USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 595 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 13 TYR OH : rot 43:sc= 1.19 USER MOD Set 1.2: A 34 THR OG1 : rot 67:sc= 0.812 USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ -156:sc= -0.101 (180deg=-0.665) USER MOD Single : A 12 LYS NZ :NH3+ 174:sc= 1.44 (180deg=1.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -3.17! C(o=-3.2!,f=-2.7!) USER MOD Single : A 24 SER OG : rot 180:sc= -0.0271 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00887) USER MOD Single : A 33 GLN : amide:sc= -0.138 K(o=-0.14,f=-1) USER MOD Single : A 38 SER OG : rot -130:sc= 0.0871 USER MOD Single : A 41 LYS NZ :NH3+ -156:sc= -0.0209 (180deg=-0.159) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 120:sc= -3.18! USER MOD Single : A 55 LYS NZ :NH3+ -173:sc= -0.79 (180deg=-0.912) USER MOD Single : A 56 ASN : amide:sc= -3.09! C(o=-3.1!,f=-3.9!) USER MOD Single : A 62 SER OG : rot 180:sc= -0.826! USER MOD Single : A 67 GLN : amide:sc= -8.7! C(o=-8.7!,f=-5.3!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0.036 USER MOD Single : A 75 GLN : amide:sc= -0.561 X(o=-0.56,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 -17.377 -0.783 8.595 1.00 0.00 N ATOM 2 CA MET A 0 -16.100 -1.539 8.467 1.00 0.00 C ATOM 3 C MET A 0 -16.235 -2.580 7.354 1.00 0.00 C ATOM 4 O MET A 0 -15.567 -2.509 6.343 1.00 0.00 O ATOM 5 CB MET A 0 -15.788 -2.243 9.790 1.00 0.00 C ATOM 6 CG MET A 0 -14.281 -2.488 9.897 1.00 0.00 C ATOM 7 SD MET A 0 -13.824 -2.689 11.637 1.00 0.00 S ATOM 8 CE MET A 0 -13.159 -1.027 11.889 1.00 0.00 C ATOM 0 H1 MET A 0 -17.287 -0.075 9.351 1.00 0.00 H new ATOM 0 H2 MET A 0 -17.589 -0.305 7.696 1.00 0.00 H new ATOM 0 H3 MET A 0 -18.148 -1.441 8.827 1.00 0.00 H new ATOM 0 HA MET A 0 -15.292 -0.849 8.224 1.00 0.00 H new ATOM 0 HB2 MET A 0 -16.128 -1.633 10.627 1.00 0.00 H new ATOM 0 HB3 MET A 0 -16.326 -3.190 9.846 1.00 0.00 H new ATOM 0 HG2 MET A 0 -14.006 -3.379 9.332 1.00 0.00 H new ATOM 0 HG3 MET A 0 -13.734 -1.652 9.461 1.00 0.00 H new ATOM 0 HE1 MET A 0 -12.811 -0.926 12.917 1.00 0.00 H new ATOM 0 HE2 MET A 0 -12.326 -0.861 11.206 1.00 0.00 H new ATOM 0 HE3 MET A 0 -13.939 -0.290 11.696 1.00 0.00 H new ATOM 18 N LYS A 1 -17.095 -3.544 7.531 1.00 0.00 N ATOM 19 CA LYS A 1 -17.273 -4.587 6.482 1.00 0.00 C ATOM 20 C LYS A 1 -18.058 -3.998 5.304 1.00 0.00 C ATOM 21 O LYS A 1 -19.270 -3.920 5.332 1.00 0.00 O ATOM 22 CB LYS A 1 -18.044 -5.773 7.068 1.00 0.00 C ATOM 23 CG LYS A 1 -17.256 -6.372 8.238 1.00 0.00 C ATOM 24 CD LYS A 1 -18.222 -6.745 9.366 1.00 0.00 C ATOM 25 CE LYS A 1 -17.505 -7.635 10.384 1.00 0.00 C ATOM 26 NZ LYS A 1 -18.508 -8.446 11.131 1.00 0.00 N ATOM 0 H LYS A 1 -17.683 -3.655 8.357 1.00 0.00 H new ATOM 0 HA LYS A 1 -16.296 -4.924 6.135 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -19.028 -5.448 7.407 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -18.206 -6.530 6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -16.708 -7.254 7.907 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -16.518 -5.655 8.599 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -18.593 -5.843 9.854 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -19.088 -7.266 8.959 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -16.798 -8.290 9.875 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -16.929 -7.022 11.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -18.020 -9.050 11.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -19.166 -7.812 11.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -19.039 -9.042 10.464 1.00 0.00 H new ATOM 40 N SER A 2 -17.378 -3.579 4.268 1.00 0.00 N ATOM 41 CA SER A 2 -18.093 -2.997 3.095 1.00 0.00 C ATOM 42 C SER A 2 -17.155 -2.965 1.883 1.00 0.00 C ATOM 43 O SER A 2 -15.949 -2.958 2.035 1.00 0.00 O ATOM 44 CB SER A 2 -18.540 -1.573 3.427 1.00 0.00 C ATOM 45 OG SER A 2 -17.421 -0.825 3.885 1.00 0.00 O ATOM 0 H SER A 2 -16.362 -3.615 4.184 1.00 0.00 H new ATOM 0 HA SER A 2 -18.964 -3.610 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.972 -1.100 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 2 -19.317 -1.592 4.191 1.00 0.00 H new ATOM 0 HG SER A 2 -17.703 0.089 4.097 1.00 0.00 H new ATOM 51 N PRO A 3 -17.741 -2.944 0.710 1.00 0.00 N ATOM 52 CA PRO A 3 -16.979 -2.909 -0.554 1.00 0.00 C ATOM 53 C PRO A 3 -16.113 -1.646 -0.618 1.00 0.00 C ATOM 54 O PRO A 3 -15.066 -1.630 -1.234 1.00 0.00 O ATOM 55 CB PRO A 3 -18.047 -2.888 -1.656 1.00 0.00 C ATOM 56 CG PRO A 3 -19.436 -2.929 -0.969 1.00 0.00 C ATOM 57 CD PRO A 3 -19.207 -2.955 0.550 1.00 0.00 C ATOM 0 HA PRO A 3 -16.304 -3.759 -0.655 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -17.949 -1.990 -2.266 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.925 -3.742 -2.323 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -20.028 -2.058 -1.251 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -19.994 -3.810 -1.287 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -19.664 -2.092 1.034 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.648 -3.844 1.001 1.00 0.00 H new ATOM 65 N GLU A 4 -16.535 -0.593 0.027 1.00 0.00 N ATOM 66 CA GLU A 4 -15.744 0.665 0.027 1.00 0.00 C ATOM 67 C GLU A 4 -14.661 0.584 1.097 1.00 0.00 C ATOM 68 O GLU A 4 -14.245 1.582 1.646 1.00 0.00 O ATOM 69 CB GLU A 4 -16.677 1.843 0.310 1.00 0.00 C ATOM 70 CG GLU A 4 -17.838 1.820 -0.689 1.00 0.00 C ATOM 71 CD GLU A 4 -19.079 1.230 -0.018 1.00 0.00 C ATOM 72 OE1 GLU A 4 -19.322 1.563 1.131 1.00 0.00 O ATOM 73 OE2 GLU A 4 -19.765 0.455 -0.663 1.00 0.00 O ATOM 0 H GLU A 4 -17.404 -0.553 0.559 1.00 0.00 H new ATOM 0 HA GLU A 4 -15.271 0.807 -0.945 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -17.058 1.783 1.329 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -16.130 2.783 0.228 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -18.048 2.830 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -17.568 1.227 -1.563 1.00 0.00 H new ATOM 80 N GLU A 5 -14.184 -0.594 1.391 1.00 0.00 N ATOM 81 CA GLU A 5 -13.122 -0.712 2.403 1.00 0.00 C ATOM 82 C GLU A 5 -11.779 -0.404 1.738 1.00 0.00 C ATOM 83 O GLU A 5 -10.734 -0.536 2.341 1.00 0.00 O ATOM 84 CB GLU A 5 -13.117 -2.133 2.963 1.00 0.00 C ATOM 85 CG GLU A 5 -13.422 -2.088 4.462 1.00 0.00 C ATOM 86 CD GLU A 5 -12.280 -2.742 5.244 1.00 0.00 C ATOM 87 OE1 GLU A 5 -12.335 -3.944 5.438 1.00 0.00 O ATOM 88 OE2 GLU A 5 -11.373 -2.027 5.636 1.00 0.00 O ATOM 0 H GLU A 5 -14.489 -1.472 0.970 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.294 -0.011 3.220 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.860 -2.742 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.147 -2.600 2.792 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -13.551 -1.055 4.785 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -14.359 -2.606 4.667 1.00 0.00 H new ATOM 95 N LEU A 6 -11.807 0.038 0.502 1.00 0.00 N ATOM 96 CA LEU A 6 -10.537 0.389 -0.200 1.00 0.00 C ATOM 97 C LEU A 6 -10.168 1.772 0.261 1.00 0.00 C ATOM 98 O LEU A 6 -9.042 2.071 0.600 1.00 0.00 O ATOM 99 CB LEU A 6 -10.729 0.382 -1.725 1.00 0.00 C ATOM 100 CG LEU A 6 -12.003 -0.381 -2.102 1.00 0.00 C ATOM 101 CD1 LEU A 6 -13.155 0.610 -2.278 1.00 0.00 C ATOM 102 CD2 LEU A 6 -11.779 -1.135 -3.415 1.00 0.00 C ATOM 0 H LEU A 6 -12.656 0.170 -0.048 1.00 0.00 H new ATOM 0 HA LEU A 6 -9.757 -0.337 0.030 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -10.788 1.406 -2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -9.866 -0.080 -2.204 1.00 0.00 H new ATOM 0 HG LEU A 6 -12.247 -1.091 -1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -14.062 0.069 -2.546 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -13.317 1.149 -1.345 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -12.908 1.319 -3.069 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -12.686 -1.677 -3.682 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -11.535 -0.425 -4.205 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -10.957 -1.840 -3.294 1.00 0.00 H new ATOM 114 N LYS A 7 -11.142 2.603 0.307 1.00 0.00 N ATOM 115 CA LYS A 7 -10.948 3.965 0.780 1.00 0.00 C ATOM 116 C LYS A 7 -10.741 3.966 2.305 1.00 0.00 C ATOM 117 O LYS A 7 -10.363 4.960 2.887 1.00 0.00 O ATOM 118 CB LYS A 7 -12.207 4.692 0.349 1.00 0.00 C ATOM 119 CG LYS A 7 -12.801 5.485 1.502 1.00 0.00 C ATOM 120 CD LYS A 7 -13.571 4.478 2.365 1.00 0.00 C ATOM 121 CE LYS A 7 -14.863 4.076 1.647 1.00 0.00 C ATOM 122 NZ LYS A 7 -15.774 5.252 1.566 1.00 0.00 N ATOM 0 H LYS A 7 -12.097 2.383 0.025 1.00 0.00 H new ATOM 0 HA LYS A 7 -10.062 4.452 0.372 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -11.978 5.363 -0.479 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -12.939 3.972 -0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -12.018 5.975 2.081 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -13.463 6.269 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -12.956 3.597 2.551 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -13.803 4.916 3.336 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -14.636 3.709 0.646 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -15.351 3.261 2.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -16.756 4.924 1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -15.683 5.822 2.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -15.519 5.832 0.741 1.00 0.00 H new ATOM 136 N GLY A 8 -11.014 2.865 2.952 1.00 0.00 N ATOM 137 CA GLY A 8 -10.859 2.812 4.436 1.00 0.00 C ATOM 138 C GLY A 8 -9.613 2.008 4.838 1.00 0.00 C ATOM 139 O GLY A 8 -9.166 2.082 5.964 1.00 0.00 O ATOM 0 H GLY A 8 -11.337 2.000 2.518 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.785 3.825 4.833 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.746 2.360 4.881 1.00 0.00 H new ATOM 143 N ILE A 9 -9.043 1.244 3.943 1.00 0.00 N ATOM 144 CA ILE A 9 -7.831 0.457 4.321 1.00 0.00 C ATOM 145 C ILE A 9 -6.616 1.375 4.282 1.00 0.00 C ATOM 146 O ILE A 9 -6.193 1.919 5.282 1.00 0.00 O ATOM 147 CB ILE A 9 -7.643 -0.728 3.350 1.00 0.00 C ATOM 148 CG1 ILE A 9 -6.209 -1.268 3.429 1.00 0.00 C ATOM 149 CG2 ILE A 9 -7.965 -0.337 1.906 1.00 0.00 C ATOM 150 CD1 ILE A 9 -6.031 -2.040 4.735 1.00 0.00 C ATOM 0 H ILE A 9 -9.358 1.131 2.980 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.951 0.056 5.327 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.342 -1.507 3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -6.006 -1.918 2.578 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -5.495 -0.446 3.379 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.820 -1.199 1.255 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -9.001 -0.004 1.842 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.304 0.470 1.592 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -5.013 -2.425 4.794 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -6.217 -1.376 5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -6.736 -2.871 4.765 1.00 0.00 H new ATOM 162 N PHE A 10 -6.073 1.562 3.128 1.00 0.00 N ATOM 163 CA PHE A 10 -4.900 2.458 2.979 1.00 0.00 C ATOM 164 C PHE A 10 -5.193 3.737 3.724 1.00 0.00 C ATOM 165 O PHE A 10 -4.478 4.151 4.615 1.00 0.00 O ATOM 166 CB PHE A 10 -4.748 2.795 1.513 1.00 0.00 C ATOM 167 CG PHE A 10 -3.688 3.860 1.321 1.00 0.00 C ATOM 168 CD1 PHE A 10 -3.952 5.191 1.673 1.00 0.00 C ATOM 169 CD2 PHE A 10 -2.442 3.517 0.781 1.00 0.00 C ATOM 170 CE1 PHE A 10 -2.977 6.173 1.485 1.00 0.00 C ATOM 171 CE2 PHE A 10 -1.465 4.502 0.594 1.00 0.00 C ATOM 172 CZ PHE A 10 -1.735 5.830 0.945 1.00 0.00 C ATOM 0 H PHE A 10 -6.393 1.127 2.263 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.997 1.982 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.477 1.899 0.954 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.700 3.145 1.113 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.912 5.458 2.091 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.235 2.493 0.509 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.183 7.198 1.757 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.504 4.238 0.179 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.982 6.590 0.798 1.00 0.00 H new ATOM 182 N GLU A 11 -6.252 4.366 3.327 1.00 0.00 N ATOM 183 CA GLU A 11 -6.657 5.651 3.961 1.00 0.00 C ATOM 184 C GLU A 11 -6.413 5.570 5.470 1.00 0.00 C ATOM 185 O GLU A 11 -5.882 6.489 6.061 1.00 0.00 O ATOM 186 CB GLU A 11 -8.135 5.925 3.684 1.00 0.00 C ATOM 187 CG GLU A 11 -8.504 7.310 4.218 1.00 0.00 C ATOM 188 CD GLU A 11 -7.921 8.384 3.297 1.00 0.00 C ATOM 189 OE1 GLU A 11 -6.741 8.672 3.426 1.00 0.00 O ATOM 190 OE2 GLU A 11 -8.663 8.901 2.478 1.00 0.00 O ATOM 0 H GLU A 11 -6.867 4.044 2.580 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.065 6.465 3.542 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.332 5.872 2.613 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.753 5.163 4.160 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.588 7.413 4.274 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -8.119 7.436 5.230 1.00 0.00 H new ATOM 197 N LYS A 12 -6.775 4.482 6.108 1.00 0.00 N ATOM 198 CA LYS A 12 -6.520 4.392 7.575 1.00 0.00 C ATOM 199 C LYS A 12 -5.008 4.474 7.815 1.00 0.00 C ATOM 200 O LYS A 12 -4.546 5.214 8.660 1.00 0.00 O ATOM 201 CB LYS A 12 -7.102 3.077 8.151 1.00 0.00 C ATOM 202 CG LYS A 12 -6.007 2.011 8.375 1.00 0.00 C ATOM 203 CD LYS A 12 -5.073 2.431 9.526 1.00 0.00 C ATOM 204 CE LYS A 12 -5.179 1.427 10.675 1.00 0.00 C ATOM 205 NZ LYS A 12 -3.814 0.971 11.063 1.00 0.00 N ATOM 0 H LYS A 12 -7.226 3.671 5.685 1.00 0.00 H new ATOM 0 HA LYS A 12 -7.014 5.218 8.086 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -7.604 3.286 9.096 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.856 2.685 7.469 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.468 1.050 8.605 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -5.429 1.877 7.460 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -4.044 2.483 9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -5.339 3.428 9.877 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.677 1.886 11.529 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.787 0.574 10.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -3.877 0.368 11.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -3.394 0.429 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -3.218 1.797 11.271 1.00 0.00 H new ATOM 219 N TYR A 13 -4.231 3.706 7.087 1.00 0.00 N ATOM 220 CA TYR A 13 -2.754 3.739 7.295 1.00 0.00 C ATOM 221 C TYR A 13 -2.223 5.120 6.936 1.00 0.00 C ATOM 222 O TYR A 13 -1.088 5.455 7.210 1.00 0.00 O ATOM 223 CB TYR A 13 -2.083 2.646 6.467 1.00 0.00 C ATOM 224 CG TYR A 13 -2.033 1.421 7.334 1.00 0.00 C ATOM 225 CD1 TYR A 13 -3.153 0.592 7.432 1.00 0.00 C ATOM 226 CD2 TYR A 13 -0.884 1.143 8.077 1.00 0.00 C ATOM 227 CE1 TYR A 13 -3.121 -0.524 8.270 1.00 0.00 C ATOM 228 CE2 TYR A 13 -0.851 0.030 8.920 1.00 0.00 C ATOM 229 CZ TYR A 13 -1.972 -0.806 9.017 1.00 0.00 C ATOM 230 OH TYR A 13 -1.943 -1.904 9.850 1.00 0.00 O ATOM 0 H TYR A 13 -4.556 3.064 6.364 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.524 3.546 8.343 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.645 2.452 5.554 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.080 2.949 6.166 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.042 0.814 6.860 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.021 1.788 8.000 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.984 -1.170 8.342 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.037 -0.186 9.496 1.00 0.00 H new ATOM 0 HH TYR A 13 -2.349 -2.671 9.394 1.00 0.00 H new ATOM 240 N ASP A 15 -3.066 5.937 6.376 1.00 0.00 N ATOM 241 CA ASP A 15 -2.692 7.316 6.052 1.00 0.00 C ATOM 242 C ASP A 15 -2.962 8.125 7.316 1.00 0.00 C ATOM 243 O ASP A 15 -3.783 9.019 7.336 1.00 0.00 O ATOM 244 CB ASP A 15 -3.590 7.809 4.922 1.00 0.00 C ATOM 245 CG ASP A 15 -2.790 8.703 3.978 1.00 0.00 C ATOM 246 OD1 ASP A 15 -1.672 8.338 3.656 1.00 0.00 O ATOM 247 OD2 ASP A 15 -3.310 9.739 3.597 1.00 0.00 O ATOM 0 H ASP A 15 -4.023 5.688 6.127 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.652 7.405 5.737 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -3.999 6.960 4.374 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -4.435 8.362 5.332 1.00 0.00 H new ATOM 252 N LYS A 16 -2.296 7.779 8.385 1.00 0.00 N ATOM 253 CA LYS A 16 -2.522 8.476 9.682 1.00 0.00 C ATOM 254 C LYS A 16 -1.843 9.860 9.684 1.00 0.00 C ATOM 255 O LYS A 16 -1.482 10.377 10.723 1.00 0.00 O ATOM 256 CB LYS A 16 -1.930 7.617 10.812 1.00 0.00 C ATOM 257 CG LYS A 16 -2.237 6.122 10.578 1.00 0.00 C ATOM 258 CD LYS A 16 -1.602 5.285 11.694 1.00 0.00 C ATOM 259 CE LYS A 16 -2.180 5.700 13.048 1.00 0.00 C ATOM 260 NZ LYS A 16 -1.062 5.975 13.995 1.00 0.00 N ATOM 0 H LYS A 16 -1.598 7.036 8.414 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.593 8.617 9.830 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.852 7.768 10.864 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.343 7.933 11.770 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.315 5.961 10.557 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.849 5.808 9.609 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -1.789 4.226 11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -0.521 5.422 11.693 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.803 6.587 12.934 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.820 4.910 13.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.450 6.258 14.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -0.486 5.117 14.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -0.469 6.742 13.619 1.00 0.00 H new ATOM 274 N GLU A 17 -1.691 10.471 8.533 1.00 0.00 N ATOM 275 CA GLU A 17 -1.071 11.823 8.454 1.00 0.00 C ATOM 276 C GLU A 17 0.428 11.748 8.673 1.00 0.00 C ATOM 277 O GLU A 17 1.126 12.734 8.536 1.00 0.00 O ATOM 278 CB GLU A 17 -1.660 12.732 9.511 1.00 0.00 C ATOM 279 CG GLU A 17 -3.183 12.636 9.478 1.00 0.00 C ATOM 280 CD GLU A 17 -3.786 13.872 10.149 1.00 0.00 C ATOM 281 OE1 GLU A 17 -3.054 14.564 10.838 1.00 0.00 O ATOM 282 OE2 GLU A 17 -4.968 14.106 9.962 1.00 0.00 O ATOM 0 H GLU A 17 -1.976 10.081 7.635 1.00 0.00 H new ATOM 0 HA GLU A 17 -1.274 12.219 7.459 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -1.289 12.449 10.496 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.347 13.761 9.336 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -3.531 12.562 8.448 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -3.512 11.733 9.992 1.00 0.00 H new ATOM 289 N GLY A 18 0.949 10.604 8.990 1.00 0.00 N ATOM 290 CA GLY A 18 2.410 10.518 9.180 1.00 0.00 C ATOM 291 C GLY A 18 3.051 11.144 7.953 1.00 0.00 C ATOM 292 O GLY A 18 4.168 11.620 7.989 1.00 0.00 O ATOM 0 H GLY A 18 0.432 9.735 9.124 1.00 0.00 H new ATOM 0 HA2 GLY A 18 2.714 11.044 10.085 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.724 9.481 9.293 1.00 0.00 H new ATOM 296 N ASP A 19 2.332 11.157 6.860 1.00 0.00 N ATOM 297 CA ASP A 19 2.905 11.776 5.631 1.00 0.00 C ATOM 298 C ASP A 19 1.857 12.052 4.521 1.00 0.00 C ATOM 299 O ASP A 19 2.197 12.597 3.490 1.00 0.00 O ATOM 300 CB ASP A 19 4.005 10.866 5.075 1.00 0.00 C ATOM 301 CG ASP A 19 5.351 11.588 5.158 1.00 0.00 C ATOM 302 OD1 ASP A 19 5.344 12.805 5.246 1.00 0.00 O ATOM 303 OD2 ASP A 19 6.366 10.912 5.130 1.00 0.00 O ATOM 0 H ASP A 19 1.391 10.774 6.766 1.00 0.00 H new ATOM 0 HA ASP A 19 3.304 12.746 5.927 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.043 9.935 5.641 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.785 10.601 4.041 1.00 0.00 H new ATOM 308 N GLY A 20 0.609 11.670 4.675 1.00 0.00 N ATOM 309 CA GLY A 20 -0.374 11.908 3.578 1.00 0.00 C ATOM 310 C GLY A 20 -0.422 10.644 2.718 1.00 0.00 C ATOM 311 O GLY A 20 -1.465 10.199 2.285 1.00 0.00 O ATOM 0 H GLY A 20 0.236 11.209 5.505 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.359 12.130 3.988 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.077 12.768 2.978 1.00 0.00 H new ATOM 315 N GLN A 22 0.719 10.062 2.495 1.00 0.00 N ATOM 316 CA GLN A 22 0.821 8.821 1.707 1.00 0.00 C ATOM 317 C GLN A 22 1.665 7.838 2.515 1.00 0.00 C ATOM 318 O GLN A 22 2.029 8.122 3.639 1.00 0.00 O ATOM 319 CB GLN A 22 1.476 9.138 0.362 1.00 0.00 C ATOM 320 CG GLN A 22 2.637 10.112 0.568 1.00 0.00 C ATOM 321 CD GLN A 22 2.998 10.758 -0.771 1.00 0.00 C ATOM 322 OE1 GLN A 22 3.292 11.936 -0.830 1.00 0.00 O ATOM 323 NE2 GLN A 22 2.990 10.032 -1.857 1.00 0.00 N ATOM 0 H GLN A 22 1.612 10.413 2.841 1.00 0.00 H new ATOM 0 HA GLN A 22 -0.158 8.385 1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.837 8.220 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.742 9.571 -0.317 1.00 0.00 H new ATOM 0 HG2 GLN A 22 2.360 10.878 1.292 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.500 9.586 0.976 1.00 0.00 H new ATOM 0 HE21 GLN A 22 2.743 9.043 -1.808 1.00 0.00 H new ATOM 0 HE22 GLN A 22 3.230 10.454 -2.754 1.00 0.00 H new ATOM 332 N LEU A 23 1.964 6.678 2.002 1.00 0.00 N ATOM 333 CA LEU A 23 2.749 5.731 2.821 1.00 0.00 C ATOM 334 C LEU A 23 4.184 5.612 2.366 1.00 0.00 C ATOM 335 O LEU A 23 4.454 5.191 1.259 1.00 0.00 O ATOM 336 CB LEU A 23 2.225 4.313 2.669 1.00 0.00 C ATOM 337 CG LEU A 23 0.728 4.213 2.830 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.339 2.849 2.259 1.00 0.00 C ATOM 339 CD2 LEU A 23 0.368 4.263 4.320 1.00 0.00 C ATOM 0 H LEU A 23 1.703 6.354 1.071 1.00 0.00 H new ATOM 0 HA LEU A 23 2.670 6.125 3.834 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.505 3.932 1.687 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.707 3.673 3.408 1.00 0.00 H new ATOM 0 HG LEU A 23 0.211 5.029 2.325 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.739 2.712 2.345 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.628 2.798 1.209 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.850 2.063 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.713 4.191 4.436 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.845 3.431 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.717 5.203 4.747 1.00 0.00 H new ATOM 351 N SER A 24 5.103 5.785 3.252 1.00 0.00 N ATOM 352 CA SER A 24 6.480 5.454 2.867 1.00 0.00 C ATOM 353 C SER A 24 6.418 3.938 3.003 1.00 0.00 C ATOM 354 O SER A 24 5.445 3.441 3.535 1.00 0.00 O ATOM 355 CB SER A 24 7.490 6.054 3.849 1.00 0.00 C ATOM 356 OG SER A 24 8.732 5.376 3.714 1.00 0.00 O ATOM 0 H SER A 24 4.967 6.132 4.202 1.00 0.00 H new ATOM 0 HA SER A 24 6.794 5.825 1.891 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.619 7.118 3.651 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.121 5.962 4.870 1.00 0.00 H new ATOM 0 HG SER A 24 9.383 5.758 4.340 1.00 0.00 H new ATOM 362 N LYS A 25 7.342 3.160 2.557 1.00 0.00 N ATOM 363 CA LYS A 25 7.103 1.704 2.758 1.00 0.00 C ATOM 364 C LYS A 25 6.865 1.420 4.243 1.00 0.00 C ATOM 365 O LYS A 25 6.359 0.378 4.609 1.00 0.00 O ATOM 366 CB LYS A 25 8.258 0.857 2.240 1.00 0.00 C ATOM 367 CG LYS A 25 7.837 0.207 0.929 1.00 0.00 C ATOM 368 CD LYS A 25 7.953 -1.313 1.065 1.00 0.00 C ATOM 369 CE LYS A 25 9.421 -1.732 0.935 1.00 0.00 C ATOM 370 NZ LYS A 25 9.871 -2.368 2.207 1.00 0.00 N ATOM 0 H LYS A 25 8.206 3.434 2.088 1.00 0.00 H new ATOM 0 HA LYS A 25 6.218 1.430 2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.142 1.476 2.088 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.525 0.094 2.971 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.812 0.486 0.683 1.00 0.00 H new ATOM 0 HG3 LYS A 25 8.468 0.561 0.114 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.557 -1.633 2.029 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.355 -1.803 0.297 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.539 -2.429 0.106 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.040 -0.863 0.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 10.867 -2.653 2.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.772 -1.689 2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 9.287 -3.207 2.401 1.00 0.00 H new ATOM 384 N GLU A 26 7.210 2.341 5.104 1.00 0.00 N ATOM 385 CA GLU A 26 6.985 2.121 6.559 1.00 0.00 C ATOM 386 C GLU A 26 5.504 1.807 6.810 1.00 0.00 C ATOM 387 O GLU A 26 5.175 0.981 7.631 1.00 0.00 O ATOM 388 CB GLU A 26 7.375 3.385 7.329 1.00 0.00 C ATOM 389 CG GLU A 26 8.836 3.284 7.772 1.00 0.00 C ATOM 390 CD GLU A 26 8.927 2.447 9.049 1.00 0.00 C ATOM 391 OE1 GLU A 26 7.938 1.819 9.393 1.00 0.00 O ATOM 392 OE2 GLU A 26 9.982 2.447 9.660 1.00 0.00 O ATOM 0 H GLU A 26 7.637 3.235 4.861 1.00 0.00 H new ATOM 0 HA GLU A 26 7.594 1.283 6.898 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.235 4.264 6.700 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.728 3.508 8.198 1.00 0.00 H new ATOM 0 HG2 GLU A 26 9.435 2.829 6.983 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.243 4.280 7.948 1.00 0.00 H new ATOM 399 N GLU A 27 4.612 2.471 6.119 1.00 0.00 N ATOM 400 CA GLU A 27 3.150 2.223 6.324 1.00 0.00 C ATOM 401 C GLU A 27 2.611 1.220 5.289 1.00 0.00 C ATOM 402 O GLU A 27 1.568 0.629 5.482 1.00 0.00 O ATOM 403 CB GLU A 27 2.393 3.547 6.199 1.00 0.00 C ATOM 404 CG GLU A 27 2.918 4.535 7.244 1.00 0.00 C ATOM 405 CD GLU A 27 3.700 5.649 6.548 1.00 0.00 C ATOM 406 OE1 GLU A 27 3.067 6.555 6.029 1.00 0.00 O ATOM 407 OE2 GLU A 27 4.918 5.579 6.545 1.00 0.00 O ATOM 0 H GLU A 27 4.834 3.178 5.418 1.00 0.00 H new ATOM 0 HA GLU A 27 3.003 1.800 7.318 1.00 0.00 H new ATOM 0 HB2 GLU A 27 2.521 3.958 5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.325 3.383 6.342 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.087 4.958 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.559 4.018 7.958 1.00 0.00 H new ATOM 414 N LEU A 28 3.302 1.017 4.196 1.00 0.00 N ATOM 415 CA LEU A 28 2.800 0.046 3.169 1.00 0.00 C ATOM 416 C LEU A 28 3.151 -1.385 3.584 1.00 0.00 C ATOM 417 O LEU A 28 2.278 -2.211 3.763 1.00 0.00 O ATOM 418 CB LEU A 28 3.424 0.362 1.804 1.00 0.00 C ATOM 419 CG LEU A 28 2.649 -0.356 0.694 1.00 0.00 C ATOM 420 CD1 LEU A 28 1.229 0.205 0.612 1.00 0.00 C ATOM 421 CD2 LEU A 28 3.360 -0.135 -0.646 1.00 0.00 C ATOM 0 H LEU A 28 4.184 1.475 3.969 1.00 0.00 H new ATOM 0 HA LEU A 28 1.716 0.137 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.412 1.438 1.630 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.468 0.049 1.791 1.00 0.00 H new ATOM 0 HG LEU A 28 2.605 -1.422 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.680 -0.308 -0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.722 0.051 1.564 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.271 1.272 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.811 -0.645 -1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 28 3.403 0.932 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.372 -0.535 -0.591 1.00 0.00 H new ATOM 433 N LYS A 29 4.411 -1.698 3.741 1.00 0.00 N ATOM 434 CA LYS A 29 4.772 -3.083 4.145 1.00 0.00 C ATOM 435 C LYS A 29 3.866 -3.528 5.291 1.00 0.00 C ATOM 436 O LYS A 29 3.625 -4.703 5.485 1.00 0.00 O ATOM 437 CB LYS A 29 6.234 -3.121 4.592 1.00 0.00 C ATOM 438 CG LYS A 29 6.616 -4.552 4.969 1.00 0.00 C ATOM 439 CD LYS A 29 7.845 -4.524 5.876 1.00 0.00 C ATOM 440 CE LYS A 29 7.637 -5.484 7.049 1.00 0.00 C ATOM 441 NZ LYS A 29 7.701 -6.890 6.557 1.00 0.00 N ATOM 0 H LYS A 29 5.196 -1.060 3.608 1.00 0.00 H new ATOM 0 HA LYS A 29 4.640 -3.758 3.299 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.879 -2.760 3.791 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.382 -2.458 5.444 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.785 -5.040 5.478 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.826 -5.133 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.733 -4.810 5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.014 -3.513 6.246 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.401 -5.318 7.809 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.672 -5.296 7.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.594 -7.544 7.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.936 -7.053 5.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 8.619 -7.055 6.096 1.00 0.00 H new ATOM 455 N LEU A 30 3.343 -2.599 6.040 1.00 0.00 N ATOM 456 CA LEU A 30 2.434 -2.974 7.154 1.00 0.00 C ATOM 457 C LEU A 30 1.031 -3.163 6.588 1.00 0.00 C ATOM 458 O LEU A 30 0.363 -4.136 6.861 1.00 0.00 O ATOM 459 CB LEU A 30 2.419 -1.865 8.204 1.00 0.00 C ATOM 460 CG LEU A 30 3.799 -1.215 8.278 1.00 0.00 C ATOM 461 CD1 LEU A 30 3.815 -0.197 9.422 1.00 0.00 C ATOM 462 CD2 LEU A 30 4.856 -2.292 8.542 1.00 0.00 C ATOM 0 H LEU A 30 3.506 -1.598 5.928 1.00 0.00 H new ATOM 0 HA LEU A 30 2.778 -3.897 7.622 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.667 -1.118 7.949 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.145 -2.274 9.177 1.00 0.00 H new ATOM 0 HG LEU A 30 4.019 -0.713 7.336 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.798 0.270 9.480 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.060 0.568 9.239 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.598 -0.703 10.363 1.00 0.00 H new ATOM 0 HD21 LEU A 30 5.842 -1.829 8.595 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.638 -2.792 9.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.841 -3.022 7.733 1.00 0.00 H new ATOM 474 N LEU A 31 0.584 -2.233 5.792 1.00 0.00 N ATOM 475 CA LEU A 31 -0.770 -2.347 5.193 1.00 0.00 C ATOM 476 C LEU A 31 -1.017 -3.782 4.708 1.00 0.00 C ATOM 477 O LEU A 31 -2.083 -4.330 4.902 1.00 0.00 O ATOM 478 CB LEU A 31 -0.867 -1.388 4.004 1.00 0.00 C ATOM 479 CG LEU A 31 -2.206 -1.577 3.291 1.00 0.00 C ATOM 480 CD1 LEU A 31 -3.206 -0.543 3.806 1.00 0.00 C ATOM 481 CD2 LEU A 31 -2.008 -1.386 1.785 1.00 0.00 C ATOM 0 H LEU A 31 1.103 -1.395 5.530 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.519 -2.095 5.944 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.770 -0.358 4.347 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.047 -1.571 3.310 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.586 -2.580 3.486 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.161 -0.677 3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.344 -0.673 4.879 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.827 0.460 3.608 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.961 -1.520 1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.630 -0.382 1.592 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.292 -2.120 1.416 1.00 0.00 H new ATOM 493 N LEU A 32 -0.057 -4.385 4.051 1.00 0.00 N ATOM 494 CA LEU A 32 -0.249 -5.755 3.524 1.00 0.00 C ATOM 495 C LEU A 32 -0.166 -6.815 4.632 1.00 0.00 C ATOM 496 O LEU A 32 -1.054 -7.631 4.787 1.00 0.00 O ATOM 497 CB LEU A 32 0.850 -6.002 2.504 1.00 0.00 C ATOM 498 CG LEU A 32 1.024 -4.761 1.630 1.00 0.00 C ATOM 499 CD1 LEU A 32 2.432 -4.199 1.818 1.00 0.00 C ATOM 500 CD2 LEU A 32 0.820 -5.144 0.162 1.00 0.00 C ATOM 0 H LEU A 32 0.857 -3.976 3.860 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.241 -5.834 3.080 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.786 -6.236 3.012 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.599 -6.863 1.885 1.00 0.00 H new ATOM 0 HG LEU A 32 0.291 -4.007 1.917 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.557 -3.314 1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.580 -3.930 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.166 -4.952 1.530 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.943 -4.261 -0.465 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.555 -5.897 -0.123 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.184 -5.547 0.027 1.00 0.00 H new ATOM 512 N GLN A 33 0.903 -6.838 5.373 1.00 0.00 N ATOM 513 CA GLN A 33 1.060 -7.874 6.436 1.00 0.00 C ATOM 514 C GLN A 33 -0.154 -7.913 7.371 1.00 0.00 C ATOM 515 O GLN A 33 -0.483 -8.944 7.924 1.00 0.00 O ATOM 516 CB GLN A 33 2.311 -7.560 7.257 1.00 0.00 C ATOM 517 CG GLN A 33 2.029 -6.390 8.202 1.00 0.00 C ATOM 518 CD GLN A 33 3.242 -6.158 9.105 1.00 0.00 C ATOM 519 OE1 GLN A 33 4.356 -6.474 8.736 1.00 0.00 O ATOM 520 NE2 GLN A 33 3.074 -5.618 10.281 1.00 0.00 N ATOM 0 H GLN A 33 1.680 -6.182 5.290 1.00 0.00 H new ATOM 0 HA GLN A 33 1.148 -8.847 5.952 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.612 -8.438 7.829 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.140 -7.313 6.594 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.812 -5.489 7.628 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.147 -6.602 8.807 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.139 -5.352 10.591 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.877 -5.461 10.890 1.00 0.00 H new ATOM 529 N THR A 34 -0.798 -6.806 7.585 1.00 0.00 N ATOM 530 CA THR A 34 -1.958 -6.801 8.525 1.00 0.00 C ATOM 531 C THR A 34 -3.291 -6.670 7.779 1.00 0.00 C ATOM 532 O THR A 34 -4.343 -6.805 8.372 1.00 0.00 O ATOM 533 CB THR A 34 -1.811 -5.623 9.490 1.00 0.00 C ATOM 534 OG1 THR A 34 -0.644 -4.884 9.157 1.00 0.00 O ATOM 535 CG2 THR A 34 -1.695 -6.145 10.920 1.00 0.00 C ATOM 0 H THR A 34 -0.578 -5.907 7.156 1.00 0.00 H new ATOM 0 HA THR A 34 -1.962 -7.748 9.065 1.00 0.00 H new ATOM 0 HB THR A 34 -2.686 -4.977 9.412 1.00 0.00 H new ATOM 0 HG1 THR A 34 -0.767 -4.454 8.285 1.00 0.00 H new ATOM 0 HG21 THR A 34 -1.590 -5.305 11.607 1.00 0.00 H new ATOM 0 HG22 THR A 34 -2.591 -6.712 11.174 1.00 0.00 H new ATOM 0 HG23 THR A 34 -0.821 -6.791 11.002 1.00 0.00 H new ATOM 543 N GLU A 35 -3.280 -6.393 6.505 1.00 0.00 N ATOM 544 CA GLU A 35 -4.582 -6.249 5.791 1.00 0.00 C ATOM 545 C GLU A 35 -4.529 -6.912 4.412 1.00 0.00 C ATOM 546 O GLU A 35 -5.418 -7.651 4.041 1.00 0.00 O ATOM 547 CB GLU A 35 -4.905 -4.762 5.621 1.00 0.00 C ATOM 548 CG GLU A 35 -4.802 -4.054 6.974 1.00 0.00 C ATOM 549 CD GLU A 35 -3.607 -3.100 6.961 1.00 0.00 C ATOM 550 OE1 GLU A 35 -3.597 -2.209 6.128 1.00 0.00 O ATOM 551 OE2 GLU A 35 -2.725 -3.276 7.786 1.00 0.00 O ATOM 0 H GLU A 35 -2.444 -6.262 5.935 1.00 0.00 H new ATOM 0 HA GLU A 35 -5.355 -6.739 6.383 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.215 -4.309 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -5.908 -4.642 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.719 -3.502 7.178 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.687 -4.787 7.772 1.00 0.00 H new ATOM 558 N PHE A 36 -3.515 -6.640 3.641 1.00 0.00 N ATOM 559 CA PHE A 36 -3.443 -7.246 2.280 1.00 0.00 C ATOM 560 C PHE A 36 -2.358 -8.331 2.227 1.00 0.00 C ATOM 561 O PHE A 36 -1.257 -8.081 1.778 1.00 0.00 O ATOM 562 CB PHE A 36 -3.131 -6.152 1.254 1.00 0.00 C ATOM 563 CG PHE A 36 -4.370 -5.328 1.008 1.00 0.00 C ATOM 564 CD1 PHE A 36 -5.618 -5.947 0.864 1.00 0.00 C ATOM 565 CD2 PHE A 36 -4.266 -3.937 0.942 1.00 0.00 C ATOM 566 CE1 PHE A 36 -6.762 -5.167 0.652 1.00 0.00 C ATOM 567 CE2 PHE A 36 -5.408 -3.157 0.734 1.00 0.00 C ATOM 568 CZ PHE A 36 -6.656 -3.772 0.588 1.00 0.00 C ATOM 0 H PHE A 36 -2.737 -6.029 3.890 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.403 -7.707 2.048 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.324 -5.516 1.618 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.788 -6.600 0.321 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.698 -7.023 0.916 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.302 -3.463 1.052 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -7.726 -5.641 0.538 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.327 -2.081 0.686 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.538 -3.171 0.426 1.00 0.00 H new ATOM 578 N PRO A 37 -2.712 -9.511 2.678 1.00 0.00 N ATOM 579 CA PRO A 37 -1.792 -10.676 2.685 1.00 0.00 C ATOM 580 C PRO A 37 -1.548 -11.191 1.264 1.00 0.00 C ATOM 581 O PRO A 37 -0.454 -11.590 0.915 1.00 0.00 O ATOM 582 CB PRO A 37 -2.565 -11.750 3.450 1.00 0.00 C ATOM 583 CG PRO A 37 -4.047 -11.329 3.386 1.00 0.00 C ATOM 584 CD PRO A 37 -4.054 -9.801 3.229 1.00 0.00 C ATOM 0 HA PRO A 37 -0.825 -10.421 3.118 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.418 -12.732 3.001 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.222 -11.817 4.482 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.552 -11.808 2.547 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.576 -11.630 4.290 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.845 -9.469 2.557 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.215 -9.299 4.183 1.00 0.00 H new ATOM 592 N SER A 38 -2.583 -11.235 0.464 1.00 0.00 N ATOM 593 CA SER A 38 -2.460 -11.773 -0.909 1.00 0.00 C ATOM 594 C SER A 38 -1.125 -11.360 -1.534 1.00 0.00 C ATOM 595 O SER A 38 -0.519 -12.115 -2.268 1.00 0.00 O ATOM 596 CB SER A 38 -3.613 -11.251 -1.769 1.00 0.00 C ATOM 597 OG SER A 38 -4.741 -11.004 -0.941 1.00 0.00 O ATOM 0 H SER A 38 -3.518 -10.914 0.715 1.00 0.00 H new ATOM 0 HA SER A 38 -2.500 -12.861 -0.862 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.315 -10.336 -2.280 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.866 -11.979 -2.540 1.00 0.00 H new ATOM 0 HG SER A 38 -5.532 -11.431 -1.331 1.00 0.00 H new ATOM 603 N LEU A 39 -0.651 -10.179 -1.245 1.00 0.00 N ATOM 604 CA LEU A 39 0.651 -9.749 -1.825 1.00 0.00 C ATOM 605 C LEU A 39 1.778 -10.455 -1.078 1.00 0.00 C ATOM 606 O LEU A 39 2.670 -11.027 -1.671 1.00 0.00 O ATOM 607 CB LEU A 39 0.808 -8.234 -1.678 1.00 0.00 C ATOM 608 CG LEU A 39 -0.410 -7.521 -2.274 1.00 0.00 C ATOM 609 CD1 LEU A 39 -0.051 -6.063 -2.559 1.00 0.00 C ATOM 610 CD2 LEU A 39 -0.832 -8.204 -3.581 1.00 0.00 C ATOM 0 H LEU A 39 -1.106 -9.498 -0.637 1.00 0.00 H new ATOM 0 HA LEU A 39 0.687 -10.008 -2.883 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.914 -7.972 -0.625 1.00 0.00 H new ATOM 0 HB3 LEU A 39 1.716 -7.904 -2.182 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.235 -7.568 -1.564 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.915 -5.552 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 39 0.241 -5.572 -1.631 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.777 -6.024 -3.267 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.699 -7.690 -3.997 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.009 -8.164 -4.295 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -1.089 -9.244 -3.381 1.00 0.00 H new ATOM 622 N LEU A 40 1.734 -10.432 0.225 1.00 0.00 N ATOM 623 CA LEU A 40 2.791 -11.113 1.019 1.00 0.00 C ATOM 624 C LEU A 40 2.323 -12.528 1.359 1.00 0.00 C ATOM 625 O LEU A 40 2.585 -13.043 2.428 1.00 0.00 O ATOM 626 CB LEU A 40 3.048 -10.332 2.296 1.00 0.00 C ATOM 627 CG LEU A 40 1.744 -10.154 3.046 1.00 0.00 C ATOM 628 CD1 LEU A 40 1.914 -10.708 4.450 1.00 0.00 C ATOM 629 CD2 LEU A 40 1.411 -8.670 3.109 1.00 0.00 C ATOM 0 H LEU A 40 1.009 -9.970 0.774 1.00 0.00 H new ATOM 0 HA LEU A 40 3.715 -11.164 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.770 -10.860 2.919 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.481 -9.360 2.060 1.00 0.00 H new ATOM 0 HG LEU A 40 0.935 -10.682 2.541 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.983 -10.587 5.004 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.169 -11.766 4.395 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.712 -10.168 4.960 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.473 -8.530 3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.210 -8.140 3.627 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.311 -8.276 2.098 1.00 0.00 H new ATOM 641 N LYS A 41 1.622 -13.157 0.454 1.00 0.00 N ATOM 642 CA LYS A 41 1.123 -14.537 0.714 1.00 0.00 C ATOM 643 C LYS A 41 1.560 -15.458 -0.428 1.00 0.00 C ATOM 644 O LYS A 41 0.784 -16.244 -0.932 1.00 0.00 O ATOM 645 CB LYS A 41 -0.408 -14.510 0.798 1.00 0.00 C ATOM 646 CG LYS A 41 -0.927 -15.876 1.257 1.00 0.00 C ATOM 647 CD LYS A 41 -2.421 -15.769 1.576 1.00 0.00 C ATOM 648 CE LYS A 41 -3.161 -16.965 0.973 1.00 0.00 C ATOM 649 NZ LYS A 41 -3.204 -16.826 -0.510 1.00 0.00 N ATOM 0 H LYS A 41 1.373 -12.772 -0.457 1.00 0.00 H new ATOM 0 HA LYS A 41 1.533 -14.908 1.653 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.729 -13.736 1.495 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.830 -14.259 -0.175 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.762 -16.621 0.478 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.378 -16.209 2.138 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.572 -15.742 2.655 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.823 -14.839 1.174 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.659 -17.893 1.248 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.173 -17.019 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.009 -17.367 -0.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.313 -15.823 -0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.320 -17.191 -0.919 1.00 0.00 H new ATOM 663 N GLY A 42 2.798 -15.369 -0.841 1.00 0.00 N ATOM 664 CA GLY A 42 3.268 -16.246 -1.951 1.00 0.00 C ATOM 665 C GLY A 42 4.755 -16.003 -2.225 1.00 0.00 C ATOM 666 O GLY A 42 5.599 -16.800 -1.867 1.00 0.00 O ATOM 0 H GLY A 42 3.498 -14.732 -0.460 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.105 -17.292 -1.691 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.688 -16.047 -2.852 1.00 0.00 H new ATOM 670 N MET A 43 5.083 -14.915 -2.868 1.00 0.00 N ATOM 671 CA MET A 43 6.515 -14.636 -3.174 1.00 0.00 C ATOM 672 C MET A 43 7.117 -13.748 -2.075 1.00 0.00 C ATOM 673 O MET A 43 7.284 -14.177 -0.951 1.00 0.00 O ATOM 674 CB MET A 43 6.610 -13.941 -4.533 1.00 0.00 C ATOM 675 CG MET A 43 6.406 -14.968 -5.647 1.00 0.00 C ATOM 676 SD MET A 43 7.315 -14.447 -7.122 1.00 0.00 S ATOM 677 CE MET A 43 7.607 -16.100 -7.797 1.00 0.00 C ATOM 0 H MET A 43 4.423 -14.209 -3.194 1.00 0.00 H new ATOM 0 HA MET A 43 7.075 -15.571 -3.210 1.00 0.00 H new ATOM 0 HB2 MET A 43 5.857 -13.156 -4.605 1.00 0.00 H new ATOM 0 HB3 MET A 43 7.583 -13.461 -4.640 1.00 0.00 H new ATOM 0 HG2 MET A 43 6.753 -15.948 -5.320 1.00 0.00 H new ATOM 0 HG3 MET A 43 5.345 -15.066 -5.876 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.165 -16.019 -8.730 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.180 -16.689 -7.081 1.00 0.00 H new ATOM 0 HE3 MET A 43 6.652 -16.589 -7.988 1.00 0.00 H new ATOM 687 N SER A 44 7.444 -12.517 -2.379 1.00 0.00 N ATOM 688 CA SER A 44 8.029 -11.626 -1.339 1.00 0.00 C ATOM 689 C SER A 44 7.347 -10.263 -1.417 1.00 0.00 C ATOM 690 O SER A 44 7.018 -9.787 -2.484 1.00 0.00 O ATOM 691 CB SER A 44 9.529 -11.465 -1.587 1.00 0.00 C ATOM 692 OG SER A 44 9.734 -10.917 -2.883 1.00 0.00 O ATOM 0 H SER A 44 7.330 -12.094 -3.300 1.00 0.00 H new ATOM 0 HA SER A 44 7.876 -12.060 -0.351 1.00 0.00 H new ATOM 0 HB2 SER A 44 9.967 -10.814 -0.831 1.00 0.00 H new ATOM 0 HB3 SER A 44 10.029 -12.430 -1.504 1.00 0.00 H new ATOM 0 HG SER A 44 10.695 -10.811 -3.045 1.00 0.00 H new ATOM 698 N THR A 45 7.110 -9.637 -0.299 1.00 0.00 N ATOM 699 CA THR A 45 6.429 -8.324 -0.324 1.00 0.00 C ATOM 700 C THR A 45 7.401 -7.209 0.037 1.00 0.00 C ATOM 701 O THR A 45 7.200 -6.067 -0.310 1.00 0.00 O ATOM 702 CB THR A 45 5.300 -8.358 0.693 1.00 0.00 C ATOM 703 OG1 THR A 45 5.432 -9.529 1.488 1.00 0.00 O ATOM 704 CG2 THR A 45 3.959 -8.376 -0.032 1.00 0.00 C ATOM 0 H THR A 45 7.360 -9.981 0.628 1.00 0.00 H new ATOM 0 HA THR A 45 6.043 -8.131 -1.325 1.00 0.00 H new ATOM 0 HB THR A 45 5.348 -7.474 1.329 1.00 0.00 H new ATOM 0 HG1 THR A 45 5.542 -9.275 2.428 1.00 0.00 H new ATOM 0 HG21 THR A 45 3.151 -8.400 0.699 1.00 0.00 H new ATOM 0 HG22 THR A 45 3.866 -7.481 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 45 3.901 -9.260 -0.667 1.00 0.00 H new ATOM 712 N LEU A 46 8.436 -7.545 0.734 1.00 0.00 N ATOM 713 CA LEU A 46 9.448 -6.525 1.157 1.00 0.00 C ATOM 714 C LEU A 46 9.601 -5.452 0.074 1.00 0.00 C ATOM 715 O LEU A 46 8.854 -4.494 0.035 1.00 0.00 O ATOM 716 CB LEU A 46 10.795 -7.208 1.403 1.00 0.00 C ATOM 717 CG LEU A 46 10.997 -7.395 2.910 1.00 0.00 C ATOM 718 CD1 LEU A 46 10.203 -8.611 3.388 1.00 0.00 C ATOM 719 CD2 LEU A 46 12.482 -7.611 3.203 1.00 0.00 C ATOM 0 H LEU A 46 8.638 -8.497 1.040 1.00 0.00 H new ATOM 0 HA LEU A 46 9.110 -6.050 2.078 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.825 -8.173 0.897 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.603 -6.606 0.988 1.00 0.00 H new ATOM 0 HG LEU A 46 10.647 -6.505 3.434 1.00 0.00 H new ATOM 0 HD11 LEU A 46 10.348 -8.742 4.460 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.144 -8.458 3.181 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.550 -9.501 2.864 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.626 -7.744 4.275 1.00 0.00 H new ATOM 0 HD22 LEU A 46 12.831 -8.500 2.677 1.00 0.00 H new ATOM 0 HD23 LEU A 46 13.049 -6.744 2.866 1.00 0.00 H new ATOM 731 N ASP A 47 10.537 -5.612 -0.821 1.00 0.00 N ATOM 732 CA ASP A 47 10.696 -4.624 -1.920 1.00 0.00 C ATOM 733 C ASP A 47 9.772 -5.055 -3.032 1.00 0.00 C ATOM 734 O ASP A 47 10.192 -5.463 -4.097 1.00 0.00 O ATOM 735 CB ASP A 47 12.106 -4.625 -2.445 1.00 0.00 C ATOM 736 CG ASP A 47 12.886 -3.447 -1.857 1.00 0.00 C ATOM 737 OD1 ASP A 47 12.282 -2.656 -1.152 1.00 0.00 O ATOM 738 OD2 ASP A 47 14.073 -3.358 -2.122 1.00 0.00 O ATOM 0 H ASP A 47 11.199 -6.387 -0.837 1.00 0.00 H new ATOM 0 HA ASP A 47 10.467 -3.623 -1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.598 -5.563 -2.186 1.00 0.00 H new ATOM 0 HB3 ASP A 47 12.097 -4.559 -3.533 1.00 0.00 H new ATOM 743 N GLU A 48 8.531 -5.027 -2.765 1.00 0.00 N ATOM 744 CA GLU A 48 7.548 -5.488 -3.731 1.00 0.00 C ATOM 745 C GLU A 48 6.322 -4.598 -3.636 1.00 0.00 C ATOM 746 O GLU A 48 5.828 -4.107 -4.624 1.00 0.00 O ATOM 747 CB GLU A 48 7.224 -6.920 -3.350 1.00 0.00 C ATOM 748 CG GLU A 48 7.362 -7.823 -4.570 1.00 0.00 C ATOM 749 CD GLU A 48 6.053 -7.825 -5.361 1.00 0.00 C ATOM 750 OE1 GLU A 48 5.198 -7.010 -5.057 1.00 0.00 O ATOM 751 OE2 GLU A 48 5.928 -8.642 -6.259 1.00 0.00 O ATOM 0 H GLU A 48 8.140 -4.692 -1.885 1.00 0.00 H new ATOM 0 HA GLU A 48 7.910 -5.445 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.895 -7.256 -2.560 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.210 -6.980 -2.954 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.179 -7.475 -5.202 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.611 -8.837 -4.257 1.00 0.00 H new ATOM 758 N LEU A 49 5.846 -4.364 -2.451 1.00 0.00 N ATOM 759 CA LEU A 49 4.677 -3.470 -2.298 1.00 0.00 C ATOM 760 C LEU A 49 5.115 -2.053 -2.676 1.00 0.00 C ATOM 761 O LEU A 49 4.317 -1.248 -3.114 1.00 0.00 O ATOM 762 CB LEU A 49 4.170 -3.500 -0.851 1.00 0.00 C ATOM 763 CG LEU A 49 5.347 -3.395 0.122 1.00 0.00 C ATOM 764 CD1 LEU A 49 5.113 -2.240 1.096 1.00 0.00 C ATOM 765 CD2 LEU A 49 5.466 -4.700 0.907 1.00 0.00 C ATOM 0 H LEU A 49 6.216 -4.753 -1.584 1.00 0.00 H new ATOM 0 HA LEU A 49 3.864 -3.799 -2.945 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.476 -2.677 -0.684 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.620 -4.423 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 49 6.264 -3.213 -0.438 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.954 -2.170 1.786 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.022 -1.307 0.539 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.196 -2.418 1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.303 -4.632 1.602 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.545 -4.875 1.464 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.635 -5.526 0.216 1.00 0.00 H new ATOM 777 N PHE A 50 6.386 -1.744 -2.546 1.00 0.00 N ATOM 778 CA PHE A 50 6.855 -0.387 -2.942 1.00 0.00 C ATOM 779 C PHE A 50 7.033 -0.378 -4.448 1.00 0.00 C ATOM 780 O PHE A 50 6.486 0.448 -5.152 1.00 0.00 O ATOM 781 CB PHE A 50 8.186 -0.092 -2.268 1.00 0.00 C ATOM 782 CG PHE A 50 8.325 1.394 -2.023 1.00 0.00 C ATOM 783 CD1 PHE A 50 7.362 2.077 -1.271 1.00 0.00 C ATOM 784 CD2 PHE A 50 9.422 2.087 -2.552 1.00 0.00 C ATOM 785 CE1 PHE A 50 7.496 3.454 -1.049 1.00 0.00 C ATOM 786 CE2 PHE A 50 9.554 3.465 -2.329 1.00 0.00 C ATOM 787 CZ PHE A 50 8.592 4.147 -1.578 1.00 0.00 C ATOM 0 H PHE A 50 7.107 -2.369 -2.186 1.00 0.00 H new ATOM 0 HA PHE A 50 6.133 0.371 -2.639 1.00 0.00 H new ATOM 0 HB2 PHE A 50 8.252 -0.632 -1.324 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.006 -0.444 -2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.517 1.543 -0.862 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.166 1.560 -3.131 1.00 0.00 H new ATOM 0 HE1 PHE A 50 6.753 3.982 -0.469 1.00 0.00 H new ATOM 0 HE2 PHE A 50 10.399 4.000 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 50 8.694 5.208 -1.406 1.00 0.00 H new ATOM 797 N GLU A 51 7.764 -1.327 -4.950 1.00 0.00 N ATOM 798 CA GLU A 51 7.948 -1.417 -6.422 1.00 0.00 C ATOM 799 C GLU A 51 6.636 -1.929 -7.027 1.00 0.00 C ATOM 800 O GLU A 51 6.483 -2.022 -8.229 1.00 0.00 O ATOM 801 CB GLU A 51 9.083 -2.392 -6.745 1.00 0.00 C ATOM 802 CG GLU A 51 8.690 -3.800 -6.296 1.00 0.00 C ATOM 803 CD GLU A 51 8.982 -4.792 -7.423 1.00 0.00 C ATOM 804 OE1 GLU A 51 9.829 -4.489 -8.247 1.00 0.00 O ATOM 805 OE2 GLU A 51 8.356 -5.838 -7.442 1.00 0.00 O ATOM 0 H GLU A 51 8.243 -2.045 -4.406 1.00 0.00 H new ATOM 0 HA GLU A 51 8.203 -0.441 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 51 9.289 -2.385 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 51 9.998 -2.081 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 51 9.246 -4.076 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 51 7.632 -3.829 -6.036 1.00 0.00 H new ATOM 812 N GLU A 52 5.691 -2.265 -6.185 1.00 0.00 N ATOM 813 CA GLU A 52 4.380 -2.776 -6.664 1.00 0.00 C ATOM 814 C GLU A 52 3.637 -1.679 -7.421 1.00 0.00 C ATOM 815 O GLU A 52 2.971 -1.941 -8.402 1.00 0.00 O ATOM 816 CB GLU A 52 3.537 -3.198 -5.462 1.00 0.00 C ATOM 817 CG GLU A 52 3.471 -4.725 -5.380 1.00 0.00 C ATOM 818 CD GLU A 52 2.127 -5.207 -5.928 1.00 0.00 C ATOM 819 OE1 GLU A 52 1.488 -4.442 -6.632 1.00 0.00 O ATOM 820 OE2 GLU A 52 1.759 -6.332 -5.633 1.00 0.00 O ATOM 0 H GLU A 52 5.779 -2.204 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 52 4.549 -3.625 -7.326 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.968 -2.795 -4.546 1.00 0.00 H new ATOM 0 HB3 GLU A 52 2.532 -2.786 -5.550 1.00 0.00 H new ATOM 0 HG2 GLU A 52 4.288 -5.166 -5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.592 -5.050 -4.347 1.00 0.00 H new ATOM 827 N LEU A 53 3.744 -0.449 -6.991 1.00 0.00 N ATOM 828 CA LEU A 53 3.055 0.624 -7.694 1.00 0.00 C ATOM 829 C LEU A 53 4.082 1.279 -8.578 1.00 0.00 C ATOM 830 O LEU A 53 3.775 1.817 -9.623 1.00 0.00 O ATOM 831 CB LEU A 53 2.536 1.624 -6.672 1.00 0.00 C ATOM 832 CG LEU A 53 2.056 0.883 -5.422 1.00 0.00 C ATOM 833 CD1 LEU A 53 2.989 1.198 -4.251 1.00 0.00 C ATOM 834 CD2 LEU A 53 0.636 1.337 -5.074 1.00 0.00 C ATOM 0 H LEU A 53 4.286 -0.160 -6.177 1.00 0.00 H new ATOM 0 HA LEU A 53 2.213 0.256 -8.281 1.00 0.00 H new ATOM 0 HB2 LEU A 53 3.323 2.330 -6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 53 1.718 2.204 -7.099 1.00 0.00 H new ATOM 0 HG LEU A 53 2.060 -0.190 -5.613 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.647 0.670 -3.361 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.002 0.877 -4.496 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.984 2.271 -4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.293 0.810 -4.184 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.634 2.410 -4.884 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.031 1.115 -5.907 1.00 0.00 H new ATOM 846 N ASP A 54 5.328 1.210 -8.166 1.00 0.00 N ATOM 847 CA ASP A 54 6.406 1.800 -8.976 1.00 0.00 C ATOM 848 C ASP A 54 5.933 3.138 -9.503 1.00 0.00 C ATOM 849 O ASP A 54 6.322 3.604 -10.554 1.00 0.00 O ATOM 850 CB ASP A 54 6.572 0.844 -10.089 1.00 0.00 C ATOM 851 CG ASP A 54 7.507 1.405 -11.161 1.00 0.00 C ATOM 852 OD1 ASP A 54 8.280 2.291 -10.839 1.00 0.00 O ATOM 853 OD2 ASP A 54 7.435 0.938 -12.285 1.00 0.00 O ATOM 0 H ASP A 54 5.630 0.766 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 54 7.334 1.964 -8.427 1.00 0.00 H new ATOM 0 HB2 ASP A 54 6.972 -0.096 -9.709 1.00 0.00 H new ATOM 0 HB3 ASP A 54 5.600 0.622 -10.530 1.00 0.00 H new ATOM 858 N LYS A 55 5.058 3.715 -8.765 1.00 0.00 N ATOM 859 CA LYS A 55 4.448 5.000 -9.137 1.00 0.00 C ATOM 860 C LYS A 55 5.469 5.923 -9.813 1.00 0.00 C ATOM 861 O LYS A 55 5.729 5.803 -10.994 1.00 0.00 O ATOM 862 CB LYS A 55 3.918 5.638 -7.860 1.00 0.00 C ATOM 863 CG LYS A 55 4.854 5.330 -6.685 1.00 0.00 C ATOM 864 CD LYS A 55 4.991 6.571 -5.799 1.00 0.00 C ATOM 865 CE LYS A 55 6.395 6.614 -5.190 1.00 0.00 C ATOM 866 NZ LYS A 55 6.504 5.593 -4.111 1.00 0.00 N ATOM 0 H LYS A 55 4.724 3.334 -7.880 1.00 0.00 H new ATOM 0 HA LYS A 55 3.642 4.838 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 55 3.832 6.716 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 55 2.918 5.262 -7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 55 4.461 4.497 -6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.833 5.026 -7.056 1.00 0.00 H new ATOM 0 HD2 LYS A 55 4.811 7.471 -6.386 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.241 6.550 -5.008 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.142 6.424 -5.960 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.597 7.606 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.414 5.703 -3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.727 5.721 -3.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.447 4.641 -4.527 1.00 0.00 H new ATOM 880 N ASN A 56 6.034 6.858 -9.099 1.00 0.00 N ATOM 881 CA ASN A 56 7.010 7.782 -9.749 1.00 0.00 C ATOM 882 C ASN A 56 8.202 8.016 -8.824 1.00 0.00 C ATOM 883 O ASN A 56 8.645 9.134 -8.646 1.00 0.00 O ATOM 884 CB ASN A 56 6.332 9.129 -10.038 1.00 0.00 C ATOM 885 CG ASN A 56 4.812 8.932 -10.169 1.00 0.00 C ATOM 886 OD1 ASN A 56 4.371 8.007 -10.822 1.00 0.00 O ATOM 887 ND2 ASN A 56 3.982 9.761 -9.583 1.00 0.00 N ATOM 0 H ASN A 56 5.866 7.022 -8.106 1.00 0.00 H new ATOM 0 HA ASN A 56 7.354 7.332 -10.681 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.548 9.835 -9.236 1.00 0.00 H new ATOM 0 HB3 ASN A 56 6.732 9.558 -10.956 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.975 9.626 -9.677 1.00 0.00 H new ATOM 0 HD22 ASN A 56 4.343 10.540 -9.033 1.00 0.00 H new ATOM 894 N GLY A 57 8.727 6.980 -8.232 1.00 0.00 N ATOM 895 CA GLY A 57 9.890 7.163 -7.321 1.00 0.00 C ATOM 896 C GLY A 57 9.631 8.368 -6.416 1.00 0.00 C ATOM 897 O GLY A 57 10.543 9.066 -6.015 1.00 0.00 O ATOM 0 H GLY A 57 8.403 6.019 -8.339 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.041 6.267 -6.720 1.00 0.00 H new ATOM 0 HA3 GLY A 57 10.801 7.316 -7.900 1.00 0.00 H new ATOM 901 N ASP A 58 8.389 8.622 -6.099 1.00 0.00 N ATOM 902 CA ASP A 58 8.067 9.788 -5.230 1.00 0.00 C ATOM 903 C ASP A 58 8.358 9.449 -3.760 1.00 0.00 C ATOM 904 O ASP A 58 8.042 10.212 -2.868 1.00 0.00 O ATOM 905 CB ASP A 58 6.586 10.184 -5.399 1.00 0.00 C ATOM 906 CG ASP A 58 6.298 11.436 -4.568 1.00 0.00 C ATOM 907 OD1 ASP A 58 6.616 12.517 -5.034 1.00 0.00 O ATOM 908 OD2 ASP A 58 5.765 11.292 -3.480 1.00 0.00 O ATOM 0 H ASP A 58 7.586 8.073 -6.404 1.00 0.00 H new ATOM 0 HA ASP A 58 8.692 10.630 -5.527 1.00 0.00 H new ATOM 0 HB2 ASP A 58 6.366 10.373 -6.450 1.00 0.00 H new ATOM 0 HB3 ASP A 58 5.940 9.366 -5.080 1.00 0.00 H new ATOM 913 N GLY A 59 8.985 8.327 -3.496 1.00 0.00 N ATOM 914 CA GLY A 59 9.324 7.968 -2.087 1.00 0.00 C ATOM 915 C GLY A 59 8.079 7.558 -1.288 1.00 0.00 C ATOM 916 O GLY A 59 8.192 7.081 -0.177 1.00 0.00 O ATOM 0 H GLY A 59 9.276 7.646 -4.197 1.00 0.00 H new ATOM 0 HA2 GLY A 59 10.044 7.150 -2.084 1.00 0.00 H new ATOM 0 HA3 GLY A 59 9.804 8.817 -1.601 1.00 0.00 H new ATOM 920 N GLU A 60 6.894 7.737 -1.814 1.00 0.00 N ATOM 921 CA GLU A 60 5.682 7.350 -1.028 1.00 0.00 C ATOM 922 C GLU A 60 4.491 7.113 -1.962 1.00 0.00 C ATOM 923 O GLU A 60 4.519 7.457 -3.127 1.00 0.00 O ATOM 924 CB GLU A 60 5.330 8.464 -0.035 1.00 0.00 C ATOM 925 CG GLU A 60 6.601 9.199 0.399 1.00 0.00 C ATOM 926 CD GLU A 60 6.228 10.413 1.251 1.00 0.00 C ATOM 927 OE1 GLU A 60 5.577 10.223 2.266 1.00 0.00 O ATOM 928 OE2 GLU A 60 6.601 11.511 0.876 1.00 0.00 O ATOM 0 H GLU A 60 6.713 8.128 -2.739 1.00 0.00 H new ATOM 0 HA GLU A 60 5.900 6.429 -0.487 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.633 9.165 -0.494 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.829 8.041 0.836 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.245 8.528 0.967 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.166 9.517 -0.477 1.00 0.00 H new ATOM 935 N VAL A 61 3.446 6.519 -1.453 1.00 0.00 N ATOM 936 CA VAL A 61 2.248 6.245 -2.295 1.00 0.00 C ATOM 937 C VAL A 61 0.990 6.666 -1.547 1.00 0.00 C ATOM 938 O VAL A 61 0.565 6.034 -0.600 1.00 0.00 O ATOM 939 CB VAL A 61 2.181 4.760 -2.597 1.00 0.00 C ATOM 940 CG1 VAL A 61 1.012 4.478 -3.542 1.00 0.00 C ATOM 941 CG2 VAL A 61 3.485 4.334 -3.260 1.00 0.00 C ATOM 0 H VAL A 61 3.371 6.210 -0.484 1.00 0.00 H new ATOM 0 HA VAL A 61 2.320 6.808 -3.226 1.00 0.00 H new ATOM 0 HB VAL A 61 2.034 4.202 -1.672 1.00 0.00 H new ATOM 0 HG11 VAL A 61 0.967 3.410 -3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.080 4.793 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.154 5.029 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.449 3.267 -3.482 1.00 0.00 H new ATOM 0 HG22 VAL A 61 3.622 4.893 -4.186 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.318 4.536 -2.587 1.00 0.00 H new ATOM 951 N SER A 62 0.400 7.732 -1.972 1.00 0.00 N ATOM 952 CA SER A 62 -0.836 8.240 -1.305 1.00 0.00 C ATOM 953 C SER A 62 -2.000 7.296 -1.583 1.00 0.00 C ATOM 954 O SER A 62 -1.818 6.150 -1.943 1.00 0.00 O ATOM 955 CB SER A 62 -1.162 9.634 -1.848 1.00 0.00 C ATOM 956 OG SER A 62 -2.191 9.533 -2.823 1.00 0.00 O ATOM 0 H SER A 62 0.718 8.289 -2.765 1.00 0.00 H new ATOM 0 HA SER A 62 -0.673 8.294 -0.229 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.479 10.288 -1.035 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.271 10.082 -2.289 1.00 0.00 H new ATOM 0 HG SER A 62 -2.402 10.425 -3.170 1.00 0.00 H new ATOM 962 N PHE A 63 -3.198 7.777 -1.430 1.00 0.00 N ATOM 963 CA PHE A 63 -4.379 6.922 -1.697 1.00 0.00 C ATOM 964 C PHE A 63 -4.567 6.801 -3.210 1.00 0.00 C ATOM 965 O PHE A 63 -4.266 5.804 -3.783 1.00 0.00 O ATOM 966 CB PHE A 63 -5.622 7.563 -1.101 1.00 0.00 C ATOM 967 CG PHE A 63 -6.680 6.519 -1.173 1.00 0.00 C ATOM 968 CD1 PHE A 63 -6.459 5.300 -0.539 1.00 0.00 C ATOM 969 CD2 PHE A 63 -7.833 6.730 -1.919 1.00 0.00 C ATOM 970 CE1 PHE A 63 -7.395 4.282 -0.635 1.00 0.00 C ATOM 971 CE2 PHE A 63 -8.776 5.712 -2.034 1.00 0.00 C ATOM 972 CZ PHE A 63 -8.563 4.476 -1.389 1.00 0.00 C ATOM 0 H PHE A 63 -3.410 8.729 -1.130 1.00 0.00 H new ATOM 0 HA PHE A 63 -4.225 5.939 -1.251 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.448 7.875 -0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.911 8.454 -1.659 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.554 5.146 0.030 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -7.997 7.679 -2.407 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.226 3.342 -0.131 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -9.671 5.869 -2.618 1.00 0.00 H new ATOM 0 HZ PHE A 63 -9.293 3.685 -1.475 1.00 0.00 H new ATOM 982 N GLU A 64 -5.039 7.824 -3.855 1.00 0.00 N ATOM 983 CA GLU A 64 -5.277 7.762 -5.350 1.00 0.00 C ATOM 984 C GLU A 64 -4.208 6.927 -6.077 1.00 0.00 C ATOM 985 O GLU A 64 -4.491 6.326 -7.094 1.00 0.00 O ATOM 986 CB GLU A 64 -5.304 9.188 -5.879 1.00 0.00 C ATOM 987 CG GLU A 64 -6.488 9.907 -5.228 1.00 0.00 C ATOM 988 CD GLU A 64 -6.607 11.325 -5.790 1.00 0.00 C ATOM 989 OE1 GLU A 64 -5.675 12.091 -5.614 1.00 0.00 O ATOM 990 OE2 GLU A 64 -7.632 11.621 -6.383 1.00 0.00 O ATOM 0 H GLU A 64 -5.278 8.716 -3.422 1.00 0.00 H new ATOM 0 HA GLU A 64 -6.228 7.265 -5.540 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.371 9.700 -5.645 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -5.405 9.191 -6.964 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -7.408 9.354 -5.415 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.353 9.945 -4.147 1.00 0.00 H new ATOM 997 N GLU A 65 -3.012 6.833 -5.572 1.00 0.00 N ATOM 998 CA GLU A 65 -2.001 5.977 -6.264 1.00 0.00 C ATOM 999 C GLU A 65 -2.223 4.528 -5.804 1.00 0.00 C ATOM 1000 O GLU A 65 -2.388 3.621 -6.593 1.00 0.00 O ATOM 1001 CB GLU A 65 -0.590 6.442 -5.892 1.00 0.00 C ATOM 1002 CG GLU A 65 0.430 5.421 -6.396 1.00 0.00 C ATOM 1003 CD GLU A 65 0.427 5.417 -7.924 1.00 0.00 C ATOM 1004 OE1 GLU A 65 0.119 6.448 -8.498 1.00 0.00 O ATOM 1005 OE2 GLU A 65 0.730 4.382 -8.495 1.00 0.00 O ATOM 0 H GLU A 65 -2.690 7.301 -4.725 1.00 0.00 H new ATOM 0 HA GLU A 65 -2.109 6.049 -7.346 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -0.390 7.420 -6.331 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.505 6.554 -4.811 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.424 5.668 -6.023 1.00 0.00 H new ATOM 0 HG3 GLU A 65 0.186 4.428 -6.018 1.00 0.00 H new ATOM 1012 N PHE A 66 -2.262 4.338 -4.517 1.00 0.00 N ATOM 1013 CA PHE A 66 -2.513 2.997 -3.910 1.00 0.00 C ATOM 1014 C PHE A 66 -3.971 2.580 -4.131 1.00 0.00 C ATOM 1015 O PHE A 66 -4.321 1.442 -4.205 1.00 0.00 O ATOM 1016 CB PHE A 66 -2.324 3.163 -2.384 1.00 0.00 C ATOM 1017 CG PHE A 66 -3.285 2.217 -1.748 1.00 0.00 C ATOM 1018 CD1 PHE A 66 -4.628 2.597 -1.673 1.00 0.00 C ATOM 1019 CD2 PHE A 66 -2.896 0.929 -1.439 1.00 0.00 C ATOM 1020 CE1 PHE A 66 -5.576 1.704 -1.281 1.00 0.00 C ATOM 1021 CE2 PHE A 66 -3.858 0.012 -1.060 1.00 0.00 C ATOM 1022 CZ PHE A 66 -5.193 0.407 -0.989 1.00 0.00 C ATOM 0 H PHE A 66 -2.125 5.083 -3.834 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.845 2.256 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.299 2.935 -2.090 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -2.524 4.189 -2.075 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -4.915 3.606 -1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.856 0.642 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.611 2.002 -1.199 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -3.578 -1.003 -0.821 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.943 -0.314 -0.700 1.00 0.00 H new ATOM 1032 N GLN A 67 -4.843 3.481 -4.037 1.00 0.00 N ATOM 1033 CA GLN A 67 -6.244 3.102 -4.055 1.00 0.00 C ATOM 1034 C GLN A 67 -6.549 2.344 -5.343 1.00 0.00 C ATOM 1035 O GLN A 67 -7.497 1.588 -5.417 1.00 0.00 O ATOM 1036 CB GLN A 67 -7.069 4.348 -3.733 1.00 0.00 C ATOM 1037 CG GLN A 67 -6.840 5.426 -4.758 1.00 0.00 C ATOM 1038 CD GLN A 67 -7.522 5.029 -6.025 1.00 0.00 C ATOM 1039 OE1 GLN A 67 -7.329 5.636 -7.059 1.00 0.00 O ATOM 1040 NE2 GLN A 67 -8.321 4.028 -5.998 1.00 0.00 N ATOM 0 H GLN A 67 -4.655 4.479 -3.947 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.524 2.384 -3.284 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -8.127 4.090 -3.702 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.802 4.719 -2.744 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.231 6.378 -4.400 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.773 5.564 -4.930 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.477 3.524 -5.125 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.801 3.735 -6.849 1.00 0.00 H new ATOM 1049 N VAL A 68 -5.680 2.426 -6.310 1.00 0.00 N ATOM 1050 CA VAL A 68 -5.854 1.579 -7.514 1.00 0.00 C ATOM 1051 C VAL A 68 -5.188 0.260 -7.121 1.00 0.00 C ATOM 1052 O VAL A 68 -5.623 -0.824 -7.455 1.00 0.00 O ATOM 1053 CB VAL A 68 -5.148 2.202 -8.720 1.00 0.00 C ATOM 1054 CG1 VAL A 68 -5.822 1.731 -10.011 1.00 0.00 C ATOM 1055 CG2 VAL A 68 -5.237 3.728 -8.628 1.00 0.00 C ATOM 0 H VAL A 68 -4.864 3.038 -6.317 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.898 1.460 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 68 -4.102 1.895 -8.725 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.317 2.176 -10.868 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.761 0.645 -10.078 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.868 2.036 -10.007 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.735 4.174 -9.486 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.284 4.032 -8.622 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -4.756 4.066 -7.710 1.00 0.00 H new ATOM 1065 N LEU A 69 -4.154 0.400 -6.338 1.00 0.00 N ATOM 1066 CA LEU A 69 -3.397 -0.757 -5.772 1.00 0.00 C ATOM 1067 C LEU A 69 -4.348 -1.891 -5.391 1.00 0.00 C ATOM 1068 O LEU A 69 -4.141 -3.031 -5.742 1.00 0.00 O ATOM 1069 CB LEU A 69 -2.684 -0.276 -4.512 1.00 0.00 C ATOM 1070 CG LEU A 69 -1.900 -1.401 -3.955 1.00 0.00 C ATOM 1071 CD1 LEU A 69 -1.127 -2.140 -5.052 1.00 0.00 C ATOM 1072 CD2 LEU A 69 -0.936 -0.908 -2.878 1.00 0.00 C ATOM 0 H LEU A 69 -3.787 1.309 -6.055 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.691 -1.128 -6.515 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -2.029 0.563 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -3.409 0.079 -3.779 1.00 0.00 H new ATOM 0 HG LEU A 69 -2.605 -2.100 -3.505 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.562 -2.960 -4.609 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.828 -2.537 -5.786 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.441 -1.449 -5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.370 -1.751 -2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.249 -0.181 -3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.500 -0.440 -2.072 1.00 0.00 H new ATOM 1084 N VAL A 70 -5.362 -1.580 -4.644 1.00 0.00 N ATOM 1085 CA VAL A 70 -6.337 -2.627 -4.192 1.00 0.00 C ATOM 1086 C VAL A 70 -6.852 -3.461 -5.377 1.00 0.00 C ATOM 1087 O VAL A 70 -6.804 -4.674 -5.350 1.00 0.00 O ATOM 1088 CB VAL A 70 -7.535 -1.967 -3.498 1.00 0.00 C ATOM 1089 CG1 VAL A 70 -7.279 -1.892 -1.992 1.00 0.00 C ATOM 1090 CG2 VAL A 70 -7.750 -0.557 -4.050 1.00 0.00 C ATOM 0 H VAL A 70 -5.568 -0.636 -4.318 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.814 -3.284 -3.497 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.427 -2.564 -3.687 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.131 -1.423 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.141 -2.898 -1.596 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -6.382 -1.302 -1.804 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -8.603 -0.097 -3.551 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.858 0.043 -3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.943 -0.611 -5.121 1.00 0.00 H new ATOM 1100 N LYS A 71 -7.366 -2.835 -6.404 1.00 0.00 N ATOM 1101 CA LYS A 71 -7.897 -3.627 -7.556 1.00 0.00 C ATOM 1102 C LYS A 71 -6.756 -4.395 -8.225 1.00 0.00 C ATOM 1103 O LYS A 71 -6.973 -5.299 -9.007 1.00 0.00 O ATOM 1104 CB LYS A 71 -8.568 -2.700 -8.575 1.00 0.00 C ATOM 1105 CG LYS A 71 -7.673 -1.492 -8.863 1.00 0.00 C ATOM 1106 CD LYS A 71 -8.176 -0.777 -10.124 1.00 0.00 C ATOM 1107 CE LYS A 71 -9.695 -0.599 -10.042 1.00 0.00 C ATOM 1108 NZ LYS A 71 -10.096 0.622 -10.797 1.00 0.00 N ATOM 0 H LYS A 71 -7.441 -1.822 -6.496 1.00 0.00 H new ATOM 0 HA LYS A 71 -8.639 -4.334 -7.185 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -8.764 -3.245 -9.499 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -9.532 -2.364 -8.192 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -7.682 -0.808 -8.015 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -6.641 -1.814 -9.001 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -7.691 0.194 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -7.915 -1.355 -11.011 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.197 -1.475 -10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.006 -0.514 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.128 0.742 -10.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -9.628 1.454 -10.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -9.813 0.523 -11.793 1.00 0.00 H new ATOM 1122 N LYS A 72 -5.542 -4.049 -7.910 1.00 0.00 N ATOM 1123 CA LYS A 72 -4.376 -4.756 -8.509 1.00 0.00 C ATOM 1124 C LYS A 72 -3.854 -5.790 -7.506 1.00 0.00 C ATOM 1125 O LYS A 72 -3.103 -6.681 -7.847 1.00 0.00 O ATOM 1126 CB LYS A 72 -3.274 -3.740 -8.821 1.00 0.00 C ATOM 1127 CG LYS A 72 -2.054 -4.463 -9.395 1.00 0.00 C ATOM 1128 CD LYS A 72 -1.822 -4.000 -10.834 1.00 0.00 C ATOM 1129 CE LYS A 72 -0.334 -4.109 -11.175 1.00 0.00 C ATOM 1130 NZ LYS A 72 -0.185 -4.550 -12.592 1.00 0.00 N ATOM 0 H LYS A 72 -5.304 -3.301 -7.258 1.00 0.00 H new ATOM 0 HA LYS A 72 -4.676 -5.256 -9.430 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -3.639 -3.000 -9.534 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -2.996 -3.200 -7.916 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -1.174 -4.254 -8.787 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -2.210 -5.541 -9.369 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -2.409 -4.609 -11.522 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.158 -2.970 -10.954 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.156 -3.147 -11.028 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.153 -4.820 -10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.825 -4.625 -12.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.640 -5.477 -12.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.636 -3.856 -13.221 1.00 0.00 H new ATOM 1144 N ILE A 73 -4.256 -5.673 -6.270 1.00 0.00 N ATOM 1145 CA ILE A 73 -3.805 -6.632 -5.234 1.00 0.00 C ATOM 1146 C ILE A 73 -4.587 -7.925 -5.373 1.00 0.00 C ATOM 1147 O ILE A 73 -4.142 -8.891 -5.959 1.00 0.00 O ATOM 1148 CB ILE A 73 -4.057 -6.026 -3.852 1.00 0.00 C ATOM 1149 CG1 ILE A 73 -3.043 -4.909 -3.591 1.00 0.00 C ATOM 1150 CG2 ILE A 73 -3.906 -7.103 -2.774 1.00 0.00 C ATOM 1151 CD1 ILE A 73 -3.423 -4.157 -2.314 1.00 0.00 C ATOM 0 H ILE A 73 -4.885 -4.944 -5.935 1.00 0.00 H new ATOM 0 HA ILE A 73 -2.742 -6.838 -5.356 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.069 -5.622 -3.820 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.042 -5.329 -3.493 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -3.019 -4.221 -4.436 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.087 -6.664 -1.793 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.627 -7.901 -2.953 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -2.896 -7.512 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.700 -3.363 -2.131 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -4.417 -3.724 -2.429 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -3.424 -4.848 -1.471 1.00 0.00 H new ATOM 1163 N SER A 74 -5.751 -7.928 -4.832 1.00 0.00 N ATOM 1164 CA SER A 74 -6.622 -9.137 -4.898 1.00 0.00 C ATOM 1165 C SER A 74 -8.017 -8.794 -4.369 1.00 0.00 C ATOM 1166 O SER A 74 -8.403 -7.643 -4.312 1.00 0.00 O ATOM 1167 CB SER A 74 -6.012 -10.253 -4.049 1.00 0.00 C ATOM 1168 OG SER A 74 -6.415 -11.513 -4.571 1.00 0.00 O ATOM 0 H SER A 74 -6.156 -7.136 -4.334 1.00 0.00 H new ATOM 0 HA SER A 74 -6.700 -9.471 -5.933 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.925 -10.176 -4.053 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.335 -10.155 -3.013 1.00 0.00 H new ATOM 0 HG SER A 74 -6.025 -12.231 -4.030 1.00 0.00 H new ATOM 1174 N GLN A 75 -8.777 -9.783 -3.983 1.00 0.00 N ATOM 1175 CA GLN A 75 -10.148 -9.509 -3.460 1.00 0.00 C ATOM 1176 C GLN A 75 -10.163 -9.681 -1.939 1.00 0.00 C ATOM 1177 O GLN A 75 -9.377 -10.422 -1.380 1.00 0.00 O ATOM 1178 CB GLN A 75 -11.144 -10.485 -4.092 1.00 0.00 C ATOM 1179 CG GLN A 75 -11.287 -10.175 -5.583 1.00 0.00 C ATOM 1180 CD GLN A 75 -12.564 -9.364 -5.815 1.00 0.00 C ATOM 1181 OE1 GLN A 75 -12.550 -8.376 -6.522 1.00 0.00 O ATOM 1182 NE2 GLN A 75 -13.676 -9.744 -5.247 1.00 0.00 N ATOM 1183 OXT GLN A 75 -11.048 -9.001 -1.264 1.00 0.00 O ATOM 0 H GLN A 75 -8.509 -10.767 -4.007 1.00 0.00 H new ATOM 0 HA GLN A 75 -10.431 -8.487 -3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -10.801 -11.511 -3.954 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -12.112 -10.403 -3.598 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -10.420 -9.616 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -11.323 -11.101 -6.156 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -13.688 -10.573 -4.653 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -14.533 -9.212 -5.397 1.00 0.00 H new TER 1192 GLN A 75