USER MOD reduce.3.24.130724 H: found=0, std=0, add=535, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 535 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 162 GLN : amide:sc= -0.258 K(o=-0.61,f=-2.3) USER MOD Set 1.2: A 217 MET CE :methyl -112:sc= -0.352 (180deg=0) USER MOD Set 2.1: A 201 HIS : no HE2:sc= -2.44 X(o=-2.4,f=-2.7) USER MOD Set 2.2: A 205 GLN : amide:sc= 0 X(o=-2.4,f=-2.7) USER MOD Single : A 152 LYS NZ :NH3+ 147:sc= -0.565 (180deg=-2.01!) USER MOD Single : A 157 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 159 ASN : amide:sc= -0.771 X(o=-0.77,f=-1.3) USER MOD Single : A 160 LYS NZ :NH3+ 146:sc= 1.05 (180deg=0.213) USER MOD Single : A 161 GLN : amide:sc= -0.599 K(o=-0.6,f=-1.3) USER MOD Single : A 163 SER OG : rot -56:sc= 0.772 USER MOD Single : A 176 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 180 CYS SG : rot 180:sc=-0.00948 USER MOD Single : A 181 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 190 SER OG : rot 36:sc= 0.00794 USER MOD Single : A 191 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 193 CYS SG : rot -82:sc= -1.38 USER MOD Single : A 197 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 198 TYR OH : rot -24:sc= -1.57! USER MOD Single : A 199 SER OG : rot 180:sc= 0 USER MOD Single : A 200 SER OG : rot -111:sc= 0.368 USER MOD Single : A 209 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 212 HIS : no HE2:sc= -1.38 K(o=-1.4,f=-10!) USER MOD Single : A 214 SER OG : rot 180:sc= 0 USER MOD Single : A 215 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 216 THR OG1 : rot 180:sc= -0.405 USER MOD Single : A 221 SER OG : rot 180:sc= 0 USER MOD Single : A 222 SER OG : rot 180:sc= 0 USER MOD Single : A 223 SER OG : rot 180:sc= 0.0121 USER MOD Single : A 227 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 217 N LYS A 152 6.038 2.157 2.832 1.00 0.00 N ATOM 218 CA LYS A 152 4.691 2.654 2.574 1.00 0.00 C ATOM 219 C LYS A 152 4.073 1.952 1.370 1.00 0.00 C ATOM 220 O LYS A 152 4.779 1.547 0.444 1.00 0.00 O ATOM 221 CB LYS A 152 4.720 4.166 2.337 1.00 0.00 C ATOM 222 CG LYS A 152 3.344 4.778 2.144 1.00 0.00 C ATOM 223 CD LYS A 152 3.423 6.285 1.968 1.00 0.00 C ATOM 224 CE LYS A 152 3.384 7.005 3.307 1.00 0.00 C ATOM 225 NZ LYS A 152 4.687 6.917 4.023 1.00 0.00 N ATOM 0 HA LYS A 152 4.078 2.441 3.450 1.00 0.00 H new ATOM 0 HB2 LYS A 152 5.207 4.649 3.184 1.00 0.00 H new ATOM 0 HB3 LYS A 152 5.328 4.376 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 152 2.866 4.333 1.271 1.00 0.00 H new ATOM 0 HG3 LYS A 152 2.717 4.544 3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 152 4.342 6.543 1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 152 2.594 6.624 1.347 1.00 0.00 H new ATOM 0 HE2 LYS A 152 3.127 8.052 3.149 1.00 0.00 H new ATOM 0 HE3 LYS A 152 2.599 6.574 3.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 152 4.840 7.786 4.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 152 4.676 6.098 4.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 152 5.456 6.805 3.332 1.00 0.00 H new ATOM 239 N LEU A 153 2.752 1.811 1.386 1.00 0.00 N ATOM 240 CA LEU A 153 2.039 1.158 0.294 1.00 0.00 C ATOM 241 C LEU A 153 0.973 2.081 -0.289 1.00 0.00 C ATOM 242 O LEU A 153 0.098 2.567 0.429 1.00 0.00 O ATOM 243 CB LEU A 153 1.393 -0.139 0.783 1.00 0.00 C ATOM 244 CG LEU A 153 2.348 -1.301 1.062 1.00 0.00 C ATOM 245 CD1 LEU A 153 1.646 -2.389 1.859 1.00 0.00 C ATOM 246 CD2 LEU A 153 2.900 -1.862 -0.241 1.00 0.00 C ATOM 0 H LEU A 153 2.153 2.140 2.143 1.00 0.00 H new ATOM 0 HA LEU A 153 2.760 0.925 -0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 153 0.838 0.077 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 153 0.666 -0.463 0.038 1.00 0.00 H new ATOM 0 HG LEU A 153 3.182 -0.927 1.655 1.00 0.00 H new ATOM 0 HD11 LEU A 153 2.341 -3.207 2.048 1.00 0.00 H new ATOM 0 HD12 LEU A 153 1.301 -1.979 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 153 0.792 -2.761 1.293 1.00 0.00 H new ATOM 0 HD21 LEU A 153 3.577 -2.688 -0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 153 2.078 -2.221 -0.860 1.00 0.00 H new ATOM 0 HD23 LEU A 153 3.441 -1.080 -0.774 1.00 0.00 H new ATOM 258 N PHE A 154 1.052 2.318 -1.594 1.00 0.00 N ATOM 259 CA PHE A 154 0.093 3.182 -2.273 1.00 0.00 C ATOM 260 C PHE A 154 -1.047 2.364 -2.872 1.00 0.00 C ATOM 261 O PHE A 154 -0.855 1.619 -3.833 1.00 0.00 O ATOM 262 CB PHE A 154 0.790 3.986 -3.373 1.00 0.00 C ATOM 263 CG PHE A 154 -0.162 4.619 -4.347 1.00 0.00 C ATOM 264 CD1 PHE A 154 -1.010 5.638 -3.944 1.00 0.00 C ATOM 265 CD2 PHE A 154 -0.208 4.196 -5.665 1.00 0.00 C ATOM 266 CE1 PHE A 154 -1.887 6.222 -4.838 1.00 0.00 C ATOM 267 CE2 PHE A 154 -1.083 4.777 -6.564 1.00 0.00 C ATOM 268 CZ PHE A 154 -1.923 5.792 -6.150 1.00 0.00 C ATOM 0 H PHE A 154 1.770 1.924 -2.202 1.00 0.00 H new ATOM 0 HA PHE A 154 -0.324 3.869 -1.537 1.00 0.00 H new ATOM 0 HB2 PHE A 154 1.398 4.765 -2.913 1.00 0.00 H new ATOM 0 HB3 PHE A 154 1.470 3.330 -3.916 1.00 0.00 H new ATOM 0 HD1 PHE A 154 -0.985 5.980 -2.920 1.00 0.00 H new ATOM 0 HD2 PHE A 154 0.447 3.403 -5.994 1.00 0.00 H new ATOM 0 HE1 PHE A 154 -2.544 7.014 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 154 -1.110 4.437 -7.589 1.00 0.00 H new ATOM 0 HZ PHE A 154 -2.607 6.248 -6.851 1.00 0.00 H new ATOM 278 N VAL A 155 -2.236 2.508 -2.295 1.00 0.00 N ATOM 279 CA VAL A 155 -3.409 1.783 -2.771 1.00 0.00 C ATOM 280 C VAL A 155 -4.336 2.698 -3.563 1.00 0.00 C ATOM 281 O VAL A 155 -4.826 3.702 -3.046 1.00 0.00 O ATOM 282 CB VAL A 155 -4.196 1.161 -1.602 1.00 0.00 C ATOM 283 CG1 VAL A 155 -5.290 0.241 -2.124 1.00 0.00 C ATOM 284 CG2 VAL A 155 -3.258 0.410 -0.669 1.00 0.00 C ATOM 0 H VAL A 155 -2.413 3.119 -1.498 1.00 0.00 H new ATOM 0 HA VAL A 155 -3.047 0.986 -3.421 1.00 0.00 H new ATOM 0 HB VAL A 155 -4.669 1.964 -1.037 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -5.835 -0.189 -1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -5.977 0.811 -2.749 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -4.842 -0.559 -2.714 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -3.831 -0.023 0.151 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -2.756 -0.385 -1.220 1.00 0.00 H new ATOM 0 HG23 VAL A 155 -2.515 1.099 -0.268 1.00 0.00 H new ATOM 294 N GLY A 156 -4.574 2.344 -4.822 1.00 0.00 N ATOM 295 CA GLY A 156 -5.442 3.144 -5.666 1.00 0.00 C ATOM 296 C GLY A 156 -6.633 2.359 -6.181 1.00 0.00 C ATOM 297 O GLY A 156 -6.841 1.210 -5.795 1.00 0.00 O ATOM 0 H GLY A 156 -4.181 1.517 -5.273 1.00 0.00 H new ATOM 0 HA2 GLY A 156 -5.796 4.008 -5.103 1.00 0.00 H new ATOM 0 HA3 GLY A 156 -4.870 3.527 -6.511 1.00 0.00 H new ATOM 301 N MET A 157 -7.417 2.983 -7.054 1.00 0.00 N ATOM 302 CA MET A 157 -8.594 2.335 -7.622 1.00 0.00 C ATOM 303 C MET A 157 -9.599 1.979 -6.531 1.00 0.00 C ATOM 304 O MET A 157 -10.332 0.996 -6.645 1.00 0.00 O ATOM 305 CB MET A 157 -8.189 1.075 -8.389 1.00 0.00 C ATOM 306 CG MET A 157 -7.591 1.362 -9.757 1.00 0.00 C ATOM 307 SD MET A 157 -8.761 2.163 -10.872 1.00 0.00 S ATOM 308 CE MET A 157 -7.703 2.520 -12.272 1.00 0.00 C ATOM 0 H MET A 157 -7.259 3.935 -7.383 1.00 0.00 H new ATOM 0 HA MET A 157 -9.066 3.035 -8.311 1.00 0.00 H new ATOM 0 HB2 MET A 157 -7.466 0.515 -7.796 1.00 0.00 H new ATOM 0 HB3 MET A 157 -9.064 0.437 -8.511 1.00 0.00 H new ATOM 0 HG2 MET A 157 -6.713 1.998 -9.640 1.00 0.00 H new ATOM 0 HG3 MET A 157 -7.250 0.428 -10.204 1.00 0.00 H new ATOM 0 HE1 MET A 157 -8.283 3.018 -13.049 1.00 0.00 H new ATOM 0 HE2 MET A 157 -6.888 3.170 -11.955 1.00 0.00 H new ATOM 0 HE3 MET A 157 -7.293 1.590 -12.665 1.00 0.00 H new ATOM 318 N LEU A 158 -9.626 2.783 -5.473 1.00 0.00 N ATOM 319 CA LEU A 158 -10.541 2.552 -4.360 1.00 0.00 C ATOM 320 C LEU A 158 -11.882 3.235 -4.607 1.00 0.00 C ATOM 321 O LEU A 158 -11.990 4.127 -5.448 1.00 0.00 O ATOM 322 CB LEU A 158 -9.927 3.064 -3.056 1.00 0.00 C ATOM 323 CG LEU A 158 -8.826 2.196 -2.447 1.00 0.00 C ATOM 324 CD1 LEU A 158 -8.390 2.754 -1.101 1.00 0.00 C ATOM 325 CD2 LEU A 158 -9.299 0.757 -2.301 1.00 0.00 C ATOM 0 H LEU A 158 -9.025 3.600 -5.363 1.00 0.00 H new ATOM 0 HA LEU A 158 -10.711 1.479 -4.278 1.00 0.00 H new ATOM 0 HB2 LEU A 158 -9.520 4.059 -3.236 1.00 0.00 H new ATOM 0 HB3 LEU A 158 -10.724 3.174 -2.321 1.00 0.00 H new ATOM 0 HG LEU A 158 -7.968 2.209 -3.119 1.00 0.00 H new ATOM 0 HD11 LEU A 158 -7.606 2.123 -0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 158 -8.009 3.767 -1.233 1.00 0.00 H new ATOM 0 HD13 LEU A 158 -9.242 2.772 -0.422 1.00 0.00 H new ATOM 0 HD21 LEU A 158 -8.502 0.154 -1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 158 -10.174 0.726 -1.651 1.00 0.00 H new ATOM 0 HD23 LEU A 158 -9.561 0.359 -3.281 1.00 0.00 H new ATOM 337 N ASN A 159 -12.901 2.811 -3.867 1.00 0.00 N ATOM 338 CA ASN A 159 -14.236 3.384 -4.005 1.00 0.00 C ATOM 339 C ASN A 159 -14.529 4.360 -2.870 1.00 0.00 C ATOM 340 O ASN A 159 -13.884 4.322 -1.821 1.00 0.00 O ATOM 341 CB ASN A 159 -15.290 2.275 -4.024 1.00 0.00 C ATOM 342 CG ASN A 159 -16.667 2.792 -4.393 1.00 0.00 C ATOM 343 OD1 ASN A 159 -16.814 3.595 -5.315 1.00 0.00 O ATOM 344 ND2 ASN A 159 -17.683 2.333 -3.673 1.00 0.00 N ATOM 0 H ASN A 159 -12.829 2.073 -3.166 1.00 0.00 H new ATOM 0 HA ASN A 159 -14.275 3.929 -4.948 1.00 0.00 H new ATOM 0 HB2 ASN A 159 -14.991 1.506 -4.736 1.00 0.00 H new ATOM 0 HB3 ASN A 159 -15.333 1.802 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 159 -18.633 2.645 -3.875 1.00 0.00 H new ATOM 0 HD22 ASN A 159 -17.514 1.668 -2.918 1.00 0.00 H new ATOM 351 N LYS A 160 -15.506 5.234 -3.085 1.00 0.00 N ATOM 352 CA LYS A 160 -15.887 6.219 -2.081 1.00 0.00 C ATOM 353 C LYS A 160 -16.881 5.627 -1.086 1.00 0.00 C ATOM 354 O LYS A 160 -17.795 6.310 -0.627 1.00 0.00 O ATOM 355 CB LYS A 160 -16.496 7.453 -2.752 1.00 0.00 C ATOM 356 CG LYS A 160 -15.607 8.065 -3.821 1.00 0.00 C ATOM 357 CD LYS A 160 -16.141 9.408 -4.288 1.00 0.00 C ATOM 358 CE LYS A 160 -15.583 10.551 -3.453 1.00 0.00 C ATOM 359 NZ LYS A 160 -14.315 11.086 -4.022 1.00 0.00 N ATOM 0 H LYS A 160 -16.049 5.280 -3.947 1.00 0.00 H new ATOM 0 HA LYS A 160 -14.988 6.513 -1.539 1.00 0.00 H new ATOM 0 HB2 LYS A 160 -17.451 7.179 -3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 160 -16.704 8.205 -1.991 1.00 0.00 H new ATOM 0 HG2 LYS A 160 -14.598 8.190 -3.428 1.00 0.00 H new ATOM 0 HG3 LYS A 160 -15.537 7.385 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 160 -15.880 9.560 -5.335 1.00 0.00 H new ATOM 0 HD3 LYS A 160 -17.229 9.409 -4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 160 -16.321 11.351 -3.394 1.00 0.00 H new ATOM 0 HE3 LYS A 160 -15.406 10.204 -2.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 160 -14.262 12.110 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 160 -13.506 10.616 -3.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 160 -14.291 10.906 -5.046 1.00 0.00 H new ATOM 373 N GLN A 161 -16.693 4.352 -0.758 1.00 0.00 N ATOM 374 CA GLN A 161 -17.573 3.669 0.183 1.00 0.00 C ATOM 375 C GLN A 161 -16.780 3.099 1.354 1.00 0.00 C ATOM 376 O GLN A 161 -17.119 3.330 2.515 1.00 0.00 O ATOM 377 CB GLN A 161 -18.338 2.549 -0.524 1.00 0.00 C ATOM 378 CG GLN A 161 -19.475 1.972 0.305 1.00 0.00 C ATOM 379 CD GLN A 161 -20.453 3.031 0.773 1.00 0.00 C ATOM 380 OE1 GLN A 161 -20.187 3.759 1.730 1.00 0.00 O ATOM 381 NE2 GLN A 161 -21.593 3.124 0.098 1.00 0.00 N ATOM 0 H GLN A 161 -15.940 3.772 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 161 -18.285 4.397 0.571 1.00 0.00 H new ATOM 0 HB2 GLN A 161 -18.741 2.931 -1.462 1.00 0.00 H new ATOM 0 HB3 GLN A 161 -17.642 1.749 -0.778 1.00 0.00 H new ATOM 0 HG2 GLN A 161 -20.008 1.227 -0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 161 -19.062 1.456 1.172 1.00 0.00 H new ATOM 0 HE21 GLN A 161 -21.772 2.500 -0.689 1.00 0.00 H new ATOM 0 HE22 GLN A 161 -22.289 3.819 0.366 1.00 0.00 H new ATOM 390 N GLN A 162 -15.725 2.355 1.042 1.00 0.00 N ATOM 391 CA GLN A 162 -14.885 1.751 2.069 1.00 0.00 C ATOM 392 C GLN A 162 -14.385 2.805 3.052 1.00 0.00 C ATOM 393 O GLN A 162 -14.279 3.984 2.713 1.00 0.00 O ATOM 394 CB GLN A 162 -13.697 1.031 1.429 1.00 0.00 C ATOM 395 CG GLN A 162 -14.091 -0.204 0.634 1.00 0.00 C ATOM 396 CD GLN A 162 -12.906 -1.092 0.309 1.00 0.00 C ATOM 397 OE1 GLN A 162 -11.771 -0.793 0.682 1.00 0.00 O ATOM 398 NE2 GLN A 162 -13.164 -2.191 -0.389 1.00 0.00 N ATOM 0 H GLN A 162 -15.431 2.156 0.086 1.00 0.00 H new ATOM 0 HA GLN A 162 -15.488 1.026 2.616 1.00 0.00 H new ATOM 0 HB2 GLN A 162 -13.174 1.725 0.771 1.00 0.00 H new ATOM 0 HB3 GLN A 162 -12.994 0.741 2.210 1.00 0.00 H new ATOM 0 HG2 GLN A 162 -14.825 -0.777 1.201 1.00 0.00 H new ATOM 0 HG3 GLN A 162 -14.574 0.104 -0.293 1.00 0.00 H new ATOM 0 HE21 GLN A 162 -14.120 -2.399 -0.677 1.00 0.00 H new ATOM 0 HE22 GLN A 162 -12.406 -2.827 -0.637 1.00 0.00 H new ATOM 407 N SER A 163 -14.081 2.373 4.272 1.00 0.00 N ATOM 408 CA SER A 163 -13.596 3.280 5.305 1.00 0.00 C ATOM 409 C SER A 163 -12.340 2.725 5.970 1.00 0.00 C ATOM 410 O SER A 163 -11.845 1.663 5.595 1.00 0.00 O ATOM 411 CB SER A 163 -14.682 3.515 6.357 1.00 0.00 C ATOM 412 OG SER A 163 -14.977 2.322 7.061 1.00 0.00 O ATOM 0 H SER A 163 -14.162 1.401 4.569 1.00 0.00 H new ATOM 0 HA SER A 163 -13.346 4.230 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 163 -14.354 4.283 7.058 1.00 0.00 H new ATOM 0 HB3 SER A 163 -15.585 3.889 5.875 1.00 0.00 H new ATOM 0 HG SER A 163 -15.234 1.622 6.425 1.00 0.00 H new ATOM 418 N GLU A 164 -11.832 3.452 6.960 1.00 0.00 N ATOM 419 CA GLU A 164 -10.633 3.033 7.677 1.00 0.00 C ATOM 420 C GLU A 164 -10.804 1.629 8.250 1.00 0.00 C ATOM 421 O GLU A 164 -9.934 0.773 8.093 1.00 0.00 O ATOM 422 CB GLU A 164 -10.314 4.019 8.803 1.00 0.00 C ATOM 423 CG GLU A 164 -9.691 5.317 8.317 1.00 0.00 C ATOM 424 CD GLU A 164 -10.727 6.374 7.986 1.00 0.00 C ATOM 425 OE1 GLU A 164 -11.160 7.090 8.913 1.00 0.00 O ATOM 426 OE2 GLU A 164 -11.104 6.484 6.801 1.00 0.00 O ATOM 0 H GLU A 164 -12.231 4.333 7.284 1.00 0.00 H new ATOM 0 HA GLU A 164 -9.804 3.020 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 164 -11.231 4.247 9.346 1.00 0.00 H new ATOM 0 HB3 GLU A 164 -9.635 3.543 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 164 -9.017 5.701 9.083 1.00 0.00 H new ATOM 0 HG3 GLU A 164 -9.087 5.117 7.432 1.00 0.00 H new ATOM 433 N ASP A 165 -11.932 1.401 8.913 1.00 0.00 N ATOM 434 CA ASP A 165 -12.219 0.101 9.509 1.00 0.00 C ATOM 435 C ASP A 165 -12.203 -0.997 8.451 1.00 0.00 C ATOM 436 O ASP A 165 -11.478 -1.984 8.578 1.00 0.00 O ATOM 437 CB ASP A 165 -13.577 0.128 10.213 1.00 0.00 C ATOM 438 CG ASP A 165 -13.570 1.002 11.452 1.00 0.00 C ATOM 439 OD1 ASP A 165 -13.289 2.212 11.322 1.00 0.00 O ATOM 440 OD2 ASP A 165 -13.844 0.476 12.551 1.00 0.00 O ATOM 0 H ASP A 165 -12.663 2.099 9.051 1.00 0.00 H new ATOM 0 HA ASP A 165 -11.442 -0.115 10.242 1.00 0.00 H new ATOM 0 HB2 ASP A 165 -14.335 0.492 9.520 1.00 0.00 H new ATOM 0 HB3 ASP A 165 -13.860 -0.888 10.490 1.00 0.00 H new ATOM 445 N ASP A 166 -13.006 -0.819 7.408 1.00 0.00 N ATOM 446 CA ASP A 166 -13.084 -1.795 6.327 1.00 0.00 C ATOM 447 C ASP A 166 -11.690 -2.240 5.896 1.00 0.00 C ATOM 448 O ASP A 166 -11.301 -3.390 6.106 1.00 0.00 O ATOM 449 CB ASP A 166 -13.837 -1.207 5.133 1.00 0.00 C ATOM 450 CG ASP A 166 -15.292 -0.921 5.450 1.00 0.00 C ATOM 451 OD1 ASP A 166 -15.986 -1.841 5.930 1.00 0.00 O ATOM 452 OD2 ASP A 166 -15.737 0.223 5.218 1.00 0.00 O ATOM 0 H ASP A 166 -13.612 -0.008 7.288 1.00 0.00 H new ATOM 0 HA ASP A 166 -13.627 -2.666 6.695 1.00 0.00 H new ATOM 0 HB2 ASP A 166 -13.349 -0.285 4.818 1.00 0.00 H new ATOM 0 HB3 ASP A 166 -13.780 -1.901 4.294 1.00 0.00 H new ATOM 457 N VAL A 167 -10.942 -1.323 5.290 1.00 0.00 N ATOM 458 CA VAL A 167 -9.592 -1.621 4.829 1.00 0.00 C ATOM 459 C VAL A 167 -8.702 -2.067 5.984 1.00 0.00 C ATOM 460 O VAL A 167 -8.107 -3.144 5.942 1.00 0.00 O ATOM 461 CB VAL A 167 -8.950 -0.399 4.144 1.00 0.00 C ATOM 462 CG1 VAL A 167 -7.546 -0.732 3.665 1.00 0.00 C ATOM 463 CG2 VAL A 167 -9.817 0.080 2.990 1.00 0.00 C ATOM 0 H VAL A 167 -11.249 -0.368 5.107 1.00 0.00 H new ATOM 0 HA VAL A 167 -9.677 -2.432 4.105 1.00 0.00 H new ATOM 0 HB VAL A 167 -8.877 0.408 4.873 1.00 0.00 H new ATOM 0 HG11 VAL A 167 -7.109 0.143 3.184 1.00 0.00 H new ATOM 0 HG12 VAL A 167 -6.931 -1.024 4.516 1.00 0.00 H new ATOM 0 HG13 VAL A 167 -7.591 -1.554 2.951 1.00 0.00 H new ATOM 0 HG21 VAL A 167 -9.349 0.944 2.517 1.00 0.00 H new ATOM 0 HG22 VAL A 167 -9.924 -0.721 2.258 1.00 0.00 H new ATOM 0 HG23 VAL A 167 -10.801 0.361 3.366 1.00 0.00 H new ATOM 473 N ARG A 168 -8.617 -1.233 7.015 1.00 0.00 N ATOM 474 CA ARG A 168 -7.800 -1.542 8.182 1.00 0.00 C ATOM 475 C ARG A 168 -7.806 -3.040 8.470 1.00 0.00 C ATOM 476 O ARG A 168 -6.751 -3.665 8.584 1.00 0.00 O ATOM 477 CB ARG A 168 -8.308 -0.775 9.404 1.00 0.00 C ATOM 478 CG ARG A 168 -7.640 -1.190 10.705 1.00 0.00 C ATOM 479 CD ARG A 168 -8.158 -0.377 11.881 1.00 0.00 C ATOM 480 NE ARG A 168 -7.693 -0.908 13.160 1.00 0.00 N ATOM 481 CZ ARG A 168 -7.988 -0.360 14.334 1.00 0.00 C ATOM 482 NH1 ARG A 168 -8.744 0.727 14.390 1.00 0.00 N ATOM 483 NH2 ARG A 168 -7.527 -0.901 15.454 1.00 0.00 N ATOM 0 H ARG A 168 -9.104 -0.338 7.066 1.00 0.00 H new ATOM 0 HA ARG A 168 -6.776 -1.235 7.968 1.00 0.00 H new ATOM 0 HB2 ARG A 168 -8.146 0.291 9.246 1.00 0.00 H new ATOM 0 HB3 ARG A 168 -9.384 -0.924 9.494 1.00 0.00 H new ATOM 0 HG2 ARG A 168 -7.820 -2.250 10.886 1.00 0.00 H new ATOM 0 HG3 ARG A 168 -6.561 -1.061 10.619 1.00 0.00 H new ATOM 0 HD2 ARG A 168 -7.832 0.658 11.778 1.00 0.00 H new ATOM 0 HD3 ARG A 168 -9.248 -0.371 11.866 1.00 0.00 H new ATOM 0 HE ARG A 168 -7.110 -1.745 13.151 1.00 0.00 H new ATOM 0 HH11 ARG A 168 -9.101 1.145 13.531 1.00 0.00 H new ATOM 0 HH12 ARG A 168 -8.969 1.146 15.292 1.00 0.00 H new ATOM 0 HH21 ARG A 168 -6.946 -1.738 15.414 1.00 0.00 H new ATOM 0 HH22 ARG A 168 -7.754 -0.480 16.355 1.00 0.00 H new ATOM 497 N ARG A 169 -9.001 -3.610 8.586 1.00 0.00 N ATOM 498 CA ARG A 169 -9.144 -5.035 8.861 1.00 0.00 C ATOM 499 C ARG A 169 -8.605 -5.870 7.704 1.00 0.00 C ATOM 500 O ARG A 169 -7.754 -6.739 7.894 1.00 0.00 O ATOM 501 CB ARG A 169 -10.613 -5.382 9.114 1.00 0.00 C ATOM 502 CG ARG A 169 -11.172 -4.771 10.389 1.00 0.00 C ATOM 503 CD ARG A 169 -10.894 -5.651 11.597 1.00 0.00 C ATOM 504 NE ARG A 169 -11.613 -5.195 12.784 1.00 0.00 N ATOM 505 CZ ARG A 169 -12.900 -5.437 13.001 1.00 0.00 C ATOM 506 NH1 ARG A 169 -13.607 -6.127 12.117 1.00 0.00 N ATOM 507 NH2 ARG A 169 -13.484 -4.988 14.105 1.00 0.00 N ATOM 0 H ARG A 169 -9.884 -3.107 8.494 1.00 0.00 H new ATOM 0 HA ARG A 169 -8.563 -5.267 9.754 1.00 0.00 H new ATOM 0 HB2 ARG A 169 -11.209 -5.043 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 169 -10.718 -6.466 9.164 1.00 0.00 H new ATOM 0 HG2 ARG A 169 -10.731 -3.787 10.546 1.00 0.00 H new ATOM 0 HG3 ARG A 169 -12.247 -4.626 10.283 1.00 0.00 H new ATOM 0 HD2 ARG A 169 -11.182 -6.678 11.371 1.00 0.00 H new ATOM 0 HD3 ARG A 169 -9.823 -5.658 11.802 1.00 0.00 H new ATOM 0 HE ARG A 169 -11.098 -4.661 13.484 1.00 0.00 H new ATOM 0 HH11 ARG A 169 -13.162 -6.474 11.267 1.00 0.00 H new ATOM 0 HH12 ARG A 169 -14.596 -6.311 12.287 1.00 0.00 H new ATOM 0 HH21 ARG A 169 -12.944 -4.456 14.788 1.00 0.00 H new ATOM 0 HH22 ARG A 169 -14.473 -5.174 14.271 1.00 0.00 H new ATOM 521 N LEU A 170 -9.107 -5.600 6.503 1.00 0.00 N ATOM 522 CA LEU A 170 -8.676 -6.327 5.314 1.00 0.00 C ATOM 523 C LEU A 170 -7.159 -6.485 5.291 1.00 0.00 C ATOM 524 O LEU A 170 -6.640 -7.598 5.363 1.00 0.00 O ATOM 525 CB LEU A 170 -9.143 -5.600 4.051 1.00 0.00 C ATOM 526 CG LEU A 170 -9.163 -6.430 2.767 1.00 0.00 C ATOM 527 CD1 LEU A 170 -10.317 -7.419 2.789 1.00 0.00 C ATOM 528 CD2 LEU A 170 -9.257 -5.524 1.548 1.00 0.00 C ATOM 0 H LEU A 170 -9.812 -4.884 6.327 1.00 0.00 H new ATOM 0 HA LEU A 170 -9.125 -7.320 5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 170 -10.148 -5.216 4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 170 -8.496 -4.737 3.892 1.00 0.00 H new ATOM 0 HG LEU A 170 -8.231 -6.992 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 170 -10.315 -8.001 1.867 1.00 0.00 H new ATOM 0 HD12 LEU A 170 -10.206 -8.089 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 170 -11.259 -6.877 2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 170 -9.270 -6.132 0.643 1.00 0.00 H new ATOM 0 HD22 LEU A 170 -10.172 -4.935 1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 170 -8.396 -4.856 1.524 1.00 0.00 H new ATOM 540 N PHE A 171 -6.454 -5.362 5.193 1.00 0.00 N ATOM 541 CA PHE A 171 -4.996 -5.376 5.163 1.00 0.00 C ATOM 542 C PHE A 171 -4.435 -6.176 6.335 1.00 0.00 C ATOM 543 O PHE A 171 -3.847 -7.240 6.147 1.00 0.00 O ATOM 544 CB PHE A 171 -4.451 -3.947 5.199 1.00 0.00 C ATOM 545 CG PHE A 171 -4.470 -3.264 3.862 1.00 0.00 C ATOM 546 CD1 PHE A 171 -5.649 -3.154 3.142 1.00 0.00 C ATOM 547 CD2 PHE A 171 -3.310 -2.731 3.325 1.00 0.00 C ATOM 548 CE1 PHE A 171 -5.669 -2.527 1.911 1.00 0.00 C ATOM 549 CE2 PHE A 171 -3.324 -2.102 2.094 1.00 0.00 C ATOM 550 CZ PHE A 171 -4.505 -1.999 1.387 1.00 0.00 C ATOM 0 H PHE A 171 -6.869 -4.432 5.133 1.00 0.00 H new ATOM 0 HA PHE A 171 -4.681 -5.855 4.236 1.00 0.00 H new ATOM 0 HB2 PHE A 171 -5.038 -3.361 5.906 1.00 0.00 H new ATOM 0 HB3 PHE A 171 -3.428 -3.966 5.574 1.00 0.00 H new ATOM 0 HD1 PHE A 171 -6.563 -3.563 3.548 1.00 0.00 H new ATOM 0 HD2 PHE A 171 -2.383 -2.808 3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 171 -6.594 -2.450 1.359 1.00 0.00 H new ATOM 0 HE2 PHE A 171 -2.412 -1.692 1.686 1.00 0.00 H new ATOM 0 HZ PHE A 171 -4.519 -1.507 0.426 1.00 0.00 H new ATOM 560 N GLU A 172 -4.622 -5.655 7.543 1.00 0.00 N ATOM 561 CA GLU A 172 -4.134 -6.320 8.746 1.00 0.00 C ATOM 562 C GLU A 172 -4.525 -7.795 8.748 1.00 0.00 C ATOM 563 O GLU A 172 -3.891 -8.615 9.412 1.00 0.00 O ATOM 564 CB GLU A 172 -4.686 -5.632 9.996 1.00 0.00 C ATOM 565 CG GLU A 172 -6.005 -6.212 10.477 1.00 0.00 C ATOM 566 CD GLU A 172 -6.493 -5.565 11.759 1.00 0.00 C ATOM 567 OE1 GLU A 172 -6.749 -4.343 11.748 1.00 0.00 O ATOM 568 OE2 GLU A 172 -6.620 -6.283 12.773 1.00 0.00 O ATOM 0 H GLU A 172 -5.108 -4.775 7.715 1.00 0.00 H new ATOM 0 HA GLU A 172 -3.046 -6.250 8.753 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -3.951 -5.709 10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -4.820 -4.571 9.787 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.759 -6.084 9.700 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -5.890 -7.284 10.636 1.00 0.00 H new ATOM 575 N ALA A 173 -5.574 -8.124 8.002 1.00 0.00 N ATOM 576 CA ALA A 173 -6.050 -9.499 7.917 1.00 0.00 C ATOM 577 C ALA A 173 -4.914 -10.452 7.558 1.00 0.00 C ATOM 578 O ALA A 173 -4.948 -11.633 7.904 1.00 0.00 O ATOM 579 CB ALA A 173 -7.174 -9.607 6.898 1.00 0.00 C ATOM 0 H ALA A 173 -6.111 -7.457 7.448 1.00 0.00 H new ATOM 0 HA ALA A 173 -6.434 -9.785 8.896 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -7.519 -10.639 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -8.000 -8.963 7.198 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -6.809 -9.296 5.919 1.00 0.00 H new ATOM 585 N PHE A 174 -3.910 -9.931 6.861 1.00 0.00 N ATOM 586 CA PHE A 174 -2.765 -10.736 6.452 1.00 0.00 C ATOM 587 C PHE A 174 -1.502 -10.298 7.189 1.00 0.00 C ATOM 588 O PHE A 174 -0.912 -11.068 7.945 1.00 0.00 O ATOM 589 CB PHE A 174 -2.551 -10.627 4.941 1.00 0.00 C ATOM 590 CG PHE A 174 -3.725 -11.101 4.134 1.00 0.00 C ATOM 591 CD1 PHE A 174 -4.765 -10.239 3.828 1.00 0.00 C ATOM 592 CD2 PHE A 174 -3.789 -12.410 3.682 1.00 0.00 C ATOM 593 CE1 PHE A 174 -5.848 -10.672 3.085 1.00 0.00 C ATOM 594 CE2 PHE A 174 -4.869 -12.848 2.939 1.00 0.00 C ATOM 595 CZ PHE A 174 -5.900 -11.979 2.640 1.00 0.00 C ATOM 0 H PHE A 174 -3.866 -8.955 6.568 1.00 0.00 H new ATOM 0 HA PHE A 174 -2.973 -11.775 6.708 1.00 0.00 H new ATOM 0 HB2 PHE A 174 -2.340 -9.588 4.686 1.00 0.00 H new ATOM 0 HB3 PHE A 174 -1.671 -11.208 4.664 1.00 0.00 H new ATOM 0 HD1 PHE A 174 -4.730 -9.216 4.174 1.00 0.00 H new ATOM 0 HD2 PHE A 174 -2.986 -13.095 3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 174 -6.652 -9.989 2.853 1.00 0.00 H new ATOM 0 HE2 PHE A 174 -4.907 -13.870 2.592 1.00 0.00 H new ATOM 0 HZ PHE A 174 -6.745 -12.320 2.060 1.00 0.00 H new ATOM 605 N GLY A 175 -1.092 -9.053 6.960 1.00 0.00 N ATOM 606 CA GLY A 175 0.098 -8.534 7.608 1.00 0.00 C ATOM 607 C GLY A 175 -0.198 -7.338 8.492 1.00 0.00 C ATOM 608 O GLY A 175 -0.961 -6.451 8.112 1.00 0.00 O ATOM 0 H GLY A 175 -1.563 -8.396 6.338 1.00 0.00 H new ATOM 0 HA2 GLY A 175 0.554 -9.321 8.208 1.00 0.00 H new ATOM 0 HA3 GLY A 175 0.827 -8.249 6.849 1.00 0.00 H new ATOM 612 N ASN A 176 0.406 -7.314 9.675 1.00 0.00 N ATOM 613 CA ASN A 176 0.201 -6.219 10.616 1.00 0.00 C ATOM 614 C ASN A 176 0.441 -4.871 9.943 1.00 0.00 C ATOM 615 O ASN A 176 1.227 -4.768 9.001 1.00 0.00 O ATOM 616 CB ASN A 176 1.133 -6.373 11.820 1.00 0.00 C ATOM 617 CG ASN A 176 0.625 -7.396 12.817 1.00 0.00 C ATOM 618 OD1 ASN A 176 -0.450 -7.235 13.396 1.00 0.00 O ATOM 619 ND2 ASN A 176 1.398 -8.456 13.023 1.00 0.00 N ATOM 0 H ASN A 176 1.042 -8.040 10.005 1.00 0.00 H new ATOM 0 HA ASN A 176 -0.833 -6.256 10.958 1.00 0.00 H new ATOM 0 HB2 ASN A 176 2.124 -6.668 11.474 1.00 0.00 H new ATOM 0 HB3 ASN A 176 1.243 -5.409 12.317 1.00 0.00 H new ATOM 0 HD21 ASN A 176 1.109 -9.178 13.683 1.00 0.00 H new ATOM 0 HD22 ASN A 176 2.281 -8.548 12.521 1.00 0.00 H new ATOM 626 N ILE A 177 -0.242 -3.842 10.433 1.00 0.00 N ATOM 627 CA ILE A 177 -0.102 -2.500 9.880 1.00 0.00 C ATOM 628 C ILE A 177 0.454 -1.533 10.919 1.00 0.00 C ATOM 629 O ILE A 177 -0.232 -1.173 11.875 1.00 0.00 O ATOM 630 CB ILE A 177 -1.449 -1.962 9.362 1.00 0.00 C ATOM 631 CG1 ILE A 177 -1.942 -2.807 8.186 1.00 0.00 C ATOM 632 CG2 ILE A 177 -1.314 -0.503 8.953 1.00 0.00 C ATOM 633 CD1 ILE A 177 -3.346 -2.462 7.741 1.00 0.00 C ATOM 0 H ILE A 177 -0.898 -3.912 11.211 1.00 0.00 H new ATOM 0 HA ILE A 177 0.596 -2.573 9.046 1.00 0.00 H new ATOM 0 HB ILE A 177 -2.183 -2.028 10.165 1.00 0.00 H new ATOM 0 HG12 ILE A 177 -1.261 -2.677 7.345 1.00 0.00 H new ATOM 0 HG13 ILE A 177 -1.906 -3.860 8.466 1.00 0.00 H new ATOM 0 HG21 ILE A 177 -2.274 -0.137 8.589 1.00 0.00 H new ATOM 0 HG22 ILE A 177 -1.003 0.089 9.814 1.00 0.00 H new ATOM 0 HG23 ILE A 177 -0.569 -0.414 8.163 1.00 0.00 H new ATOM 0 HD11 ILE A 177 -3.630 -3.100 6.904 1.00 0.00 H new ATOM 0 HD12 ILE A 177 -4.039 -2.619 8.568 1.00 0.00 H new ATOM 0 HD13 ILE A 177 -3.383 -1.418 7.430 1.00 0.00 H new ATOM 645 N GLU A 178 1.700 -1.114 10.722 1.00 0.00 N ATOM 646 CA GLU A 178 2.347 -0.186 11.643 1.00 0.00 C ATOM 647 C GLU A 178 1.590 1.137 11.703 1.00 0.00 C ATOM 648 O GLU A 178 1.483 1.755 12.762 1.00 0.00 O ATOM 649 CB GLU A 178 3.796 0.062 11.217 1.00 0.00 C ATOM 650 CG GLU A 178 4.786 -0.913 11.832 1.00 0.00 C ATOM 651 CD GLU A 178 6.213 -0.655 11.386 1.00 0.00 C ATOM 652 OE1 GLU A 178 6.417 -0.376 10.186 1.00 0.00 O ATOM 653 OE2 GLU A 178 7.124 -0.732 12.237 1.00 0.00 O ATOM 0 H GLU A 178 2.281 -1.402 9.934 1.00 0.00 H new ATOM 0 HA GLU A 178 2.339 -0.635 12.636 1.00 0.00 H new ATOM 0 HB2 GLU A 178 3.863 -0.002 10.131 1.00 0.00 H new ATOM 0 HB3 GLU A 178 4.079 1.077 11.494 1.00 0.00 H new ATOM 0 HG2 GLU A 178 4.731 -0.844 12.918 1.00 0.00 H new ATOM 0 HG3 GLU A 178 4.503 -1.931 11.562 1.00 0.00 H new ATOM 660 N GLU A 179 1.068 1.566 10.559 1.00 0.00 N ATOM 661 CA GLU A 179 0.322 2.817 10.482 1.00 0.00 C ATOM 662 C GLU A 179 -0.577 2.840 9.248 1.00 0.00 C ATOM 663 O GLU A 179 -0.166 2.434 8.161 1.00 0.00 O ATOM 664 CB GLU A 179 1.282 4.008 10.449 1.00 0.00 C ATOM 665 CG GLU A 179 0.584 5.355 10.538 1.00 0.00 C ATOM 666 CD GLU A 179 1.483 6.441 11.097 1.00 0.00 C ATOM 667 OE1 GLU A 179 2.406 6.107 11.870 1.00 0.00 O ATOM 668 OE2 GLU A 179 1.263 7.624 10.763 1.00 0.00 O ATOM 0 H GLU A 179 1.147 1.067 9.673 1.00 0.00 H new ATOM 0 HA GLU A 179 -0.306 2.890 11.370 1.00 0.00 H new ATOM 0 HB2 GLU A 179 1.987 3.918 11.275 1.00 0.00 H new ATOM 0 HB3 GLU A 179 1.864 3.970 9.528 1.00 0.00 H new ATOM 0 HG2 GLU A 179 0.240 5.648 9.546 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -0.301 5.261 11.168 1.00 0.00 H new ATOM 675 N CYS A 180 -1.804 3.316 9.427 1.00 0.00 N ATOM 676 CA CYS A 180 -2.762 3.391 8.329 1.00 0.00 C ATOM 677 C CYS A 180 -3.284 4.814 8.159 1.00 0.00 C ATOM 678 O CYS A 180 -3.483 5.535 9.137 1.00 0.00 O ATOM 679 CB CYS A 180 -3.928 2.433 8.577 1.00 0.00 C ATOM 680 SG CYS A 180 -4.844 1.984 7.084 1.00 0.00 S ATOM 0 H CYS A 180 -2.159 3.656 10.321 1.00 0.00 H new ATOM 0 HA CYS A 180 -2.250 3.100 7.412 1.00 0.00 H new ATOM 0 HB2 CYS A 180 -3.545 1.525 9.043 1.00 0.00 H new ATOM 0 HB3 CYS A 180 -4.615 2.891 9.288 1.00 0.00 H new ATOM 0 HG CYS A 180 -5.808 1.170 7.395 1.00 0.00 H new ATOM 686 N THR A 181 -3.503 5.213 6.910 1.00 0.00 N ATOM 687 CA THR A 181 -3.999 6.550 6.611 1.00 0.00 C ATOM 688 C THR A 181 -4.744 6.576 5.281 1.00 0.00 C ATOM 689 O THR A 181 -4.298 5.982 4.298 1.00 0.00 O ATOM 690 CB THR A 181 -2.852 7.577 6.564 1.00 0.00 C ATOM 691 OG1 THR A 181 -2.116 7.546 7.792 1.00 0.00 O ATOM 692 CG2 THR A 181 -3.391 8.980 6.325 1.00 0.00 C ATOM 0 H THR A 181 -3.344 4.629 6.089 1.00 0.00 H new ATOM 0 HA THR A 181 -4.685 6.819 7.414 1.00 0.00 H new ATOM 0 HB THR A 181 -2.191 7.313 5.738 1.00 0.00 H new ATOM 0 HG1 THR A 181 -1.388 8.201 7.753 1.00 0.00 H new ATOM 0 HG21 THR A 181 -2.563 9.688 6.296 1.00 0.00 H new ATOM 0 HG22 THR A 181 -3.926 9.008 5.375 1.00 0.00 H new ATOM 0 HG23 THR A 181 -4.071 9.251 7.132 1.00 0.00 H new ATOM 700 N ILE A 182 -5.878 7.267 5.257 1.00 0.00 N ATOM 701 CA ILE A 182 -6.683 7.370 4.046 1.00 0.00 C ATOM 702 C ILE A 182 -6.560 8.756 3.421 1.00 0.00 C ATOM 703 O ILE A 182 -6.655 9.771 4.112 1.00 0.00 O ATOM 704 CB ILE A 182 -8.168 7.078 4.330 1.00 0.00 C ATOM 705 CG1 ILE A 182 -8.309 5.798 5.157 1.00 0.00 C ATOM 706 CG2 ILE A 182 -8.944 6.962 3.027 1.00 0.00 C ATOM 707 CD1 ILE A 182 -8.034 4.537 4.369 1.00 0.00 C ATOM 0 H ILE A 182 -6.260 7.764 6.062 1.00 0.00 H new ATOM 0 HA ILE A 182 -6.301 6.624 3.349 1.00 0.00 H new ATOM 0 HB ILE A 182 -8.583 7.907 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 182 -7.624 5.845 6.003 1.00 0.00 H new ATOM 0 HG13 ILE A 182 -9.318 5.749 5.566 1.00 0.00 H new ATOM 0 HG21 ILE A 182 -9.992 6.755 3.245 1.00 0.00 H new ATOM 0 HG22 ILE A 182 -8.866 7.897 2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 182 -8.531 6.150 2.429 1.00 0.00 H new ATOM 0 HD11 ILE A 182 -8.152 3.669 5.018 1.00 0.00 H new ATOM 0 HD12 ILE A 182 -8.736 4.467 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 182 -7.015 4.565 3.982 1.00 0.00 H new ATOM 719 N LEU A 183 -6.350 8.791 2.110 1.00 0.00 N ATOM 720 CA LEU A 183 -6.216 10.053 1.390 1.00 0.00 C ATOM 721 C LEU A 183 -7.585 10.631 1.045 1.00 0.00 C ATOM 722 O LEU A 183 -8.401 9.975 0.396 1.00 0.00 O ATOM 723 CB LEU A 183 -5.399 9.849 0.113 1.00 0.00 C ATOM 724 CG LEU A 183 -3.941 9.432 0.308 1.00 0.00 C ATOM 725 CD1 LEU A 183 -3.321 9.022 -1.018 1.00 0.00 C ATOM 726 CD2 LEU A 183 -3.144 10.560 0.946 1.00 0.00 C ATOM 0 H LEU A 183 -6.269 7.960 1.524 1.00 0.00 H new ATOM 0 HA LEU A 183 -5.697 10.760 2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 183 -5.894 9.091 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 183 -5.417 10.777 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 183 -3.916 8.573 0.978 1.00 0.00 H new ATOM 0 HD11 LEU A 183 -2.283 8.729 -0.859 1.00 0.00 H new ATOM 0 HD12 LEU A 183 -3.876 8.182 -1.435 1.00 0.00 H new ATOM 0 HD13 LEU A 183 -3.358 9.862 -1.712 1.00 0.00 H new ATOM 0 HD21 LEU A 183 -2.109 10.245 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 183 -3.177 11.439 0.302 1.00 0.00 H new ATOM 0 HD23 LEU A 183 -3.574 10.806 1.917 1.00 0.00 H new ATOM 816 N SER A 190 -13.273 10.225 0.322 1.00 0.00 N ATOM 817 CA SER A 190 -12.001 9.636 -0.080 1.00 0.00 C ATOM 818 C SER A 190 -11.808 9.739 -1.589 1.00 0.00 C ATOM 819 O SER A 190 -12.730 9.484 -2.365 1.00 0.00 O ATOM 820 CB SER A 190 -11.933 8.171 0.356 1.00 0.00 C ATOM 821 OG SER A 190 -10.692 7.589 -0.004 1.00 0.00 O ATOM 0 HA SER A 190 -11.201 10.191 0.410 1.00 0.00 H new ATOM 0 HB2 SER A 190 -12.071 8.103 1.435 1.00 0.00 H new ATOM 0 HB3 SER A 190 -12.748 7.613 -0.105 1.00 0.00 H new ATOM 0 HG SER A 190 -9.978 8.253 0.095 1.00 0.00 H new ATOM 827 N LYS A 191 -10.602 10.115 -2.001 1.00 0.00 N ATOM 828 CA LYS A 191 -10.284 10.251 -3.417 1.00 0.00 C ATOM 829 C LYS A 191 -9.884 8.907 -4.017 1.00 0.00 C ATOM 830 O LYS A 191 -9.060 8.843 -4.928 1.00 0.00 O ATOM 831 CB LYS A 191 -9.153 11.265 -3.612 1.00 0.00 C ATOM 832 CG LYS A 191 -9.534 12.683 -3.224 1.00 0.00 C ATOM 833 CD LYS A 191 -8.710 13.709 -3.982 1.00 0.00 C ATOM 834 CE LYS A 191 -7.249 13.674 -3.559 1.00 0.00 C ATOM 835 NZ LYS A 191 -7.008 14.480 -2.330 1.00 0.00 N ATOM 0 H LYS A 191 -9.828 10.331 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 191 -11.177 10.607 -3.931 1.00 0.00 H new ATOM 0 HB2 LYS A 191 -8.292 10.954 -3.020 1.00 0.00 H new ATOM 0 HB3 LYS A 191 -8.843 11.254 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 191 -10.593 12.844 -3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 191 -9.390 12.819 -2.152 1.00 0.00 H new ATOM 0 HD2 LYS A 191 -8.785 13.518 -5.053 1.00 0.00 H new ATOM 0 HD3 LYS A 191 -9.117 14.705 -3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 191 -6.947 12.642 -3.381 1.00 0.00 H new ATOM 0 HE3 LYS A 191 -6.627 14.053 -4.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 191 -6.001 14.431 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 191 -7.272 15.470 -2.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 191 -7.582 14.103 -1.549 1.00 0.00 H new ATOM 849 N GLY A 192 -10.477 7.834 -3.501 1.00 0.00 N ATOM 850 CA GLY A 192 -10.171 6.506 -3.999 1.00 0.00 C ATOM 851 C GLY A 192 -8.698 6.168 -3.883 1.00 0.00 C ATOM 852 O GLY A 192 -8.124 5.547 -4.778 1.00 0.00 O ATOM 0 H GLY A 192 -11.164 7.861 -2.747 1.00 0.00 H new ATOM 0 HA2 GLY A 192 -10.754 5.770 -3.445 1.00 0.00 H new ATOM 0 HA3 GLY A 192 -10.476 6.434 -5.043 1.00 0.00 H new ATOM 856 N CYS A 193 -8.083 6.580 -2.780 1.00 0.00 N ATOM 857 CA CYS A 193 -6.666 6.320 -2.551 1.00 0.00 C ATOM 858 C CYS A 193 -6.335 6.386 -1.063 1.00 0.00 C ATOM 859 O CYS A 193 -6.965 7.127 -0.309 1.00 0.00 O ATOM 860 CB CYS A 193 -5.811 7.326 -3.322 1.00 0.00 C ATOM 861 SG CYS A 193 -6.307 9.049 -3.089 1.00 0.00 S ATOM 0 H CYS A 193 -8.543 7.096 -2.030 1.00 0.00 H new ATOM 0 HA CYS A 193 -6.443 5.315 -2.910 1.00 0.00 H new ATOM 0 HB2 CYS A 193 -4.771 7.214 -3.014 1.00 0.00 H new ATOM 0 HB3 CYS A 193 -5.857 7.087 -4.384 1.00 0.00 H new ATOM 0 HG CYS A 193 -7.301 9.325 -3.880 1.00 0.00 H new ATOM 867 N ALA A 194 -5.343 5.605 -0.648 1.00 0.00 N ATOM 868 CA ALA A 194 -4.927 5.575 0.748 1.00 0.00 C ATOM 869 C ALA A 194 -3.517 5.013 0.890 1.00 0.00 C ATOM 870 O ALA A 194 -3.041 4.277 0.025 1.00 0.00 O ATOM 871 CB ALA A 194 -5.909 4.756 1.573 1.00 0.00 C ATOM 0 H ALA A 194 -4.813 4.984 -1.259 1.00 0.00 H new ATOM 0 HA ALA A 194 -4.920 6.599 1.121 1.00 0.00 H new ATOM 0 HB1 ALA A 194 -5.586 4.742 2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 194 -6.901 5.203 1.507 1.00 0.00 H new ATOM 0 HB3 ALA A 194 -5.944 3.736 1.190 1.00 0.00 H new ATOM 877 N PHE A 195 -2.851 5.366 1.984 1.00 0.00 N ATOM 878 CA PHE A 195 -1.493 4.898 2.238 1.00 0.00 C ATOM 879 C PHE A 195 -1.453 3.982 3.458 1.00 0.00 C ATOM 880 O PHE A 195 -1.925 4.344 4.536 1.00 0.00 O ATOM 881 CB PHE A 195 -0.553 6.087 2.447 1.00 0.00 C ATOM 882 CG PHE A 195 -0.282 6.865 1.191 1.00 0.00 C ATOM 883 CD1 PHE A 195 0.285 6.249 0.087 1.00 0.00 C ATOM 884 CD2 PHE A 195 -0.595 8.212 1.114 1.00 0.00 C ATOM 885 CE1 PHE A 195 0.536 6.963 -1.069 1.00 0.00 C ATOM 886 CE2 PHE A 195 -0.347 8.932 -0.040 1.00 0.00 C ATOM 887 CZ PHE A 195 0.218 8.306 -1.133 1.00 0.00 C ATOM 0 H PHE A 195 -3.229 5.975 2.710 1.00 0.00 H new ATOM 0 HA PHE A 195 -1.162 4.330 1.369 1.00 0.00 H new ATOM 0 HB2 PHE A 195 -0.985 6.755 3.192 1.00 0.00 H new ATOM 0 HB3 PHE A 195 0.392 5.726 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 195 0.534 5.199 0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 195 -1.038 8.706 1.966 1.00 0.00 H new ATOM 0 HE1 PHE A 195 0.980 6.472 -1.922 1.00 0.00 H new ATOM 0 HE2 PHE A 195 -0.595 9.982 -0.086 1.00 0.00 H new ATOM 0 HZ PHE A 195 0.411 8.865 -2.037 1.00 0.00 H new ATOM 897 N VAL A 196 -0.885 2.794 3.279 1.00 0.00 N ATOM 898 CA VAL A 196 -0.782 1.825 4.364 1.00 0.00 C ATOM 899 C VAL A 196 0.676 1.530 4.699 1.00 0.00 C ATOM 900 O VAL A 196 1.517 1.405 3.809 1.00 0.00 O ATOM 901 CB VAL A 196 -1.492 0.506 4.008 1.00 0.00 C ATOM 902 CG1 VAL A 196 -1.301 -0.519 5.115 1.00 0.00 C ATOM 903 CG2 VAL A 196 -2.971 0.751 3.746 1.00 0.00 C ATOM 0 H VAL A 196 -0.489 2.479 2.393 1.00 0.00 H new ATOM 0 HA VAL A 196 -1.270 2.268 5.232 1.00 0.00 H new ATOM 0 HB VAL A 196 -1.046 0.108 3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 196 -1.810 -1.445 4.846 1.00 0.00 H new ATOM 0 HG12 VAL A 196 -0.237 -0.715 5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 196 -1.719 -0.133 6.045 1.00 0.00 H new ATOM 0 HG21 VAL A 196 -3.457 -0.192 3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 196 -3.434 1.172 4.638 1.00 0.00 H new ATOM 0 HG23 VAL A 196 -3.083 1.448 2.916 1.00 0.00 H new ATOM 913 N LYS A 197 0.969 1.419 5.991 1.00 0.00 N ATOM 914 CA LYS A 197 2.325 1.137 6.447 1.00 0.00 C ATOM 915 C LYS A 197 2.388 -0.207 7.165 1.00 0.00 C ATOM 916 O LYS A 197 1.740 -0.404 8.193 1.00 0.00 O ATOM 917 CB LYS A 197 2.814 2.248 7.378 1.00 0.00 C ATOM 918 CG LYS A 197 4.222 2.027 7.903 1.00 0.00 C ATOM 919 CD LYS A 197 4.751 3.258 8.618 1.00 0.00 C ATOM 920 CE LYS A 197 5.739 2.886 9.713 1.00 0.00 C ATOM 921 NZ LYS A 197 6.726 3.973 9.962 1.00 0.00 N ATOM 0 H LYS A 197 0.285 1.520 6.741 1.00 0.00 H new ATOM 0 HA LYS A 197 2.974 1.093 5.572 1.00 0.00 H new ATOM 0 HB2 LYS A 197 2.779 3.198 6.845 1.00 0.00 H new ATOM 0 HB3 LYS A 197 2.129 2.330 8.222 1.00 0.00 H new ATOM 0 HG2 LYS A 197 4.227 1.178 8.587 1.00 0.00 H new ATOM 0 HG3 LYS A 197 4.884 1.774 7.075 1.00 0.00 H new ATOM 0 HD2 LYS A 197 5.236 3.918 7.898 1.00 0.00 H new ATOM 0 HD3 LYS A 197 3.919 3.814 9.051 1.00 0.00 H new ATOM 0 HE2 LYS A 197 5.197 2.670 10.633 1.00 0.00 H new ATOM 0 HE3 LYS A 197 6.266 1.974 9.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 197 7.382 3.681 10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 197 7.261 4.162 9.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 197 6.225 4.836 10.255 1.00 0.00 H new ATOM 935 N TYR A 198 3.174 -1.128 6.619 1.00 0.00 N ATOM 936 CA TYR A 198 3.321 -2.454 7.207 1.00 0.00 C ATOM 937 C TYR A 198 4.553 -2.518 8.106 1.00 0.00 C ATOM 938 O TYR A 198 5.351 -1.582 8.150 1.00 0.00 O ATOM 939 CB TYR A 198 3.422 -3.514 6.109 1.00 0.00 C ATOM 940 CG TYR A 198 2.080 -4.019 5.629 1.00 0.00 C ATOM 941 CD1 TYR A 198 1.343 -3.306 4.691 1.00 0.00 C ATOM 942 CD2 TYR A 198 1.550 -5.208 6.113 1.00 0.00 C ATOM 943 CE1 TYR A 198 0.116 -3.763 4.250 1.00 0.00 C ATOM 944 CE2 TYR A 198 0.324 -5.673 5.677 1.00 0.00 C ATOM 945 CZ TYR A 198 -0.389 -4.947 4.746 1.00 0.00 C ATOM 946 OH TYR A 198 -1.610 -5.406 4.308 1.00 0.00 O ATOM 0 H TYR A 198 3.719 -0.981 5.770 1.00 0.00 H new ATOM 0 HA TYR A 198 2.439 -2.653 7.815 1.00 0.00 H new ATOM 0 HB2 TYR A 198 3.968 -3.097 5.263 1.00 0.00 H new ATOM 0 HB3 TYR A 198 4.006 -4.356 6.481 1.00 0.00 H new ATOM 0 HD1 TYR A 198 1.736 -2.379 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 198 2.105 -5.779 6.842 1.00 0.00 H new ATOM 0 HE1 TYR A 198 -0.445 -3.197 3.521 1.00 0.00 H new ATOM 0 HE2 TYR A 198 -0.074 -6.600 6.063 1.00 0.00 H new ATOM 0 HH TYR A 198 -2.142 -4.653 3.976 1.00 0.00 H new ATOM 956 N SER A 199 4.699 -3.629 8.820 1.00 0.00 N ATOM 957 CA SER A 199 5.831 -3.815 9.721 1.00 0.00 C ATOM 958 C SER A 199 7.082 -4.217 8.945 1.00 0.00 C ATOM 959 O SER A 199 8.186 -3.766 9.249 1.00 0.00 O ATOM 960 CB SER A 199 5.505 -4.879 10.771 1.00 0.00 C ATOM 961 OG SER A 199 6.433 -4.841 11.841 1.00 0.00 O ATOM 0 H SER A 199 4.048 -4.414 8.792 1.00 0.00 H new ATOM 0 HA SER A 199 6.024 -2.867 10.223 1.00 0.00 H new ATOM 0 HB2 SER A 199 4.497 -4.720 11.154 1.00 0.00 H new ATOM 0 HB3 SER A 199 5.518 -5.866 10.309 1.00 0.00 H new ATOM 0 HG SER A 199 6.202 -5.529 12.499 1.00 0.00 H new ATOM 967 N SER A 200 6.900 -5.069 7.941 1.00 0.00 N ATOM 968 CA SER A 200 8.013 -5.536 7.123 1.00 0.00 C ATOM 969 C SER A 200 7.555 -5.830 5.698 1.00 0.00 C ATOM 970 O SER A 200 6.365 -6.021 5.444 1.00 0.00 O ATOM 971 CB SER A 200 8.636 -6.790 7.740 1.00 0.00 C ATOM 972 OG SER A 200 7.838 -7.933 7.486 1.00 0.00 O ATOM 0 H SER A 200 5.992 -5.450 7.675 1.00 0.00 H new ATOM 0 HA SER A 200 8.763 -4.746 7.089 1.00 0.00 H new ATOM 0 HB2 SER A 200 9.635 -6.942 7.332 1.00 0.00 H new ATOM 0 HB3 SER A 200 8.748 -6.653 8.815 1.00 0.00 H new ATOM 0 HG SER A 200 7.428 -8.238 8.322 1.00 0.00 H new ATOM 978 N HIS A 201 8.507 -5.865 4.772 1.00 0.00 N ATOM 979 CA HIS A 201 8.203 -6.137 3.372 1.00 0.00 C ATOM 980 C HIS A 201 7.407 -7.431 3.230 1.00 0.00 C ATOM 981 O HIS A 201 6.293 -7.432 2.707 1.00 0.00 O ATOM 982 CB HIS A 201 9.492 -6.225 2.555 1.00 0.00 C ATOM 983 CG HIS A 201 9.260 -6.436 1.090 1.00 0.00 C ATOM 984 ND1 HIS A 201 9.915 -7.402 0.356 1.00 0.00 N ATOM 985 CD2 HIS A 201 8.438 -5.799 0.224 1.00 0.00 C ATOM 986 CE1 HIS A 201 9.508 -7.349 -0.899 1.00 0.00 C ATOM 987 NE2 HIS A 201 8.611 -6.385 -1.006 1.00 0.00 N ATOM 0 H HIS A 201 9.496 -5.708 4.966 1.00 0.00 H new ATOM 0 HA HIS A 201 7.597 -5.315 2.992 1.00 0.00 H new ATOM 0 HB2 HIS A 201 10.065 -5.308 2.695 1.00 0.00 H new ATOM 0 HB3 HIS A 201 10.101 -7.043 2.940 1.00 0.00 H new ATOM 0 HD1 HIS A 201 10.606 -8.055 0.725 1.00 0.00 H new ATOM 0 HD2 HIS A 201 7.771 -4.982 0.457 1.00 0.00 H new ATOM 0 HE1 HIS A 201 9.850 -7.986 -1.702 1.00 0.00 H new ATOM 995 N ALA A 202 7.987 -8.531 3.699 1.00 0.00 N ATOM 996 CA ALA A 202 7.331 -9.831 3.625 1.00 0.00 C ATOM 997 C ALA A 202 5.822 -9.694 3.791 1.00 0.00 C ATOM 998 O ALA A 202 5.058 -10.015 2.881 1.00 0.00 O ATOM 999 CB ALA A 202 7.898 -10.768 4.682 1.00 0.00 C ATOM 0 H ALA A 202 8.909 -8.548 4.134 1.00 0.00 H new ATOM 0 HA ALA A 202 7.524 -10.253 2.639 1.00 0.00 H new ATOM 0 HB1 ALA A 202 7.400 -11.735 4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 202 8.967 -10.899 4.516 1.00 0.00 H new ATOM 0 HB3 ALA A 202 7.734 -10.342 5.672 1.00 0.00 H new ATOM 1005 N GLU A 203 5.399 -9.217 4.957 1.00 0.00 N ATOM 1006 CA GLU A 203 3.980 -9.041 5.241 1.00 0.00 C ATOM 1007 C GLU A 203 3.312 -8.189 4.165 1.00 0.00 C ATOM 1008 O GLU A 203 2.207 -8.492 3.717 1.00 0.00 O ATOM 1009 CB GLU A 203 3.789 -8.391 6.613 1.00 0.00 C ATOM 1010 CG GLU A 203 3.986 -9.351 7.774 1.00 0.00 C ATOM 1011 CD GLU A 203 5.446 -9.519 8.151 1.00 0.00 C ATOM 1012 OE1 GLU A 203 6.138 -10.324 7.493 1.00 0.00 O ATOM 1013 OE2 GLU A 203 5.895 -8.846 9.102 1.00 0.00 O ATOM 0 H GLU A 203 6.019 -8.946 5.720 1.00 0.00 H new ATOM 0 HA GLU A 203 3.511 -10.025 5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 203 4.491 -7.563 6.714 1.00 0.00 H new ATOM 0 HB3 GLU A 203 2.786 -7.968 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 203 3.431 -8.988 8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 203 3.568 -10.323 7.512 1.00 0.00 H new ATOM 1020 N ALA A 204 3.991 -7.122 3.757 1.00 0.00 N ATOM 1021 CA ALA A 204 3.465 -6.227 2.734 1.00 0.00 C ATOM 1022 C ALA A 204 3.191 -6.979 1.436 1.00 0.00 C ATOM 1023 O ALA A 204 2.046 -7.080 0.998 1.00 0.00 O ATOM 1024 CB ALA A 204 4.434 -5.080 2.488 1.00 0.00 C ATOM 0 H ALA A 204 4.907 -6.856 4.119 1.00 0.00 H new ATOM 0 HA ALA A 204 2.520 -5.819 3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 204 4.029 -4.419 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 204 4.577 -4.520 3.412 1.00 0.00 H new ATOM 0 HB3 ALA A 204 5.392 -5.478 2.154 1.00 0.00 H new ATOM 1030 N GLN A 205 4.250 -7.502 0.826 1.00 0.00 N ATOM 1031 CA GLN A 205 4.122 -8.243 -0.423 1.00 0.00 C ATOM 1032 C GLN A 205 2.928 -9.191 -0.375 1.00 0.00 C ATOM 1033 O GLN A 205 2.180 -9.313 -1.344 1.00 0.00 O ATOM 1034 CB GLN A 205 5.402 -9.031 -0.707 1.00 0.00 C ATOM 1035 CG GLN A 205 5.479 -9.577 -2.124 1.00 0.00 C ATOM 1036 CD GLN A 205 5.928 -8.535 -3.128 1.00 0.00 C ATOM 1037 OE1 GLN A 205 7.079 -8.097 -3.113 1.00 0.00 O ATOM 1038 NE2 GLN A 205 5.020 -8.131 -4.009 1.00 0.00 N ATOM 0 H GLN A 205 5.205 -7.426 1.176 1.00 0.00 H new ATOM 0 HA GLN A 205 3.960 -7.524 -1.226 1.00 0.00 H new ATOM 0 HB2 GLN A 205 6.263 -8.387 -0.528 1.00 0.00 H new ATOM 0 HB3 GLN A 205 5.472 -9.860 -0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 205 6.170 -10.420 -2.147 1.00 0.00 H new ATOM 0 HG3 GLN A 205 4.501 -9.959 -2.416 1.00 0.00 H new ATOM 0 HE21 GLN A 205 4.078 -8.521 -3.985 1.00 0.00 H new ATOM 0 HE22 GLN A 205 5.265 -7.431 -4.709 1.00 0.00 H new ATOM 1047 N ALA A 206 2.756 -9.860 0.761 1.00 0.00 N ATOM 1048 CA ALA A 206 1.653 -10.796 0.936 1.00 0.00 C ATOM 1049 C ALA A 206 0.310 -10.110 0.706 1.00 0.00 C ATOM 1050 O ALA A 206 -0.472 -10.527 -0.148 1.00 0.00 O ATOM 1051 CB ALA A 206 1.700 -11.413 2.326 1.00 0.00 C ATOM 0 H ALA A 206 3.367 -9.771 1.573 1.00 0.00 H new ATOM 0 HA ALA A 206 1.760 -11.588 0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 206 0.870 -12.110 2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 206 2.642 -11.945 2.456 1.00 0.00 H new ATOM 0 HB3 ALA A 206 1.621 -10.626 3.076 1.00 0.00 H new ATOM 1057 N ALA A 207 0.049 -9.057 1.473 1.00 0.00 N ATOM 1058 CA ALA A 207 -1.199 -8.314 1.351 1.00 0.00 C ATOM 1059 C ALA A 207 -1.414 -7.834 -0.080 1.00 0.00 C ATOM 1060 O ALA A 207 -2.548 -7.756 -0.554 1.00 0.00 O ATOM 1061 CB ALA A 207 -1.207 -7.134 2.313 1.00 0.00 C ATOM 0 H ALA A 207 0.685 -8.699 2.186 1.00 0.00 H new ATOM 0 HA ALA A 207 -2.019 -8.984 1.609 1.00 0.00 H new ATOM 0 HB1 ALA A 207 -2.145 -6.588 2.211 1.00 0.00 H new ATOM 0 HB2 ALA A 207 -1.108 -7.498 3.336 1.00 0.00 H new ATOM 0 HB3 ALA A 207 -0.374 -6.470 2.082 1.00 0.00 H new ATOM 1067 N ILE A 208 -0.320 -7.512 -0.762 1.00 0.00 N ATOM 1068 CA ILE A 208 -0.390 -7.040 -2.139 1.00 0.00 C ATOM 1069 C ILE A 208 -0.973 -8.109 -3.058 1.00 0.00 C ATOM 1070 O ILE A 208 -2.126 -8.020 -3.477 1.00 0.00 O ATOM 1071 CB ILE A 208 0.998 -6.629 -2.665 1.00 0.00 C ATOM 1072 CG1 ILE A 208 1.482 -5.364 -1.954 1.00 0.00 C ATOM 1073 CG2 ILE A 208 0.951 -6.412 -4.170 1.00 0.00 C ATOM 1074 CD1 ILE A 208 2.948 -5.068 -2.178 1.00 0.00 C ATOM 0 H ILE A 208 0.625 -7.569 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 208 -1.043 -6.167 -2.140 1.00 0.00 H new ATOM 0 HB ILE A 208 1.703 -7.434 -2.456 1.00 0.00 H new ATOM 0 HG12 ILE A 208 0.892 -4.515 -2.298 1.00 0.00 H new ATOM 0 HG13 ILE A 208 1.300 -5.466 -0.884 1.00 0.00 H new ATOM 0 HG21 ILE A 208 1.939 -6.122 -4.527 1.00 0.00 H new ATOM 0 HG22 ILE A 208 0.644 -7.335 -4.661 1.00 0.00 H new ATOM 0 HG23 ILE A 208 0.236 -5.623 -4.402 1.00 0.00 H new ATOM 0 HD11 ILE A 208 3.221 -4.158 -1.645 1.00 0.00 H new ATOM 0 HD12 ILE A 208 3.548 -5.899 -1.808 1.00 0.00 H new ATOM 0 HD13 ILE A 208 3.133 -4.934 -3.244 1.00 0.00 H new ATOM 1086 N ASN A 209 -0.168 -9.121 -3.365 1.00 0.00 N ATOM 1087 CA ASN A 209 -0.604 -10.208 -4.233 1.00 0.00 C ATOM 1088 C ASN A 209 -1.963 -10.745 -3.792 1.00 0.00 C ATOM 1089 O ASN A 209 -2.831 -11.019 -4.620 1.00 0.00 O ATOM 1090 CB ASN A 209 0.428 -11.337 -4.229 1.00 0.00 C ATOM 1091 CG ASN A 209 -0.037 -12.550 -5.012 1.00 0.00 C ATOM 1092 OD1 ASN A 209 -0.675 -13.449 -4.465 1.00 0.00 O ATOM 1093 ND2 ASN A 209 0.281 -12.579 -6.301 1.00 0.00 N ATOM 0 H ASN A 209 0.790 -9.211 -3.025 1.00 0.00 H new ATOM 0 HA ASN A 209 -0.699 -9.815 -5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 209 1.363 -10.972 -4.653 1.00 0.00 H new ATOM 0 HB3 ASN A 209 0.637 -11.631 -3.200 1.00 0.00 H new ATOM 0 HD21 ASN A 209 -0.005 -13.369 -6.879 1.00 0.00 H new ATOM 0 HD22 ASN A 209 0.811 -11.811 -6.713 1.00 0.00 H new ATOM 1100 N ALA A 210 -2.138 -10.891 -2.483 1.00 0.00 N ATOM 1101 CA ALA A 210 -3.391 -11.392 -1.932 1.00 0.00 C ATOM 1102 C ALA A 210 -4.571 -10.538 -2.385 1.00 0.00 C ATOM 1103 O ALA A 210 -5.660 -11.052 -2.641 1.00 0.00 O ATOM 1104 CB ALA A 210 -3.320 -11.433 -0.412 1.00 0.00 C ATOM 0 H ALA A 210 -1.428 -10.670 -1.785 1.00 0.00 H new ATOM 0 HA ALA A 210 -3.544 -12.404 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 210 -4.262 -11.809 -0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 210 -2.507 -12.091 -0.103 1.00 0.00 H new ATOM 0 HB3 ALA A 210 -3.139 -10.429 -0.029 1.00 0.00 H new ATOM 1110 N LEU A 211 -4.347 -9.232 -2.482 1.00 0.00 N ATOM 1111 CA LEU A 211 -5.392 -8.306 -2.904 1.00 0.00 C ATOM 1112 C LEU A 211 -5.103 -7.758 -4.298 1.00 0.00 C ATOM 1113 O LEU A 211 -5.762 -8.127 -5.271 1.00 0.00 O ATOM 1114 CB LEU A 211 -5.514 -7.154 -1.906 1.00 0.00 C ATOM 1115 CG LEU A 211 -5.760 -7.550 -0.450 1.00 0.00 C ATOM 1116 CD1 LEU A 211 -5.635 -6.340 0.462 1.00 0.00 C ATOM 1117 CD2 LEU A 211 -7.129 -8.196 -0.297 1.00 0.00 C ATOM 0 H LEU A 211 -3.451 -8.791 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 211 -6.335 -8.851 -2.936 1.00 0.00 H new ATOM 0 HB2 LEU A 211 -4.600 -6.563 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 211 -6.329 -6.506 -2.228 1.00 0.00 H new ATOM 0 HG LEU A 211 -5.002 -8.277 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 211 -5.814 -6.642 1.494 1.00 0.00 H new ATOM 0 HD12 LEU A 211 -4.633 -5.921 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 211 -6.369 -5.588 0.172 1.00 0.00 H new ATOM 0 HD21 LEU A 211 -7.287 -8.471 0.746 1.00 0.00 H new ATOM 0 HD22 LEU A 211 -7.901 -7.491 -0.607 1.00 0.00 H new ATOM 0 HD23 LEU A 211 -7.182 -9.089 -0.920 1.00 0.00 H new ATOM 1129 N HIS A 212 -4.112 -6.876 -4.388 1.00 0.00 N ATOM 1130 CA HIS A 212 -3.734 -6.279 -5.664 1.00 0.00 C ATOM 1131 C HIS A 212 -3.619 -7.345 -6.750 1.00 0.00 C ATOM 1132 O HIS A 212 -2.938 -8.354 -6.573 1.00 0.00 O ATOM 1133 CB HIS A 212 -2.409 -5.529 -5.527 1.00 0.00 C ATOM 1134 CG HIS A 212 -1.714 -5.297 -6.833 1.00 0.00 C ATOM 1135 ND1 HIS A 212 -2.313 -4.667 -7.903 1.00 0.00 N ATOM 1136 CD2 HIS A 212 -0.462 -5.615 -7.238 1.00 0.00 C ATOM 1137 CE1 HIS A 212 -1.460 -4.608 -8.910 1.00 0.00 C ATOM 1138 NE2 HIS A 212 -0.329 -5.176 -8.532 1.00 0.00 N ATOM 0 H HIS A 212 -3.557 -6.559 -3.593 1.00 0.00 H new ATOM 0 HA HIS A 212 -4.514 -5.574 -5.953 1.00 0.00 H new ATOM 0 HB2 HIS A 212 -2.593 -4.568 -5.047 1.00 0.00 H new ATOM 0 HB3 HIS A 212 -1.748 -6.093 -4.868 1.00 0.00 H new ATOM 0 HD1 HIS A 212 -3.266 -4.303 -7.915 1.00 0.00 H new ATOM 0 HD2 HIS A 212 0.292 -6.120 -6.652 1.00 0.00 H new ATOM 0 HE1 HIS A 212 -1.654 -4.170 -9.878 1.00 0.00 H new ATOM 1146 N GLY A 213 -4.290 -7.112 -7.874 1.00 0.00 N ATOM 1147 CA GLY A 213 -4.251 -8.062 -8.971 1.00 0.00 C ATOM 1148 C GLY A 213 -5.224 -9.208 -8.781 1.00 0.00 C ATOM 1149 O GLY A 213 -5.629 -9.855 -9.747 1.00 0.00 O ATOM 0 H GLY A 213 -4.859 -6.283 -8.045 1.00 0.00 H new ATOM 0 HA2 GLY A 213 -4.481 -7.545 -9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 213 -3.241 -8.460 -9.067 1.00 0.00 H new ATOM 1153 N SER A 214 -5.599 -9.463 -7.531 1.00 0.00 N ATOM 1154 CA SER A 214 -6.526 -10.544 -7.217 1.00 0.00 C ATOM 1155 C SER A 214 -7.966 -10.039 -7.211 1.00 0.00 C ATOM 1156 O SER A 214 -8.753 -10.366 -8.100 1.00 0.00 O ATOM 1157 CB SER A 214 -6.184 -11.159 -5.858 1.00 0.00 C ATOM 1158 OG SER A 214 -6.822 -12.413 -5.691 1.00 0.00 O ATOM 0 H SER A 214 -5.275 -8.936 -6.720 1.00 0.00 H new ATOM 0 HA SER A 214 -6.430 -11.308 -7.988 1.00 0.00 H new ATOM 0 HB2 SER A 214 -5.104 -11.282 -5.772 1.00 0.00 H new ATOM 0 HB3 SER A 214 -6.492 -10.482 -5.061 1.00 0.00 H new ATOM 0 HG SER A 214 -6.586 -12.786 -4.816 1.00 0.00 H new ATOM 1164 N GLN A 215 -8.303 -9.242 -6.203 1.00 0.00 N ATOM 1165 CA GLN A 215 -9.649 -8.693 -6.080 1.00 0.00 C ATOM 1166 C GLN A 215 -9.781 -7.395 -6.872 1.00 0.00 C ATOM 1167 O GLN A 215 -8.784 -6.763 -7.220 1.00 0.00 O ATOM 1168 CB GLN A 215 -9.989 -8.444 -4.610 1.00 0.00 C ATOM 1169 CG GLN A 215 -9.597 -9.591 -3.692 1.00 0.00 C ATOM 1170 CD GLN A 215 -10.682 -10.644 -3.579 1.00 0.00 C ATOM 1171 OE1 GLN A 215 -11.408 -10.910 -4.538 1.00 0.00 O ATOM 1172 NE2 GLN A 215 -10.798 -11.251 -2.404 1.00 0.00 N ATOM 0 H GLN A 215 -7.663 -8.962 -5.460 1.00 0.00 H new ATOM 0 HA GLN A 215 -10.350 -9.421 -6.489 1.00 0.00 H new ATOM 0 HB2 GLN A 215 -9.486 -7.536 -4.278 1.00 0.00 H new ATOM 0 HB3 GLN A 215 -11.061 -8.266 -4.519 1.00 0.00 H new ATOM 0 HG2 GLN A 215 -8.684 -10.054 -4.065 1.00 0.00 H new ATOM 0 HG3 GLN A 215 -9.373 -9.198 -2.700 1.00 0.00 H new ATOM 0 HE21 GLN A 215 -10.175 -10.999 -1.636 1.00 0.00 H new ATOM 0 HE22 GLN A 215 -11.510 -11.969 -2.269 1.00 0.00 H new ATOM 1181 N THR A 216 -11.020 -7.004 -7.154 1.00 0.00 N ATOM 1182 CA THR A 216 -11.283 -5.783 -7.905 1.00 0.00 C ATOM 1183 C THR A 216 -12.296 -4.901 -7.184 1.00 0.00 C ATOM 1184 O THR A 216 -13.481 -5.224 -7.122 1.00 0.00 O ATOM 1185 CB THR A 216 -11.808 -6.096 -9.319 1.00 0.00 C ATOM 1186 OG1 THR A 216 -10.904 -6.979 -9.993 1.00 0.00 O ATOM 1187 CG2 THR A 216 -11.976 -4.820 -10.129 1.00 0.00 C ATOM 0 H THR A 216 -11.857 -7.515 -6.874 1.00 0.00 H new ATOM 0 HA THR A 216 -10.335 -5.251 -7.986 1.00 0.00 H new ATOM 0 HB THR A 216 -12.781 -6.577 -9.223 1.00 0.00 H new ATOM 0 HG1 THR A 216 -11.246 -7.174 -10.890 1.00 0.00 H new ATOM 0 HG21 THR A 216 -12.348 -5.067 -11.124 1.00 0.00 H new ATOM 0 HG22 THR A 216 -12.687 -4.162 -9.629 1.00 0.00 H new ATOM 0 HG23 THR A 216 -11.014 -4.315 -10.216 1.00 0.00 H new ATOM 1195 N MET A 217 -11.820 -3.786 -6.639 1.00 0.00 N ATOM 1196 CA MET A 217 -12.685 -2.856 -5.923 1.00 0.00 C ATOM 1197 C MET A 217 -14.050 -2.754 -6.597 1.00 0.00 C ATOM 1198 O MET A 217 -14.204 -3.036 -7.786 1.00 0.00 O ATOM 1199 CB MET A 217 -12.034 -1.473 -5.851 1.00 0.00 C ATOM 1200 CG MET A 217 -10.913 -1.382 -4.829 1.00 0.00 C ATOM 1201 SD MET A 217 -11.507 -1.514 -3.132 1.00 0.00 S ATOM 1202 CE MET A 217 -10.503 -2.867 -2.526 1.00 0.00 C ATOM 0 H MET A 217 -10.840 -3.505 -6.680 1.00 0.00 H new ATOM 0 HA MET A 217 -12.827 -3.236 -4.911 1.00 0.00 H new ATOM 0 HB2 MET A 217 -11.640 -1.214 -6.834 1.00 0.00 H new ATOM 0 HB3 MET A 217 -12.797 -0.733 -5.608 1.00 0.00 H new ATOM 0 HG2 MET A 217 -10.189 -2.174 -5.019 1.00 0.00 H new ATOM 0 HG3 MET A 217 -10.389 -0.434 -4.954 1.00 0.00 H new ATOM 0 HE1 MET A 217 -11.136 -3.735 -2.340 1.00 0.00 H new ATOM 0 HE2 MET A 217 -9.748 -3.121 -3.270 1.00 0.00 H new ATOM 0 HE3 MET A 217 -10.014 -2.570 -1.598 1.00 0.00 H new ATOM 1212 N PRO A 218 -15.064 -2.342 -5.823 1.00 0.00 N ATOM 1213 CA PRO A 218 -16.434 -2.194 -6.325 1.00 0.00 C ATOM 1214 C PRO A 218 -16.579 -1.006 -7.270 1.00 0.00 C ATOM 1215 O PRO A 218 -16.448 0.146 -6.859 1.00 0.00 O ATOM 1216 CB PRO A 218 -17.255 -1.969 -5.053 1.00 0.00 C ATOM 1217 CG PRO A 218 -16.296 -1.369 -4.083 1.00 0.00 C ATOM 1218 CD PRO A 218 -14.953 -1.989 -4.398 1.00 0.00 C ATOM 0 HA PRO A 218 -16.752 -3.060 -6.906 1.00 0.00 H new ATOM 0 HB2 PRO A 218 -18.098 -1.304 -5.239 1.00 0.00 H new ATOM 0 HB3 PRO A 218 -17.665 -2.906 -4.676 1.00 0.00 H new ATOM 0 HG2 PRO A 218 -16.261 -0.285 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 218 -16.594 -1.581 -3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 218 -14.136 -1.289 -4.220 1.00 0.00 H new ATOM 0 HD3 PRO A 218 -14.761 -2.867 -3.781 1.00 0.00 H new ATOM 1226 N GLY A 219 -16.851 -1.295 -8.539 1.00 0.00 N ATOM 1227 CA GLY A 219 -17.010 -0.239 -9.522 1.00 0.00 C ATOM 1228 C GLY A 219 -15.919 -0.257 -10.574 1.00 0.00 C ATOM 1229 O GLY A 219 -16.194 -0.129 -11.766 1.00 0.00 O ATOM 0 H GLY A 219 -16.964 -2.241 -8.904 1.00 0.00 H new ATOM 0 HA2 GLY A 219 -17.980 -0.342 -10.008 1.00 0.00 H new ATOM 0 HA3 GLY A 219 -17.007 0.727 -9.017 1.00 0.00 H new ATOM 1233 N ALA A 220 -14.675 -0.416 -10.131 1.00 0.00 N ATOM 1234 CA ALA A 220 -13.539 -0.450 -11.043 1.00 0.00 C ATOM 1235 C ALA A 220 -13.529 -1.738 -11.860 1.00 0.00 C ATOM 1236 O ALA A 220 -13.861 -2.809 -11.352 1.00 0.00 O ATOM 1237 CB ALA A 220 -12.237 -0.304 -10.269 1.00 0.00 C ATOM 0 H ALA A 220 -14.430 -0.523 -9.147 1.00 0.00 H new ATOM 0 HA ALA A 220 -13.634 0.387 -11.734 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -11.396 -0.331 -10.962 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -12.236 0.646 -9.735 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -12.145 -1.122 -9.555 1.00 0.00 H new ATOM 1243 N SER A 221 -13.148 -1.626 -13.128 1.00 0.00 N ATOM 1244 CA SER A 221 -13.099 -2.781 -14.017 1.00 0.00 C ATOM 1245 C SER A 221 -11.718 -3.428 -13.992 1.00 0.00 C ATOM 1246 O SER A 221 -11.541 -4.556 -14.452 1.00 0.00 O ATOM 1247 CB SER A 221 -13.455 -2.366 -15.446 1.00 0.00 C ATOM 1248 OG SER A 221 -14.811 -1.966 -15.538 1.00 0.00 O ATOM 0 H SER A 221 -12.869 -0.747 -13.563 1.00 0.00 H new ATOM 0 HA SER A 221 -13.829 -3.510 -13.665 1.00 0.00 H new ATOM 0 HB2 SER A 221 -12.809 -1.547 -15.762 1.00 0.00 H new ATOM 0 HB3 SER A 221 -13.271 -3.198 -16.126 1.00 0.00 H new ATOM 0 HG SER A 221 -15.013 -1.704 -16.461 1.00 0.00 H new ATOM 1254 N SER A 222 -10.742 -2.705 -13.452 1.00 0.00 N ATOM 1255 CA SER A 222 -9.375 -3.206 -13.370 1.00 0.00 C ATOM 1256 C SER A 222 -9.075 -3.738 -11.972 1.00 0.00 C ATOM 1257 O SER A 222 -9.534 -3.185 -10.973 1.00 0.00 O ATOM 1258 CB SER A 222 -8.382 -2.100 -13.731 1.00 0.00 C ATOM 1259 OG SER A 222 -8.150 -2.059 -15.129 1.00 0.00 O ATOM 0 H SER A 222 -10.873 -1.770 -13.065 1.00 0.00 H new ATOM 0 HA SER A 222 -9.271 -4.025 -14.082 1.00 0.00 H new ATOM 0 HB2 SER A 222 -8.767 -1.137 -13.395 1.00 0.00 H new ATOM 0 HB3 SER A 222 -7.441 -2.267 -13.208 1.00 0.00 H new ATOM 0 HG SER A 222 -7.513 -1.343 -15.334 1.00 0.00 H new ATOM 1265 N SER A 223 -8.300 -4.817 -11.910 1.00 0.00 N ATOM 1266 CA SER A 223 -7.941 -5.427 -10.636 1.00 0.00 C ATOM 1267 C SER A 223 -7.381 -4.385 -9.673 1.00 0.00 C ATOM 1268 O SER A 223 -6.936 -3.314 -10.088 1.00 0.00 O ATOM 1269 CB SER A 223 -6.915 -6.542 -10.852 1.00 0.00 C ATOM 1270 OG SER A 223 -5.999 -6.200 -11.878 1.00 0.00 O ATOM 0 H SER A 223 -7.909 -5.286 -12.727 1.00 0.00 H new ATOM 0 HA SER A 223 -8.844 -5.853 -10.198 1.00 0.00 H new ATOM 0 HB2 SER A 223 -6.374 -6.727 -9.924 1.00 0.00 H new ATOM 0 HB3 SER A 223 -7.428 -7.468 -11.112 1.00 0.00 H new ATOM 0 HG SER A 223 -5.353 -6.927 -11.996 1.00 0.00 H new ATOM 1276 N LEU A 224 -7.407 -4.706 -8.384 1.00 0.00 N ATOM 1277 CA LEU A 224 -6.903 -3.798 -7.359 1.00 0.00 C ATOM 1278 C LEU A 224 -5.470 -3.374 -7.665 1.00 0.00 C ATOM 1279 O LEU A 224 -4.732 -4.087 -8.346 1.00 0.00 O ATOM 1280 CB LEU A 224 -6.967 -4.464 -5.984 1.00 0.00 C ATOM 1281 CG LEU A 224 -6.263 -3.724 -4.846 1.00 0.00 C ATOM 1282 CD1 LEU A 224 -6.878 -2.348 -4.644 1.00 0.00 C ATOM 1283 CD2 LEU A 224 -6.331 -4.534 -3.560 1.00 0.00 C ATOM 0 H LEU A 224 -7.772 -5.588 -8.024 1.00 0.00 H new ATOM 0 HA LEU A 224 -7.533 -2.908 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 224 -8.015 -4.593 -5.713 1.00 0.00 H new ATOM 0 HB3 LEU A 224 -6.534 -5.461 -6.065 1.00 0.00 H new ATOM 0 HG LEU A 224 -5.215 -3.596 -5.116 1.00 0.00 H new ATOM 0 HD11 LEU A 224 -6.365 -1.836 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 224 -6.777 -1.766 -5.560 1.00 0.00 H new ATOM 0 HD13 LEU A 224 -7.934 -2.454 -4.397 1.00 0.00 H new ATOM 0 HD21 LEU A 224 -5.825 -3.992 -2.761 1.00 0.00 H new ATOM 0 HD22 LEU A 224 -7.374 -4.694 -3.286 1.00 0.00 H new ATOM 0 HD23 LEU A 224 -5.843 -5.497 -3.710 1.00 0.00 H new ATOM 1295 N VAL A 225 -5.081 -2.209 -7.156 1.00 0.00 N ATOM 1296 CA VAL A 225 -3.736 -1.691 -7.372 1.00 0.00 C ATOM 1297 C VAL A 225 -3.068 -1.328 -6.050 1.00 0.00 C ATOM 1298 O VAL A 225 -3.431 -0.341 -5.410 1.00 0.00 O ATOM 1299 CB VAL A 225 -3.751 -0.451 -8.284 1.00 0.00 C ATOM 1300 CG1 VAL A 225 -2.337 0.056 -8.521 1.00 0.00 C ATOM 1301 CG2 VAL A 225 -4.440 -0.769 -9.603 1.00 0.00 C ATOM 0 H VAL A 225 -5.679 -1.606 -6.591 1.00 0.00 H new ATOM 0 HA VAL A 225 -3.167 -2.483 -7.858 1.00 0.00 H new ATOM 0 HB VAL A 225 -4.315 0.338 -7.786 1.00 0.00 H new ATOM 0 HG11 VAL A 225 -2.368 0.933 -9.168 1.00 0.00 H new ATOM 0 HG12 VAL A 225 -1.882 0.325 -7.568 1.00 0.00 H new ATOM 0 HG13 VAL A 225 -1.745 -0.726 -8.998 1.00 0.00 H new ATOM 0 HG21 VAL A 225 -4.442 0.119 -10.236 1.00 0.00 H new ATOM 0 HG22 VAL A 225 -3.905 -1.574 -10.108 1.00 0.00 H new ATOM 0 HG23 VAL A 225 -5.467 -1.080 -9.411 1.00 0.00 H new ATOM 1311 N VAL A 226 -2.090 -2.132 -5.646 1.00 0.00 N ATOM 1312 CA VAL A 226 -1.369 -1.894 -4.401 1.00 0.00 C ATOM 1313 C VAL A 226 0.136 -2.029 -4.602 1.00 0.00 C ATOM 1314 O VAL A 226 0.669 -3.137 -4.662 1.00 0.00 O ATOM 1315 CB VAL A 226 -1.819 -2.871 -3.298 1.00 0.00 C ATOM 1316 CG1 VAL A 226 -1.186 -2.499 -1.966 1.00 0.00 C ATOM 1317 CG2 VAL A 226 -3.336 -2.890 -3.190 1.00 0.00 C ATOM 0 H VAL A 226 -1.778 -2.954 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 226 -1.600 -0.875 -4.091 1.00 0.00 H new ATOM 0 HB VAL A 226 -1.484 -3.873 -3.565 1.00 0.00 H new ATOM 0 HG11 VAL A 226 -1.515 -3.200 -1.199 1.00 0.00 H new ATOM 0 HG12 VAL A 226 -0.100 -2.541 -2.055 1.00 0.00 H new ATOM 0 HG13 VAL A 226 -1.488 -1.489 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 226 -3.636 -3.585 -2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 226 -3.696 -1.891 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 226 -3.764 -3.208 -4.141 1.00 0.00 H new ATOM 1327 N LYS A 227 0.817 -0.893 -4.707 1.00 0.00 N ATOM 1328 CA LYS A 227 2.262 -0.883 -4.899 1.00 0.00 C ATOM 1329 C LYS A 227 2.934 0.083 -3.928 1.00 0.00 C ATOM 1330 O LYS A 227 2.396 1.148 -3.625 1.00 0.00 O ATOM 1331 CB LYS A 227 2.603 -0.493 -6.340 1.00 0.00 C ATOM 1332 CG LYS A 227 2.025 0.848 -6.759 1.00 0.00 C ATOM 1333 CD LYS A 227 1.727 0.885 -8.249 1.00 0.00 C ATOM 1334 CE LYS A 227 2.971 1.215 -9.058 1.00 0.00 C ATOM 1335 NZ LYS A 227 2.729 1.094 -10.523 1.00 0.00 N ATOM 0 H LYS A 227 0.391 0.033 -4.662 1.00 0.00 H new ATOM 0 HA LYS A 227 2.636 -1.888 -4.702 1.00 0.00 H new ATOM 0 HB2 LYS A 227 3.687 -0.464 -6.453 1.00 0.00 H new ATOM 0 HB3 LYS A 227 2.233 -1.266 -7.014 1.00 0.00 H new ATOM 0 HG2 LYS A 227 1.110 1.042 -6.199 1.00 0.00 H new ATOM 0 HG3 LYS A 227 2.727 1.643 -6.507 1.00 0.00 H new ATOM 0 HD2 LYS A 227 1.331 -0.080 -8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 227 0.954 1.628 -8.448 1.00 0.00 H new ATOM 0 HE2 LYS A 227 3.296 2.229 -8.826 1.00 0.00 H new ATOM 0 HE3 LYS A 227 3.781 0.546 -8.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 227 3.601 1.327 -11.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 227 2.443 0.120 -10.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 227 1.974 1.751 -10.805 1.00 0.00 H new ATOM 1349 N PHE A 228 4.112 -0.296 -3.444 1.00 0.00 N ATOM 1350 CA PHE A 228 4.858 0.537 -2.508 1.00 0.00 C ATOM 1351 C PHE A 228 4.836 1.999 -2.944 1.00 0.00 C ATOM 1352 O PHE A 228 4.756 2.302 -4.134 1.00 0.00 O ATOM 1353 CB PHE A 228 6.303 0.048 -2.396 1.00 0.00 C ATOM 1354 CG PHE A 228 6.420 -1.435 -2.188 1.00 0.00 C ATOM 1355 CD1 PHE A 228 6.231 -1.988 -0.932 1.00 0.00 C ATOM 1356 CD2 PHE A 228 6.720 -2.275 -3.248 1.00 0.00 C ATOM 1357 CE1 PHE A 228 6.337 -3.352 -0.737 1.00 0.00 C ATOM 1358 CE2 PHE A 228 6.827 -3.640 -3.059 1.00 0.00 C ATOM 1359 CZ PHE A 228 6.637 -4.179 -1.802 1.00 0.00 C ATOM 0 H PHE A 228 4.571 -1.175 -3.684 1.00 0.00 H new ATOM 0 HA PHE A 228 4.380 0.460 -1.532 1.00 0.00 H new ATOM 0 HB2 PHE A 228 6.842 0.323 -3.302 1.00 0.00 H new ATOM 0 HB3 PHE A 228 6.789 0.562 -1.567 1.00 0.00 H new ATOM 0 HD1 PHE A 228 5.998 -1.346 -0.096 1.00 0.00 H new ATOM 0 HD2 PHE A 228 6.872 -1.859 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 228 6.185 -3.771 0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 228 7.059 -4.285 -3.894 1.00 0.00 H new ATOM 0 HZ PHE A 228 6.723 -5.245 -1.652 1.00 0.00 H new