USER MOD reduce.3.24.130724 H: found=0, std=0, add=402, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 403 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot -10:sc= 0.0319 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -3.57 K(o=-3.6,f=-18!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.791 K(o=-0.79,f=-3.2!) USER MOD Single : A 32 THR OG1 : rot 41:sc= 0.123 USER MOD Single : A 35 TYR OH : rot 180:sc= -4.25! USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -1.86! C(o=-1.9!,f=-7.7!) USER MOD Single : A 44 ASN : amide:sc= -8.47! C(o=-8.5!,f=-20!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 87:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 53 N PHE A 4 5.965 -7.623 3.381 1.00 0.00 N ATOM 54 CA PHE A 4 4.666 -7.056 2.908 1.00 0.00 C ATOM 55 C PHE A 4 4.905 -5.781 2.101 1.00 0.00 C ATOM 56 O PHE A 4 4.051 -5.333 1.363 1.00 0.00 O ATOM 57 CB PHE A 4 3.826 -6.786 4.162 1.00 0.00 C ATOM 58 CG PHE A 4 4.395 -5.639 4.968 1.00 0.00 C ATOM 59 CD1 PHE A 4 4.116 -4.309 4.612 1.00 0.00 C ATOM 60 CD2 PHE A 4 5.182 -5.908 6.093 1.00 0.00 C ATOM 61 CE1 PHE A 4 4.627 -3.262 5.381 1.00 0.00 C ATOM 62 CE2 PHE A 4 5.696 -4.855 6.858 1.00 0.00 C ATOM 63 CZ PHE A 4 5.416 -3.531 6.501 1.00 0.00 C ATOM 0 HA PHE A 4 4.144 -7.746 2.245 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.800 -6.557 3.873 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.790 -7.684 4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.508 -4.097 3.745 1.00 0.00 H new ATOM 0 HD2 PHE A 4 5.393 -6.930 6.371 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.411 -2.240 5.108 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.308 -5.064 7.723 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.810 -2.717 7.092 1.00 0.00 H new ATOM 73 N CYS A 5 6.067 -5.206 2.218 1.00 0.00 N ATOM 74 CA CYS A 5 6.365 -3.972 1.440 1.00 0.00 C ATOM 75 C CYS A 5 6.825 -4.357 0.034 1.00 0.00 C ATOM 76 O CYS A 5 6.679 -3.608 -0.910 1.00 0.00 O ATOM 77 CB CYS A 5 7.500 -3.286 2.199 1.00 0.00 C ATOM 78 SG CYS A 5 6.823 -2.370 3.602 1.00 0.00 S ATOM 0 H CYS A 5 6.823 -5.536 2.818 1.00 0.00 H new ATOM 0 HA CYS A 5 5.496 -3.322 1.338 1.00 0.00 H new ATOM 0 HB2 CYS A 5 8.218 -4.028 2.548 1.00 0.00 H new ATOM 0 HB3 CYS A 5 8.038 -2.609 1.535 1.00 0.00 H new ATOM 83 N LEU A 6 7.383 -5.529 -0.104 1.00 0.00 N ATOM 84 CA LEU A 6 7.867 -5.976 -1.443 1.00 0.00 C ATOM 85 C LEU A 6 6.704 -6.523 -2.272 1.00 0.00 C ATOM 86 O LEU A 6 6.788 -6.633 -3.480 1.00 0.00 O ATOM 87 CB LEU A 6 8.888 -7.081 -1.155 1.00 0.00 C ATOM 88 CG LEU A 6 9.755 -6.695 0.050 1.00 0.00 C ATOM 89 CD1 LEU A 6 10.995 -7.587 0.095 1.00 0.00 C ATOM 90 CD2 LEU A 6 10.187 -5.232 -0.076 1.00 0.00 C ATOM 0 H LEU A 6 7.525 -6.198 0.653 1.00 0.00 H new ATOM 0 HA LEU A 6 8.306 -5.158 -2.013 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.373 -8.021 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 6 9.518 -7.242 -2.030 1.00 0.00 H new ATOM 0 HG LEU A 6 9.178 -6.826 0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.610 -7.312 0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.690 -8.629 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.570 -7.457 -0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.803 -4.959 0.781 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.762 -5.100 -0.993 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.304 -4.593 -0.106 1.00 0.00 H new ATOM 102 N GLU A 7 5.619 -6.864 -1.636 1.00 0.00 N ATOM 103 CA GLU A 7 4.452 -7.400 -2.390 1.00 0.00 C ATOM 104 C GLU A 7 3.635 -6.247 -2.975 1.00 0.00 C ATOM 105 O GLU A 7 3.762 -5.117 -2.549 1.00 0.00 O ATOM 106 CB GLU A 7 3.632 -8.169 -1.355 1.00 0.00 C ATOM 107 CG GLU A 7 4.379 -9.444 -0.959 1.00 0.00 C ATOM 108 CD GLU A 7 3.423 -10.636 -1.019 1.00 0.00 C ATOM 109 OE1 GLU A 7 2.232 -10.409 -1.147 1.00 0.00 O ATOM 110 OE2 GLU A 7 3.899 -11.756 -0.934 1.00 0.00 O ATOM 0 H GLU A 7 5.490 -6.795 -0.627 1.00 0.00 H new ATOM 0 HA GLU A 7 4.751 -8.035 -3.224 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.460 -7.547 -0.476 1.00 0.00 H new ATOM 0 HB3 GLU A 7 2.653 -8.420 -1.764 1.00 0.00 H new ATOM 0 HG2 GLU A 7 5.223 -9.607 -1.630 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.787 -9.342 0.047 1.00 0.00 H new ATOM 117 N PRO A 8 2.817 -6.575 -3.937 1.00 0.00 N ATOM 118 CA PRO A 8 1.965 -5.554 -4.588 1.00 0.00 C ATOM 119 C PRO A 8 0.849 -5.116 -3.637 1.00 0.00 C ATOM 120 O PRO A 8 0.633 -5.729 -2.610 1.00 0.00 O ATOM 121 CB PRO A 8 1.397 -6.282 -5.803 1.00 0.00 C ATOM 122 CG PRO A 8 1.444 -7.733 -5.439 1.00 0.00 C ATOM 123 CD PRO A 8 2.611 -7.913 -4.502 1.00 0.00 C ATOM 0 HA PRO A 8 2.506 -4.648 -4.861 1.00 0.00 H new ATOM 0 HB2 PRO A 8 0.377 -5.961 -6.015 1.00 0.00 H new ATOM 0 HB3 PRO A 8 1.987 -6.079 -6.697 1.00 0.00 H new ATOM 0 HG2 PRO A 8 0.514 -8.041 -4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 8 1.565 -8.350 -6.329 1.00 0.00 H new ATOM 0 HD2 PRO A 8 2.391 -8.645 -3.725 1.00 0.00 H new ATOM 0 HD3 PRO A 8 3.497 -8.265 -5.030 1.00 0.00 H new ATOM 131 N PRO A 9 0.176 -4.066 -4.014 1.00 0.00 N ATOM 132 CA PRO A 9 -0.932 -3.534 -3.184 1.00 0.00 C ATOM 133 C PRO A 9 -2.136 -4.481 -3.218 1.00 0.00 C ATOM 134 O PRO A 9 -2.140 -5.471 -3.924 1.00 0.00 O ATOM 135 CB PRO A 9 -1.260 -2.196 -3.840 1.00 0.00 C ATOM 136 CG PRO A 9 -0.786 -2.328 -5.252 1.00 0.00 C ATOM 137 CD PRO A 9 0.377 -3.285 -5.238 1.00 0.00 C ATOM 0 HA PRO A 9 -0.668 -3.430 -2.132 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.330 -1.989 -3.801 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.758 -1.374 -3.331 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.584 -2.701 -5.894 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.484 -1.359 -5.650 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.381 -3.922 -6.122 1.00 0.00 H new ATOM 0 HD3 PRO A 9 1.330 -2.756 -5.222 1.00 0.00 H new ATOM 145 N TYR A 10 -3.153 -4.188 -2.454 1.00 0.00 N ATOM 146 CA TYR A 10 -4.358 -5.072 -2.433 1.00 0.00 C ATOM 147 C TYR A 10 -5.630 -4.238 -2.527 1.00 0.00 C ATOM 148 O TYR A 10 -6.166 -3.785 -1.535 1.00 0.00 O ATOM 149 CB TYR A 10 -4.288 -5.795 -1.087 1.00 0.00 C ATOM 150 CG TYR A 10 -5.296 -6.918 -1.065 1.00 0.00 C ATOM 151 CD1 TYR A 10 -5.103 -8.046 -1.872 1.00 0.00 C ATOM 152 CD2 TYR A 10 -6.425 -6.829 -0.243 1.00 0.00 C ATOM 153 CE1 TYR A 10 -6.040 -9.085 -1.855 1.00 0.00 C ATOM 154 CE2 TYR A 10 -7.362 -7.869 -0.226 1.00 0.00 C ATOM 155 CZ TYR A 10 -7.170 -8.997 -1.033 1.00 0.00 C ATOM 156 OH TYR A 10 -8.095 -10.022 -1.017 1.00 0.00 O ATOM 0 H TYR A 10 -3.203 -3.374 -1.842 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.376 -5.767 -3.272 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.285 -6.190 -0.926 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.489 -5.096 -0.276 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -4.232 -8.114 -2.507 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.573 -5.958 0.378 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -5.891 -9.956 -2.477 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.233 -7.801 0.409 1.00 0.00 H new ATOM 0 HH TYR A 10 -8.817 -9.801 -0.392 1.00 0.00 H new ATOM 166 N THR A 11 -6.130 -4.057 -3.714 1.00 0.00 N ATOM 167 CA THR A 11 -7.380 -3.278 -3.882 1.00 0.00 C ATOM 168 C THR A 11 -8.522 -4.045 -3.219 1.00 0.00 C ATOM 169 O THR A 11 -9.538 -3.486 -2.857 1.00 0.00 O ATOM 170 CB THR A 11 -7.588 -3.173 -5.398 1.00 0.00 C ATOM 171 OG1 THR A 11 -6.828 -2.083 -5.901 1.00 0.00 O ATOM 172 CG2 THR A 11 -9.068 -2.940 -5.706 1.00 0.00 C ATOM 0 H THR A 11 -5.724 -4.417 -4.578 1.00 0.00 H new ATOM 0 HA THR A 11 -7.339 -2.288 -3.427 1.00 0.00 H new ATOM 0 HB THR A 11 -7.264 -4.101 -5.870 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.484 -1.551 -5.153 1.00 0.00 H new ATOM 0 HG21 THR A 11 -9.208 -2.866 -6.784 1.00 0.00 H new ATOM 0 HG22 THR A 11 -9.656 -3.773 -5.320 1.00 0.00 H new ATOM 0 HG23 THR A 11 -9.397 -2.014 -5.234 1.00 0.00 H new ATOM 180 N GLY A 12 -8.358 -5.331 -3.065 1.00 0.00 N ATOM 181 CA GLY A 12 -9.435 -6.144 -2.433 1.00 0.00 C ATOM 182 C GLY A 12 -10.726 -5.983 -3.239 1.00 0.00 C ATOM 183 O GLY A 12 -10.797 -5.169 -4.138 1.00 0.00 O ATOM 0 H GLY A 12 -7.528 -5.852 -3.348 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.142 -7.193 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.593 -5.823 -1.403 1.00 0.00 H new ATOM 187 N PRO A 13 -11.706 -6.772 -2.892 1.00 0.00 N ATOM 188 CA PRO A 13 -13.008 -6.718 -3.597 1.00 0.00 C ATOM 189 C PRO A 13 -13.796 -5.467 -3.175 1.00 0.00 C ATOM 190 O PRO A 13 -13.575 -4.388 -3.688 1.00 0.00 O ATOM 191 CB PRO A 13 -13.710 -7.998 -3.147 1.00 0.00 C ATOM 192 CG PRO A 13 -13.095 -8.334 -1.824 1.00 0.00 C ATOM 193 CD PRO A 13 -11.692 -7.779 -1.826 1.00 0.00 C ATOM 0 HA PRO A 13 -12.911 -6.655 -4.681 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -14.786 -7.847 -3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -13.562 -8.803 -3.867 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -13.677 -7.903 -1.009 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -13.081 -9.413 -1.670 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -11.437 -7.336 -0.863 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -10.956 -8.558 -2.023 1.00 0.00 H new ATOM 201 N CYS A 14 -14.707 -5.598 -2.244 1.00 0.00 N ATOM 202 CA CYS A 14 -15.501 -4.413 -1.797 1.00 0.00 C ATOM 203 C CYS A 14 -15.940 -3.569 -2.999 1.00 0.00 C ATOM 204 O CYS A 14 -15.810 -3.973 -4.137 1.00 0.00 O ATOM 205 CB CYS A 14 -14.554 -3.617 -0.899 1.00 0.00 C ATOM 206 SG CYS A 14 -14.844 -4.071 0.829 1.00 0.00 S ATOM 0 H CYS A 14 -14.935 -6.474 -1.774 1.00 0.00 H new ATOM 0 HA CYS A 14 -16.412 -4.706 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -13.519 -3.821 -1.172 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -14.715 -2.548 -1.038 1.00 0.00 H new ATOM 211 N LYS A 15 -16.464 -2.398 -2.751 1.00 0.00 N ATOM 212 CA LYS A 15 -16.915 -1.529 -3.875 1.00 0.00 C ATOM 213 C LYS A 15 -16.406 -0.099 -3.671 1.00 0.00 C ATOM 214 O LYS A 15 -16.874 0.834 -4.295 1.00 0.00 O ATOM 215 CB LYS A 15 -18.443 -1.566 -3.820 1.00 0.00 C ATOM 216 CG LYS A 15 -19.014 -1.029 -5.133 1.00 0.00 C ATOM 217 CD LYS A 15 -20.307 -1.775 -5.471 1.00 0.00 C ATOM 218 CE LYS A 15 -21.100 -0.978 -6.511 1.00 0.00 C ATOM 219 NZ LYS A 15 -21.757 -2.006 -7.366 1.00 0.00 N ATOM 0 H LYS A 15 -16.599 -2.007 -1.819 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.535 -1.870 -4.838 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -18.787 -2.587 -3.652 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -18.802 -0.967 -2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -19.210 0.040 -5.046 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -18.288 -1.156 -5.936 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -20.076 -2.768 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -20.905 -1.914 -4.570 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -21.837 -0.331 -6.035 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.445 -0.335 -7.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.320 -1.536 -8.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.031 -2.602 -7.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.380 -2.598 -6.780 1.00 0.00 H new ATOM 233 N ALA A 16 -15.450 0.080 -2.801 1.00 0.00 N ATOM 234 CA ALA A 16 -14.911 1.448 -2.556 1.00 0.00 C ATOM 235 C ALA A 16 -13.773 1.748 -3.535 1.00 0.00 C ATOM 236 O ALA A 16 -13.332 0.888 -4.270 1.00 0.00 O ATOM 237 CB ALA A 16 -14.388 1.418 -1.120 1.00 0.00 C ATOM 0 H ALA A 16 -15.019 -0.662 -2.249 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.666 2.221 -2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -13.973 2.393 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.206 1.181 -0.440 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.611 0.659 -1.032 1.00 0.00 H new ATOM 243 N ARG A 17 -13.296 2.963 -3.550 1.00 0.00 N ATOM 244 CA ARG A 17 -12.189 3.315 -4.483 1.00 0.00 C ATOM 245 C ARG A 17 -11.334 4.439 -3.892 1.00 0.00 C ATOM 246 O ARG A 17 -11.361 5.561 -4.355 1.00 0.00 O ATOM 247 CB ARG A 17 -12.882 3.786 -5.762 1.00 0.00 C ATOM 248 CG ARG A 17 -12.369 2.974 -6.953 1.00 0.00 C ATOM 249 CD ARG A 17 -13.527 2.190 -7.575 1.00 0.00 C ATOM 250 NE ARG A 17 -13.899 2.959 -8.794 1.00 0.00 N ATOM 251 CZ ARG A 17 -14.571 4.072 -8.681 1.00 0.00 C ATOM 252 NH1 ARG A 17 -15.800 4.050 -8.244 1.00 0.00 N ATOM 253 NH2 ARG A 17 -14.013 5.206 -9.007 1.00 0.00 N ATOM 0 H ARG A 17 -13.625 3.726 -2.958 1.00 0.00 H new ATOM 0 HA ARG A 17 -11.522 2.472 -4.667 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -13.961 3.669 -5.667 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -12.690 4.847 -5.922 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.926 3.638 -7.695 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.585 2.289 -6.629 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.226 1.173 -7.826 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -14.367 2.112 -6.885 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.629 2.617 -9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -16.235 3.163 -7.991 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -16.325 4.920 -8.156 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -13.052 5.222 -9.350 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -14.538 6.076 -8.919 1.00 0.00 H new ATOM 267 N ILE A 18 -10.575 4.145 -2.875 1.00 0.00 N ATOM 268 CA ILE A 18 -9.718 5.198 -2.257 1.00 0.00 C ATOM 269 C ILE A 18 -8.286 5.090 -2.789 1.00 0.00 C ATOM 270 O ILE A 18 -7.843 4.036 -3.201 1.00 0.00 O ATOM 271 CB ILE A 18 -9.762 4.914 -0.756 1.00 0.00 C ATOM 272 CG1 ILE A 18 -11.210 5.016 -0.266 1.00 0.00 C ATOM 273 CG2 ILE A 18 -8.899 5.938 -0.016 1.00 0.00 C ATOM 274 CD1 ILE A 18 -11.259 4.764 1.241 1.00 0.00 C ATOM 0 H ILE A 18 -10.510 3.223 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 18 -10.065 6.205 -2.488 1.00 0.00 H new ATOM 0 HB ILE A 18 -9.379 3.912 -0.562 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -11.613 6.003 -0.493 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -11.833 4.289 -0.787 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -8.931 5.735 1.054 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -7.870 5.869 -0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -9.281 6.941 -0.206 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -12.289 4.837 1.589 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -10.873 3.768 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -10.650 5.508 1.754 1.00 0.00 H new ATOM 286 N ILE A 19 -7.564 6.176 -2.788 1.00 0.00 N ATOM 287 CA ILE A 19 -6.164 6.143 -3.297 1.00 0.00 C ATOM 288 C ILE A 19 -5.178 5.980 -2.135 1.00 0.00 C ATOM 289 O ILE A 19 -4.680 6.945 -1.591 1.00 0.00 O ATOM 290 CB ILE A 19 -5.968 7.495 -3.982 1.00 0.00 C ATOM 291 CG1 ILE A 19 -6.822 7.552 -5.252 1.00 0.00 C ATOM 292 CG2 ILE A 19 -4.494 7.676 -4.352 1.00 0.00 C ATOM 293 CD1 ILE A 19 -6.594 6.287 -6.080 1.00 0.00 C ATOM 0 H ILE A 19 -7.883 7.086 -2.456 1.00 0.00 H new ATOM 0 HA ILE A 19 -5.989 5.309 -3.976 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.271 8.291 -3.302 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.876 7.642 -4.990 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.563 8.434 -5.838 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.357 8.641 -4.840 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -3.885 7.637 -3.449 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -4.189 6.879 -5.031 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.202 6.329 -6.983 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -5.541 6.216 -6.354 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -6.875 5.413 -5.493 1.00 0.00 H new ATOM 305 N ARG A 20 -4.893 4.765 -1.755 1.00 0.00 N ATOM 306 CA ARG A 20 -3.939 4.542 -0.631 1.00 0.00 C ATOM 307 C ARG A 20 -2.506 4.460 -1.163 1.00 0.00 C ATOM 308 O ARG A 20 -2.270 4.529 -2.355 1.00 0.00 O ATOM 309 CB ARG A 20 -4.364 3.210 -0.010 1.00 0.00 C ATOM 310 CG ARG A 20 -5.449 3.463 1.040 1.00 0.00 C ATOM 311 CD ARG A 20 -4.830 4.157 2.254 1.00 0.00 C ATOM 312 NE ARG A 20 -5.964 4.855 2.921 1.00 0.00 N ATOM 313 CZ ARG A 20 -6.559 4.310 3.947 1.00 0.00 C ATOM 314 NH1 ARG A 20 -5.867 3.631 4.823 1.00 0.00 N ATOM 315 NH2 ARG A 20 -7.848 4.445 4.100 1.00 0.00 N ATOM 0 H ARG A 20 -5.278 3.918 -2.173 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.958 5.353 0.097 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -4.739 2.539 -0.783 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -3.506 2.719 0.449 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.241 4.082 0.618 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -5.907 2.520 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.362 3.436 2.924 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -4.055 4.862 1.953 1.00 0.00 H new ATOM 0 HE ARG A 20 -6.277 5.762 2.575 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -4.859 3.526 4.706 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.335 3.206 5.624 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -8.390 4.976 3.418 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.314 4.019 4.901 1.00 0.00 H new ATOM 329 N TYR A 21 -1.543 4.320 -0.293 1.00 0.00 N ATOM 330 CA TYR A 21 -0.128 4.247 -0.760 1.00 0.00 C ATOM 331 C TYR A 21 0.468 2.864 -0.495 1.00 0.00 C ATOM 332 O TYR A 21 0.080 2.171 0.425 1.00 0.00 O ATOM 333 CB TYR A 21 0.620 5.293 0.065 1.00 0.00 C ATOM 334 CG TYR A 21 0.370 6.669 -0.498 1.00 0.00 C ATOM 335 CD1 TYR A 21 1.204 7.179 -1.499 1.00 0.00 C ATOM 336 CD2 TYR A 21 -0.690 7.438 -0.009 1.00 0.00 C ATOM 337 CE1 TYR A 21 0.977 8.461 -2.013 1.00 0.00 C ATOM 338 CE2 TYR A 21 -0.918 8.721 -0.521 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.085 9.232 -1.524 1.00 0.00 C ATOM 340 OH TYR A 21 -0.309 10.496 -2.031 1.00 0.00 O ATOM 0 H TYR A 21 -1.673 4.253 0.716 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.056 4.426 -1.833 1.00 0.00 H new ATOM 0 HB2 TYR A 21 0.292 5.251 1.104 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.688 5.077 0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 21 2.023 6.584 -1.875 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.333 7.043 0.763 1.00 0.00 H new ATOM 0 HE1 TYR A 21 1.620 8.855 -2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.736 9.316 -0.143 1.00 0.00 H new ATOM 0 HH TYR A 21 -1.085 10.895 -1.584 1.00 0.00 H new ATOM 350 N PHE A 22 1.429 2.475 -1.286 1.00 0.00 N ATOM 351 CA PHE A 22 2.088 1.156 -1.082 1.00 0.00 C ATOM 352 C PHE A 22 3.534 1.232 -1.570 1.00 0.00 C ATOM 353 O PHE A 22 3.889 2.085 -2.356 1.00 0.00 O ATOM 354 CB PHE A 22 1.270 0.154 -1.902 1.00 0.00 C ATOM 355 CG PHE A 22 1.679 0.202 -3.355 1.00 0.00 C ATOM 356 CD1 PHE A 22 1.044 1.088 -4.236 1.00 0.00 C ATOM 357 CD2 PHE A 22 2.692 -0.645 -3.824 1.00 0.00 C ATOM 358 CE1 PHE A 22 1.422 1.127 -5.583 1.00 0.00 C ATOM 359 CE2 PHE A 22 3.071 -0.605 -5.171 1.00 0.00 C ATOM 360 CZ PHE A 22 2.436 0.280 -6.052 1.00 0.00 C ATOM 0 H PHE A 22 1.788 3.019 -2.071 1.00 0.00 H new ATOM 0 HA PHE A 22 2.120 0.858 -0.034 1.00 0.00 H new ATOM 0 HB2 PHE A 22 1.417 -0.852 -1.510 1.00 0.00 H new ATOM 0 HB3 PHE A 22 0.208 0.380 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 22 0.263 1.741 -3.875 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.181 -1.329 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.932 1.810 -6.261 1.00 0.00 H new ATOM 0 HE2 PHE A 22 3.853 -1.257 -5.531 1.00 0.00 H new ATOM 0 HZ PHE A 22 2.727 0.310 -7.092 1.00 0.00 H new ATOM 370 N TYR A 23 4.370 0.358 -1.100 1.00 0.00 N ATOM 371 CA TYR A 23 5.804 0.393 -1.524 1.00 0.00 C ATOM 372 C TYR A 23 6.011 -0.417 -2.809 1.00 0.00 C ATOM 373 O TYR A 23 5.877 -1.624 -2.818 1.00 0.00 O ATOM 374 CB TYR A 23 6.570 -0.245 -0.364 1.00 0.00 C ATOM 375 CG TYR A 23 8.053 -0.211 -0.657 1.00 0.00 C ATOM 376 CD1 TYR A 23 8.696 1.012 -0.881 1.00 0.00 C ATOM 377 CD2 TYR A 23 8.786 -1.404 -0.704 1.00 0.00 C ATOM 378 CE1 TYR A 23 10.068 1.043 -1.155 1.00 0.00 C ATOM 379 CE2 TYR A 23 10.158 -1.373 -0.978 1.00 0.00 C ATOM 380 CZ TYR A 23 10.800 -0.150 -1.203 1.00 0.00 C ATOM 381 OH TYR A 23 12.153 -0.119 -1.473 1.00 0.00 O ATOM 0 H TYR A 23 4.130 -0.382 -0.440 1.00 0.00 H new ATOM 0 HA TYR A 23 6.142 1.407 -1.737 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.360 0.290 0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.241 -1.274 -0.220 1.00 0.00 H new ATOM 0 HD1 TYR A 23 8.133 1.933 -0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 23 8.292 -2.348 -0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.562 1.987 -1.329 1.00 0.00 H new ATOM 0 HE2 TYR A 23 10.722 -2.293 -1.016 1.00 0.00 H new ATOM 0 HH TYR A 23 12.509 -1.032 -1.468 1.00 0.00 H new ATOM 391 N ASN A 24 6.353 0.234 -3.889 1.00 0.00 N ATOM 392 CA ASN A 24 6.581 -0.509 -5.161 1.00 0.00 C ATOM 393 C ASN A 24 8.026 -1.007 -5.215 1.00 0.00 C ATOM 394 O ASN A 24 8.883 -0.380 -5.803 1.00 0.00 O ATOM 395 CB ASN A 24 6.334 0.511 -6.272 1.00 0.00 C ATOM 396 CG ASN A 24 6.411 -0.187 -7.632 1.00 0.00 C ATOM 397 OD1 ASN A 24 7.166 -1.123 -7.804 1.00 0.00 O ATOM 398 ND2 ASN A 24 5.655 0.230 -8.610 1.00 0.00 N ATOM 0 H ASN A 24 6.484 1.244 -3.945 1.00 0.00 H new ATOM 0 HA ASN A 24 5.929 -1.378 -5.255 1.00 0.00 H new ATOM 0 HB2 ASN A 24 5.356 0.974 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 24 7.074 1.309 -6.219 1.00 0.00 H new ATOM 0 HD21 ASN A 24 5.698 -0.230 -9.519 1.00 0.00 H new ATOM 0 HD22 ASN A 24 5.021 1.016 -8.465 1.00 0.00 H new ATOM 405 N ALA A 25 8.309 -2.123 -4.605 1.00 0.00 N ATOM 406 CA ALA A 25 9.705 -2.641 -4.636 1.00 0.00 C ATOM 407 C ALA A 25 10.254 -2.547 -6.057 1.00 0.00 C ATOM 408 O ALA A 25 11.439 -2.387 -6.270 1.00 0.00 O ATOM 409 CB ALA A 25 9.605 -4.098 -4.189 1.00 0.00 C ATOM 0 H ALA A 25 7.640 -2.696 -4.090 1.00 0.00 H new ATOM 0 HA ALA A 25 10.376 -2.073 -3.992 1.00 0.00 H new ATOM 0 HB1 ALA A 25 10.598 -4.547 -4.187 1.00 0.00 H new ATOM 0 HB2 ALA A 25 9.185 -4.142 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 25 8.960 -4.646 -4.876 1.00 0.00 H new ATOM 415 N LYS A 26 9.393 -2.632 -7.033 1.00 0.00 N ATOM 416 CA LYS A 26 9.854 -2.535 -8.443 1.00 0.00 C ATOM 417 C LYS A 26 10.262 -1.095 -8.754 1.00 0.00 C ATOM 418 O LYS A 26 11.094 -0.845 -9.603 1.00 0.00 O ATOM 419 CB LYS A 26 8.643 -2.944 -9.279 1.00 0.00 C ATOM 420 CG LYS A 26 9.112 -3.682 -10.534 1.00 0.00 C ATOM 421 CD LYS A 26 7.979 -3.718 -11.559 1.00 0.00 C ATOM 422 CE LYS A 26 7.351 -5.113 -11.580 1.00 0.00 C ATOM 423 NZ LYS A 26 7.795 -5.716 -12.867 1.00 0.00 N ATOM 0 H LYS A 26 8.389 -2.765 -6.913 1.00 0.00 H new ATOM 0 HA LYS A 26 10.719 -3.165 -8.648 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.984 -3.584 -8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.066 -2.062 -9.558 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.984 -3.183 -10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 26 9.418 -4.697 -10.279 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.225 -2.972 -11.309 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.361 -3.465 -12.548 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.684 -5.708 -10.730 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.264 -5.057 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.404 -6.676 -12.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 7.458 -5.132 -13.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.834 -5.763 -12.888 1.00 0.00 H new ATOM 437 N ALA A 27 9.684 -0.145 -8.068 1.00 0.00 N ATOM 438 CA ALA A 27 10.042 1.281 -8.321 1.00 0.00 C ATOM 439 C ALA A 27 11.121 1.739 -7.336 1.00 0.00 C ATOM 440 O ALA A 27 11.887 2.639 -7.614 1.00 0.00 O ATOM 441 CB ALA A 27 8.746 2.062 -8.100 1.00 0.00 C ATOM 0 H ALA A 27 8.981 -0.295 -7.345 1.00 0.00 H new ATOM 0 HA ALA A 27 10.443 1.434 -9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.928 3.124 -8.268 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.985 1.709 -8.797 1.00 0.00 H new ATOM 0 HB3 ALA A 27 8.400 1.910 -7.078 1.00 0.00 H new ATOM 447 N GLY A 28 11.187 1.127 -6.184 1.00 0.00 N ATOM 448 CA GLY A 28 12.218 1.529 -5.184 1.00 0.00 C ATOM 449 C GLY A 28 11.601 2.487 -4.163 1.00 0.00 C ATOM 450 O GLY A 28 12.197 2.795 -3.149 1.00 0.00 O ATOM 0 H GLY A 28 10.572 0.367 -5.892 1.00 0.00 H new ATOM 0 HA2 GLY A 28 12.611 0.647 -4.678 1.00 0.00 H new ATOM 0 HA3 GLY A 28 13.058 2.009 -5.686 1.00 0.00 H new ATOM 454 N LEU A 29 10.412 2.960 -4.418 1.00 0.00 N ATOM 455 CA LEU A 29 9.759 3.893 -3.462 1.00 0.00 C ATOM 456 C LEU A 29 8.302 3.470 -3.246 1.00 0.00 C ATOM 457 O LEU A 29 7.987 2.296 -3.226 1.00 0.00 O ATOM 458 CB LEU A 29 9.848 5.267 -4.131 1.00 0.00 C ATOM 459 CG LEU A 29 9.200 5.210 -5.515 1.00 0.00 C ATOM 460 CD1 LEU A 29 8.348 6.463 -5.728 1.00 0.00 C ATOM 461 CD2 LEU A 29 10.295 5.152 -6.583 1.00 0.00 C ATOM 0 H LEU A 29 9.865 2.739 -5.250 1.00 0.00 H new ATOM 0 HA LEU A 29 10.233 3.899 -2.480 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.348 6.015 -3.515 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.891 5.572 -4.219 1.00 0.00 H new ATOM 0 HG LEU A 29 8.569 4.324 -5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.885 6.425 -6.714 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.572 6.509 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 29 8.980 7.349 -5.658 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.837 5.111 -7.571 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.922 6.041 -6.510 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.906 4.263 -6.429 1.00 0.00 H new ATOM 473 N CYS A 30 7.416 4.410 -3.085 1.00 0.00 N ATOM 474 CA CYS A 30 5.984 4.052 -2.864 1.00 0.00 C ATOM 475 C CYS A 30 5.097 4.680 -3.941 1.00 0.00 C ATOM 476 O CYS A 30 5.423 5.699 -4.516 1.00 0.00 O ATOM 477 CB CYS A 30 5.632 4.631 -1.493 1.00 0.00 C ATOM 478 SG CYS A 30 6.488 3.698 -0.202 1.00 0.00 S ATOM 0 H CYS A 30 7.618 5.410 -3.096 1.00 0.00 H new ATOM 0 HA CYS A 30 5.827 2.974 -2.911 1.00 0.00 H new ATOM 0 HB2 CYS A 30 5.918 5.682 -1.447 1.00 0.00 H new ATOM 0 HB3 CYS A 30 4.555 4.587 -1.334 1.00 0.00 H new ATOM 483 N GLN A 31 3.970 4.079 -4.206 1.00 0.00 N ATOM 484 CA GLN A 31 3.044 4.635 -5.232 1.00 0.00 C ATOM 485 C GLN A 31 1.600 4.488 -4.746 1.00 0.00 C ATOM 486 O GLN A 31 1.312 3.702 -3.864 1.00 0.00 O ATOM 487 CB GLN A 31 3.290 3.800 -6.489 1.00 0.00 C ATOM 488 CG GLN A 31 4.741 3.979 -6.942 1.00 0.00 C ATOM 489 CD GLN A 31 4.817 3.910 -8.469 1.00 0.00 C ATOM 490 OE1 GLN A 31 3.820 4.061 -9.146 1.00 0.00 O ATOM 491 NE2 GLN A 31 5.969 3.690 -9.042 1.00 0.00 N ATOM 0 H GLN A 31 3.649 3.223 -3.754 1.00 0.00 H new ATOM 0 HA GLN A 31 3.212 5.695 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.088 2.748 -6.286 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.609 4.108 -7.283 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.126 4.937 -6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.368 3.204 -6.502 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.806 3.563 -8.473 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.032 3.645 -10.059 1.00 0.00 H new ATOM 500 N THR A 32 0.691 5.241 -5.297 1.00 0.00 N ATOM 501 CA THR A 32 -0.726 5.140 -4.846 1.00 0.00 C ATOM 502 C THR A 32 -1.445 4.003 -5.572 1.00 0.00 C ATOM 503 O THR A 32 -1.206 3.743 -6.734 1.00 0.00 O ATOM 504 CB THR A 32 -1.351 6.489 -5.206 1.00 0.00 C ATOM 505 OG1 THR A 32 -0.836 6.931 -6.455 1.00 0.00 O ATOM 506 CG2 THR A 32 -1.014 7.512 -4.123 1.00 0.00 C ATOM 0 H THR A 32 0.866 5.920 -6.038 1.00 0.00 H new ATOM 0 HA THR A 32 -0.802 4.923 -3.780 1.00 0.00 H new ATOM 0 HB THR A 32 -2.433 6.381 -5.278 1.00 0.00 H new ATOM 0 HG1 THR A 32 -0.776 6.171 -7.071 1.00 0.00 H new ATOM 0 HG21 THR A 32 -1.459 8.473 -4.379 1.00 0.00 H new ATOM 0 HG22 THR A 32 -1.410 7.172 -3.166 1.00 0.00 H new ATOM 0 HG23 THR A 32 0.068 7.621 -4.050 1.00 0.00 H new ATOM 514 N PHE A 33 -2.333 3.332 -4.889 1.00 0.00 N ATOM 515 CA PHE A 33 -3.086 2.217 -5.533 1.00 0.00 C ATOM 516 C PHE A 33 -4.551 2.259 -5.099 1.00 0.00 C ATOM 517 O PHE A 33 -4.903 2.891 -4.123 1.00 0.00 O ATOM 518 CB PHE A 33 -2.405 0.928 -5.057 1.00 0.00 C ATOM 519 CG PHE A 33 -2.844 0.583 -3.650 1.00 0.00 C ATOM 520 CD1 PHE A 33 -2.207 1.167 -2.546 1.00 0.00 C ATOM 521 CD2 PHE A 33 -3.887 -0.333 -3.449 1.00 0.00 C ATOM 522 CE1 PHE A 33 -2.611 0.838 -1.249 1.00 0.00 C ATOM 523 CE2 PHE A 33 -4.290 -0.662 -2.148 1.00 0.00 C ATOM 524 CZ PHE A 33 -3.653 -0.076 -1.048 1.00 0.00 C ATOM 0 H PHE A 33 -2.570 3.508 -3.913 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.076 2.286 -6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.652 0.109 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -1.322 1.050 -5.087 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -1.403 1.872 -2.698 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.380 -0.785 -4.297 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.119 1.289 -0.400 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -5.093 -1.368 -1.994 1.00 0.00 H new ATOM 0 HZ PHE A 33 -3.965 -0.328 -0.045 1.00 0.00 H new ATOM 534 N VAL A 34 -5.408 1.598 -5.820 1.00 0.00 N ATOM 535 CA VAL A 34 -6.853 1.608 -5.453 1.00 0.00 C ATOM 536 C VAL A 34 -7.085 0.716 -4.232 1.00 0.00 C ATOM 537 O VAL A 34 -6.762 -0.453 -4.240 1.00 0.00 O ATOM 538 CB VAL A 34 -7.574 1.050 -6.680 1.00 0.00 C ATOM 539 CG1 VAL A 34 -9.079 1.282 -6.538 1.00 0.00 C ATOM 540 CG2 VAL A 34 -7.067 1.765 -7.934 1.00 0.00 C ATOM 0 H VAL A 34 -5.173 1.050 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.213 2.603 -5.192 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.377 -0.019 -6.762 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -9.593 0.884 -7.413 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -9.442 0.777 -5.643 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -9.276 2.351 -6.456 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.579 1.369 -8.811 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.266 2.833 -7.849 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.994 1.603 -8.037 1.00 0.00 H new ATOM 550 N TYR A 35 -7.631 1.262 -3.178 1.00 0.00 N ATOM 551 CA TYR A 35 -7.867 0.445 -1.950 1.00 0.00 C ATOM 552 C TYR A 35 -9.334 -0.004 -1.885 1.00 0.00 C ATOM 553 O TYR A 35 -10.225 0.689 -2.337 1.00 0.00 O ATOM 554 CB TYR A 35 -7.533 1.391 -0.795 1.00 0.00 C ATOM 555 CG TYR A 35 -7.807 0.714 0.526 1.00 0.00 C ATOM 556 CD1 TYR A 35 -7.602 -0.665 0.665 1.00 0.00 C ATOM 557 CD2 TYR A 35 -8.255 1.468 1.618 1.00 0.00 C ATOM 558 CE1 TYR A 35 -7.847 -1.288 1.894 1.00 0.00 C ATOM 559 CE2 TYR A 35 -8.501 0.844 2.847 1.00 0.00 C ATOM 560 CZ TYR A 35 -8.296 -0.534 2.986 1.00 0.00 C ATOM 561 OH TYR A 35 -8.537 -1.149 4.198 1.00 0.00 O ATOM 0 H TYR A 35 -7.924 2.237 -3.113 1.00 0.00 H new ATOM 0 HA TYR A 35 -7.265 -0.463 -1.924 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.486 1.689 -0.850 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -8.128 2.301 -0.876 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -7.255 -1.247 -0.176 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.411 2.531 1.512 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -7.690 -2.351 2.001 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.849 1.426 3.688 1.00 0.00 H new ATOM 0 HH TYR A 35 -8.842 -0.482 4.848 1.00 0.00 H new ATOM 571 N GLY A 36 -9.591 -1.166 -1.342 1.00 0.00 N ATOM 572 CA GLY A 36 -10.995 -1.662 -1.264 1.00 0.00 C ATOM 573 C GLY A 36 -11.635 -1.246 0.065 1.00 0.00 C ATOM 574 O GLY A 36 -12.804 -1.483 0.295 1.00 0.00 O ATOM 0 H GLY A 36 -8.888 -1.792 -0.949 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -11.575 -1.262 -2.095 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -11.010 -2.748 -1.358 1.00 0.00 H new ATOM 578 N ALA A 37 -10.882 -0.629 0.940 1.00 0.00 N ATOM 579 CA ALA A 37 -11.454 -0.198 2.257 1.00 0.00 C ATOM 580 C ALA A 37 -11.684 -1.405 3.175 1.00 0.00 C ATOM 581 O ALA A 37 -12.103 -1.260 4.306 1.00 0.00 O ATOM 582 CB ALA A 37 -12.786 0.483 1.926 1.00 0.00 C ATOM 0 H ALA A 37 -9.897 -0.404 0.802 1.00 0.00 H new ATOM 0 HA ALA A 37 -10.775 0.472 2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.259 0.824 2.847 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.606 1.337 1.273 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -13.442 -0.227 1.422 1.00 0.00 H new ATOM 588 N CYS A 38 -11.410 -2.594 2.706 1.00 0.00 N ATOM 589 CA CYS A 38 -11.613 -3.796 3.567 1.00 0.00 C ATOM 590 C CYS A 38 -10.555 -4.857 3.251 1.00 0.00 C ATOM 591 O CYS A 38 -9.793 -4.726 2.313 1.00 0.00 O ATOM 592 CB CYS A 38 -13.007 -4.312 3.214 1.00 0.00 C ATOM 593 SG CYS A 38 -13.057 -4.765 1.463 1.00 0.00 S ATOM 0 H CYS A 38 -11.056 -2.784 1.768 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.524 -3.561 4.628 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -13.254 -5.176 3.831 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -13.754 -3.546 3.424 1.00 0.00 H new ATOM 598 N ARG A 39 -10.501 -5.906 4.027 1.00 0.00 N ATOM 599 CA ARG A 39 -9.490 -6.973 3.770 1.00 0.00 C ATOM 600 C ARG A 39 -8.140 -6.341 3.420 1.00 0.00 C ATOM 601 O ARG A 39 -7.345 -6.908 2.700 1.00 0.00 O ATOM 602 CB ARG A 39 -10.041 -7.761 2.579 1.00 0.00 C ATOM 603 CG ARG A 39 -10.966 -8.870 3.082 1.00 0.00 C ATOM 604 CD ARG A 39 -11.603 -9.586 1.889 1.00 0.00 C ATOM 605 NE ARG A 39 -11.825 -10.983 2.353 1.00 0.00 N ATOM 606 CZ ARG A 39 -10.984 -11.924 2.019 1.00 0.00 C ATOM 607 NH1 ARG A 39 -11.107 -12.533 0.871 1.00 0.00 N ATOM 608 NH2 ARG A 39 -10.018 -12.253 2.831 1.00 0.00 N ATOM 0 H ARG A 39 -11.112 -6.070 4.827 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.328 -7.611 4.639 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.586 -7.095 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.221 -8.191 2.003 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -10.403 -9.580 3.687 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.741 -8.449 3.723 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.541 -9.112 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -10.949 -9.559 1.017 1.00 0.00 H new ATOM 0 HE ARG A 39 -12.635 -11.205 2.932 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -11.861 -12.274 0.234 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -10.450 -13.268 0.611 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -9.920 -11.775 3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -9.361 -12.988 2.570 1.00 0.00 H new ATOM 622 N ALA A 40 -7.882 -5.164 3.923 1.00 0.00 N ATOM 623 CA ALA A 40 -6.590 -4.485 3.616 1.00 0.00 C ATOM 624 C ALA A 40 -5.409 -5.284 4.176 1.00 0.00 C ATOM 625 O ALA A 40 -5.570 -6.143 5.020 1.00 0.00 O ATOM 626 CB ALA A 40 -6.689 -3.124 4.307 1.00 0.00 C ATOM 0 H ALA A 40 -8.511 -4.643 4.534 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.422 -4.394 2.543 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.774 -2.559 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.540 -2.573 3.906 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -6.824 -3.269 5.379 1.00 0.00 H new ATOM 632 N LYS A 41 -4.223 -5.000 3.711 1.00 0.00 N ATOM 633 CA LYS A 41 -3.023 -5.730 4.211 1.00 0.00 C ATOM 634 C LYS A 41 -1.967 -4.721 4.675 1.00 0.00 C ATOM 635 O LYS A 41 -2.227 -3.536 4.755 1.00 0.00 O ATOM 636 CB LYS A 41 -2.515 -6.532 3.013 1.00 0.00 C ATOM 637 CG LYS A 41 -3.696 -7.217 2.318 1.00 0.00 C ATOM 638 CD LYS A 41 -3.174 -8.287 1.354 1.00 0.00 C ATOM 639 CE LYS A 41 -4.223 -9.392 1.199 1.00 0.00 C ATOM 640 NZ LYS A 41 -3.746 -10.504 2.068 1.00 0.00 N ATOM 0 H LYS A 41 -4.033 -4.291 3.003 1.00 0.00 H new ATOM 0 HA LYS A 41 -3.248 -6.377 5.059 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -2.000 -5.874 2.313 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.791 -7.277 3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.354 -7.671 3.059 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -4.288 -6.481 1.774 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.954 -7.841 0.384 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.241 -8.707 1.731 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -5.209 -9.046 1.508 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -4.308 -9.712 0.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.415 -11.298 2.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.808 -10.818 1.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.681 -10.173 3.052 1.00 0.00 H new ATOM 654 N ARG A 42 -0.779 -5.170 4.979 1.00 0.00 N ATOM 655 CA ARG A 42 0.274 -4.214 5.434 1.00 0.00 C ATOM 656 C ARG A 42 0.709 -3.325 4.265 1.00 0.00 C ATOM 657 O ARG A 42 1.269 -2.263 4.454 1.00 0.00 O ATOM 658 CB ARG A 42 1.447 -5.074 5.921 1.00 0.00 C ATOM 659 CG ARG A 42 0.925 -6.304 6.667 1.00 0.00 C ATOM 660 CD ARG A 42 1.853 -6.620 7.842 1.00 0.00 C ATOM 661 NE ARG A 42 2.138 -8.077 7.727 1.00 0.00 N ATOM 662 CZ ARG A 42 3.022 -8.632 8.508 1.00 0.00 C ATOM 663 NH1 ARG A 42 4.196 -8.083 8.658 1.00 0.00 N ATOM 664 NH2 ARG A 42 2.732 -9.736 9.140 1.00 0.00 N ATOM 0 H ARG A 42 -0.493 -6.148 4.933 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.089 -3.559 6.226 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.056 -5.385 5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.090 -4.487 6.577 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.087 -6.121 7.028 1.00 0.00 H new ATOM 0 HG3 ARG A 42 0.873 -7.158 5.991 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.770 -6.033 7.790 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.378 -6.385 8.794 1.00 0.00 H new ATOM 0 HE ARG A 42 1.642 -8.641 7.037 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.422 -7.220 8.164 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.888 -8.517 9.269 1.00 0.00 H new ATOM 0 HH21 ARG A 42 1.814 -10.165 9.023 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.423 -10.171 9.751 1.00 0.00 H new ATOM 678 N ASN A 43 0.448 -3.750 3.059 1.00 0.00 N ATOM 679 CA ASN A 43 0.836 -2.930 1.875 1.00 0.00 C ATOM 680 C ASN A 43 -0.291 -1.950 1.534 1.00 0.00 C ATOM 681 O ASN A 43 -0.937 -2.057 0.511 1.00 0.00 O ATOM 682 CB ASN A 43 1.035 -3.938 0.741 1.00 0.00 C ATOM 683 CG ASN A 43 1.978 -3.348 -0.308 1.00 0.00 C ATOM 684 OD1 ASN A 43 1.546 -2.930 -1.363 1.00 0.00 O ATOM 685 ND2 ASN A 43 3.260 -3.300 -0.063 1.00 0.00 N ATOM 0 H ASN A 43 -0.018 -4.631 2.842 1.00 0.00 H new ATOM 0 HA ASN A 43 1.735 -2.339 2.051 1.00 0.00 H new ATOM 0 HB2 ASN A 43 1.448 -4.867 1.135 1.00 0.00 H new ATOM 0 HB3 ASN A 43 0.075 -4.183 0.286 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.898 -2.911 -0.758 1.00 0.00 H new ATOM 0 HD22 ASN A 43 3.623 -3.651 0.823 1.00 0.00 H new ATOM 692 N ASN A 44 -0.537 -1.001 2.394 1.00 0.00 N ATOM 693 CA ASN A 44 -1.627 -0.015 2.140 1.00 0.00 C ATOM 694 C ASN A 44 -1.510 1.136 3.141 1.00 0.00 C ATOM 695 O ASN A 44 -2.173 1.154 4.159 1.00 0.00 O ATOM 696 CB ASN A 44 -2.919 -0.807 2.368 1.00 0.00 C ATOM 697 CG ASN A 44 -4.131 0.123 2.278 1.00 0.00 C ATOM 698 OD1 ASN A 44 -3.988 1.328 2.223 1.00 0.00 O ATOM 699 ND2 ASN A 44 -5.331 -0.396 2.260 1.00 0.00 N ATOM 0 H ASN A 44 -0.027 -0.865 3.267 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.590 0.421 1.142 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.004 -1.600 1.625 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.892 -1.288 3.346 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.148 0.211 2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -5.450 -1.408 2.306 1.00 0.00 H new ATOM 706 N PHE A 45 -0.658 2.087 2.869 1.00 0.00 N ATOM 707 CA PHE A 45 -0.484 3.224 3.819 1.00 0.00 C ATOM 708 C PHE A 45 -1.334 4.421 3.387 1.00 0.00 C ATOM 709 O PHE A 45 -1.567 4.641 2.215 1.00 0.00 O ATOM 710 CB PHE A 45 1.007 3.568 3.749 1.00 0.00 C ATOM 711 CG PHE A 45 1.828 2.297 3.808 1.00 0.00 C ATOM 712 CD1 PHE A 45 2.203 1.759 5.047 1.00 0.00 C ATOM 713 CD2 PHE A 45 2.215 1.659 2.622 1.00 0.00 C ATOM 714 CE1 PHE A 45 2.964 0.582 5.099 1.00 0.00 C ATOM 715 CE2 PHE A 45 2.977 0.481 2.675 1.00 0.00 C ATOM 716 CZ PHE A 45 3.351 -0.057 3.914 1.00 0.00 C ATOM 0 H PHE A 45 -0.076 2.126 2.032 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.800 2.968 4.830 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.222 4.109 2.827 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.277 4.226 4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.906 2.251 5.961 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.927 2.073 1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.252 0.168 6.054 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.275 -0.011 1.761 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.937 -0.963 3.955 1.00 0.00 H new ATOM 726 N LYS A 46 -1.794 5.200 4.328 1.00 0.00 N ATOM 727 CA LYS A 46 -2.624 6.387 3.975 1.00 0.00 C ATOM 728 C LYS A 46 -1.759 7.437 3.277 1.00 0.00 C ATOM 729 O LYS A 46 -2.233 8.213 2.471 1.00 0.00 O ATOM 730 CB LYS A 46 -3.140 6.923 5.312 1.00 0.00 C ATOM 731 CG LYS A 46 -3.669 5.765 6.160 1.00 0.00 C ATOM 732 CD LYS A 46 -4.828 6.256 7.030 1.00 0.00 C ATOM 733 CE LYS A 46 -4.497 6.019 8.506 1.00 0.00 C ATOM 734 NZ LYS A 46 -3.602 7.146 8.886 1.00 0.00 N ATOM 0 H LYS A 46 -1.631 5.066 5.326 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.439 6.137 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.339 7.439 5.842 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.931 7.653 5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.003 4.952 5.516 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.872 5.367 6.788 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.006 7.317 6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.745 5.730 6.763 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.400 6.009 9.116 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.004 5.058 8.651 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.332 7.053 9.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.748 7.126 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.100 8.048 8.745 1.00 0.00 H new ATOM 748 N SER A 47 -0.491 7.464 3.580 1.00 0.00 N ATOM 749 CA SER A 47 0.410 8.460 2.935 1.00 0.00 C ATOM 750 C SER A 47 1.722 7.793 2.521 1.00 0.00 C ATOM 751 O SER A 47 2.096 6.761 3.042 1.00 0.00 O ATOM 752 CB SER A 47 0.663 9.520 4.005 1.00 0.00 C ATOM 753 OG SER A 47 1.376 8.937 5.087 1.00 0.00 O ATOM 0 H SER A 47 -0.039 6.839 4.247 1.00 0.00 H new ATOM 0 HA SER A 47 -0.028 8.889 2.034 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.232 10.349 3.584 1.00 0.00 H new ATOM 0 HB3 SER A 47 -0.283 9.930 4.357 1.00 0.00 H new ATOM 0 HG SER A 47 1.541 9.616 5.774 1.00 0.00 H new ATOM 759 N ALA A 48 2.425 8.375 1.593 1.00 0.00 N ATOM 760 CA ALA A 48 3.715 7.775 1.145 1.00 0.00 C ATOM 761 C ALA A 48 4.753 7.863 2.267 1.00 0.00 C ATOM 762 O ALA A 48 5.729 7.140 2.283 1.00 0.00 O ATOM 763 CB ALA A 48 4.149 8.616 -0.053 1.00 0.00 C ATOM 0 H ALA A 48 2.164 9.242 1.123 1.00 0.00 H new ATOM 0 HA ALA A 48 3.613 6.721 0.886 1.00 0.00 H new ATOM 0 HB1 ALA A 48 5.094 8.236 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.388 8.560 -0.832 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.275 9.653 0.257 1.00 0.00 H new ATOM 769 N GLU A 49 4.547 8.747 3.205 1.00 0.00 N ATOM 770 CA GLU A 49 5.519 8.888 4.327 1.00 0.00 C ATOM 771 C GLU A 49 5.522 7.618 5.179 1.00 0.00 C ATOM 772 O GLU A 49 6.558 7.129 5.581 1.00 0.00 O ATOM 773 CB GLU A 49 5.014 10.081 5.140 1.00 0.00 C ATOM 774 CG GLU A 49 6.180 10.706 5.907 1.00 0.00 C ATOM 775 CD GLU A 49 5.971 12.219 6.012 1.00 0.00 C ATOM 776 OE1 GLU A 49 5.380 12.779 5.103 1.00 0.00 O ATOM 777 OE2 GLU A 49 6.407 12.791 6.997 1.00 0.00 O ATOM 0 H GLU A 49 3.747 9.378 3.243 1.00 0.00 H new ATOM 0 HA GLU A 49 6.540 9.039 3.977 1.00 0.00 H new ATOM 0 HB2 GLU A 49 4.562 10.820 4.479 1.00 0.00 H new ATOM 0 HB3 GLU A 49 4.239 9.759 5.835 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.250 10.268 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.120 10.493 5.398 1.00 0.00 H new ATOM 784 N ASP A 50 4.368 7.073 5.444 1.00 0.00 N ATOM 785 CA ASP A 50 4.305 5.827 6.257 1.00 0.00 C ATOM 786 C ASP A 50 4.844 4.664 5.427 1.00 0.00 C ATOM 787 O ASP A 50 5.566 3.816 5.914 1.00 0.00 O ATOM 788 CB ASP A 50 2.821 5.630 6.569 1.00 0.00 C ATOM 789 CG ASP A 50 2.403 6.582 7.690 1.00 0.00 C ATOM 790 OD1 ASP A 50 2.910 7.692 7.719 1.00 0.00 O ATOM 791 OD2 ASP A 50 1.584 6.186 8.502 1.00 0.00 O ATOM 0 H ASP A 50 3.467 7.436 5.133 1.00 0.00 H new ATOM 0 HA ASP A 50 4.898 5.882 7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.223 5.817 5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.635 4.598 6.866 1.00 0.00 H new ATOM 796 N CYS A 51 4.508 4.633 4.168 1.00 0.00 N ATOM 797 CA CYS A 51 5.008 3.544 3.283 1.00 0.00 C ATOM 798 C CYS A 51 6.526 3.650 3.156 1.00 0.00 C ATOM 799 O CYS A 51 7.241 2.670 3.219 1.00 0.00 O ATOM 800 CB CYS A 51 4.346 3.798 1.929 1.00 0.00 C ATOM 801 SG CYS A 51 5.019 2.649 0.704 1.00 0.00 S ATOM 0 H CYS A 51 3.906 5.318 3.712 1.00 0.00 H new ATOM 0 HA CYS A 51 4.776 2.551 3.668 1.00 0.00 H new ATOM 0 HB2 CYS A 51 3.267 3.669 2.010 1.00 0.00 H new ATOM 0 HB3 CYS A 51 4.521 4.827 1.614 1.00 0.00 H new ATOM 806 N MET A 52 7.019 4.844 2.967 1.00 0.00 N ATOM 807 CA MET A 52 8.490 5.038 2.822 1.00 0.00 C ATOM 808 C MET A 52 9.209 4.729 4.139 1.00 0.00 C ATOM 809 O MET A 52 10.030 3.839 4.210 1.00 0.00 O ATOM 810 CB MET A 52 8.657 6.512 2.454 1.00 0.00 C ATOM 811 CG MET A 52 9.912 6.685 1.597 1.00 0.00 C ATOM 812 SD MET A 52 11.366 6.179 2.548 1.00 0.00 S ATOM 813 CE MET A 52 12.185 5.250 1.229 1.00 0.00 C ATOM 0 H MET A 52 6.463 5.697 2.907 1.00 0.00 H new ATOM 0 HA MET A 52 8.918 4.374 2.071 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.781 6.863 1.909 1.00 0.00 H new ATOM 0 HB3 MET A 52 8.734 7.117 3.357 1.00 0.00 H new ATOM 0 HG2 MET A 52 9.831 6.086 0.690 1.00 0.00 H new ATOM 0 HG3 MET A 52 10.012 7.725 1.285 1.00 0.00 H new ATOM 0 HE1 MET A 52 13.124 4.840 1.602 1.00 0.00 H new ATOM 0 HE2 MET A 52 11.538 4.436 0.901 1.00 0.00 H new ATOM 0 HE3 MET A 52 12.388 5.914 0.388 1.00 0.00 H new ATOM 823 N ARG A 53 8.919 5.461 5.179 1.00 0.00 N ATOM 824 CA ARG A 53 9.603 5.205 6.479 1.00 0.00 C ATOM 825 C ARG A 53 9.421 3.745 6.906 1.00 0.00 C ATOM 826 O ARG A 53 10.162 3.232 7.721 1.00 0.00 O ATOM 827 CB ARG A 53 8.939 6.157 7.478 1.00 0.00 C ATOM 828 CG ARG A 53 7.555 5.632 7.866 1.00 0.00 C ATOM 829 CD ARG A 53 7.509 5.391 9.376 1.00 0.00 C ATOM 830 NE ARG A 53 6.863 6.608 9.942 1.00 0.00 N ATOM 831 CZ ARG A 53 7.077 6.944 11.185 1.00 0.00 C ATOM 832 NH1 ARG A 53 6.906 6.066 12.136 1.00 0.00 N ATOM 833 NH2 ARG A 53 7.464 8.156 11.476 1.00 0.00 N ATOM 0 H ARG A 53 8.241 6.223 5.186 1.00 0.00 H new ATOM 0 HA ARG A 53 10.678 5.375 6.416 1.00 0.00 H new ATOM 0 HB2 ARG A 53 9.562 6.255 8.367 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.850 7.151 7.040 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.787 6.350 7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.342 4.706 7.332 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.938 4.494 9.615 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.510 5.250 9.784 1.00 0.00 H new ATOM 0 HE ARG A 53 6.253 7.179 9.358 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.605 5.118 11.907 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.073 6.328 13.108 1.00 0.00 H new ATOM 0 HH21 ARG A 53 7.599 8.841 10.732 1.00 0.00 H new ATOM 0 HH22 ARG A 53 7.631 8.419 12.447 1.00 0.00 H new ATOM 847 N THR A 54 8.446 3.067 6.360 1.00 0.00 N ATOM 848 CA THR A 54 8.231 1.640 6.740 1.00 0.00 C ATOM 849 C THR A 54 8.921 0.717 5.735 1.00 0.00 C ATOM 850 O THR A 54 9.733 -0.113 6.093 1.00 0.00 O ATOM 851 CB THR A 54 6.716 1.430 6.697 1.00 0.00 C ATOM 852 OG1 THR A 54 6.104 2.204 7.720 1.00 0.00 O ATOM 853 CG2 THR A 54 6.402 -0.052 6.913 1.00 0.00 C ATOM 0 H THR A 54 7.792 3.438 5.670 1.00 0.00 H new ATOM 0 HA THR A 54 8.644 1.415 7.723 1.00 0.00 H new ATOM 0 HB THR A 54 6.329 1.743 5.727 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.934 3.110 7.387 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.323 -0.203 6.883 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.873 -0.642 6.127 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.786 -0.368 7.883 1.00 0.00 H new ATOM 861 N CYS A 55 8.597 0.852 4.479 1.00 0.00 N ATOM 862 CA CYS A 55 9.226 -0.022 3.449 1.00 0.00 C ATOM 863 C CYS A 55 10.562 0.580 2.998 1.00 0.00 C ATOM 864 O CYS A 55 11.243 0.043 2.149 1.00 0.00 O ATOM 865 CB CYS A 55 8.228 -0.031 2.290 1.00 0.00 C ATOM 866 SG CYS A 55 6.588 -0.493 2.902 1.00 0.00 S ATOM 0 H CYS A 55 7.924 1.530 4.121 1.00 0.00 H new ATOM 0 HA CYS A 55 9.435 -1.025 3.821 1.00 0.00 H new ATOM 0 HB2 CYS A 55 8.189 0.953 1.823 1.00 0.00 H new ATOM 0 HB3 CYS A 55 8.552 -0.735 1.523 1.00 0.00 H new