USER MOD reduce.3.24.130724 H: found=0, std=0, add=467, rem=0, adj=16 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 42:sc= 0.736 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+ 160:sc= -0.0345 (180deg=-0.324) USER MOD Single : A 192 THR OG1 : rot 180:sc= 0 USER MOD Single : A 193 GLN : amide:sc= -0.0911 K(o=-0.091,f=-2.1!) 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 6:sc= 0.539 USER MOD Single : A 200 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0316) USER MOD Single : A 206 THR OG1 : rot -30:sc= 0.522 USER MOD Single : A 208 GLN : amide:sc= -0.405 X(o=-0.4,f=-0.19) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= -0.305 X(o=-0.3,f=-0.025) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 223 ASN : amide:sc= -0.0618 X(o=-0.062,f=-0.52) USER MOD Single : A 224 GLN : amide:sc= -2.05 K(o=-2,f=-6.8!) USER MOD Single : A 229 THR OG1 : rot 180:sc= 0 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= -0.764 K(o=-0.76,f=0.032) USER MOD Single : A 245 THR OG1 : rot -80:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 183 -17.208 -8.932 -8.147 1.00 0.00 N ATOM 2 CA GLY A 183 -17.554 -9.898 -9.172 1.00 0.00 C ATOM 3 C GLY A 183 -18.882 -10.579 -8.904 1.00 0.00 C ATOM 4 O GLY A 183 -19.159 -10.990 -7.777 1.00 0.00 O ATOM 0 HA2 GLY A 183 -17.595 -9.397 -10.139 1.00 0.00 H new ATOM 0 HA3 GLY A 183 -16.769 -10.652 -9.236 1.00 0.00 H new ATOM 8 N SER A 184 -19.705 -10.696 -9.940 1.00 0.00 N ATOM 9 CA SER A 184 -21.014 -11.326 -9.810 1.00 0.00 C ATOM 10 C SER A 184 -21.000 -12.733 -10.398 1.00 0.00 C ATOM 11 O SER A 184 -21.138 -12.914 -11.608 1.00 0.00 O ATOM 12 CB SER A 184 -22.082 -10.480 -10.505 1.00 0.00 C ATOM 13 OG SER A 184 -21.770 -10.289 -11.874 1.00 0.00 O ATOM 0 H SER A 184 -19.489 -10.363 -10.880 1.00 0.00 H new ATOM 0 HA SER A 184 -21.252 -11.397 -8.749 1.00 0.00 H new ATOM 0 HB2 SER A 184 -23.053 -10.968 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 184 -22.164 -9.513 -10.009 1.00 0.00 H new ATOM 0 HG SER A 184 -21.442 -11.130 -12.255 1.00 0.00 H new ATOM 19 N SER A 185 -20.833 -13.728 -9.533 1.00 0.00 N ATOM 20 CA SER A 185 -20.797 -15.120 -9.966 1.00 0.00 C ATOM 21 C SER A 185 -22.101 -15.831 -9.617 1.00 0.00 C ATOM 22 O SER A 185 -22.773 -16.383 -10.488 1.00 0.00 O ATOM 23 CB SER A 185 -19.617 -15.848 -9.318 1.00 0.00 C ATOM 24 OG SER A 185 -18.382 -15.346 -9.799 1.00 0.00 O ATOM 0 H SER A 185 -20.720 -13.596 -8.528 1.00 0.00 H new ATOM 0 HA SER A 185 -20.673 -15.135 -11.049 1.00 0.00 H new ATOM 0 HB2 SER A 185 -19.664 -15.731 -8.235 1.00 0.00 H new ATOM 0 HB3 SER A 185 -19.685 -16.916 -9.527 1.00 0.00 H new ATOM 0 HG SER A 185 -17.644 -15.826 -9.369 1.00 0.00 H new ATOM 30 N GLY A 186 -22.453 -15.814 -8.335 1.00 0.00 N ATOM 31 CA GLY A 186 -23.675 -16.460 -7.893 1.00 0.00 C ATOM 32 C GLY A 186 -24.614 -15.503 -7.186 1.00 0.00 C ATOM 33 O GLY A 186 -25.572 -15.010 -7.781 1.00 0.00 O ATOM 0 H GLY A 186 -21.914 -15.365 -7.595 1.00 0.00 H new ATOM 0 HA2 GLY A 186 -24.184 -16.895 -8.753 1.00 0.00 H new ATOM 0 HA3 GLY A 186 -23.426 -17.282 -7.222 1.00 0.00 H new ATOM 37 N SER A 187 -24.340 -15.240 -5.912 1.00 0.00 N ATOM 38 CA SER A 187 -25.171 -14.340 -5.121 1.00 0.00 C ATOM 39 C SER A 187 -24.309 -13.358 -4.333 1.00 0.00 C ATOM 40 O SER A 187 -23.428 -13.760 -3.572 1.00 0.00 O ATOM 41 CB SER A 187 -26.059 -15.139 -4.165 1.00 0.00 C ATOM 42 OG SER A 187 -26.971 -14.291 -3.488 1.00 0.00 O ATOM 0 H SER A 187 -23.549 -15.638 -5.406 1.00 0.00 H new ATOM 0 HA SER A 187 -25.804 -13.774 -5.805 1.00 0.00 H new ATOM 0 HB2 SER A 187 -26.608 -15.898 -4.722 1.00 0.00 H new ATOM 0 HB3 SER A 187 -25.438 -15.664 -3.439 1.00 0.00 H new ATOM 0 HG SER A 187 -27.528 -14.825 -2.884 1.00 0.00 H new ATOM 48 N SER A 188 -24.571 -12.068 -4.520 1.00 0.00 N ATOM 49 CA SER A 188 -23.818 -11.028 -3.830 1.00 0.00 C ATOM 50 C SER A 188 -24.092 -11.063 -2.329 1.00 0.00 C ATOM 51 O SER A 188 -25.170 -11.464 -1.893 1.00 0.00 O ATOM 52 CB SER A 188 -24.177 -9.651 -4.392 1.00 0.00 C ATOM 53 OG SER A 188 -23.457 -9.383 -5.583 1.00 0.00 O ATOM 0 H SER A 188 -25.299 -11.719 -5.143 1.00 0.00 H new ATOM 0 HA SER A 188 -22.757 -11.215 -3.993 1.00 0.00 H new ATOM 0 HB2 SER A 188 -25.247 -9.604 -4.592 1.00 0.00 H new ATOM 0 HB3 SER A 188 -23.957 -8.883 -3.650 1.00 0.00 H new ATOM 0 HG SER A 188 -23.705 -8.498 -5.923 1.00 0.00 H new ATOM 59 N GLY A 189 -23.106 -10.641 -1.544 1.00 0.00 N ATOM 60 CA GLY A 189 -23.259 -10.633 -0.100 1.00 0.00 C ATOM 61 C GLY A 189 -22.291 -11.573 0.591 1.00 0.00 C ATOM 62 O GLY A 189 -22.683 -12.636 1.073 1.00 0.00 O ATOM 0 H GLY A 189 -22.204 -10.305 -1.881 1.00 0.00 H new ATOM 0 HA2 GLY A 189 -23.106 -9.620 0.273 1.00 0.00 H new ATOM 0 HA3 GLY A 189 -24.280 -10.916 0.156 1.00 0.00 H new ATOM 66 N LYS A 190 -21.022 -11.183 0.638 1.00 0.00 N ATOM 67 CA LYS A 190 -19.994 -11.998 1.274 1.00 0.00 C ATOM 68 C LYS A 190 -19.561 -11.388 2.603 1.00 0.00 C ATOM 69 O LYS A 190 -19.707 -10.185 2.822 1.00 0.00 O ATOM 70 CB LYS A 190 -18.783 -12.143 0.349 1.00 0.00 C ATOM 71 CG LYS A 190 -19.081 -12.911 -0.927 1.00 0.00 C ATOM 72 CD LYS A 190 -19.630 -11.999 -2.012 1.00 0.00 C ATOM 73 CE LYS A 190 -18.514 -11.271 -2.746 1.00 0.00 C ATOM 74 NZ LYS A 190 -17.694 -12.202 -3.571 1.00 0.00 N ATOM 0 H LYS A 190 -20.681 -10.307 0.243 1.00 0.00 H new ATOM 0 HA LYS A 190 -20.416 -12.984 1.467 1.00 0.00 H new ATOM 0 HB2 LYS A 190 -18.415 -11.151 0.088 1.00 0.00 H new ATOM 0 HB3 LYS A 190 -17.982 -12.649 0.889 1.00 0.00 H new ATOM 0 HG2 LYS A 190 -18.171 -13.394 -1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 190 -19.801 -13.702 -0.717 1.00 0.00 H new ATOM 0 HD2 LYS A 190 -20.212 -12.586 -2.723 1.00 0.00 H new ATOM 0 HD3 LYS A 190 -20.310 -11.272 -1.568 1.00 0.00 H new ATOM 0 HE2 LYS A 190 -18.943 -10.500 -3.386 1.00 0.00 H new ATOM 0 HE3 LYS A 190 -17.873 -10.765 -2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 190 -17.183 -11.663 -4.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 190 -17.011 -12.696 -2.962 1.00 0.00 H new ATOM 0 HZ3 LYS A 190 -18.315 -12.899 -4.030 1.00 0.00 H new ATOM 88 N ARG A 191 -19.027 -12.225 3.487 1.00 0.00 N ATOM 89 CA ARG A 191 -18.573 -11.767 4.795 1.00 0.00 C ATOM 90 C ARG A 191 -17.351 -10.863 4.660 1.00 0.00 C ATOM 91 O ARG A 191 -16.783 -10.725 3.576 1.00 0.00 O ATOM 92 CB ARG A 191 -18.241 -12.962 5.690 1.00 0.00 C ATOM 93 CG ARG A 191 -19.468 -13.684 6.222 1.00 0.00 C ATOM 94 CD ARG A 191 -20.189 -12.857 7.275 1.00 0.00 C ATOM 95 NE ARG A 191 -21.265 -13.606 7.917 1.00 0.00 N ATOM 96 CZ ARG A 191 -21.762 -13.301 9.111 1.00 0.00 C ATOM 97 NH1 ARG A 191 -21.283 -12.266 9.787 1.00 0.00 N ATOM 98 NH2 ARG A 191 -22.742 -14.031 9.629 1.00 0.00 N ATOM 0 H ARG A 191 -18.898 -13.223 3.321 1.00 0.00 H new ATOM 0 HA ARG A 191 -19.379 -11.193 5.252 1.00 0.00 H new ATOM 0 HB2 ARG A 191 -17.630 -13.668 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 191 -17.639 -12.619 6.531 1.00 0.00 H new ATOM 0 HG2 ARG A 191 -20.149 -13.901 5.399 1.00 0.00 H new ATOM 0 HG3 ARG A 191 -19.171 -14.641 6.650 1.00 0.00 H new ATOM 0 HD2 ARG A 191 -19.475 -12.529 8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 191 -20.598 -11.959 6.813 1.00 0.00 H new ATOM 0 HE ARG A 191 -21.657 -14.407 7.422 1.00 0.00 H new ATOM 0 HH11 ARG A 191 -20.531 -11.702 9.391 1.00 0.00 H new ATOM 0 HH12 ARG A 191 -21.666 -12.034 10.703 1.00 0.00 H new ATOM 0 HH21 ARG A 191 -23.114 -14.827 9.111 1.00 0.00 H new ATOM 0 HH22 ARG A 191 -23.123 -13.796 10.546 1.00 0.00 H new ATOM 112 N THR A 192 -16.950 -10.249 5.769 1.00 0.00 N ATOM 113 CA THR A 192 -15.797 -9.357 5.775 1.00 0.00 C ATOM 114 C THR A 192 -14.948 -9.565 7.024 1.00 0.00 C ATOM 115 O THR A 192 -15.476 -9.722 8.125 1.00 0.00 O ATOM 116 CB THR A 192 -16.229 -7.880 5.701 1.00 0.00 C ATOM 117 OG1 THR A 192 -17.153 -7.587 6.755 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.869 -7.570 4.357 1.00 0.00 C ATOM 0 H THR A 192 -17.407 -10.353 6.675 1.00 0.00 H new ATOM 0 HA THR A 192 -15.205 -9.599 4.892 1.00 0.00 H new ATOM 0 HB THR A 192 -15.341 -7.258 5.814 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.422 -6.646 6.702 1.00 0.00 H new ATOM 0 HG21 THR A 192 -17.166 -6.522 4.329 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.153 -7.766 3.559 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.748 -8.200 4.219 1.00 0.00 H new ATOM 126 N GLN A 193 -13.631 -9.563 6.846 1.00 0.00 N ATOM 127 CA GLN A 193 -12.710 -9.752 7.960 1.00 0.00 C ATOM 128 C GLN A 193 -11.955 -8.462 8.266 1.00 0.00 C ATOM 129 O GLN A 193 -11.055 -8.052 7.533 1.00 0.00 O ATOM 130 CB GLN A 193 -11.719 -10.874 7.645 1.00 0.00 C ATOM 131 CG GLN A 193 -12.377 -12.231 7.454 1.00 0.00 C ATOM 132 CD GLN A 193 -12.703 -12.912 8.769 1.00 0.00 C ATOM 133 OE1 GLN A 193 -13.451 -12.378 9.589 1.00 0.00 O ATOM 134 NE2 GLN A 193 -12.144 -14.098 8.976 1.00 0.00 N ATOM 0 H GLN A 193 -13.178 -9.433 5.941 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.293 -10.028 8.839 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.167 -10.617 6.741 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -10.992 -10.943 8.454 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.293 -12.108 6.876 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -11.716 -12.872 6.871 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -11.530 -14.503 8.269 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -12.328 -14.604 9.842 1.00 0.00 H new ATOM 143 N PRO A 194 -12.329 -7.806 9.374 1.00 0.00 N ATOM 144 CA PRO A 194 -11.700 -6.553 9.803 1.00 0.00 C ATOM 145 C PRO A 194 -10.270 -6.760 10.290 1.00 0.00 C ATOM 146 O PRO A 194 -10.044 -7.164 11.431 1.00 0.00 O ATOM 147 CB PRO A 194 -12.594 -6.083 10.953 1.00 0.00 C ATOM 148 CG PRO A 194 -13.220 -7.328 11.480 1.00 0.00 C ATOM 149 CD PRO A 194 -13.395 -8.237 10.295 1.00 0.00 C ATOM 0 HA PRO A 194 -11.621 -5.836 8.986 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -12.014 -5.575 11.723 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -13.348 -5.377 10.605 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -12.588 -7.792 12.238 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -14.179 -7.113 11.952 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -13.286 -9.285 10.573 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -14.382 -8.127 9.846 1.00 0.00 H new ATOM 157 N CYS A 195 -9.307 -6.479 9.418 1.00 0.00 N ATOM 158 CA CYS A 195 -7.898 -6.634 9.759 1.00 0.00 C ATOM 159 C CYS A 195 -7.561 -5.873 11.038 1.00 0.00 C ATOM 160 O CYS A 195 -8.075 -4.780 11.278 1.00 0.00 O ATOM 161 CB CYS A 195 -7.017 -6.139 8.611 1.00 0.00 C ATOM 162 SG CYS A 195 -5.236 -6.430 8.861 1.00 0.00 S ATOM 0 H CYS A 195 -9.477 -6.143 8.470 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.705 -7.694 9.926 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.329 -6.631 7.690 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -7.184 -5.071 8.474 1.00 0.00 H new ATOM 167 N THR A 196 -6.693 -6.459 11.858 1.00 0.00 N ATOM 168 CA THR A 196 -6.287 -5.838 13.112 1.00 0.00 C ATOM 169 C THR A 196 -5.071 -4.941 12.914 1.00 0.00 C ATOM 170 O THR A 196 -4.799 -4.058 13.728 1.00 0.00 O ATOM 171 CB THR A 196 -5.962 -6.896 14.183 1.00 0.00 C ATOM 172 OG1 THR A 196 -7.132 -7.664 14.485 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.440 -6.239 15.452 1.00 0.00 C ATOM 0 H THR A 196 -6.258 -7.363 11.675 1.00 0.00 H new ATOM 0 HA THR A 196 -7.128 -5.234 13.452 1.00 0.00 H new ATOM 0 HB THR A 196 -5.188 -7.554 13.788 1.00 0.00 H new ATOM 0 HG1 THR A 196 -6.916 -8.335 15.165 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.217 -7.006 16.194 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.533 -5.679 15.225 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.196 -5.560 15.848 1.00 0.00 H new ATOM 181 N TYR A 197 -4.342 -5.173 11.828 1.00 0.00 N ATOM 182 CA TYR A 197 -3.152 -4.386 11.523 1.00 0.00 C ATOM 183 C TYR A 197 -3.532 -3.015 10.973 1.00 0.00 C ATOM 184 O TYR A 197 -3.265 -1.987 11.597 1.00 0.00 O ATOM 185 CB TYR A 197 -2.270 -5.126 10.516 1.00 0.00 C ATOM 186 CG TYR A 197 -1.437 -6.226 11.134 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.039 -7.334 11.719 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.050 -6.158 11.133 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.282 -8.341 12.286 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.715 -7.162 11.696 1.00 0.00 C ATOM 191 CZ TYR A 197 0.094 -8.251 12.271 1.00 0.00 C ATOM 192 OH TYR A 197 0.853 -9.252 12.833 1.00 0.00 O ATOM 0 H TYR A 197 -4.554 -5.899 11.144 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.594 -4.244 12.449 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.902 -5.554 9.738 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.608 -4.409 10.030 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.116 -7.409 11.730 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.439 -5.306 10.685 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -1.765 -9.194 12.739 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.793 -7.094 11.686 1.00 0.00 H new ATOM 0 HH TYR A 197 1.804 -9.035 12.737 1.00 0.00 H new ATOM 202 N CYS A 198 -4.157 -3.007 9.801 1.00 0.00 N ATOM 203 CA CYS A 198 -4.575 -1.764 9.164 1.00 0.00 C ATOM 204 C CYS A 198 -5.924 -1.301 9.708 1.00 0.00 C ATOM 205 O CYS A 198 -6.431 -0.246 9.327 1.00 0.00 O ATOM 206 CB CYS A 198 -4.660 -1.947 7.648 1.00 0.00 C ATOM 207 SG CYS A 198 -5.871 -3.200 7.116 1.00 0.00 S ATOM 0 H CYS A 198 -4.386 -3.849 9.272 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.830 -1.001 9.390 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.918 -0.991 7.191 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.676 -2.225 7.271 1.00 0.00 H new ATOM 212 N THR A 199 -6.500 -2.098 10.603 1.00 0.00 N ATOM 213 CA THR A 199 -7.789 -1.771 11.199 1.00 0.00 C ATOM 214 C THR A 199 -8.814 -1.409 10.130 1.00 0.00 C ATOM 215 O THR A 199 -9.646 -0.523 10.327 1.00 0.00 O ATOM 216 CB THR A 199 -7.668 -0.601 12.194 1.00 0.00 C ATOM 217 OG1 THR A 199 -7.242 0.582 11.510 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.681 -0.935 13.303 1.00 0.00 C ATOM 0 H THR A 199 -6.094 -2.974 10.931 1.00 0.00 H new ATOM 0 HA THR A 199 -8.124 -2.660 11.733 1.00 0.00 H new ATOM 0 HB THR A 199 -8.648 -0.429 12.640 1.00 0.00 H new ATOM 0 HG1 THR A 199 -7.220 0.412 10.545 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.612 -0.095 13.994 1.00 0.00 H new ATOM 0 HG22 THR A 199 -7.023 -1.819 13.841 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.700 -1.131 12.870 1.00 0.00 H new ATOM 226 N LYS A 200 -8.749 -2.101 8.997 1.00 0.00 N ATOM 227 CA LYS A 200 -9.672 -1.854 7.896 1.00 0.00 C ATOM 228 C LYS A 200 -10.685 -2.988 7.772 1.00 0.00 C ATOM 229 O LYS A 200 -10.719 -3.896 8.601 1.00 0.00 O ATOM 230 CB LYS A 200 -8.902 -1.698 6.583 1.00 0.00 C ATOM 231 CG LYS A 200 -7.955 -0.510 6.571 1.00 0.00 C ATOM 232 CD LYS A 200 -7.309 -0.326 5.208 1.00 0.00 C ATOM 233 CE LYS A 200 -8.243 0.386 4.240 1.00 0.00 C ATOM 234 NZ LYS A 200 -8.328 1.845 4.523 1.00 0.00 N ATOM 0 H LYS A 200 -8.066 -2.837 8.818 1.00 0.00 H new ATOM 0 HA LYS A 200 -10.210 -0.930 8.106 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -8.332 -2.608 6.395 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.614 -1.593 5.764 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.501 0.394 6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -7.181 -0.653 7.325 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -6.388 0.247 5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -7.033 -1.299 4.800 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -7.893 0.234 3.219 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -9.238 -0.055 4.305 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -8.848 2.318 3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -8.826 1.996 5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -7.369 2.243 4.587 1.00 0.00 H new ATOM 248 N GLU A 201 -11.508 -2.928 6.729 1.00 0.00 N ATOM 249 CA GLU A 201 -12.521 -3.951 6.497 1.00 0.00 C ATOM 250 C GLU A 201 -12.463 -4.458 5.059 1.00 0.00 C ATOM 251 O GLU A 201 -12.760 -3.723 4.117 1.00 0.00 O ATOM 252 CB GLU A 201 -13.915 -3.397 6.798 1.00 0.00 C ATOM 253 CG GLU A 201 -14.057 -2.837 8.203 1.00 0.00 C ATOM 254 CD GLU A 201 -14.567 -3.866 9.193 1.00 0.00 C ATOM 255 OE1 GLU A 201 -14.624 -5.060 8.832 1.00 0.00 O ATOM 256 OE2 GLU A 201 -14.909 -3.476 10.329 1.00 0.00 O ATOM 0 H GLU A 201 -11.493 -2.183 6.033 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.317 -4.786 7.167 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -14.148 -2.613 6.078 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.650 -4.189 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -13.091 -2.462 8.540 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -14.739 -1.987 8.184 1.00 0.00 H new ATOM 263 N PHE A 202 -12.077 -5.720 4.897 1.00 0.00 N ATOM 264 CA PHE A 202 -11.978 -6.325 3.575 1.00 0.00 C ATOM 265 C PHE A 202 -12.872 -7.558 3.473 1.00 0.00 C ATOM 266 O PHE A 202 -13.519 -7.952 4.443 1.00 0.00 O ATOM 267 CB PHE A 202 -10.528 -6.708 3.273 1.00 0.00 C ATOM 268 CG PHE A 202 -9.624 -5.524 3.079 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.681 -4.775 1.915 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.717 -5.159 4.062 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.850 -3.686 1.734 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.884 -4.071 3.887 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.951 -3.332 2.722 1.00 0.00 C ATOM 0 H PHE A 202 -11.828 -6.343 5.665 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.314 -5.592 2.842 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.144 -7.318 4.090 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.503 -7.325 2.375 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.383 -5.045 1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.661 -5.732 4.976 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.903 -3.112 0.821 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.181 -3.798 4.660 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.302 -2.480 2.584 1.00 0.00 H new ATOM 283 N VAL A 203 -12.904 -8.162 2.289 1.00 0.00 N ATOM 284 CA VAL A 203 -13.718 -9.350 2.059 1.00 0.00 C ATOM 285 C VAL A 203 -13.025 -10.601 2.585 1.00 0.00 C ATOM 286 O VAL A 203 -11.901 -10.914 2.191 1.00 0.00 O ATOM 287 CB VAL A 203 -14.025 -9.537 0.561 1.00 0.00 C ATOM 288 CG1 VAL A 203 -14.879 -10.778 0.342 1.00 0.00 C ATOM 289 CG2 VAL A 203 -14.712 -8.302 -0.001 1.00 0.00 C ATOM 0 H VAL A 203 -12.376 -7.848 1.475 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.653 -9.203 2.599 1.00 0.00 H new ATOM 0 HB VAL A 203 -13.083 -9.674 0.030 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -15.086 -10.894 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -14.345 -11.656 0.706 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -15.818 -10.674 0.885 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -14.921 -8.452 -1.060 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.647 -8.131 0.533 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -14.061 -7.436 0.121 1.00 0.00 H new ATOM 299 N PHE A 204 -13.703 -11.315 3.478 1.00 0.00 N ATOM 300 CA PHE A 204 -13.152 -12.534 4.059 1.00 0.00 C ATOM 301 C PHE A 204 -12.405 -13.349 3.008 1.00 0.00 C ATOM 302 O PHE A 204 -11.492 -14.109 3.330 1.00 0.00 O ATOM 303 CB PHE A 204 -14.268 -13.378 4.678 1.00 0.00 C ATOM 304 CG PHE A 204 -14.788 -14.448 3.761 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.690 -14.139 2.755 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.376 -15.763 3.904 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.170 -15.121 1.909 1.00 0.00 C ATOM 308 CE2 PHE A 204 -14.852 -16.749 3.061 1.00 0.00 C ATOM 309 CZ PHE A 204 -15.752 -16.428 2.063 1.00 0.00 C ATOM 0 H PHE A 204 -14.634 -11.071 3.815 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.446 -12.248 4.839 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.897 -13.842 5.592 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -15.092 -12.724 4.964 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.022 -13.119 2.631 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.674 -16.021 4.684 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -16.871 -14.866 1.128 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -14.521 -17.770 3.182 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.128 -17.198 1.405 1.00 0.00 H new ATOM 319 N ASP A 205 -12.800 -13.184 1.750 1.00 0.00 N ATOM 320 CA ASP A 205 -12.168 -13.904 0.650 1.00 0.00 C ATOM 321 C ASP A 205 -10.861 -13.232 0.241 1.00 0.00 C ATOM 322 O ASP A 205 -9.871 -13.902 -0.054 1.00 0.00 O ATOM 323 CB ASP A 205 -13.115 -13.979 -0.549 1.00 0.00 C ATOM 324 CG ASP A 205 -12.759 -15.106 -1.498 1.00 0.00 C ATOM 325 OD1 ASP A 205 -11.935 -14.877 -2.408 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.306 -16.217 -1.332 1.00 0.00 O ATOM 0 H ASP A 205 -13.554 -12.559 1.467 1.00 0.00 H new ATOM 0 HA ASP A 205 -11.945 -14.915 0.990 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.136 -14.116 -0.194 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.090 -13.032 -1.088 1.00 0.00 H new ATOM 331 N THR A 206 -10.865 -11.903 0.223 1.00 0.00 N ATOM 332 CA THR A 206 -9.681 -11.140 -0.152 1.00 0.00 C ATOM 333 C THR A 206 -8.695 -11.051 1.007 1.00 0.00 C ATOM 334 O THR A 206 -7.498 -11.282 0.834 1.00 0.00 O ATOM 335 CB THR A 206 -10.052 -9.715 -0.607 1.00 0.00 C ATOM 336 OG1 THR A 206 -10.707 -9.016 0.458 1.00 0.00 O ATOM 337 CG2 THR A 206 -10.959 -9.756 -1.827 1.00 0.00 C ATOM 0 H THR A 206 -11.675 -11.332 0.464 1.00 0.00 H new ATOM 0 HA THR A 206 -9.214 -11.669 -0.983 1.00 0.00 H new ATOM 0 HB THR A 206 -9.134 -9.192 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 206 -11.192 -9.656 1.019 1.00 0.00 H new ATOM 0 HG21 THR A 206 -11.208 -8.739 -2.130 1.00 0.00 H new ATOM 0 HG22 THR A 206 -10.447 -10.263 -2.645 1.00 0.00 H new ATOM 0 HG23 THR A 206 -11.874 -10.295 -1.582 1.00 0.00 H new ATOM 345 N ILE A 207 -9.204 -10.715 2.187 1.00 0.00 N ATOM 346 CA ILE A 207 -8.367 -10.597 3.374 1.00 0.00 C ATOM 347 C ILE A 207 -7.239 -11.623 3.355 1.00 0.00 C ATOM 348 O ILE A 207 -6.149 -11.370 3.868 1.00 0.00 O ATOM 349 CB ILE A 207 -9.189 -10.779 4.664 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.320 -10.503 5.892 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.773 -12.183 4.726 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.355 -9.061 6.346 1.00 0.00 C ATOM 0 H ILE A 207 -10.192 -10.520 2.347 1.00 0.00 H new ATOM 0 HA ILE A 207 -7.943 -9.593 3.362 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.012 -10.064 4.657 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -8.650 -11.141 6.711 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.290 -10.780 5.668 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.351 -12.296 5.643 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.422 -12.345 3.865 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.965 -12.914 4.714 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -7.716 -8.939 7.221 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -7.996 -8.418 5.542 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.378 -8.785 6.603 1.00 0.00 H new ATOM 364 N GLN A 208 -7.508 -12.780 2.759 1.00 0.00 N ATOM 365 CA GLN A 208 -6.515 -13.844 2.672 1.00 0.00 C ATOM 366 C GLN A 208 -5.214 -13.326 2.067 1.00 0.00 C ATOM 367 O GLN A 208 -4.142 -13.481 2.651 1.00 0.00 O ATOM 368 CB GLN A 208 -7.053 -15.006 1.836 1.00 0.00 C ATOM 369 CG GLN A 208 -8.069 -15.866 2.572 1.00 0.00 C ATOM 370 CD GLN A 208 -7.474 -16.571 3.775 1.00 0.00 C ATOM 371 OE1 GLN A 208 -6.886 -17.646 3.651 1.00 0.00 O ATOM 372 NE2 GLN A 208 -7.622 -15.968 4.948 1.00 0.00 N ATOM 0 H GLN A 208 -8.405 -13.004 2.329 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.309 -14.198 3.682 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -7.513 -14.609 0.931 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.219 -15.633 1.521 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -8.901 -15.241 2.897 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -8.477 -16.608 1.885 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -8.116 -15.078 5.005 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -7.241 -16.395 5.793 1.00 0.00 H new ATOM 381 N SER A 209 -5.317 -12.711 0.893 1.00 0.00 N ATOM 382 CA SER A 209 -4.149 -12.174 0.206 1.00 0.00 C ATOM 383 C SER A 209 -3.700 -10.862 0.842 1.00 0.00 C ATOM 384 O SER A 209 -2.516 -10.664 1.114 1.00 0.00 O ATOM 385 CB SER A 209 -4.457 -11.957 -1.276 1.00 0.00 C ATOM 386 OG SER A 209 -3.292 -12.110 -2.068 1.00 0.00 O ATOM 0 H SER A 209 -6.198 -12.572 0.398 1.00 0.00 H new ATOM 0 HA SER A 209 -3.339 -12.898 0.299 1.00 0.00 H new ATOM 0 HB2 SER A 209 -5.217 -12.668 -1.600 1.00 0.00 H new ATOM 0 HB3 SER A 209 -4.871 -10.959 -1.422 1.00 0.00 H new ATOM 0 HG SER A 209 -3.517 -11.968 -3.011 1.00 0.00 H new ATOM 392 N HIS A 210 -4.656 -9.968 1.076 1.00 0.00 N ATOM 393 CA HIS A 210 -4.361 -8.674 1.681 1.00 0.00 C ATOM 394 C HIS A 210 -3.342 -8.820 2.808 1.00 0.00 C ATOM 395 O HIS A 210 -2.365 -8.075 2.873 1.00 0.00 O ATOM 396 CB HIS A 210 -5.642 -8.033 2.216 1.00 0.00 C ATOM 397 CG HIS A 210 -5.409 -7.086 3.352 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.209 -5.733 3.176 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.346 -7.303 4.687 1.00 0.00 C ATOM 400 CE1 HIS A 210 -5.031 -5.160 4.352 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.110 -6.090 5.286 1.00 0.00 N ATOM 0 H HIS A 210 -5.641 -10.116 0.856 1.00 0.00 H new ATOM 0 HA HIS A 210 -3.935 -8.030 0.911 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.138 -7.499 1.405 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.323 -8.819 2.543 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -5.200 -5.250 2.278 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.460 -8.253 5.188 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.851 -4.109 4.521 1.00 0.00 H new ATOM 409 N GLN A 211 -3.579 -9.784 3.692 1.00 0.00 N ATOM 410 CA GLN A 211 -2.683 -10.026 4.816 1.00 0.00 C ATOM 411 C GLN A 211 -1.236 -9.736 4.431 1.00 0.00 C ATOM 412 O GLN A 211 -0.466 -9.202 5.230 1.00 0.00 O ATOM 413 CB GLN A 211 -2.815 -11.471 5.299 1.00 0.00 C ATOM 414 CG GLN A 211 -3.888 -11.664 6.358 1.00 0.00 C ATOM 415 CD GLN A 211 -4.217 -13.124 6.597 1.00 0.00 C ATOM 416 OE1 GLN A 211 -4.064 -13.634 7.707 1.00 0.00 O ATOM 417 NE2 GLN A 211 -4.672 -13.808 5.553 1.00 0.00 N ATOM 0 H GLN A 211 -4.384 -10.410 3.651 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.966 -9.353 5.625 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -3.039 -12.111 4.446 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.857 -11.800 5.701 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.556 -11.213 7.293 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.792 -11.137 6.054 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.784 -13.346 4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -4.909 -14.795 5.654 1.00 0.00 H new ATOM 426 N TYR A 212 -0.874 -10.090 3.203 1.00 0.00 N ATOM 427 CA TYR A 212 0.482 -9.870 2.713 1.00 0.00 C ATOM 428 C TYR A 212 0.691 -8.410 2.326 1.00 0.00 C ATOM 429 O TYR A 212 1.709 -7.807 2.665 1.00 0.00 O ATOM 430 CB TYR A 212 0.765 -10.774 1.512 1.00 0.00 C ATOM 431 CG TYR A 212 1.346 -12.118 1.889 1.00 0.00 C ATOM 432 CD1 TYR A 212 2.669 -12.235 2.296 1.00 0.00 C ATOM 433 CD2 TYR A 212 0.573 -13.271 1.835 1.00 0.00 C ATOM 434 CE1 TYR A 212 3.205 -13.461 2.641 1.00 0.00 C ATOM 435 CE2 TYR A 212 1.100 -14.501 2.179 1.00 0.00 C ATOM 436 CZ TYR A 212 2.416 -14.591 2.581 1.00 0.00 C ATOM 437 OH TYR A 212 2.945 -15.814 2.923 1.00 0.00 O ATOM 0 H TYR A 212 -1.500 -10.530 2.529 1.00 0.00 H new ATOM 0 HA TYR A 212 1.176 -10.116 3.516 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.161 -10.930 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 212 1.455 -10.265 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 212 3.289 -11.352 2.344 1.00 0.00 H new ATOM 0 HD2 TYR A 212 -0.458 -13.205 1.519 1.00 0.00 H new ATOM 0 HE1 TYR A 212 4.236 -13.534 2.956 1.00 0.00 H new ATOM 0 HE2 TYR A 212 0.485 -15.387 2.133 1.00 0.00 H new ATOM 0 HH TYR A 212 2.258 -16.506 2.827 1.00 0.00 H new ATOM 447 N GLN A 213 -0.281 -7.848 1.615 1.00 0.00 N ATOM 448 CA GLN A 213 -0.205 -6.458 1.182 1.00 0.00 C ATOM 449 C GLN A 213 -0.138 -5.517 2.380 1.00 0.00 C ATOM 450 O GLN A 213 0.693 -4.610 2.425 1.00 0.00 O ATOM 451 CB GLN A 213 -1.410 -6.107 0.309 1.00 0.00 C ATOM 452 CG GLN A 213 -1.367 -6.741 -1.072 1.00 0.00 C ATOM 453 CD GLN A 213 -0.522 -5.950 -2.052 1.00 0.00 C ATOM 454 OE1 GLN A 213 -0.994 -4.990 -2.662 1.00 0.00 O ATOM 455 NE2 GLN A 213 0.735 -6.349 -2.206 1.00 0.00 N ATOM 0 H GLN A 213 -1.130 -8.334 1.327 1.00 0.00 H new ATOM 0 HA GLN A 213 0.706 -6.336 0.597 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.321 -6.424 0.817 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.466 -5.024 0.201 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -0.970 -7.753 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -2.382 -6.827 -1.460 1.00 0.00 H new ATOM 0 HE21 GLN A 213 1.084 -7.150 -1.680 1.00 0.00 H new ATOM 0 HE22 GLN A 213 1.352 -5.854 -2.851 1.00 0.00 H new ATOM 464 N CYS A 214 -1.019 -5.738 3.349 1.00 0.00 N ATOM 465 CA CYS A 214 -1.062 -4.910 4.548 1.00 0.00 C ATOM 466 C CYS A 214 0.334 -4.419 4.921 1.00 0.00 C ATOM 467 O CYS A 214 1.229 -5.201 5.241 1.00 0.00 O ATOM 468 CB CYS A 214 -1.667 -5.694 5.714 1.00 0.00 C ATOM 469 SG CYS A 214 -2.347 -4.648 7.041 1.00 0.00 S ATOM 0 H CYS A 214 -1.714 -6.485 3.327 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.689 -4.043 4.338 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.459 -6.338 5.332 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -0.902 -6.345 6.136 1.00 0.00 H new ATOM 474 N PRO A 215 0.525 -3.092 4.878 1.00 0.00 N ATOM 475 CA PRO A 215 1.810 -2.467 5.208 1.00 0.00 C ATOM 476 C PRO A 215 2.137 -2.565 6.694 1.00 0.00 C ATOM 477 O PRO A 215 3.254 -2.918 7.071 1.00 0.00 O ATOM 478 CB PRO A 215 1.607 -1.005 4.801 1.00 0.00 C ATOM 479 CG PRO A 215 0.136 -0.789 4.883 1.00 0.00 C ATOM 480 CD PRO A 215 -0.497 -2.100 4.505 1.00 0.00 C ATOM 0 HA PRO A 215 2.643 -2.954 4.701 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.144 -0.330 5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 215 1.979 -0.819 3.793 1.00 0.00 H new ATOM 0 HG2 PRO A 215 -0.159 -0.489 5.889 1.00 0.00 H new ATOM 0 HG3 PRO A 215 -0.180 0.006 4.208 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.431 -2.265 5.041 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.729 -2.142 3.441 1.00 0.00 H new ATOM 488 N ARG A 216 1.156 -2.251 7.534 1.00 0.00 N ATOM 489 CA ARG A 216 1.341 -2.304 8.979 1.00 0.00 C ATOM 490 C ARG A 216 2.138 -3.541 9.380 1.00 0.00 C ATOM 491 O ARG A 216 2.922 -3.507 10.330 1.00 0.00 O ATOM 492 CB ARG A 216 -0.015 -2.305 9.688 1.00 0.00 C ATOM 493 CG ARG A 216 -0.611 -0.918 9.867 1.00 0.00 C ATOM 494 CD ARG A 216 0.187 -0.093 10.864 1.00 0.00 C ATOM 495 NE ARG A 216 -0.645 0.894 11.547 1.00 0.00 N ATOM 496 CZ ARG A 216 -0.935 2.087 11.040 1.00 0.00 C ATOM 497 NH1 ARG A 216 -0.463 2.439 9.852 1.00 0.00 N ATOM 498 NH2 ARG A 216 -1.699 2.931 11.722 1.00 0.00 N ATOM 0 H ARG A 216 0.225 -1.957 7.239 1.00 0.00 H new ATOM 0 HA ARG A 216 1.901 -1.419 9.281 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.712 -2.920 9.119 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.097 -2.772 10.667 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.636 -0.405 8.906 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.642 -1.005 10.208 1.00 0.00 H new ATOM 0 HD2 ARG A 216 0.642 -0.755 11.600 1.00 0.00 H new ATOM 0 HD3 ARG A 216 1.000 0.415 10.346 1.00 0.00 H new ATOM 0 HE ARG A 216 -1.024 0.654 12.463 1.00 0.00 H new ATOM 0 HH11 ARG A 216 0.124 1.793 9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 216 -0.687 3.356 9.465 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -2.064 2.664 12.636 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -1.921 3.847 11.332 1.00 0.00 H new ATOM 512 N LEU A 217 1.933 -4.632 8.652 1.00 0.00 N ATOM 513 CA LEU A 217 2.633 -5.882 8.931 1.00 0.00 C ATOM 514 C LEU A 217 4.144 -5.674 8.923 1.00 0.00 C ATOM 515 O LEU A 217 4.697 -4.998 8.055 1.00 0.00 O ATOM 516 CB LEU A 217 2.247 -6.946 7.903 1.00 0.00 C ATOM 517 CG LEU A 217 2.808 -8.348 8.146 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.890 -9.138 9.066 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.001 -9.081 6.826 1.00 0.00 C ATOM 0 H LEU A 217 1.288 -4.677 7.863 1.00 0.00 H new ATOM 0 HA LEU A 217 2.337 -6.221 9.924 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.160 -7.012 7.869 1.00 0.00 H new ATOM 0 HB3 LEU A 217 2.577 -6.610 6.920 1.00 0.00 H new ATOM 0 HG LEU A 217 3.779 -8.251 8.631 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.305 -10.133 9.228 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.801 -8.622 10.022 1.00 0.00 H new ATOM 0 HD13 LEU A 217 0.905 -9.226 8.609 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.401 -10.077 7.018 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.043 -9.167 6.314 1.00 0.00 H new ATOM 0 HD23 LEU A 217 3.698 -8.525 6.199 1.00 0.00 H new ATOM 531 N PRO A 218 4.829 -6.269 9.910 1.00 0.00 N ATOM 532 CA PRO A 218 6.286 -6.165 10.037 1.00 0.00 C ATOM 533 C PRO A 218 7.019 -6.926 8.938 1.00 0.00 C ATOM 534 O PRO A 218 6.493 -7.889 8.379 1.00 0.00 O ATOM 535 CB PRO A 218 6.569 -6.796 11.403 1.00 0.00 C ATOM 536 CG PRO A 218 5.429 -7.726 11.634 1.00 0.00 C ATOM 537 CD PRO A 218 4.234 -7.089 10.979 1.00 0.00 C ATOM 0 HA PRO A 218 6.630 -5.135 9.948 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.520 -7.328 11.404 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.627 -6.039 12.185 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.633 -8.707 11.204 1.00 0.00 H new ATOM 0 HG3 PRO A 218 5.257 -7.874 12.700 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.549 -7.836 10.578 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.666 -6.481 11.683 1.00 0.00 H new ATOM 545 N VAL A 219 8.236 -6.488 8.632 1.00 0.00 N ATOM 546 CA VAL A 219 9.042 -7.129 7.600 1.00 0.00 C ATOM 547 C VAL A 219 10.524 -7.094 7.958 1.00 0.00 C ATOM 548 O VAL A 219 11.059 -6.048 8.326 1.00 0.00 O ATOM 549 CB VAL A 219 8.840 -6.455 6.230 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.367 -6.443 5.852 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.407 -5.043 6.243 1.00 0.00 C ATOM 0 H VAL A 219 8.685 -5.692 9.084 1.00 0.00 H new ATOM 0 HA VAL A 219 8.711 -8.166 7.539 1.00 0.00 H new ATOM 0 HB VAL A 219 9.378 -7.032 5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.244 -5.963 4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 219 6.996 -7.467 5.800 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.803 -5.891 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.256 -4.581 5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.898 -4.454 7.006 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.473 -5.081 6.465 1.00 0.00 H new ATOM 561 N ALA A 220 11.181 -8.243 7.848 1.00 0.00 N ATOM 562 CA ALA A 220 12.602 -8.343 8.158 1.00 0.00 C ATOM 563 C ALA A 220 13.430 -7.459 7.232 1.00 0.00 C ATOM 564 O ALA A 220 13.202 -7.424 6.022 1.00 0.00 O ATOM 565 CB ALA A 220 13.063 -9.790 8.061 1.00 0.00 C ATOM 0 H ALA A 220 10.752 -9.118 7.547 1.00 0.00 H new ATOM 0 HA ALA A 220 12.751 -7.993 9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.126 -9.850 8.295 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.501 -10.399 8.769 1.00 0.00 H new ATOM 0 HB3 ALA A 220 12.893 -10.159 7.050 1.00 0.00 H new ATOM 571 N CYS A 221 14.391 -6.744 7.807 1.00 0.00 N ATOM 572 CA CYS A 221 15.252 -5.858 7.033 1.00 0.00 C ATOM 573 C CYS A 221 16.013 -6.636 5.964 1.00 0.00 C ATOM 574 O CYS A 221 16.572 -7.703 6.217 1.00 0.00 O ATOM 575 CB CYS A 221 16.239 -5.138 7.956 1.00 0.00 C ATOM 576 SG CYS A 221 17.265 -3.889 7.116 1.00 0.00 S ATOM 0 H CYS A 221 14.593 -6.761 8.807 1.00 0.00 H new ATOM 0 HA CYS A 221 14.621 -5.119 6.539 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.683 -4.655 8.760 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.892 -5.877 8.420 1.00 0.00 H new ATOM 581 N PRO A 222 16.036 -6.090 4.739 1.00 0.00 N ATOM 582 CA PRO A 222 16.726 -6.715 3.607 1.00 0.00 C ATOM 583 C PRO A 222 18.243 -6.677 3.759 1.00 0.00 C ATOM 584 O PRO A 222 18.962 -7.418 3.089 1.00 0.00 O ATOM 585 CB PRO A 222 16.287 -5.866 2.411 1.00 0.00 C ATOM 586 CG PRO A 222 15.944 -4.539 2.995 1.00 0.00 C ATOM 587 CD PRO A 222 15.392 -4.820 4.365 1.00 0.00 C ATOM 0 HA PRO A 222 16.477 -7.772 3.512 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.084 -5.780 1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.430 -6.309 1.904 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.824 -3.899 3.053 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.211 -4.019 2.378 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.636 -4.023 5.068 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.306 -4.910 4.350 1.00 0.00 H new ATOM 595 N ASN A 223 18.723 -5.810 4.645 1.00 0.00 N ATOM 596 CA ASN A 223 20.155 -5.676 4.885 1.00 0.00 C ATOM 597 C ASN A 223 20.591 -6.536 6.067 1.00 0.00 C ATOM 598 O ASN A 223 21.782 -6.655 6.354 1.00 0.00 O ATOM 599 CB ASN A 223 20.515 -4.212 5.144 1.00 0.00 C ATOM 600 CG ASN A 223 20.812 -3.454 3.865 1.00 0.00 C ATOM 601 OD1 ASN A 223 21.516 -3.951 2.986 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.276 -2.244 3.756 1.00 0.00 N ATOM 0 H ASN A 223 18.141 -5.190 5.208 1.00 0.00 H new ATOM 0 HA ASN A 223 20.681 -6.020 3.995 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.692 -3.726 5.668 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.384 -4.165 5.801 1.00 0.00 H new ATOM 0 HD21 ASN A 223 20.442 -1.686 2.918 1.00 0.00 H new ATOM 0 HD22 ASN A 223 19.699 -1.872 4.510 1.00 0.00 H new ATOM 609 N GLN A 224 19.619 -7.134 6.747 1.00 0.00 N ATOM 610 CA GLN A 224 19.903 -7.983 7.898 1.00 0.00 C ATOM 611 C GLN A 224 20.850 -7.286 8.869 1.00 0.00 C ATOM 612 O GLN A 224 21.870 -7.848 9.269 1.00 0.00 O ATOM 613 CB GLN A 224 20.508 -9.312 7.442 1.00 0.00 C ATOM 614 CG GLN A 224 19.472 -10.337 7.011 1.00 0.00 C ATOM 615 CD GLN A 224 19.010 -10.134 5.581 1.00 0.00 C ATOM 616 OE1 GLN A 224 18.474 -9.082 5.233 1.00 0.00 O ATOM 617 NE2 GLN A 224 19.216 -11.143 4.743 1.00 0.00 N ATOM 0 H GLN A 224 18.628 -7.047 6.521 1.00 0.00 H new ATOM 0 HA GLN A 224 18.963 -8.178 8.414 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.189 -9.125 6.612 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.103 -9.729 8.255 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.891 -11.338 7.115 1.00 0.00 H new ATOM 0 HG3 GLN A 224 18.612 -10.281 7.678 1.00 0.00 H new ATOM 0 HE21 GLN A 224 19.664 -11.997 5.074 1.00 0.00 H new ATOM 0 HE22 GLN A 224 18.926 -11.064 3.768 1.00 0.00 H new ATOM 626 N CYS A 225 20.507 -6.058 9.243 1.00 0.00 N ATOM 627 CA CYS A 225 21.326 -5.282 10.166 1.00 0.00 C ATOM 628 C CYS A 225 21.179 -5.802 11.593 1.00 0.00 C ATOM 629 O CYS A 225 22.168 -6.021 12.291 1.00 0.00 O ATOM 630 CB CYS A 225 20.937 -3.804 10.108 1.00 0.00 C ATOM 631 SG CYS A 225 19.173 -3.486 10.435 1.00 0.00 S ATOM 0 H CYS A 225 19.666 -5.579 8.921 1.00 0.00 H new ATOM 0 HA CYS A 225 22.368 -5.388 9.864 1.00 0.00 H new ATOM 0 HB2 CYS A 225 21.535 -3.253 10.834 1.00 0.00 H new ATOM 0 HB3 CYS A 225 21.190 -3.411 9.123 1.00 0.00 H new ATOM 636 N GLY A 226 19.935 -5.999 12.020 1.00 0.00 N ATOM 637 CA GLY A 226 19.680 -6.492 13.361 1.00 0.00 C ATOM 638 C GLY A 226 18.311 -6.093 13.875 1.00 0.00 C ATOM 639 O GLY A 226 17.704 -6.812 14.669 1.00 0.00 O ATOM 0 H GLY A 226 19.100 -5.826 11.461 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.764 -7.579 13.367 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.444 -6.109 14.037 1.00 0.00 H new ATOM 643 N VAL A 227 17.824 -4.942 13.424 1.00 0.00 N ATOM 644 CA VAL A 227 16.518 -4.447 13.844 1.00 0.00 C ATOM 645 C VAL A 227 15.512 -5.587 13.964 1.00 0.00 C ATOM 646 O VAL A 227 14.553 -5.504 14.730 1.00 0.00 O ATOM 647 CB VAL A 227 15.972 -3.397 12.858 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.971 -3.945 11.440 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.576 -2.956 13.270 1.00 0.00 C ATOM 0 H VAL A 227 18.314 -4.334 12.768 1.00 0.00 H new ATOM 0 HA VAL A 227 16.654 -3.981 14.820 1.00 0.00 H new ATOM 0 HB VAL A 227 16.626 -2.525 12.883 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.582 -3.189 10.758 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.989 -4.206 11.150 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.341 -4.834 11.394 1.00 0.00 H new ATOM 0 HG21 VAL A 227 14.205 -2.214 12.563 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.909 -3.818 13.275 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.612 -2.519 14.268 1.00 0.00 H new ATOM 659 N GLY A 228 15.738 -6.652 13.201 1.00 0.00 N ATOM 660 CA GLY A 228 14.843 -7.793 13.237 1.00 0.00 C ATOM 661 C GLY A 228 13.617 -7.596 12.368 1.00 0.00 C ATOM 662 O GLY A 228 13.582 -8.037 11.219 1.00 0.00 O ATOM 0 H GLY A 228 16.525 -6.745 12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.380 -8.682 12.906 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.530 -7.973 14.266 1.00 0.00 H new ATOM 666 N THR A 229 12.604 -6.933 12.918 1.00 0.00 N ATOM 667 CA THR A 229 11.369 -6.680 12.187 1.00 0.00 C ATOM 668 C THR A 229 10.942 -5.222 12.314 1.00 0.00 C ATOM 669 O THR A 229 11.148 -4.593 13.352 1.00 0.00 O ATOM 670 CB THR A 229 10.226 -7.583 12.687 1.00 0.00 C ATOM 671 OG1 THR A 229 10.149 -7.530 14.116 1.00 0.00 O ATOM 672 CG2 THR A 229 10.436 -9.022 12.238 1.00 0.00 C ATOM 0 H THR A 229 12.615 -6.562 13.868 1.00 0.00 H new ATOM 0 HA THR A 229 11.570 -6.906 11.140 1.00 0.00 H new ATOM 0 HB THR A 229 9.292 -7.219 12.259 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.419 -8.105 14.426 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.616 -9.640 12.603 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.464 -9.063 11.149 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.378 -9.395 12.640 1.00 0.00 H new ATOM 680 N VAL A 230 10.347 -4.690 11.252 1.00 0.00 N ATOM 681 CA VAL A 230 9.889 -3.305 11.246 1.00 0.00 C ATOM 682 C VAL A 230 8.805 -3.089 10.196 1.00 0.00 C ATOM 683 O VAL A 230 8.972 -3.456 9.033 1.00 0.00 O ATOM 684 CB VAL A 230 11.052 -2.331 10.976 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.654 -2.587 9.603 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.579 -0.891 11.100 1.00 0.00 C ATOM 0 H VAL A 230 10.170 -5.196 10.384 1.00 0.00 H new ATOM 0 HA VAL A 230 9.478 -3.103 12.235 1.00 0.00 H new ATOM 0 HB VAL A 230 11.827 -2.500 11.723 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.474 -1.890 9.429 1.00 0.00 H new ATOM 0 HG12 VAL A 230 12.030 -3.609 9.555 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.890 -2.446 8.839 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.413 -0.216 10.906 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.786 -0.705 10.376 1.00 0.00 H new ATOM 0 HG23 VAL A 230 10.199 -0.718 12.107 1.00 0.00 H new ATOM 696 N ALA A 231 7.695 -2.492 10.614 1.00 0.00 N ATOM 697 CA ALA A 231 6.584 -2.224 9.709 1.00 0.00 C ATOM 698 C ALA A 231 7.085 -1.878 8.312 1.00 0.00 C ATOM 699 O ALA A 231 8.119 -1.228 8.156 1.00 0.00 O ATOM 700 CB ALA A 231 5.718 -1.099 10.255 1.00 0.00 C ATOM 0 H ALA A 231 7.540 -2.184 11.574 1.00 0.00 H new ATOM 0 HA ALA A 231 5.981 -3.129 9.636 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.892 -0.910 9.569 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.322 -1.385 11.229 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.318 -0.195 10.358 1.00 0.00 H new ATOM 706 N ARG A 232 6.347 -2.318 7.297 1.00 0.00 N ATOM 707 CA ARG A 232 6.718 -2.056 5.912 1.00 0.00 C ATOM 708 C ARG A 232 6.720 -0.558 5.624 1.00 0.00 C ATOM 709 O ARG A 232 7.640 -0.039 4.992 1.00 0.00 O ATOM 710 CB ARG A 232 5.756 -2.769 4.960 1.00 0.00 C ATOM 711 CG ARG A 232 6.074 -2.543 3.491 1.00 0.00 C ATOM 712 CD ARG A 232 5.480 -1.237 2.986 1.00 0.00 C ATOM 713 NE ARG A 232 5.355 -1.220 1.532 1.00 0.00 N ATOM 714 CZ ARG A 232 4.838 -0.203 0.851 1.00 0.00 C ATOM 715 NH1 ARG A 232 4.401 0.874 1.491 1.00 0.00 N ATOM 716 NH2 ARG A 232 4.757 -0.261 -0.472 1.00 0.00 N ATOM 0 H ARG A 232 5.489 -2.858 7.409 1.00 0.00 H new ATOM 0 HA ARG A 232 7.726 -2.440 5.753 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.779 -3.839 5.168 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.740 -2.427 5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 232 7.155 -2.531 3.349 1.00 0.00 H new ATOM 0 HG3 ARG A 232 5.684 -3.373 2.902 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.499 -1.087 3.436 1.00 0.00 H new ATOM 0 HD3 ARG A 232 6.108 -0.405 3.306 1.00 0.00 H new ATOM 0 HE ARG A 232 5.682 -2.033 1.010 1.00 0.00 H new ATOM 0 HH11 ARG A 232 4.462 0.923 2.508 1.00 0.00 H new ATOM 0 HH12 ARG A 232 4.005 1.653 0.966 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.092 -1.087 -0.968 1.00 0.00 H new ATOM 0 HH22 ARG A 232 4.360 0.521 -0.993 1.00 0.00 H new ATOM 730 N GLU A 233 5.683 0.131 6.090 1.00 0.00 N ATOM 731 CA GLU A 233 5.565 1.569 5.881 1.00 0.00 C ATOM 732 C GLU A 233 6.603 2.326 6.704 1.00 0.00 C ATOM 733 O GLU A 233 6.697 3.551 6.629 1.00 0.00 O ATOM 734 CB GLU A 233 4.159 2.047 6.249 1.00 0.00 C ATOM 735 CG GLU A 233 3.856 1.959 7.736 1.00 0.00 C ATOM 736 CD GLU A 233 2.506 2.550 8.092 1.00 0.00 C ATOM 737 OE1 GLU A 233 2.043 3.454 7.366 1.00 0.00 O ATOM 738 OE2 GLU A 233 1.912 2.107 9.098 1.00 0.00 O ATOM 0 H GLU A 233 4.913 -0.284 6.615 1.00 0.00 H new ATOM 0 HA GLU A 233 5.745 1.772 4.825 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.039 3.080 5.923 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.427 1.452 5.702 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.885 0.915 8.048 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.635 2.480 8.293 1.00 0.00 H new ATOM 745 N ASP A 234 7.380 1.587 7.488 1.00 0.00 N ATOM 746 CA ASP A 234 8.412 2.187 8.326 1.00 0.00 C ATOM 747 C ASP A 234 9.800 1.730 7.888 1.00 0.00 C ATOM 748 O ASP A 234 10.812 2.290 8.312 1.00 0.00 O ATOM 749 CB ASP A 234 8.182 1.826 9.794 1.00 0.00 C ATOM 750 CG ASP A 234 7.134 2.705 10.449 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.199 3.138 9.744 1.00 0.00 O ATOM 752 OD2 ASP A 234 7.250 2.960 11.666 1.00 0.00 O ATOM 0 H ASP A 234 7.315 0.572 7.561 1.00 0.00 H new ATOM 0 HA ASP A 234 8.353 3.270 8.214 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.873 0.783 9.865 1.00 0.00 H new ATOM 0 HB3 ASP A 234 9.121 1.918 10.339 1.00 0.00 H new ATOM 757 N LEU A 235 9.841 0.709 7.040 1.00 0.00 N ATOM 758 CA LEU A 235 11.105 0.175 6.545 1.00 0.00 C ATOM 759 C LEU A 235 11.913 1.257 5.835 1.00 0.00 C ATOM 760 O LEU A 235 13.125 1.377 6.011 1.00 0.00 O ATOM 761 CB LEU A 235 10.850 -0.995 5.593 1.00 0.00 C ATOM 762 CG LEU A 235 12.002 -1.986 5.423 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.313 -2.674 6.743 1.00 0.00 C ATOM 764 CD2 LEU A 235 11.669 -3.012 4.350 1.00 0.00 C ATOM 0 H LEU A 235 9.013 0.234 6.680 1.00 0.00 H new ATOM 0 HA LEU A 235 11.680 -0.180 7.400 1.00 0.00 H new ATOM 0 HB2 LEU A 235 9.976 -1.542 5.947 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.597 -0.591 4.613 1.00 0.00 H new ATOM 0 HG LEU A 235 12.887 -1.434 5.107 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.135 -3.376 6.603 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.596 -1.927 7.485 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.431 -3.213 7.089 1.00 0.00 H new ATOM 0 HD21 LEU A 235 12.500 -3.709 4.243 1.00 0.00 H new ATOM 0 HD22 LEU A 235 10.771 -3.559 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 235 11.497 -2.504 3.401 1.00 0.00 H new ATOM 776 N PRO A 236 11.226 2.066 5.015 1.00 0.00 N ATOM 777 CA PRO A 236 11.859 3.155 4.264 1.00 0.00 C ATOM 778 C PRO A 236 12.764 4.013 5.140 1.00 0.00 C ATOM 779 O PRO A 236 13.980 4.039 4.955 1.00 0.00 O ATOM 780 CB PRO A 236 10.669 3.975 3.759 1.00 0.00 C ATOM 781 CG PRO A 236 9.541 3.004 3.691 1.00 0.00 C ATOM 782 CD PRO A 236 9.778 1.981 4.758 1.00 0.00 C ATOM 0 HA PRO A 236 12.505 2.781 3.469 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.441 4.800 4.435 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.875 4.411 2.782 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.588 3.509 3.846 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.496 2.533 2.709 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.199 2.199 5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.489 0.984 4.427 1.00 0.00 H new ATOM 790 N GLY A 237 12.163 4.715 6.097 1.00 0.00 N ATOM 791 CA GLY A 237 12.932 5.564 6.988 1.00 0.00 C ATOM 792 C GLY A 237 14.036 4.809 7.700 1.00 0.00 C ATOM 793 O GLY A 237 15.101 5.364 7.973 1.00 0.00 O ATOM 0 H GLY A 237 11.158 4.711 6.271 1.00 0.00 H new ATOM 0 HA2 GLY A 237 13.367 6.384 6.417 1.00 0.00 H new ATOM 0 HA3 GLY A 237 12.265 6.008 7.727 1.00 0.00 H new ATOM 797 N HIS A 238 13.782 3.540 8.005 1.00 0.00 N ATOM 798 CA HIS A 238 14.763 2.708 8.692 1.00 0.00 C ATOM 799 C HIS A 238 15.985 2.468 7.810 1.00 0.00 C ATOM 800 O HIS A 238 17.122 2.661 8.241 1.00 0.00 O ATOM 801 CB HIS A 238 14.138 1.371 9.092 1.00 0.00 C ATOM 802 CG HIS A 238 15.146 0.319 9.438 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.701 0.193 10.694 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.697 -0.662 8.685 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.551 -0.818 10.698 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.567 -1.354 9.491 1.00 0.00 N ATOM 0 H HIS A 238 12.905 3.066 7.787 1.00 0.00 H new ATOM 0 HA HIS A 238 15.083 3.234 9.591 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.481 1.528 9.947 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.515 1.011 8.273 1.00 0.00 H new ATOM 0 HD1 HIS A 238 15.488 0.788 11.495 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.491 -0.863 7.644 1.00 0.00 H new ATOM 0 HE1 HIS A 238 17.134 -1.150 11.544 1.00 0.00 H new ATOM 814 N LEU A 239 15.743 2.046 6.574 1.00 0.00 N ATOM 815 CA LEU A 239 16.823 1.780 5.631 1.00 0.00 C ATOM 816 C LEU A 239 17.537 3.070 5.240 1.00 0.00 C ATOM 817 O LEU A 239 18.708 3.055 4.861 1.00 0.00 O ATOM 818 CB LEU A 239 16.277 1.088 4.381 1.00 0.00 C ATOM 819 CG LEU A 239 15.772 -0.343 4.572 1.00 0.00 C ATOM 820 CD1 LEU A 239 14.735 -0.689 3.515 1.00 0.00 C ATOM 821 CD2 LEU A 239 16.932 -1.328 4.527 1.00 0.00 C ATOM 0 H LEU A 239 14.808 1.881 6.201 1.00 0.00 H new ATOM 0 HA LEU A 239 17.542 1.122 6.119 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.460 1.690 3.984 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.061 1.077 3.624 1.00 0.00 H new ATOM 0 HG LEU A 239 15.299 -0.413 5.552 1.00 0.00 H new ATOM 0 HD11 LEU A 239 14.387 -1.711 3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 239 13.892 -0.003 3.595 1.00 0.00 H new ATOM 0 HD13 LEU A 239 15.182 -0.601 2.525 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.554 -2.341 4.665 1.00 0.00 H new ATOM 0 HD22 LEU A 239 17.434 -1.256 3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.640 -1.093 5.322 1.00 0.00 H new ATOM 833 N LYS A 240 16.824 4.187 5.338 1.00 0.00 N ATOM 834 CA LYS A 240 17.388 5.488 5.000 1.00 0.00 C ATOM 835 C LYS A 240 18.648 5.763 5.814 1.00 0.00 C ATOM 836 O LYS A 240 19.750 5.822 5.269 1.00 0.00 O ATOM 837 CB LYS A 240 16.358 6.593 5.244 1.00 0.00 C ATOM 838 CG LYS A 240 15.460 6.863 4.050 1.00 0.00 C ATOM 839 CD LYS A 240 16.195 7.624 2.960 1.00 0.00 C ATOM 840 CE LYS A 240 15.352 7.747 1.700 1.00 0.00 C ATOM 841 NZ LYS A 240 16.044 8.537 0.644 1.00 0.00 N ATOM 0 H LYS A 240 15.853 4.217 5.649 1.00 0.00 H new ATOM 0 HA LYS A 240 17.655 5.477 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.739 6.319 6.098 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.880 7.512 5.510 1.00 0.00 H new ATOM 0 HG2 LYS A 240 15.091 5.918 3.650 1.00 0.00 H new ATOM 0 HG3 LYS A 240 14.589 7.435 4.371 1.00 0.00 H new ATOM 0 HD2 LYS A 240 16.457 8.618 3.322 1.00 0.00 H new ATOM 0 HD3 LYS A 240 17.129 7.114 2.725 1.00 0.00 H new ATOM 0 HE2 LYS A 240 15.123 6.752 1.318 1.00 0.00 H new ATOM 0 HE3 LYS A 240 14.401 8.221 1.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 15.437 8.598 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 16.240 9.495 0.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 16.939 8.071 0.392 1.00 0.00 H new ATOM 855 N ASP A 241 18.478 5.929 7.121 1.00 0.00 N ATOM 856 CA ASP A 241 19.602 6.195 8.011 1.00 0.00 C ATOM 857 C ASP A 241 19.515 5.336 9.268 1.00 0.00 C ATOM 858 O ASP A 241 20.534 4.940 9.833 1.00 0.00 O ATOM 859 CB ASP A 241 19.638 7.676 8.393 1.00 0.00 C ATOM 860 CG ASP A 241 18.408 8.105 9.169 1.00 0.00 C ATOM 861 OD1 ASP A 241 17.292 8.001 8.617 1.00 0.00 O ATOM 862 OD2 ASP A 241 18.561 8.543 10.328 1.00 0.00 O ATOM 0 H ASP A 241 17.572 5.884 7.588 1.00 0.00 H new ATOM 0 HA ASP A 241 20.520 5.941 7.482 1.00 0.00 H new ATOM 0 HB2 ASP A 241 20.528 7.872 8.991 1.00 0.00 H new ATOM 0 HB3 ASP A 241 19.722 8.279 7.489 1.00 0.00 H new ATOM 867 N SER A 242 18.291 5.050 9.701 1.00 0.00 N ATOM 868 CA SER A 242 18.071 4.241 10.894 1.00 0.00 C ATOM 869 C SER A 242 18.280 2.761 10.592 1.00 0.00 C ATOM 870 O SER A 242 17.479 1.914 10.992 1.00 0.00 O ATOM 871 CB SER A 242 16.659 4.469 11.437 1.00 0.00 C ATOM 872 OG SER A 242 16.629 5.561 12.339 1.00 0.00 O ATOM 0 H SER A 242 17.436 5.367 9.243 1.00 0.00 H new ATOM 0 HA SER A 242 18.796 4.545 11.649 1.00 0.00 H new ATOM 0 HB2 SER A 242 15.974 4.658 10.610 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.310 3.568 11.941 1.00 0.00 H new ATOM 0 HG SER A 242 15.715 5.687 12.670 1.00 0.00 H new ATOM 878 N CYS A 243 19.361 2.454 9.884 1.00 0.00 N ATOM 879 CA CYS A 243 19.678 1.077 9.527 1.00 0.00 C ATOM 880 C CYS A 243 21.180 0.897 9.331 1.00 0.00 C ATOM 881 O CYS A 243 21.747 1.357 8.341 1.00 0.00 O ATOM 882 CB CYS A 243 18.934 0.675 8.251 1.00 0.00 C ATOM 883 SG CYS A 243 19.452 -0.930 7.563 1.00 0.00 S ATOM 0 H CYS A 243 20.034 3.142 9.545 1.00 0.00 H new ATOM 0 HA CYS A 243 19.357 0.433 10.346 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.865 0.640 8.462 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.085 1.447 7.497 1.00 0.00 H new ATOM 888 N ASN A 244 21.819 0.223 10.282 1.00 0.00 N ATOM 889 CA ASN A 244 23.256 -0.018 10.215 1.00 0.00 C ATOM 890 C ASN A 244 23.696 -0.286 8.779 1.00 0.00 C ATOM 891 O ASN A 244 23.649 -1.421 8.304 1.00 0.00 O ATOM 892 CB ASN A 244 23.638 -1.201 11.107 1.00 0.00 C ATOM 893 CG ASN A 244 23.265 -0.975 12.559 1.00 0.00 C ATOM 894 OD1 ASN A 244 24.079 -0.506 13.355 1.00 0.00 O ATOM 895 ND2 ASN A 244 22.028 -1.308 12.911 1.00 0.00 N ATOM 0 H ASN A 244 21.364 -0.166 11.108 1.00 0.00 H new ATOM 0 HA ASN A 244 23.766 0.877 10.572 1.00 0.00 H new ATOM 0 HB2 ASN A 244 23.143 -2.101 10.743 1.00 0.00 H new ATOM 0 HB3 ASN A 244 24.711 -1.376 11.034 1.00 0.00 H new ATOM 0 HD21 ASN A 244 21.719 -1.178 13.875 1.00 0.00 H new ATOM 0 HD22 ASN A 244 21.387 -1.694 12.218 1.00 0.00 H new ATOM 902 N THR A 245 24.125 0.768 8.090 1.00 0.00 N ATOM 903 CA THR A 245 24.573 0.647 6.709 1.00 0.00 C ATOM 904 C THR A 245 25.698 1.630 6.408 1.00 0.00 C ATOM 905 O THR A 245 25.612 2.810 6.749 1.00 0.00 O ATOM 906 CB THR A 245 23.417 0.889 5.720 1.00 0.00 C ATOM 907 OG1 THR A 245 22.735 2.104 6.052 1.00 0.00 O ATOM 908 CG2 THR A 245 22.434 -0.271 5.742 1.00 0.00 C ATOM 0 H THR A 245 24.171 1.715 8.467 1.00 0.00 H new ATOM 0 HA THR A 245 24.941 -0.371 6.584 1.00 0.00 H new ATOM 0 HB THR A 245 23.837 0.970 4.717 1.00 0.00 H new ATOM 0 HG1 THR A 245 22.112 1.938 6.790 1.00 0.00 H new ATOM 0 HG21 THR A 245 21.627 -0.077 5.036 1.00 0.00 H new ATOM 0 HG22 THR A 245 22.949 -1.190 5.461 1.00 0.00 H new ATOM 0 HG23 THR A 245 22.021 -0.379 6.745 1.00 0.00 H new ATOM 916 N ALA A 246 26.753 1.137 5.767 1.00 0.00 N ATOM 917 CA ALA A 246 27.894 1.974 5.418 1.00 0.00 C ATOM 918 C ALA A 246 28.074 2.053 3.906 1.00 0.00 C ATOM 919 O ALA A 246 28.745 1.213 3.305 1.00 0.00 O ATOM 920 CB ALA A 246 29.159 1.442 6.075 1.00 0.00 C ATOM 0 H ALA A 246 26.841 0.162 5.479 1.00 0.00 H new ATOM 0 HA ALA A 246 27.702 2.981 5.788 1.00 0.00 H new ATOM 0 HB1 ALA A 246 30.003 2.077 5.806 1.00 0.00 H new ATOM 0 HB2 ALA A 246 29.035 1.443 7.158 1.00 0.00 H new ATOM 0 HB3 ALA A 246 29.346 0.424 5.733 1.00 0.00 H new ATOM 926 N LEU A 247 27.471 3.067 3.295 1.00 0.00 N ATOM 927 CA LEU A 247 27.564 3.256 1.852 1.00 0.00 C ATOM 928 C LEU A 247 28.733 4.170 1.497 1.00 0.00 C ATOM 929 O LEU A 247 29.080 5.075 2.255 1.00 0.00 O ATOM 930 CB LEU A 247 26.260 3.844 1.309 1.00 0.00 C ATOM 931 CG LEU A 247 25.933 3.519 -0.149 1.00 0.00 C ATOM 932 CD1 LEU A 247 25.670 2.031 -0.319 1.00 0.00 C ATOM 933 CD2 LEU A 247 24.736 4.332 -0.621 1.00 0.00 C ATOM 0 H LEU A 247 26.912 3.771 3.777 1.00 0.00 H new ATOM 0 HA LEU A 247 27.735 2.282 1.393 1.00 0.00 H new ATOM 0 HB2 LEU A 247 25.438 3.491 1.932 1.00 0.00 H new ATOM 0 HB3 LEU A 247 26.300 4.928 1.419 1.00 0.00 H new ATOM 0 HG LEU A 247 26.793 3.787 -0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 247 25.439 1.819 -1.363 1.00 0.00 H new ATOM 0 HD12 LEU A 247 26.555 1.469 -0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 247 24.827 1.737 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 247 24.518 4.088 -1.661 1.00 0.00 H new ATOM 0 HD22 LEU A 247 23.870 4.096 -0.003 1.00 0.00 H new ATOM 0 HD23 LEU A 247 24.962 5.395 -0.538 1.00 0.00 H new ATOM 945 N VAL A 248 29.335 3.927 0.337 1.00 0.00 N ATOM 946 CA VAL A 248 30.463 4.730 -0.121 1.00 0.00 C ATOM 947 C VAL A 248 30.194 5.318 -1.502 1.00 0.00 C ATOM 948 O VAL A 248 29.268 4.901 -2.196 1.00 0.00 O ATOM 949 CB VAL A 248 31.759 3.899 -0.173 1.00 0.00 C ATOM 950 CG1 VAL A 248 32.907 4.734 -0.718 1.00 0.00 C ATOM 951 CG2 VAL A 248 32.095 3.351 1.206 1.00 0.00 C ATOM 0 H VAL A 248 29.061 3.181 -0.302 1.00 0.00 H new ATOM 0 HA VAL A 248 30.588 5.540 0.598 1.00 0.00 H new ATOM 0 HB VAL A 248 31.603 3.056 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 248 33.814 4.130 -0.747 1.00 0.00 H new ATOM 0 HG12 VAL A 248 32.664 5.073 -1.725 1.00 0.00 H new ATOM 0 HG13 VAL A 248 33.067 5.598 -0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 248 33.013 2.766 1.151 1.00 0.00 H new ATOM 0 HG22 VAL A 248 32.232 4.178 1.903 1.00 0.00 H new ATOM 0 HG23 VAL A 248 31.280 2.715 1.553 1.00 0.00 H new TER 961 VAL A 248 HETATM 962 ZN ZN A 300 -4.554 -5.144 7.016 1.00 0.00 ZN HETATM 963 ZN ZN A 400 18.142 -2.434 8.737 1.00 0.00 ZN