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+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 THR OG1 : rot 41:sc= 0.0227 USER MOD Single : A 193 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.13) 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 -4:sc= 0.419 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -37:sc= -0.805 USER MOD Single : A 208 GLN : amide:sc= 0.896 K(o=0.9,f=-0.11) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 223 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 224 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 USER MOD Single : A 240 LYS NZ :NH3+ -160:sc= -0.025 (180deg=-0.228) USER MOD Single : A 242 SER OG : rot 180:sc= 0 USER MOD Single : A 244 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 245 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 183 -29.903 -18.664 7.301 1.00 0.00 N ATOM 2 CA GLY A 183 -28.479 -18.612 7.573 1.00 0.00 C ATOM 3 C GLY A 183 -28.082 -17.373 8.351 1.00 0.00 C ATOM 4 O GLY A 183 -28.842 -16.888 9.189 1.00 0.00 O ATOM 0 HA2 GLY A 183 -28.187 -19.499 8.135 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -27.931 -18.637 6.631 1.00 0.00 H new ATOM 8 N SER A 184 -26.887 -16.860 8.075 1.00 0.00 N ATOM 9 CA SER A 184 -26.389 -15.673 8.759 1.00 0.00 C ATOM 10 C SER A 184 -25.987 -14.596 7.756 1.00 0.00 C ATOM 11 O SER A 184 -25.474 -14.896 6.678 1.00 0.00 O ATOM 12 CB SER A 184 -25.194 -16.033 9.644 1.00 0.00 C ATOM 13 OG SER A 184 -24.540 -14.868 10.117 1.00 0.00 O ATOM 0 H SER A 184 -26.246 -17.248 7.383 1.00 0.00 H new ATOM 0 HA SER A 184 -27.191 -15.281 9.384 1.00 0.00 H new ATOM 0 HB2 SER A 184 -25.531 -16.633 10.489 1.00 0.00 H new ATOM 0 HB3 SER A 184 -24.491 -16.645 9.079 1.00 0.00 H new ATOM 0 HG SER A 184 -23.781 -15.125 10.681 1.00 0.00 H new ATOM 19 N SER A 185 -26.223 -13.339 8.120 1.00 0.00 N ATOM 20 CA SER A 185 -25.890 -12.216 7.251 1.00 0.00 C ATOM 21 C SER A 185 -25.541 -10.979 8.072 1.00 0.00 C ATOM 22 O SER A 185 -25.723 -10.956 9.289 1.00 0.00 O ATOM 23 CB SER A 185 -27.058 -11.907 6.312 1.00 0.00 C ATOM 24 OG SER A 185 -28.263 -11.733 7.038 1.00 0.00 O ATOM 0 H SER A 185 -26.643 -13.073 9.010 1.00 0.00 H new ATOM 0 HA SER A 185 -25.019 -12.493 6.657 1.00 0.00 H new ATOM 0 HB2 SER A 185 -26.840 -11.005 5.740 1.00 0.00 H new ATOM 0 HB3 SER A 185 -27.176 -12.719 5.594 1.00 0.00 H new ATOM 0 HG SER A 185 -28.994 -11.535 6.416 1.00 0.00 H new ATOM 30 N GLY A 186 -25.037 -9.951 7.396 1.00 0.00 N ATOM 31 CA GLY A 186 -24.669 -8.724 8.078 1.00 0.00 C ATOM 32 C GLY A 186 -24.488 -7.561 7.123 1.00 0.00 C ATOM 33 O GLY A 186 -25.462 -6.939 6.700 1.00 0.00 O ATOM 0 H GLY A 186 -24.877 -9.946 6.389 1.00 0.00 H new ATOM 0 HA2 GLY A 186 -25.438 -8.474 8.809 1.00 0.00 H new ATOM 0 HA3 GLY A 186 -23.743 -8.883 8.631 1.00 0.00 H new ATOM 37 N SER A 187 -23.237 -7.266 6.782 1.00 0.00 N ATOM 38 CA SER A 187 -22.931 -6.167 5.875 1.00 0.00 C ATOM 39 C SER A 187 -23.069 -6.608 4.421 1.00 0.00 C ATOM 40 O SER A 187 -22.208 -7.309 3.889 1.00 0.00 O ATOM 41 CB SER A 187 -21.515 -5.646 6.130 1.00 0.00 C ATOM 42 OG SER A 187 -21.429 -4.996 7.386 1.00 0.00 O ATOM 0 H SER A 187 -22.419 -7.773 7.121 1.00 0.00 H new ATOM 0 HA SER A 187 -23.645 -5.365 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 187 -20.808 -6.475 6.097 1.00 0.00 H new ATOM 0 HB3 SER A 187 -21.231 -4.953 5.338 1.00 0.00 H new ATOM 0 HG SER A 187 -20.514 -4.674 7.526 1.00 0.00 H new ATOM 48 N SER A 188 -24.159 -6.193 3.784 1.00 0.00 N ATOM 49 CA SER A 188 -24.413 -6.547 2.392 1.00 0.00 C ATOM 50 C SER A 188 -24.143 -8.030 2.152 1.00 0.00 C ATOM 51 O SER A 188 -23.607 -8.414 1.114 1.00 0.00 O ATOM 52 CB SER A 188 -23.542 -5.702 1.461 1.00 0.00 C ATOM 53 OG SER A 188 -24.101 -4.414 1.270 1.00 0.00 O ATOM 0 H SER A 188 -24.881 -5.611 4.209 1.00 0.00 H new ATOM 0 HA SER A 188 -25.463 -6.346 2.177 1.00 0.00 H new ATOM 0 HB2 SER A 188 -22.540 -5.609 1.880 1.00 0.00 H new ATOM 0 HB3 SER A 188 -23.439 -6.204 0.499 1.00 0.00 H new ATOM 0 HG SER A 188 -23.525 -3.893 0.673 1.00 0.00 H new ATOM 59 N GLY A 189 -24.520 -8.858 3.121 1.00 0.00 N ATOM 60 CA GLY A 189 -24.312 -10.289 2.997 1.00 0.00 C ATOM 61 C GLY A 189 -22.853 -10.676 3.134 1.00 0.00 C ATOM 62 O GLY A 189 -22.412 -11.099 4.203 1.00 0.00 O ATOM 0 H GLY A 189 -24.966 -8.564 3.990 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -24.895 -10.805 3.760 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -24.685 -10.625 2.029 1.00 0.00 H new ATOM 66 N LYS A 190 -22.100 -10.533 2.048 1.00 0.00 N ATOM 67 CA LYS A 190 -20.681 -10.871 2.050 1.00 0.00 C ATOM 68 C LYS A 190 -20.034 -10.493 3.378 1.00 0.00 C ATOM 69 O LYS A 190 -20.070 -9.332 3.789 1.00 0.00 O ATOM 70 CB LYS A 190 -19.965 -10.160 0.900 1.00 0.00 C ATOM 71 CG LYS A 190 -20.230 -10.783 -0.459 1.00 0.00 C ATOM 72 CD LYS A 190 -19.546 -10.006 -1.572 1.00 0.00 C ATOM 73 CE LYS A 190 -19.182 -10.909 -2.740 1.00 0.00 C ATOM 74 NZ LYS A 190 -20.279 -10.988 -3.744 1.00 0.00 N ATOM 0 H LYS A 190 -22.449 -10.185 1.155 1.00 0.00 H new ATOM 0 HA LYS A 190 -20.589 -11.949 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 190 -20.277 -9.116 0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 190 -18.892 -10.168 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 190 -19.876 -11.814 -0.463 1.00 0.00 H new ATOM 0 HG3 LYS A 190 -21.304 -10.814 -0.643 1.00 0.00 H new ATOM 0 HD2 LYS A 190 -20.204 -9.209 -1.918 1.00 0.00 H new ATOM 0 HD3 LYS A 190 -18.645 -9.530 -1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 190 -18.277 -10.535 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 190 -18.957 -11.909 -2.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 -19.991 -11.613 -4.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 -21.135 -11.369 -3.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 -20.477 -10.038 -4.117 1.00 0.00 H new ATOM 88 N ARG A 191 -19.441 -11.478 4.045 1.00 0.00 N ATOM 89 CA ARG A 191 -18.785 -11.247 5.326 1.00 0.00 C ATOM 90 C ARG A 191 -17.619 -10.276 5.173 1.00 0.00 C ATOM 91 O ARG A 191 -17.071 -10.112 4.081 1.00 0.00 O ATOM 92 CB ARG A 191 -18.288 -12.569 5.914 1.00 0.00 C ATOM 93 CG ARG A 191 -19.329 -13.291 6.755 1.00 0.00 C ATOM 94 CD ARG A 191 -18.793 -14.608 7.295 1.00 0.00 C ATOM 95 NE ARG A 191 -18.102 -14.436 8.571 1.00 0.00 N ATOM 96 CZ ARG A 191 -18.730 -14.266 9.729 1.00 0.00 C ATOM 97 NH1 ARG A 191 -20.055 -14.247 9.772 1.00 0.00 N ATOM 98 NH2 ARG A 191 -18.033 -14.117 10.848 1.00 0.00 N ATOM 0 H ARG A 191 -19.402 -12.444 3.719 1.00 0.00 H new ATOM 0 HA ARG A 191 -19.515 -10.806 6.005 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -17.973 -13.223 5.101 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -17.408 -12.376 6.527 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -19.634 -12.653 7.585 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -20.218 -13.478 6.153 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -19.617 -15.310 7.421 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -18.109 -15.046 6.568 1.00 0.00 H new ATOM 0 HE ARG A 191 -17.082 -14.447 8.573 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -20.595 -14.363 8.914 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -20.535 -14.116 10.663 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -17.014 -14.133 10.820 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -18.517 -13.987 11.737 1.00 0.00 H new ATOM 112 N THR A 192 -17.242 -9.632 6.273 1.00 0.00 N ATOM 113 CA THR A 192 -16.142 -8.676 6.261 1.00 0.00 C ATOM 114 C THR A 192 -15.308 -8.781 7.533 1.00 0.00 C ATOM 115 O THR A 192 -15.831 -8.656 8.640 1.00 0.00 O ATOM 116 CB THR A 192 -16.655 -7.231 6.115 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.794 -7.028 6.959 1.00 0.00 O ATOM 118 CG2 THR A 192 -17.028 -6.933 4.671 1.00 0.00 C ATOM 0 H THR A 192 -17.683 -9.755 7.184 1.00 0.00 H new ATOM 0 HA THR A 192 -15.520 -8.921 5.400 1.00 0.00 H new ATOM 0 HB THR A 192 -15.856 -6.553 6.415 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.646 -7.471 7.820 1.00 0.00 H new ATOM 0 HG21 THR A 192 -17.388 -5.907 4.592 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.152 -7.060 4.035 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.812 -7.618 4.349 1.00 0.00 H new ATOM 126 N GLN A 193 -14.010 -9.011 7.367 1.00 0.00 N ATOM 127 CA GLN A 193 -13.104 -9.132 8.503 1.00 0.00 C ATOM 128 C GLN A 193 -12.204 -7.907 8.615 1.00 0.00 C ATOM 129 O GLN A 193 -11.259 -7.728 7.846 1.00 0.00 O ATOM 130 CB GLN A 193 -12.252 -10.396 8.371 1.00 0.00 C ATOM 131 CG GLN A 193 -13.052 -11.683 8.483 1.00 0.00 C ATOM 132 CD GLN A 193 -13.703 -11.849 9.842 1.00 0.00 C ATOM 133 OE1 GLN A 193 -14.920 -11.718 9.980 1.00 0.00 O ATOM 134 NE2 GLN A 193 -12.895 -12.140 10.855 1.00 0.00 N ATOM 0 H GLN A 193 -13.562 -9.117 6.457 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.706 -9.201 9.409 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.739 -10.379 7.409 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.483 -10.388 9.143 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.822 -11.696 7.712 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -12.396 -12.532 8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -11.892 -12.239 10.695 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -13.277 -12.264 11.793 1.00 0.00 H new ATOM 143 N PRO A 194 -12.501 -7.040 9.595 1.00 0.00 N ATOM 144 CA PRO A 194 -11.730 -5.816 9.831 1.00 0.00 C ATOM 145 C PRO A 194 -10.336 -6.105 10.376 1.00 0.00 C ATOM 146 O PRO A 194 -10.171 -6.408 11.558 1.00 0.00 O ATOM 147 CB PRO A 194 -12.566 -5.065 10.870 1.00 0.00 C ATOM 148 CG PRO A 194 -13.336 -6.127 11.576 1.00 0.00 C ATOM 149 CD PRO A 194 -13.613 -7.189 10.549 1.00 0.00 C ATOM 0 HA PRO A 194 -11.564 -5.255 8.911 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.932 -4.509 11.561 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -13.231 -4.343 10.396 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.766 -6.532 12.412 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -14.264 -5.729 11.986 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.630 -8.184 10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.579 -7.039 10.067 1.00 0.00 H new ATOM 157 N CYS A 195 -9.334 -6.011 9.508 1.00 0.00 N ATOM 158 CA CYS A 195 -7.953 -6.262 9.902 1.00 0.00 C ATOM 159 C CYS A 195 -7.575 -5.426 11.121 1.00 0.00 C ATOM 160 O CYS A 195 -8.038 -4.296 11.282 1.00 0.00 O ATOM 161 CB CYS A 195 -7.005 -5.951 8.742 1.00 0.00 C ATOM 162 SG CYS A 195 -5.250 -6.268 9.111 1.00 0.00 S ATOM 0 H CYS A 195 -9.453 -5.762 8.526 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.862 -7.316 10.164 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.297 -6.548 7.878 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -7.123 -4.904 8.461 1.00 0.00 H new ATOM 167 N THR A 196 -6.729 -5.989 11.979 1.00 0.00 N ATOM 168 CA THR A 196 -6.289 -5.298 13.184 1.00 0.00 C ATOM 169 C THR A 196 -5.026 -4.486 12.921 1.00 0.00 C ATOM 170 O THR A 196 -4.765 -3.490 13.596 1.00 0.00 O ATOM 171 CB THR A 196 -6.019 -6.288 14.333 1.00 0.00 C ATOM 172 OG1 THR A 196 -7.243 -6.911 14.740 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.386 -5.579 15.520 1.00 0.00 C ATOM 0 H THR A 196 -6.335 -6.922 11.861 1.00 0.00 H new ATOM 0 HA THR A 196 -7.096 -4.626 13.476 1.00 0.00 H new ATOM 0 HB THR A 196 -5.326 -7.049 13.973 1.00 0.00 H new ATOM 0 HG1 THR A 196 -7.063 -7.540 15.469 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.205 -6.298 16.319 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.441 -5.130 15.214 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.058 -4.800 15.879 1.00 0.00 H new ATOM 181 N TYR A 197 -4.246 -4.916 11.936 1.00 0.00 N ATOM 182 CA TYR A 197 -3.008 -4.229 11.585 1.00 0.00 C ATOM 183 C TYR A 197 -3.299 -2.873 10.950 1.00 0.00 C ATOM 184 O TYR A 197 -3.102 -1.828 11.571 1.00 0.00 O ATOM 185 CB TYR A 197 -2.179 -5.086 10.627 1.00 0.00 C ATOM 186 CG TYR A 197 -1.357 -6.148 11.321 1.00 0.00 C ATOM 187 CD1 TYR A 197 -1.877 -6.870 12.388 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.059 -6.428 10.911 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.129 -7.840 13.026 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.695 -7.398 11.542 1.00 0.00 C ATOM 191 CZ TYR A 197 0.156 -8.101 12.599 1.00 0.00 C ATOM 192 OH TYR A 197 0.905 -9.067 13.231 1.00 0.00 O ATOM 0 H TYR A 197 -4.449 -5.737 11.366 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.440 -4.067 12.501 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.847 -5.565 9.911 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.513 -4.438 10.057 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -2.883 -6.669 12.724 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.367 -5.878 10.085 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -1.548 -8.391 13.855 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.701 -7.605 11.209 1.00 0.00 H new ATOM 0 HH TYR A 197 1.787 -9.127 12.807 1.00 0.00 H new ATOM 202 N CYS A 198 -3.771 -2.897 9.708 1.00 0.00 N ATOM 203 CA CYS A 198 -4.090 -1.671 8.987 1.00 0.00 C ATOM 204 C CYS A 198 -5.411 -1.082 9.474 1.00 0.00 C ATOM 205 O CYS A 198 -5.820 -0.004 9.042 1.00 0.00 O ATOM 206 CB CYS A 198 -4.165 -1.944 7.483 1.00 0.00 C ATOM 207 SG CYS A 198 -5.381 -3.218 7.018 1.00 0.00 S ATOM 0 H CYS A 198 -3.941 -3.753 9.180 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.297 -0.949 9.180 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.412 -1.016 6.968 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.180 -2.251 7.131 1.00 0.00 H new ATOM 212 N THR A 199 -6.075 -1.797 10.377 1.00 0.00 N ATOM 213 CA THR A 199 -7.349 -1.347 10.922 1.00 0.00 C ATOM 214 C THR A 199 -8.346 -1.042 9.810 1.00 0.00 C ATOM 215 O THR A 199 -9.201 -0.168 9.951 1.00 0.00 O ATOM 216 CB THR A 199 -7.173 -0.091 11.797 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.898 1.047 10.972 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.043 -0.282 12.798 1.00 0.00 C ATOM 0 H THR A 199 -5.751 -2.691 10.746 1.00 0.00 H new ATOM 0 HA THR A 199 -7.734 -2.160 11.538 1.00 0.00 H new ATOM 0 HB THR A 199 -8.100 0.074 12.346 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.823 0.763 10.037 1.00 0.00 H new ATOM 0 HG21 THR A 199 -5.938 0.618 13.404 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.269 -1.130 13.444 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.112 -0.470 12.264 1.00 0.00 H new ATOM 226 N LYS A 200 -8.232 -1.769 8.704 1.00 0.00 N ATOM 227 CA LYS A 200 -9.125 -1.578 7.567 1.00 0.00 C ATOM 228 C LYS A 200 -10.210 -2.650 7.542 1.00 0.00 C ATOM 229 O LYS A 200 -10.289 -3.486 8.442 1.00 0.00 O ATOM 230 CB LYS A 200 -8.332 -1.610 6.259 1.00 0.00 C ATOM 231 CG LYS A 200 -7.370 -0.445 6.102 1.00 0.00 C ATOM 232 CD LYS A 200 -8.031 0.734 5.409 1.00 0.00 C ATOM 233 CE LYS A 200 -8.200 0.482 3.919 1.00 0.00 C ATOM 234 NZ LYS A 200 -9.391 1.188 3.368 1.00 0.00 N ATOM 0 H LYS A 200 -7.530 -2.496 8.571 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.603 -0.604 7.671 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.771 -2.543 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.029 -1.610 5.421 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -7.008 -0.136 7.083 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.500 -0.765 5.528 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -9.005 0.923 5.860 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -7.430 1.631 5.562 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -7.306 0.813 3.391 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -8.298 -0.589 3.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -9.471 0.991 2.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -10.248 0.854 3.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -9.286 2.212 3.515 1.00 0.00 H new ATOM 248 N GLU A 201 -11.043 -2.618 6.507 1.00 0.00 N ATOM 249 CA GLU A 201 -12.123 -3.588 6.366 1.00 0.00 C ATOM 250 C GLU A 201 -12.032 -4.313 5.026 1.00 0.00 C ATOM 251 O GLU A 201 -12.055 -3.688 3.966 1.00 0.00 O ATOM 252 CB GLU A 201 -13.481 -2.894 6.491 1.00 0.00 C ATOM 253 CG GLU A 201 -13.659 -2.137 7.797 1.00 0.00 C ATOM 254 CD GLU A 201 -15.068 -1.605 7.975 1.00 0.00 C ATOM 255 OE1 GLU A 201 -16.007 -2.424 8.051 1.00 0.00 O ATOM 256 OE2 GLU A 201 -15.231 -0.368 8.038 1.00 0.00 O ATOM 0 H GLU A 201 -10.991 -1.932 5.754 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.023 -4.323 7.165 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.603 -2.200 5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.271 -3.640 6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.415 -2.796 8.631 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -12.954 -1.306 7.830 1.00 0.00 H new ATOM 263 N PHE A 202 -11.928 -5.637 5.083 1.00 0.00 N ATOM 264 CA PHE A 202 -11.832 -6.448 3.875 1.00 0.00 C ATOM 265 C PHE A 202 -12.728 -7.680 3.974 1.00 0.00 C ATOM 266 O PHE A 202 -13.006 -8.173 5.068 1.00 0.00 O ATOM 267 CB PHE A 202 -10.383 -6.876 3.637 1.00 0.00 C ATOM 268 CG PHE A 202 -9.431 -5.722 3.507 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.487 -4.881 2.407 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.480 -5.477 4.484 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.611 -3.819 2.284 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.602 -4.416 4.368 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.669 -3.585 3.267 1.00 0.00 C ATOM 0 H PHE A 202 -11.908 -6.170 5.952 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.168 -5.842 3.033 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.060 -7.512 4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.335 -7.480 2.731 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.224 -5.057 1.637 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.424 -6.123 5.347 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.663 -3.173 1.420 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -6.865 -4.237 5.137 1.00 0.00 H new ATOM 0 HZ PHE A 202 -6.986 -2.753 3.175 1.00 0.00 H new ATOM 283 N VAL A 203 -13.178 -8.171 2.824 1.00 0.00 N ATOM 284 CA VAL A 203 -14.042 -9.344 2.780 1.00 0.00 C ATOM 285 C VAL A 203 -13.246 -10.622 3.020 1.00 0.00 C ATOM 286 O VAL A 203 -12.133 -10.777 2.518 1.00 0.00 O ATOM 287 CB VAL A 203 -14.772 -9.454 1.428 1.00 0.00 C ATOM 288 CG1 VAL A 203 -15.781 -8.326 1.273 1.00 0.00 C ATOM 289 CG2 VAL A 203 -13.772 -9.447 0.282 1.00 0.00 C ATOM 0 H VAL A 203 -12.958 -7.774 1.910 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.779 -9.223 3.574 1.00 0.00 H new ATOM 0 HB VAL A 203 -15.314 -10.400 1.402 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -16.287 -8.420 0.312 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -16.515 -8.382 2.077 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -15.265 -7.367 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -14.304 -9.525 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -13.202 -8.518 0.302 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -13.092 -10.292 0.387 1.00 0.00 H new ATOM 299 N PHE A 204 -13.824 -11.537 3.792 1.00 0.00 N ATOM 300 CA PHE A 204 -13.169 -12.802 4.100 1.00 0.00 C ATOM 301 C PHE A 204 -12.528 -13.401 2.852 1.00 0.00 C ATOM 302 O PHE A 204 -11.589 -14.192 2.941 1.00 0.00 O ATOM 303 CB PHE A 204 -14.174 -13.791 4.695 1.00 0.00 C ATOM 304 CG PHE A 204 -14.811 -14.686 3.671 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.975 -14.303 3.024 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.247 -15.912 3.356 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.564 -15.124 2.081 1.00 0.00 C ATOM 308 CE2 PHE A 204 -14.831 -16.737 2.414 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.991 -16.344 1.776 1.00 0.00 C ATOM 0 H PHE A 204 -14.745 -11.425 4.216 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.385 -12.607 4.832 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.669 -14.406 5.440 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -14.954 -13.235 5.216 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.428 -13.351 3.260 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.341 -16.226 3.852 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -17.471 -14.813 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -14.380 -17.689 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.449 -16.989 1.040 1.00 0.00 H new ATOM 319 N ASP A 205 -13.042 -13.017 1.688 1.00 0.00 N ATOM 320 CA ASP A 205 -12.521 -13.515 0.421 1.00 0.00 C ATOM 321 C ASP A 205 -11.163 -12.893 0.110 1.00 0.00 C ATOM 322 O ASP A 205 -10.234 -13.581 -0.315 1.00 0.00 O ATOM 323 CB ASP A 205 -13.504 -13.216 -0.712 1.00 0.00 C ATOM 324 CG ASP A 205 -13.323 -14.146 -1.896 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.360 -13.945 -2.666 1.00 0.00 O ATOM 326 OD2 ASP A 205 -14.144 -15.073 -2.054 1.00 0.00 O ATOM 0 H ASP A 205 -13.819 -12.362 1.596 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.395 -14.594 0.507 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.524 -13.304 -0.337 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.373 -12.185 -1.040 1.00 0.00 H new ATOM 331 N THR A 206 -11.054 -11.585 0.323 1.00 0.00 N ATOM 332 CA THR A 206 -9.811 -10.869 0.064 1.00 0.00 C ATOM 333 C THR A 206 -8.861 -10.968 1.252 1.00 0.00 C ATOM 334 O THR A 206 -7.670 -11.232 1.086 1.00 0.00 O ATOM 335 CB THR A 206 -10.073 -9.383 -0.247 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.629 -8.733 0.902 1.00 0.00 O ATOM 337 CG2 THR A 206 -11.022 -9.236 -1.427 1.00 0.00 C ATOM 0 H THR A 206 -11.812 -11.000 0.674 1.00 0.00 H new ATOM 0 HA THR A 206 -9.351 -11.339 -0.805 1.00 0.00 H new ATOM 0 HB THR A 206 -9.123 -8.916 -0.505 1.00 0.00 H new ATOM 0 HG1 THR A 206 -11.240 -9.346 1.361 1.00 0.00 H new ATOM 0 HG21 THR A 206 -11.192 -8.178 -1.628 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.584 -9.707 -2.307 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.971 -9.718 -1.193 1.00 0.00 H new ATOM 345 N ILE A 207 -9.396 -10.756 2.450 1.00 0.00 N ATOM 346 CA ILE A 207 -8.595 -10.824 3.666 1.00 0.00 C ATOM 347 C ILE A 207 -7.502 -11.880 3.546 1.00 0.00 C ATOM 348 O ILE A 207 -6.408 -11.718 4.086 1.00 0.00 O ATOM 349 CB ILE A 207 -9.465 -11.140 4.897 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.758 -10.693 6.177 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.785 -12.626 4.952 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.981 -9.235 6.514 1.00 0.00 C ATOM 0 H ILE A 207 -10.380 -10.536 2.604 1.00 0.00 H new ATOM 0 HA ILE A 207 -8.137 -9.843 3.797 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.402 -10.590 4.812 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -9.106 -11.307 7.008 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.688 -10.874 6.073 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.400 -12.834 5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.326 -12.915 4.051 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.858 -13.196 5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.450 -8.989 7.434 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.607 -8.612 5.701 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -10.047 -9.052 6.650 1.00 0.00 H new ATOM 364 N GLN A 208 -7.806 -12.961 2.834 1.00 0.00 N ATOM 365 CA GLN A 208 -6.848 -14.043 2.642 1.00 0.00 C ATOM 366 C GLN A 208 -5.574 -13.532 1.977 1.00 0.00 C ATOM 367 O GLN A 208 -4.477 -13.686 2.514 1.00 0.00 O ATOM 368 CB GLN A 208 -7.467 -15.157 1.796 1.00 0.00 C ATOM 369 CG GLN A 208 -8.579 -15.913 2.505 1.00 0.00 C ATOM 370 CD GLN A 208 -9.405 -16.760 1.558 1.00 0.00 C ATOM 371 OE1 GLN A 208 -9.592 -17.957 1.779 1.00 0.00 O ATOM 372 NE2 GLN A 208 -9.905 -16.143 0.494 1.00 0.00 N ATOM 0 H GLN A 208 -8.708 -13.110 2.381 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.589 -14.442 3.623 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.861 -14.726 0.876 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.686 -15.861 1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -8.145 -16.552 3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -9.231 -15.202 3.012 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.725 -15.149 0.349 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -10.469 -16.663 -0.179 1.00 0.00 H new ATOM 381 N SER A 209 -5.728 -12.923 0.806 1.00 0.00 N ATOM 382 CA SER A 209 -4.589 -12.392 0.065 1.00 0.00 C ATOM 383 C SER A 209 -4.080 -11.103 0.702 1.00 0.00 C ATOM 384 O SER A 209 -2.874 -10.856 0.755 1.00 0.00 O ATOM 385 CB SER A 209 -4.977 -12.135 -1.392 1.00 0.00 C ATOM 386 OG SER A 209 -4.767 -13.290 -2.186 1.00 0.00 O ATOM 0 H SER A 209 -6.630 -12.785 0.350 1.00 0.00 H new ATOM 0 HA SER A 209 -3.790 -13.132 0.096 1.00 0.00 H new ATOM 0 HB2 SER A 209 -6.024 -11.838 -1.446 1.00 0.00 H new ATOM 0 HB3 SER A 209 -4.390 -11.306 -1.787 1.00 0.00 H new ATOM 0 HG SER A 209 -5.024 -13.101 -3.113 1.00 0.00 H new ATOM 392 N HIS A 210 -5.007 -10.282 1.186 1.00 0.00 N ATOM 393 CA HIS A 210 -4.654 -9.018 1.821 1.00 0.00 C ATOM 394 C HIS A 210 -3.488 -9.202 2.788 1.00 0.00 C ATOM 395 O HIS A 210 -2.514 -8.452 2.749 1.00 0.00 O ATOM 396 CB HIS A 210 -5.860 -8.440 2.562 1.00 0.00 C ATOM 397 CG HIS A 210 -5.493 -7.438 3.613 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.134 -6.139 3.322 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.434 -7.550 4.961 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.867 -5.496 4.445 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.042 -6.330 5.454 1.00 0.00 N ATOM 0 H HIS A 210 -6.009 -10.470 1.150 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.349 -8.321 1.040 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.528 -7.970 1.841 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.415 -9.255 3.027 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -5.083 -5.737 2.386 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.654 -8.434 5.541 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.558 -4.464 4.524 1.00 0.00 H new ATOM 409 N GLN A 211 -3.597 -10.205 3.653 1.00 0.00 N ATOM 410 CA GLN A 211 -2.552 -10.486 4.631 1.00 0.00 C ATOM 411 C GLN A 211 -1.173 -10.175 4.058 1.00 0.00 C ATOM 412 O GLN A 211 -0.276 -9.737 4.779 1.00 0.00 O ATOM 413 CB GLN A 211 -2.616 -11.950 5.070 1.00 0.00 C ATOM 414 CG GLN A 211 -3.764 -12.250 6.021 1.00 0.00 C ATOM 415 CD GLN A 211 -3.654 -13.622 6.655 1.00 0.00 C ATOM 416 OE1 GLN A 211 -3.206 -13.759 7.793 1.00 0.00 O ATOM 417 NE2 GLN A 211 -4.063 -14.649 5.919 1.00 0.00 N ATOM 0 H GLN A 211 -4.397 -10.836 3.697 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.718 -9.846 5.498 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -2.712 -12.582 4.187 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.676 -12.218 5.553 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.789 -11.493 6.805 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.707 -12.179 5.479 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.428 -14.490 4.980 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.012 -15.597 6.293 1.00 0.00 H new ATOM 426 N TYR A 212 -1.012 -10.404 2.760 1.00 0.00 N ATOM 427 CA TYR A 212 0.259 -10.151 2.092 1.00 0.00 C ATOM 428 C TYR A 212 0.434 -8.664 1.799 1.00 0.00 C ATOM 429 O TYR A 212 1.488 -8.088 2.065 1.00 0.00 O ATOM 430 CB TYR A 212 0.344 -10.952 0.791 1.00 0.00 C ATOM 431 CG TYR A 212 0.879 -12.354 0.977 1.00 0.00 C ATOM 432 CD1 TYR A 212 0.033 -13.402 1.319 1.00 0.00 C ATOM 433 CD2 TYR A 212 2.230 -12.630 0.809 1.00 0.00 C ATOM 434 CE1 TYR A 212 0.518 -14.684 1.491 1.00 0.00 C ATOM 435 CE2 TYR A 212 2.723 -13.910 0.977 1.00 0.00 C ATOM 436 CZ TYR A 212 1.864 -14.933 1.318 1.00 0.00 C ATOM 437 OH TYR A 212 2.350 -16.209 1.487 1.00 0.00 O ATOM 0 H TYR A 212 -1.745 -10.764 2.149 1.00 0.00 H new ATOM 0 HA TYR A 212 1.060 -10.468 2.759 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.648 -11.007 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 212 0.983 -10.419 0.087 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -1.022 -13.211 1.453 1.00 0.00 H new ATOM 0 HD2 TYR A 212 2.906 -11.831 0.543 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -0.153 -15.487 1.759 1.00 0.00 H new ATOM 0 HE2 TYR A 212 3.776 -14.108 0.842 1.00 0.00 H new ATOM 0 HH TYR A 212 3.317 -16.215 1.328 1.00 0.00 H new ATOM 447 N GLN A 213 -0.609 -8.049 1.249 1.00 0.00 N ATOM 448 CA GLN A 213 -0.571 -6.629 0.920 1.00 0.00 C ATOM 449 C GLN A 213 -0.388 -5.784 2.176 1.00 0.00 C ATOM 450 O GLN A 213 0.439 -4.873 2.209 1.00 0.00 O ATOM 451 CB GLN A 213 -1.855 -6.218 0.197 1.00 0.00 C ATOM 452 CG GLN A 213 -2.109 -6.999 -1.082 1.00 0.00 C ATOM 453 CD GLN A 213 -1.409 -6.396 -2.284 1.00 0.00 C ATOM 454 OE1 GLN A 213 -0.201 -6.158 -2.258 1.00 0.00 O ATOM 455 NE2 GLN A 213 -2.165 -6.145 -3.346 1.00 0.00 N ATOM 0 H GLN A 213 -1.489 -8.512 1.022 1.00 0.00 H new ATOM 0 HA GLN A 213 0.280 -6.457 0.261 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.701 -6.355 0.870 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.805 -5.155 -0.040 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -1.772 -8.027 -0.948 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -3.182 -7.037 -1.273 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -3.162 -6.358 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 213 -1.749 -5.739 -4.184 1.00 0.00 H new ATOM 464 N CYS A 214 -1.166 -6.091 3.209 1.00 0.00 N ATOM 465 CA CYS A 214 -1.091 -5.360 4.467 1.00 0.00 C ATOM 466 C CYS A 214 0.341 -4.920 4.756 1.00 0.00 C ATOM 467 O CYS A 214 1.218 -5.731 5.056 1.00 0.00 O ATOM 468 CB CYS A 214 -1.612 -6.225 5.616 1.00 0.00 C ATOM 469 SG CYS A 214 -2.129 -5.279 7.085 1.00 0.00 S ATOM 0 H CYS A 214 -1.856 -6.842 3.199 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.715 -4.471 4.379 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.458 -6.813 5.259 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.834 -6.931 5.907 1.00 0.00 H new ATOM 474 N PRO A 215 0.586 -3.604 4.666 1.00 0.00 N ATOM 475 CA PRO A 215 1.910 -3.026 4.914 1.00 0.00 C ATOM 476 C PRO A 215 2.307 -3.097 6.385 1.00 0.00 C ATOM 477 O PRO A 215 3.397 -3.560 6.721 1.00 0.00 O ATOM 478 CB PRO A 215 1.749 -1.568 4.474 1.00 0.00 C ATOM 479 CG PRO A 215 0.293 -1.287 4.621 1.00 0.00 C ATOM 480 CD PRO A 215 -0.412 -2.579 4.314 1.00 0.00 C ATOM 0 HA PRO A 215 2.695 -3.562 4.381 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.346 -0.899 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.078 -1.426 3.444 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.061 -0.947 5.630 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.023 -0.498 3.938 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.324 -2.688 4.900 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.699 -2.641 3.264 1.00 0.00 H new ATOM 488 N ARG A 216 1.416 -2.637 7.257 1.00 0.00 N ATOM 489 CA ARG A 216 1.674 -2.649 8.691 1.00 0.00 C ATOM 490 C ARG A 216 2.447 -3.902 9.094 1.00 0.00 C ATOM 491 O ARG A 216 3.235 -3.880 10.041 1.00 0.00 O ATOM 492 CB ARG A 216 0.358 -2.576 9.469 1.00 0.00 C ATOM 493 CG ARG A 216 -0.214 -1.172 9.567 1.00 0.00 C ATOM 494 CD ARG A 216 0.655 -0.275 10.434 1.00 0.00 C ATOM 495 NE ARG A 216 -0.127 0.760 11.107 1.00 0.00 N ATOM 496 CZ ARG A 216 0.392 1.896 11.557 1.00 0.00 C ATOM 497 NH1 ARG A 216 1.686 2.144 11.407 1.00 0.00 N ATOM 498 NH2 ARG A 216 -0.384 2.789 12.159 1.00 0.00 N ATOM 0 H ARG A 216 0.509 -2.251 6.995 1.00 0.00 H new ATOM 0 HA ARG A 216 2.280 -1.776 8.933 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.375 -3.225 8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.518 -2.965 10.475 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.300 -0.743 8.569 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.221 -1.216 9.982 1.00 0.00 H new ATOM 0 HD2 ARG A 216 1.172 -0.881 11.179 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.421 0.194 9.817 1.00 0.00 H new ATOM 0 HE ARG A 216 -1.126 0.601 11.238 1.00 0.00 H new ATOM 0 HH11 ARG A 216 2.286 1.461 10.945 1.00 0.00 H new ATOM 0 HH12 ARG A 216 2.081 3.018 11.754 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -1.380 2.603 12.276 1.00 0.00 H new ATOM 0 HH22 ARG A 216 0.016 3.662 12.504 1.00 0.00 H new ATOM 512 N LEU A 217 2.215 -4.991 8.371 1.00 0.00 N ATOM 513 CA LEU A 217 2.889 -6.254 8.653 1.00 0.00 C ATOM 514 C LEU A 217 4.401 -6.062 8.719 1.00 0.00 C ATOM 515 O LEU A 217 5.002 -5.382 7.887 1.00 0.00 O ATOM 516 CB LEU A 217 2.542 -7.290 7.583 1.00 0.00 C ATOM 517 CG LEU A 217 3.157 -8.678 7.767 1.00 0.00 C ATOM 518 CD1 LEU A 217 2.237 -9.566 8.590 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.449 -9.315 6.416 1.00 0.00 C ATOM 0 H LEU A 217 1.566 -5.026 7.585 1.00 0.00 H new ATOM 0 HA LEU A 217 2.544 -6.612 9.623 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.458 -7.397 7.548 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.856 -6.901 6.614 1.00 0.00 H new ATOM 0 HG LEU A 217 4.098 -8.568 8.306 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.692 -10.549 8.710 1.00 0.00 H new ATOM 0 HD12 LEU A 217 2.079 -9.117 9.571 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.279 -9.669 8.080 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.886 -10.302 6.566 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.522 -9.411 5.851 1.00 0.00 H new ATOM 0 HD23 LEU A 217 4.148 -8.689 5.862 1.00 0.00 H new ATOM 531 N PRO A 218 5.032 -6.676 9.731 1.00 0.00 N ATOM 532 CA PRO A 218 6.482 -6.590 9.928 1.00 0.00 C ATOM 533 C PRO A 218 7.259 -7.345 8.855 1.00 0.00 C ATOM 534 O PRO A 218 6.883 -8.450 8.463 1.00 0.00 O ATOM 535 CB PRO A 218 6.693 -7.240 11.298 1.00 0.00 C ATOM 536 CG PRO A 218 5.534 -8.161 11.463 1.00 0.00 C ATOM 537 CD PRO A 218 4.379 -7.503 10.759 1.00 0.00 C ATOM 0 HA PRO A 218 6.841 -5.563 9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.638 -7.782 11.338 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.721 -6.492 12.091 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.748 -9.139 11.032 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.309 -8.320 12.518 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.707 -8.238 10.316 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.784 -6.898 11.443 1.00 0.00 H new ATOM 545 N VAL A 219 8.346 -6.742 8.384 1.00 0.00 N ATOM 546 CA VAL A 219 9.177 -7.359 7.357 1.00 0.00 C ATOM 547 C VAL A 219 10.653 -7.297 7.734 1.00 0.00 C ATOM 548 O VAL A 219 11.181 -6.229 8.042 1.00 0.00 O ATOM 549 CB VAL A 219 8.979 -6.677 5.990 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.515 -6.718 5.580 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.490 -5.244 6.031 1.00 0.00 C ATOM 0 H VAL A 219 8.671 -5.827 8.697 1.00 0.00 H new ATOM 0 HA VAL A 219 8.867 -8.401 7.283 1.00 0.00 H new ATOM 0 HB VAL A 219 9.556 -7.223 5.244 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.394 -6.232 4.612 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.186 -7.755 5.509 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.914 -6.197 6.325 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.342 -4.777 5.057 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.942 -4.684 6.789 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.552 -5.243 6.276 1.00 0.00 H new ATOM 561 N ALA A 220 11.314 -8.450 7.708 1.00 0.00 N ATOM 562 CA ALA A 220 12.730 -8.526 8.045 1.00 0.00 C ATOM 563 C ALA A 220 13.556 -7.601 7.158 1.00 0.00 C ATOM 564 O ALA A 220 13.424 -7.617 5.934 1.00 0.00 O ATOM 565 CB ALA A 220 13.225 -9.960 7.921 1.00 0.00 C ATOM 0 H ALA A 220 10.891 -9.344 7.457 1.00 0.00 H new ATOM 0 HA ALA A 220 12.851 -8.199 9.078 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.284 -10.003 8.175 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.662 -10.599 8.601 1.00 0.00 H new ATOM 0 HB3 ALA A 220 13.084 -10.306 6.897 1.00 0.00 H new ATOM 571 N CYS A 221 14.408 -6.795 7.783 1.00 0.00 N ATOM 572 CA CYS A 221 15.255 -5.861 7.051 1.00 0.00 C ATOM 573 C CYS A 221 16.186 -6.605 6.098 1.00 0.00 C ATOM 574 O CYS A 221 16.781 -7.626 6.442 1.00 0.00 O ATOM 575 CB CYS A 221 16.075 -5.013 8.025 1.00 0.00 C ATOM 576 SG CYS A 221 17.246 -3.876 7.216 1.00 0.00 S ATOM 0 H CYS A 221 14.530 -6.770 8.795 1.00 0.00 H new ATOM 0 HA CYS A 221 14.610 -5.206 6.464 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.394 -4.433 8.648 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.629 -5.676 8.690 1.00 0.00 H new ATOM 581 N PRO A 222 16.318 -6.080 4.870 1.00 0.00 N ATOM 582 CA PRO A 222 17.176 -6.677 3.842 1.00 0.00 C ATOM 583 C PRO A 222 18.658 -6.533 4.169 1.00 0.00 C ATOM 584 O PRO A 222 19.473 -7.369 3.781 1.00 0.00 O ATOM 585 CB PRO A 222 16.826 -5.881 2.582 1.00 0.00 C ATOM 586 CG PRO A 222 16.330 -4.570 3.088 1.00 0.00 C ATOM 587 CD PRO A 222 15.639 -4.864 4.391 1.00 0.00 C ATOM 0 HA PRO A 222 17.010 -7.750 3.745 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.697 -5.753 1.940 1.00 0.00 H new ATOM 0 HB3 PRO A 222 16.065 -6.390 1.990 1.00 0.00 H new ATOM 0 HG2 PRO A 222 17.153 -3.870 3.232 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.643 -4.112 2.377 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.745 -4.040 5.097 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.571 -5.029 4.251 1.00 0.00 H new ATOM 595 N ASN A 223 19.001 -5.467 4.885 1.00 0.00 N ATOM 596 CA ASN A 223 20.386 -5.214 5.264 1.00 0.00 C ATOM 597 C ASN A 223 20.756 -5.990 6.524 1.00 0.00 C ATOM 598 O ASN A 223 21.916 -6.009 6.934 1.00 0.00 O ATOM 599 CB ASN A 223 20.609 -3.717 5.490 1.00 0.00 C ATOM 600 CG ASN A 223 20.683 -2.941 4.189 1.00 0.00 C ATOM 601 OD1 ASN A 223 20.359 -3.463 3.122 1.00 0.00 O ATOM 602 ND2 ASN A 223 21.112 -1.687 4.272 1.00 0.00 N ATOM 0 H ASN A 223 18.339 -4.765 5.214 1.00 0.00 H new ATOM 0 HA ASN A 223 21.027 -5.552 4.450 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.799 -3.320 6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.532 -3.570 6.050 1.00 0.00 H new ATOM 0 HD21 ASN A 223 21.184 -1.116 3.430 1.00 0.00 H new ATOM 0 HD22 ASN A 223 21.370 -1.295 5.178 1.00 0.00 H new ATOM 609 N GLN A 224 19.761 -6.628 7.133 1.00 0.00 N ATOM 610 CA GLN A 224 19.983 -7.406 8.346 1.00 0.00 C ATOM 611 C GLN A 224 20.825 -6.623 9.348 1.00 0.00 C ATOM 612 O GLN A 224 21.835 -7.119 9.847 1.00 0.00 O ATOM 613 CB GLN A 224 20.669 -8.731 8.010 1.00 0.00 C ATOM 614 CG GLN A 224 19.746 -9.744 7.353 1.00 0.00 C ATOM 615 CD GLN A 224 19.044 -10.634 8.360 1.00 0.00 C ATOM 616 OE1 GLN A 224 18.637 -10.179 9.429 1.00 0.00 O ATOM 617 NE2 GLN A 224 18.899 -11.910 8.023 1.00 0.00 N ATOM 0 H GLN A 224 18.795 -6.621 6.807 1.00 0.00 H new ATOM 0 HA GLN A 224 19.013 -7.613 8.797 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.512 -8.536 7.347 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.076 -9.162 8.925 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.000 -9.217 6.757 1.00 0.00 H new ATOM 0 HG3 GLN A 224 20.323 -10.364 6.666 1.00 0.00 H new ATOM 0 HE21 GLN A 224 19.252 -12.244 7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 224 18.435 -12.556 8.661 1.00 0.00 H new ATOM 626 N CYS A 225 20.402 -5.397 9.639 1.00 0.00 N ATOM 627 CA CYS A 225 21.117 -4.545 10.581 1.00 0.00 C ATOM 628 C CYS A 225 21.011 -5.094 12.001 1.00 0.00 C ATOM 629 O CYS A 225 22.016 -5.264 12.689 1.00 0.00 O ATOM 630 CB CYS A 225 20.565 -3.119 10.531 1.00 0.00 C ATOM 631 SG CYS A 225 18.748 -3.021 10.629 1.00 0.00 S ATOM 0 H CYS A 225 19.567 -4.972 9.236 1.00 0.00 H new ATOM 0 HA CYS A 225 22.168 -4.531 10.294 1.00 0.00 H new ATOM 0 HB2 CYS A 225 20.994 -2.546 11.353 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.894 -2.646 9.606 1.00 0.00 H new ATOM 636 N GLY A 226 19.784 -5.370 12.433 1.00 0.00 N ATOM 637 CA GLY A 226 19.568 -5.897 13.767 1.00 0.00 C ATOM 638 C GLY A 226 18.137 -5.721 14.236 1.00 0.00 C ATOM 639 O GLY A 226 17.594 -6.579 14.932 1.00 0.00 O ATOM 0 H GLY A 226 18.936 -5.238 11.882 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.824 -6.956 13.782 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.240 -5.397 14.465 1.00 0.00 H new ATOM 643 N VAL A 227 17.524 -4.605 13.854 1.00 0.00 N ATOM 644 CA VAL A 227 16.147 -4.319 14.240 1.00 0.00 C ATOM 645 C VAL A 227 15.290 -5.579 14.194 1.00 0.00 C ATOM 646 O VAL A 227 14.296 -5.693 14.910 1.00 0.00 O ATOM 647 CB VAL A 227 15.518 -3.251 13.326 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.589 -3.685 11.870 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.081 -2.975 13.740 1.00 0.00 C ATOM 0 H VAL A 227 17.959 -3.884 13.278 1.00 0.00 H new ATOM 0 HA VAL A 227 16.177 -3.940 15.262 1.00 0.00 H new ATOM 0 HB VAL A 227 16.086 -2.327 13.432 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.140 -2.918 11.239 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.631 -3.826 11.583 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.047 -4.622 11.743 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.652 -2.218 13.083 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.498 -3.893 13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.061 -2.616 14.769 1.00 0.00 H new ATOM 659 N GLY A 228 15.684 -6.526 13.347 1.00 0.00 N ATOM 660 CA GLY A 228 14.941 -7.766 13.223 1.00 0.00 C ATOM 661 C GLY A 228 13.786 -7.656 12.247 1.00 0.00 C ATOM 662 O GLY A 228 13.820 -8.241 11.164 1.00 0.00 O ATOM 0 H GLY A 228 16.504 -6.456 12.745 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.615 -8.558 12.896 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.559 -8.056 14.202 1.00 0.00 H new ATOM 666 N THR A 229 12.759 -6.904 12.631 1.00 0.00 N ATOM 667 CA THR A 229 11.587 -6.721 11.783 1.00 0.00 C ATOM 668 C THR A 229 10.978 -5.338 11.979 1.00 0.00 C ATOM 669 O THR A 229 11.025 -4.777 13.074 1.00 0.00 O ATOM 670 CB THR A 229 10.514 -7.788 12.071 1.00 0.00 C ATOM 671 OG1 THR A 229 10.154 -7.760 13.456 1.00 0.00 O ATOM 672 CG2 THR A 229 11.017 -9.175 11.701 1.00 0.00 C ATOM 0 H THR A 229 12.715 -6.412 13.523 1.00 0.00 H new ATOM 0 HA THR A 229 11.923 -6.824 10.751 1.00 0.00 H new ATOM 0 HB THR A 229 9.637 -7.562 11.464 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.470 -8.440 13.630 1.00 0.00 H new ATOM 0 HG21 THR A 229 10.242 -9.912 11.913 1.00 0.00 H new ATOM 0 HG22 THR A 229 11.262 -9.202 10.639 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.908 -9.407 12.285 1.00 0.00 H new ATOM 680 N VAL A 230 10.405 -4.793 10.911 1.00 0.00 N ATOM 681 CA VAL A 230 9.783 -3.475 10.966 1.00 0.00 C ATOM 682 C VAL A 230 8.698 -3.334 9.905 1.00 0.00 C ATOM 683 O VAL A 230 8.853 -3.803 8.778 1.00 0.00 O ATOM 684 CB VAL A 230 10.824 -2.355 10.772 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.478 -2.466 9.403 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.177 -0.990 10.954 1.00 0.00 C ATOM 0 H VAL A 230 10.358 -5.244 9.997 1.00 0.00 H new ATOM 0 HA VAL A 230 9.335 -3.378 11.955 1.00 0.00 H new ATOM 0 HB VAL A 230 11.600 -2.468 11.529 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.210 -1.667 9.284 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.977 -3.431 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.717 -2.379 8.628 1.00 0.00 H new ATOM 0 HG21 VAL A 230 10.926 -0.211 10.814 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.381 -0.864 10.221 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.760 -0.916 11.958 1.00 0.00 H new ATOM 696 N ALA A 231 7.598 -2.685 10.274 1.00 0.00 N ATOM 697 CA ALA A 231 6.487 -2.480 9.353 1.00 0.00 C ATOM 698 C ALA A 231 6.989 -2.232 7.934 1.00 0.00 C ATOM 699 O ALA A 231 8.021 -1.593 7.733 1.00 0.00 O ATOM 700 CB ALA A 231 5.623 -1.318 9.819 1.00 0.00 C ATOM 0 H ALA A 231 7.453 -2.292 11.204 1.00 0.00 H new ATOM 0 HA ALA A 231 5.883 -3.387 9.344 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.797 -1.176 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.227 -1.534 10.811 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.225 -0.410 9.858 1.00 0.00 H new ATOM 706 N ARG A 232 6.251 -2.743 6.953 1.00 0.00 N ATOM 707 CA ARG A 232 6.623 -2.579 5.553 1.00 0.00 C ATOM 708 C ARG A 232 6.591 -1.108 5.151 1.00 0.00 C ATOM 709 O ARG A 232 7.449 -0.641 4.403 1.00 0.00 O ATOM 710 CB ARG A 232 5.681 -3.384 4.656 1.00 0.00 C ATOM 711 CG ARG A 232 5.807 -3.044 3.180 1.00 0.00 C ATOM 712 CD ARG A 232 5.229 -4.144 2.303 1.00 0.00 C ATOM 713 NE ARG A 232 6.166 -5.249 2.123 1.00 0.00 N ATOM 714 CZ ARG A 232 5.878 -6.353 1.443 1.00 0.00 C ATOM 715 NH1 ARG A 232 4.685 -6.498 0.882 1.00 0.00 N ATOM 716 NH2 ARG A 232 6.784 -7.315 1.322 1.00 0.00 N ATOM 0 H ARG A 232 5.393 -3.274 7.102 1.00 0.00 H new ATOM 0 HA ARG A 232 7.640 -2.950 5.427 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.881 -4.447 4.794 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.653 -3.210 4.974 1.00 0.00 H new ATOM 0 HG2 ARG A 232 5.291 -2.106 2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 232 6.857 -2.891 2.929 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.308 -4.519 2.751 1.00 0.00 H new ATOM 0 HD3 ARG A 232 4.965 -3.730 1.330 1.00 0.00 H new ATOM 0 HE ARG A 232 7.092 -5.169 2.542 1.00 0.00 H new ATOM 0 HH11 ARG A 232 3.986 -5.761 0.972 1.00 0.00 H new ATOM 0 HH12 ARG A 232 4.467 -7.347 0.360 1.00 0.00 H new ATOM 0 HH21 ARG A 232 7.703 -7.207 1.751 1.00 0.00 H new ATOM 0 HH22 ARG A 232 6.562 -8.162 0.800 1.00 0.00 H new ATOM 730 N GLU A 233 5.596 -0.383 5.654 1.00 0.00 N ATOM 731 CA GLU A 233 5.453 1.035 5.345 1.00 0.00 C ATOM 732 C GLU A 233 6.365 1.879 6.231 1.00 0.00 C ATOM 733 O GLU A 233 6.348 3.108 6.165 1.00 0.00 O ATOM 734 CB GLU A 233 3.998 1.474 5.527 1.00 0.00 C ATOM 735 CG GLU A 233 3.480 1.293 6.943 1.00 0.00 C ATOM 736 CD GLU A 233 2.229 2.106 7.215 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.247 1.954 6.457 1.00 0.00 O ATOM 738 OE2 GLU A 233 2.230 2.893 8.184 1.00 0.00 O ATOM 0 H GLU A 233 4.878 -0.754 6.276 1.00 0.00 H new ATOM 0 HA GLU A 233 5.744 1.186 4.305 1.00 0.00 H new ATOM 0 HB2 GLU A 233 3.906 2.523 5.247 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.368 0.906 4.843 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.268 0.238 7.116 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.258 1.582 7.650 1.00 0.00 H new ATOM 745 N ASP A 234 7.160 1.210 7.059 1.00 0.00 N ATOM 746 CA ASP A 234 8.080 1.898 7.957 1.00 0.00 C ATOM 747 C ASP A 234 9.528 1.576 7.603 1.00 0.00 C ATOM 748 O ASP A 234 10.460 2.143 8.175 1.00 0.00 O ATOM 749 CB ASP A 234 7.798 1.505 9.408 1.00 0.00 C ATOM 750 CG ASP A 234 6.649 2.292 10.008 1.00 0.00 C ATOM 751 OD1 ASP A 234 5.575 2.349 9.375 1.00 0.00 O ATOM 752 OD2 ASP A 234 6.825 2.852 11.111 1.00 0.00 O ATOM 0 H ASP A 234 7.186 0.193 7.127 1.00 0.00 H new ATOM 0 HA ASP A 234 7.927 2.971 7.842 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.569 0.440 9.455 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.695 1.665 10.006 1.00 0.00 H new ATOM 757 N LEU A 235 9.711 0.661 6.657 1.00 0.00 N ATOM 758 CA LEU A 235 11.046 0.262 6.226 1.00 0.00 C ATOM 759 C LEU A 235 11.786 1.435 5.589 1.00 0.00 C ATOM 760 O LEU A 235 12.961 1.681 5.862 1.00 0.00 O ATOM 761 CB LEU A 235 10.958 -0.899 5.234 1.00 0.00 C ATOM 762 CG LEU A 235 12.134 -1.876 5.239 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.262 -2.552 6.595 1.00 0.00 C ATOM 764 CD2 LEU A 235 11.970 -2.914 4.138 1.00 0.00 C ATOM 0 H LEU A 235 8.951 0.182 6.174 1.00 0.00 H new ATOM 0 HA LEU A 235 11.603 -0.061 7.105 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.046 -1.459 5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.859 -0.486 4.230 1.00 0.00 H new ATOM 0 HG LEU A 235 13.048 -1.314 5.049 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.104 -3.244 6.579 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.427 -1.797 7.364 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.346 -3.101 6.816 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.816 -3.601 4.157 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.047 -3.471 4.298 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.929 -2.414 3.170 1.00 0.00 H new ATOM 776 N PRO A 236 11.083 2.177 4.722 1.00 0.00 N ATOM 777 CA PRO A 236 11.652 3.338 4.030 1.00 0.00 C ATOM 778 C PRO A 236 12.388 4.276 4.982 1.00 0.00 C ATOM 779 O PRO A 236 13.597 4.469 4.867 1.00 0.00 O ATOM 780 CB PRO A 236 10.425 4.034 3.436 1.00 0.00 C ATOM 781 CG PRO A 236 9.417 2.949 3.272 1.00 0.00 C ATOM 782 CD PRO A 236 9.678 1.942 4.349 1.00 0.00 C ATOM 0 HA PRO A 236 12.394 3.046 3.287 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.057 4.820 4.096 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.660 4.504 2.481 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.405 3.347 3.353 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.501 2.490 2.287 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.010 2.084 5.199 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.525 0.924 3.990 1.00 0.00 H new ATOM 790 N GLY A 237 11.649 4.857 5.922 1.00 0.00 N ATOM 791 CA GLY A 237 12.248 5.768 6.880 1.00 0.00 C ATOM 792 C GLY A 237 13.364 5.120 7.676 1.00 0.00 C ATOM 793 O GLY A 237 14.298 5.794 8.112 1.00 0.00 O ATOM 0 H GLY A 237 10.646 4.713 6.037 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.639 6.638 6.353 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.480 6.128 7.564 1.00 0.00 H new ATOM 797 N HIS A 238 13.267 3.808 7.868 1.00 0.00 N ATOM 798 CA HIS A 238 14.276 3.069 8.618 1.00 0.00 C ATOM 799 C HIS A 238 15.584 2.989 7.837 1.00 0.00 C ATOM 800 O HIS A 238 16.642 3.375 8.337 1.00 0.00 O ATOM 801 CB HIS A 238 13.773 1.661 8.939 1.00 0.00 C ATOM 802 CG HIS A 238 14.873 0.675 9.188 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.412 0.448 10.436 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.533 -0.148 8.339 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.357 -0.470 10.345 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.451 -0.848 9.083 1.00 0.00 N ATOM 0 H HIS A 238 12.500 3.235 7.515 1.00 0.00 H new ATOM 0 HA HIS A 238 14.463 3.602 9.550 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.130 1.705 9.818 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.158 1.306 8.112 1.00 0.00 H new ATOM 0 HD1 HIS A 238 15.126 0.916 11.296 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.368 -0.237 7.275 1.00 0.00 H new ATOM 0 HE1 HIS A 238 16.952 -0.848 11.164 1.00 0.00 H new ATOM 814 N LEU A 239 15.505 2.487 6.610 1.00 0.00 N ATOM 815 CA LEU A 239 16.684 2.356 5.760 1.00 0.00 C ATOM 816 C LEU A 239 17.383 3.700 5.589 1.00 0.00 C ATOM 817 O LEU A 239 18.526 3.764 5.133 1.00 0.00 O ATOM 818 CB LEU A 239 16.290 1.795 4.393 1.00 0.00 C ATOM 819 CG LEU A 239 15.921 0.311 4.357 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.096 -0.004 3.118 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.173 -0.552 4.400 1.00 0.00 C ATOM 0 H LEU A 239 14.638 2.164 6.181 1.00 0.00 H new ATOM 0 HA LEU A 239 17.376 1.667 6.243 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.443 2.369 4.018 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.117 1.960 3.703 1.00 0.00 H new ATOM 0 HG LEU A 239 15.319 0.085 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.843 -1.064 3.109 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.181 0.588 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.673 0.239 2.225 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.891 -1.604 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.802 -0.323 3.540 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.725 -0.347 5.318 1.00 0.00 H new ATOM 833 N LYS A 240 16.692 4.773 5.958 1.00 0.00 N ATOM 834 CA LYS A 240 17.247 6.117 5.850 1.00 0.00 C ATOM 835 C LYS A 240 18.266 6.376 6.955 1.00 0.00 C ATOM 836 O LYS A 240 19.457 6.539 6.688 1.00 0.00 O ATOM 837 CB LYS A 240 16.129 7.159 5.918 1.00 0.00 C ATOM 838 CG LYS A 240 16.627 8.592 5.830 1.00 0.00 C ATOM 839 CD LYS A 240 15.479 9.571 5.652 1.00 0.00 C ATOM 840 CE LYS A 240 15.097 9.721 4.188 1.00 0.00 C ATOM 841 NZ LYS A 240 16.139 10.451 3.414 1.00 0.00 N ATOM 0 H LYS A 240 15.745 4.738 6.335 1.00 0.00 H new ATOM 0 HA LYS A 240 17.753 6.198 4.888 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.425 6.977 5.106 1.00 0.00 H new ATOM 0 HB3 LYS A 240 15.580 7.031 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 240 17.182 8.841 6.734 1.00 0.00 H new ATOM 0 HG3 LYS A 240 17.320 8.687 4.994 1.00 0.00 H new ATOM 0 HD2 LYS A 240 14.615 9.228 6.221 1.00 0.00 H new ATOM 0 HD3 LYS A 240 15.762 10.543 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 240 14.944 8.735 3.750 1.00 0.00 H new ATOM 0 HE3 LYS A 240 14.149 10.254 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 15.721 10.828 2.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 16.511 11.235 3.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 16.914 9.800 3.175 1.00 0.00 H new ATOM 855 N ASP A 241 17.791 6.410 8.195 1.00 0.00 N ATOM 856 CA ASP A 241 18.662 6.646 9.341 1.00 0.00 C ATOM 857 C ASP A 241 18.872 5.362 10.137 1.00 0.00 C ATOM 858 O ASP A 241 19.994 4.868 10.251 1.00 0.00 O ATOM 859 CB ASP A 241 18.069 7.730 10.243 1.00 0.00 C ATOM 860 CG ASP A 241 19.059 8.224 11.280 1.00 0.00 C ATOM 861 OD1 ASP A 241 19.779 7.386 11.860 1.00 0.00 O ATOM 862 OD2 ASP A 241 19.113 9.450 11.510 1.00 0.00 O ATOM 0 H ASP A 241 16.808 6.277 8.433 1.00 0.00 H new ATOM 0 HA ASP A 241 19.629 6.983 8.969 1.00 0.00 H new ATOM 0 HB2 ASP A 241 17.740 8.569 9.630 1.00 0.00 H new ATOM 0 HB3 ASP A 241 17.186 7.337 10.746 1.00 0.00 H new ATOM 867 N SER A 242 17.786 4.829 10.687 1.00 0.00 N ATOM 868 CA SER A 242 17.853 3.605 11.478 1.00 0.00 C ATOM 869 C SER A 242 18.916 2.659 10.927 1.00 0.00 C ATOM 870 O SER A 242 19.924 2.391 11.581 1.00 0.00 O ATOM 871 CB SER A 242 16.491 2.907 11.491 1.00 0.00 C ATOM 872 OG SER A 242 15.548 3.644 12.250 1.00 0.00 O ATOM 0 H SER A 242 16.850 5.225 10.600 1.00 0.00 H new ATOM 0 HA SER A 242 18.126 3.875 12.498 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.129 2.790 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.596 1.906 11.909 1.00 0.00 H new ATOM 0 HG SER A 242 14.686 3.178 12.242 1.00 0.00 H new ATOM 878 N CYS A 243 18.683 2.157 9.719 1.00 0.00 N ATOM 879 CA CYS A 243 19.619 1.241 9.078 1.00 0.00 C ATOM 880 C CYS A 243 20.909 1.960 8.695 1.00 0.00 C ATOM 881 O CYS A 243 20.878 3.052 8.130 1.00 0.00 O ATOM 882 CB CYS A 243 18.982 0.616 7.834 1.00 0.00 C ATOM 883 SG CYS A 243 19.592 -1.056 7.448 1.00 0.00 S ATOM 0 H CYS A 243 17.854 2.369 9.164 1.00 0.00 H new ATOM 0 HA CYS A 243 19.861 0.452 9.790 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.902 0.574 7.974 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.167 1.265 6.978 1.00 0.00 H new ATOM 888 N ASN A 244 22.041 1.339 9.009 1.00 0.00 N ATOM 889 CA ASN A 244 23.343 1.920 8.699 1.00 0.00 C ATOM 890 C ASN A 244 24.006 1.182 7.539 1.00 0.00 C ATOM 891 O ASN A 244 24.676 0.168 7.736 1.00 0.00 O ATOM 892 CB ASN A 244 24.250 1.878 9.930 1.00 0.00 C ATOM 893 CG ASN A 244 25.640 2.410 9.642 1.00 0.00 C ATOM 894 OD1 ASN A 244 25.828 3.610 9.437 1.00 0.00 O ATOM 895 ND2 ASN A 244 26.624 1.518 9.626 1.00 0.00 N ATOM 0 H ASN A 244 22.084 0.434 9.478 1.00 0.00 H new ATOM 0 HA ASN A 244 23.189 2.958 8.405 1.00 0.00 H new ATOM 0 HB2 ASN A 244 23.798 2.464 10.731 1.00 0.00 H new ATOM 0 HB3 ASN A 244 24.324 0.851 10.289 1.00 0.00 H new ATOM 0 HD21 ASN A 244 27.581 1.817 9.439 1.00 0.00 H new ATOM 0 HD22 ASN A 244 26.423 0.534 9.801 1.00 0.00 H new ATOM 902 N THR A 245 23.814 1.698 6.329 1.00 0.00 N ATOM 903 CA THR A 245 24.392 1.089 5.138 1.00 0.00 C ATOM 904 C THR A 245 25.899 0.915 5.286 1.00 0.00 C ATOM 905 O THR A 245 26.620 1.875 5.557 1.00 0.00 O ATOM 906 CB THR A 245 24.104 1.931 3.881 1.00 0.00 C ATOM 907 OG1 THR A 245 22.709 2.242 3.809 1.00 0.00 O ATOM 908 CG2 THR A 245 24.529 1.187 2.623 1.00 0.00 C ATOM 0 H THR A 245 23.262 2.537 6.148 1.00 0.00 H new ATOM 0 HA THR A 245 23.926 0.110 5.025 1.00 0.00 H new ATOM 0 HB THR A 245 24.678 2.855 3.949 1.00 0.00 H new ATOM 0 HG1 THR A 245 22.534 2.779 3.008 1.00 0.00 H new ATOM 0 HG21 THR A 245 24.316 1.801 1.748 1.00 0.00 H new ATOM 0 HG22 THR A 245 25.598 0.977 2.668 1.00 0.00 H new ATOM 0 HG23 THR A 245 23.978 0.249 2.551 1.00 0.00 H new ATOM 916 N ALA A 246 26.369 -0.315 5.105 1.00 0.00 N ATOM 917 CA ALA A 246 27.792 -0.613 5.216 1.00 0.00 C ATOM 918 C ALA A 246 28.330 -1.209 3.919 1.00 0.00 C ATOM 919 O ALA A 246 29.168 -2.112 3.940 1.00 0.00 O ATOM 920 CB ALA A 246 28.043 -1.560 6.379 1.00 0.00 C ATOM 0 H ALA A 246 25.785 -1.121 4.881 1.00 0.00 H new ATOM 0 HA ALA A 246 28.321 0.321 5.403 1.00 0.00 H new ATOM 0 HB1 ALA A 246 29.109 -1.774 6.450 1.00 0.00 H new ATOM 0 HB2 ALA A 246 27.703 -1.097 7.305 1.00 0.00 H new ATOM 0 HB3 ALA A 246 27.497 -2.489 6.216 1.00 0.00 H new ATOM 926 N LEU A 247 27.843 -0.700 2.793 1.00 0.00 N ATOM 927 CA LEU A 247 28.275 -1.183 1.486 1.00 0.00 C ATOM 928 C LEU A 247 28.302 -0.048 0.468 1.00 0.00 C ATOM 929 O LEU A 247 27.782 1.039 0.720 1.00 0.00 O ATOM 930 CB LEU A 247 27.346 -2.297 1.000 1.00 0.00 C ATOM 931 CG LEU A 247 25.923 -1.874 0.636 1.00 0.00 C ATOM 932 CD1 LEU A 247 25.866 -1.368 -0.797 1.00 0.00 C ATOM 933 CD2 LEU A 247 24.955 -3.031 0.834 1.00 0.00 C ATOM 0 H LEU A 247 27.149 0.047 2.758 1.00 0.00 H new ATOM 0 HA LEU A 247 29.285 -1.579 1.588 1.00 0.00 H new ATOM 0 HB2 LEU A 247 27.799 -2.765 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 247 27.289 -3.060 1.777 1.00 0.00 H new ATOM 0 HG LEU A 247 25.626 -1.061 1.298 1.00 0.00 H new ATOM 0 HD11 LEU A 247 24.845 -1.072 -1.038 1.00 0.00 H new ATOM 0 HD12 LEU A 247 26.529 -0.509 -0.906 1.00 0.00 H new ATOM 0 HD13 LEU A 247 26.183 -2.160 -1.475 1.00 0.00 H new ATOM 0 HD21 LEU A 247 23.947 -2.711 0.570 1.00 0.00 H new ATOM 0 HD22 LEU A 247 25.250 -3.865 0.197 1.00 0.00 H new ATOM 0 HD23 LEU A 247 24.974 -3.347 1.877 1.00 0.00 H new ATOM 945 N VAL A 248 28.911 -0.308 -0.685 1.00 0.00 N ATOM 946 CA VAL A 248 29.003 0.691 -1.743 1.00 0.00 C ATOM 947 C VAL A 248 27.619 1.109 -2.226 1.00 0.00 C ATOM 948 O VAL A 248 27.333 2.298 -2.367 1.00 0.00 O ATOM 949 CB VAL A 248 29.816 0.165 -2.942 1.00 0.00 C ATOM 950 CG1 VAL A 248 31.234 -0.183 -2.514 1.00 0.00 C ATOM 951 CG2 VAL A 248 29.127 -1.040 -3.565 1.00 0.00 C ATOM 0 H VAL A 248 29.348 -1.202 -0.910 1.00 0.00 H new ATOM 0 HA VAL A 248 29.513 1.556 -1.319 1.00 0.00 H new ATOM 0 HB VAL A 248 29.872 0.952 -3.694 1.00 0.00 H new ATOM 0 HG11 VAL A 248 31.793 -0.553 -3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 248 31.723 0.707 -2.118 1.00 0.00 H new ATOM 0 HG13 VAL A 248 31.203 -0.953 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 248 29.715 -1.398 -4.410 1.00 0.00 H new ATOM 0 HG22 VAL A 248 29.039 -1.833 -2.822 1.00 0.00 H new ATOM 0 HG23 VAL A 248 28.133 -0.753 -3.910 1.00 0.00 H new TER 961 VAL A 248 HETATM 962 ZN ZN A 300 -4.437 -5.314 7.123 1.00 0.00 ZN HETATM 963 ZN ZN A 400 17.909 -2.211 8.613 1.00 0.00 ZN