USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 468 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 NoAdj-H: A 210 HIS HE2 : A 210 HIS NE2 : A 300 ZNZN :(H bumps) USER MOD NoAdj-H: A 238 HIS HE2 : A 238 HIS NE2 : A 400 ZNZN :(H bumps) USER MOD Single : A 184 SER OG : rot 180:sc= 0 USER MOD Single : A 185 SER OG : rot 180:sc= 0 USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 190 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0944) USER MOD Single : A 192 THR OG1 : rot 29:sc= 0.0428 USER MOD Single : A 193 GLN : amide:sc= -4.36 K(o=-4.4,f=-16!) USER MOD Single : A 196 THR OG1 : rot 180:sc= 0 USER MOD Single : A 197 TYR OH : rot 180:sc= 0 USER MOD Single : A 199 THR OG1 : rot 9:sc= 0.455 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= -0.726 (180deg=-0.726) USER MOD Single : A 206 THR OG1 : rot -29:sc= 1.19 USER MOD Single : A 208 GLN : amide:sc= 0.0306 X(o=0.031,f=-0.047) USER MOD Single : A 209 SER OG : rot 180:sc= -0.0336 USER MOD Single : A 211 GLN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc=-0.00953 X(o=-0.0095,f=0) USER MOD Single : A 223 ASN : amide:sc= 0 X(o=0,f=-0.25) USER MOD Single : A 224 GLN : amide:sc= -0.178 X(o=-0.18,f=-0.11) USER MOD Single : A 229 THR OG1 : rot 28:sc= 0.147 USER MOD Single : A 240 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 244 ASN : amide:sc= -0.067 K(o=-0.067,f=-2.6!) USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 183 -37.030 -20.748 10.213 1.00 0.00 N ATOM 2 CA GLY A 183 -36.388 -19.497 9.852 1.00 0.00 C ATOM 3 C GLY A 183 -34.957 -19.691 9.392 1.00 0.00 C ATOM 4 O GLY A 183 -34.092 -20.075 10.178 1.00 0.00 O ATOM 0 HA2 GLY A 183 -36.959 -19.015 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -36.403 -18.824 10.709 1.00 0.00 H new ATOM 8 N SER A 184 -34.708 -19.426 8.114 1.00 0.00 N ATOM 9 CA SER A 184 -33.372 -19.579 7.548 1.00 0.00 C ATOM 10 C SER A 184 -33.179 -18.649 6.354 1.00 0.00 C ATOM 11 O SER A 184 -34.145 -18.144 5.783 1.00 0.00 O ATOM 12 CB SER A 184 -33.138 -21.030 7.123 1.00 0.00 C ATOM 13 OG SER A 184 -33.752 -21.300 5.874 1.00 0.00 O ATOM 0 H SER A 184 -35.413 -19.104 7.451 1.00 0.00 H new ATOM 0 HA SER A 184 -32.646 -19.312 8.316 1.00 0.00 H new ATOM 0 HB2 SER A 184 -32.068 -21.225 7.055 1.00 0.00 H new ATOM 0 HB3 SER A 184 -33.537 -21.703 7.881 1.00 0.00 H new ATOM 0 HG SER A 184 -33.587 -22.233 5.623 1.00 0.00 H new ATOM 19 N SER A 185 -31.922 -18.429 5.981 1.00 0.00 N ATOM 20 CA SER A 185 -31.599 -17.557 4.857 1.00 0.00 C ATOM 21 C SER A 185 -30.505 -18.172 3.990 1.00 0.00 C ATOM 22 O SER A 185 -29.631 -18.882 4.485 1.00 0.00 O ATOM 23 CB SER A 185 -31.155 -16.183 5.361 1.00 0.00 C ATOM 24 OG SER A 185 -32.249 -15.458 5.897 1.00 0.00 O ATOM 0 H SER A 185 -31.111 -18.842 6.441 1.00 0.00 H new ATOM 0 HA SER A 185 -32.497 -17.440 4.250 1.00 0.00 H new ATOM 0 HB2 SER A 185 -30.386 -16.303 6.124 1.00 0.00 H new ATOM 0 HB3 SER A 185 -30.707 -15.619 4.543 1.00 0.00 H new ATOM 0 HG SER A 185 -31.939 -14.584 6.214 1.00 0.00 H new ATOM 30 N GLY A 186 -30.561 -17.893 2.691 1.00 0.00 N ATOM 31 CA GLY A 186 -29.570 -18.425 1.774 1.00 0.00 C ATOM 32 C GLY A 186 -29.234 -17.457 0.657 1.00 0.00 C ATOM 33 O GLY A 186 -29.247 -17.825 -0.517 1.00 0.00 O ATOM 0 H GLY A 186 -31.275 -17.308 2.257 1.00 0.00 H new ATOM 0 HA2 GLY A 186 -28.662 -18.667 2.326 1.00 0.00 H new ATOM 0 HA3 GLY A 186 -29.940 -19.356 1.345 1.00 0.00 H new ATOM 37 N SER A 187 -28.934 -16.215 1.023 1.00 0.00 N ATOM 38 CA SER A 187 -28.598 -15.189 0.042 1.00 0.00 C ATOM 39 C SER A 187 -27.148 -15.324 -0.411 1.00 0.00 C ATOM 40 O SER A 187 -26.342 -15.988 0.241 1.00 0.00 O ATOM 41 CB SER A 187 -28.833 -13.796 0.629 1.00 0.00 C ATOM 42 OG SER A 187 -27.866 -13.489 1.618 1.00 0.00 O ATOM 0 H SER A 187 -28.917 -15.895 1.991 1.00 0.00 H new ATOM 0 HA SER A 187 -29.245 -15.325 -0.825 1.00 0.00 H new ATOM 0 HB2 SER A 187 -28.793 -13.052 -0.166 1.00 0.00 H new ATOM 0 HB3 SER A 187 -29.831 -13.745 1.064 1.00 0.00 H new ATOM 0 HG SER A 187 -28.037 -12.593 1.976 1.00 0.00 H new ATOM 48 N SER A 188 -26.823 -14.690 -1.533 1.00 0.00 N ATOM 49 CA SER A 188 -25.471 -14.741 -2.076 1.00 0.00 C ATOM 50 C SER A 188 -24.776 -13.391 -1.932 1.00 0.00 C ATOM 51 O SER A 188 -24.848 -12.545 -2.822 1.00 0.00 O ATOM 52 CB SER A 188 -25.506 -15.155 -3.549 1.00 0.00 C ATOM 53 OG SER A 188 -24.220 -15.539 -4.002 1.00 0.00 O ATOM 0 H SER A 188 -27.478 -14.135 -2.084 1.00 0.00 H new ATOM 0 HA SER A 188 -24.907 -15.482 -1.510 1.00 0.00 H new ATOM 0 HB2 SER A 188 -26.203 -15.982 -3.681 1.00 0.00 H new ATOM 0 HB3 SER A 188 -25.876 -14.327 -4.154 1.00 0.00 H new ATOM 0 HG SER A 188 -24.270 -15.800 -4.945 1.00 0.00 H new ATOM 59 N GLY A 189 -24.102 -13.197 -0.802 1.00 0.00 N ATOM 60 CA GLY A 189 -23.403 -11.949 -0.561 1.00 0.00 C ATOM 61 C GLY A 189 -21.915 -12.149 -0.348 1.00 0.00 C ATOM 62 O GLY A 189 -21.348 -13.154 -0.778 1.00 0.00 O ATOM 0 H GLY A 189 -24.028 -13.882 -0.050 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -23.559 -11.280 -1.407 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -23.830 -11.460 0.315 1.00 0.00 H new ATOM 66 N LYS A 190 -21.279 -11.188 0.314 1.00 0.00 N ATOM 67 CA LYS A 190 -19.848 -11.262 0.583 1.00 0.00 C ATOM 68 C LYS A 190 -19.519 -10.668 1.949 1.00 0.00 C ATOM 69 O LYS A 190 -19.764 -9.487 2.197 1.00 0.00 O ATOM 70 CB LYS A 190 -19.065 -10.526 -0.507 1.00 0.00 C ATOM 71 CG LYS A 190 -19.334 -11.050 -1.907 1.00 0.00 C ATOM 72 CD LYS A 190 -18.932 -10.038 -2.967 1.00 0.00 C ATOM 73 CE LYS A 190 -17.484 -10.222 -3.394 1.00 0.00 C ATOM 74 NZ LYS A 190 -16.552 -9.421 -2.553 1.00 0.00 N ATOM 0 H LYS A 190 -21.733 -10.348 0.674 1.00 0.00 H new ATOM 0 HA LYS A 190 -19.558 -12.313 0.584 1.00 0.00 H new ATOM 0 HB2 LYS A 190 -19.316 -9.466 -0.470 1.00 0.00 H new ATOM 0 HB3 LYS A 190 -17.999 -10.609 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 190 -18.784 -11.978 -2.061 1.00 0.00 H new ATOM 0 HG3 LYS A 190 -20.393 -11.286 -2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 190 -19.584 -10.140 -3.835 1.00 0.00 H new ATOM 0 HD3 LYS A 190 -19.073 -9.029 -2.580 1.00 0.00 H new ATOM 0 HE2 LYS A 190 -17.217 -11.277 -3.328 1.00 0.00 H new ATOM 0 HE3 LYS A 190 -17.373 -9.930 -4.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 -15.619 -9.381 -3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 -16.925 -8.457 -2.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 -16.460 -9.865 -1.617 1.00 0.00 H new ATOM 88 N ARG A 191 -18.963 -11.493 2.830 1.00 0.00 N ATOM 89 CA ARG A 191 -18.601 -11.048 4.170 1.00 0.00 C ATOM 90 C ARG A 191 -17.249 -10.341 4.161 1.00 0.00 C ATOM 91 O ARG A 191 -16.330 -10.742 3.446 1.00 0.00 O ATOM 92 CB ARG A 191 -18.560 -12.237 5.132 1.00 0.00 C ATOM 93 CG ARG A 191 -18.645 -11.839 6.596 1.00 0.00 C ATOM 94 CD ARG A 191 -18.297 -13.004 7.510 1.00 0.00 C ATOM 95 NE ARG A 191 -17.715 -12.554 8.772 1.00 0.00 N ATOM 96 CZ ARG A 191 -17.337 -13.378 9.742 1.00 0.00 C ATOM 97 NH1 ARG A 191 -17.479 -14.689 9.596 1.00 0.00 N ATOM 98 NH2 ARG A 191 -16.815 -12.893 10.862 1.00 0.00 N ATOM 0 H ARG A 191 -18.753 -12.473 2.640 1.00 0.00 H new ATOM 0 HA ARG A 191 -19.359 -10.342 4.508 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -19.385 -12.911 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -17.637 -12.794 4.969 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -17.966 -11.008 6.789 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -19.652 -11.487 6.821 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -19.195 -13.587 7.713 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -17.595 -13.666 7.003 1.00 0.00 H new ATOM 0 HE ARG A 191 -17.592 -11.552 8.916 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -17.879 -15.066 8.737 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -17.188 -15.320 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -16.704 -11.886 10.978 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -16.525 -13.528 11.606 1.00 0.00 H new ATOM 112 N THR A 192 -17.134 -9.285 4.961 1.00 0.00 N ATOM 113 CA THR A 192 -15.896 -8.520 5.044 1.00 0.00 C ATOM 114 C THR A 192 -15.294 -8.599 6.443 1.00 0.00 C ATOM 115 O THR A 192 -15.989 -8.401 7.439 1.00 0.00 O ATOM 116 CB THR A 192 -16.123 -7.041 4.678 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.177 -6.495 5.478 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.470 -6.896 3.204 1.00 0.00 C ATOM 0 H THR A 192 -17.884 -8.940 5.561 1.00 0.00 H new ATOM 0 HA THR A 192 -15.203 -8.961 4.327 1.00 0.00 H new ATOM 0 HB THR A 192 -15.200 -6.495 4.873 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.213 -6.966 6.337 1.00 0.00 H new ATOM 0 HG21 THR A 192 -16.626 -5.843 2.969 1.00 0.00 H new ATOM 0 HG22 THR A 192 -15.653 -7.286 2.598 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.381 -7.455 2.988 1.00 0.00 H new ATOM 126 N GLN A 193 -13.999 -8.889 6.509 1.00 0.00 N ATOM 127 CA GLN A 193 -13.304 -8.994 7.787 1.00 0.00 C ATOM 128 C GLN A 193 -12.382 -7.799 8.004 1.00 0.00 C ATOM 129 O GLN A 193 -11.392 -7.612 7.297 1.00 0.00 O ATOM 130 CB GLN A 193 -12.499 -10.293 7.848 1.00 0.00 C ATOM 131 CG GLN A 193 -13.280 -11.466 8.418 1.00 0.00 C ATOM 132 CD GLN A 193 -14.258 -12.056 7.421 1.00 0.00 C ATOM 133 OE1 GLN A 193 -14.775 -11.354 6.552 1.00 0.00 O ATOM 134 NE2 GLN A 193 -14.516 -13.353 7.541 1.00 0.00 N ATOM 0 H GLN A 193 -13.410 -9.055 5.693 1.00 0.00 H new ATOM 0 HA GLN A 193 -14.052 -9.001 8.580 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -12.159 -10.547 6.844 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.608 -10.131 8.455 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -12.583 -12.240 8.739 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -13.824 -11.139 9.304 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -14.065 -13.897 8.276 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -15.166 -13.805 6.898 1.00 0.00 H new ATOM 143 N PRO A 194 -12.712 -6.971 9.006 1.00 0.00 N ATOM 144 CA PRO A 194 -11.925 -5.780 9.340 1.00 0.00 C ATOM 145 C PRO A 194 -10.571 -6.131 9.947 1.00 0.00 C ATOM 146 O PRO A 194 -10.483 -6.521 11.111 1.00 0.00 O ATOM 147 CB PRO A 194 -12.799 -5.055 10.367 1.00 0.00 C ATOM 148 CG PRO A 194 -13.633 -6.127 10.980 1.00 0.00 C ATOM 149 CD PRO A 194 -13.878 -7.134 9.890 1.00 0.00 C ATOM 0 HA PRO A 194 -11.695 -5.183 8.458 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -12.191 -4.549 11.117 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -13.419 -4.294 9.893 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -13.120 -6.585 11.826 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -14.573 -5.723 11.357 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.943 -8.147 10.286 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.812 -6.937 9.364 1.00 0.00 H new ATOM 157 N CYS A 195 -9.517 -5.990 9.150 1.00 0.00 N ATOM 158 CA CYS A 195 -8.166 -6.292 9.607 1.00 0.00 C ATOM 159 C CYS A 195 -7.840 -5.524 10.885 1.00 0.00 C ATOM 160 O CYS A 195 -8.299 -4.398 11.081 1.00 0.00 O ATOM 161 CB CYS A 195 -7.148 -5.948 8.518 1.00 0.00 C ATOM 162 SG CYS A 195 -5.429 -6.375 8.946 1.00 0.00 S ATOM 0 H CYS A 195 -9.573 -5.668 8.184 1.00 0.00 H new ATOM 0 HA CYS A 195 -8.112 -7.359 9.821 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.423 -6.469 7.601 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -7.204 -4.880 8.307 1.00 0.00 H new ATOM 167 N THR A 196 -7.042 -6.140 11.752 1.00 0.00 N ATOM 168 CA THR A 196 -6.655 -5.516 13.011 1.00 0.00 C ATOM 169 C THR A 196 -5.380 -4.696 12.848 1.00 0.00 C ATOM 170 O THR A 196 -5.146 -3.740 13.588 1.00 0.00 O ATOM 171 CB THR A 196 -6.438 -6.567 14.116 1.00 0.00 C ATOM 172 OG1 THR A 196 -7.670 -7.239 14.400 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.904 -5.917 15.383 1.00 0.00 C ATOM 0 H THR A 196 -6.651 -7.071 11.605 1.00 0.00 H new ATOM 0 HA THR A 196 -7.473 -4.858 13.302 1.00 0.00 H new ATOM 0 HB THR A 196 -5.704 -7.290 13.761 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.524 -7.907 15.102 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.759 -6.679 16.149 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.952 -5.431 15.169 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.618 -5.175 15.740 1.00 0.00 H new ATOM 181 N TYR A 197 -4.558 -5.075 11.876 1.00 0.00 N ATOM 182 CA TYR A 197 -3.305 -4.375 11.618 1.00 0.00 C ATOM 183 C TYR A 197 -3.564 -3.011 10.985 1.00 0.00 C ATOM 184 O TYR A 197 -3.358 -1.973 11.614 1.00 0.00 O ATOM 185 CB TYR A 197 -2.408 -5.212 10.704 1.00 0.00 C ATOM 186 CG TYR A 197 -1.698 -6.339 11.420 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.405 -7.426 11.919 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.320 -6.316 11.597 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.760 -8.457 12.574 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.333 -7.344 12.249 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.391 -8.412 12.736 1.00 0.00 C ATOM 192 OH TYR A 197 0.255 -9.437 13.388 1.00 0.00 O ATOM 0 H TYR A 197 -4.737 -5.863 11.254 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.800 -4.223 12.572 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -3.012 -5.628 9.898 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.666 -4.561 10.242 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.477 -7.466 11.793 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.250 -5.480 11.219 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -2.325 -9.294 12.957 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.405 -7.312 12.377 1.00 0.00 H new ATOM 0 HH TYR A 197 1.217 -9.252 13.416 1.00 0.00 H new ATOM 202 N CYS A 198 -4.016 -3.022 9.736 1.00 0.00 N ATOM 203 CA CYS A 198 -4.303 -1.788 9.015 1.00 0.00 C ATOM 204 C CYS A 198 -5.621 -1.178 9.484 1.00 0.00 C ATOM 205 O CYS A 198 -6.005 -0.091 9.052 1.00 0.00 O ATOM 206 CB CYS A 198 -4.358 -2.052 7.509 1.00 0.00 C ATOM 207 SG CYS A 198 -5.622 -3.267 7.014 1.00 0.00 S ATOM 0 H CYS A 198 -4.192 -3.873 9.202 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.500 -1.081 9.223 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.551 -1.112 6.993 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.381 -2.403 7.176 1.00 0.00 H new ATOM 212 N THR A 199 -6.311 -1.887 10.373 1.00 0.00 N ATOM 213 CA THR A 199 -7.586 -1.417 10.901 1.00 0.00 C ATOM 214 C THR A 199 -8.520 -0.984 9.777 1.00 0.00 C ATOM 215 O THR A 199 -9.238 0.009 9.900 1.00 0.00 O ATOM 216 CB THR A 199 -7.392 -0.240 11.874 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.825 0.879 11.183 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.488 -0.637 13.031 1.00 0.00 C ATOM 0 H THR A 199 -6.008 -2.788 10.742 1.00 0.00 H new ATOM 0 HA THR A 199 -8.032 -2.253 11.439 1.00 0.00 H new ATOM 0 HB THR A 199 -8.368 0.036 12.274 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.822 0.701 10.219 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.366 0.211 13.705 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.936 -1.470 13.573 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.514 -0.937 12.645 1.00 0.00 H new ATOM 226 N LYS A 200 -8.507 -1.734 8.680 1.00 0.00 N ATOM 227 CA LYS A 200 -9.355 -1.429 7.534 1.00 0.00 C ATOM 228 C LYS A 200 -10.279 -2.600 7.214 1.00 0.00 C ATOM 229 O LYS A 200 -10.066 -3.716 7.685 1.00 0.00 O ATOM 230 CB LYS A 200 -8.495 -1.096 6.312 1.00 0.00 C ATOM 231 CG LYS A 200 -7.864 0.284 6.371 1.00 0.00 C ATOM 232 CD LYS A 200 -7.230 0.664 5.043 1.00 0.00 C ATOM 233 CE LYS A 200 -5.830 0.085 4.908 1.00 0.00 C ATOM 234 NZ LYS A 200 -4.822 0.893 5.648 1.00 0.00 N ATOM 0 H LYS A 200 -7.918 -2.558 8.561 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.968 -0.564 7.787 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.707 -1.843 6.218 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.110 -1.167 5.415 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.622 1.021 6.637 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -7.108 0.306 7.156 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -7.854 0.305 4.225 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -7.186 1.750 4.957 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -5.822 -0.938 5.284 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -5.556 0.039 3.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -3.881 0.466 5.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -4.811 1.863 5.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -5.069 0.916 6.658 1.00 0.00 H new ATOM 248 N GLU A 201 -11.304 -2.336 6.410 1.00 0.00 N ATOM 249 CA GLU A 201 -12.260 -3.369 6.028 1.00 0.00 C ATOM 250 C GLU A 201 -11.864 -4.013 4.702 1.00 0.00 C ATOM 251 O GLU A 201 -11.628 -3.323 3.710 1.00 0.00 O ATOM 252 CB GLU A 201 -13.667 -2.778 5.920 1.00 0.00 C ATOM 253 CG GLU A 201 -14.139 -2.094 7.192 1.00 0.00 C ATOM 254 CD GLU A 201 -15.612 -1.734 7.149 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.024 -1.035 6.199 1.00 0.00 O ATOM 256 OE2 GLU A 201 -16.352 -2.150 8.064 1.00 0.00 O ATOM 0 H GLU A 201 -11.494 -1.417 6.011 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.255 -4.137 6.801 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.688 -2.059 5.101 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.367 -3.573 5.664 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.954 -2.750 8.043 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -13.552 -1.190 7.353 1.00 0.00 H new ATOM 263 N PHE A 202 -11.793 -5.340 4.694 1.00 0.00 N ATOM 264 CA PHE A 202 -11.424 -6.078 3.492 1.00 0.00 C ATOM 265 C PHE A 202 -12.305 -7.312 3.320 1.00 0.00 C ATOM 266 O PHE A 202 -12.929 -7.781 4.271 1.00 0.00 O ATOM 267 CB PHE A 202 -9.952 -6.492 3.553 1.00 0.00 C ATOM 268 CG PHE A 202 -9.000 -5.368 3.259 1.00 0.00 C ATOM 269 CD1 PHE A 202 -8.720 -5.004 1.952 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.387 -4.675 4.290 1.00 0.00 C ATOM 271 CE1 PHE A 202 -7.844 -3.970 1.679 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.510 -3.640 4.024 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.239 -3.287 2.716 1.00 0.00 C ATOM 0 H PHE A 202 -11.986 -5.926 5.506 1.00 0.00 H new ATOM 0 HA PHE A 202 -11.574 -5.423 2.633 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -9.736 -6.891 4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -9.780 -7.299 2.841 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -9.191 -5.534 1.137 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.597 -4.947 5.314 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -7.633 -3.696 0.656 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.038 -3.108 4.837 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.555 -2.478 2.505 1.00 0.00 H new ATOM 283 N VAL A 203 -12.349 -7.834 2.098 1.00 0.00 N ATOM 284 CA VAL A 203 -13.152 -9.014 1.800 1.00 0.00 C ATOM 285 C VAL A 203 -12.571 -10.257 2.464 1.00 0.00 C ATOM 286 O VAL A 203 -11.357 -10.459 2.473 1.00 0.00 O ATOM 287 CB VAL A 203 -13.252 -9.257 0.282 1.00 0.00 C ATOM 288 CG1 VAL A 203 -14.258 -10.357 -0.019 1.00 0.00 C ATOM 289 CG2 VAL A 203 -13.626 -7.970 -0.439 1.00 0.00 C ATOM 0 H VAL A 203 -11.838 -7.458 1.299 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.149 -8.825 2.197 1.00 0.00 H new ATOM 0 HB VAL A 203 -12.277 -9.581 -0.081 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -14.314 -10.514 -1.096 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -13.943 -11.281 0.466 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -15.239 -10.066 0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -13.692 -8.159 -1.510 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -14.589 -7.615 -0.073 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -12.865 -7.213 -0.251 1.00 0.00 H new ATOM 299 N PHE A 204 -13.446 -11.088 3.021 1.00 0.00 N ATOM 300 CA PHE A 204 -13.020 -12.312 3.689 1.00 0.00 C ATOM 301 C PHE A 204 -12.279 -13.230 2.722 1.00 0.00 C ATOM 302 O PHE A 204 -11.332 -13.918 3.104 1.00 0.00 O ATOM 303 CB PHE A 204 -14.228 -13.042 4.280 1.00 0.00 C ATOM 304 CG PHE A 204 -14.847 -14.036 3.338 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.735 -13.621 2.359 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.542 -15.384 3.434 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.306 -14.532 1.490 1.00 0.00 C ATOM 308 CE2 PHE A 204 -15.110 -16.300 2.568 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.994 -15.873 1.596 1.00 0.00 C ATOM 0 H PHE A 204 -14.455 -10.936 3.023 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.339 -12.039 4.495 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.921 -13.558 5.190 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -14.981 -12.308 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -15.984 -12.574 2.274 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.853 -15.723 4.194 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -16.995 -14.195 0.729 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -14.863 -17.348 2.651 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.440 -16.587 0.920 1.00 0.00 H new ATOM 319 N ASP A 205 -12.718 -13.236 1.468 1.00 0.00 N ATOM 320 CA ASP A 205 -12.097 -14.069 0.444 1.00 0.00 C ATOM 321 C ASP A 205 -10.715 -13.538 0.077 1.00 0.00 C ATOM 322 O ASP A 205 -9.911 -14.240 -0.539 1.00 0.00 O ATOM 323 CB ASP A 205 -12.982 -14.127 -0.802 1.00 0.00 C ATOM 324 CG ASP A 205 -12.664 -15.319 -1.682 1.00 0.00 C ATOM 325 OD1 ASP A 205 -11.490 -15.465 -2.082 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.589 -16.107 -1.973 1.00 0.00 O ATOM 0 H ASP A 205 -13.501 -12.674 1.136 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.985 -15.075 0.848 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.028 -14.171 -0.499 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -12.855 -13.210 -1.377 1.00 0.00 H new ATOM 331 N THR A 206 -10.443 -12.294 0.459 1.00 0.00 N ATOM 332 CA THR A 206 -9.159 -11.669 0.168 1.00 0.00 C ATOM 333 C THR A 206 -8.315 -11.535 1.430 1.00 0.00 C ATOM 334 O THR A 206 -7.093 -11.400 1.359 1.00 0.00 O ATOM 335 CB THR A 206 -9.343 -10.276 -0.463 1.00 0.00 C ATOM 336 OG1 THR A 206 -9.838 -9.356 0.516 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.304 -10.338 -1.641 1.00 0.00 C ATOM 0 H THR A 206 -11.095 -11.700 0.971 1.00 0.00 H new ATOM 0 HA THR A 206 -8.645 -12.317 -0.542 1.00 0.00 H new ATOM 0 HB THR A 206 -8.373 -9.934 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 206 -10.374 -9.840 1.178 1.00 0.00 H new ATOM 0 HG21 THR A 206 -10.418 -9.343 -2.070 1.00 0.00 H new ATOM 0 HG22 THR A 206 -9.909 -11.016 -2.397 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.274 -10.700 -1.300 1.00 0.00 H new ATOM 345 N ILE A 207 -8.973 -11.573 2.584 1.00 0.00 N ATOM 346 CA ILE A 207 -8.281 -11.458 3.862 1.00 0.00 C ATOM 347 C ILE A 207 -7.110 -12.432 3.943 1.00 0.00 C ATOM 348 O ILE A 207 -6.222 -12.280 4.781 1.00 0.00 O ATOM 349 CB ILE A 207 -9.234 -11.719 5.043 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.637 -11.167 6.339 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.518 -13.208 5.176 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.910 -9.694 6.551 1.00 0.00 C ATOM 0 H ILE A 207 -9.984 -11.683 2.660 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.906 -10.437 3.927 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.176 -11.206 4.851 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -9.039 -11.728 7.183 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.559 -11.331 6.332 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.193 -13.376 6.015 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -9.981 -13.573 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.584 -13.743 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.458 -9.371 7.489 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.483 -9.123 5.727 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.986 -9.525 6.591 1.00 0.00 H new ATOM 364 N GLN A 208 -7.116 -13.430 3.065 1.00 0.00 N ATOM 365 CA GLN A 208 -6.053 -14.428 3.037 1.00 0.00 C ATOM 366 C GLN A 208 -4.808 -13.878 2.348 1.00 0.00 C ATOM 367 O GLN A 208 -3.686 -14.094 2.806 1.00 0.00 O ATOM 368 CB GLN A 208 -6.530 -15.692 2.321 1.00 0.00 C ATOM 369 CG GLN A 208 -7.313 -15.412 1.048 1.00 0.00 C ATOM 370 CD GLN A 208 -7.526 -16.655 0.208 1.00 0.00 C ATOM 371 OE1 GLN A 208 -6.571 -17.332 -0.174 1.00 0.00 O ATOM 372 NE2 GLN A 208 -8.784 -16.964 -0.085 1.00 0.00 N ATOM 0 H GLN A 208 -7.844 -13.569 2.364 1.00 0.00 H new ATOM 0 HA GLN A 208 -5.796 -14.677 4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -5.666 -16.310 2.077 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -7.154 -16.271 3.001 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -8.281 -14.984 1.308 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -6.783 -14.665 0.457 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.546 -16.375 0.252 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -8.989 -17.790 -0.647 1.00 0.00 H new ATOM 381 N SER A 209 -5.014 -13.166 1.244 1.00 0.00 N ATOM 382 CA SER A 209 -3.908 -12.589 0.490 1.00 0.00 C ATOM 383 C SER A 209 -3.502 -11.237 1.069 1.00 0.00 C ATOM 384 O SER A 209 -2.316 -10.949 1.231 1.00 0.00 O ATOM 385 CB SER A 209 -4.295 -12.431 -0.982 1.00 0.00 C ATOM 386 OG SER A 209 -5.373 -11.523 -1.131 1.00 0.00 O ATOM 0 H SER A 209 -5.936 -12.975 0.853 1.00 0.00 H new ATOM 0 HA SER A 209 -3.057 -13.266 0.564 1.00 0.00 H new ATOM 0 HB2 SER A 209 -3.436 -12.077 -1.551 1.00 0.00 H new ATOM 0 HB3 SER A 209 -4.573 -13.401 -1.394 1.00 0.00 H new ATOM 0 HG SER A 209 -5.600 -11.438 -2.080 1.00 0.00 H new ATOM 392 N HIS A 210 -4.496 -10.411 1.379 1.00 0.00 N ATOM 393 CA HIS A 210 -4.244 -9.089 1.942 1.00 0.00 C ATOM 394 C HIS A 210 -3.179 -9.156 3.032 1.00 0.00 C ATOM 395 O HIS A 210 -2.240 -8.361 3.044 1.00 0.00 O ATOM 396 CB HIS A 210 -5.535 -8.498 2.509 1.00 0.00 C ATOM 397 CG HIS A 210 -5.306 -7.485 3.589 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.157 -6.138 3.337 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.203 -7.630 4.931 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.970 -5.497 4.477 1.00 0.00 C ATOM 401 NE2 HIS A 210 -4.994 -6.380 5.460 1.00 0.00 N ATOM 0 H HIS A 210 -5.483 -10.633 1.250 1.00 0.00 H new ATOM 0 HA HIS A 210 -3.879 -8.445 1.142 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.098 -8.033 1.700 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.152 -9.305 2.904 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -5.187 -5.704 2.414 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.272 -8.556 5.483 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.823 -4.433 4.587 1.00 0.00 H new ATOM 409 N GLN A 211 -3.333 -10.110 3.945 1.00 0.00 N ATOM 410 CA GLN A 211 -2.384 -10.279 5.039 1.00 0.00 C ATOM 411 C GLN A 211 -0.965 -9.952 4.586 1.00 0.00 C ATOM 412 O GLN A 211 -0.174 -9.391 5.344 1.00 0.00 O ATOM 413 CB GLN A 211 -2.444 -11.710 5.577 1.00 0.00 C ATOM 414 CG GLN A 211 -3.503 -11.914 6.648 1.00 0.00 C ATOM 415 CD GLN A 211 -3.567 -13.346 7.140 1.00 0.00 C ATOM 416 OE1 GLN A 211 -2.957 -13.696 8.151 1.00 0.00 O ATOM 417 NE2 GLN A 211 -4.310 -14.184 6.426 1.00 0.00 N ATOM 0 H GLN A 211 -4.105 -10.777 3.949 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.659 -9.587 5.835 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.640 -12.392 4.750 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.469 -11.977 5.986 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.295 -11.254 7.490 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.476 -11.627 6.250 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.799 -13.851 5.595 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.392 -15.161 6.709 1.00 0.00 H new ATOM 426 N TYR A 212 -0.650 -10.307 3.345 1.00 0.00 N ATOM 427 CA TYR A 212 0.675 -10.054 2.791 1.00 0.00 C ATOM 428 C TYR A 212 0.842 -8.581 2.430 1.00 0.00 C ATOM 429 O TYR A 212 1.864 -7.968 2.736 1.00 0.00 O ATOM 430 CB TYR A 212 0.909 -10.924 1.555 1.00 0.00 C ATOM 431 CG TYR A 212 1.475 -12.289 1.873 1.00 0.00 C ATOM 432 CD1 TYR A 212 0.641 -13.349 2.205 1.00 0.00 C ATOM 433 CD2 TYR A 212 2.846 -12.518 1.841 1.00 0.00 C ATOM 434 CE1 TYR A 212 1.155 -14.598 2.497 1.00 0.00 C ATOM 435 CE2 TYR A 212 3.368 -13.764 2.131 1.00 0.00 C ATOM 436 CZ TYR A 212 2.519 -14.800 2.459 1.00 0.00 C ATOM 437 OH TYR A 212 3.035 -16.043 2.748 1.00 0.00 O ATOM 0 H TYR A 212 -1.294 -10.771 2.704 1.00 0.00 H new ATOM 0 HA TYR A 212 1.414 -10.309 3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.035 -11.046 1.023 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.590 -10.406 0.880 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -0.427 -13.194 2.235 1.00 0.00 H new ATOM 0 HD2 TYR A 212 3.514 -11.709 1.585 1.00 0.00 H new ATOM 0 HE1 TYR A 212 0.493 -15.411 2.754 1.00 0.00 H new ATOM 0 HE2 TYR A 212 4.435 -13.926 2.101 1.00 0.00 H new ATOM 0 HH TYR A 212 4.012 -16.017 2.675 1.00 0.00 H new ATOM 447 N GLN A 213 -0.171 -8.020 1.777 1.00 0.00 N ATOM 448 CA GLN A 213 -0.136 -6.620 1.373 1.00 0.00 C ATOM 449 C GLN A 213 -0.106 -5.702 2.591 1.00 0.00 C ATOM 450 O GLN A 213 0.701 -4.775 2.663 1.00 0.00 O ATOM 451 CB GLN A 213 -1.349 -6.289 0.501 1.00 0.00 C ATOM 452 CG GLN A 213 -1.257 -6.852 -0.908 1.00 0.00 C ATOM 453 CD GLN A 213 -2.413 -6.417 -1.787 1.00 0.00 C ATOM 454 OE1 GLN A 213 -2.264 -5.543 -2.641 1.00 0.00 O ATOM 455 NE2 GLN A 213 -3.575 -7.027 -1.582 1.00 0.00 N ATOM 0 H GLN A 213 -1.025 -8.513 1.517 1.00 0.00 H new ATOM 0 HA GLN A 213 0.774 -6.457 0.796 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.248 -6.677 0.981 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.461 -5.206 0.444 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -0.319 -6.532 -1.363 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -1.232 -7.941 -0.859 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -3.654 -7.746 -0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -4.389 -6.776 -2.144 1.00 0.00 H new ATOM 464 N CYS A 214 -0.991 -5.967 3.547 1.00 0.00 N ATOM 465 CA CYS A 214 -1.066 -5.165 4.762 1.00 0.00 C ATOM 466 C CYS A 214 0.318 -4.676 5.178 1.00 0.00 C ATOM 467 O CYS A 214 1.187 -5.455 5.570 1.00 0.00 O ATOM 468 CB CYS A 214 -1.694 -5.979 5.896 1.00 0.00 C ATOM 469 SG CYS A 214 -2.233 -4.978 7.319 1.00 0.00 S ATOM 0 H CYS A 214 -1.666 -6.731 3.503 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.692 -4.296 4.557 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.552 -6.526 5.504 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.973 -6.721 6.239 1.00 0.00 H new ATOM 474 N PRO A 215 0.528 -3.354 5.092 1.00 0.00 N ATOM 475 CA PRO A 215 1.804 -2.730 5.455 1.00 0.00 C ATOM 476 C PRO A 215 2.063 -2.772 6.958 1.00 0.00 C ATOM 477 O PRO A 215 3.130 -3.197 7.402 1.00 0.00 O ATOM 478 CB PRO A 215 1.640 -1.284 4.981 1.00 0.00 C ATOM 479 CG PRO A 215 0.169 -1.049 4.987 1.00 0.00 C ATOM 480 CD PRO A 215 -0.463 -2.366 4.633 1.00 0.00 C ATOM 0 HA PRO A 215 2.652 -3.246 5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.155 -0.589 5.644 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.059 -1.144 3.985 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.167 -0.706 5.965 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.106 -0.278 4.267 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.423 -2.498 5.132 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.647 -2.449 3.562 1.00 0.00 H new ATOM 488 N ARG A 216 1.080 -2.329 7.735 1.00 0.00 N ATOM 489 CA ARG A 216 1.203 -2.316 9.188 1.00 0.00 C ATOM 490 C ARG A 216 1.944 -3.555 9.682 1.00 0.00 C ATOM 491 O ARG A 216 2.633 -3.513 10.702 1.00 0.00 O ATOM 492 CB ARG A 216 -0.181 -2.244 9.837 1.00 0.00 C ATOM 493 CG ARG A 216 -0.673 -0.824 10.064 1.00 0.00 C ATOM 494 CD ARG A 216 0.123 -0.126 11.155 1.00 0.00 C ATOM 495 NE ARG A 216 -0.461 -0.335 12.478 1.00 0.00 N ATOM 496 CZ ARG A 216 -1.466 0.389 12.960 1.00 0.00 C ATOM 497 NH1 ARG A 216 -1.996 1.362 12.231 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.943 0.138 14.172 1.00 0.00 N ATOM 0 H ARG A 216 0.191 -1.975 7.383 1.00 0.00 H new ATOM 0 HA ARG A 216 1.777 -1.434 9.471 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.897 -2.771 9.206 1.00 0.00 H new ATOM 0 HB3 ARG A 216 -0.153 -2.767 10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.594 -0.258 9.136 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.728 -0.843 10.337 1.00 0.00 H new ATOM 0 HD2 ARG A 216 1.148 -0.496 11.149 1.00 0.00 H new ATOM 0 HD3 ARG A 216 0.168 0.942 10.943 1.00 0.00 H new ATOM 0 HE ARG A 216 -0.077 -1.077 13.063 1.00 0.00 H new ATOM 0 HH11 ARG A 216 -1.632 1.556 11.298 1.00 0.00 H new ATOM 0 HH12 ARG A 216 -2.767 1.916 12.603 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -1.539 -0.611 14.734 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -2.714 0.694 14.542 1.00 0.00 H new ATOM 512 N LEU A 217 1.798 -4.656 8.954 1.00 0.00 N ATOM 513 CA LEU A 217 2.453 -5.907 9.318 1.00 0.00 C ATOM 514 C LEU A 217 3.970 -5.748 9.318 1.00 0.00 C ATOM 515 O LEU A 217 4.562 -5.213 8.380 1.00 0.00 O ATOM 516 CB LEU A 217 2.045 -7.020 8.351 1.00 0.00 C ATOM 517 CG LEU A 217 2.680 -8.389 8.596 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.796 -9.233 9.501 1.00 0.00 C ATOM 519 CD2 LEU A 217 2.933 -9.104 7.277 1.00 0.00 C ATOM 0 H LEU A 217 1.231 -4.708 8.107 1.00 0.00 H new ATOM 0 HA LEU A 217 2.135 -6.175 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 217 0.962 -7.132 8.394 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.293 -6.703 7.338 1.00 0.00 H new ATOM 0 HG LEU A 217 3.638 -8.240 9.094 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.264 -10.204 9.664 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.667 -8.727 10.458 1.00 0.00 H new ATOM 0 HD13 LEU A 217 0.823 -9.374 9.031 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.385 -10.077 7.471 1.00 0.00 H new ATOM 0 HD22 LEU A 217 1.988 -9.242 6.751 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.607 -8.507 6.663 1.00 0.00 H new ATOM 531 N PRO A 218 4.615 -6.225 10.392 1.00 0.00 N ATOM 532 CA PRO A 218 6.072 -6.150 10.538 1.00 0.00 C ATOM 533 C PRO A 218 6.801 -7.073 9.568 1.00 0.00 C ATOM 534 O PRO A 218 6.367 -8.199 9.323 1.00 0.00 O ATOM 535 CB PRO A 218 6.307 -6.598 11.983 1.00 0.00 C ATOM 536 CG PRO A 218 5.133 -7.454 12.309 1.00 0.00 C ATOM 537 CD PRO A 218 3.973 -6.876 11.546 1.00 0.00 C ATOM 0 HA PRO A 218 6.453 -5.152 10.319 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.240 -7.153 12.079 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.373 -5.744 12.657 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.313 -8.489 12.020 1.00 0.00 H new ATOM 0 HG3 PRO A 218 4.935 -7.452 13.381 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.272 -7.650 11.232 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.411 -6.163 12.149 1.00 0.00 H new ATOM 545 N VAL A 219 7.911 -6.591 9.019 1.00 0.00 N ATOM 546 CA VAL A 219 8.701 -7.374 8.076 1.00 0.00 C ATOM 547 C VAL A 219 10.193 -7.202 8.335 1.00 0.00 C ATOM 548 O VAL A 219 10.704 -6.083 8.364 1.00 0.00 O ATOM 549 CB VAL A 219 8.394 -6.977 6.620 1.00 0.00 C ATOM 550 CG1 VAL A 219 6.941 -7.272 6.281 1.00 0.00 C ATOM 551 CG2 VAL A 219 8.715 -5.508 6.390 1.00 0.00 C ATOM 0 H VAL A 219 8.284 -5.661 9.211 1.00 0.00 H new ATOM 0 HA VAL A 219 8.427 -8.419 8.224 1.00 0.00 H new ATOM 0 HB VAL A 219 9.025 -7.572 5.959 1.00 0.00 H new ATOM 0 HG11 VAL A 219 6.743 -6.985 5.248 1.00 0.00 H new ATOM 0 HG12 VAL A 219 6.748 -8.338 6.405 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.290 -6.705 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 219 8.492 -5.244 5.356 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.111 -4.895 7.059 1.00 0.00 H new ATOM 0 HG23 VAL A 219 9.772 -5.331 6.590 1.00 0.00 H new ATOM 561 N ALA A 220 10.888 -8.319 8.521 1.00 0.00 N ATOM 562 CA ALA A 220 12.324 -8.293 8.774 1.00 0.00 C ATOM 563 C ALA A 220 13.062 -7.542 7.671 1.00 0.00 C ATOM 564 O ALA A 220 12.745 -7.684 6.490 1.00 0.00 O ATOM 565 CB ALA A 220 12.863 -9.710 8.903 1.00 0.00 C ATOM 0 H ALA A 220 10.480 -9.254 8.501 1.00 0.00 H new ATOM 0 HA ALA A 220 12.493 -7.765 9.713 1.00 0.00 H new ATOM 0 HB1 ALA A 220 13.936 -9.675 9.092 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.365 -10.215 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.675 -10.256 7.979 1.00 0.00 H new ATOM 571 N CYS A 221 14.048 -6.742 8.064 1.00 0.00 N ATOM 572 CA CYS A 221 14.831 -5.968 7.109 1.00 0.00 C ATOM 573 C CYS A 221 15.522 -6.883 6.102 1.00 0.00 C ATOM 574 O CYS A 221 16.120 -7.899 6.458 1.00 0.00 O ATOM 575 CB CYS A 221 15.873 -5.119 7.842 1.00 0.00 C ATOM 576 SG CYS A 221 16.691 -3.876 6.791 1.00 0.00 S ATOM 0 H CYS A 221 14.323 -6.613 9.038 1.00 0.00 H new ATOM 0 HA CYS A 221 14.151 -5.311 6.568 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.390 -4.612 8.678 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.631 -5.778 8.264 1.00 0.00 H new ATOM 581 N PRO A 222 15.438 -6.516 4.815 1.00 0.00 N ATOM 582 CA PRO A 222 16.049 -7.290 3.730 1.00 0.00 C ATOM 583 C PRO A 222 17.572 -7.217 3.753 1.00 0.00 C ATOM 584 O PRO A 222 18.243 -7.795 2.899 1.00 0.00 O ATOM 585 CB PRO A 222 15.501 -6.622 2.466 1.00 0.00 C ATOM 586 CG PRO A 222 15.178 -5.229 2.884 1.00 0.00 C ATOM 587 CD PRO A 222 14.741 -5.317 4.319 1.00 0.00 C ATOM 0 HA PRO A 222 15.814 -8.352 3.804 1.00 0.00 H new ATOM 0 HB2 PRO A 222 16.236 -6.634 1.661 1.00 0.00 H new ATOM 0 HB3 PRO A 222 14.616 -7.140 2.096 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.047 -4.579 2.780 1.00 0.00 H new ATOM 0 HG3 PRO A 222 14.389 -4.808 2.261 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.024 -4.427 4.881 1.00 0.00 H new ATOM 0 HD3 PRO A 222 13.659 -5.417 4.404 1.00 0.00 H new ATOM 595 N ASN A 223 18.111 -6.504 4.737 1.00 0.00 N ATOM 596 CA ASN A 223 19.556 -6.357 4.871 1.00 0.00 C ATOM 597 C ASN A 223 20.033 -6.877 6.224 1.00 0.00 C ATOM 598 O ASN A 223 21.191 -6.694 6.596 1.00 0.00 O ATOM 599 CB ASN A 223 19.957 -4.890 4.706 1.00 0.00 C ATOM 600 CG ASN A 223 19.877 -4.427 3.264 1.00 0.00 C ATOM 601 OD1 ASN A 223 20.403 -5.078 2.361 1.00 0.00 O ATOM 602 ND2 ASN A 223 19.215 -3.297 3.042 1.00 0.00 N ATOM 0 H ASN A 223 17.569 -6.019 5.453 1.00 0.00 H new ATOM 0 HA ASN A 223 20.031 -6.947 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.307 -4.267 5.321 1.00 0.00 H new ATOM 0 HB3 ASN A 223 20.974 -4.751 5.074 1.00 0.00 H new ATOM 0 HD21 ASN A 223 19.127 -2.936 2.092 1.00 0.00 H new ATOM 0 HD22 ASN A 223 18.795 -2.790 3.821 1.00 0.00 H new ATOM 609 N GLN A 224 19.131 -7.527 6.953 1.00 0.00 N ATOM 610 CA GLN A 224 19.460 -8.073 8.264 1.00 0.00 C ATOM 611 C GLN A 224 20.411 -7.148 9.016 1.00 0.00 C ATOM 612 O GLN A 224 21.353 -7.604 9.665 1.00 0.00 O ATOM 613 CB GLN A 224 20.087 -9.461 8.119 1.00 0.00 C ATOM 614 CG GLN A 224 19.103 -10.530 7.674 1.00 0.00 C ATOM 615 CD GLN A 224 18.902 -10.550 6.172 1.00 0.00 C ATOM 616 OE1 GLN A 224 17.815 -10.255 5.675 1.00 0.00 O ATOM 617 NE2 GLN A 224 19.953 -10.899 5.438 1.00 0.00 N ATOM 0 H GLN A 224 18.168 -7.688 6.658 1.00 0.00 H new ATOM 0 HA GLN A 224 18.536 -8.157 8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 224 20.903 -9.408 7.399 1.00 0.00 H new ATOM 0 HB3 GLN A 224 20.523 -9.755 9.074 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.460 -11.506 8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 224 18.143 -10.361 8.163 1.00 0.00 H new ATOM 0 HE21 GLN A 224 20.836 -11.136 5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 224 19.877 -10.930 4.421 1.00 0.00 H new ATOM 626 N CYS A 225 20.158 -5.847 8.926 1.00 0.00 N ATOM 627 CA CYS A 225 20.991 -4.857 9.597 1.00 0.00 C ATOM 628 C CYS A 225 21.020 -5.101 11.103 1.00 0.00 C ATOM 629 O CYS A 225 22.083 -5.101 11.722 1.00 0.00 O ATOM 630 CB CYS A 225 20.476 -3.446 9.307 1.00 0.00 C ATOM 631 SG CYS A 225 18.791 -3.129 9.921 1.00 0.00 S ATOM 0 H CYS A 225 19.382 -5.453 8.394 1.00 0.00 H new ATOM 0 HA CYS A 225 22.006 -4.952 9.212 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.157 -2.723 9.756 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.497 -3.277 8.230 1.00 0.00 H new ATOM 636 N GLY A 226 19.844 -5.309 11.686 1.00 0.00 N ATOM 637 CA GLY A 226 19.756 -5.552 13.114 1.00 0.00 C ATOM 638 C GLY A 226 18.435 -5.093 13.700 1.00 0.00 C ATOM 639 O GLY A 226 17.910 -5.712 14.625 1.00 0.00 O ATOM 0 H GLY A 226 18.950 -5.314 11.195 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.885 -6.617 13.307 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.573 -5.036 13.618 1.00 0.00 H new ATOM 643 N VAL A 227 17.898 -4.003 13.161 1.00 0.00 N ATOM 644 CA VAL A 227 16.630 -3.461 13.637 1.00 0.00 C ATOM 645 C VAL A 227 15.663 -4.576 14.016 1.00 0.00 C ATOM 646 O VAL A 227 14.910 -4.459 14.982 1.00 0.00 O ATOM 647 CB VAL A 227 15.970 -2.562 12.574 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.652 -3.363 11.321 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.714 -1.911 13.134 1.00 0.00 C ATOM 0 H VAL A 227 18.321 -3.478 12.395 1.00 0.00 H new ATOM 0 HA VAL A 227 16.853 -2.863 14.520 1.00 0.00 H new ATOM 0 HB VAL A 227 16.671 -1.773 12.303 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.186 -2.712 10.581 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.573 -3.778 10.911 1.00 0.00 H new ATOM 0 HG13 VAL A 227 14.969 -4.174 11.572 1.00 0.00 H new ATOM 0 HG21 VAL A 227 14.260 -1.279 12.370 1.00 0.00 H new ATOM 0 HG22 VAL A 227 14.006 -2.684 13.433 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.975 -1.303 14.000 1.00 0.00 H new ATOM 659 N GLY A 228 15.689 -5.661 13.247 1.00 0.00 N ATOM 660 CA GLY A 228 14.809 -6.783 13.518 1.00 0.00 C ATOM 661 C GLY A 228 13.525 -6.721 12.715 1.00 0.00 C ATOM 662 O GLY A 228 13.511 -7.040 11.525 1.00 0.00 O ATOM 0 H GLY A 228 16.303 -5.783 12.442 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.331 -7.713 13.291 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.568 -6.803 14.581 1.00 0.00 H new ATOM 666 N THR A 229 12.441 -6.311 13.366 1.00 0.00 N ATOM 667 CA THR A 229 11.146 -6.211 12.706 1.00 0.00 C ATOM 668 C THR A 229 10.636 -4.774 12.710 1.00 0.00 C ATOM 669 O THR A 229 10.499 -4.156 13.766 1.00 0.00 O ATOM 670 CB THR A 229 10.099 -7.117 13.383 1.00 0.00 C ATOM 671 OG1 THR A 229 10.060 -6.854 14.790 1.00 0.00 O ATOM 672 CG2 THR A 229 10.419 -8.585 13.145 1.00 0.00 C ATOM 0 H THR A 229 12.435 -6.043 14.350 1.00 0.00 H new ATOM 0 HA THR A 229 11.290 -6.540 11.677 1.00 0.00 H new ATOM 0 HB THR A 229 9.125 -6.898 12.946 1.00 0.00 H new ATOM 0 HG1 THR A 229 10.331 -5.927 14.957 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.666 -9.205 13.632 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.419 -8.788 12.074 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.401 -8.815 13.558 1.00 0.00 H new ATOM 680 N VAL A 230 10.357 -4.247 11.522 1.00 0.00 N ATOM 681 CA VAL A 230 9.860 -2.883 11.388 1.00 0.00 C ATOM 682 C VAL A 230 8.652 -2.826 10.460 1.00 0.00 C ATOM 683 O VAL A 230 8.583 -3.554 9.470 1.00 0.00 O ATOM 684 CB VAL A 230 10.952 -1.939 10.851 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.441 -2.408 9.489 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.432 -0.511 10.777 1.00 0.00 C ATOM 0 H VAL A 230 10.467 -4.744 10.638 1.00 0.00 H new ATOM 0 HA VAL A 230 9.564 -2.555 12.384 1.00 0.00 H new ATOM 0 HB VAL A 230 11.796 -1.959 11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.212 -1.729 9.126 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.855 -3.413 9.577 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.607 -2.419 8.787 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.216 0.143 10.396 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.571 -0.472 10.110 1.00 0.00 H new ATOM 0 HG23 VAL A 230 10.136 -0.180 11.772 1.00 0.00 H new ATOM 696 N ALA A 231 7.703 -1.955 10.787 1.00 0.00 N ATOM 697 CA ALA A 231 6.498 -1.801 9.981 1.00 0.00 C ATOM 698 C ALA A 231 6.845 -1.556 8.516 1.00 0.00 C ATOM 699 O ALA A 231 7.759 -0.792 8.205 1.00 0.00 O ATOM 700 CB ALA A 231 5.644 -0.664 10.521 1.00 0.00 C ATOM 0 H ALA A 231 7.745 -1.346 11.604 1.00 0.00 H new ATOM 0 HA ALA A 231 5.929 -2.729 10.042 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.748 -0.560 9.910 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.358 -0.881 11.550 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.213 0.265 10.491 1.00 0.00 H new ATOM 706 N ARG A 232 6.110 -2.208 7.621 1.00 0.00 N ATOM 707 CA ARG A 232 6.342 -2.061 6.189 1.00 0.00 C ATOM 708 C ARG A 232 6.415 -0.588 5.799 1.00 0.00 C ATOM 709 O ARG A 232 7.390 -0.146 5.192 1.00 0.00 O ATOM 710 CB ARG A 232 5.232 -2.755 5.398 1.00 0.00 C ATOM 711 CG ARG A 232 5.361 -2.587 3.893 1.00 0.00 C ATOM 712 CD ARG A 232 6.188 -3.705 3.276 1.00 0.00 C ATOM 713 NE ARG A 232 5.482 -4.983 3.297 1.00 0.00 N ATOM 714 CZ ARG A 232 5.734 -5.975 2.449 1.00 0.00 C ATOM 715 NH1 ARG A 232 6.669 -5.837 1.520 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.049 -7.109 2.531 1.00 0.00 N ATOM 0 H ARG A 232 5.349 -2.843 7.862 1.00 0.00 H new ATOM 0 HA ARG A 232 7.297 -2.530 5.950 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.236 -3.818 5.638 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.268 -2.360 5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 232 4.369 -2.575 3.441 1.00 0.00 H new ATOM 0 HG3 ARG A 232 5.824 -1.626 3.672 1.00 0.00 H new ATOM 0 HD2 ARG A 232 6.438 -3.446 2.247 1.00 0.00 H new ATOM 0 HD3 ARG A 232 7.129 -3.802 3.818 1.00 0.00 H new ATOM 0 HE ARG A 232 4.756 -5.122 4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 232 7.198 -4.967 1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 232 6.860 -6.600 0.871 1.00 0.00 H new ATOM 0 HH21 ARG A 232 4.329 -7.219 3.245 1.00 0.00 H new ATOM 0 HH22 ARG A 232 5.243 -7.870 1.880 1.00 0.00 H new ATOM 730 N GLU A 233 5.378 0.164 6.150 1.00 0.00 N ATOM 731 CA GLU A 233 5.325 1.587 5.834 1.00 0.00 C ATOM 732 C GLU A 233 6.404 2.353 6.593 1.00 0.00 C ATOM 733 O GLU A 233 6.579 3.556 6.399 1.00 0.00 O ATOM 734 CB GLU A 233 3.946 2.157 6.173 1.00 0.00 C ATOM 735 CG GLU A 233 3.709 2.331 7.664 1.00 0.00 C ATOM 736 CD GLU A 233 3.134 1.088 8.313 1.00 0.00 C ATOM 737 OE1 GLU A 233 3.178 0.013 7.678 1.00 0.00 O ATOM 738 OE2 GLU A 233 2.638 1.189 9.455 1.00 0.00 O ATOM 0 H GLU A 233 4.563 -0.187 6.653 1.00 0.00 H new ATOM 0 HA GLU A 233 5.505 1.702 4.765 1.00 0.00 H new ATOM 0 HB2 GLU A 233 3.830 3.122 5.680 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.179 1.497 5.766 1.00 0.00 H new ATOM 0 HG2 GLU A 233 4.650 2.587 8.150 1.00 0.00 H new ATOM 0 HG3 GLU A 233 3.029 3.168 7.825 1.00 0.00 H new ATOM 745 N ASP A 234 7.125 1.648 7.458 1.00 0.00 N ATOM 746 CA ASP A 234 8.188 2.260 8.247 1.00 0.00 C ATOM 747 C ASP A 234 9.559 1.872 7.704 1.00 0.00 C ATOM 748 O ASP A 234 10.573 2.473 8.062 1.00 0.00 O ATOM 749 CB ASP A 234 8.069 1.843 9.713 1.00 0.00 C ATOM 750 CG ASP A 234 7.168 2.767 10.507 1.00 0.00 C ATOM 751 OD1 ASP A 234 7.325 4.000 10.383 1.00 0.00 O ATOM 752 OD2 ASP A 234 6.304 2.258 11.252 1.00 0.00 O ATOM 0 H ASP A 234 6.993 0.651 7.631 1.00 0.00 H new ATOM 0 HA ASP A 234 8.082 3.343 8.176 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.680 0.826 9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 234 9.061 1.830 10.166 1.00 0.00 H new ATOM 757 N LEU A 235 9.584 0.864 6.839 1.00 0.00 N ATOM 758 CA LEU A 235 10.832 0.394 6.247 1.00 0.00 C ATOM 759 C LEU A 235 11.502 1.501 5.439 1.00 0.00 C ATOM 760 O LEU A 235 12.715 1.700 5.499 1.00 0.00 O ATOM 761 CB LEU A 235 10.570 -0.819 5.352 1.00 0.00 C ATOM 762 CG LEU A 235 11.764 -1.743 5.108 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.239 -2.357 6.416 1.00 0.00 C ATOM 764 CD2 LEU A 235 11.401 -2.830 4.107 1.00 0.00 C ATOM 0 H LEU A 235 8.754 0.356 6.532 1.00 0.00 H new ATOM 0 HA LEU A 235 11.502 0.103 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 235 9.766 -1.406 5.796 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.209 -0.463 4.387 1.00 0.00 H new ATOM 0 HG LEU A 235 12.579 -1.151 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.089 -3.011 6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.539 -1.565 7.102 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.430 -2.935 6.862 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.262 -3.478 3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 235 10.571 -3.420 4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.109 -2.372 3.162 1.00 0.00 H new ATOM 776 N PRO A 236 10.694 2.241 4.665 1.00 0.00 N ATOM 777 CA PRO A 236 11.186 3.342 3.832 1.00 0.00 C ATOM 778 C PRO A 236 12.110 4.281 4.599 1.00 0.00 C ATOM 779 O PRO A 236 13.292 4.401 4.282 1.00 0.00 O ATOM 780 CB PRO A 236 9.906 4.072 3.417 1.00 0.00 C ATOM 781 CG PRO A 236 8.840 3.033 3.477 1.00 0.00 C ATOM 782 CD PRO A 236 9.237 2.059 4.544 1.00 0.00 C ATOM 0 HA PRO A 236 11.780 2.983 2.991 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.688 4.902 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 236 9.996 4.489 2.414 1.00 0.00 H new ATOM 0 HG2 PRO A 236 7.875 3.484 3.706 1.00 0.00 H new ATOM 0 HG3 PRO A 236 8.737 2.531 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 236 8.729 2.268 5.485 1.00 0.00 H new ATOM 0 HD3 PRO A 236 8.984 1.036 4.266 1.00 0.00 H new ATOM 790 N GLY A 237 11.562 4.947 5.612 1.00 0.00 N ATOM 791 CA GLY A 237 12.352 5.866 6.409 1.00 0.00 C ATOM 792 C GLY A 237 13.572 5.205 7.019 1.00 0.00 C ATOM 793 O GLY A 237 14.666 5.771 7.006 1.00 0.00 O ATOM 0 H GLY A 237 10.585 4.866 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.669 6.702 5.786 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.731 6.279 7.204 1.00 0.00 H new ATOM 797 N HIS A 238 13.385 4.003 7.556 1.00 0.00 N ATOM 798 CA HIS A 238 14.480 3.264 8.175 1.00 0.00 C ATOM 799 C HIS A 238 15.635 3.083 7.196 1.00 0.00 C ATOM 800 O HIS A 238 16.770 3.471 7.479 1.00 0.00 O ATOM 801 CB HIS A 238 13.990 1.900 8.663 1.00 0.00 C ATOM 802 CG HIS A 238 15.083 0.885 8.797 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.874 0.773 9.920 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.513 -0.071 7.940 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.745 -0.205 9.748 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.547 -0.734 8.554 1.00 0.00 N ATOM 0 H HIS A 238 12.486 3.521 7.575 1.00 0.00 H new ATOM 0 HA HIS A 238 14.838 3.840 9.028 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.499 2.023 9.628 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.238 1.523 7.969 1.00 0.00 H new ATOM 0 HD1 HIS A 238 15.799 1.355 10.754 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.116 -0.274 6.956 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.492 -0.519 10.462 1.00 0.00 H new ATOM 814 N LEU A 239 15.340 2.491 6.044 1.00 0.00 N ATOM 815 CA LEU A 239 16.355 2.257 5.022 1.00 0.00 C ATOM 816 C LEU A 239 17.035 3.562 4.621 1.00 0.00 C ATOM 817 O LEU A 239 18.085 3.556 3.978 1.00 0.00 O ATOM 818 CB LEU A 239 15.726 1.598 3.793 1.00 0.00 C ATOM 819 CG LEU A 239 15.362 0.120 3.936 1.00 0.00 C ATOM 820 CD1 LEU A 239 14.241 -0.249 2.976 1.00 0.00 C ATOM 821 CD2 LEU A 239 16.583 -0.756 3.696 1.00 0.00 C ATOM 0 H LEU A 239 14.407 2.164 5.794 1.00 0.00 H new ATOM 0 HA LEU A 239 17.109 1.589 5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 239 14.823 2.150 3.532 1.00 0.00 H new ATOM 0 HB3 LEU A 239 16.417 1.702 2.956 1.00 0.00 H new ATOM 0 HG LEU A 239 15.012 -0.051 4.954 1.00 0.00 H new ATOM 0 HD11 LEU A 239 13.995 -1.305 3.092 1.00 0.00 H new ATOM 0 HD12 LEU A 239 13.360 0.355 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 239 14.563 -0.062 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.305 -1.805 3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 239 16.964 -0.581 2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.356 -0.510 4.424 1.00 0.00 H new ATOM 833 N LYS A 240 16.431 4.681 5.007 1.00 0.00 N ATOM 834 CA LYS A 240 16.978 5.995 4.692 1.00 0.00 C ATOM 835 C LYS A 240 18.319 6.207 5.388 1.00 0.00 C ATOM 836 O LYS A 240 19.358 6.312 4.736 1.00 0.00 O ATOM 837 CB LYS A 240 15.997 7.093 5.108 1.00 0.00 C ATOM 838 CG LYS A 240 16.193 8.400 4.360 1.00 0.00 C ATOM 839 CD LYS A 240 17.307 9.232 4.973 1.00 0.00 C ATOM 840 CE LYS A 240 16.868 9.874 6.280 1.00 0.00 C ATOM 841 NZ LYS A 240 16.085 11.120 6.050 1.00 0.00 N ATOM 0 H LYS A 240 15.561 4.704 5.539 1.00 0.00 H new ATOM 0 HA LYS A 240 17.135 6.046 3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 240 14.979 6.740 4.944 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.103 7.277 6.177 1.00 0.00 H new ATOM 0 HG2 LYS A 240 16.426 8.191 3.316 1.00 0.00 H new ATOM 0 HG3 LYS A 240 15.264 8.970 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 240 18.178 8.601 5.151 1.00 0.00 H new ATOM 0 HD3 LYS A 240 17.613 10.007 4.270 1.00 0.00 H new ATOM 0 HE2 LYS A 240 16.265 9.166 6.848 1.00 0.00 H new ATOM 0 HE3 LYS A 240 17.745 10.103 6.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 15.804 11.527 6.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 16.669 11.806 5.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 15.234 10.898 5.494 1.00 0.00 H new ATOM 855 N ASP A 241 18.289 6.266 6.715 1.00 0.00 N ATOM 856 CA ASP A 241 19.502 6.462 7.499 1.00 0.00 C ATOM 857 C ASP A 241 19.717 5.303 8.467 1.00 0.00 C ATOM 858 O ASP A 241 20.793 4.705 8.506 1.00 0.00 O ATOM 859 CB ASP A 241 19.428 7.780 8.272 1.00 0.00 C ATOM 860 CG ASP A 241 20.770 8.191 8.846 1.00 0.00 C ATOM 861 OD1 ASP A 241 21.806 7.776 8.287 1.00 0.00 O ATOM 862 OD2 ASP A 241 20.783 8.927 9.855 1.00 0.00 O ATOM 0 H ASP A 241 17.437 6.181 7.270 1.00 0.00 H new ATOM 0 HA ASP A 241 20.347 6.499 6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 241 19.063 8.566 7.611 1.00 0.00 H new ATOM 0 HB3 ASP A 241 18.704 7.683 9.081 1.00 0.00 H new ATOM 867 N SER A 242 18.687 4.990 9.246 1.00 0.00 N ATOM 868 CA SER A 242 18.765 3.906 10.218 1.00 0.00 C ATOM 869 C SER A 242 19.619 2.759 9.685 1.00 0.00 C ATOM 870 O SER A 242 20.687 2.464 10.222 1.00 0.00 O ATOM 871 CB SER A 242 17.363 3.396 10.558 1.00 0.00 C ATOM 872 OG SER A 242 16.778 4.166 11.594 1.00 0.00 O ATOM 0 H SER A 242 17.788 5.472 9.223 1.00 0.00 H new ATOM 0 HA SER A 242 19.232 4.295 11.123 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.732 3.437 9.670 1.00 0.00 H new ATOM 0 HB3 SER A 242 17.417 2.351 10.863 1.00 0.00 H new ATOM 0 HG SER A 242 15.882 3.821 11.792 1.00 0.00 H new ATOM 878 N CYS A 243 19.141 2.117 8.625 1.00 0.00 N ATOM 879 CA CYS A 243 19.859 1.003 8.018 1.00 0.00 C ATOM 880 C CYS A 243 21.220 1.453 7.493 1.00 0.00 C ATOM 881 O CYS A 243 21.559 2.634 7.552 1.00 0.00 O ATOM 882 CB CYS A 243 19.036 0.399 6.878 1.00 0.00 C ATOM 883 SG CYS A 243 19.368 -1.367 6.576 1.00 0.00 S ATOM 0 H CYS A 243 18.259 2.349 8.168 1.00 0.00 H new ATOM 0 HA CYS A 243 20.017 0.245 8.785 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.977 0.525 7.102 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.237 0.957 5.964 1.00 0.00 H new ATOM 888 N ASN A 244 21.994 0.502 6.981 1.00 0.00 N ATOM 889 CA ASN A 244 23.318 0.801 6.446 1.00 0.00 C ATOM 890 C ASN A 244 23.811 -0.331 5.550 1.00 0.00 C ATOM 891 O ASN A 244 23.376 -1.476 5.681 1.00 0.00 O ATOM 892 CB ASN A 244 24.311 1.032 7.587 1.00 0.00 C ATOM 893 CG ASN A 244 25.481 1.901 7.168 1.00 0.00 C ATOM 894 OD1 ASN A 244 25.445 2.547 6.121 1.00 0.00 O ATOM 895 ND2 ASN A 244 26.527 1.920 7.986 1.00 0.00 N ATOM 0 H ASN A 244 21.728 -0.481 6.925 1.00 0.00 H new ATOM 0 HA ASN A 244 23.244 1.709 5.847 1.00 0.00 H new ATOM 0 HB2 ASN A 244 23.795 1.501 8.425 1.00 0.00 H new ATOM 0 HB3 ASN A 244 24.684 0.071 7.941 1.00 0.00 H new ATOM 0 HD21 ASN A 244 27.344 2.486 7.756 1.00 0.00 H new ATOM 0 HD22 ASN A 244 26.514 1.369 8.844 1.00 0.00 H new ATOM 902 N THR A 245 24.721 -0.004 4.638 1.00 0.00 N ATOM 903 CA THR A 245 25.273 -0.992 3.720 1.00 0.00 C ATOM 904 C THR A 245 26.568 -1.584 4.263 1.00 0.00 C ATOM 905 O THR A 245 27.301 -0.927 5.000 1.00 0.00 O ATOM 906 CB THR A 245 25.544 -0.379 2.332 1.00 0.00 C ATOM 907 OG1 THR A 245 24.322 0.105 1.764 1.00 0.00 O ATOM 908 CG2 THR A 245 26.172 -1.405 1.401 1.00 0.00 C ATOM 0 H THR A 245 25.091 0.938 4.516 1.00 0.00 H new ATOM 0 HA THR A 245 24.529 -1.782 3.621 1.00 0.00 H new ATOM 0 HB THR A 245 26.240 0.451 2.454 1.00 0.00 H new ATOM 0 HG1 THR A 245 24.502 0.495 0.883 1.00 0.00 H new ATOM 0 HG21 THR A 245 26.354 -0.950 0.428 1.00 0.00 H new ATOM 0 HG22 THR A 245 27.116 -1.749 1.823 1.00 0.00 H new ATOM 0 HG23 THR A 245 25.496 -2.252 1.284 1.00 0.00 H new ATOM 916 N ALA A 246 26.844 -2.831 3.893 1.00 0.00 N ATOM 917 CA ALA A 246 28.052 -3.511 4.341 1.00 0.00 C ATOM 918 C ALA A 246 28.269 -3.316 5.838 1.00 0.00 C ATOM 919 O ALA A 246 29.387 -3.054 6.285 1.00 0.00 O ATOM 920 CB ALA A 246 29.259 -3.011 3.561 1.00 0.00 C ATOM 0 H ALA A 246 26.247 -3.390 3.284 1.00 0.00 H new ATOM 0 HA ALA A 246 27.929 -4.578 4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 246 30.155 -3.528 3.906 1.00 0.00 H new ATOM 0 HB2 ALA A 246 29.113 -3.208 2.499 1.00 0.00 H new ATOM 0 HB3 ALA A 246 29.375 -1.939 3.718 1.00 0.00 H new ATOM 926 N LEU A 247 27.195 -3.444 6.608 1.00 0.00 N ATOM 927 CA LEU A 247 27.267 -3.281 8.056 1.00 0.00 C ATOM 928 C LEU A 247 27.418 -4.632 8.749 1.00 0.00 C ATOM 929 O LEU A 247 26.686 -5.577 8.456 1.00 0.00 O ATOM 930 CB LEU A 247 26.016 -2.568 8.572 1.00 0.00 C ATOM 931 CG LEU A 247 25.962 -2.315 10.079 1.00 0.00 C ATOM 932 CD1 LEU A 247 24.979 -1.199 10.397 1.00 0.00 C ATOM 933 CD2 LEU A 247 25.583 -3.589 10.820 1.00 0.00 C ATOM 0 H LEU A 247 26.263 -3.660 6.254 1.00 0.00 H new ATOM 0 HA LEU A 247 28.144 -2.675 8.285 1.00 0.00 H new ATOM 0 HB2 LEU A 247 25.931 -1.610 8.060 1.00 0.00 H new ATOM 0 HB3 LEU A 247 25.144 -3.158 8.291 1.00 0.00 H new ATOM 0 HG LEU A 247 26.952 -2.005 10.412 1.00 0.00 H new ATOM 0 HD11 LEU A 247 24.953 -1.033 11.474 1.00 0.00 H new ATOM 0 HD12 LEU A 247 25.293 -0.284 9.896 1.00 0.00 H new ATOM 0 HD13 LEU A 247 23.985 -1.480 10.050 1.00 0.00 H new ATOM 0 HD21 LEU A 247 25.549 -3.391 11.891 1.00 0.00 H new ATOM 0 HD22 LEU A 247 24.604 -3.928 10.483 1.00 0.00 H new ATOM 0 HD23 LEU A 247 26.324 -4.362 10.617 1.00 0.00 H new ATOM 945 N VAL A 248 28.372 -4.715 9.670 1.00 0.00 N ATOM 946 CA VAL A 248 28.618 -5.948 10.408 1.00 0.00 C ATOM 947 C VAL A 248 27.386 -6.367 11.204 1.00 0.00 C ATOM 948 O VAL A 248 26.757 -7.381 10.905 1.00 0.00 O ATOM 949 CB VAL A 248 29.811 -5.799 11.370 1.00 0.00 C ATOM 950 CG1 VAL A 248 30.018 -7.078 12.167 1.00 0.00 C ATOM 951 CG2 VAL A 248 31.071 -5.430 10.602 1.00 0.00 C ATOM 0 H VAL A 248 28.988 -3.942 9.923 1.00 0.00 H new ATOM 0 HA VAL A 248 28.850 -6.717 9.671 1.00 0.00 H new ATOM 0 HB VAL A 248 29.591 -4.994 12.071 1.00 0.00 H new ATOM 0 HG11 VAL A 248 30.865 -6.953 12.841 1.00 0.00 H new ATOM 0 HG12 VAL A 248 29.121 -7.294 12.747 1.00 0.00 H new ATOM 0 HG13 VAL A 248 30.216 -7.904 11.484 1.00 0.00 H new ATOM 0 HG21 VAL A 248 31.904 -5.329 11.297 1.00 0.00 H new ATOM 0 HG22 VAL A 248 31.297 -6.211 9.876 1.00 0.00 H new ATOM 0 HG23 VAL A 248 30.916 -4.485 10.081 1.00 0.00 H new TER 961 VAL A 248 HETATM 962 ZN ZN A 300 -4.464 -5.284 7.102 1.00 0.00 ZN HETATM 963 ZN ZN A 400 17.739 -2.285 8.001 1.00 0.00 ZN