USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 82 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 17 MET CE :methyl -156:sc= -0.0485 (180deg=-0.478) USER MOD Set 1.2: A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 19 GLN : amide:sc= -7.56! K(o=-7.8!,f=-2.9) USER MOD Set 2.2: A 30 GLN : amide:sc= -0.0319 K(o=-7.8,f=-2.9) USER MOD Set 2.3: A 34 GLN : amide:sc= -0.227 K(o=-7.8,f=-2.9) USER MOD Single : A 5 SER OG : rot 180:sc= 0.115 USER MOD Single : A 9 LYS NZ :NH3+ -123:sc= 0.0311 (180deg=-1.01) USER MOD Single : A 10 LYS NZ :NH3+ 160:sc= -0.066 (180deg=-0.424) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 86:sc= 1.14 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.757 K(o=-0.76,f=-3!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.75 USER MOD Single : A 41 THR OG1 : rot -170:sc= -0.476 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 ASN : amide:sc= -0.0596 X(o=-0.06,f=0) USER MOD Single : A 56 CYS SG : rot 180:sc= 0.684 USER MOD ----------------------------------------------------------------- ATOM 28 N LEU A 4 3.783 5.364 0.357 1.00 0.00 N ATOM 29 CA LEU A 4 3.566 3.902 0.287 1.00 0.00 C ATOM 30 C LEU A 4 2.777 3.267 1.441 1.00 0.00 C ATOM 31 O LEU A 4 2.146 2.237 1.288 1.00 0.00 O ATOM 32 CB LEU A 4 4.914 3.191 0.319 1.00 0.00 C ATOM 33 CG LEU A 4 5.636 3.292 -1.029 1.00 0.00 C ATOM 34 CD1 LEU A 4 6.960 4.045 -0.854 1.00 0.00 C ATOM 35 CD2 LEU A 4 5.853 1.886 -1.580 1.00 0.00 C ATOM 0 HA LEU A 4 2.988 3.781 -0.629 1.00 0.00 H new ATOM 0 HB2 LEU A 4 5.537 3.626 1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 4 4.767 2.142 0.576 1.00 0.00 H new ATOM 0 HG LEU A 4 5.032 3.852 -1.743 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.469 4.114 -1.815 1.00 0.00 H new ATOM 0 HD12 LEU A 4 6.761 5.048 -0.476 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.592 3.509 -0.146 1.00 0.00 H new ATOM 0 HD21 LEU A 4 6.366 1.947 -2.540 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.459 1.310 -0.880 1.00 0.00 H new ATOM 0 HD23 LEU A 4 4.889 1.395 -1.714 1.00 0.00 H new ATOM 37 N SER A 5 2.937 3.858 2.621 1.00 0.00 N ATOM 38 CA SER A 5 2.502 3.257 3.892 1.00 0.00 C ATOM 39 C SER A 5 1.247 3.921 4.466 1.00 0.00 C ATOM 40 O SER A 5 0.161 3.350 4.473 1.00 0.00 O ATOM 41 CB SER A 5 3.695 3.354 4.845 1.00 0.00 C ATOM 42 OG SER A 5 4.215 4.695 4.943 1.00 0.00 O ATOM 0 H SER A 5 3.374 4.773 2.730 1.00 0.00 H new ATOM 0 HA SER A 5 2.209 2.219 3.738 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.394 3.011 5.835 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.485 2.685 4.503 1.00 0.00 H new ATOM 0 HG SER A 5 4.974 4.707 5.563 1.00 0.00 H new ATOM 45 N GLU A 6 1.436 5.200 4.752 1.00 0.00 N ATOM 46 CA GLU A 6 0.429 6.116 5.333 1.00 0.00 C ATOM 47 C GLU A 6 -0.819 6.236 4.457 1.00 0.00 C ATOM 48 O GLU A 6 -1.896 5.799 4.847 1.00 0.00 O ATOM 49 CB GLU A 6 1.111 7.466 5.491 1.00 0.00 C ATOM 50 CG GLU A 6 1.879 7.551 6.812 1.00 0.00 C ATOM 51 CD GLU A 6 2.847 8.737 6.765 1.00 0.00 C ATOM 52 OE1 GLU A 6 3.929 8.537 6.166 1.00 0.00 O ATOM 53 OE2 GLU A 6 2.457 9.822 7.252 1.00 0.00 O ATOM 0 H GLU A 6 2.330 5.662 4.583 1.00 0.00 H new ATOM 0 HA GLU A 6 0.081 5.730 6.291 1.00 0.00 H new ATOM 0 HB2 GLU A 6 1.796 7.629 4.659 1.00 0.00 H new ATOM 0 HB3 GLU A 6 0.365 8.260 5.450 1.00 0.00 H new ATOM 0 HG2 GLU A 6 1.183 7.669 7.643 1.00 0.00 H new ATOM 0 HG3 GLU A 6 2.429 6.626 6.985 1.00 0.00 H new ATOM 55 N ARG A 7 -0.569 6.544 3.178 1.00 0.00 N ATOM 56 CA ARG A 7 -1.625 6.751 2.193 1.00 0.00 C ATOM 57 C ARG A 7 -2.357 5.441 1.867 1.00 0.00 C ATOM 58 O ARG A 7 -3.593 5.374 1.929 1.00 0.00 O ATOM 59 CB ARG A 7 -0.993 7.415 0.960 1.00 0.00 C ATOM 60 CG ARG A 7 -1.930 7.521 -0.245 1.00 0.00 C ATOM 61 CD ARG A 7 -1.219 8.167 -1.435 1.00 0.00 C ATOM 62 NE ARG A 7 -1.165 9.633 -1.307 1.00 0.00 N ATOM 63 CZ ARG A 7 -2.176 10.487 -1.540 1.00 0.00 C ATOM 64 NH1 ARG A 7 -3.393 10.080 -1.853 1.00 0.00 N ATOM 65 NH2 ARG A 7 -1.984 11.778 -1.355 1.00 0.00 N ATOM 0 H ARG A 7 0.373 6.655 2.802 1.00 0.00 H new ATOM 0 HA ARG A 7 -2.396 7.410 2.591 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -0.656 8.415 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -0.108 6.848 0.669 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -2.285 6.529 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -2.808 8.110 0.022 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -0.206 7.771 -1.513 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -1.737 7.901 -2.356 1.00 0.00 H new ATOM 0 HE ARG A 7 -0.276 10.039 -1.014 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -3.594 9.083 -1.926 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -4.132 10.763 -2.022 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -1.076 12.118 -1.039 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -2.743 12.437 -1.528 1.00 0.00 H new ATOM 68 N LEU A 8 -1.569 4.375 1.697 1.00 0.00 N ATOM 69 CA LEU A 8 -2.080 3.013 1.471 1.00 0.00 C ATOM 70 C LEU A 8 -3.049 2.499 2.541 1.00 0.00 C ATOM 71 O LEU A 8 -4.150 2.083 2.193 1.00 0.00 O ATOM 72 CB LEU A 8 -0.887 2.071 1.324 1.00 0.00 C ATOM 73 CG LEU A 8 -0.866 1.524 -0.099 1.00 0.00 C ATOM 74 CD1 LEU A 8 -0.355 2.590 -1.070 1.00 0.00 C ATOM 75 CD2 LEU A 8 0.032 0.280 -0.193 1.00 0.00 C ATOM 0 H LEU A 8 -0.551 4.430 1.712 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.678 3.046 0.560 1.00 0.00 H new ATOM 0 HB2 LEU A 8 0.041 2.601 1.538 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -0.961 1.254 2.042 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.886 1.246 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.345 2.186 -2.082 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.011 3.460 -1.033 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.656 2.885 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 8 0.031 -0.093 -1.217 1.00 0.00 H new ATOM 0 HD22 LEU A 8 1.049 0.543 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.347 -0.494 0.475 1.00 0.00 H new ATOM 77 N LYS A 9 -2.708 2.711 3.820 1.00 0.00 N ATOM 78 CA LYS A 9 -3.612 2.369 4.948 1.00 0.00 C ATOM 79 C LYS A 9 -5.022 2.969 4.769 1.00 0.00 C ATOM 80 O LYS A 9 -6.017 2.246 4.743 1.00 0.00 O ATOM 81 CB LYS A 9 -3.087 2.868 6.293 1.00 0.00 C ATOM 82 CG LYS A 9 -1.834 2.138 6.781 1.00 0.00 C ATOM 83 CD LYS A 9 -1.475 2.679 8.167 1.00 0.00 C ATOM 84 CE LYS A 9 -0.025 2.394 8.527 1.00 0.00 C ATOM 85 NZ LYS A 9 0.857 3.190 7.656 1.00 0.00 N ATOM 0 H LYS A 9 -1.817 3.116 4.108 1.00 0.00 H new ATOM 0 HA LYS A 9 -3.656 1.280 4.942 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -2.867 3.933 6.213 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -3.873 2.760 7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -2.013 1.064 6.827 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -1.008 2.294 6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -1.652 3.754 8.194 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.130 2.229 8.913 1.00 0.00 H new ATOM 0 HE2 LYS A 9 0.158 2.641 9.573 1.00 0.00 H new ATOM 0 HE3 LYS A 9 0.189 1.332 8.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 1.507 2.557 7.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.282 3.718 6.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 1.406 3.858 8.235 1.00 0.00 H new ATOM 90 N LYS A 10 -5.036 4.271 4.522 1.00 0.00 N ATOM 91 CA LYS A 10 -6.269 5.059 4.283 1.00 0.00 C ATOM 92 C LYS A 10 -7.067 4.563 3.065 1.00 0.00 C ATOM 93 O LYS A 10 -8.273 4.344 3.155 1.00 0.00 O ATOM 94 CB LYS A 10 -5.857 6.527 4.126 1.00 0.00 C ATOM 95 CG LYS A 10 -7.049 7.489 4.167 1.00 0.00 C ATOM 96 CD LYS A 10 -7.719 7.484 5.546 1.00 0.00 C ATOM 97 CE LYS A 10 -9.044 8.243 5.536 1.00 0.00 C ATOM 98 NZ LYS A 10 -10.026 7.538 4.694 1.00 0.00 N ATOM 0 H LYS A 10 -4.185 4.832 4.478 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.942 4.939 5.132 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.157 6.790 4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.328 6.652 3.181 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.714 8.498 3.926 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.776 7.205 3.406 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.892 6.455 5.862 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -7.048 7.934 6.278 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.426 8.337 6.553 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.890 9.254 5.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -10.986 7.846 4.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.846 7.757 3.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.940 6.513 4.845 1.00 0.00 H new ATOM 103 N ARG A 11 -6.375 4.345 1.953 1.00 0.00 N ATOM 104 CA ARG A 11 -6.985 3.847 0.710 1.00 0.00 C ATOM 105 C ARG A 11 -7.582 2.426 0.803 1.00 0.00 C ATOM 106 O ARG A 11 -8.627 2.160 0.210 1.00 0.00 O ATOM 107 CB ARG A 11 -5.953 3.964 -0.423 1.00 0.00 C ATOM 108 CG ARG A 11 -6.498 3.589 -1.801 1.00 0.00 C ATOM 109 CD ARG A 11 -7.463 4.626 -2.383 1.00 0.00 C ATOM 110 NE ARG A 11 -7.899 4.096 -3.689 1.00 0.00 N ATOM 111 CZ ARG A 11 -8.122 4.764 -4.817 1.00 0.00 C ATOM 112 NH1 ARG A 11 -7.844 6.052 -4.964 1.00 0.00 N ATOM 113 NH2 ARG A 11 -8.581 4.089 -5.861 1.00 0.00 N ATOM 0 H ARG A 11 -5.371 4.507 1.880 1.00 0.00 H new ATOM 0 HA ARG A 11 -7.852 4.474 0.502 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.581 4.988 -0.457 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.102 3.323 -0.193 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -5.663 3.456 -2.489 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -7.009 2.629 -1.731 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -8.315 4.779 -1.721 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.972 5.592 -2.499 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.049 3.088 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.439 6.578 -4.190 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.035 6.517 -5.852 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -8.753 3.086 -5.785 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.762 4.572 -6.741 1.00 0.00 H new ATOM 116 N ARG A 12 -6.926 1.562 1.573 1.00 0.00 N ATOM 117 CA ARG A 12 -7.490 0.245 1.940 1.00 0.00 C ATOM 118 C ARG A 12 -8.875 0.378 2.599 1.00 0.00 C ATOM 119 O ARG A 12 -9.842 -0.205 2.108 1.00 0.00 O ATOM 120 CB ARG A 12 -6.571 -0.496 2.910 1.00 0.00 C ATOM 121 CG ARG A 12 -5.353 -1.081 2.200 1.00 0.00 C ATOM 122 CD ARG A 12 -4.309 -1.460 3.262 1.00 0.00 C ATOM 123 NE ARG A 12 -3.021 -1.737 2.603 1.00 0.00 N ATOM 124 CZ ARG A 12 -1.810 -1.486 3.094 1.00 0.00 C ATOM 125 NH1 ARG A 12 -1.626 -0.931 4.288 1.00 0.00 N ATOM 126 NH2 ARG A 12 -0.747 -1.770 2.358 1.00 0.00 N ATOM 0 H ARG A 12 -6.000 1.741 1.961 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.585 -0.316 1.010 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.242 0.187 3.693 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.127 -1.297 3.398 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.638 -1.958 1.618 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.937 -0.356 1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -4.195 -0.649 3.982 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -4.641 -2.336 3.819 1.00 0.00 H new ATOM 0 HE ARG A 12 -3.062 -2.164 1.678 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.430 -0.681 4.864 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -0.681 -0.755 4.628 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.863 -2.175 1.429 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.188 -1.584 2.720 1.00 0.00 H new ATOM 129 N ILE A 13 -8.995 1.331 3.515 1.00 0.00 N ATOM 130 CA ILE A 13 -10.283 1.656 4.186 1.00 0.00 C ATOM 131 C ILE A 13 -11.299 2.163 3.134 1.00 0.00 C ATOM 132 O ILE A 13 -12.379 1.595 2.996 1.00 0.00 O ATOM 133 CB ILE A 13 -10.090 2.719 5.291 1.00 0.00 C ATOM 134 CG1 ILE A 13 -8.994 2.304 6.297 1.00 0.00 C ATOM 135 CG2 ILE A 13 -11.413 2.943 6.036 1.00 0.00 C ATOM 136 CD1 ILE A 13 -8.497 3.461 7.180 1.00 0.00 C ATOM 0 H ILE A 13 -8.214 1.909 3.825 1.00 0.00 H new ATOM 0 HA ILE A 13 -10.663 0.750 4.658 1.00 0.00 H new ATOM 0 HB ILE A 13 -9.773 3.644 4.810 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -9.381 1.511 6.936 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -8.149 1.888 5.749 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -11.270 3.693 6.814 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -12.172 3.288 5.334 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.738 2.007 6.490 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.729 3.095 7.861 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.079 4.246 6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -9.331 3.863 7.756 1.00 0.00 H new ATOM 138 N ALA A 14 -10.872 3.181 2.381 1.00 0.00 N ATOM 139 CA ALA A 14 -11.680 3.820 1.323 1.00 0.00 C ATOM 140 C ALA A 14 -12.271 2.858 0.283 1.00 0.00 C ATOM 141 O ALA A 14 -13.384 3.063 -0.202 1.00 0.00 O ATOM 142 CB ALA A 14 -10.828 4.894 0.633 1.00 0.00 C ATOM 0 H ALA A 14 -9.945 3.594 2.486 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.547 4.255 1.820 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.413 5.374 -0.151 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -10.521 5.641 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.944 4.431 0.194 1.00 0.00 H new ATOM 144 N LEU A 15 -11.524 1.791 -0.011 1.00 0.00 N ATOM 145 CA LEU A 15 -11.928 0.710 -0.930 1.00 0.00 C ATOM 146 C LEU A 15 -12.554 -0.529 -0.255 1.00 0.00 C ATOM 147 O LEU A 15 -12.808 -1.536 -0.932 1.00 0.00 O ATOM 148 CB LEU A 15 -10.701 0.266 -1.741 1.00 0.00 C ATOM 149 CG LEU A 15 -10.298 1.265 -2.824 1.00 0.00 C ATOM 150 CD1 LEU A 15 -8.926 0.890 -3.364 1.00 0.00 C ATOM 151 CD2 LEU A 15 -11.314 1.305 -3.965 1.00 0.00 C ATOM 0 H LEU A 15 -10.598 1.646 0.390 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.713 1.133 -1.557 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.861 0.117 -1.063 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -10.910 -0.698 -2.205 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.268 2.259 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -8.633 1.600 -4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.197 0.915 -2.554 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.964 -0.114 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.991 2.027 -4.715 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.388 0.318 -4.421 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.288 1.598 -3.574 1.00 0.00 H new ATOM 153 N LYS A 16 -12.846 -0.434 1.041 1.00 0.00 N ATOM 154 CA LYS A 16 -13.335 -1.551 1.894 1.00 0.00 C ATOM 155 C LYS A 16 -12.469 -2.815 1.846 1.00 0.00 C ATOM 156 O LYS A 16 -12.918 -3.939 2.092 1.00 0.00 O ATOM 157 CB LYS A 16 -14.798 -1.875 1.575 1.00 0.00 C ATOM 158 CG LYS A 16 -15.721 -0.814 2.144 1.00 0.00 C ATOM 159 CD LYS A 16 -16.754 -0.470 1.084 1.00 0.00 C ATOM 160 CE LYS A 16 -16.634 1.006 0.704 1.00 0.00 C ATOM 161 NZ LYS A 16 -17.514 1.220 -0.441 1.00 0.00 N ATOM 0 H LYS A 16 -12.751 0.442 1.555 1.00 0.00 H new ATOM 0 HA LYS A 16 -13.257 -1.191 2.920 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -14.934 -1.940 0.495 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -15.058 -2.849 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -16.210 -1.179 3.047 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -15.154 0.073 2.425 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -16.607 -1.095 0.203 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -17.756 -0.678 1.459 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -16.923 1.645 1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -15.604 1.258 0.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -17.464 2.216 -0.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -17.213 0.611 -1.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -18.492 0.986 -0.176 1.00 0.00 H new ATOM 166 N MET A 17 -11.174 -2.566 1.810 1.00 0.00 N ATOM 167 CA MET A 17 -10.154 -3.586 1.582 1.00 0.00 C ATOM 168 C MET A 17 -9.306 -3.798 2.834 1.00 0.00 C ATOM 169 O MET A 17 -8.840 -2.872 3.494 1.00 0.00 O ATOM 170 CB MET A 17 -9.304 -3.160 0.394 1.00 0.00 C ATOM 171 CG MET A 17 -8.590 -4.358 -0.241 1.00 0.00 C ATOM 172 SD MET A 17 -7.886 -3.980 -1.887 1.00 0.00 S ATOM 173 CE MET A 17 -9.375 -3.788 -2.850 1.00 0.00 C ATOM 0 H MET A 17 -10.788 -1.631 1.941 1.00 0.00 H new ATOM 0 HA MET A 17 -10.627 -4.542 1.360 1.00 0.00 H new ATOM 0 HB2 MET A 17 -9.934 -2.674 -0.351 1.00 0.00 H new ATOM 0 HB3 MET A 17 -8.567 -2.425 0.717 1.00 0.00 H new ATOM 0 HG2 MET A 17 -7.791 -4.691 0.422 1.00 0.00 H new ATOM 0 HG3 MET A 17 -9.293 -5.186 -0.334 1.00 0.00 H new ATOM 0 HE1 MET A 17 -9.156 -3.979 -3.901 1.00 0.00 H new ATOM 0 HE2 MET A 17 -10.127 -4.496 -2.502 1.00 0.00 H new ATOM 0 HE3 MET A 17 -9.753 -2.772 -2.737 1.00 0.00 H new ATOM 175 N THR A 18 -9.082 -5.090 3.068 1.00 0.00 N ATOM 176 CA THR A 18 -8.168 -5.562 4.120 1.00 0.00 C ATOM 177 C THR A 18 -6.885 -6.080 3.449 1.00 0.00 C ATOM 178 O THR A 18 -6.894 -6.501 2.291 1.00 0.00 O ATOM 179 CB THR A 18 -8.844 -6.608 5.020 1.00 0.00 C ATOM 180 OG1 THR A 18 -7.903 -7.058 5.998 1.00 0.00 O ATOM 181 CG2 THR A 18 -9.469 -7.797 4.271 1.00 0.00 C ATOM 0 H THR A 18 -9.525 -5.841 2.539 1.00 0.00 H new ATOM 0 HA THR A 18 -7.901 -4.742 4.786 1.00 0.00 H new ATOM 0 HB THR A 18 -9.689 -6.110 5.495 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.327 -7.725 6.578 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.922 -8.482 4.988 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.233 -7.433 3.584 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.695 -8.320 3.709 1.00 0.00 H new ATOM 184 N GLN A 19 -5.773 -5.977 4.164 1.00 0.00 N ATOM 185 CA GLN A 19 -4.455 -6.336 3.607 1.00 0.00 C ATOM 186 C GLN A 19 -4.337 -7.746 3.008 1.00 0.00 C ATOM 187 O GLN A 19 -3.729 -7.907 1.953 1.00 0.00 O ATOM 188 CB GLN A 19 -3.363 -6.156 4.637 1.00 0.00 C ATOM 189 CG GLN A 19 -2.438 -5.082 4.079 1.00 0.00 C ATOM 190 CD GLN A 19 -1.142 -4.915 4.871 1.00 0.00 C ATOM 191 OE1 GLN A 19 -0.717 -5.748 5.663 1.00 0.00 O ATOM 192 NE2 GLN A 19 -0.499 -3.803 4.633 1.00 0.00 N ATOM 0 H GLN A 19 -5.746 -5.650 5.130 1.00 0.00 H new ATOM 0 HA GLN A 19 -4.337 -5.644 2.773 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.778 -5.853 5.598 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.824 -7.089 4.802 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -2.193 -5.327 3.046 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -2.969 -4.130 4.063 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -0.877 -3.128 3.968 1.00 0.00 H new ATOM 0 HE22 GLN A 19 0.381 -3.610 5.112 1.00 0.00 H new ATOM 194 N THR A 20 -4.853 -8.746 3.720 1.00 0.00 N ATOM 195 CA THR A 20 -4.949 -10.130 3.182 1.00 0.00 C ATOM 196 C THR A 20 -5.655 -10.230 1.812 1.00 0.00 C ATOM 197 O THR A 20 -5.121 -10.842 0.885 1.00 0.00 O ATOM 198 CB THR A 20 -5.585 -11.092 4.215 1.00 0.00 C ATOM 199 OG1 THR A 20 -5.586 -12.401 3.655 1.00 0.00 O ATOM 200 CG2 THR A 20 -6.995 -10.699 4.655 1.00 0.00 C ATOM 0 H THR A 20 -5.214 -8.640 4.668 1.00 0.00 H new ATOM 0 HA THR A 20 -3.921 -10.442 3.001 1.00 0.00 H new ATOM 0 HB THR A 20 -4.983 -11.044 5.123 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.984 -13.030 4.293 1.00 0.00 H new ATOM 0 HG21 THR A 20 -7.366 -11.425 5.378 1.00 0.00 H new ATOM 0 HG22 THR A 20 -6.971 -9.710 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 20 -7.655 -10.681 3.788 1.00 0.00 H new ATOM 203 N GLU A 21 -6.675 -9.391 1.643 1.00 0.00 N ATOM 204 CA GLU A 21 -7.422 -9.254 0.373 1.00 0.00 C ATOM 205 C GLU A 21 -6.488 -8.716 -0.724 1.00 0.00 C ATOM 206 O GLU A 21 -6.237 -9.395 -1.711 1.00 0.00 O ATOM 207 CB GLU A 21 -8.601 -8.301 0.547 1.00 0.00 C ATOM 208 CG GLU A 21 -9.865 -8.823 -0.131 1.00 0.00 C ATOM 209 CD GLU A 21 -11.006 -7.791 -0.077 1.00 0.00 C ATOM 210 OE1 GLU A 21 -11.223 -7.245 1.026 1.00 0.00 O ATOM 211 OE2 GLU A 21 -11.582 -7.552 -1.156 1.00 0.00 O ATOM 0 H GLU A 21 -7.017 -8.778 2.383 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.800 -10.235 0.085 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -8.794 -8.154 1.610 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -8.343 -7.327 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -9.646 -9.069 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -10.185 -9.745 0.355 1.00 0.00 H new ATOM 213 N LEU A 22 -5.774 -7.644 -0.372 1.00 0.00 N ATOM 214 CA LEU A 22 -4.774 -6.983 -1.228 1.00 0.00 C ATOM 215 C LEU A 22 -3.612 -7.918 -1.621 1.00 0.00 C ATOM 216 O LEU A 22 -3.289 -8.027 -2.794 1.00 0.00 O ATOM 217 CB LEU A 22 -4.294 -5.759 -0.435 1.00 0.00 C ATOM 218 CG LEU A 22 -3.160 -4.971 -1.076 1.00 0.00 C ATOM 219 CD1 LEU A 22 -3.553 -4.405 -2.446 1.00 0.00 C ATOM 220 CD2 LEU A 22 -2.773 -3.810 -0.180 1.00 0.00 C ATOM 0 H LEU A 22 -5.875 -7.197 0.539 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.212 -6.691 -2.182 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.141 -5.089 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.971 -6.090 0.552 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.326 -5.661 -1.208 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.713 -3.851 -2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.818 -5.223 -3.115 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.408 -3.738 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.961 -3.249 -0.642 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.633 -3.155 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.446 -4.190 0.788 1.00 0.00 H new ATOM 222 N ALA A 23 -3.126 -8.667 -0.635 1.00 0.00 N ATOM 223 CA ALA A 23 -2.064 -9.688 -0.790 1.00 0.00 C ATOM 224 C ALA A 23 -2.442 -10.786 -1.803 1.00 0.00 C ATOM 225 O ALA A 23 -1.753 -10.953 -2.800 1.00 0.00 O ATOM 226 CB ALA A 23 -1.782 -10.285 0.581 1.00 0.00 C ATOM 0 H ALA A 23 -3.461 -8.587 0.325 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.170 -9.210 -1.191 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.002 -11.041 0.495 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -1.452 -9.498 1.259 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -2.690 -10.743 0.972 1.00 0.00 H new ATOM 228 N THR A 24 -3.613 -11.383 -1.582 1.00 0.00 N ATOM 229 CA THR A 24 -4.269 -12.370 -2.476 1.00 0.00 C ATOM 230 C THR A 24 -4.348 -11.834 -3.918 1.00 0.00 C ATOM 231 O THR A 24 -3.806 -12.423 -4.851 1.00 0.00 O ATOM 232 CB THR A 24 -5.676 -12.647 -1.910 1.00 0.00 C ATOM 233 OG1 THR A 24 -5.595 -13.081 -0.551 1.00 0.00 O ATOM 234 CG2 THR A 24 -6.453 -13.671 -2.744 1.00 0.00 C ATOM 0 H THR A 24 -4.163 -11.193 -0.744 1.00 0.00 H new ATOM 0 HA THR A 24 -3.691 -13.293 -2.513 1.00 0.00 H new ATOM 0 HB THR A 24 -6.225 -11.706 -1.957 1.00 0.00 H new ATOM 0 HG1 THR A 24 -5.565 -12.300 0.041 1.00 0.00 H new ATOM 0 HG21 THR A 24 -7.437 -13.829 -2.302 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.568 -13.299 -3.762 1.00 0.00 H new ATOM 0 HG23 THR A 24 -5.907 -14.614 -2.762 1.00 0.00 H new ATOM 237 N LYS A 25 -4.916 -10.631 -4.044 1.00 0.00 N ATOM 238 CA LYS A 25 -5.128 -9.956 -5.346 1.00 0.00 C ATOM 239 C LYS A 25 -3.833 -9.569 -6.074 1.00 0.00 C ATOM 240 O LYS A 25 -3.764 -9.619 -7.298 1.00 0.00 O ATOM 241 CB LYS A 25 -6.004 -8.726 -5.127 1.00 0.00 C ATOM 242 CG LYS A 25 -7.463 -9.129 -4.892 1.00 0.00 C ATOM 243 CD LYS A 25 -8.315 -7.874 -4.761 1.00 0.00 C ATOM 244 CE LYS A 25 -9.761 -8.208 -4.440 1.00 0.00 C ATOM 245 NZ LYS A 25 -10.497 -6.941 -4.401 1.00 0.00 N ATOM 0 H LYS A 25 -5.247 -10.088 -3.246 1.00 0.00 H new ATOM 0 HA LYS A 25 -5.620 -10.675 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.636 -8.160 -4.271 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -5.939 -8.069 -5.994 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -7.821 -9.741 -5.720 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.545 -9.734 -3.989 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -7.906 -7.237 -3.977 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.270 -7.305 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -10.179 -8.874 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -9.834 -8.725 -3.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -11.497 -7.127 -4.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -10.091 -6.326 -3.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -10.426 -6.470 -5.325 1.00 0.00 H new ATOM 250 N ALA A 26 -2.868 -9.068 -5.310 1.00 0.00 N ATOM 251 CA ALA A 26 -1.493 -8.784 -5.761 1.00 0.00 C ATOM 252 C ALA A 26 -0.593 -10.037 -5.965 1.00 0.00 C ATOM 253 O ALA A 26 0.581 -9.902 -6.319 1.00 0.00 O ATOM 254 CB ALA A 26 -0.821 -7.814 -4.778 1.00 0.00 C ATOM 0 H ALA A 26 -3.017 -8.838 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 26 -1.594 -8.339 -6.751 1.00 0.00 H new ATOM 0 HB1 ALA A 26 0.195 -7.604 -5.111 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -1.389 -6.885 -4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -0.792 -8.264 -3.786 1.00 0.00 H new ATOM 256 N GLY A 27 -1.140 -11.220 -5.709 1.00 0.00 N ATOM 257 CA GLY A 27 -0.470 -12.534 -5.844 1.00 0.00 C ATOM 258 C GLY A 27 0.681 -12.797 -4.852 1.00 0.00 C ATOM 259 O GLY A 27 1.555 -13.622 -5.126 1.00 0.00 O ATOM 0 H GLY A 27 -2.104 -11.307 -5.387 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -1.218 -13.318 -5.722 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -0.080 -12.621 -6.858 1.00 0.00 H new ATOM 261 N VAL A 28 0.578 -12.217 -3.664 1.00 0.00 N ATOM 262 CA VAL A 28 1.628 -12.239 -2.620 1.00 0.00 C ATOM 263 C VAL A 28 1.085 -12.531 -1.209 1.00 0.00 C ATOM 264 O VAL A 28 -0.109 -12.645 -0.973 1.00 0.00 O ATOM 265 CB VAL A 28 2.465 -10.951 -2.640 1.00 0.00 C ATOM 266 CG1 VAL A 28 3.620 -11.062 -3.632 1.00 0.00 C ATOM 267 CG2 VAL A 28 1.680 -9.651 -2.827 1.00 0.00 C ATOM 0 H VAL A 28 -0.255 -11.701 -3.379 1.00 0.00 H new ATOM 0 HA VAL A 28 2.280 -13.076 -2.870 1.00 0.00 H new ATOM 0 HB VAL A 28 2.866 -10.869 -1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 28 4.196 -10.136 -3.625 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.266 -11.893 -3.347 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.225 -11.236 -4.633 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.369 -8.806 -2.826 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.146 -9.682 -3.777 1.00 0.00 H new ATOM 0 HG23 VAL A 28 0.965 -9.537 -2.012 1.00 0.00 H new ATOM 269 N LYS A 29 2.025 -12.521 -0.266 1.00 0.00 N ATOM 270 CA LYS A 29 1.746 -12.788 1.153 1.00 0.00 C ATOM 271 C LYS A 29 1.325 -11.516 1.854 1.00 0.00 C ATOM 272 O LYS A 29 1.760 -10.410 1.521 1.00 0.00 O ATOM 273 CB LYS A 29 3.017 -13.301 1.850 1.00 0.00 C ATOM 274 CG LYS A 29 3.434 -14.710 1.401 1.00 0.00 C ATOM 275 CD LYS A 29 2.415 -15.762 1.826 1.00 0.00 C ATOM 276 CE LYS A 29 3.016 -17.148 1.629 1.00 0.00 C ATOM 277 NZ LYS A 29 2.080 -18.159 2.138 1.00 0.00 N ATOM 0 H LYS A 29 3.007 -12.327 -0.460 1.00 0.00 H new ATOM 0 HA LYS A 29 0.950 -13.531 1.205 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.835 -12.608 1.653 1.00 0.00 H new ATOM 0 HB3 LYS A 29 2.855 -13.305 2.928 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.545 -14.728 0.317 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.408 -14.954 1.826 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.139 -15.617 2.870 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.503 -15.661 1.238 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.219 -17.322 0.572 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.969 -17.222 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.487 -19.107 2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.908 -17.995 3.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.181 -18.092 1.619 1.00 0.00 H new ATOM 282 N GLN A 30 0.558 -11.706 2.918 1.00 0.00 N ATOM 283 CA GLN A 30 0.175 -10.563 3.756 1.00 0.00 C ATOM 284 C GLN A 30 1.390 -9.834 4.366 1.00 0.00 C ATOM 285 O GLN A 30 1.531 -8.628 4.175 1.00 0.00 O ATOM 286 CB GLN A 30 -0.792 -10.988 4.857 1.00 0.00 C ATOM 287 CG GLN A 30 -1.656 -9.766 5.145 1.00 0.00 C ATOM 288 CD GLN A 30 -1.817 -9.543 6.643 1.00 0.00 C ATOM 289 OE1 GLN A 30 -2.230 -10.411 7.388 1.00 0.00 O ATOM 290 NE2 GLN A 30 -1.465 -8.366 7.091 1.00 0.00 N ATOM 0 H GLN A 30 0.194 -12.609 3.221 1.00 0.00 H new ATOM 0 HA GLN A 30 -0.327 -9.856 3.095 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.403 -11.832 4.537 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -0.253 -11.305 5.750 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -1.205 -8.884 4.690 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -2.637 -9.895 4.687 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.122 -7.656 6.444 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.534 -8.158 8.087 1.00 0.00 H new ATOM 292 N GLN A 31 2.345 -10.621 4.877 1.00 0.00 N ATOM 293 CA GLN A 31 3.647 -10.159 5.405 1.00 0.00 C ATOM 294 C GLN A 31 4.440 -9.262 4.453 1.00 0.00 C ATOM 295 O GLN A 31 4.949 -8.219 4.844 1.00 0.00 O ATOM 296 CB GLN A 31 4.512 -11.367 5.790 1.00 0.00 C ATOM 297 CG GLN A 31 4.062 -12.097 7.062 1.00 0.00 C ATOM 298 CD GLN A 31 2.634 -12.647 6.972 1.00 0.00 C ATOM 299 OE1 GLN A 31 2.217 -13.266 6.006 1.00 0.00 O ATOM 300 NE2 GLN A 31 1.774 -12.170 7.861 1.00 0.00 N ATOM 0 H GLN A 31 2.234 -11.633 4.939 1.00 0.00 H new ATOM 0 HA GLN A 31 3.406 -9.547 6.274 1.00 0.00 H new ATOM 0 HB2 GLN A 31 4.512 -12.075 4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 31 5.541 -11.032 5.924 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.749 -12.919 7.263 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.128 -11.413 7.908 1.00 0.00 H new ATOM 0 HE21 GLN A 31 2.113 -11.652 8.671 1.00 0.00 H new ATOM 0 HE22 GLN A 31 0.773 -12.321 7.735 1.00 0.00 H new ATOM 302 N SER A 32 4.387 -9.612 3.166 1.00 0.00 N ATOM 303 CA SER A 32 5.018 -8.857 2.066 1.00 0.00 C ATOM 304 C SER A 32 4.431 -7.446 1.931 1.00 0.00 C ATOM 305 O SER A 32 5.162 -6.456 1.946 1.00 0.00 O ATOM 306 CB SER A 32 4.805 -9.649 0.771 1.00 0.00 C ATOM 307 OG SER A 32 5.270 -10.992 0.921 1.00 0.00 O ATOM 0 H SER A 32 3.895 -10.446 2.846 1.00 0.00 H new ATOM 0 HA SER A 32 6.081 -8.735 2.276 1.00 0.00 H new ATOM 0 HB2 SER A 32 3.747 -9.652 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 32 5.334 -9.164 -0.049 1.00 0.00 H new ATOM 0 HG SER A 32 5.125 -11.484 0.086 1.00 0.00 H new ATOM 310 N ILE A 33 3.105 -7.369 1.967 1.00 0.00 N ATOM 311 CA ILE A 33 2.359 -6.088 1.945 1.00 0.00 C ATOM 312 C ILE A 33 2.506 -5.299 3.266 1.00 0.00 C ATOM 313 O ILE A 33 2.476 -4.069 3.273 1.00 0.00 O ATOM 314 CB ILE A 33 0.878 -6.351 1.593 1.00 0.00 C ATOM 315 CG1 ILE A 33 0.705 -7.219 0.341 1.00 0.00 C ATOM 316 CG2 ILE A 33 0.075 -5.047 1.483 1.00 0.00 C ATOM 317 CD1 ILE A 33 1.277 -6.662 -0.966 1.00 0.00 C ATOM 0 H ILE A 33 2.502 -8.190 2.013 1.00 0.00 H new ATOM 0 HA ILE A 33 2.794 -5.456 1.171 1.00 0.00 H new ATOM 0 HB ILE A 33 0.471 -6.923 2.426 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.170 -8.187 0.531 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.360 -7.400 0.197 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.961 -5.277 1.234 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.110 -4.517 2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.505 -4.420 0.702 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.090 -7.368 -1.775 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.797 -5.711 -1.197 1.00 0.00 H new ATOM 0 HD13 ILE A 33 2.351 -6.510 -0.858 1.00 0.00 H new ATOM 319 N GLN A 34 2.669 -6.004 4.392 1.00 0.00 N ATOM 320 CA GLN A 34 2.909 -5.348 5.703 1.00 0.00 C ATOM 321 C GLN A 34 4.171 -4.492 5.712 1.00 0.00 C ATOM 322 O GLN A 34 4.141 -3.406 6.289 1.00 0.00 O ATOM 323 CB GLN A 34 3.049 -6.309 6.884 1.00 0.00 C ATOM 324 CG GLN A 34 1.869 -7.276 6.978 1.00 0.00 C ATOM 325 CD GLN A 34 1.160 -7.199 8.322 1.00 0.00 C ATOM 326 OE1 GLN A 34 1.304 -8.045 9.191 1.00 0.00 O ATOM 327 NE2 GLN A 34 0.208 -6.300 8.445 1.00 0.00 N ATOM 0 H GLN A 34 2.641 -7.023 4.432 1.00 0.00 H new ATOM 0 HA GLN A 34 2.010 -4.744 5.827 1.00 0.00 H new ATOM 0 HB2 GLN A 34 3.975 -6.875 6.783 1.00 0.00 H new ATOM 0 HB3 GLN A 34 3.124 -5.738 7.809 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.158 -7.055 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.223 -8.294 6.815 1.00 0.00 H new ATOM 0 HE21 GLN A 34 0.081 -5.590 7.724 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.403 -6.313 9.262 1.00 0.00 H new ATOM 329 N LEU A 35 5.231 -4.936 5.053 1.00 0.00 N ATOM 330 CA LEU A 35 6.494 -4.171 4.929 1.00 0.00 C ATOM 331 C LEU A 35 6.344 -2.792 4.252 1.00 0.00 C ATOM 332 O LEU A 35 7.101 -1.860 4.530 1.00 0.00 O ATOM 333 CB LEU A 35 7.525 -5.068 4.252 1.00 0.00 C ATOM 334 CG LEU A 35 7.944 -6.127 5.265 1.00 0.00 C ATOM 335 CD1 LEU A 35 8.514 -7.347 4.551 1.00 0.00 C ATOM 336 CD2 LEU A 35 8.914 -5.559 6.310 1.00 0.00 C ATOM 0 H LEU A 35 5.254 -5.840 4.582 1.00 0.00 H new ATOM 0 HA LEU A 35 6.837 -3.907 5.929 1.00 0.00 H new ATOM 0 HB2 LEU A 35 7.102 -5.534 3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 35 8.387 -4.485 3.928 1.00 0.00 H new ATOM 0 HG LEU A 35 7.058 -6.447 5.813 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.809 -8.095 5.287 1.00 0.00 H new ATOM 0 HD12 LEU A 35 7.757 -7.768 3.889 1.00 0.00 H new ATOM 0 HD13 LEU A 35 9.384 -7.052 3.965 1.00 0.00 H new ATOM 0 HD21 LEU A 35 9.190 -6.343 7.015 1.00 0.00 H new ATOM 0 HD22 LEU A 35 9.809 -5.188 5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 35 8.433 -4.742 6.847 1.00 0.00 H new ATOM 338 N ILE A 36 5.334 -2.692 3.398 1.00 0.00 N ATOM 339 CA ILE A 36 4.882 -1.423 2.776 1.00 0.00 C ATOM 340 C ILE A 36 4.192 -0.560 3.845 1.00 0.00 C ATOM 341 O ILE A 36 4.653 0.530 4.142 1.00 0.00 O ATOM 342 CB ILE A 36 3.903 -1.686 1.615 1.00 0.00 C ATOM 343 CG1 ILE A 36 4.301 -2.839 0.679 1.00 0.00 C ATOM 344 CG2 ILE A 36 3.626 -0.402 0.827 1.00 0.00 C ATOM 345 CD1 ILE A 36 5.745 -2.824 0.164 1.00 0.00 C ATOM 0 H ILE A 36 4.785 -3.499 3.102 1.00 0.00 H new ATOM 0 HA ILE A 36 5.752 -0.904 2.373 1.00 0.00 H new ATOM 0 HB ILE A 36 2.982 -2.020 2.093 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.134 -3.780 1.204 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.630 -2.830 -0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.932 -0.617 0.014 1.00 0.00 H new ATOM 0 HG22 ILE A 36 3.188 0.344 1.490 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.560 -0.019 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.909 -3.684 -0.486 1.00 0.00 H new ATOM 0 HD12 ILE A 36 5.922 -1.906 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.433 -2.871 1.008 1.00 0.00 H new ATOM 347 N GLU A 37 3.185 -1.154 4.493 1.00 0.00 N ATOM 348 CA GLU A 37 2.408 -0.545 5.599 1.00 0.00 C ATOM 349 C GLU A 37 3.307 -0.033 6.751 1.00 0.00 C ATOM 350 O GLU A 37 3.132 1.074 7.254 1.00 0.00 O ATOM 351 CB GLU A 37 1.416 -1.602 6.127 1.00 0.00 C ATOM 352 CG GLU A 37 0.481 -1.026 7.191 1.00 0.00 C ATOM 353 CD GLU A 37 -0.544 -2.026 7.717 1.00 0.00 C ATOM 354 OE1 GLU A 37 -0.113 -3.107 8.191 1.00 0.00 O ATOM 355 OE2 GLU A 37 -1.745 -1.684 7.638 1.00 0.00 O ATOM 0 H GLU A 37 2.872 -2.097 4.263 1.00 0.00 H new ATOM 0 HA GLU A 37 1.882 0.327 5.211 1.00 0.00 H new ATOM 0 HB2 GLU A 37 0.826 -1.992 5.298 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.970 -2.442 6.547 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.078 -0.659 8.026 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.044 -0.167 6.773 1.00 0.00 H new ATOM 357 N ALA A 38 4.253 -0.891 7.140 1.00 0.00 N ATOM 358 CA ALA A 38 5.322 -0.633 8.111 1.00 0.00 C ATOM 359 C ALA A 38 6.320 0.469 7.688 1.00 0.00 C ATOM 360 O ALA A 38 7.152 0.900 8.489 1.00 0.00 O ATOM 361 CB ALA A 38 6.028 -1.970 8.364 1.00 0.00 C ATOM 0 H ALA A 38 4.297 -1.839 6.765 1.00 0.00 H new ATOM 0 HA ALA A 38 4.875 -0.236 9.023 1.00 0.00 H new ATOM 0 HB1 ALA A 38 6.834 -1.825 9.083 1.00 0.00 H new ATOM 0 HB2 ALA A 38 5.312 -2.690 8.761 1.00 0.00 H new ATOM 0 HB3 ALA A 38 6.440 -2.347 7.428 1.00 0.00 H new ATOM 363 N GLY A 39 6.206 0.918 6.438 1.00 0.00 N ATOM 364 CA GLY A 39 6.993 2.022 5.849 1.00 0.00 C ATOM 365 C GLY A 39 8.475 1.707 5.608 1.00 0.00 C ATOM 366 O GLY A 39 9.280 2.633 5.509 1.00 0.00 O ATOM 0 H GLY A 39 5.542 0.514 5.777 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.539 2.305 4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 39 6.924 2.888 6.507 1.00 0.00 H new ATOM 368 N VAL A 40 8.738 0.464 5.241 1.00 0.00 N ATOM 369 CA VAL A 40 10.121 -0.063 5.159 1.00 0.00 C ATOM 370 C VAL A 40 10.527 -0.242 3.682 1.00 0.00 C ATOM 371 O VAL A 40 11.549 0.259 3.223 1.00 0.00 O ATOM 372 CB VAL A 40 10.239 -1.378 5.957 1.00 0.00 C ATOM 373 CG1 VAL A 40 11.667 -1.922 5.958 1.00 0.00 C ATOM 374 CG2 VAL A 40 9.799 -1.211 7.409 1.00 0.00 C ATOM 0 H VAL A 40 8.019 -0.215 4.991 1.00 0.00 H new ATOM 0 HA VAL A 40 10.812 0.651 5.608 1.00 0.00 H new ATOM 0 HB VAL A 40 9.577 -2.082 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 40 11.703 -2.848 6.531 1.00 0.00 H new ATOM 0 HG12 VAL A 40 11.983 -2.117 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 40 12.335 -1.189 6.410 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.899 -2.162 7.931 1.00 0.00 H new ATOM 0 HG22 VAL A 40 10.425 -0.462 7.895 1.00 0.00 H new ATOM 0 HG23 VAL A 40 8.758 -0.889 7.439 1.00 0.00 H new ATOM 376 N THR A 41 9.677 -0.966 2.952 1.00 0.00 N ATOM 377 CA THR A 41 9.935 -1.290 1.535 1.00 0.00 C ATOM 378 C THR A 41 9.472 -0.132 0.642 1.00 0.00 C ATOM 379 O THR A 41 8.336 -0.065 0.181 1.00 0.00 O ATOM 380 CB THR A 41 9.261 -2.619 1.190 1.00 0.00 C ATOM 381 OG1 THR A 41 9.629 -3.594 2.157 1.00 0.00 O ATOM 382 CG2 THR A 41 9.695 -3.137 -0.186 1.00 0.00 C ATOM 0 H THR A 41 8.801 -1.343 3.313 1.00 0.00 H new ATOM 0 HA THR A 41 11.003 -1.413 1.358 1.00 0.00 H new ATOM 0 HB THR A 41 8.184 -2.449 1.181 1.00 0.00 H new ATOM 0 HG1 THR A 41 9.332 -4.479 1.858 1.00 0.00 H new ATOM 0 HG21 THR A 41 9.194 -4.083 -0.393 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.426 -2.408 -0.951 1.00 0.00 H new ATOM 0 HG23 THR A 41 10.774 -3.289 -0.194 1.00 0.00 H new ATOM 385 N LYS A 42 10.409 0.796 0.484 1.00 0.00 N ATOM 386 CA LYS A 42 10.292 1.985 -0.393 1.00 0.00 C ATOM 387 C LYS A 42 9.967 1.609 -1.853 1.00 0.00 C ATOM 388 O LYS A 42 9.283 2.339 -2.576 1.00 0.00 O ATOM 389 CB LYS A 42 11.649 2.708 -0.329 1.00 0.00 C ATOM 390 CG LYS A 42 11.571 4.200 -0.680 1.00 0.00 C ATOM 391 CD LYS A 42 10.852 5.034 0.391 1.00 0.00 C ATOM 392 CE LYS A 42 11.623 5.076 1.721 1.00 0.00 C ATOM 393 NZ LYS A 42 10.798 5.731 2.732 1.00 0.00 N ATOM 0 H LYS A 42 11.304 0.752 0.972 1.00 0.00 H new ATOM 0 HA LYS A 42 9.472 2.615 -0.050 1.00 0.00 H new ATOM 0 HB2 LYS A 42 12.060 2.601 0.675 1.00 0.00 H new ATOM 0 HB3 LYS A 42 12.344 2.219 -1.012 1.00 0.00 H new ATOM 0 HG2 LYS A 42 12.580 4.588 -0.817 1.00 0.00 H new ATOM 0 HG3 LYS A 42 11.052 4.317 -1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 42 10.714 6.051 0.023 1.00 0.00 H new ATOM 0 HD3 LYS A 42 9.859 4.619 0.564 1.00 0.00 H new ATOM 0 HE2 LYS A 42 11.877 4.065 2.040 1.00 0.00 H new ATOM 0 HE3 LYS A 42 12.562 5.616 1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.314 5.762 3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.577 6.700 2.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 9.914 5.198 2.857 1.00 0.00 H new ATOM 398 N ARG A 43 10.588 0.522 -2.293 1.00 0.00 N ATOM 399 CA ARG A 43 10.353 -0.067 -3.619 1.00 0.00 C ATOM 400 C ARG A 43 9.990 -1.563 -3.473 1.00 0.00 C ATOM 401 O ARG A 43 10.853 -2.372 -3.151 1.00 0.00 O ATOM 402 CB ARG A 43 11.624 0.153 -4.456 1.00 0.00 C ATOM 403 CG ARG A 43 11.510 -0.365 -5.896 1.00 0.00 C ATOM 404 CD ARG A 43 10.446 0.377 -6.704 1.00 0.00 C ATOM 405 NE ARG A 43 9.798 -0.637 -7.552 1.00 0.00 N ATOM 406 CZ ARG A 43 9.686 -0.628 -8.874 1.00 0.00 C ATOM 407 NH1 ARG A 43 9.891 0.457 -9.610 1.00 0.00 N ATOM 408 NH2 ARG A 43 9.159 -1.673 -9.494 1.00 0.00 N ATOM 0 H ARG A 43 11.277 0.014 -1.739 1.00 0.00 H new ATOM 0 HA ARG A 43 9.512 0.407 -4.125 1.00 0.00 H new ATOM 0 HB2 ARG A 43 11.853 1.218 -4.479 1.00 0.00 H new ATOM 0 HB3 ARG A 43 12.462 -0.343 -3.966 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.475 -0.263 -6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 43 11.272 -1.428 -5.878 1.00 0.00 H new ATOM 0 HD2 ARG A 43 9.721 0.856 -6.046 1.00 0.00 H new ATOM 0 HD3 ARG A 43 10.895 1.163 -7.311 1.00 0.00 H new ATOM 0 HE ARG A 43 9.389 -1.437 -7.069 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.147 1.336 -9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 43 9.792 0.411 -10.624 1.00 0.00 H new ATOM 0 HH21 ARG A 43 8.842 -2.479 -8.955 1.00 0.00 H new ATOM 0 HH22 ARG A 43 9.070 -1.672 -10.510 1.00 0.00 H new ATOM 411 N PRO A 44 8.692 -1.887 -3.531 1.00 0.00 N ATOM 412 CA PRO A 44 8.262 -3.288 -3.710 1.00 0.00 C ATOM 413 C PRO A 44 8.370 -3.671 -5.187 1.00 0.00 C ATOM 414 O PRO A 44 8.030 -2.909 -6.089 1.00 0.00 O ATOM 415 CB PRO A 44 6.812 -3.335 -3.234 1.00 0.00 C ATOM 416 CG PRO A 44 6.307 -1.896 -3.416 1.00 0.00 C ATOM 417 CD PRO A 44 7.549 -1.033 -3.165 1.00 0.00 C ATOM 0 HA PRO A 44 8.880 -3.990 -3.150 1.00 0.00 H new ATOM 0 HB2 PRO A 44 6.223 -4.040 -3.820 1.00 0.00 H new ATOM 0 HB3 PRO A 44 6.745 -3.652 -2.193 1.00 0.00 H new ATOM 0 HG2 PRO A 44 5.906 -1.737 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 44 5.509 -1.661 -2.712 1.00 0.00 H new ATOM 0 HD2 PRO A 44 7.526 -0.125 -3.768 1.00 0.00 H new ATOM 0 HD3 PRO A 44 7.608 -0.721 -2.122 1.00 0.00 H new ATOM 418 N ARG A 45 8.971 -4.841 -5.403 1.00 0.00 N ATOM 419 CA ARG A 45 9.058 -5.453 -6.744 1.00 0.00 C ATOM 420 C ARG A 45 7.675 -5.589 -7.394 1.00 0.00 C ATOM 421 O ARG A 45 7.380 -4.976 -8.414 1.00 0.00 O ATOM 422 CB ARG A 45 9.748 -6.815 -6.649 1.00 0.00 C ATOM 423 CG ARG A 45 11.172 -6.720 -6.076 1.00 0.00 C ATOM 424 CD ARG A 45 12.090 -5.795 -6.887 1.00 0.00 C ATOM 425 NE ARG A 45 12.327 -6.333 -8.231 1.00 0.00 N ATOM 426 CZ ARG A 45 12.333 -5.659 -9.383 1.00 0.00 C ATOM 427 NH1 ARG A 45 11.837 -4.435 -9.498 1.00 0.00 N ATOM 428 NH2 ARG A 45 12.642 -6.301 -10.499 1.00 0.00 N ATOM 0 H ARG A 45 9.410 -5.393 -4.666 1.00 0.00 H new ATOM 0 HA ARG A 45 9.651 -4.796 -7.380 1.00 0.00 H new ATOM 0 HB2 ARG A 45 9.152 -7.477 -6.021 1.00 0.00 H new ATOM 0 HB3 ARG A 45 9.789 -7.267 -7.640 1.00 0.00 H new ATOM 0 HG2 ARG A 45 11.120 -6.360 -5.049 1.00 0.00 H new ATOM 0 HG3 ARG A 45 11.610 -7.717 -6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 45 11.640 -4.805 -6.962 1.00 0.00 H new ATOM 0 HD3 ARG A 45 13.041 -5.674 -6.367 1.00 0.00 H new ATOM 0 HE ARG A 45 12.508 -7.335 -8.292 1.00 0.00 H new ATOM 0 HH11 ARG A 45 11.430 -3.971 -8.686 1.00 0.00 H new ATOM 0 HH12 ARG A 45 11.863 -3.957 -10.399 1.00 0.00 H new ATOM 0 HH21 ARG A 45 12.870 -7.295 -10.469 1.00 0.00 H new ATOM 0 HH22 ARG A 45 12.652 -5.802 -11.389 1.00 0.00 H new ATOM 431 N PHE A 46 6.776 -6.145 -6.572 1.00 0.00 N ATOM 432 CA PHE A 46 5.328 -6.285 -6.822 1.00 0.00 C ATOM 433 C PHE A 46 4.507 -4.980 -6.683 1.00 0.00 C ATOM 434 O PHE A 46 3.302 -5.025 -6.437 1.00 0.00 O ATOM 435 CB PHE A 46 4.777 -7.414 -5.923 1.00 0.00 C ATOM 436 CG PHE A 46 5.266 -7.412 -4.470 1.00 0.00 C ATOM 437 CD1 PHE A 46 6.456 -8.080 -4.101 1.00 0.00 C ATOM 438 CD2 PHE A 46 4.494 -6.745 -3.502 1.00 0.00 C ATOM 439 CE1 PHE A 46 6.884 -8.065 -2.766 1.00 0.00 C ATOM 440 CE2 PHE A 46 4.915 -6.732 -2.151 1.00 0.00 C ATOM 441 CZ PHE A 46 6.113 -7.383 -1.797 1.00 0.00 C ATOM 0 H PHE A 46 7.048 -6.530 -5.668 1.00 0.00 H new ATOM 0 HA PHE A 46 5.210 -6.544 -7.874 1.00 0.00 H new ATOM 0 HB2 PHE A 46 3.689 -7.351 -5.920 1.00 0.00 H new ATOM 0 HB3 PHE A 46 5.040 -8.371 -6.373 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.036 -8.602 -4.848 1.00 0.00 H new ATOM 0 HD2 PHE A 46 3.582 -6.244 -3.789 1.00 0.00 H new ATOM 0 HE1 PHE A 46 7.795 -8.570 -2.480 1.00 0.00 H new ATOM 0 HE2 PHE A 46 4.324 -6.229 -1.400 1.00 0.00 H new ATOM 0 HZ PHE A 46 6.447 -7.361 -0.770 1.00 0.00 H new ATOM 443 N LEU A 47 5.139 -3.847 -6.989 1.00 0.00 N ATOM 444 CA LEU A 47 4.492 -2.515 -7.014 1.00 0.00 C ATOM 445 C LEU A 47 3.242 -2.463 -7.912 1.00 0.00 C ATOM 446 O LEU A 47 2.140 -2.221 -7.420 1.00 0.00 O ATOM 447 CB LEU A 47 5.568 -1.507 -7.476 1.00 0.00 C ATOM 448 CG LEU A 47 5.121 -0.045 -7.608 1.00 0.00 C ATOM 449 CD1 LEU A 47 4.847 0.547 -6.237 1.00 0.00 C ATOM 450 CD2 LEU A 47 6.213 0.757 -8.319 1.00 0.00 C ATOM 0 H LEU A 47 6.129 -3.818 -7.231 1.00 0.00 H new ATOM 0 HA LEU A 47 4.122 -2.270 -6.018 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.399 -1.548 -6.772 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.952 -1.836 -8.442 1.00 0.00 H new ATOM 0 HG LEU A 47 4.202 -0.002 -8.192 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.531 1.584 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.059 -0.023 -5.745 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.755 0.505 -5.635 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.898 1.796 -8.414 1.00 0.00 H new ATOM 0 HD22 LEU A 47 7.135 0.709 -7.740 1.00 0.00 H new ATOM 0 HD23 LEU A 47 6.385 0.338 -9.310 1.00 0.00 H new ATOM 452 N PHE A 48 3.422 -2.907 -9.156 1.00 0.00 N ATOM 453 CA PHE A 48 2.353 -3.026 -10.162 1.00 0.00 C ATOM 454 C PHE A 48 1.159 -3.856 -9.645 1.00 0.00 C ATOM 455 O PHE A 48 0.012 -3.419 -9.679 1.00 0.00 O ATOM 456 CB PHE A 48 2.985 -3.732 -11.362 1.00 0.00 C ATOM 457 CG PHE A 48 2.202 -3.480 -12.642 1.00 0.00 C ATOM 458 CD1 PHE A 48 2.382 -2.253 -13.321 1.00 0.00 C ATOM 459 CD2 PHE A 48 1.292 -4.449 -13.115 1.00 0.00 C ATOM 460 CE1 PHE A 48 1.658 -1.999 -14.495 1.00 0.00 C ATOM 461 CE2 PHE A 48 0.556 -4.201 -14.295 1.00 0.00 C ATOM 462 CZ PHE A 48 0.746 -2.973 -14.976 1.00 0.00 C ATOM 0 H PHE A 48 4.334 -3.202 -9.506 1.00 0.00 H new ATOM 0 HA PHE A 48 1.961 -2.040 -10.412 1.00 0.00 H new ATOM 0 HB2 PHE A 48 4.011 -3.385 -11.489 1.00 0.00 H new ATOM 0 HB3 PHE A 48 3.032 -4.804 -11.170 1.00 0.00 H new ATOM 0 HD1 PHE A 48 3.073 -1.516 -12.938 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.159 -5.376 -12.577 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.794 -1.070 -15.028 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -0.140 -4.936 -14.672 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.186 -2.775 -15.878 1.00 0.00 H new ATOM 464 N GLU A 49 1.514 -5.012 -9.087 1.00 0.00 N ATOM 465 CA GLU A 49 0.577 -5.967 -8.456 1.00 0.00 C ATOM 466 C GLU A 49 -0.250 -5.317 -7.337 1.00 0.00 C ATOM 467 O GLU A 49 -1.466 -5.244 -7.494 1.00 0.00 O ATOM 468 CB GLU A 49 1.360 -7.195 -7.965 1.00 0.00 C ATOM 469 CG GLU A 49 1.740 -8.177 -9.089 1.00 0.00 C ATOM 470 CD GLU A 49 2.642 -7.604 -10.183 1.00 0.00 C ATOM 471 OE1 GLU A 49 3.612 -6.885 -9.828 1.00 0.00 O ATOM 472 OE2 GLU A 49 2.317 -7.819 -11.371 1.00 0.00 O ATOM 0 H GLU A 49 2.484 -5.327 -9.055 1.00 0.00 H new ATOM 0 HA GLU A 49 -0.149 -6.291 -9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 49 2.269 -6.859 -7.465 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.763 -7.722 -7.221 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.240 -9.037 -8.643 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.824 -8.545 -9.552 1.00 0.00 H new ATOM 474 N ILE A 50 0.409 -4.672 -6.374 1.00 0.00 N ATOM 475 CA ILE A 50 -0.287 -3.909 -5.300 1.00 0.00 C ATOM 476 C ILE A 50 -1.193 -2.814 -5.886 1.00 0.00 C ATOM 477 O ILE A 50 -2.367 -2.762 -5.554 1.00 0.00 O ATOM 478 CB ILE A 50 0.700 -3.311 -4.269 1.00 0.00 C ATOM 479 CG1 ILE A 50 1.569 -4.423 -3.665 1.00 0.00 C ATOM 480 CG2 ILE A 50 -0.064 -2.544 -3.176 1.00 0.00 C ATOM 481 CD1 ILE A 50 2.698 -3.906 -2.768 1.00 0.00 C ATOM 0 H ILE A 50 1.426 -4.654 -6.303 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.915 -4.624 -4.769 1.00 0.00 H new ATOM 0 HB ILE A 50 1.357 -2.603 -4.775 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.934 -5.093 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.001 -5.013 -4.473 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.645 -2.130 -2.459 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.635 -1.734 -3.631 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.744 -3.224 -2.662 1.00 0.00 H new ATOM 0 HD11 ILE A 50 3.268 -4.749 -2.378 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.357 -3.260 -3.348 1.00 0.00 H new ATOM 0 HD13 ILE A 50 2.274 -3.341 -1.938 1.00 0.00 H new ATOM 483 N ALA A 51 -0.642 -2.011 -6.792 1.00 0.00 N ATOM 484 CA ALA A 51 -1.374 -0.895 -7.420 1.00 0.00 C ATOM 485 C ALA A 51 -2.668 -1.306 -8.131 1.00 0.00 C ATOM 486 O ALA A 51 -3.730 -0.758 -7.828 1.00 0.00 O ATOM 487 CB ALA A 51 -0.434 -0.173 -8.381 1.00 0.00 C ATOM 0 H ALA A 51 0.320 -2.108 -7.116 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.696 -0.232 -6.617 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.962 0.655 -8.853 1.00 0.00 H new ATOM 0 HB2 ALA A 51 0.425 0.211 -7.830 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -0.092 -0.869 -9.147 1.00 0.00 H new ATOM 489 N MET A 52 -2.604 -2.374 -8.921 1.00 0.00 N ATOM 490 CA MET A 52 -3.792 -2.947 -9.582 1.00 0.00 C ATOM 491 C MET A 52 -4.733 -3.704 -8.632 1.00 0.00 C ATOM 492 O MET A 52 -5.941 -3.567 -8.725 1.00 0.00 O ATOM 493 CB MET A 52 -3.351 -3.838 -10.749 1.00 0.00 C ATOM 494 CG MET A 52 -2.737 -2.988 -11.870 1.00 0.00 C ATOM 495 SD MET A 52 -3.816 -1.638 -12.469 1.00 0.00 S ATOM 496 CE MET A 52 -2.568 -0.579 -13.164 1.00 0.00 C ATOM 0 H MET A 52 -1.737 -2.870 -9.126 1.00 0.00 H new ATOM 0 HA MET A 52 -4.380 -2.108 -9.955 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.624 -4.571 -10.400 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.206 -4.395 -11.133 1.00 0.00 H new ATOM 0 HG2 MET A 52 -1.801 -2.558 -11.513 1.00 0.00 H new ATOM 0 HG3 MET A 52 -2.489 -3.638 -12.709 1.00 0.00 H new ATOM 0 HE1 MET A 52 -3.038 0.310 -13.584 1.00 0.00 H new ATOM 0 HE2 MET A 52 -1.866 -0.284 -12.384 1.00 0.00 H new ATOM 0 HE3 MET A 52 -2.034 -1.113 -13.950 1.00 0.00 H new ATOM 498 N ALA A 53 -4.148 -4.401 -7.649 1.00 0.00 N ATOM 499 CA ALA A 53 -4.896 -5.070 -6.564 1.00 0.00 C ATOM 500 C ALA A 53 -5.721 -4.061 -5.722 1.00 0.00 C ATOM 501 O ALA A 53 -6.807 -4.366 -5.244 1.00 0.00 O ATOM 502 CB ALA A 53 -3.909 -5.809 -5.670 1.00 0.00 C ATOM 0 H ALA A 53 -3.137 -4.520 -7.579 1.00 0.00 H new ATOM 0 HA ALA A 53 -5.601 -5.770 -7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -4.450 -6.307 -4.865 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -3.370 -6.551 -6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.200 -5.098 -5.245 1.00 0.00 H new ATOM 504 N LEU A 54 -5.128 -2.887 -5.525 1.00 0.00 N ATOM 505 CA LEU A 54 -5.727 -1.731 -4.821 1.00 0.00 C ATOM 506 C LEU A 54 -6.264 -0.662 -5.812 1.00 0.00 C ATOM 507 O LEU A 54 -6.390 0.508 -5.484 1.00 0.00 O ATOM 508 CB LEU A 54 -4.593 -1.246 -3.900 1.00 0.00 C ATOM 509 CG LEU A 54 -4.956 -0.379 -2.699 1.00 0.00 C ATOM 510 CD1 LEU A 54 -6.032 -0.996 -1.803 1.00 0.00 C ATOM 511 CD2 LEU A 54 -3.696 -0.160 -1.866 1.00 0.00 C ATOM 0 H LEU A 54 -4.183 -2.696 -5.859 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.618 -1.980 -4.244 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.068 -2.126 -3.528 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.885 -0.687 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 54 -5.362 0.555 -3.087 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -6.240 -0.325 -0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.943 -1.149 -2.381 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.681 -1.954 -1.419 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.935 0.459 -1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.311 -1.122 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.941 0.340 -2.473 1.00 0.00 H new ATOM 513 N ASN A 55 -6.565 -1.132 -7.019 1.00 0.00 N ATOM 514 CA ASN A 55 -7.300 -0.431 -8.112 1.00 0.00 C ATOM 515 C ASN A 55 -6.841 0.971 -8.545 1.00 0.00 C ATOM 516 O ASN A 55 -7.570 1.696 -9.232 1.00 0.00 O ATOM 517 CB ASN A 55 -8.801 -0.443 -7.811 1.00 0.00 C ATOM 518 CG ASN A 55 -9.343 -1.874 -7.692 1.00 0.00 C ATOM 519 OD1 ASN A 55 -9.846 -2.470 -8.626 1.00 0.00 O ATOM 520 ND2 ASN A 55 -9.235 -2.423 -6.503 1.00 0.00 N ATOM 0 H ASN A 55 -6.291 -2.075 -7.296 1.00 0.00 H new ATOM 0 HA ASN A 55 -7.043 -1.021 -8.992 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.991 0.097 -6.883 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -9.335 0.084 -8.601 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -9.577 -3.371 -6.346 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -8.809 -1.901 -5.737 1.00 0.00 H new ATOM 522 N CYS A 56 -5.571 1.272 -8.297 1.00 0.00 N ATOM 523 CA CYS A 56 -4.993 2.581 -8.645 1.00 0.00 C ATOM 524 C CYS A 56 -3.558 2.463 -9.181 1.00 0.00 C ATOM 525 O CYS A 56 -3.032 1.378 -9.403 1.00 0.00 O ATOM 526 CB CYS A 56 -5.138 3.543 -7.450 1.00 0.00 C ATOM 527 SG CYS A 56 -5.067 5.304 -7.948 1.00 0.00 S ATOM 0 H CYS A 56 -4.914 0.630 -7.855 1.00 0.00 H new ATOM 0 HA CYS A 56 -5.554 3.009 -9.476 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.085 3.350 -6.946 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -4.346 3.341 -6.728 1.00 0.00 H new ATOM 0 HG CYS A 56 -5.197 6.058 -6.897 1.00 0.00 H new ATOM 529 N ASP A 57 -2.901 3.606 -9.331 1.00 0.00 N ATOM 530 CA ASP A 57 -1.673 3.766 -10.139 1.00 0.00 C ATOM 531 C ASP A 57 -0.340 3.435 -9.403 1.00 0.00 C ATOM 532 O ASP A 57 -0.131 3.945 -8.305 1.00 0.00 O ATOM 533 CB ASP A 57 -1.780 5.201 -10.672 1.00 0.00 C ATOM 534 CG ASP A 57 -0.526 5.782 -11.306 1.00 0.00 C ATOM 535 OD1 ASP A 57 0.043 5.133 -12.208 1.00 0.00 O ATOM 536 OD2 ASP A 57 -0.013 6.761 -10.721 1.00 0.00 O ATOM 0 H ASP A 57 -3.204 4.474 -8.889 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.619 3.031 -10.942 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.582 5.233 -11.410 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.079 5.850 -9.849 1.00 0.00 H new