USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 375 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 221 CYS SG : rot 70:sc= -0.466 USER MOD Set 1.2: A 223 ASN : amide:sc= -1.02 X(o=-12,f=-12) USER MOD Set 1.3: A 225 CYS SG : rot -81:sc= -3.42! USER MOD Set 1.4: A 238 HIS : no HD1:sc= -6.17 K(o=-12,f=-14!) USER MOD Set 1.5: A 243 CYS SG : rot 117:sc= -0.71 USER MOD Set 2.1: A 195 CYS SG : rot 154:sc= 0.133 USER MOD Set 2.2: A 198 CYS SG : rot -57:sc= -2.31 USER MOD Set 2.3: A 210 HIS : no HE2:sc= -0.494 K(o=-2.4,f=-4.5) USER MOD Set 2.4: A 214 CYS SG : rot 157:sc= 0.304 USER MOD Single : A 192 THR OG1 : rot -30:sc= 0.0874 USER MOD Single : A 193 GLN :FLIP amide:sc= -0.352 F(o=-1.1,f=-0.35) 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 15:sc= 0.577 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -35:sc= 0.302 USER MOD Single : A 208 GLN : amide:sc= -0.365 X(o=-0.37,f=-0.37) 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= -0.228 X(o=-0.23,f=-0.23) USER MOD Single : A 224 GLN : amide:sc= 0 X(o=0,f=0) 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 -170:sc= -0.805 USER MOD ----------------------------------------------------------------- ATOM 112 N THR A 192 -17.166 -9.489 6.696 1.00 0.00 N ATOM 113 CA THR A 192 -15.908 -8.778 6.506 1.00 0.00 C ATOM 114 C THR A 192 -14.944 -9.050 7.656 1.00 0.00 C ATOM 115 O THR A 192 -15.365 -9.309 8.782 1.00 0.00 O ATOM 116 CB THR A 192 -16.133 -7.259 6.389 1.00 0.00 C ATOM 117 OG1 THR A 192 -16.823 -6.775 7.547 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.934 -6.925 5.140 1.00 0.00 C ATOM 0 HA THR A 192 -15.474 -9.146 5.576 1.00 0.00 H new ATOM 0 HB THR A 192 -15.159 -6.775 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.405 -7.480 7.900 1.00 0.00 H new ATOM 0 HG21 THR A 192 -17.080 -5.847 5.079 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.393 -7.268 4.258 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.904 -7.421 5.186 1.00 0.00 H new ATOM 126 N GLN A 193 -13.649 -8.989 7.363 1.00 0.00 N ATOM 127 CA GLN A 193 -12.625 -9.229 8.373 1.00 0.00 C ATOM 128 C GLN A 193 -11.753 -7.993 8.569 1.00 0.00 C ATOM 129 O GLN A 193 -10.947 -7.630 7.712 1.00 0.00 O ATOM 130 CB GLN A 193 -11.757 -10.424 7.976 1.00 0.00 C ATOM 131 CG GLN A 193 -10.756 -10.831 9.046 1.00 0.00 C ATOM 132 CD GLN A 193 -9.958 -12.060 8.660 1.00 0.00 C ATOM 133 OE1 GLN A 193 -8.652 -11.889 8.491 1.00 0.00 O flip ATOM 134 NE2 GLN A 193 -10.508 -13.152 8.515 1.00 0.00 N flip ATOM 0 H GLN A 193 -13.284 -8.775 6.435 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.125 -9.451 9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -12.403 -11.273 7.752 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -11.219 -10.183 7.059 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -10.073 -10.003 9.233 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -11.285 -11.024 9.979 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -11.515 -13.239 8.655 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -9.957 -13.970 8.255 1.00 0.00 H new ATOM 143 N PRO A 194 -11.915 -7.330 9.724 1.00 0.00 N ATOM 144 CA PRO A 194 -11.151 -6.125 10.059 1.00 0.00 C ATOM 145 C PRO A 194 -9.680 -6.427 10.326 1.00 0.00 C ATOM 146 O PRO A 194 -9.322 -6.924 11.394 1.00 0.00 O ATOM 147 CB PRO A 194 -11.832 -5.616 11.331 1.00 0.00 C ATOM 148 CG PRO A 194 -12.450 -6.826 11.941 1.00 0.00 C ATOM 149 CD PRO A 194 -12.857 -7.706 10.791 1.00 0.00 C ATOM 0 HA PRO A 194 -11.149 -5.403 9.242 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.112 -5.155 12.008 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.584 -4.860 11.102 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -11.743 -7.338 12.594 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.312 -6.558 12.552 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -12.775 -8.763 11.045 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -13.891 -7.528 10.495 1.00 0.00 H new ATOM 157 N CYS A 195 -8.832 -6.124 9.349 1.00 0.00 N ATOM 158 CA CYS A 195 -7.400 -6.363 9.477 1.00 0.00 C ATOM 159 C CYS A 195 -6.855 -5.729 10.754 1.00 0.00 C ATOM 160 O CYS A 195 -6.946 -4.516 10.946 1.00 0.00 O ATOM 161 CB CYS A 195 -6.657 -5.806 8.261 1.00 0.00 C ATOM 162 SG CYS A 195 -4.992 -6.506 8.022 1.00 0.00 S ATOM 0 H CYS A 195 -9.112 -5.712 8.459 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.240 -7.440 9.529 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.251 -5.996 7.367 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.573 -4.724 8.364 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.667 -6.433 6.766 1.00 0.00 H new ATOM 167 N THR A 196 -6.288 -6.558 11.625 1.00 0.00 N ATOM 168 CA THR A 196 -5.730 -6.080 12.883 1.00 0.00 C ATOM 169 C THR A 196 -4.428 -5.320 12.654 1.00 0.00 C ATOM 170 O THR A 196 -3.778 -4.882 13.603 1.00 0.00 O ATOM 171 CB THR A 196 -5.468 -7.242 13.859 1.00 0.00 C ATOM 172 OG1 THR A 196 -6.641 -8.054 13.980 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.065 -6.718 15.230 1.00 0.00 C ATOM 0 H THR A 196 -6.203 -7.564 11.482 1.00 0.00 H new ATOM 0 HA THR A 196 -6.468 -5.407 13.320 1.00 0.00 H new ATOM 0 HB THR A 196 -4.650 -7.843 13.462 1.00 0.00 H new ATOM 0 HG1 THR A 196 -6.466 -8.792 14.601 1.00 0.00 H new ATOM 0 HG21 THR A 196 -4.885 -7.557 15.902 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.155 -6.124 15.140 1.00 0.00 H new ATOM 0 HG23 THR A 196 -5.865 -6.097 15.632 1.00 0.00 H new ATOM 181 N TYR A 197 -4.053 -5.168 11.389 1.00 0.00 N ATOM 182 CA TYR A 197 -2.827 -4.462 11.035 1.00 0.00 C ATOM 183 C TYR A 197 -3.131 -3.044 10.564 1.00 0.00 C ATOM 184 O TYR A 197 -2.737 -2.067 11.202 1.00 0.00 O ATOM 185 CB TYR A 197 -2.073 -5.223 9.943 1.00 0.00 C ATOM 186 CG TYR A 197 -1.426 -6.500 10.431 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.183 -7.504 11.021 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.057 -6.701 10.303 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.596 -8.671 11.470 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.538 -7.866 10.747 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.235 -8.848 11.330 1.00 0.00 C ATOM 192 OH TYR A 197 0.354 -10.009 11.775 1.00 0.00 O ATOM 0 H TYR A 197 -4.580 -5.524 10.592 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.202 -4.403 11.926 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.764 -5.462 9.135 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.305 -4.574 9.524 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.249 -7.370 11.131 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.552 -5.934 9.849 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -2.199 -9.441 11.928 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.603 -8.007 10.638 1.00 0.00 H new ATOM 0 HH TYR A 197 1.318 -9.975 11.600 1.00 0.00 H new ATOM 202 N CYS A 198 -3.836 -2.938 9.443 1.00 0.00 N ATOM 203 CA CYS A 198 -4.195 -1.640 8.884 1.00 0.00 C ATOM 204 C CYS A 198 -5.525 -1.152 9.452 1.00 0.00 C ATOM 205 O CYS A 198 -6.055 -0.125 9.028 1.00 0.00 O ATOM 206 CB CYS A 198 -4.280 -1.724 7.358 1.00 0.00 C ATOM 207 SG CYS A 198 -5.398 -3.025 6.746 1.00 0.00 S ATOM 0 H CYS A 198 -4.170 -3.736 8.903 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.418 -0.927 9.159 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.613 -0.761 6.970 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.281 -1.900 6.958 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.028 -4.176 7.225 1.00 0.00 H new ATOM 212 N THR A 199 -6.060 -1.897 10.414 1.00 0.00 N ATOM 213 CA THR A 199 -7.328 -1.543 11.040 1.00 0.00 C ATOM 214 C THR A 199 -8.368 -1.157 9.995 1.00 0.00 C ATOM 215 O THR A 199 -9.199 -0.278 10.225 1.00 0.00 O ATOM 216 CB THR A 199 -7.157 -0.377 12.033 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.679 0.785 11.346 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.188 -0.750 13.144 1.00 0.00 C ATOM 0 H THR A 199 -5.635 -2.750 10.777 1.00 0.00 H new ATOM 0 HA THR A 199 -7.671 -2.425 11.581 1.00 0.00 H new ATOM 0 HB THR A 199 -8.129 -0.162 12.478 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.787 0.661 10.380 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.083 0.089 13.832 1.00 0.00 H new ATOM 0 HG22 THR A 199 -6.569 -1.617 13.683 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.216 -0.989 12.714 1.00 0.00 H new ATOM 226 N LYS A 200 -8.318 -1.820 8.845 1.00 0.00 N ATOM 227 CA LYS A 200 -9.258 -1.549 7.763 1.00 0.00 C ATOM 228 C LYS A 200 -10.398 -2.561 7.766 1.00 0.00 C ATOM 229 O LYS A 200 -10.496 -3.396 8.665 1.00 0.00 O ATOM 230 CB LYS A 200 -8.537 -1.581 6.414 1.00 0.00 C ATOM 231 CG LYS A 200 -7.673 -0.358 6.156 1.00 0.00 C ATOM 232 CD LYS A 200 -7.126 -0.351 4.738 1.00 0.00 C ATOM 233 CE LYS A 200 -6.599 1.023 4.352 1.00 0.00 C ATOM 234 NZ LYS A 200 -6.167 1.070 2.927 1.00 0.00 N ATOM 0 H LYS A 200 -7.636 -2.550 8.638 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.678 -0.555 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.912 -2.473 6.367 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.277 -1.667 5.618 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.259 0.545 6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.846 -0.339 6.866 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -6.326 -1.086 4.652 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -7.910 -0.650 4.043 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -7.374 1.770 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -5.759 1.284 4.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -5.814 2.022 2.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -5.410 0.375 2.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -6.975 0.846 2.312 1.00 0.00 H new ATOM 248 N GLU A 201 -11.258 -2.481 6.755 1.00 0.00 N ATOM 249 CA GLU A 201 -12.391 -3.392 6.643 1.00 0.00 C ATOM 250 C GLU A 201 -12.479 -3.979 5.237 1.00 0.00 C ATOM 251 O GLU A 201 -12.915 -3.311 4.299 1.00 0.00 O ATOM 252 CB GLU A 201 -13.693 -2.666 6.987 1.00 0.00 C ATOM 253 CG GLU A 201 -13.647 -1.931 8.317 1.00 0.00 C ATOM 254 CD GLU A 201 -14.115 -2.791 9.475 1.00 0.00 C ATOM 255 OE1 GLU A 201 -13.835 -4.008 9.462 1.00 0.00 O ATOM 256 OE2 GLU A 201 -14.760 -2.246 10.395 1.00 0.00 O ATOM 0 H GLU A 201 -11.192 -1.795 6.003 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.241 -4.208 7.350 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.922 -1.953 6.195 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.508 -3.390 7.009 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -12.628 -1.595 8.507 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -14.270 -1.039 8.257 1.00 0.00 H new ATOM 263 N PHE A 202 -12.062 -5.233 5.099 1.00 0.00 N ATOM 264 CA PHE A 202 -12.093 -5.911 3.808 1.00 0.00 C ATOM 265 C PHE A 202 -13.036 -7.110 3.845 1.00 0.00 C ATOM 266 O PHE A 202 -13.599 -7.439 4.890 1.00 0.00 O ATOM 267 CB PHE A 202 -10.686 -6.367 3.415 1.00 0.00 C ATOM 268 CG PHE A 202 -9.713 -5.235 3.250 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.737 -4.444 2.113 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.775 -4.962 4.232 1.00 0.00 C ATOM 271 CE1 PHE A 202 -8.842 -3.402 1.959 1.00 0.00 C ATOM 272 CE2 PHE A 202 -7.877 -3.921 4.084 1.00 0.00 C ATOM 273 CZ PHE A 202 -7.912 -3.140 2.946 1.00 0.00 C ATOM 0 H PHE A 202 -11.699 -5.800 5.865 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.461 -5.205 3.064 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.309 -7.052 4.175 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.742 -6.927 2.481 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.463 -4.644 1.339 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.745 -5.570 5.124 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -8.870 -2.793 1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.150 -3.719 4.857 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.213 -2.325 2.828 1.00 0.00 H new ATOM 283 N VAL A 203 -13.206 -7.758 2.697 1.00 0.00 N ATOM 284 CA VAL A 203 -14.080 -8.920 2.597 1.00 0.00 C ATOM 285 C VAL A 203 -13.362 -10.189 3.044 1.00 0.00 C ATOM 286 O VAL A 203 -12.303 -10.533 2.519 1.00 0.00 O ATOM 287 CB VAL A 203 -14.594 -9.114 1.158 1.00 0.00 C ATOM 288 CG1 VAL A 203 -15.602 -10.251 1.099 1.00 0.00 C ATOM 289 CG2 VAL A 203 -15.203 -7.823 0.632 1.00 0.00 C ATOM 0 H VAL A 203 -12.749 -7.497 1.823 1.00 0.00 H new ATOM 0 HA VAL A 203 -14.928 -8.735 3.256 1.00 0.00 H new ATOM 0 HB VAL A 203 -13.749 -9.377 0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -15.954 -10.373 0.074 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -15.129 -11.175 1.432 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -16.447 -10.022 1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -15.561 -7.978 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -16.037 -7.528 1.269 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -14.448 -7.037 0.635 1.00 0.00 H new ATOM 299 N PHE A 204 -13.946 -10.881 4.016 1.00 0.00 N ATOM 300 CA PHE A 204 -13.362 -12.113 4.535 1.00 0.00 C ATOM 301 C PHE A 204 -12.738 -12.934 3.410 1.00 0.00 C ATOM 302 O PHE A 204 -11.779 -13.675 3.627 1.00 0.00 O ATOM 303 CB PHE A 204 -14.425 -12.942 5.258 1.00 0.00 C ATOM 304 CG PHE A 204 -15.082 -13.970 4.382 1.00 0.00 C ATOM 305 CD1 PHE A 204 -16.186 -13.641 3.613 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.594 -15.266 4.328 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.793 -14.585 2.806 1.00 0.00 C ATOM 308 CE2 PHE A 204 -15.196 -16.214 3.522 1.00 0.00 C ATOM 309 CZ PHE A 204 -16.298 -15.873 2.761 1.00 0.00 C ATOM 0 H PHE A 204 -14.823 -10.610 4.461 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.578 -11.844 5.243 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.966 -13.443 6.111 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -15.189 -12.273 5.655 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.577 -12.635 3.644 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.734 -15.538 4.922 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -17.653 -14.315 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -14.805 -17.220 3.487 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.771 -16.613 2.132 1.00 0.00 H new ATOM 319 N ASP A 205 -13.290 -12.797 2.210 1.00 0.00 N ATOM 320 CA ASP A 205 -12.788 -13.526 1.050 1.00 0.00 C ATOM 321 C ASP A 205 -11.516 -12.880 0.512 1.00 0.00 C ATOM 322 O ASP A 205 -10.560 -13.570 0.154 1.00 0.00 O ATOM 323 CB ASP A 205 -13.853 -13.576 -0.047 1.00 0.00 C ATOM 324 CG ASP A 205 -13.410 -14.389 -1.247 1.00 0.00 C ATOM 325 OD1 ASP A 205 -12.778 -15.448 -1.047 1.00 0.00 O ATOM 326 OD2 ASP A 205 -13.694 -13.966 -2.387 1.00 0.00 O ATOM 0 H ASP A 205 -14.085 -12.188 2.014 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.553 -14.543 1.364 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.769 -14.004 0.360 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -14.089 -12.561 -0.367 1.00 0.00 H new ATOM 331 N THR A 206 -11.510 -11.552 0.455 1.00 0.00 N ATOM 332 CA THR A 206 -10.356 -10.813 -0.042 1.00 0.00 C ATOM 333 C THR A 206 -9.267 -10.715 1.020 1.00 0.00 C ATOM 334 O THR A 206 -8.104 -11.026 0.761 1.00 0.00 O ATOM 335 CB THR A 206 -10.750 -9.393 -0.491 1.00 0.00 C ATOM 336 OG1 THR A 206 -11.251 -8.648 0.624 1.00 0.00 O ATOM 337 CG2 THR A 206 -11.803 -9.444 -1.588 1.00 0.00 C ATOM 0 H THR A 206 -12.292 -10.966 0.747 1.00 0.00 H new ATOM 0 HA THR A 206 -9.973 -11.364 -0.901 1.00 0.00 H new ATOM 0 HB THR A 206 -9.861 -8.901 -0.886 1.00 0.00 H new ATOM 0 HG1 THR A 206 -11.746 -9.247 1.222 1.00 0.00 H new ATOM 0 HG21 THR A 206 -12.065 -8.429 -1.888 1.00 0.00 H new ATOM 0 HG22 THR A 206 -11.408 -9.986 -2.447 1.00 0.00 H new ATOM 0 HG23 THR A 206 -12.692 -9.953 -1.216 1.00 0.00 H new ATOM 345 N ILE A 207 -9.651 -10.280 2.216 1.00 0.00 N ATOM 346 CA ILE A 207 -8.706 -10.143 3.317 1.00 0.00 C ATOM 347 C ILE A 207 -7.621 -11.212 3.247 1.00 0.00 C ATOM 348 O ILE A 207 -6.444 -10.929 3.467 1.00 0.00 O ATOM 349 CB ILE A 207 -9.415 -10.236 4.682 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.493 -9.735 5.795 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.853 -11.667 4.954 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.638 -8.256 6.079 1.00 0.00 C ATOM 0 H ILE A 207 -10.609 -10.017 2.447 1.00 0.00 H new ATOM 0 HA ILE A 207 -8.249 -9.158 3.220 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.302 -9.603 4.658 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -8.701 -10.294 6.707 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.459 -9.945 5.521 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -10.352 -11.717 5.922 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.541 -11.991 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.980 -12.319 4.962 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -7.955 -7.970 6.879 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.401 -7.688 5.179 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.663 -8.043 6.384 1.00 0.00 H new ATOM 364 N GLN A 208 -8.026 -12.439 2.937 1.00 0.00 N ATOM 365 CA GLN A 208 -7.087 -13.550 2.836 1.00 0.00 C ATOM 366 C GLN A 208 -5.847 -13.145 2.045 1.00 0.00 C ATOM 367 O GLN A 208 -4.725 -13.236 2.542 1.00 0.00 O ATOM 368 CB GLN A 208 -7.758 -14.755 2.175 1.00 0.00 C ATOM 369 CG GLN A 208 -8.651 -15.547 3.116 1.00 0.00 C ATOM 370 CD GLN A 208 -7.909 -16.051 4.338 1.00 0.00 C ATOM 371 OE1 GLN A 208 -6.998 -16.872 4.230 1.00 0.00 O ATOM 372 NE2 GLN A 208 -8.296 -15.562 5.510 1.00 0.00 N ATOM 0 H GLN A 208 -8.997 -12.689 2.752 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.778 -13.824 3.845 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -8.352 -14.410 1.328 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.988 -15.416 1.776 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -9.484 -14.920 3.434 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -9.077 -16.395 2.579 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -9.056 -14.883 5.553 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -7.833 -15.865 6.367 1.00 0.00 H new ATOM 381 N SER A 209 -6.059 -12.699 0.811 1.00 0.00 N ATOM 382 CA SER A 209 -4.958 -12.284 -0.051 1.00 0.00 C ATOM 383 C SER A 209 -4.355 -10.969 0.433 1.00 0.00 C ATOM 384 O SER A 209 -3.138 -10.846 0.577 1.00 0.00 O ATOM 385 CB SER A 209 -5.441 -12.136 -1.495 1.00 0.00 C ATOM 386 OG SER A 209 -4.393 -12.394 -2.413 1.00 0.00 O ATOM 0 H SER A 209 -6.982 -12.616 0.386 1.00 0.00 H new ATOM 0 HA SER A 209 -4.187 -13.054 -0.010 1.00 0.00 H new ATOM 0 HB2 SER A 209 -6.266 -12.824 -1.678 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.826 -11.128 -1.651 1.00 0.00 H new ATOM 0 HG SER A 209 -4.728 -12.294 -3.329 1.00 0.00 H new ATOM 392 N HIS A 210 -5.216 -9.987 0.683 1.00 0.00 N ATOM 393 CA HIS A 210 -4.769 -8.680 1.151 1.00 0.00 C ATOM 394 C HIS A 210 -3.649 -8.824 2.177 1.00 0.00 C ATOM 395 O HIS A 210 -2.598 -8.196 2.054 1.00 0.00 O ATOM 396 CB HIS A 210 -5.939 -7.907 1.761 1.00 0.00 C ATOM 397 CG HIS A 210 -5.520 -6.895 2.783 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.069 -5.634 2.453 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.487 -6.963 4.134 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.775 -4.971 3.557 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.021 -5.755 4.592 1.00 0.00 N ATOM 0 H HIS A 210 -6.226 -10.072 0.569 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.384 -8.126 0.295 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.485 -7.402 0.964 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.629 -8.613 2.223 1.00 0.00 H new ATOM 0 HD1 HIS A 210 -4.977 -5.270 1.505 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.774 -7.810 4.740 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.398 -3.960 3.606 1.00 0.00 H new ATOM 409 N GLN A 211 -3.883 -9.654 3.189 1.00 0.00 N ATOM 410 CA GLN A 211 -2.894 -9.879 4.236 1.00 0.00 C ATOM 411 C GLN A 211 -1.478 -9.783 3.678 1.00 0.00 C ATOM 412 O GLN A 211 -0.577 -9.256 4.330 1.00 0.00 O ATOM 413 CB GLN A 211 -3.108 -11.248 4.884 1.00 0.00 C ATOM 414 CG GLN A 211 -4.236 -11.269 5.903 1.00 0.00 C ATOM 415 CD GLN A 211 -4.194 -12.493 6.796 1.00 0.00 C ATOM 416 OE1 GLN A 211 -4.437 -13.613 6.345 1.00 0.00 O ATOM 417 NE2 GLN A 211 -3.883 -12.287 8.070 1.00 0.00 N ATOM 0 H GLN A 211 -4.748 -10.181 3.306 1.00 0.00 H new ATOM 0 HA GLN A 211 -3.020 -9.104 4.992 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -3.320 -11.980 4.105 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -2.184 -11.559 5.371 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -4.180 -10.372 6.520 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -5.192 -11.238 5.381 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -3.689 -11.342 8.401 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.838 -13.074 8.718 1.00 0.00 H new ATOM 426 N TYR A 212 -1.289 -10.297 2.467 1.00 0.00 N ATOM 427 CA TYR A 212 0.018 -10.273 1.822 1.00 0.00 C ATOM 428 C TYR A 212 0.404 -8.850 1.428 1.00 0.00 C ATOM 429 O TYR A 212 1.510 -8.394 1.716 1.00 0.00 O ATOM 430 CB TYR A 212 0.017 -11.174 0.586 1.00 0.00 C ATOM 431 CG TYR A 212 0.137 -12.646 0.909 1.00 0.00 C ATOM 432 CD1 TYR A 212 -0.883 -13.318 1.570 1.00 0.00 C ATOM 433 CD2 TYR A 212 1.272 -13.365 0.553 1.00 0.00 C ATOM 434 CE1 TYR A 212 -0.777 -14.662 1.869 1.00 0.00 C ATOM 435 CE2 TYR A 212 1.386 -14.710 0.846 1.00 0.00 C ATOM 436 CZ TYR A 212 0.359 -15.354 1.504 1.00 0.00 C ATOM 437 OH TYR A 212 0.468 -16.694 1.798 1.00 0.00 O ATOM 0 H TYR A 212 -2.025 -10.735 1.913 1.00 0.00 H new ATOM 0 HA TYR A 212 0.754 -10.646 2.534 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.903 -11.007 0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 212 0.842 -10.885 -0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -1.775 -12.780 1.855 1.00 0.00 H new ATOM 0 HD2 TYR A 212 2.078 -12.864 0.039 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.579 -15.168 2.386 1.00 0.00 H new ATOM 0 HE2 TYR A 212 2.274 -15.254 0.561 1.00 0.00 H new ATOM 0 HH TYR A 212 1.328 -17.032 1.472 1.00 0.00 H new ATOM 447 N GLN A 213 -0.517 -8.155 0.768 1.00 0.00 N ATOM 448 CA GLN A 213 -0.273 -6.784 0.334 1.00 0.00 C ATOM 449 C GLN A 213 -0.121 -5.853 1.532 1.00 0.00 C ATOM 450 O GLN A 213 0.790 -5.025 1.576 1.00 0.00 O ATOM 451 CB GLN A 213 -1.415 -6.300 -0.561 1.00 0.00 C ATOM 452 CG GLN A 213 -1.508 -7.043 -1.884 1.00 0.00 C ATOM 453 CD GLN A 213 -0.174 -7.136 -2.597 1.00 0.00 C ATOM 454 OE1 GLN A 213 0.383 -6.126 -3.030 1.00 0.00 O ATOM 455 NE2 GLN A 213 0.348 -8.350 -2.723 1.00 0.00 N ATOM 0 H GLN A 213 -1.438 -8.518 0.522 1.00 0.00 H new ATOM 0 HA GLN A 213 0.657 -6.769 -0.235 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.358 -6.410 -0.025 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.284 -5.236 -0.760 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -1.891 -8.048 -1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -2.226 -6.538 -2.530 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -0.147 -9.159 -2.349 1.00 0.00 H new ATOM 0 HE22 GLN A 213 1.245 -8.473 -3.193 1.00 0.00 H new ATOM 464 N CYS A 214 -1.017 -5.994 2.503 1.00 0.00 N ATOM 465 CA CYS A 214 -0.984 -5.165 3.702 1.00 0.00 C ATOM 466 C CYS A 214 0.452 -4.804 4.073 1.00 0.00 C ATOM 467 O CYS A 214 1.281 -5.667 4.361 1.00 0.00 O ATOM 468 CB CYS A 214 -1.656 -5.891 4.868 1.00 0.00 C ATOM 469 SG CYS A 214 -2.054 -4.816 6.284 1.00 0.00 S ATOM 0 H CYS A 214 -1.776 -6.675 2.483 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.530 -4.245 3.493 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.574 -6.358 4.511 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -1.002 -6.694 5.208 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.015 -5.350 6.978 1.00 0.00 H new ATOM 474 N PRO A 215 0.753 -3.497 4.067 1.00 0.00 N ATOM 475 CA PRO A 215 2.088 -2.991 4.402 1.00 0.00 C ATOM 476 C PRO A 215 2.418 -3.160 5.881 1.00 0.00 C ATOM 477 O PRO A 215 3.477 -3.679 6.234 1.00 0.00 O ATOM 478 CB PRO A 215 2.005 -1.506 4.039 1.00 0.00 C ATOM 479 CG PRO A 215 0.558 -1.171 4.142 1.00 0.00 C ATOM 480 CD PRO A 215 -0.185 -2.413 3.734 1.00 0.00 C ATOM 0 HA PRO A 215 2.873 -3.531 3.873 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.601 -0.898 4.720 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.383 -1.323 3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.297 -0.876 5.159 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.304 -0.333 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.125 -2.515 4.276 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.429 -2.405 2.672 1.00 0.00 H new ATOM 488 N ARG A 216 1.505 -2.721 6.740 1.00 0.00 N ATOM 489 CA ARG A 216 1.700 -2.823 8.181 1.00 0.00 C ATOM 490 C ARG A 216 2.470 -4.092 8.537 1.00 0.00 C ATOM 491 O ARG A 216 3.307 -4.090 9.441 1.00 0.00 O ATOM 492 CB ARG A 216 0.351 -2.814 8.902 1.00 0.00 C ATOM 493 CG ARG A 216 -0.131 -1.422 9.275 1.00 0.00 C ATOM 494 CD ARG A 216 0.708 -0.822 10.392 1.00 0.00 C ATOM 495 NE ARG A 216 0.420 -1.439 11.684 1.00 0.00 N ATOM 496 CZ ARG A 216 -0.581 -1.061 12.472 1.00 0.00 C ATOM 497 NH1 ARG A 216 -1.385 -0.075 12.101 1.00 0.00 N ATOM 498 NH2 ARG A 216 -0.778 -1.671 13.634 1.00 0.00 N ATOM 0 H ARG A 216 0.622 -2.291 6.463 1.00 0.00 H new ATOM 0 HA ARG A 216 2.283 -1.961 8.505 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.395 -3.289 8.265 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.428 -3.417 9.807 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.089 -0.775 8.399 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.174 -1.469 9.587 1.00 0.00 H new ATOM 0 HD2 ARG A 216 1.765 -0.947 10.158 1.00 0.00 H new ATOM 0 HD3 ARG A 216 0.519 0.250 10.452 1.00 0.00 H new ATOM 0 HE ARG A 216 1.020 -2.202 11.999 1.00 0.00 H new ATOM 0 HH11 ARG A 216 -1.236 0.396 11.209 1.00 0.00 H new ATOM 0 HH12 ARG A 216 -2.153 0.213 12.708 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -0.161 -2.430 13.922 1.00 0.00 H new ATOM 0 HH22 ARG A 216 -1.546 -1.381 14.239 1.00 0.00 H new ATOM 512 N LEU A 217 2.182 -5.173 7.820 1.00 0.00 N ATOM 513 CA LEU A 217 2.847 -6.449 8.060 1.00 0.00 C ATOM 514 C LEU A 217 4.348 -6.254 8.244 1.00 0.00 C ATOM 515 O LEU A 217 5.020 -5.616 7.433 1.00 0.00 O ATOM 516 CB LEU A 217 2.584 -7.409 6.899 1.00 0.00 C ATOM 517 CG LEU A 217 3.054 -8.850 7.100 1.00 0.00 C ATOM 518 CD1 LEU A 217 1.976 -9.673 7.788 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.437 -9.477 5.767 1.00 0.00 C ATOM 0 H LEU A 217 1.493 -5.191 7.068 1.00 0.00 H new ATOM 0 HA LEU A 217 2.440 -6.877 8.976 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.512 -7.422 6.700 1.00 0.00 H new ATOM 0 HB3 LEU A 217 3.069 -7.011 6.008 1.00 0.00 H new ATOM 0 HG LEU A 217 3.936 -8.838 7.740 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.329 -10.695 7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.750 -9.236 8.761 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.075 -9.678 7.175 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.769 -10.502 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.573 -9.476 5.103 1.00 0.00 H new ATOM 0 HD23 LEU A 217 4.244 -8.902 5.313 1.00 0.00 H new ATOM 531 N PRO A 218 4.889 -6.819 9.334 1.00 0.00 N ATOM 532 CA PRO A 218 6.318 -6.724 9.648 1.00 0.00 C ATOM 533 C PRO A 218 7.179 -7.531 8.682 1.00 0.00 C ATOM 534 O PRO A 218 6.826 -8.648 8.305 1.00 0.00 O ATOM 535 CB PRO A 218 6.410 -7.306 11.061 1.00 0.00 C ATOM 536 CG PRO A 218 5.237 -8.217 11.172 1.00 0.00 C ATOM 537 CD PRO A 218 4.148 -7.594 10.343 1.00 0.00 C ATOM 0 HA PRO A 218 6.686 -5.701 9.569 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.346 -7.846 11.207 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.374 -6.521 11.816 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.482 -9.215 10.808 1.00 0.00 H new ATOM 0 HG3 PRO A 218 4.924 -8.325 12.210 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.512 -8.350 9.882 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.500 -6.956 10.944 1.00 0.00 H new ATOM 545 N VAL A 219 8.311 -6.958 8.285 1.00 0.00 N ATOM 546 CA VAL A 219 9.224 -7.625 7.365 1.00 0.00 C ATOM 547 C VAL A 219 10.673 -7.450 7.804 1.00 0.00 C ATOM 548 O VAL A 219 11.132 -6.331 8.033 1.00 0.00 O ATOM 549 CB VAL A 219 9.065 -7.089 5.930 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.654 -7.340 5.418 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.405 -5.607 5.875 1.00 0.00 C ATOM 0 H VAL A 219 8.617 -6.033 8.586 1.00 0.00 H new ATOM 0 HA VAL A 219 8.969 -8.685 7.380 1.00 0.00 H new ATOM 0 HB VAL A 219 9.760 -7.623 5.282 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.561 -6.954 4.403 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.452 -8.411 5.419 1.00 0.00 H new ATOM 0 HG13 VAL A 219 6.937 -6.835 6.065 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.287 -5.244 4.854 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.736 -5.055 6.535 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.436 -5.458 6.196 1.00 0.00 H new ATOM 561 N ALA A 220 11.390 -8.563 7.918 1.00 0.00 N ATOM 562 CA ALA A 220 12.789 -8.532 8.327 1.00 0.00 C ATOM 563 C ALA A 220 13.600 -7.597 7.437 1.00 0.00 C ATOM 564 O ALA A 220 13.487 -7.636 6.212 1.00 0.00 O ATOM 565 CB ALA A 220 13.378 -9.934 8.299 1.00 0.00 C ATOM 0 H ALA A 220 11.025 -9.497 7.733 1.00 0.00 H new ATOM 0 HA ALA A 220 12.836 -8.151 9.347 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.423 -9.896 8.607 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.822 -10.576 8.982 1.00 0.00 H new ATOM 0 HB3 ALA A 220 13.312 -10.336 7.288 1.00 0.00 H new ATOM 571 N CYS A 221 14.419 -6.756 8.061 1.00 0.00 N ATOM 572 CA CYS A 221 15.249 -5.810 7.326 1.00 0.00 C ATOM 573 C CYS A 221 16.206 -6.540 6.387 1.00 0.00 C ATOM 574 O CYS A 221 16.837 -7.532 6.753 1.00 0.00 O ATOM 575 CB CYS A 221 16.041 -4.933 8.297 1.00 0.00 C ATOM 576 SG CYS A 221 17.189 -3.774 7.486 1.00 0.00 S ATOM 0 H CYS A 221 14.525 -6.711 9.074 1.00 0.00 H new ATOM 0 HA CYS A 221 14.593 -5.178 6.728 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.341 -4.365 8.910 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.607 -5.576 8.971 1.00 0.00 H new ATOM 0 HG CYS A 221 16.511 -2.848 6.876 1.00 0.00 H new ATOM 581 N PRO A 222 16.317 -6.039 5.148 1.00 0.00 N ATOM 582 CA PRO A 222 17.194 -6.627 4.132 1.00 0.00 C ATOM 583 C PRO A 222 18.671 -6.422 4.452 1.00 0.00 C ATOM 584 O PRO A 222 19.517 -7.225 4.062 1.00 0.00 O ATOM 585 CB PRO A 222 16.814 -5.872 2.856 1.00 0.00 C ATOM 586 CG PRO A 222 16.271 -4.569 3.333 1.00 0.00 C ATOM 587 CD PRO A 222 15.594 -4.859 4.644 1.00 0.00 C ATOM 0 HA PRO A 222 17.066 -7.707 4.059 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.679 -5.727 2.209 1.00 0.00 H new ATOM 0 HB3 PRO A 222 16.072 -6.422 2.277 1.00 0.00 H new ATOM 0 HG2 PRO A 222 17.068 -3.836 3.459 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.566 -4.153 2.613 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.672 -4.017 5.331 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.532 -5.065 4.511 1.00 0.00 H new ATOM 595 N ASN A 223 18.973 -5.342 5.166 1.00 0.00 N ATOM 596 CA ASN A 223 20.348 -5.033 5.539 1.00 0.00 C ATOM 597 C ASN A 223 20.769 -5.825 6.773 1.00 0.00 C ATOM 598 O ASN A 223 21.936 -5.813 7.161 1.00 0.00 O ATOM 599 CB ASN A 223 20.501 -3.534 5.805 1.00 0.00 C ATOM 600 CG ASN A 223 20.629 -2.730 4.525 1.00 0.00 C ATOM 601 OD1 ASN A 223 21.255 -3.171 3.561 1.00 0.00 O ATOM 602 ND2 ASN A 223 20.034 -1.543 4.510 1.00 0.00 N ATOM 0 H ASN A 223 18.284 -4.667 5.497 1.00 0.00 H new ATOM 0 HA ASN A 223 20.995 -5.317 4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.639 -3.178 6.370 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.381 -3.366 6.426 1.00 0.00 H new ATOM 0 HD21 ASN A 223 20.085 -0.957 3.677 1.00 0.00 H new ATOM 0 HD22 ASN A 223 19.526 -1.217 5.332 1.00 0.00 H new ATOM 609 N GLN A 224 19.809 -6.512 7.384 1.00 0.00 N ATOM 610 CA GLN A 224 20.080 -7.309 8.574 1.00 0.00 C ATOM 611 C GLN A 224 20.878 -6.507 9.597 1.00 0.00 C ATOM 612 O GLN A 224 21.932 -6.945 10.059 1.00 0.00 O ATOM 613 CB GLN A 224 20.842 -8.581 8.199 1.00 0.00 C ATOM 614 CG GLN A 224 20.014 -9.572 7.397 1.00 0.00 C ATOM 615 CD GLN A 224 20.797 -10.813 7.015 1.00 0.00 C ATOM 616 OE1 GLN A 224 21.173 -11.612 7.873 1.00 0.00 O ATOM 617 NE2 GLN A 224 21.048 -10.981 5.722 1.00 0.00 N ATOM 0 H GLN A 224 18.837 -6.533 7.075 1.00 0.00 H new ATOM 0 HA GLN A 224 19.125 -7.584 9.021 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.726 -8.308 7.622 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.193 -9.066 9.110 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.140 -9.864 7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 224 19.648 -9.086 6.493 1.00 0.00 H new ATOM 0 HE21 GLN A 224 20.717 -10.294 5.045 1.00 0.00 H new ATOM 0 HE22 GLN A 224 21.571 -11.797 5.406 1.00 0.00 H new ATOM 626 N CYS A 225 20.370 -5.330 9.945 1.00 0.00 N ATOM 627 CA CYS A 225 21.035 -4.466 10.913 1.00 0.00 C ATOM 628 C CYS A 225 20.899 -5.025 12.326 1.00 0.00 C ATOM 629 O CYS A 225 21.885 -5.165 13.047 1.00 0.00 O ATOM 630 CB CYS A 225 20.450 -3.053 10.852 1.00 0.00 C ATOM 631 SG CYS A 225 18.633 -2.995 10.970 1.00 0.00 S ATOM 0 H CYS A 225 19.499 -4.952 9.571 1.00 0.00 H new ATOM 0 HA CYS A 225 22.094 -4.425 10.659 1.00 0.00 H new ATOM 0 HB2 CYS A 225 20.875 -2.460 11.662 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.758 -2.584 9.918 1.00 0.00 H new ATOM 0 HG CYS A 225 18.114 -3.253 9.806 1.00 0.00 H new ATOM 636 N GLY A 226 19.668 -5.343 12.715 1.00 0.00 N ATOM 637 CA GLY A 226 19.424 -5.883 14.039 1.00 0.00 C ATOM 638 C GLY A 226 18.001 -5.651 14.508 1.00 0.00 C ATOM 639 O GLY A 226 17.423 -6.488 15.200 1.00 0.00 O ATOM 0 H GLY A 226 18.835 -5.236 12.136 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.632 -6.953 14.035 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.115 -5.426 14.747 1.00 0.00 H new ATOM 643 N VAL A 227 17.435 -4.508 14.131 1.00 0.00 N ATOM 644 CA VAL A 227 16.071 -4.168 14.518 1.00 0.00 C ATOM 645 C VAL A 227 15.172 -5.399 14.503 1.00 0.00 C ATOM 646 O VAL A 227 14.192 -5.474 15.244 1.00 0.00 O ATOM 647 CB VAL A 227 15.474 -3.098 13.584 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.541 -3.556 12.135 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.041 -2.781 13.985 1.00 0.00 C ATOM 0 H VAL A 227 17.900 -3.803 13.559 1.00 0.00 H new ATOM 0 HA VAL A 227 16.119 -3.770 15.532 1.00 0.00 H new ATOM 0 HB VAL A 227 16.065 -2.187 13.680 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.115 -2.787 11.490 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.580 -3.729 11.856 1.00 0.00 H new ATOM 0 HG13 VAL A 227 14.976 -4.481 12.019 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.635 -2.023 13.315 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.436 -3.685 13.919 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.024 -2.407 15.009 1.00 0.00 H new ATOM 659 N GLY A 228 15.513 -6.364 13.655 1.00 0.00 N ATOM 660 CA GLY A 228 14.726 -7.580 13.560 1.00 0.00 C ATOM 661 C GLY A 228 13.586 -7.457 12.568 1.00 0.00 C ATOM 662 O GLY A 228 13.763 -7.696 11.373 1.00 0.00 O ATOM 0 H GLY A 228 16.320 -6.326 13.032 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.373 -8.406 13.264 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.324 -7.826 14.543 1.00 0.00 H new ATOM 666 N THR A 229 12.410 -7.085 13.065 1.00 0.00 N ATOM 667 CA THR A 229 11.236 -6.934 12.215 1.00 0.00 C ATOM 668 C THR A 229 10.733 -5.494 12.223 1.00 0.00 C ATOM 669 O THR A 229 10.831 -4.798 13.233 1.00 0.00 O ATOM 670 CB THR A 229 10.094 -7.866 12.663 1.00 0.00 C ATOM 671 OG1 THR A 229 9.840 -7.693 14.061 1.00 0.00 O ATOM 672 CG2 THR A 229 10.442 -9.320 12.382 1.00 0.00 C ATOM 0 H THR A 229 12.246 -6.883 14.051 1.00 0.00 H new ATOM 0 HA THR A 229 11.541 -7.205 11.204 1.00 0.00 H new ATOM 0 HB THR A 229 9.199 -7.606 12.097 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.112 -8.288 14.337 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.621 -9.960 12.706 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.606 -9.455 11.313 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.348 -9.589 12.925 1.00 0.00 H new ATOM 680 N VAL A 230 10.194 -5.054 11.090 1.00 0.00 N ATOM 681 CA VAL A 230 9.674 -3.698 10.967 1.00 0.00 C ATOM 682 C VAL A 230 8.655 -3.600 9.838 1.00 0.00 C ATOM 683 O VAL A 230 8.925 -4.005 8.708 1.00 0.00 O ATOM 684 CB VAL A 230 10.805 -2.684 10.712 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.472 -2.954 9.372 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.269 -1.262 10.773 1.00 0.00 C ATOM 0 H VAL A 230 10.106 -5.618 10.244 1.00 0.00 H new ATOM 0 HA VAL A 230 9.188 -3.459 11.913 1.00 0.00 H new ATOM 0 HB VAL A 230 11.556 -2.799 11.494 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.268 -2.228 9.209 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.892 -3.960 9.371 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.734 -2.868 8.574 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.082 -0.559 10.591 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.498 -1.131 10.014 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.843 -1.076 11.759 1.00 0.00 H new ATOM 696 N ALA A 231 7.482 -3.059 10.152 1.00 0.00 N ATOM 697 CA ALA A 231 6.422 -2.906 9.163 1.00 0.00 C ATOM 698 C ALA A 231 6.994 -2.536 7.798 1.00 0.00 C ATOM 699 O ALA A 231 8.071 -1.947 7.705 1.00 0.00 O ATOM 700 CB ALA A 231 5.422 -1.855 9.620 1.00 0.00 C ATOM 0 H ALA A 231 7.242 -2.719 11.083 1.00 0.00 H new ATOM 0 HA ALA A 231 5.909 -3.863 9.066 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.636 -1.751 8.872 1.00 0.00 H new ATOM 0 HB2 ALA A 231 4.982 -2.160 10.569 1.00 0.00 H new ATOM 0 HB3 ALA A 231 5.931 -0.899 9.747 1.00 0.00 H new ATOM 706 N ARG A 232 6.267 -2.886 6.742 1.00 0.00 N ATOM 707 CA ARG A 232 6.704 -2.592 5.383 1.00 0.00 C ATOM 708 C ARG A 232 6.721 -1.087 5.131 1.00 0.00 C ATOM 709 O ARG A 232 7.663 -0.558 4.543 1.00 0.00 O ATOM 710 CB ARG A 232 5.786 -3.279 4.370 1.00 0.00 C ATOM 711 CG ARG A 232 6.110 -2.938 2.925 1.00 0.00 C ATOM 712 CD ARG A 232 5.288 -3.774 1.957 1.00 0.00 C ATOM 713 NE ARG A 232 5.586 -3.451 0.564 1.00 0.00 N ATOM 714 CZ ARG A 232 4.738 -3.662 -0.437 1.00 0.00 C ATOM 715 NH1 ARG A 232 3.546 -4.193 -0.200 1.00 0.00 N ATOM 716 NH2 ARG A 232 5.082 -3.341 -1.677 1.00 0.00 N ATOM 0 H ARG A 232 5.373 -3.373 6.802 1.00 0.00 H new ATOM 0 HA ARG A 232 7.718 -2.975 5.263 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.855 -4.359 4.504 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.754 -2.997 4.578 1.00 0.00 H new ATOM 0 HG2 ARG A 232 5.917 -1.880 2.748 1.00 0.00 H new ATOM 0 HG3 ARG A 232 7.171 -3.104 2.740 1.00 0.00 H new ATOM 0 HD2 ARG A 232 5.485 -4.831 2.134 1.00 0.00 H new ATOM 0 HD3 ARG A 232 4.227 -3.611 2.148 1.00 0.00 H new ATOM 0 HE ARG A 232 6.495 -3.041 0.348 1.00 0.00 H new ATOM 0 HH11 ARG A 232 3.278 -4.440 0.753 1.00 0.00 H new ATOM 0 HH12 ARG A 232 2.897 -4.354 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 232 5.998 -2.932 -1.863 1.00 0.00 H new ATOM 0 HH22 ARG A 232 4.431 -3.503 -2.445 1.00 0.00 H new ATOM 730 N GLU A 233 5.672 -0.405 5.579 1.00 0.00 N ATOM 731 CA GLU A 233 5.566 1.038 5.400 1.00 0.00 C ATOM 732 C GLU A 233 6.429 1.777 6.420 1.00 0.00 C ATOM 733 O GLU A 233 6.377 3.003 6.521 1.00 0.00 O ATOM 734 CB GLU A 233 4.109 1.486 5.530 1.00 0.00 C ATOM 735 CG GLU A 233 3.574 1.415 6.950 1.00 0.00 C ATOM 736 CD GLU A 233 2.091 1.718 7.031 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.647 2.690 6.385 1.00 0.00 O ATOM 738 OE2 GLU A 233 1.373 0.981 7.739 1.00 0.00 O ATOM 0 H GLU A 233 4.884 -0.828 6.068 1.00 0.00 H new ATOM 0 HA GLU A 233 5.925 1.281 4.400 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.019 2.510 5.168 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.488 0.864 4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.760 0.420 7.355 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.120 2.121 7.576 1.00 0.00 H new ATOM 745 N ASP A 234 7.221 1.022 7.173 1.00 0.00 N ATOM 746 CA ASP A 234 8.096 1.604 8.185 1.00 0.00 C ATOM 747 C ASP A 234 9.562 1.356 7.843 1.00 0.00 C ATOM 748 O ASP A 234 10.458 1.977 8.416 1.00 0.00 O ATOM 749 CB ASP A 234 7.775 1.023 9.562 1.00 0.00 C ATOM 750 CG ASP A 234 6.482 1.571 10.135 1.00 0.00 C ATOM 751 OD1 ASP A 234 5.467 1.576 9.409 1.00 0.00 O ATOM 752 OD2 ASP A 234 6.487 1.997 11.309 1.00 0.00 O ATOM 0 H ASP A 234 7.275 0.006 7.102 1.00 0.00 H new ATOM 0 HA ASP A 234 7.923 2.680 8.204 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.705 -0.062 9.488 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.594 1.244 10.246 1.00 0.00 H new ATOM 757 N LEU A 235 9.800 0.443 6.907 1.00 0.00 N ATOM 758 CA LEU A 235 11.157 0.111 6.490 1.00 0.00 C ATOM 759 C LEU A 235 11.842 1.318 5.856 1.00 0.00 C ATOM 760 O LEU A 235 13.007 1.614 6.125 1.00 0.00 O ATOM 761 CB LEU A 235 11.137 -1.056 5.502 1.00 0.00 C ATOM 762 CG LEU A 235 12.403 -1.913 5.448 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.603 -2.651 6.763 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.334 -2.895 4.288 1.00 0.00 C ATOM 0 H LEU A 235 9.070 -0.080 6.423 1.00 0.00 H new ATOM 0 HA LEU A 235 11.722 -0.181 7.375 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.295 -1.702 5.751 1.00 0.00 H new ATOM 0 HB3 LEU A 235 10.949 -0.658 4.505 1.00 0.00 H new ATOM 0 HG LEU A 235 13.258 -1.255 5.290 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.508 -3.256 6.707 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.698 -1.929 7.574 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.746 -3.297 6.951 1.00 0.00 H new ATOM 0 HD21 LEU A 235 13.243 -3.496 4.265 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.470 -3.548 4.415 1.00 0.00 H new ATOM 0 HD23 LEU A 235 12.239 -2.346 3.351 1.00 0.00 H new ATOM 776 N PRO A 236 11.104 2.033 4.994 1.00 0.00 N ATOM 777 CA PRO A 236 11.618 3.220 4.306 1.00 0.00 C ATOM 778 C PRO A 236 12.316 4.185 5.258 1.00 0.00 C ATOM 779 O PRO A 236 13.523 4.403 5.162 1.00 0.00 O ATOM 780 CB PRO A 236 10.360 3.864 3.720 1.00 0.00 C ATOM 781 CG PRO A 236 9.399 2.737 3.555 1.00 0.00 C ATOM 782 CD PRO A 236 9.709 1.737 4.626 1.00 0.00 C ATOM 0 HA PRO A 236 12.369 2.964 3.559 1.00 0.00 H new ATOM 0 HB2 PRO A 236 9.961 4.630 4.385 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.570 4.348 2.766 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.372 3.090 3.643 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.498 2.287 2.567 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.039 1.845 5.479 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.600 0.715 4.262 1.00 0.00 H new ATOM 790 N GLY A 237 11.548 4.761 6.179 1.00 0.00 N ATOM 791 CA GLY A 237 12.111 5.696 7.135 1.00 0.00 C ATOM 792 C GLY A 237 13.225 5.081 7.960 1.00 0.00 C ATOM 793 O GLY A 237 14.103 5.789 8.455 1.00 0.00 O ATOM 0 H GLY A 237 10.546 4.596 6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.495 6.567 6.604 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.323 6.050 7.800 1.00 0.00 H new ATOM 797 N HIS A 238 13.190 3.761 8.109 1.00 0.00 N ATOM 798 CA HIS A 238 14.204 3.052 8.881 1.00 0.00 C ATOM 799 C HIS A 238 15.530 3.012 8.127 1.00 0.00 C ATOM 800 O HIS A 238 16.572 3.392 8.663 1.00 0.00 O ATOM 801 CB HIS A 238 13.737 1.629 9.190 1.00 0.00 C ATOM 802 CG HIS A 238 14.861 0.667 9.426 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.324 0.344 10.684 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.615 -0.044 8.555 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.315 -0.523 10.577 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.511 -0.775 9.295 1.00 0.00 N ATOM 0 H HIS A 238 12.471 3.161 7.706 1.00 0.00 H new ATOM 0 HA HIS A 238 14.354 3.589 9.818 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.096 1.649 10.071 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.128 1.267 8.361 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.528 -0.037 7.479 1.00 0.00 H new ATOM 0 HE1 HIS A 238 16.870 -0.953 11.398 1.00 0.00 H new ATOM 0 HE2 HIS A 238 17.214 -1.410 8.916 1.00 0.00 H new ATOM 814 N LEU A 239 15.485 2.549 6.883 1.00 0.00 N ATOM 815 CA LEU A 239 16.683 2.458 6.056 1.00 0.00 C ATOM 816 C LEU A 239 17.366 3.817 5.937 1.00 0.00 C ATOM 817 O LEU A 239 18.544 3.904 5.588 1.00 0.00 O ATOM 818 CB LEU A 239 16.328 1.930 4.665 1.00 0.00 C ATOM 819 CG LEU A 239 15.996 0.440 4.578 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.499 0.084 3.185 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.212 -0.400 4.943 1.00 0.00 C ATOM 0 H LEU A 239 14.631 2.231 6.424 1.00 0.00 H new ATOM 0 HA LEU A 239 17.374 1.765 6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.474 2.495 4.291 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.164 2.135 3.996 1.00 0.00 H new ATOM 0 HG LEU A 239 15.201 0.222 5.292 1.00 0.00 H new ATOM 0 HD11 LEU A 239 15.268 -0.980 3.142 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.601 0.660 2.961 1.00 0.00 H new ATOM 0 HD13 LEU A 239 16.272 0.317 2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 239 16.957 -1.458 4.876 1.00 0.00 H new ATOM 0 HD22 LEU A 239 18.027 -0.179 4.254 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.524 -0.166 5.961 1.00 0.00 H new ATOM 833 N LYS A 240 16.620 4.876 6.232 1.00 0.00 N ATOM 834 CA LYS A 240 17.154 6.232 6.162 1.00 0.00 C ATOM 835 C LYS A 240 18.170 6.475 7.274 1.00 0.00 C ATOM 836 O LYS A 240 19.350 6.705 7.010 1.00 0.00 O ATOM 837 CB LYS A 240 16.019 7.254 6.261 1.00 0.00 C ATOM 838 CG LYS A 240 15.307 7.501 4.942 1.00 0.00 C ATOM 839 CD LYS A 240 15.967 8.620 4.153 1.00 0.00 C ATOM 840 CE LYS A 240 15.115 9.041 2.966 1.00 0.00 C ATOM 841 NZ LYS A 240 15.423 10.431 2.527 1.00 0.00 N ATOM 0 H LYS A 240 15.644 4.822 6.522 1.00 0.00 H new ATOM 0 HA LYS A 240 17.658 6.349 5.202 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.293 6.908 6.997 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.422 8.198 6.629 1.00 0.00 H new ATOM 0 HG2 LYS A 240 15.309 6.586 4.349 1.00 0.00 H new ATOM 0 HG3 LYS A 240 14.264 7.755 5.132 1.00 0.00 H new ATOM 0 HD2 LYS A 240 16.134 9.477 4.805 1.00 0.00 H new ATOM 0 HD3 LYS A 240 16.945 8.291 3.802 1.00 0.00 H new ATOM 0 HE2 LYS A 240 15.282 8.353 2.137 1.00 0.00 H new ATOM 0 HE3 LYS A 240 14.060 8.970 3.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 14.822 10.680 1.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 15.240 11.091 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 16.423 10.494 2.248 1.00 0.00 H new ATOM 855 N ASP A 241 17.704 6.420 8.516 1.00 0.00 N ATOM 856 CA ASP A 241 18.572 6.632 9.669 1.00 0.00 C ATOM 857 C ASP A 241 18.676 5.365 10.511 1.00 0.00 C ATOM 858 O ASP A 241 19.771 4.859 10.758 1.00 0.00 O ATOM 859 CB ASP A 241 18.049 7.787 10.524 1.00 0.00 C ATOM 860 CG ASP A 241 19.138 8.429 11.360 1.00 0.00 C ATOM 861 OD1 ASP A 241 20.254 8.620 10.833 1.00 0.00 O ATOM 862 OD2 ASP A 241 18.876 8.740 12.540 1.00 0.00 O ATOM 0 H ASP A 241 16.730 6.230 8.751 1.00 0.00 H new ATOM 0 HA ASP A 241 19.567 6.885 9.302 1.00 0.00 H new ATOM 0 HB2 ASP A 241 17.601 8.540 9.876 1.00 0.00 H new ATOM 0 HB3 ASP A 241 17.260 7.421 11.180 1.00 0.00 H new ATOM 867 N SER A 242 17.529 4.857 10.951 1.00 0.00 N ATOM 868 CA SER A 242 17.491 3.651 11.770 1.00 0.00 C ATOM 869 C SER A 242 18.599 2.684 11.365 1.00 0.00 C ATOM 870 O SER A 242 19.556 2.471 12.110 1.00 0.00 O ATOM 871 CB SER A 242 16.128 2.966 11.644 1.00 0.00 C ATOM 872 OG SER A 242 15.075 3.866 11.943 1.00 0.00 O ATOM 0 H SER A 242 16.614 5.262 10.754 1.00 0.00 H new ATOM 0 HA SER A 242 17.649 3.942 12.809 1.00 0.00 H new ATOM 0 HB2 SER A 242 16.004 2.580 10.632 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.083 2.112 12.319 1.00 0.00 H new ATOM 0 HG SER A 242 14.231 3.372 12.010 1.00 0.00 H new ATOM 878 N CYS A 243 18.462 2.100 10.180 1.00 0.00 N ATOM 879 CA CYS A 243 19.449 1.155 9.674 1.00 0.00 C ATOM 880 C CYS A 243 20.836 1.790 9.625 1.00 0.00 C ATOM 881 O CYS A 243 20.969 3.000 9.445 1.00 0.00 O ATOM 882 CB CYS A 243 19.051 0.667 8.279 1.00 0.00 C ATOM 883 SG CYS A 243 19.693 -0.986 7.859 1.00 0.00 S ATOM 0 H CYS A 243 17.676 2.265 9.551 1.00 0.00 H new ATOM 0 HA CYS A 243 19.482 0.304 10.354 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.963 0.652 8.208 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.409 1.383 7.539 1.00 0.00 H new ATOM 0 HG CYS A 243 18.699 -1.807 7.688 1.00 0.00 H new