.672 -7.249 1.00 0.00 N ATOM 804 CA VAL A 106 2.386 2.531 -6.806 1.00 0.00 C ATOM 805 C VAL A 106 2.146 3.616 -7.859 1.00 0.00 C ATOM 806 O VAL A 106 1.021 3.938 -8.189 1.00 0.00 O ATOM 807 CB VAL A 106 2.747 3.178 -5.465 1.00 0.00 C ATOM 808 CG1 VAL A 106 1.646 4.140 -5.044 1.00 0.00 C ATOM 809 CG2 VAL A 106 2.887 2.100 -4.394 1.00 0.00 C ATOM 0 H VAL A 106 4.309 1.643 -6.611 1.00 0.00 H new ATOM 0 HA VAL A 106 1.482 1.935 -6.686 1.00 0.00 H new ATOM 0 HB VAL A 106 3.688 3.717 -5.577 1.00 0.00 H new ATOM 0 HG11 VAL A 106 1.908 4.597 -4.090 1.00 0.00 H new ATOM 0 HG12 VAL A 106 1.533 4.917 -5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 106 0.707 3.596 -4.940 1.00 0.00 H new ATOM 0 HG21 VAL A 106 3.144 2.564 -3.442 1.00 0.00 H new ATOM 0 HG22 VAL A 106 1.944 1.563 -4.293 1.00 0.00 H new ATOM 0 HG23 VAL A 106 3.673 1.402 -4.681 1.00 0.00 H new ATOM 810 N HIS A 107 3.198 4.179 -8.394 1.00 0.00 N ATOM 811 CA HIS A 107 3.034 5.237 -9.431 1.00 0.00 C ATOM 812 C HIS A 107 2.601 4.596 -10.752 1.00 0.00 C ATOM 813 O HIS A 107 2.121 5.262 -11.647 1.00 0.00 O ATOM 814 CB HIS A 107 4.366 5.961 -9.634 1.00 0.00 C ATOM 815 CG HIS A 107 4.542 6.996 -8.558 1.00 0.00 C ATOM 816 ND1 HIS A 107 5.734 7.680 -8.379 1.00 0.00 N ATOM 817 CD2 HIS A 107 3.687 7.474 -7.596 1.00 0.00 C ATOM 818 CE1 HIS A 107 5.566 8.524 -7.345 1.00 0.00 C ATOM 819 NE2 HIS A 107 4.335 8.439 -6.831 1.00 0.00 N ATOM 0 H HIS A 107 4.163 3.951 -8.157 1.00 0.00 H new ATOM 0 HA HIS A 107 2.276 5.949 -9.105 1.00 0.00 H new ATOM 0 HB2 HIS A 107 5.189 5.247 -9.605 1.00 0.00 H new ATOM 0 HB3 HIS A 107 4.389 6.434 -10.616 1.00 0.00 H new ATOM 0 HD1 HIS A 107 6.584 7.564 -8.931 1.00 0.00 H new ATOM 0 HD2 HIS A 107 2.666 7.150 -7.454 1.00 0.00 H new ATOM 0 HE1 HIS A 107 6.332 9.189 -6.975 1.00 0.00 H new ATOM 820 N GLU A 108 2.768 3.308 -10.883 1.00 0.00 N ATOM 821 CA GLU A 108 2.366 2.629 -12.147 1.00 0.00 C ATOM 822 C GLU A 108 1.011 1.947 -11.949 1.00 0.00 C ATOM 823 O GLU A 108 0.780 0.851 -12.420 1.00 0.00 O ATOM 824 CB GLU A 108 3.416 1.582 -12.522 1.00 0.00 C ATOM 825 CG GLU A 108 4.580 2.264 -13.244 1.00 0.00 C ATOM 826 CD GLU A 108 4.119 2.731 -14.626 1.00 0.00 C ATOM 827 OE1 GLU A 108 3.012 2.387 -15.007 1.00 0.00 O ATOM 828 OE2 GLU A 108 4.880 3.424 -15.280 1.00 0.00 O ATOM 0 H GLU A 108 3.165 2.697 -10.169 1.00 0.00 H new ATOM 0 HA GLU A 108 2.289 3.366 -12.947 1.00 0.00 H new ATOM 0 HB2 GLU A 108 3.776 1.075 -11.627 1.00 0.00 H new ATOM 0 HB3 GLU A 108 2.973 0.820 -13.163 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.936 3.114 -12.661 1.00 0.00 H new ATOM 0 HG3 GLU A 108 5.417 1.572 -13.342 1.00 0.00 H new ATOM 829 N ALA A 109 0.112 2.589 -11.254 1.00 0.00 N ATOM 830 CA ALA A 109 -1.227 1.980 -11.023 1.00 0.00 C ATOM 831 C ALA A 109 -2.121 2.240 -12.238 1.00 0.00 C ATOM 832 O ALA A 109 -3.042 3.030 -12.113 1.00 0.00 O ATOM 833 CB ALA A 109 -1.863 2.604 -9.779 1.00 0.00 C ATOM 834 OXT ALA A 109 -1.870 1.643 -13.272 1.00 0.00 O ATOM 0 H ALA A 109 0.248 3.510 -10.836 1.00 0.00 H new ATOM 0 HA ALA A 109 -1.118 0.906 -10.875 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -2.843 2.159 -9.609 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -1.226 2.420 -8.914 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -1.973 3.678 -9.927 1.00 0.00 H new