USER MOD reduce.3.24.130724 H: found=0, std=0, add=382, rem=0, adj=15 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 128:sc= -0.408 USER MOD Set 1.2: A 223 ASN : amide:sc= -1.8 X(o=-8.7,f=-9.1) USER MOD Set 1.3: A 225 CYS SG : rot -86:sc= -2.8! USER MOD Set 1.4: A 238 HIS : no HD1:sc= -5.66! C(o=-8.7!,f=-17!) USER MOD Set 1.5: A 242 SER OG : rot -150:sc= 1.2 USER MOD Set 1.6: A 243 CYS SG : rot 127:sc= 0.779 USER MOD Set 2.1: A 195 CYS SG : rot 110:sc= 0.625 USER MOD Set 2.2: A 198 CYS SG : rot -62:sc= -2.39 USER MOD Set 2.3: A 210 HIS : no HD1:sc= -0.624 K(o=-2.1,f=-4.1) USER MOD Set 2.4: A 214 CYS SG : rot 155:sc= 0.329 USER MOD Single : A 192 THR OG1 : rot -31:sc= 0.134 USER MOD Single : A 193 GLN : amide:sc= -0.236 X(o=-0.24,f=-0.24) 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 51:sc= -0.14 USER MOD Single : A 200 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 206 THR OG1 : rot -43:sc= 0.195 USER MOD Single : A 208 GLN : amide:sc= -1.85 X(o=-1.9,f=-1.6!) USER MOD Single : A 209 SER OG : rot 180:sc= 0 USER MOD Single : A 211 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 212 TYR OH : rot 180:sc= 0 USER MOD Single : A 213 GLN : amide:sc= -0.174 X(o=-0.17,f=-0.13) USER MOD Single : A 224 GLN : amide:sc= -0.0279 K(o=-0.028,f=-2.3!) 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 ----------------------------------------------------------------- ATOM 112 N THR A 192 -17.125 -9.606 6.932 1.00 0.00 N ATOM 113 CA THR A 192 -15.888 -8.869 6.706 1.00 0.00 C ATOM 114 C THR A 192 -14.899 -9.094 7.844 1.00 0.00 C ATOM 115 O THR A 192 -15.294 -9.269 8.996 1.00 0.00 O ATOM 116 CB THR A 192 -16.153 -7.358 6.563 1.00 0.00 C ATOM 117 OG1 THR A 192 -16.888 -6.880 7.695 1.00 0.00 O ATOM 118 CG2 THR A 192 -16.926 -7.063 5.287 1.00 0.00 C ATOM 0 HA THR A 192 -15.461 -9.245 5.777 1.00 0.00 H new ATOM 0 HB THR A 192 -15.192 -6.846 6.513 1.00 0.00 H new ATOM 0 HG1 THR A 192 -17.472 -7.592 8.030 1.00 0.00 H new ATOM 0 HG21 THR A 192 -17.101 -5.990 5.208 1.00 0.00 H new ATOM 0 HG22 THR A 192 -16.349 -7.401 4.426 1.00 0.00 H new ATOM 0 HG23 THR A 192 -17.882 -7.586 5.312 1.00 0.00 H new ATOM 126 N GLN A 193 -13.612 -9.088 7.512 1.00 0.00 N ATOM 127 CA GLN A 193 -12.566 -9.293 8.508 1.00 0.00 C ATOM 128 C GLN A 193 -11.720 -8.034 8.675 1.00 0.00 C ATOM 129 O GLN A 193 -10.897 -7.693 7.826 1.00 0.00 O ATOM 130 CB GLN A 193 -11.675 -10.470 8.108 1.00 0.00 C ATOM 131 CG GLN A 193 -12.361 -11.821 8.232 1.00 0.00 C ATOM 132 CD GLN A 193 -12.853 -12.099 9.639 1.00 0.00 C ATOM 133 OE1 GLN A 193 -14.052 -12.039 9.913 1.00 0.00 O ATOM 134 NE2 GLN A 193 -11.928 -12.406 10.541 1.00 0.00 N ATOM 0 H GLN A 193 -13.269 -8.944 6.562 1.00 0.00 H new ATOM 0 HA GLN A 193 -13.045 -9.517 9.461 1.00 0.00 H new ATOM 0 HB2 GLN A 193 -11.346 -10.332 7.078 1.00 0.00 H new ATOM 0 HB3 GLN A 193 -10.781 -10.467 8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 193 -13.204 -11.861 7.542 1.00 0.00 H new ATOM 0 HG3 GLN A 193 -11.666 -12.606 7.932 1.00 0.00 H new ATOM 0 HE21 GLN A 193 -10.945 -12.445 10.271 1.00 0.00 H new ATOM 0 HE22 GLN A 193 -12.200 -12.603 11.504 1.00 0.00 H new ATOM 143 N PRO A 194 -11.927 -7.326 9.795 1.00 0.00 N ATOM 144 CA PRO A 194 -11.193 -6.095 10.100 1.00 0.00 C ATOM 145 C PRO A 194 -9.726 -6.358 10.421 1.00 0.00 C ATOM 146 O PRO A 194 -9.394 -6.848 11.501 1.00 0.00 O ATOM 147 CB PRO A 194 -11.919 -5.545 11.330 1.00 0.00 C ATOM 148 CG PRO A 194 -12.534 -6.740 11.973 1.00 0.00 C ATOM 149 CD PRO A 194 -12.893 -7.674 10.851 1.00 0.00 C ATOM 0 HA PRO A 194 -11.179 -5.409 9.253 1.00 0.00 H new ATOM 0 HB2 PRO A 194 -11.227 -5.043 12.007 1.00 0.00 H new ATOM 0 HB3 PRO A 194 -12.676 -4.813 11.048 1.00 0.00 H new ATOM 0 HG2 PRO A 194 -11.838 -7.212 12.666 1.00 0.00 H new ATOM 0 HG3 PRO A 194 -13.418 -6.463 12.548 1.00 0.00 H new ATOM 0 HD2 PRO A 194 -12.801 -8.718 11.152 1.00 0.00 H new ATOM 0 HD3 PRO A 194 -13.921 -7.527 10.519 1.00 0.00 H new ATOM 157 N CYS A 195 -8.851 -6.031 9.476 1.00 0.00 N ATOM 158 CA CYS A 195 -7.418 -6.232 9.657 1.00 0.00 C ATOM 159 C CYS A 195 -6.927 -5.537 10.924 1.00 0.00 C ATOM 160 O CYS A 195 -7.110 -4.331 11.095 1.00 0.00 O ATOM 161 CB CYS A 195 -6.650 -5.706 8.443 1.00 0.00 C ATOM 162 SG CYS A 195 -4.996 -6.440 8.234 1.00 0.00 S ATOM 0 H CYS A 195 -9.109 -5.625 8.576 1.00 0.00 H new ATOM 0 HA CYS A 195 -7.237 -7.302 9.757 1.00 0.00 H new ATOM 0 HB2 CYS A 195 -7.237 -5.897 7.545 1.00 0.00 H new ATOM 0 HB3 CYS A 195 -6.547 -4.625 8.532 1.00 0.00 H new ATOM 0 HG CYS A 195 -4.995 -7.219 7.194 1.00 0.00 H new ATOM 167 N THR A 196 -6.302 -6.306 11.810 1.00 0.00 N ATOM 168 CA THR A 196 -5.785 -5.765 13.061 1.00 0.00 C ATOM 169 C THR A 196 -4.490 -4.994 12.833 1.00 0.00 C ATOM 170 O THR A 196 -3.865 -4.518 13.781 1.00 0.00 O ATOM 171 CB THR A 196 -5.530 -6.880 14.092 1.00 0.00 C ATOM 172 OG1 THR A 196 -6.684 -7.722 14.198 1.00 0.00 O ATOM 173 CG2 THR A 196 -5.199 -6.292 15.455 1.00 0.00 C ATOM 0 H THR A 196 -6.142 -7.305 11.684 1.00 0.00 H new ATOM 0 HA THR A 196 -6.545 -5.087 13.450 1.00 0.00 H new ATOM 0 HB THR A 196 -4.679 -7.470 13.752 1.00 0.00 H new ATOM 0 HG1 THR A 196 -6.513 -8.430 14.854 1.00 0.00 H new ATOM 0 HG21 THR A 196 -5.023 -7.099 16.166 1.00 0.00 H new ATOM 0 HG22 THR A 196 -4.304 -5.675 15.377 1.00 0.00 H new ATOM 0 HG23 THR A 196 -6.033 -5.680 15.799 1.00 0.00 H new ATOM 181 N TYR A 197 -4.094 -4.872 11.571 1.00 0.00 N ATOM 182 CA TYR A 197 -2.871 -4.159 11.219 1.00 0.00 C ATOM 183 C TYR A 197 -3.191 -2.789 10.629 1.00 0.00 C ATOM 184 O TYR A 197 -2.842 -1.757 11.202 1.00 0.00 O ATOM 185 CB TYR A 197 -2.048 -4.977 10.223 1.00 0.00 C ATOM 186 CG TYR A 197 -1.416 -6.211 10.827 1.00 0.00 C ATOM 187 CD1 TYR A 197 -2.193 -7.173 11.462 1.00 0.00 C ATOM 188 CD2 TYR A 197 -0.043 -6.414 10.765 1.00 0.00 C ATOM 189 CE1 TYR A 197 -1.620 -8.301 12.016 1.00 0.00 C ATOM 190 CE2 TYR A 197 0.538 -7.539 11.315 1.00 0.00 C ATOM 191 CZ TYR A 197 -0.254 -8.480 11.940 1.00 0.00 C ATOM 192 OH TYR A 197 0.321 -9.602 12.491 1.00 0.00 O ATOM 0 H TYR A 197 -4.602 -5.257 10.775 1.00 0.00 H new ATOM 0 HA TYR A 197 -2.289 -4.015 12.129 1.00 0.00 H new ATOM 0 HB2 TYR A 197 -2.690 -5.277 9.394 1.00 0.00 H new ATOM 0 HB3 TYR A 197 -1.264 -4.344 9.807 1.00 0.00 H new ATOM 0 HD1 TYR A 197 -3.263 -7.036 11.523 1.00 0.00 H new ATOM 0 HD2 TYR A 197 0.581 -5.679 10.278 1.00 0.00 H new ATOM 0 HE1 TYR A 197 -2.238 -9.039 12.506 1.00 0.00 H new ATOM 0 HE2 TYR A 197 1.607 -7.682 11.256 1.00 0.00 H new ATOM 0 HH TYR A 197 1.290 -9.575 12.350 1.00 0.00 H new ATOM 202 N CYS A 198 -3.857 -2.788 9.480 1.00 0.00 N ATOM 203 CA CYS A 198 -4.225 -1.547 8.810 1.00 0.00 C ATOM 204 C CYS A 198 -5.568 -1.031 9.319 1.00 0.00 C ATOM 205 O CYS A 198 -6.136 -0.090 8.764 1.00 0.00 O ATOM 206 CB CYS A 198 -4.288 -1.759 7.296 1.00 0.00 C ATOM 207 SG CYS A 198 -5.451 -3.062 6.776 1.00 0.00 S ATOM 0 H CYS A 198 -4.153 -3.634 8.993 1.00 0.00 H new ATOM 0 HA CYS A 198 -3.461 -0.802 9.034 1.00 0.00 H new ATOM 0 HB2 CYS A 198 -4.573 -0.821 6.820 1.00 0.00 H new ATOM 0 HB3 CYS A 198 -3.291 -2.010 6.933 1.00 0.00 H new ATOM 0 HG CYS A 198 -5.077 -4.202 7.275 1.00 0.00 H new ATOM 212 N THR A 199 -6.072 -1.655 10.379 1.00 0.00 N ATOM 213 CA THR A 199 -7.348 -1.261 10.963 1.00 0.00 C ATOM 214 C THR A 199 -8.362 -0.910 9.881 1.00 0.00 C ATOM 215 O THR A 199 -9.094 0.074 9.997 1.00 0.00 O ATOM 216 CB THR A 199 -7.185 -0.056 11.909 1.00 0.00 C ATOM 217 OG1 THR A 199 -6.435 0.977 11.260 1.00 0.00 O ATOM 218 CG2 THR A 199 -6.484 -0.468 13.194 1.00 0.00 C ATOM 0 H THR A 199 -5.616 -2.436 10.851 1.00 0.00 H new ATOM 0 HA THR A 199 -7.711 -2.115 11.535 1.00 0.00 H new ATOM 0 HB THR A 199 -8.177 0.319 12.160 1.00 0.00 H new ATOM 0 HG1 THR A 199 -6.829 1.166 10.383 1.00 0.00 H new ATOM 0 HG21 THR A 199 -6.380 0.399 13.846 1.00 0.00 H new ATOM 0 HG22 THR A 199 -7.072 -1.234 13.700 1.00 0.00 H new ATOM 0 HG23 THR A 199 -5.497 -0.865 12.959 1.00 0.00 H new ATOM 226 N LYS A 200 -8.403 -1.721 8.829 1.00 0.00 N ATOM 227 CA LYS A 200 -9.330 -1.497 7.726 1.00 0.00 C ATOM 228 C LYS A 200 -10.438 -2.545 7.726 1.00 0.00 C ATOM 229 O LYS A 200 -10.517 -3.377 8.629 1.00 0.00 O ATOM 230 CB LYS A 200 -8.583 -1.530 6.390 1.00 0.00 C ATOM 231 CG LYS A 200 -7.738 -0.294 6.135 1.00 0.00 C ATOM 232 CD LYS A 200 -7.488 -0.087 4.651 1.00 0.00 C ATOM 233 CE LYS A 200 -6.775 1.231 4.385 1.00 0.00 C ATOM 234 NZ LYS A 200 -6.737 1.557 2.932 1.00 0.00 N ATOM 0 H LYS A 200 -7.805 -2.540 8.717 1.00 0.00 H new ATOM 0 HA LYS A 200 -9.783 -0.514 7.858 1.00 0.00 H new ATOM 0 HB2 LYS A 200 -7.941 -2.410 6.364 1.00 0.00 H new ATOM 0 HB3 LYS A 200 -9.306 -1.639 5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 200 -8.240 0.582 6.546 1.00 0.00 H new ATOM 0 HG3 LYS A 200 -6.785 -0.390 6.656 1.00 0.00 H new ATOM 0 HD2 LYS A 200 -6.889 -0.911 4.263 1.00 0.00 H new ATOM 0 HD3 LYS A 200 -8.437 -0.103 4.115 1.00 0.00 H new ATOM 0 HE2 LYS A 200 -7.280 2.033 4.924 1.00 0.00 H new ATOM 0 HE3 LYS A 200 -5.757 1.178 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 200 -6.243 2.462 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 200 -6.233 0.805 2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 200 -7.708 1.633 2.568 1.00 0.00 H new ATOM 248 N GLU A 201 -11.292 -2.498 6.708 1.00 0.00 N ATOM 249 CA GLU A 201 -12.395 -3.444 6.592 1.00 0.00 C ATOM 250 C GLU A 201 -12.473 -4.019 5.181 1.00 0.00 C ATOM 251 O GLU A 201 -12.872 -3.333 4.240 1.00 0.00 O ATOM 252 CB GLU A 201 -13.718 -2.765 6.951 1.00 0.00 C ATOM 253 CG GLU A 201 -13.683 -2.027 8.279 1.00 0.00 C ATOM 254 CD GLU A 201 -14.096 -2.905 9.445 1.00 0.00 C ATOM 255 OE1 GLU A 201 -13.965 -4.142 9.333 1.00 0.00 O ATOM 256 OE2 GLU A 201 -14.549 -2.354 10.470 1.00 0.00 O ATOM 0 H GLU A 201 -11.241 -1.815 5.952 1.00 0.00 H new ATOM 0 HA GLU A 201 -12.213 -4.262 7.289 1.00 0.00 H new ATOM 0 HB2 GLU A 201 -13.982 -2.062 6.161 1.00 0.00 H new ATOM 0 HB3 GLU A 201 -14.506 -3.518 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 201 -12.676 -1.648 8.453 1.00 0.00 H new ATOM 0 HG3 GLU A 201 -14.345 -1.162 8.228 1.00 0.00 H new ATOM 263 N PHE A 202 -12.087 -5.283 5.041 1.00 0.00 N ATOM 264 CA PHE A 202 -12.111 -5.951 3.745 1.00 0.00 C ATOM 265 C PHE A 202 -12.934 -7.235 3.810 1.00 0.00 C ATOM 266 O PHE A 202 -13.140 -7.800 4.884 1.00 0.00 O ATOM 267 CB PHE A 202 -10.687 -6.268 3.284 1.00 0.00 C ATOM 268 CG PHE A 202 -9.828 -5.048 3.112 1.00 0.00 C ATOM 269 CD1 PHE A 202 -9.997 -4.213 2.020 1.00 0.00 C ATOM 270 CD2 PHE A 202 -8.850 -4.736 4.044 1.00 0.00 C ATOM 271 CE1 PHE A 202 -9.207 -3.090 1.859 1.00 0.00 C ATOM 272 CE2 PHE A 202 -8.058 -3.614 3.889 1.00 0.00 C ATOM 273 CZ PHE A 202 -8.237 -2.790 2.795 1.00 0.00 C ATOM 0 H PHE A 202 -11.754 -5.865 5.809 1.00 0.00 H new ATOM 0 HA PHE A 202 -12.577 -5.277 3.026 1.00 0.00 H new ATOM 0 HB2 PHE A 202 -10.218 -6.933 4.009 1.00 0.00 H new ATOM 0 HB3 PHE A 202 -10.731 -6.808 2.338 1.00 0.00 H new ATOM 0 HD1 PHE A 202 -10.755 -4.442 1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 202 -8.705 -5.377 4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 202 -9.348 -2.448 1.002 1.00 0.00 H new ATOM 0 HE2 PHE A 202 -7.300 -3.382 4.622 1.00 0.00 H new ATOM 0 HZ PHE A 202 -7.619 -1.913 2.672 1.00 0.00 H new ATOM 283 N VAL A 203 -13.403 -7.689 2.652 1.00 0.00 N ATOM 284 CA VAL A 203 -14.202 -8.906 2.576 1.00 0.00 C ATOM 285 C VAL A 203 -13.413 -10.114 3.065 1.00 0.00 C ATOM 286 O VAL A 203 -12.293 -10.361 2.617 1.00 0.00 O ATOM 287 CB VAL A 203 -14.686 -9.171 1.138 1.00 0.00 C ATOM 288 CG1 VAL A 203 -15.799 -10.207 1.131 1.00 0.00 C ATOM 289 CG2 VAL A 203 -15.147 -7.877 0.484 1.00 0.00 C ATOM 0 H VAL A 203 -13.243 -7.232 1.754 1.00 0.00 H new ATOM 0 HA VAL A 203 -15.068 -8.756 3.221 1.00 0.00 H new ATOM 0 HB VAL A 203 -13.851 -9.566 0.560 1.00 0.00 H new ATOM 0 HG11 VAL A 203 -16.128 -10.381 0.106 1.00 0.00 H new ATOM 0 HG12 VAL A 203 -15.430 -11.140 1.557 1.00 0.00 H new ATOM 0 HG13 VAL A 203 -16.638 -9.844 1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 203 -15.486 -8.083 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 203 -15.968 -7.450 1.061 1.00 0.00 H new ATOM 0 HG23 VAL A 203 -14.318 -7.169 0.454 1.00 0.00 H new ATOM 299 N PHE A 204 -14.003 -10.866 3.988 1.00 0.00 N ATOM 300 CA PHE A 204 -13.355 -12.050 4.540 1.00 0.00 C ATOM 301 C PHE A 204 -12.632 -12.833 3.448 1.00 0.00 C ATOM 302 O PHE A 204 -11.599 -13.456 3.695 1.00 0.00 O ATOM 303 CB PHE A 204 -14.385 -12.947 5.230 1.00 0.00 C ATOM 304 CG PHE A 204 -14.979 -13.986 4.322 1.00 0.00 C ATOM 305 CD1 PHE A 204 -15.905 -13.631 3.354 1.00 0.00 C ATOM 306 CD2 PHE A 204 -14.612 -15.317 4.437 1.00 0.00 C ATOM 307 CE1 PHE A 204 -16.453 -14.585 2.517 1.00 0.00 C ATOM 308 CE2 PHE A 204 -15.156 -16.275 3.602 1.00 0.00 C ATOM 309 CZ PHE A 204 -16.079 -15.908 2.642 1.00 0.00 C ATOM 0 H PHE A 204 -14.930 -10.676 4.370 1.00 0.00 H new ATOM 0 HA PHE A 204 -12.620 -11.722 5.275 1.00 0.00 H new ATOM 0 HB2 PHE A 204 -13.913 -13.444 6.077 1.00 0.00 H new ATOM 0 HB3 PHE A 204 -15.186 -12.326 5.631 1.00 0.00 H new ATOM 0 HD1 PHE A 204 -16.202 -12.598 3.252 1.00 0.00 H new ATOM 0 HD2 PHE A 204 -13.893 -15.609 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 204 -17.173 -14.296 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 204 -14.860 -17.309 3.700 1.00 0.00 H new ATOM 0 HZ PHE A 204 -16.507 -16.655 1.990 1.00 0.00 H new ATOM 319 N ASP A 205 -13.183 -12.797 2.239 1.00 0.00 N ATOM 320 CA ASP A 205 -12.592 -13.502 1.108 1.00 0.00 C ATOM 321 C ASP A 205 -11.311 -12.814 0.648 1.00 0.00 C ATOM 322 O ASP A 205 -10.308 -13.470 0.364 1.00 0.00 O ATOM 323 CB ASP A 205 -13.589 -13.580 -0.049 1.00 0.00 C ATOM 324 CG ASP A 205 -13.245 -14.677 -1.037 1.00 0.00 C ATOM 325 OD1 ASP A 205 -13.398 -15.865 -0.683 1.00 0.00 O ATOM 326 OD2 ASP A 205 -12.824 -14.348 -2.166 1.00 0.00 O ATOM 0 H ASP A 205 -14.038 -12.287 2.018 1.00 0.00 H new ATOM 0 HA ASP A 205 -12.343 -14.513 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 205 -14.589 -13.753 0.348 1.00 0.00 H new ATOM 0 HB3 ASP A 205 -13.614 -12.622 -0.568 1.00 0.00 H new ATOM 331 N THR A 206 -11.352 -11.487 0.574 1.00 0.00 N ATOM 332 CA THR A 206 -10.196 -10.710 0.146 1.00 0.00 C ATOM 333 C THR A 206 -9.113 -10.698 1.219 1.00 0.00 C ATOM 334 O THR A 206 -7.928 -10.845 0.919 1.00 0.00 O ATOM 335 CB THR A 206 -10.588 -9.258 -0.188 1.00 0.00 C ATOM 336 OG1 THR A 206 -11.015 -8.580 0.999 1.00 0.00 O ATOM 337 CG2 THR A 206 -11.700 -9.222 -1.226 1.00 0.00 C ATOM 0 H THR A 206 -12.174 -10.928 0.805 1.00 0.00 H new ATOM 0 HA THR A 206 -9.808 -11.190 -0.752 1.00 0.00 H new ATOM 0 HB THR A 206 -9.713 -8.755 -0.599 1.00 0.00 H new ATOM 0 HG1 THR A 206 -11.599 -9.170 1.520 1.00 0.00 H new ATOM 0 HG21 THR A 206 -11.960 -8.186 -1.445 1.00 0.00 H new ATOM 0 HG22 THR A 206 -11.362 -9.713 -2.139 1.00 0.00 H new ATOM 0 HG23 THR A 206 -12.576 -9.741 -0.838 1.00 0.00 H new ATOM 345 N ILE A 207 -9.528 -10.522 2.469 1.00 0.00 N ATOM 346 CA ILE A 207 -8.592 -10.493 3.586 1.00 0.00 C ATOM 347 C ILE A 207 -7.481 -11.520 3.400 1.00 0.00 C ATOM 348 O ILE A 207 -6.361 -11.329 3.873 1.00 0.00 O ATOM 349 CB ILE A 207 -9.305 -10.762 4.925 1.00 0.00 C ATOM 350 CG1 ILE A 207 -8.525 -10.131 6.080 1.00 0.00 C ATOM 351 CG2 ILE A 207 -9.470 -12.259 5.146 1.00 0.00 C ATOM 352 CD1 ILE A 207 -8.797 -8.653 6.255 1.00 0.00 C ATOM 0 H ILE A 207 -10.505 -10.397 2.733 1.00 0.00 H new ATOM 0 HA ILE A 207 -8.159 -9.493 3.608 1.00 0.00 H new ATOM 0 HB ILE A 207 -10.295 -10.308 4.889 1.00 0.00 H new ATOM 0 HG12 ILE A 207 -8.776 -10.651 7.005 1.00 0.00 H new ATOM 0 HG13 ILE A 207 -7.458 -10.279 5.911 1.00 0.00 H new ATOM 0 HG21 ILE A 207 -9.975 -12.433 6.096 1.00 0.00 H new ATOM 0 HG22 ILE A 207 -10.064 -12.683 4.336 1.00 0.00 H new ATOM 0 HG23 ILE A 207 -8.489 -12.734 5.164 1.00 0.00 H new ATOM 0 HD11 ILE A 207 -8.211 -8.272 7.091 1.00 0.00 H new ATOM 0 HD12 ILE A 207 -8.519 -8.122 5.345 1.00 0.00 H new ATOM 0 HD13 ILE A 207 -9.857 -8.499 6.455 1.00 0.00 H new ATOM 364 N GLN A 208 -7.799 -12.608 2.706 1.00 0.00 N ATOM 365 CA GLN A 208 -6.826 -13.665 2.456 1.00 0.00 C ATOM 366 C GLN A 208 -5.661 -13.146 1.620 1.00 0.00 C ATOM 367 O GLN A 208 -4.506 -13.207 2.043 1.00 0.00 O ATOM 368 CB GLN A 208 -7.494 -14.844 1.745 1.00 0.00 C ATOM 369 CG GLN A 208 -8.053 -15.890 2.695 1.00 0.00 C ATOM 370 CD GLN A 208 -9.485 -15.603 3.102 1.00 0.00 C ATOM 371 OE1 GLN A 208 -9.741 -15.085 4.190 1.00 0.00 O ATOM 372 NE2 GLN A 208 -10.427 -15.938 2.229 1.00 0.00 N ATOM 0 H GLN A 208 -8.722 -12.781 2.307 1.00 0.00 H new ATOM 0 HA GLN A 208 -6.438 -14.002 3.417 1.00 0.00 H new ATOM 0 HB2 GLN A 208 -8.301 -14.468 1.116 1.00 0.00 H new ATOM 0 HB3 GLN A 208 -6.768 -15.317 1.083 1.00 0.00 H new ATOM 0 HG2 GLN A 208 -8.004 -16.870 2.220 1.00 0.00 H new ATOM 0 HG3 GLN A 208 -7.428 -15.936 3.587 1.00 0.00 H new ATOM 0 HE21 GLN A 208 -10.169 -16.365 1.339 1.00 0.00 H new ATOM 0 HE22 GLN A 208 -11.409 -15.768 2.448 1.00 0.00 H new ATOM 381 N SER A 209 -5.971 -12.636 0.433 1.00 0.00 N ATOM 382 CA SER A 209 -4.949 -12.110 -0.464 1.00 0.00 C ATOM 383 C SER A 209 -4.409 -10.778 0.049 1.00 0.00 C ATOM 384 O SER A 209 -3.215 -10.496 -0.060 1.00 0.00 O ATOM 385 CB SER A 209 -5.518 -11.933 -1.873 1.00 0.00 C ATOM 386 OG SER A 209 -4.504 -12.067 -2.853 1.00 0.00 O ATOM 0 H SER A 209 -6.922 -12.576 0.070 1.00 0.00 H new ATOM 0 HA SER A 209 -4.128 -12.826 -0.499 1.00 0.00 H new ATOM 0 HB2 SER A 209 -6.298 -12.673 -2.049 1.00 0.00 H new ATOM 0 HB3 SER A 209 -5.984 -10.952 -1.960 1.00 0.00 H new ATOM 0 HG SER A 209 -4.894 -11.951 -3.745 1.00 0.00 H new ATOM 392 N HIS A 210 -5.297 -9.964 0.610 1.00 0.00 N ATOM 393 CA HIS A 210 -4.911 -8.661 1.142 1.00 0.00 C ATOM 394 C HIS A 210 -3.697 -8.787 2.058 1.00 0.00 C ATOM 395 O HIS A 210 -2.717 -8.058 1.907 1.00 0.00 O ATOM 396 CB HIS A 210 -6.077 -8.032 1.904 1.00 0.00 C ATOM 397 CG HIS A 210 -5.650 -7.027 2.929 1.00 0.00 C ATOM 398 ND1 HIS A 210 -5.203 -5.763 2.604 1.00 0.00 N ATOM 399 CD2 HIS A 210 -5.605 -7.104 4.280 1.00 0.00 C ATOM 400 CE1 HIS A 210 -4.900 -5.108 3.710 1.00 0.00 C ATOM 401 NE2 HIS A 210 -5.135 -5.899 4.741 1.00 0.00 N ATOM 0 H HIS A 210 -6.288 -10.183 0.708 1.00 0.00 H new ATOM 0 HA HIS A 210 -4.646 -8.017 0.303 1.00 0.00 H new ATOM 0 HB2 HIS A 210 -6.748 -7.550 1.192 1.00 0.00 H new ATOM 0 HB3 HIS A 210 -6.647 -8.821 2.396 1.00 0.00 H new ATOM 0 HD2 HIS A 210 -5.886 -7.955 4.883 1.00 0.00 H new ATOM 0 HE1 HIS A 210 -4.524 -4.097 3.762 1.00 0.00 H new ATOM 0 HE2 HIS A 210 -4.991 -5.655 5.721 1.00 0.00 H new ATOM 409 N GLN A 211 -3.771 -9.714 3.007 1.00 0.00 N ATOM 410 CA GLN A 211 -2.679 -9.933 3.948 1.00 0.00 C ATOM 411 C GLN A 211 -1.329 -9.698 3.279 1.00 0.00 C ATOM 412 O GLN A 211 -0.452 -9.042 3.841 1.00 0.00 O ATOM 413 CB GLN A 211 -2.742 -11.353 4.513 1.00 0.00 C ATOM 414 CG GLN A 211 -3.592 -11.472 5.767 1.00 0.00 C ATOM 415 CD GLN A 211 -3.245 -12.694 6.594 1.00 0.00 C ATOM 416 OE1 GLN A 211 -2.678 -13.661 6.086 1.00 0.00 O ATOM 417 NE2 GLN A 211 -3.584 -12.657 7.878 1.00 0.00 N ATOM 0 H GLN A 211 -4.576 -10.326 3.145 1.00 0.00 H new ATOM 0 HA GLN A 211 -2.788 -9.220 4.765 1.00 0.00 H new ATOM 0 HB2 GLN A 211 -3.140 -12.021 3.750 1.00 0.00 H new ATOM 0 HB3 GLN A 211 -1.730 -11.691 4.737 1.00 0.00 H new ATOM 0 HG2 GLN A 211 -3.462 -10.577 6.376 1.00 0.00 H new ATOM 0 HG3 GLN A 211 -4.644 -11.516 5.485 1.00 0.00 H new ATOM 0 HE21 GLN A 211 -4.053 -11.835 8.258 1.00 0.00 H new ATOM 0 HE22 GLN A 211 -3.375 -13.451 8.484 1.00 0.00 H new ATOM 426 N TYR A 212 -1.169 -10.238 2.076 1.00 0.00 N ATOM 427 CA TYR A 212 0.076 -10.090 1.331 1.00 0.00 C ATOM 428 C TYR A 212 0.349 -8.623 1.012 1.00 0.00 C ATOM 429 O TYR A 212 1.465 -8.137 1.188 1.00 0.00 O ATOM 430 CB TYR A 212 0.020 -10.903 0.036 1.00 0.00 C ATOM 431 CG TYR A 212 0.244 -12.384 0.241 1.00 0.00 C ATOM 432 CD1 TYR A 212 -0.799 -13.219 0.622 1.00 0.00 C ATOM 433 CD2 TYR A 212 1.500 -12.949 0.053 1.00 0.00 C ATOM 434 CE1 TYR A 212 -0.599 -14.572 0.810 1.00 0.00 C ATOM 435 CE2 TYR A 212 1.709 -14.302 0.238 1.00 0.00 C ATOM 436 CZ TYR A 212 0.657 -15.109 0.617 1.00 0.00 C ATOM 437 OH TYR A 212 0.861 -16.457 0.803 1.00 0.00 O ATOM 0 H TYR A 212 -1.886 -10.782 1.596 1.00 0.00 H new ATOM 0 HA TYR A 212 0.889 -10.465 1.953 1.00 0.00 H new ATOM 0 HB2 TYR A 212 -0.951 -10.753 -0.436 1.00 0.00 H new ATOM 0 HB3 TYR A 212 0.772 -10.522 -0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 212 -1.784 -12.802 0.774 1.00 0.00 H new ATOM 0 HD2 TYR A 212 2.326 -12.320 -0.243 1.00 0.00 H new ATOM 0 HE1 TYR A 212 -1.421 -15.206 1.106 1.00 0.00 H new ATOM 0 HE2 TYR A 212 2.691 -14.725 0.087 1.00 0.00 H new ATOM 0 HH TYR A 212 1.800 -16.673 0.625 1.00 0.00 H new ATOM 447 N GLN A 213 -0.680 -7.925 0.543 1.00 0.00 N ATOM 448 CA GLN A 213 -0.552 -6.514 0.200 1.00 0.00 C ATOM 449 C GLN A 213 -0.325 -5.668 1.449 1.00 0.00 C ATOM 450 O GLN A 213 0.603 -4.861 1.504 1.00 0.00 O ATOM 451 CB GLN A 213 -1.803 -6.031 -0.537 1.00 0.00 C ATOM 452 CG GLN A 213 -2.059 -6.762 -1.845 1.00 0.00 C ATOM 453 CD GLN A 213 -0.926 -6.594 -2.838 1.00 0.00 C ATOM 454 OE1 GLN A 213 -0.368 -7.574 -3.333 1.00 0.00 O ATOM 455 NE2 GLN A 213 -0.579 -5.347 -3.136 1.00 0.00 N ATOM 0 H GLN A 213 -1.611 -8.313 0.392 1.00 0.00 H new ATOM 0 HA GLN A 213 0.313 -6.402 -0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 213 -2.668 -6.155 0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 213 -1.706 -4.964 -0.739 1.00 0.00 H new ATOM 0 HG2 GLN A 213 -2.205 -7.823 -1.642 1.00 0.00 H new ATOM 0 HG3 GLN A 213 -2.984 -6.393 -2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 213 -1.068 -4.564 -2.702 1.00 0.00 H new ATOM 0 HE22 GLN A 213 0.177 -5.172 -3.798 1.00 0.00 H new ATOM 464 N CYS A 214 -1.178 -5.858 2.449 1.00 0.00 N ATOM 465 CA CYS A 214 -1.072 -5.113 3.698 1.00 0.00 C ATOM 466 C CYS A 214 0.388 -4.839 4.045 1.00 0.00 C ATOM 467 O CYS A 214 1.152 -5.743 4.385 1.00 0.00 O ATOM 468 CB CYS A 214 -1.742 -5.886 4.836 1.00 0.00 C ATOM 469 SG CYS A 214 -2.119 -4.872 6.302 1.00 0.00 S ATOM 0 H CYS A 214 -1.951 -6.522 2.419 1.00 0.00 H new ATOM 0 HA CYS A 214 -1.582 -4.158 3.567 1.00 0.00 H new ATOM 0 HB2 CYS A 214 -2.667 -6.328 4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 214 -1.092 -6.709 5.134 1.00 0.00 H new ATOM 0 HG CYS A 214 -3.104 -5.409 6.959 1.00 0.00 H new ATOM 474 N PRO A 215 0.787 -3.561 3.958 1.00 0.00 N ATOM 475 CA PRO A 215 2.158 -3.138 4.260 1.00 0.00 C ATOM 476 C PRO A 215 2.482 -3.240 5.746 1.00 0.00 C ATOM 477 O PRO A 215 3.555 -3.710 6.125 1.00 0.00 O ATOM 478 CB PRO A 215 2.185 -1.676 3.806 1.00 0.00 C ATOM 479 CG PRO A 215 0.767 -1.227 3.890 1.00 0.00 C ATOM 480 CD PRO A 215 -0.069 -2.432 3.559 1.00 0.00 C ATOM 0 HA PRO A 215 2.898 -3.767 3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 215 2.829 -1.074 4.447 1.00 0.00 H new ATOM 0 HB3 PRO A 215 2.570 -1.584 2.790 1.00 0.00 H new ATOM 0 HG2 PRO A 215 0.535 -0.853 4.887 1.00 0.00 H new ATOM 0 HG3 PRO A 215 0.573 -0.414 3.191 1.00 0.00 H new ATOM 0 HD2 PRO A 215 -1.012 -2.430 4.106 1.00 0.00 H new ATOM 0 HD3 PRO A 215 -0.316 -2.470 2.498 1.00 0.00 H new ATOM 488 N ARG A 216 1.549 -2.799 6.583 1.00 0.00 N ATOM 489 CA ARG A 216 1.737 -2.841 8.028 1.00 0.00 C ATOM 490 C ARG A 216 2.541 -4.072 8.436 1.00 0.00 C ATOM 491 O ARG A 216 3.411 -3.998 9.305 1.00 0.00 O ATOM 492 CB ARG A 216 0.383 -2.843 8.740 1.00 0.00 C ATOM 493 CG ARG A 216 -0.246 -1.464 8.857 1.00 0.00 C ATOM 494 CD ARG A 216 0.474 -0.610 9.889 1.00 0.00 C ATOM 495 NE ARG A 216 0.012 -0.885 11.246 1.00 0.00 N ATOM 496 CZ ARG A 216 0.730 -0.626 12.334 1.00 0.00 C ATOM 497 NH1 ARG A 216 1.937 -0.088 12.223 1.00 0.00 N ATOM 498 NH2 ARG A 216 0.241 -0.906 13.535 1.00 0.00 N ATOM 0 H ARG A 216 0.655 -2.408 6.285 1.00 0.00 H new ATOM 0 HA ARG A 216 2.293 -1.951 8.323 1.00 0.00 H new ATOM 0 HB2 ARG A 216 -0.300 -3.500 8.202 1.00 0.00 H new ATOM 0 HB3 ARG A 216 0.508 -3.262 9.738 1.00 0.00 H new ATOM 0 HG2 ARG A 216 -0.218 -0.966 7.888 1.00 0.00 H new ATOM 0 HG3 ARG A 216 -1.296 -1.564 9.134 1.00 0.00 H new ATOM 0 HD2 ARG A 216 1.547 -0.794 9.827 1.00 0.00 H new ATOM 0 HD3 ARG A 216 0.318 0.444 9.660 1.00 0.00 H new ATOM 0 HE ARG A 216 -0.913 -1.299 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 216 2.316 0.128 11.301 1.00 0.00 H new ATOM 0 HH12 ARG A 216 2.486 0.110 13.060 1.00 0.00 H new ATOM 0 HH21 ARG A 216 -0.687 -1.320 13.624 1.00 0.00 H new ATOM 0 HH22 ARG A 216 0.793 -0.707 14.369 1.00 0.00 H new ATOM 512 N LEU A 217 2.244 -5.202 7.804 1.00 0.00 N ATOM 513 CA LEU A 217 2.939 -6.450 8.101 1.00 0.00 C ATOM 514 C LEU A 217 4.430 -6.207 8.310 1.00 0.00 C ATOM 515 O LEU A 217 5.108 -5.604 7.478 1.00 0.00 O ATOM 516 CB LEU A 217 2.728 -7.456 6.969 1.00 0.00 C ATOM 517 CG LEU A 217 3.126 -8.901 7.272 1.00 0.00 C ATOM 518 CD1 LEU A 217 2.061 -9.582 8.117 1.00 0.00 C ATOM 519 CD2 LEU A 217 3.359 -9.672 5.980 1.00 0.00 C ATOM 0 H LEU A 217 1.527 -5.280 7.083 1.00 0.00 H new ATOM 0 HA LEU A 217 2.524 -6.858 9.023 1.00 0.00 H new ATOM 0 HB2 LEU A 217 1.675 -7.442 6.689 1.00 0.00 H new ATOM 0 HB3 LEU A 217 3.294 -7.119 6.100 1.00 0.00 H new ATOM 0 HG LEU A 217 4.057 -8.890 7.838 1.00 0.00 H new ATOM 0 HD11 LEU A 217 2.362 -10.609 8.323 1.00 0.00 H new ATOM 0 HD12 LEU A 217 1.943 -9.043 9.057 1.00 0.00 H new ATOM 0 HD13 LEU A 217 1.114 -9.582 7.578 1.00 0.00 H new ATOM 0 HD21 LEU A 217 3.641 -10.698 6.215 1.00 0.00 H new ATOM 0 HD22 LEU A 217 2.444 -9.674 5.387 1.00 0.00 H new ATOM 0 HD23 LEU A 217 4.158 -9.197 5.412 1.00 0.00 H new ATOM 531 N PRO A 218 4.955 -6.688 9.447 1.00 0.00 N ATOM 532 CA PRO A 218 6.372 -6.538 9.790 1.00 0.00 C ATOM 533 C PRO A 218 7.277 -7.382 8.900 1.00 0.00 C ATOM 534 O PRO A 218 6.983 -8.545 8.624 1.00 0.00 O ATOM 535 CB PRO A 218 6.440 -7.027 11.239 1.00 0.00 C ATOM 536 CG PRO A 218 5.286 -7.958 11.378 1.00 0.00 C ATOM 537 CD PRO A 218 4.205 -7.416 10.484 1.00 0.00 C ATOM 0 HA PRO A 218 6.717 -5.513 9.655 1.00 0.00 H new ATOM 0 HB2 PRO A 218 7.384 -7.533 11.442 1.00 0.00 H new ATOM 0 HB3 PRO A 218 6.366 -6.197 11.941 1.00 0.00 H new ATOM 0 HG2 PRO A 218 5.564 -8.970 11.084 1.00 0.00 H new ATOM 0 HG3 PRO A 218 4.948 -8.008 12.413 1.00 0.00 H new ATOM 0 HD2 PRO A 218 3.599 -8.215 10.056 1.00 0.00 H new ATOM 0 HD3 PRO A 218 3.527 -6.757 11.027 1.00 0.00 H new ATOM 545 N VAL A 219 8.380 -6.790 8.453 1.00 0.00 N ATOM 546 CA VAL A 219 9.329 -7.489 7.595 1.00 0.00 C ATOM 547 C VAL A 219 10.761 -7.273 8.070 1.00 0.00 C ATOM 548 O VAL A 219 11.152 -6.157 8.410 1.00 0.00 O ATOM 549 CB VAL A 219 9.210 -7.024 6.131 1.00 0.00 C ATOM 550 CG1 VAL A 219 7.858 -7.414 5.555 1.00 0.00 C ATOM 551 CG2 VAL A 219 9.428 -5.521 6.030 1.00 0.00 C ATOM 0 H VAL A 219 8.638 -5.828 8.671 1.00 0.00 H new ATOM 0 HA VAL A 219 9.086 -8.550 7.653 1.00 0.00 H new ATOM 0 HB VAL A 219 9.984 -7.521 5.546 1.00 0.00 H new ATOM 0 HG11 VAL A 219 7.792 -7.077 4.520 1.00 0.00 H new ATOM 0 HG12 VAL A 219 7.746 -8.498 5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 219 7.065 -6.947 6.139 1.00 0.00 H new ATOM 0 HG21 VAL A 219 9.340 -5.210 4.989 1.00 0.00 H new ATOM 0 HG22 VAL A 219 8.678 -5.004 6.628 1.00 0.00 H new ATOM 0 HG23 VAL A 219 10.422 -5.272 6.401 1.00 0.00 H new ATOM 561 N ALA A 220 11.540 -8.350 8.090 1.00 0.00 N ATOM 562 CA ALA A 220 12.931 -8.279 8.522 1.00 0.00 C ATOM 563 C ALA A 220 13.745 -7.373 7.603 1.00 0.00 C ATOM 564 O ALA A 220 13.630 -7.448 6.380 1.00 0.00 O ATOM 565 CB ALA A 220 13.541 -9.672 8.568 1.00 0.00 C ATOM 0 H ALA A 220 11.232 -9.282 7.812 1.00 0.00 H new ATOM 0 HA ALA A 220 12.953 -7.851 9.524 1.00 0.00 H new ATOM 0 HB1 ALA A 220 14.579 -9.604 8.892 1.00 0.00 H new ATOM 0 HB2 ALA A 220 12.982 -10.291 9.270 1.00 0.00 H new ATOM 0 HB3 ALA A 220 13.499 -10.120 7.575 1.00 0.00 H new ATOM 571 N CYS A 221 14.566 -6.517 8.201 1.00 0.00 N ATOM 572 CA CYS A 221 15.399 -5.595 7.438 1.00 0.00 C ATOM 573 C CYS A 221 16.327 -6.354 6.494 1.00 0.00 C ATOM 574 O CYS A 221 17.002 -7.308 6.881 1.00 0.00 O ATOM 575 CB CYS A 221 16.222 -4.717 8.382 1.00 0.00 C ATOM 576 SG CYS A 221 17.135 -3.380 7.547 1.00 0.00 S ATOM 0 H CYS A 221 14.673 -6.442 9.213 1.00 0.00 H new ATOM 0 HA CYS A 221 14.743 -4.961 6.842 1.00 0.00 H new ATOM 0 HB2 CYS A 221 15.557 -4.279 9.126 1.00 0.00 H new ATOM 0 HB3 CYS A 221 16.931 -5.346 8.920 1.00 0.00 H new ATOM 0 HG CYS A 221 16.870 -2.246 8.125 1.00 0.00 H new ATOM 581 N PRO A 222 16.361 -5.923 5.224 1.00 0.00 N ATOM 582 CA PRO A 222 17.202 -6.547 4.199 1.00 0.00 C ATOM 583 C PRO A 222 18.687 -6.288 4.431 1.00 0.00 C ATOM 584 O PRO A 222 19.537 -6.795 3.699 1.00 0.00 O ATOM 585 CB PRO A 222 16.739 -5.876 2.903 1.00 0.00 C ATOM 586 CG PRO A 222 16.185 -4.562 3.334 1.00 0.00 C ATOM 587 CD PRO A 222 15.583 -4.792 4.693 1.00 0.00 C ATOM 0 HA PRO A 222 17.100 -7.632 4.194 1.00 0.00 H new ATOM 0 HB2 PRO A 222 17.567 -5.747 2.206 1.00 0.00 H new ATOM 0 HB3 PRO A 222 15.985 -6.476 2.394 1.00 0.00 H new ATOM 0 HG2 PRO A 222 16.967 -3.804 3.377 1.00 0.00 H new ATOM 0 HG3 PRO A 222 15.434 -4.205 2.630 1.00 0.00 H new ATOM 0 HD2 PRO A 222 15.673 -3.910 5.327 1.00 0.00 H new ATOM 0 HD3 PRO A 222 14.521 -5.030 4.627 1.00 0.00 H new ATOM 595 N ASN A 223 18.993 -5.496 5.453 1.00 0.00 N ATOM 596 CA ASN A 223 20.376 -5.170 5.781 1.00 0.00 C ATOM 597 C ASN A 223 20.838 -5.940 7.015 1.00 0.00 C ATOM 598 O ASN A 223 22.028 -5.969 7.330 1.00 0.00 O ATOM 599 CB ASN A 223 20.525 -3.666 6.019 1.00 0.00 C ATOM 600 CG ASN A 223 20.533 -2.874 4.726 1.00 0.00 C ATOM 601 OD1 ASN A 223 21.107 -3.305 3.725 1.00 0.00 O ATOM 602 ND2 ASN A 223 19.896 -1.710 4.742 1.00 0.00 N ATOM 0 H ASN A 223 18.302 -5.068 6.069 1.00 0.00 H new ATOM 0 HA ASN A 223 21.002 -5.461 4.937 1.00 0.00 H new ATOM 0 HB2 ASN A 223 19.707 -3.318 6.650 1.00 0.00 H new ATOM 0 HB3 ASN A 223 21.450 -3.477 6.563 1.00 0.00 H new ATOM 0 HD21 ASN A 223 19.868 -1.132 3.902 1.00 0.00 H new ATOM 0 HD22 ASN A 223 19.434 -1.393 5.594 1.00 0.00 H new ATOM 609 N GLN A 224 19.890 -6.562 7.708 1.00 0.00 N ATOM 610 CA GLN A 224 20.200 -7.331 8.907 1.00 0.00 C ATOM 611 C GLN A 224 20.990 -6.490 9.904 1.00 0.00 C ATOM 612 O GLN A 224 22.059 -6.893 10.363 1.00 0.00 O ATOM 613 CB GLN A 224 20.993 -8.588 8.541 1.00 0.00 C ATOM 614 CG GLN A 224 20.287 -9.480 7.533 1.00 0.00 C ATOM 615 CD GLN A 224 19.227 -10.357 8.172 1.00 0.00 C ATOM 616 OE1 GLN A 224 18.785 -10.100 9.292 1.00 0.00 O ATOM 617 NE2 GLN A 224 18.814 -11.400 7.461 1.00 0.00 N ATOM 0 H GLN A 224 18.901 -6.548 7.460 1.00 0.00 H new ATOM 0 HA GLN A 224 19.260 -7.625 9.373 1.00 0.00 H new ATOM 0 HB2 GLN A 224 21.961 -8.292 8.137 1.00 0.00 H new ATOM 0 HB3 GLN A 224 21.188 -9.161 9.447 1.00 0.00 H new ATOM 0 HG2 GLN A 224 19.825 -8.859 6.765 1.00 0.00 H new ATOM 0 HG3 GLN A 224 21.023 -10.111 7.034 1.00 0.00 H new ATOM 0 HE21 GLN A 224 19.208 -11.575 6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 224 18.103 -12.026 7.839 1.00 0.00 H new ATOM 626 N CYS A 225 20.457 -5.319 10.236 1.00 0.00 N ATOM 627 CA CYS A 225 21.111 -4.420 11.179 1.00 0.00 C ATOM 628 C CYS A 225 20.933 -4.911 12.612 1.00 0.00 C ATOM 629 O CYS A 225 21.892 -4.978 13.380 1.00 0.00 O ATOM 630 CB CYS A 225 20.549 -3.004 11.039 1.00 0.00 C ATOM 631 SG CYS A 225 18.729 -2.925 11.023 1.00 0.00 S ATOM 0 H CYS A 225 19.573 -4.970 9.865 1.00 0.00 H new ATOM 0 HA CYS A 225 22.176 -4.405 10.949 1.00 0.00 H new ATOM 0 HB2 CYS A 225 20.921 -2.394 11.862 1.00 0.00 H new ATOM 0 HB3 CYS A 225 20.929 -2.563 10.118 1.00 0.00 H new ATOM 0 HG CYS A 225 18.297 -3.109 9.811 1.00 0.00 H new ATOM 636 N GLY A 226 19.698 -5.253 12.966 1.00 0.00 N ATOM 637 CA GLY A 226 19.416 -5.734 14.306 1.00 0.00 C ATOM 638 C GLY A 226 17.989 -5.454 14.734 1.00 0.00 C ATOM 639 O GLY A 226 17.410 -6.204 15.520 1.00 0.00 O ATOM 0 H GLY A 226 18.887 -5.206 12.349 1.00 0.00 H new ATOM 0 HA2 GLY A 226 19.601 -6.807 14.350 1.00 0.00 H new ATOM 0 HA3 GLY A 226 20.102 -5.263 15.010 1.00 0.00 H new ATOM 643 N VAL A 227 17.419 -4.370 14.216 1.00 0.00 N ATOM 644 CA VAL A 227 16.051 -3.992 14.550 1.00 0.00 C ATOM 645 C VAL A 227 15.131 -5.208 14.555 1.00 0.00 C ATOM 646 O VAL A 227 14.096 -5.213 15.220 1.00 0.00 O ATOM 647 CB VAL A 227 15.500 -2.949 13.560 1.00 0.00 C ATOM 648 CG1 VAL A 227 15.589 -3.468 12.133 1.00 0.00 C ATOM 649 CG2 VAL A 227 14.066 -2.584 13.915 1.00 0.00 C ATOM 0 H VAL A 227 17.884 -3.738 13.564 1.00 0.00 H new ATOM 0 HA VAL A 227 16.077 -3.556 15.549 1.00 0.00 H new ATOM 0 HB VAL A 227 16.109 -2.048 13.632 1.00 0.00 H new ATOM 0 HG11 VAL A 227 15.195 -2.718 11.448 1.00 0.00 H new ATOM 0 HG12 VAL A 227 16.630 -3.675 11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 227 15.006 -4.384 12.042 1.00 0.00 H new ATOM 0 HG21 VAL A 227 13.692 -1.846 13.205 1.00 0.00 H new ATOM 0 HG22 VAL A 227 13.442 -3.477 13.872 1.00 0.00 H new ATOM 0 HG23 VAL A 227 14.035 -2.167 14.922 1.00 0.00 H new ATOM 659 N GLY A 228 15.517 -6.239 13.809 1.00 0.00 N ATOM 660 CA GLY A 228 14.715 -7.447 13.743 1.00 0.00 C ATOM 661 C GLY A 228 13.606 -7.351 12.714 1.00 0.00 C ATOM 662 O GLY A 228 13.806 -7.672 11.542 1.00 0.00 O ATOM 0 H GLY A 228 16.370 -6.259 13.250 1.00 0.00 H new ATOM 0 HA2 GLY A 228 15.358 -8.294 13.502 1.00 0.00 H new ATOM 0 HA3 GLY A 228 14.281 -7.645 14.723 1.00 0.00 H new ATOM 666 N THR A 229 12.431 -6.909 13.152 1.00 0.00 N ATOM 667 CA THR A 229 11.286 -6.775 12.261 1.00 0.00 C ATOM 668 C THR A 229 10.796 -5.332 12.210 1.00 0.00 C ATOM 669 O THR A 229 10.926 -4.587 13.181 1.00 0.00 O ATOM 670 CB THR A 229 10.123 -7.684 12.701 1.00 0.00 C ATOM 671 OG1 THR A 229 9.849 -7.492 14.093 1.00 0.00 O ATOM 672 CG2 THR A 229 10.452 -9.147 12.441 1.00 0.00 C ATOM 0 H THR A 229 12.248 -6.638 14.118 1.00 0.00 H new ATOM 0 HA THR A 229 11.620 -7.079 11.269 1.00 0.00 H new ATOM 0 HB THR A 229 9.242 -7.416 12.118 1.00 0.00 H new ATOM 0 HG1 THR A 229 9.107 -8.073 14.364 1.00 0.00 H new ATOM 0 HG21 THR A 229 9.616 -9.770 12.760 1.00 0.00 H new ATOM 0 HG22 THR A 229 10.631 -9.296 11.376 1.00 0.00 H new ATOM 0 HG23 THR A 229 11.345 -9.424 13.001 1.00 0.00 H new ATOM 680 N VAL A 230 10.231 -4.944 11.071 1.00 0.00 N ATOM 681 CA VAL A 230 9.719 -3.590 10.894 1.00 0.00 C ATOM 682 C VAL A 230 8.682 -3.536 9.778 1.00 0.00 C ATOM 683 O VAL A 230 8.886 -4.091 8.699 1.00 0.00 O ATOM 684 CB VAL A 230 10.854 -2.599 10.573 1.00 0.00 C ATOM 685 CG1 VAL A 230 11.530 -2.968 9.262 1.00 0.00 C ATOM 686 CG2 VAL A 230 10.319 -1.175 10.525 1.00 0.00 C ATOM 0 H VAL A 230 10.116 -5.548 10.257 1.00 0.00 H new ATOM 0 HA VAL A 230 9.251 -3.303 11.835 1.00 0.00 H new ATOM 0 HB VAL A 230 11.599 -2.657 11.366 1.00 0.00 H new ATOM 0 HG11 VAL A 230 12.329 -2.257 9.052 1.00 0.00 H new ATOM 0 HG12 VAL A 230 11.948 -3.972 9.338 1.00 0.00 H new ATOM 0 HG13 VAL A 230 10.798 -2.940 8.455 1.00 0.00 H new ATOM 0 HG21 VAL A 230 11.134 -0.488 10.297 1.00 0.00 H new ATOM 0 HG22 VAL A 230 9.554 -1.100 9.752 1.00 0.00 H new ATOM 0 HG23 VAL A 230 9.886 -0.916 11.491 1.00 0.00 H new ATOM 696 N ALA A 231 7.567 -2.864 10.046 1.00 0.00 N ATOM 697 CA ALA A 231 6.498 -2.735 9.064 1.00 0.00 C ATOM 698 C ALA A 231 7.057 -2.405 7.684 1.00 0.00 C ATOM 699 O ALA A 231 8.020 -1.648 7.558 1.00 0.00 O ATOM 700 CB ALA A 231 5.505 -1.669 9.502 1.00 0.00 C ATOM 0 H ALA A 231 7.381 -2.401 10.935 1.00 0.00 H new ATOM 0 HA ALA A 231 5.981 -3.692 8.998 1.00 0.00 H new ATOM 0 HB1 ALA A 231 4.712 -1.583 8.759 1.00 0.00 H new ATOM 0 HB2 ALA A 231 5.073 -1.947 10.463 1.00 0.00 H new ATOM 0 HB3 ALA A 231 6.017 -0.712 9.598 1.00 0.00 H new ATOM 706 N ARG A 232 6.448 -2.978 6.651 1.00 0.00 N ATOM 707 CA ARG A 232 6.886 -2.746 5.280 1.00 0.00 C ATOM 708 C ARG A 232 6.927 -1.253 4.968 1.00 0.00 C ATOM 709 O ARG A 232 7.920 -0.746 4.448 1.00 0.00 O ATOM 710 CB ARG A 232 5.956 -3.459 4.297 1.00 0.00 C ATOM 711 CG ARG A 232 6.352 -3.275 2.841 1.00 0.00 C ATOM 712 CD ARG A 232 5.709 -4.327 1.952 1.00 0.00 C ATOM 713 NE ARG A 232 6.493 -5.559 1.907 1.00 0.00 N ATOM 714 CZ ARG A 232 5.991 -6.737 1.551 1.00 0.00 C ATOM 715 NH1 ARG A 232 4.714 -6.842 1.212 1.00 0.00 N ATOM 716 NH2 ARG A 232 6.768 -7.812 1.535 1.00 0.00 N ATOM 0 H ARG A 232 5.649 -3.607 6.738 1.00 0.00 H new ATOM 0 HA ARG A 232 7.893 -3.149 5.173 1.00 0.00 H new ATOM 0 HB2 ARG A 232 5.943 -4.524 4.529 1.00 0.00 H new ATOM 0 HB3 ARG A 232 4.940 -3.090 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 232 6.055 -2.282 2.505 1.00 0.00 H new ATOM 0 HG3 ARG A 232 7.437 -3.332 2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 232 4.707 -4.548 2.319 1.00 0.00 H new ATOM 0 HD3 ARG A 232 5.599 -3.930 0.943 1.00 0.00 H new ATOM 0 HE ARG A 232 7.479 -5.513 2.163 1.00 0.00 H new ATOM 0 HH11 ARG A 232 4.114 -6.017 1.224 1.00 0.00 H new ATOM 0 HH12 ARG A 232 4.332 -7.747 0.939 1.00 0.00 H new ATOM 0 HH21 ARG A 232 7.751 -7.735 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 232 6.382 -8.716 1.262 1.00 0.00 H new ATOM 730 N GLU A 233 5.841 -0.557 5.288 1.00 0.00 N ATOM 731 CA GLU A 233 5.753 0.877 5.040 1.00 0.00 C ATOM 732 C GLU A 233 6.566 1.658 6.068 1.00 0.00 C ATOM 733 O GLU A 233 6.520 2.888 6.107 1.00 0.00 O ATOM 734 CB GLU A 233 4.293 1.335 5.073 1.00 0.00 C ATOM 735 CG GLU A 233 3.668 1.276 6.457 1.00 0.00 C ATOM 736 CD GLU A 233 2.418 2.127 6.569 1.00 0.00 C ATOM 737 OE1 GLU A 233 1.401 1.773 5.937 1.00 0.00 O ATOM 738 OE2 GLU A 233 2.457 3.148 7.288 1.00 0.00 O ATOM 0 H GLU A 233 5.010 -0.963 5.719 1.00 0.00 H new ATOM 0 HA GLU A 233 6.165 1.074 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 233 4.233 2.357 4.700 1.00 0.00 H new ATOM 0 HB3 GLU A 233 3.710 0.713 4.394 1.00 0.00 H new ATOM 0 HG2 GLU A 233 3.422 0.242 6.697 1.00 0.00 H new ATOM 0 HG3 GLU A 233 4.397 1.609 7.195 1.00 0.00 H new ATOM 745 N ASP A 234 7.308 0.935 6.900 1.00 0.00 N ATOM 746 CA ASP A 234 8.131 1.559 7.929 1.00 0.00 C ATOM 747 C ASP A 234 9.614 1.360 7.633 1.00 0.00 C ATOM 748 O ASP A 234 10.470 2.026 8.218 1.00 0.00 O ATOM 749 CB ASP A 234 7.791 0.981 9.304 1.00 0.00 C ATOM 750 CG ASP A 234 6.613 1.683 9.951 1.00 0.00 C ATOM 751 OD1 ASP A 234 6.620 2.931 10.002 1.00 0.00 O ATOM 752 OD2 ASP A 234 5.684 0.983 10.406 1.00 0.00 O ATOM 0 H ASP A 234 7.356 -0.084 6.882 1.00 0.00 H new ATOM 0 HA ASP A 234 7.919 2.628 7.930 1.00 0.00 H new ATOM 0 HB2 ASP A 234 7.567 -0.081 9.203 1.00 0.00 H new ATOM 0 HB3 ASP A 234 8.661 1.063 9.955 1.00 0.00 H new ATOM 757 N LEU A 235 9.912 0.440 6.722 1.00 0.00 N ATOM 758 CA LEU A 235 11.293 0.152 6.348 1.00 0.00 C ATOM 759 C LEU A 235 11.960 1.382 5.741 1.00 0.00 C ATOM 760 O LEU A 235 13.105 1.713 6.051 1.00 0.00 O ATOM 761 CB LEU A 235 11.341 -1.010 5.355 1.00 0.00 C ATOM 762 CG LEU A 235 12.631 -1.831 5.345 1.00 0.00 C ATOM 763 CD1 LEU A 235 12.794 -2.586 6.655 1.00 0.00 C ATOM 764 CD2 LEU A 235 12.640 -2.795 4.167 1.00 0.00 C ATOM 0 H LEU A 235 9.216 -0.119 6.229 1.00 0.00 H new ATOM 0 HA LEU A 235 11.838 -0.126 7.250 1.00 0.00 H new ATOM 0 HB2 LEU A 235 10.509 -1.680 5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 235 11.179 -0.613 4.353 1.00 0.00 H new ATOM 0 HG LEU A 235 13.473 -1.148 5.237 1.00 0.00 H new ATOM 0 HD11 LEU A 235 13.717 -3.164 6.629 1.00 0.00 H new ATOM 0 HD12 LEU A 235 12.833 -1.876 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 235 11.948 -3.259 6.795 1.00 0.00 H new ATOM 0 HD21 LEU A 235 13.565 -3.371 4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 235 11.790 -3.473 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 235 12.571 -2.232 3.236 1.00 0.00 H new ATOM 776 N PRO A 236 11.229 2.078 4.858 1.00 0.00 N ATOM 777 CA PRO A 236 11.729 3.284 4.192 1.00 0.00 C ATOM 778 C PRO A 236 12.364 4.266 5.171 1.00 0.00 C ATOM 779 O PRO A 236 13.564 4.531 5.109 1.00 0.00 O ATOM 780 CB PRO A 236 10.471 3.892 3.567 1.00 0.00 C ATOM 781 CG PRO A 236 9.552 2.736 3.365 1.00 0.00 C ATOM 782 CD PRO A 236 9.857 1.741 4.443 1.00 0.00 C ATOM 0 HA PRO A 236 12.513 3.055 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 236 10.026 4.642 4.222 1.00 0.00 H new ATOM 0 HB3 PRO A 236 10.698 4.387 2.623 1.00 0.00 H new ATOM 0 HG2 PRO A 236 8.512 3.056 3.419 1.00 0.00 H new ATOM 0 HG3 PRO A 236 9.699 2.294 2.379 1.00 0.00 H new ATOM 0 HD2 PRO A 236 9.156 1.825 5.274 1.00 0.00 H new ATOM 0 HD3 PRO A 236 9.792 0.718 4.073 1.00 0.00 H new ATOM 790 N GLY A 237 11.551 4.803 6.075 1.00 0.00 N ATOM 791 CA GLY A 237 12.052 5.750 7.055 1.00 0.00 C ATOM 792 C GLY A 237 13.203 5.189 7.866 1.00 0.00 C ATOM 793 O GLY A 237 14.123 5.919 8.238 1.00 0.00 O ATOM 0 H GLY A 237 10.554 4.599 6.147 1.00 0.00 H new ATOM 0 HA2 GLY A 237 12.378 6.657 6.546 1.00 0.00 H new ATOM 0 HA3 GLY A 237 11.243 6.035 7.727 1.00 0.00 H new ATOM 797 N HIS A 238 13.153 3.890 8.143 1.00 0.00 N ATOM 798 CA HIS A 238 14.200 3.232 8.917 1.00 0.00 C ATOM 799 C HIS A 238 15.523 3.241 8.158 1.00 0.00 C ATOM 800 O HIS A 238 16.514 3.808 8.623 1.00 0.00 O ATOM 801 CB HIS A 238 13.795 1.794 9.243 1.00 0.00 C ATOM 802 CG HIS A 238 14.952 0.913 9.601 1.00 0.00 C ATOM 803 ND1 HIS A 238 15.357 0.693 10.900 1.00 0.00 N ATOM 804 CD2 HIS A 238 15.791 0.193 8.820 1.00 0.00 C ATOM 805 CE1 HIS A 238 16.396 -0.123 10.903 1.00 0.00 C ATOM 806 NE2 HIS A 238 16.679 -0.441 9.653 1.00 0.00 N ATOM 0 H HIS A 238 12.399 3.272 7.843 1.00 0.00 H new ATOM 0 HA HIS A 238 14.332 3.784 9.848 1.00 0.00 H new ATOM 0 HB2 HIS A 238 13.086 1.804 10.071 1.00 0.00 H new ATOM 0 HB3 HIS A 238 13.276 1.368 8.384 1.00 0.00 H new ATOM 0 HD2 HIS A 238 15.766 0.129 7.742 1.00 0.00 H new ATOM 0 HE1 HIS A 238 16.924 -0.471 11.779 1.00 0.00 H new ATOM 0 HE2 HIS A 238 17.435 -1.058 9.355 1.00 0.00 H new ATOM 814 N LEU A 239 15.534 2.609 6.990 1.00 0.00 N ATOM 815 CA LEU A 239 16.736 2.544 6.166 1.00 0.00 C ATOM 816 C LEU A 239 17.360 3.926 6.002 1.00 0.00 C ATOM 817 O LEU A 239 18.583 4.068 5.979 1.00 0.00 O ATOM 818 CB LEU A 239 16.406 1.954 4.794 1.00 0.00 C ATOM 819 CG LEU A 239 16.077 0.461 4.766 1.00 0.00 C ATOM 820 CD1 LEU A 239 15.438 0.080 3.440 1.00 0.00 C ATOM 821 CD2 LEU A 239 17.331 -0.366 5.013 1.00 0.00 C ATOM 0 H LEU A 239 14.724 2.134 6.592 1.00 0.00 H new ATOM 0 HA LEU A 239 17.456 1.899 6.668 1.00 0.00 H new ATOM 0 HB2 LEU A 239 15.558 2.500 4.380 1.00 0.00 H new ATOM 0 HB3 LEU A 239 17.253 2.131 4.131 1.00 0.00 H new ATOM 0 HG LEU A 239 15.364 0.251 5.563 1.00 0.00 H new ATOM 0 HD11 LEU A 239 15.211 -0.986 3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 239 14.517 0.647 3.303 1.00 0.00 H new ATOM 0 HD13 LEU A 239 16.127 0.305 2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 239 17.078 -1.426 4.990 1.00 0.00 H new ATOM 0 HD22 LEU A 239 18.067 -0.151 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 239 17.747 -0.114 5.988 1.00 0.00 H new ATOM 833 N LYS A 240 16.512 4.943 5.891 1.00 0.00 N ATOM 834 CA LYS A 240 16.979 6.315 5.732 1.00 0.00 C ATOM 835 C LYS A 240 18.020 6.661 6.792 1.00 0.00 C ATOM 836 O LYS A 240 19.192 6.872 6.479 1.00 0.00 O ATOM 837 CB LYS A 240 15.802 7.289 5.821 1.00 0.00 C ATOM 838 CG LYS A 240 15.107 7.527 4.491 1.00 0.00 C ATOM 839 CD LYS A 240 13.929 8.475 4.639 1.00 0.00 C ATOM 840 CE LYS A 240 14.375 9.928 4.597 1.00 0.00 C ATOM 841 NZ LYS A 240 14.522 10.423 3.200 1.00 0.00 N ATOM 0 H LYS A 240 15.497 4.843 5.908 1.00 0.00 H new ATOM 0 HA LYS A 240 17.443 6.404 4.750 1.00 0.00 H new ATOM 0 HB2 LYS A 240 15.076 6.904 6.537 1.00 0.00 H new ATOM 0 HB3 LYS A 240 16.159 8.242 6.211 1.00 0.00 H new ATOM 0 HG2 LYS A 240 15.819 7.939 3.776 1.00 0.00 H new ATOM 0 HG3 LYS A 240 14.761 6.576 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 240 13.210 8.291 3.841 1.00 0.00 H new ATOM 0 HD3 LYS A 240 13.417 8.277 5.581 1.00 0.00 H new ATOM 0 HE2 LYS A 240 13.650 10.546 5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 240 15.325 10.032 5.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 240 14.827 11.417 3.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 240 15.232 9.850 2.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 240 13.609 10.348 2.707 1.00 0.00 H new ATOM 855 N ASP A 241 17.585 6.716 8.046 1.00 0.00 N ATOM 856 CA ASP A 241 18.480 7.034 9.152 1.00 0.00 C ATOM 857 C ASP A 241 18.670 5.825 10.063 1.00 0.00 C ATOM 858 O ASP A 241 19.793 5.373 10.286 1.00 0.00 O ATOM 859 CB ASP A 241 17.932 8.213 9.957 1.00 0.00 C ATOM 860 CG ASP A 241 16.511 7.980 10.431 1.00 0.00 C ATOM 861 OD1 ASP A 241 15.598 7.957 9.578 1.00 0.00 O ATOM 862 OD2 ASP A 241 16.311 7.821 11.653 1.00 0.00 O ATOM 0 H ASP A 241 16.618 6.544 8.322 1.00 0.00 H new ATOM 0 HA ASP A 241 19.449 7.308 8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 241 18.575 8.391 10.819 1.00 0.00 H new ATOM 0 HB3 ASP A 241 17.964 9.114 9.344 1.00 0.00 H new ATOM 867 N SER A 242 17.564 5.306 10.587 1.00 0.00 N ATOM 868 CA SER A 242 17.608 4.152 11.478 1.00 0.00 C ATOM 869 C SER A 242 18.736 3.204 11.082 1.00 0.00 C ATOM 870 O SER A 242 19.718 3.050 11.809 1.00 0.00 O ATOM 871 CB SER A 242 16.271 3.411 11.453 1.00 0.00 C ATOM 872 OG SER A 242 16.129 2.577 12.590 1.00 0.00 O ATOM 0 H SER A 242 16.626 5.666 10.410 1.00 0.00 H new ATOM 0 HA SER A 242 17.797 4.511 12.490 1.00 0.00 H new ATOM 0 HB2 SER A 242 15.453 4.131 11.422 1.00 0.00 H new ATOM 0 HB3 SER A 242 16.202 2.810 10.546 1.00 0.00 H new ATOM 0 HG SER A 242 15.575 1.802 12.360 1.00 0.00 H new ATOM 878 N CYS A 243 18.588 2.570 9.924 1.00 0.00 N ATOM 879 CA CYS A 243 19.592 1.635 9.429 1.00 0.00 C ATOM 880 C CYS A 243 20.892 2.361 9.094 1.00 0.00 C ATOM 881 O CYS A 243 20.929 3.588 9.022 1.00 0.00 O ATOM 882 CB CYS A 243 19.070 0.902 8.192 1.00 0.00 C ATOM 883 SG CYS A 243 19.738 -0.780 7.988 1.00 0.00 S ATOM 0 H CYS A 243 17.782 2.687 9.310 1.00 0.00 H new ATOM 0 HA CYS A 243 19.795 0.908 10.215 1.00 0.00 H new ATOM 0 HB2 CYS A 243 17.983 0.845 8.248 1.00 0.00 H new ATOM 0 HB3 CYS A 243 19.313 1.488 7.306 1.00 0.00 H new ATOM 0 HG CYS A 243 18.758 -1.622 7.843 1.00 0.00 H new