USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 439 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 Single : A 421 LYS NZ :NH3+ 147:sc= -0.504 (180deg=-1.66) USER MOD Single : A 423 TYR OH : rot 180:sc= 0 USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 427 GLN : amide:sc= -3.87 X(o=-3.9,f=-3.5!) USER MOD Single : A 429 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 430 ASN : amide:sc= -0.125 X(o=-0.13,f=0) USER MOD Single : A 431 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 435 GLN :FLIP amide:sc= 0 F(o=-0.93,f=0) USER MOD Single : A 437 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0204) USER MOD Single : A 439 THR OG1 : rot -160:sc= 0 USER MOD Single : A 443 LYS NZ :NH3+ 165:sc= -0.573 (180deg=-0.84) USER MOD Single : A 445 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 446 GLN : amide:sc= -0.348 X(o=-0.35,f=-0.07) USER MOD Single : A 447 HIS :FLIP no HE2:sc= -14! C(o=-16!,f=-14!) USER MOD Single : A 449 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 ASN : amide:sc= -8.32! C(o=-8.3!,f=-14!) USER MOD Single : A 456 SER OG : rot 180:sc= 0 USER MOD Single : A 461 LYS NZ :NH3+ -163:sc= -1.18! (180deg=-2.4) USER MOD Single : A 462 THR OG1 : rot 180:sc= 0.063 USER MOD Single : A 466 CYS SG : rot 32:sc= -1.14 USER MOD Single : A 469 TYR OH : rot 30:sc= -2.55! USER MOD Single : A 470 TYR OH : rot 180:sc= 0 USER MOD Single : A 471 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 111 N LYS A 421 -0.944 -4.816 8.926 1.00 10.00 N ATOM 112 CA LYS A 421 -1.461 -4.972 7.572 1.00 10.00 C ATOM 113 C LYS A 421 -0.333 -5.111 6.570 1.00 10.00 C ATOM 114 O LYS A 421 0.291 -4.127 6.177 1.00 10.00 O ATOM 115 CB LYS A 421 -2.356 -3.810 7.178 1.00 10.00 C ATOM 116 CG LYS A 421 -3.218 -4.129 5.973 1.00 10.00 C ATOM 117 CD LYS A 421 -2.386 -4.409 4.732 1.00 10.00 C ATOM 118 CE LYS A 421 -3.142 -4.059 3.461 1.00 10.00 C ATOM 119 NZ LYS A 421 -3.393 -5.261 2.617 1.00 10.00 N ATOM 0 HA LYS A 421 -2.057 -5.884 7.563 1.00 10.00 H new ATOM 0 HB2 LYS A 421 -2.996 -3.546 8.020 1.00 10.00 H new ATOM 0 HB3 LYS A 421 -1.740 -2.938 6.960 1.00 10.00 H new ATOM 0 HG2 LYS A 421 -3.842 -4.995 6.193 1.00 10.00 H new ATOM 0 HG3 LYS A 421 -3.890 -3.293 5.777 1.00 10.00 H new ATOM 0 HD2 LYS A 421 -1.461 -3.834 4.776 1.00 10.00 H new ATOM 0 HD3 LYS A 421 -2.106 -5.462 4.711 1.00 10.00 H new ATOM 0 HE2 LYS A 421 -4.092 -3.592 3.720 1.00 10.00 H new ATOM 0 HE3 LYS A 421 -2.572 -3.326 2.889 1.00 10.00 H new ATOM 0 HZ1 LYS A 421 -4.300 -5.153 2.119 1.00 10.00 H new ATOM 0 HZ2 LYS A 421 -2.626 -5.363 1.922 1.00 10.00 H new ATOM 0 HZ3 LYS A 421 -3.428 -6.107 3.220 1.00 10.00 H new ATOM 133 N VAL A 422 -0.084 -6.346 6.162 1.00 10.00 N ATOM 134 CA VAL A 422 0.964 -6.641 5.209 1.00 10.00 C ATOM 135 C VAL A 422 1.056 -8.146 4.984 1.00 10.00 C ATOM 136 O VAL A 422 1.142 -8.621 3.853 1.00 10.00 O ATOM 137 CB VAL A 422 2.309 -6.075 5.695 1.00 10.00 C ATOM 138 CG1 VAL A 422 2.934 -6.962 6.764 1.00 10.00 C ATOM 139 CG2 VAL A 422 3.263 -5.876 4.529 1.00 10.00 C ATOM 0 H VAL A 422 -0.602 -7.164 6.482 1.00 10.00 H new ATOM 0 HA VAL A 422 0.722 -6.164 4.259 1.00 10.00 H new ATOM 0 HB VAL A 422 2.115 -5.103 6.148 1.00 10.00 H new ATOM 0 HG11 VAL A 422 3.883 -6.532 7.084 1.00 10.00 H new ATOM 0 HG12 VAL A 422 2.260 -7.032 7.618 1.00 10.00 H new ATOM 0 HG13 VAL A 422 3.106 -7.958 6.355 1.00 10.00 H new ATOM 0 HG21 VAL A 422 4.208 -5.475 4.896 1.00 10.00 H new ATOM 0 HG22 VAL A 422 3.441 -6.832 4.037 1.00 10.00 H new ATOM 0 HG23 VAL A 422 2.825 -5.178 3.816 1.00 10.00 H new ATOM 149 N TYR A 423 1.002 -8.877 6.089 1.00 10.00 N ATOM 150 CA TYR A 423 1.030 -10.338 6.089 1.00 10.00 C ATOM 151 C TYR A 423 0.227 -10.892 4.915 1.00 10.00 C ATOM 152 O TYR A 423 0.587 -11.912 4.326 1.00 10.00 O ATOM 153 CB TYR A 423 0.440 -10.844 7.413 1.00 10.00 C ATOM 154 CG TYR A 423 -0.861 -10.161 7.768 1.00 10.00 C ATOM 155 CD1 TYR A 423 -0.868 -8.820 8.097 1.00 10.00 C ATOM 156 CD2 TYR A 423 -2.074 -10.835 7.748 1.00 10.00 C ATOM 157 CE1 TYR A 423 -2.023 -8.156 8.396 1.00 10.00 C ATOM 158 CE2 TYR A 423 -3.254 -10.178 8.054 1.00 10.00 C ATOM 159 CZ TYR A 423 -3.223 -8.834 8.378 1.00 10.00 C ATOM 160 OH TYR A 423 -4.391 -8.173 8.678 1.00 10.00 O ATOM 0 H TYR A 423 0.937 -8.470 7.022 1.00 10.00 H new ATOM 0 HA TYR A 423 2.060 -10.679 5.986 1.00 10.00 H new ATOM 0 HB2 TYR A 423 0.275 -11.919 7.346 1.00 10.00 H new ATOM 0 HB3 TYR A 423 1.162 -10.682 8.214 1.00 10.00 H new ATOM 0 HD1 TYR A 423 0.067 -8.281 8.118 1.00 10.00 H new ATOM 0 HD2 TYR A 423 -2.098 -11.884 7.491 1.00 10.00 H new ATOM 0 HE1 TYR A 423 -1.997 -7.105 8.645 1.00 10.00 H new ATOM 0 HE2 TYR A 423 -4.193 -10.712 8.040 1.00 10.00 H new ATOM 0 HH TYR A 423 -5.145 -8.797 8.618 1.00 10.00 H new ATOM 170 N LYS A 424 -0.857 -10.198 4.570 1.00 10.00 N ATOM 171 CA LYS A 424 -1.705 -10.607 3.455 1.00 10.00 C ATOM 172 C LYS A 424 -1.376 -9.785 2.212 1.00 10.00 C ATOM 173 O LYS A 424 -1.534 -10.247 1.083 1.00 10.00 O ATOM 174 CB LYS A 424 -3.181 -10.442 3.818 1.00 10.00 C ATOM 175 CG LYS A 424 -3.664 -11.429 4.867 1.00 10.00 C ATOM 176 CD LYS A 424 -4.324 -12.641 4.229 1.00 10.00 C ATOM 177 CE LYS A 424 -3.362 -13.814 4.136 1.00 10.00 C ATOM 178 NZ LYS A 424 -4.055 -15.118 4.326 1.00 10.00 N ATOM 0 H LYS A 424 -1.167 -9.351 5.047 1.00 10.00 H new ATOM 0 HA LYS A 424 -1.514 -11.659 3.243 1.00 10.00 H new ATOM 0 HB2 LYS A 424 -3.346 -9.428 4.182 1.00 10.00 H new ATOM 0 HB3 LYS A 424 -3.783 -10.559 2.917 1.00 10.00 H new ATOM 0 HG2 LYS A 424 -2.822 -11.752 5.479 1.00 10.00 H new ATOM 0 HG3 LYS A 424 -4.372 -10.936 5.533 1.00 10.00 H new ATOM 0 HD2 LYS A 424 -5.197 -12.931 4.813 1.00 10.00 H new ATOM 0 HD3 LYS A 424 -4.679 -12.381 3.232 1.00 10.00 H new ATOM 0 HE2 LYS A 424 -2.869 -13.803 3.164 1.00 10.00 H new ATOM 0 HE3 LYS A 424 -2.582 -13.704 4.890 1.00 10.00 H new ATOM 0 HZ1 LYS A 424 -3.364 -15.892 4.255 1.00 10.00 H new ATOM 0 HZ2 LYS A 424 -4.504 -15.139 5.264 1.00 10.00 H new ATOM 0 HZ3 LYS A 424 -4.782 -15.235 3.592 1.00 10.00 H new ATOM 192 N ASP A 425 -0.912 -8.561 2.438 1.00 10.00 N ATOM 193 CA ASP A 425 -0.548 -7.655 1.357 1.00 10.00 C ATOM 194 C ASP A 425 0.557 -8.247 0.480 1.00 10.00 C ATOM 195 O ASP A 425 0.737 -7.833 -0.663 1.00 10.00 O ATOM 196 CB ASP A 425 -0.085 -6.316 1.936 1.00 10.00 C ATOM 197 CG ASP A 425 -0.044 -5.210 0.901 1.00 10.00 C ATOM 198 OD1 ASP A 425 -1.020 -5.076 0.136 1.00 10.00 O ATOM 199 OD2 ASP A 425 0.965 -4.475 0.859 1.00 10.00 O ATOM 0 H ASP A 425 -0.778 -8.171 3.371 1.00 10.00 H new ATOM 0 HA ASP A 425 -1.430 -7.502 0.734 1.00 10.00 H new ATOM 0 HB2 ASP A 425 -0.754 -6.025 2.746 1.00 10.00 H new ATOM 0 HB3 ASP A 425 0.907 -6.437 2.371 1.00 10.00 H new ATOM 204 N ARG A 426 1.298 -9.212 1.021 1.00 10.00 N ATOM 205 CA ARG A 426 2.390 -9.847 0.282 1.00 10.00 C ATOM 206 C ARG A 426 1.955 -10.248 -1.128 1.00 10.00 C ATOM 207 O ARG A 426 2.770 -10.286 -2.049 1.00 10.00 O ATOM 208 CB ARG A 426 2.905 -11.071 1.043 1.00 10.00 C ATOM 209 CG ARG A 426 4.378 -10.981 1.410 1.00 10.00 C ATOM 210 CD ARG A 426 4.963 -12.353 1.708 1.00 10.00 C ATOM 211 NE ARG A 426 5.046 -13.185 0.510 1.00 10.00 N ATOM 212 CZ ARG A 426 5.938 -13.000 -0.460 1.00 10.00 C ATOM 213 NH1 ARG A 426 6.826 -12.016 -0.376 1.00 10.00 N ATOM 214 NH2 ARG A 426 5.945 -13.802 -1.516 1.00 10.00 N ATOM 0 H ARG A 426 1.164 -9.571 1.966 1.00 10.00 H new ATOM 0 HA ARG A 426 3.195 -9.118 0.189 1.00 10.00 H new ATOM 0 HB2 ARG A 426 2.319 -11.196 1.953 1.00 10.00 H new ATOM 0 HB3 ARG A 426 2.744 -11.961 0.435 1.00 10.00 H new ATOM 0 HG2 ARG A 426 4.930 -10.519 0.592 1.00 10.00 H new ATOM 0 HG3 ARG A 426 4.498 -10.336 2.280 1.00 10.00 H new ATOM 0 HD2 ARG A 426 5.958 -12.237 2.138 1.00 10.00 H new ATOM 0 HD3 ARG A 426 4.348 -12.854 2.456 1.00 10.00 H new ATOM 0 HE ARG A 426 4.381 -13.952 0.411 1.00 10.00 H new ATOM 0 HH11 ARG A 426 6.827 -11.397 0.435 1.00 10.00 H new ATOM 0 HH12 ARG A 426 7.507 -11.879 -1.122 1.00 10.00 H new ATOM 0 HH21 ARG A 426 5.267 -14.561 -1.585 1.00 10.00 H new ATOM 0 HH22 ARG A 426 6.629 -13.660 -2.260 1.00 10.00 H new ATOM 228 N GLN A 427 0.667 -10.532 -1.290 1.00 10.00 N ATOM 229 CA GLN A 427 0.130 -10.915 -2.593 1.00 10.00 C ATOM 230 C GLN A 427 -0.523 -9.716 -3.266 1.00 10.00 C ATOM 231 O GLN A 427 -1.503 -9.850 -3.999 1.00 10.00 O ATOM 232 CB GLN A 427 -0.881 -12.056 -2.443 1.00 10.00 C ATOM 233 CG GLN A 427 -0.486 -13.090 -1.399 1.00 10.00 C ATOM 234 CD GLN A 427 -0.914 -12.698 0.004 1.00 10.00 C ATOM 235 OE1 GLN A 427 -2.102 -12.520 0.275 1.00 10.00 O ATOM 236 NE2 GLN A 427 0.055 -12.563 0.903 1.00 10.00 N ATOM 0 H GLN A 427 -0.023 -10.505 -0.539 1.00 10.00 H new ATOM 0 HA GLN A 427 0.953 -11.263 -3.218 1.00 10.00 H new ATOM 0 HB2 GLN A 427 -1.852 -11.637 -2.177 1.00 10.00 H new ATOM 0 HB3 GLN A 427 -1.001 -12.552 -3.406 1.00 10.00 H new ATOM 0 HG2 GLN A 427 -0.934 -14.050 -1.656 1.00 10.00 H new ATOM 0 HG3 GLN A 427 0.595 -13.227 -1.420 1.00 10.00 H new ATOM 0 HE21 GLN A 427 1.026 -12.720 0.634 1.00 10.00 H new ATOM 0 HE22 GLN A 427 -0.172 -12.302 1.862 1.00 10.00 H new ATOM 245 N VAL A 428 0.039 -8.545 -3.005 1.00 10.00 N ATOM 246 CA VAL A 428 -0.459 -7.301 -3.569 1.00 10.00 C ATOM 247 C VAL A 428 0.607 -6.638 -4.426 1.00 10.00 C ATOM 248 O VAL A 428 0.296 -5.990 -5.425 1.00 10.00 O ATOM 249 CB VAL A 428 -0.911 -6.335 -2.463 1.00 10.00 C ATOM 250 CG1 VAL A 428 -1.336 -4.993 -3.042 1.00 10.00 C ATOM 251 CG2 VAL A 428 -2.038 -6.961 -1.660 1.00 10.00 C ATOM 0 H VAL A 428 0.851 -8.431 -2.398 1.00 10.00 H new ATOM 0 HA VAL A 428 -1.320 -7.541 -4.193 1.00 10.00 H new ATOM 0 HB VAL A 428 -0.066 -6.150 -1.799 1.00 10.00 H new ATOM 0 HG11 VAL A 428 -1.650 -4.332 -2.235 1.00 10.00 H new ATOM 0 HG12 VAL A 428 -0.497 -4.544 -3.573 1.00 10.00 H new ATOM 0 HG13 VAL A 428 -2.166 -5.141 -3.733 1.00 10.00 H new ATOM 0 HG21 VAL A 428 -2.354 -6.271 -0.877 1.00 10.00 H new ATOM 0 HG22 VAL A 428 -2.880 -7.173 -2.319 1.00 10.00 H new ATOM 0 HG23 VAL A 428 -1.690 -7.889 -1.207 1.00 10.00 H new ATOM 261 N MET A 429 1.869 -6.822 -4.048 1.00 10.00 N ATOM 262 CA MET A 429 2.978 -6.255 -4.810 1.00 10.00 C ATOM 263 C MET A 429 2.783 -6.515 -6.303 1.00 10.00 C ATOM 264 O MET A 429 3.275 -5.767 -7.148 1.00 10.00 O ATOM 265 CB MET A 429 4.308 -6.856 -4.347 1.00 10.00 C ATOM 266 CG MET A 429 4.407 -8.357 -4.571 1.00 10.00 C ATOM 267 SD MET A 429 6.096 -8.902 -4.890 1.00 10.00 S ATOM 268 CE MET A 429 6.833 -8.685 -3.272 1.00 10.00 C ATOM 0 H MET A 429 2.148 -7.355 -3.225 1.00 10.00 H new ATOM 0 HA MET A 429 2.999 -5.179 -4.637 1.00 10.00 H new ATOM 0 HB2 MET A 429 5.124 -6.363 -4.876 1.00 10.00 H new ATOM 0 HB3 MET A 429 4.443 -6.645 -3.286 1.00 10.00 H new ATOM 0 HG2 MET A 429 4.021 -8.877 -3.695 1.00 10.00 H new ATOM 0 HG3 MET A 429 3.774 -8.637 -5.413 1.00 10.00 H new ATOM 0 HE1 MET A 429 7.881 -8.981 -3.307 1.00 10.00 H new ATOM 0 HE2 MET A 429 6.761 -7.638 -2.977 1.00 10.00 H new ATOM 0 HE3 MET A 429 6.305 -9.304 -2.546 1.00 10.00 H new ATOM 278 N ASN A 430 2.054 -7.588 -6.613 1.00 10.00 N ATOM 279 CA ASN A 430 1.780 -7.961 -7.993 1.00 10.00 C ATOM 280 C ASN A 430 0.280 -8.125 -8.233 1.00 10.00 C ATOM 281 O ASN A 430 -0.133 -8.823 -9.159 1.00 10.00 O ATOM 282 CB ASN A 430 2.503 -9.266 -8.326 1.00 10.00 C ATOM 283 CG ASN A 430 3.945 -9.041 -8.739 1.00 10.00 C ATOM 284 OD1 ASN A 430 4.868 -9.581 -8.128 1.00 10.00 O ATOM 285 ND2 ASN A 430 4.144 -8.240 -9.778 1.00 10.00 N ATOM 0 H ASN A 430 1.643 -8.214 -5.920 1.00 10.00 H new ATOM 0 HA ASN A 430 2.143 -7.164 -8.642 1.00 10.00 H new ATOM 0 HB2 ASN A 430 2.475 -9.925 -7.458 1.00 10.00 H new ATOM 0 HB3 ASN A 430 1.973 -9.776 -9.130 1.00 10.00 H new ATOM 0 HD21 ASN A 430 5.093 -8.050 -10.101 1.00 10.00 H new ATOM 0 HD22 ASN A 430 3.348 -7.815 -10.254 1.00 10.00 H new ATOM 292 N MET A 431 -0.531 -7.479 -7.399 1.00 10.00 N ATOM 293 CA MET A 431 -1.985 -7.555 -7.528 1.00 10.00 C ATOM 294 C MET A 431 -2.683 -6.907 -6.339 1.00 10.00 C ATOM 295 O MET A 431 -3.051 -7.584 -5.380 1.00 10.00 O ATOM 296 CB MET A 431 -2.448 -9.007 -7.641 1.00 10.00 C ATOM 297 CG MET A 431 -2.795 -9.428 -9.061 1.00 10.00 C ATOM 298 SD MET A 431 -4.330 -10.371 -9.152 1.00 10.00 S ATOM 299 CE MET A 431 -3.703 -12.047 -9.077 1.00 10.00 C ATOM 0 H MET A 431 -0.207 -6.897 -6.627 1.00 10.00 H new ATOM 0 HA MET A 431 -2.252 -7.015 -8.436 1.00 10.00 H new ATOM 0 HB2 MET A 431 -1.664 -9.660 -7.259 1.00 10.00 H new ATOM 0 HB3 MET A 431 -3.321 -9.152 -7.005 1.00 10.00 H new ATOM 0 HG2 MET A 431 -2.881 -8.541 -9.688 1.00 10.00 H new ATOM 0 HG3 MET A 431 -1.980 -10.028 -9.467 1.00 10.00 H new ATOM 0 HE1 MET A 431 -4.535 -12.749 -9.123 1.00 10.00 H new ATOM 0 HE2 MET A 431 -3.033 -12.223 -9.919 1.00 10.00 H new ATOM 0 HE3 MET A 431 -3.158 -12.190 -8.144 1.00 10.00 H new ATOM 309 N TRP A 432 -2.899 -5.603 -6.422 1.00 10.00 N ATOM 310 CA TRP A 432 -3.591 -4.888 -5.362 1.00 10.00 C ATOM 311 C TRP A 432 -5.084 -4.922 -5.641 1.00 10.00 C ATOM 312 O TRP A 432 -5.598 -4.166 -6.466 1.00 10.00 O ATOM 313 CB TRP A 432 -3.105 -3.439 -5.236 1.00 10.00 C ATOM 314 CG TRP A 432 -1.670 -3.195 -5.621 1.00 10.00 C ATOM 315 CD1 TRP A 432 -1.083 -3.451 -6.825 1.00 10.00 C ATOM 316 CD2 TRP A 432 -0.641 -2.616 -4.799 1.00 10.00 C ATOM 317 NE1 TRP A 432 0.220 -3.036 -6.813 1.00 10.00 N ATOM 318 CE2 TRP A 432 0.520 -2.529 -5.585 1.00 10.00 C ATOM 319 CE3 TRP A 432 -0.591 -2.151 -3.486 1.00 10.00 C ATOM 320 CZ2 TRP A 432 1.711 -1.996 -5.105 1.00 10.00 C ATOM 321 CZ3 TRP A 432 0.594 -1.630 -3.003 1.00 10.00 C ATOM 322 CH2 TRP A 432 1.730 -1.550 -3.813 1.00 10.00 C ATOM 0 H TRP A 432 -2.607 -5.022 -7.208 1.00 10.00 H new ATOM 0 HA TRP A 432 -3.374 -5.380 -4.414 1.00 10.00 H new ATOM 0 HB2 TRP A 432 -3.741 -2.807 -5.856 1.00 10.00 H new ATOM 0 HB3 TRP A 432 -3.245 -3.117 -4.204 1.00 10.00 H new ATOM 0 HD1 TRP A 432 -1.576 -3.915 -7.667 1.00 10.00 H new ATOM 0 HE1 TRP A 432 0.866 -3.097 -7.600 1.00 10.00 H new ATOM 0 HE3 TRP A 432 -1.466 -2.197 -2.855 1.00 10.00 H new ATOM 0 HZ2 TRP A 432 2.589 -1.936 -5.730 1.00 10.00 H new ATOM 0 HZ3 TRP A 432 0.643 -1.279 -1.983 1.00 10.00 H new ATOM 0 HH2 TRP A 432 2.639 -1.128 -3.411 1.00 10.00 H new ATOM 333 N SER A 433 -5.764 -5.831 -4.961 1.00 10.00 N ATOM 334 CA SER A 433 -7.202 -6.014 -5.135 1.00 10.00 C ATOM 335 C SER A 433 -7.978 -4.763 -4.749 1.00 10.00 C ATOM 336 O SER A 433 -7.539 -3.983 -3.908 1.00 10.00 O ATOM 337 CB SER A 433 -7.687 -7.202 -4.303 1.00 10.00 C ATOM 338 OG SER A 433 -8.729 -7.898 -4.965 1.00 10.00 O ATOM 0 H SER A 433 -5.342 -6.460 -4.278 1.00 10.00 H new ATOM 0 HA SER A 433 -7.384 -6.211 -6.192 1.00 10.00 H new ATOM 0 HB2 SER A 433 -6.855 -7.881 -4.114 1.00 10.00 H new ATOM 0 HB3 SER A 433 -8.039 -6.851 -3.333 1.00 10.00 H new ATOM 0 HG SER A 433 -9.020 -8.654 -4.413 1.00 10.00 H new ATOM 344 N GLU A 434 -9.146 -4.584 -5.364 1.00 10.00 N ATOM 345 CA GLU A 434 -9.993 -3.432 -5.074 1.00 10.00 C ATOM 346 C GLU A 434 -10.184 -3.283 -3.568 1.00 10.00 C ATOM 347 O GLU A 434 -10.320 -2.174 -3.053 1.00 10.00 O ATOM 348 CB GLU A 434 -11.351 -3.581 -5.762 1.00 10.00 C ATOM 349 CG GLU A 434 -11.251 -3.939 -7.236 1.00 10.00 C ATOM 350 CD GLU A 434 -12.447 -3.461 -8.035 1.00 10.00 C ATOM 351 OE1 GLU A 434 -13.533 -4.061 -7.893 1.00 10.00 O ATOM 352 OE2 GLU A 434 -12.298 -2.487 -8.801 1.00 10.00 O ATOM 0 H GLU A 434 -9.525 -5.221 -6.064 1.00 10.00 H new ATOM 0 HA GLU A 434 -9.503 -2.537 -5.458 1.00 10.00 H new ATOM 0 HB2 GLU A 434 -11.927 -4.351 -5.248 1.00 10.00 H new ATOM 0 HB3 GLU A 434 -11.905 -2.648 -5.660 1.00 10.00 H new ATOM 0 HG2 GLU A 434 -10.343 -3.502 -7.651 1.00 10.00 H new ATOM 0 HG3 GLU A 434 -11.159 -5.020 -7.338 1.00 10.00 H new ATOM 359 N GLN A 435 -10.174 -4.415 -2.871 1.00 10.00 N ATOM 360 CA GLN A 435 -10.328 -4.423 -1.424 1.00 10.00 C ATOM 361 C GLN A 435 -8.986 -4.174 -0.751 1.00 10.00 C ATOM 362 O GLN A 435 -8.920 -3.587 0.330 1.00 10.00 O ATOM 363 CB GLN A 435 -10.910 -5.758 -0.957 1.00 10.00 C ATOM 364 CG GLN A 435 -11.723 -5.651 0.323 1.00 10.00 C ATOM 365 CD GLN A 435 -13.204 -5.457 0.061 1.00 10.00 C ATOM 366 OE1 GLN A 435 -13.530 -4.654 -0.945 1.00 10.00 O flip ATOM 367 NE2 GLN A 435 -14.047 -6.026 0.756 1.00 10.00 N flip ATOM 0 H GLN A 435 -10.061 -5.339 -3.288 1.00 10.00 H new ATOM 0 HA GLN A 435 -11.016 -3.625 -1.144 1.00 10.00 H new ATOM 0 HB2 GLN A 435 -11.542 -6.166 -1.746 1.00 10.00 H new ATOM 0 HB3 GLN A 435 -10.096 -6.466 -0.803 1.00 10.00 H new ATOM 0 HG2 GLN A 435 -11.578 -6.553 0.917 1.00 10.00 H new ATOM 0 HG3 GLN A 435 -11.351 -4.816 0.916 1.00 10.00 H new ATOM 0 HE21 GLN A 435 -13.752 -6.635 1.519 1.00 10.00 H new ATOM 0 HE22 GLN A 435 -15.040 -5.888 0.568 1.00 10.00 H new ATOM 376 N GLU A 436 -7.912 -4.610 -1.404 1.00 10.00 N ATOM 377 CA GLU A 436 -6.576 -4.422 -0.882 1.00 10.00 C ATOM 378 C GLU A 436 -6.171 -2.968 -1.044 1.00 10.00 C ATOM 379 O GLU A 436 -5.738 -2.324 -0.088 1.00 10.00 O ATOM 380 CB GLU A 436 -5.619 -5.373 -1.602 1.00 10.00 C ATOM 381 CG GLU A 436 -4.919 -6.354 -0.673 1.00 10.00 C ATOM 382 CD GLU A 436 -5.874 -7.034 0.291 1.00 10.00 C ATOM 383 OE1 GLU A 436 -6.413 -8.102 -0.064 1.00 10.00 O ATOM 384 OE2 GLU A 436 -6.081 -6.497 1.399 1.00 10.00 O ATOM 0 H GLU A 436 -7.949 -5.097 -2.299 1.00 10.00 H new ATOM 0 HA GLU A 436 -6.541 -4.656 0.182 1.00 10.00 H new ATOM 0 HB2 GLU A 436 -6.174 -5.932 -2.355 1.00 10.00 H new ATOM 0 HB3 GLU A 436 -4.867 -4.787 -2.130 1.00 10.00 H new ATOM 0 HG2 GLU A 436 -4.410 -7.112 -1.269 1.00 10.00 H new ATOM 0 HG3 GLU A 436 -4.152 -5.826 -0.106 1.00 10.00 H new ATOM 391 N LYS A 437 -6.369 -2.433 -2.244 1.00 10.00 N ATOM 392 CA LYS A 437 -6.082 -1.027 -2.509 1.00 10.00 C ATOM 393 C LYS A 437 -6.858 -0.166 -1.526 1.00 10.00 C ATOM 394 O LYS A 437 -6.535 0.993 -1.305 1.00 10.00 O ATOM 395 CB LYS A 437 -6.468 -0.670 -3.945 1.00 10.00 C ATOM 396 CG LYS A 437 -5.444 0.208 -4.646 1.00 10.00 C ATOM 397 CD LYS A 437 -6.066 0.977 -5.800 1.00 10.00 C ATOM 398 CE LYS A 437 -7.183 1.895 -5.326 1.00 10.00 C ATOM 399 NZ LYS A 437 -8.514 1.458 -5.830 1.00 10.00 N ATOM 0 H LYS A 437 -6.726 -2.950 -3.047 1.00 10.00 H new ATOM 0 HA LYS A 437 -5.014 -0.845 -2.386 1.00 10.00 H new ATOM 0 HB2 LYS A 437 -6.600 -1.589 -4.517 1.00 10.00 H new ATOM 0 HB3 LYS A 437 -7.430 -0.158 -3.938 1.00 10.00 H new ATOM 0 HG2 LYS A 437 -5.014 0.909 -3.931 1.00 10.00 H new ATOM 0 HG3 LYS A 437 -4.627 -0.410 -5.018 1.00 10.00 H new ATOM 0 HD2 LYS A 437 -5.298 1.567 -6.301 1.00 10.00 H new ATOM 0 HD3 LYS A 437 -6.459 0.275 -6.535 1.00 10.00 H new ATOM 0 HE2 LYS A 437 -7.197 1.917 -4.236 1.00 10.00 H new ATOM 0 HE3 LYS A 437 -6.984 2.912 -5.663 1.00 10.00 H new ATOM 0 HZ1 LYS A 437 -9.260 2.025 -5.378 1.00 10.00 H new ATOM 0 HZ2 LYS A 437 -8.555 1.590 -6.861 1.00 10.00 H new ATOM 0 HZ3 LYS A 437 -8.658 0.453 -5.604 1.00 10.00 H new ATOM 413 N GLU A 438 -7.879 -0.759 -0.924 1.00 10.00 N ATOM 414 CA GLU A 438 -8.699 -0.061 0.048 1.00 10.00 C ATOM 415 C GLU A 438 -7.876 0.344 1.261 1.00 10.00 C ATOM 416 O GLU A 438 -8.226 1.286 1.966 1.00 10.00 O ATOM 417 CB GLU A 438 -9.864 -0.944 0.486 1.00 10.00 C ATOM 418 CG GLU A 438 -11.070 -0.164 0.983 1.00 10.00 C ATOM 419 CD GLU A 438 -12.123 -1.054 1.612 1.00 10.00 C ATOM 420 OE1 GLU A 438 -11.750 -1.940 2.410 1.00 10.00 O ATOM 421 OE2 GLU A 438 -13.319 -0.867 1.306 1.00 10.00 O ATOM 0 H GLU A 438 -8.158 -1.725 -1.094 1.00 10.00 H new ATOM 0 HA GLU A 438 -9.089 0.841 -0.423 1.00 10.00 H new ATOM 0 HB2 GLU A 438 -10.168 -1.571 -0.352 1.00 10.00 H new ATOM 0 HB3 GLU A 438 -9.524 -1.613 1.277 1.00 10.00 H new ATOM 0 HG2 GLU A 438 -10.743 0.577 1.713 1.00 10.00 H new ATOM 0 HG3 GLU A 438 -11.512 0.383 0.150 1.00 10.00 H new ATOM 428 N THR A 439 -6.789 -0.376 1.514 1.00 10.00 N ATOM 429 CA THR A 439 -5.942 -0.071 2.659 1.00 10.00 C ATOM 430 C THR A 439 -4.815 0.890 2.287 1.00 10.00 C ATOM 431 O THR A 439 -4.590 1.887 2.973 1.00 10.00 O ATOM 432 CB THR A 439 -5.373 -1.362 3.254 1.00 10.00 C ATOM 433 OG1 THR A 439 -6.420 -2.217 3.678 1.00 10.00 O ATOM 434 CG2 THR A 439 -4.465 -1.129 4.443 1.00 10.00 C ATOM 0 H THR A 439 -6.477 -1.166 0.949 1.00 10.00 H new ATOM 0 HA THR A 439 -6.559 0.424 3.409 1.00 10.00 H new ATOM 0 HB THR A 439 -4.786 -1.814 2.454 1.00 10.00 H new ATOM 0 HG1 THR A 439 -6.071 -2.867 4.323 1.00 10.00 H new ATOM 0 HG21 THR A 439 -4.098 -2.086 4.814 1.00 10.00 H new ATOM 0 HG22 THR A 439 -3.621 -0.509 4.140 1.00 10.00 H new ATOM 0 HG23 THR A 439 -5.021 -0.623 5.232 1.00 10.00 H new ATOM 442 N PHE A 440 -4.109 0.592 1.205 1.00 10.00 N ATOM 443 CA PHE A 440 -3.011 1.436 0.756 1.00 10.00 C ATOM 444 C PHE A 440 -3.542 2.691 0.076 1.00 10.00 C ATOM 445 O PHE A 440 -2.927 3.755 0.154 1.00 10.00 O ATOM 446 CB PHE A 440 -2.100 0.670 -0.209 1.00 10.00 C ATOM 447 CG PHE A 440 -2.523 -0.735 -0.456 1.00 10.00 C ATOM 448 CD1 PHE A 440 -2.382 -1.714 0.509 1.00 10.00 C ATOM 449 CD2 PHE A 440 -3.073 -1.068 -1.666 1.00 10.00 C ATOM 450 CE1 PHE A 440 -2.790 -3.003 0.253 1.00 10.00 C ATOM 451 CE2 PHE A 440 -3.482 -2.347 -1.926 1.00 10.00 C ATOM 452 CZ PHE A 440 -3.340 -3.310 -0.970 1.00 10.00 C ATOM 0 H PHE A 440 -4.277 -0.228 0.622 1.00 10.00 H new ATOM 0 HA PHE A 440 -2.431 1.727 1.632 1.00 10.00 H new ATOM 0 HB2 PHE A 440 -2.068 1.201 -1.160 1.00 10.00 H new ATOM 0 HB3 PHE A 440 -1.086 0.668 0.190 1.00 10.00 H new ATOM 0 HD1 PHE A 440 -1.950 -1.467 1.467 1.00 10.00 H new ATOM 0 HD2 PHE A 440 -3.185 -0.309 -2.426 1.00 10.00 H new ATOM 0 HE1 PHE A 440 -2.679 -3.768 1.007 1.00 10.00 H new ATOM 0 HE2 PHE A 440 -3.916 -2.594 -2.884 1.00 10.00 H new ATOM 0 HZ PHE A 440 -3.662 -4.320 -1.175 1.00 10.00 H new ATOM 462 N ARG A 441 -4.687 2.567 -0.590 1.00 10.00 N ATOM 463 CA ARG A 441 -5.283 3.704 -1.275 1.00 10.00 C ATOM 464 C ARG A 441 -6.045 4.586 -0.290 1.00 10.00 C ATOM 465 O ARG A 441 -6.252 5.774 -0.545 1.00 10.00 O ATOM 466 CB ARG A 441 -6.219 3.249 -2.395 1.00 10.00 C ATOM 467 CG ARG A 441 -6.436 4.303 -3.470 1.00 10.00 C ATOM 468 CD ARG A 441 -7.914 4.504 -3.767 1.00 10.00 C ATOM 469 NE ARG A 441 -8.590 5.246 -2.706 1.00 10.00 N ATOM 470 CZ ARG A 441 -9.911 5.266 -2.541 1.00 10.00 C ATOM 471 NH1 ARG A 441 -10.700 4.588 -3.365 1.00 10.00 N ATOM 472 NH2 ARG A 441 -10.444 5.966 -1.549 1.00 10.00 N ATOM 0 H ARG A 441 -5.215 1.698 -0.668 1.00 10.00 H new ATOM 0 HA ARG A 441 -4.472 4.283 -1.718 1.00 10.00 H new ATOM 0 HB2 ARG A 441 -5.811 2.350 -2.856 1.00 10.00 H new ATOM 0 HB3 ARG A 441 -7.183 2.977 -1.964 1.00 10.00 H new ATOM 0 HG2 ARG A 441 -5.997 5.247 -3.148 1.00 10.00 H new ATOM 0 HG3 ARG A 441 -5.918 4.005 -4.382 1.00 10.00 H new ATOM 0 HD2 ARG A 441 -8.025 5.039 -4.710 1.00 10.00 H new ATOM 0 HD3 ARG A 441 -8.394 3.533 -3.893 1.00 10.00 H new ATOM 0 HE ARG A 441 -8.016 5.780 -2.053 1.00 10.00 H new ATOM 0 HH11 ARG A 441 -10.295 4.048 -4.130 1.00 10.00 H new ATOM 0 HH12 ARG A 441 -11.711 4.607 -3.234 1.00 10.00 H new ATOM 0 HH21 ARG A 441 -9.842 6.489 -0.913 1.00 10.00 H new ATOM 0 HH22 ARG A 441 -11.456 5.982 -1.422 1.00 10.00 H new ATOM 486 N GLU A 442 -6.463 4.007 0.838 1.00 10.00 N ATOM 487 CA GLU A 442 -7.199 4.762 1.846 1.00 10.00 C ATOM 488 C GLU A 442 -6.245 5.501 2.771 1.00 10.00 C ATOM 489 O GLU A 442 -6.525 6.622 3.195 1.00 10.00 O ATOM 490 CB GLU A 442 -8.109 3.842 2.660 1.00 10.00 C ATOM 491 CG GLU A 442 -8.875 4.557 3.761 1.00 10.00 C ATOM 492 CD GLU A 442 -9.565 3.597 4.710 1.00 10.00 C ATOM 493 OE1 GLU A 442 -8.918 2.620 5.140 1.00 10.00 O ATOM 494 OE2 GLU A 442 -10.753 3.823 5.023 1.00 10.00 O ATOM 0 H GLU A 442 -6.305 3.027 1.072 1.00 10.00 H new ATOM 0 HA GLU A 442 -7.819 5.493 1.327 1.00 10.00 H new ATOM 0 HB2 GLU A 442 -8.820 3.362 1.988 1.00 10.00 H new ATOM 0 HB3 GLU A 442 -7.506 3.050 3.105 1.00 10.00 H new ATOM 0 HG2 GLU A 442 -8.188 5.189 4.325 1.00 10.00 H new ATOM 0 HG3 GLU A 442 -9.619 5.216 3.312 1.00 10.00 H new ATOM 501 N LYS A 443 -5.111 4.878 3.075 1.00 10.00 N ATOM 502 CA LYS A 443 -4.127 5.498 3.940 1.00 10.00 C ATOM 503 C LYS A 443 -3.397 6.594 3.183 1.00 10.00 C ATOM 504 O LYS A 443 -3.175 7.681 3.708 1.00 10.00 O ATOM 505 CB LYS A 443 -3.132 4.460 4.461 1.00 10.00 C ATOM 506 CG LYS A 443 -3.551 3.818 5.775 1.00 10.00 C ATOM 507 CD LYS A 443 -4.962 3.253 5.700 1.00 10.00 C ATOM 508 CE LYS A 443 -5.047 1.879 6.346 1.00 10.00 C ATOM 509 NZ LYS A 443 -6.397 1.270 6.182 1.00 10.00 N ATOM 0 H LYS A 443 -4.856 3.951 2.735 1.00 10.00 H new ATOM 0 HA LYS A 443 -4.640 5.935 4.796 1.00 10.00 H new ATOM 0 HB2 LYS A 443 -3.007 3.680 3.710 1.00 10.00 H new ATOM 0 HB3 LYS A 443 -2.160 4.935 4.593 1.00 10.00 H new ATOM 0 HG2 LYS A 443 -2.853 3.021 6.030 1.00 10.00 H new ATOM 0 HG3 LYS A 443 -3.497 4.557 6.575 1.00 10.00 H new ATOM 0 HD2 LYS A 443 -5.654 3.933 6.196 1.00 10.00 H new ATOM 0 HD3 LYS A 443 -5.273 3.186 4.658 1.00 10.00 H new ATOM 0 HE2 LYS A 443 -4.297 1.223 5.904 1.00 10.00 H new ATOM 0 HE3 LYS A 443 -4.813 1.962 7.407 1.00 10.00 H new ATOM 0 HZ1 LYS A 443 -6.349 0.255 6.402 1.00 10.00 H new ATOM 0 HZ2 LYS A 443 -7.067 1.733 6.829 1.00 10.00 H new ATOM 0 HZ3 LYS A 443 -6.718 1.397 5.201 1.00 10.00 H new ATOM 523 N PHE A 444 -3.052 6.316 1.930 1.00 10.00 N ATOM 524 CA PHE A 444 -2.375 7.297 1.102 1.00 10.00 C ATOM 525 C PHE A 444 -3.309 8.468 0.876 1.00 10.00 C ATOM 526 O PHE A 444 -2.878 9.616 0.767 1.00 10.00 O ATOM 527 CB PHE A 444 -1.928 6.665 -0.215 1.00 10.00 C ATOM 528 CG PHE A 444 -1.101 7.575 -1.075 1.00 10.00 C ATOM 529 CD1 PHE A 444 -1.676 8.661 -1.713 1.00 10.00 C ATOM 530 CD2 PHE A 444 0.253 7.339 -1.247 1.00 10.00 C ATOM 531 CE1 PHE A 444 -0.914 9.499 -2.507 1.00 10.00 C ATOM 532 CE2 PHE A 444 1.020 8.172 -2.039 1.00 10.00 C ATOM 533 CZ PHE A 444 0.435 9.253 -2.670 1.00 10.00 C ATOM 0 H PHE A 444 -3.231 5.423 1.471 1.00 10.00 H new ATOM 0 HA PHE A 444 -1.476 7.657 1.603 1.00 10.00 H new ATOM 0 HB2 PHE A 444 -1.353 5.764 0.002 1.00 10.00 H new ATOM 0 HB3 PHE A 444 -2.810 6.354 -0.775 1.00 10.00 H new ATOM 0 HD1 PHE A 444 -2.731 8.856 -1.589 1.00 10.00 H new ATOM 0 HD2 PHE A 444 0.714 6.495 -0.757 1.00 10.00 H new ATOM 0 HE1 PHE A 444 -1.373 10.344 -2.998 1.00 10.00 H new ATOM 0 HE2 PHE A 444 2.075 7.978 -2.165 1.00 10.00 H new ATOM 0 HZ PHE A 444 1.032 9.905 -3.290 1.00 10.00 H new ATOM 543 N MET A 445 -4.605 8.171 0.876 1.00 10.00 N ATOM 544 CA MET A 445 -5.609 9.202 0.746 1.00 10.00 C ATOM 545 C MET A 445 -5.740 9.897 2.096 1.00 10.00 C ATOM 546 O MET A 445 -6.022 11.093 2.182 1.00 10.00 O ATOM 547 CB MET A 445 -6.951 8.607 0.312 1.00 10.00 C ATOM 548 CG MET A 445 -7.119 8.518 -1.195 1.00 10.00 C ATOM 549 SD MET A 445 -8.037 9.912 -1.876 1.00 10.00 S ATOM 550 CE MET A 445 -7.607 9.787 -3.610 1.00 10.00 C ATOM 0 H MET A 445 -4.976 7.225 0.965 1.00 10.00 H new ATOM 0 HA MET A 445 -5.312 9.918 -0.021 1.00 10.00 H new ATOM 0 HB2 MET A 445 -7.052 7.610 0.740 1.00 10.00 H new ATOM 0 HB3 MET A 445 -7.758 9.213 0.724 1.00 10.00 H new ATOM 0 HG2 MET A 445 -6.136 8.472 -1.664 1.00 10.00 H new ATOM 0 HG3 MET A 445 -7.635 7.591 -1.445 1.00 10.00 H new ATOM 0 HE1 MET A 445 -8.100 10.585 -4.166 1.00 10.00 H new ATOM 0 HE2 MET A 445 -6.527 9.879 -3.725 1.00 10.00 H new ATOM 0 HE3 MET A 445 -7.932 8.821 -3.997 1.00 10.00 H new ATOM 560 N GLN A 446 -5.492 9.116 3.149 1.00 10.00 N ATOM 561 CA GLN A 446 -5.527 9.598 4.522 1.00 10.00 C ATOM 562 C GLN A 446 -4.341 10.513 4.775 1.00 10.00 C ATOM 563 O GLN A 446 -4.435 11.511 5.486 1.00 10.00 O ATOM 564 CB GLN A 446 -5.446 8.408 5.483 1.00 10.00 C ATOM 565 CG GLN A 446 -5.877 8.736 6.903 1.00 10.00 C ATOM 566 CD GLN A 446 -6.568 7.571 7.585 1.00 10.00 C ATOM 567 OE1 GLN A 446 -6.205 7.180 8.692 1.00 10.00 O ATOM 568 NE2 GLN A 446 -7.574 7.011 6.921 1.00 10.00 N ATOM 0 H GLN A 446 -5.260 8.126 3.068 1.00 10.00 H new ATOM 0 HA GLN A 446 -6.456 10.146 4.684 1.00 10.00 H new ATOM 0 HB2 GLN A 446 -6.071 7.601 5.101 1.00 10.00 H new ATOM 0 HB3 GLN A 446 -4.421 8.036 5.501 1.00 10.00 H new ATOM 0 HG2 GLN A 446 -5.003 9.028 7.486 1.00 10.00 H new ATOM 0 HG3 GLN A 446 -6.550 9.594 6.886 1.00 10.00 H new ATOM 0 HE21 GLN A 446 -7.841 7.368 6.004 1.00 10.00 H new ATOM 0 HE22 GLN A 446 -8.079 6.224 7.329 1.00 10.00 H new ATOM 577 N HIS A 447 -3.216 10.131 4.188 1.00 10.00 N ATOM 578 CA HIS A 447 -1.973 10.861 4.327 1.00 10.00 C ATOM 579 C HIS A 447 -1.620 11.571 3.019 1.00 10.00 C ATOM 580 O HIS A 447 -1.026 10.979 2.120 1.00 10.00 O ATOM 581 CB HIS A 447 -0.874 9.879 4.741 1.00 10.00 C ATOM 582 CG HIS A 447 -1.301 8.975 5.865 1.00 10.00 C ATOM 583 ND1 HIS A 447 -1.644 7.657 5.883 1.00 10.00 N flip ATOM 584 CD2 HIS A 447 -1.457 9.423 7.158 1.00 10.00 C flip ATOM 585 CE1 HIS A 447 -1.998 7.349 7.174 1.00 10.00 C flip ATOM 586 NE2 HIS A 447 -1.874 8.430 7.922 1.00 10.00 N flip ATOM 0 H HIS A 447 -3.144 9.301 3.600 1.00 10.00 H new ATOM 0 HA HIS A 447 -2.075 11.629 5.094 1.00 10.00 H new ATOM 0 HB2 HIS A 447 -0.590 9.273 3.880 1.00 10.00 H new ATOM 0 HB3 HIS A 447 0.012 10.437 5.045 1.00 10.00 H new ATOM 0 HD1 HIS A 447 -1.639 7.019 5.087 1.00 10.00 H new ATOM 0 HD2 HIS A 447 -1.267 10.431 7.495 1.00 10.00 H new ATOM 0 HE1 HIS A 447 -2.325 6.380 7.521 1.00 10.00 H new ATOM 595 N PRO A 448 -2.007 12.858 2.897 1.00 10.00 N ATOM 596 CA PRO A 448 -1.758 13.664 1.698 1.00 10.00 C ATOM 597 C PRO A 448 -0.402 13.399 1.051 1.00 10.00 C ATOM 598 O PRO A 448 0.609 13.978 1.446 1.00 10.00 O ATOM 599 CB PRO A 448 -1.825 15.088 2.240 1.00 10.00 C ATOM 600 CG PRO A 448 -2.829 15.020 3.339 1.00 10.00 C ATOM 601 CD PRO A 448 -2.737 13.630 3.923 1.00 10.00 C ATOM 0 HA PRO A 448 -2.472 13.442 0.905 1.00 10.00 H new ATOM 0 HB2 PRO A 448 -0.854 15.419 2.609 1.00 10.00 H new ATOM 0 HB3 PRO A 448 -2.129 15.793 1.467 1.00 10.00 H new ATOM 0 HG2 PRO A 448 -2.623 15.774 4.099 1.00 10.00 H new ATOM 0 HG3 PRO A 448 -3.832 15.215 2.960 1.00 10.00 H new ATOM 0 HD2 PRO A 448 -2.205 13.631 4.875 1.00 10.00 H new ATOM 0 HD3 PRO A 448 -3.725 13.210 4.111 1.00 10.00 H new ATOM 609 N LYS A 449 -0.400 12.530 0.040 1.00 10.00 N ATOM 610 CA LYS A 449 0.818 12.184 -0.693 1.00 10.00 C ATOM 611 C LYS A 449 2.010 12.001 0.243 1.00 10.00 C ATOM 612 O LYS A 449 2.677 12.968 0.612 1.00 10.00 O ATOM 613 CB LYS A 449 1.135 13.264 -1.728 1.00 10.00 C ATOM 614 CG LYS A 449 0.466 13.031 -3.073 1.00 10.00 C ATOM 615 CD LYS A 449 1.360 13.468 -4.223 1.00 10.00 C ATOM 616 CE LYS A 449 2.208 12.316 -4.739 1.00 10.00 C ATOM 617 NZ LYS A 449 3.568 12.767 -5.146 1.00 10.00 N ATOM 0 H LYS A 449 -1.236 12.049 -0.292 1.00 10.00 H new ATOM 0 HA LYS A 449 0.638 11.235 -1.197 1.00 10.00 H new ATOM 0 HB2 LYS A 449 0.821 14.232 -1.338 1.00 10.00 H new ATOM 0 HB3 LYS A 449 2.214 13.312 -1.872 1.00 10.00 H new ATOM 0 HG2 LYS A 449 0.223 11.974 -3.181 1.00 10.00 H new ATOM 0 HG3 LYS A 449 -0.475 13.580 -3.113 1.00 10.00 H new ATOM 0 HD2 LYS A 449 0.746 13.861 -5.034 1.00 10.00 H new ATOM 0 HD3 LYS A 449 2.009 14.279 -3.893 1.00 10.00 H new ATOM 0 HE2 LYS A 449 2.295 11.554 -3.965 1.00 10.00 H new ATOM 0 HE3 LYS A 449 1.710 11.851 -5.590 1.00 10.00 H new ATOM 0 HZ1 LYS A 449 4.115 11.953 -5.492 1.00 10.00 H new ATOM 0 HZ2 LYS A 449 3.487 13.476 -5.903 1.00 10.00 H new ATOM 0 HZ3 LYS A 449 4.053 13.188 -4.328 1.00 10.00 H new ATOM 631 N ASN A 450 2.279 10.756 0.620 1.00 10.00 N ATOM 632 CA ASN A 450 3.394 10.458 1.506 1.00 10.00 C ATOM 633 C ASN A 450 4.107 9.179 1.087 1.00 10.00 C ATOM 634 O ASN A 450 5.316 9.177 0.859 1.00 10.00 O ATOM 635 CB ASN A 450 2.914 10.339 2.957 1.00 10.00 C ATOM 636 CG ASN A 450 1.723 9.411 3.104 1.00 10.00 C ATOM 637 OD1 ASN A 450 0.850 9.363 2.238 1.00 10.00 O ATOM 638 ND2 ASN A 450 1.680 8.664 4.204 1.00 10.00 N ATOM 0 H ASN A 450 1.741 9.941 0.326 1.00 10.00 H new ATOM 0 HA ASN A 450 4.102 11.283 1.434 1.00 10.00 H new ATOM 0 HB2 ASN A 450 3.733 9.974 3.578 1.00 10.00 H new ATOM 0 HB3 ASN A 450 2.647 11.328 3.330 1.00 10.00 H new ATOM 0 HD21 ASN A 450 0.902 8.021 4.354 1.00 10.00 H new ATOM 0 HD22 ASN A 450 2.425 8.734 4.898 1.00 10.00 H new ATOM 645 N PHE A 451 3.354 8.089 1.006 1.00 10.00 N ATOM 646 CA PHE A 451 3.913 6.793 0.636 1.00 10.00 C ATOM 647 C PHE A 451 4.882 6.290 1.709 1.00 10.00 C ATOM 648 O PHE A 451 5.452 5.206 1.580 1.00 10.00 O ATOM 649 CB PHE A 451 4.625 6.881 -0.722 1.00 10.00 C ATOM 650 CG PHE A 451 3.875 6.264 -1.881 1.00 10.00 C ATOM 651 CD1 PHE A 451 2.724 5.511 -1.685 1.00 10.00 C ATOM 652 CD2 PHE A 451 4.334 6.441 -3.177 1.00 10.00 C ATOM 653 CE1 PHE A 451 2.051 4.954 -2.754 1.00 10.00 C ATOM 654 CE2 PHE A 451 3.665 5.883 -4.249 1.00 10.00 C ATOM 655 CZ PHE A 451 2.521 5.140 -4.038 1.00 10.00 C ATOM 0 H PHE A 451 2.351 8.076 1.192 1.00 10.00 H new ATOM 0 HA PHE A 451 3.091 6.082 0.555 1.00 10.00 H new ATOM 0 HB2 PHE A 451 4.813 7.930 -0.949 1.00 10.00 H new ATOM 0 HB3 PHE A 451 5.596 6.394 -0.638 1.00 10.00 H new ATOM 0 HD1 PHE A 451 2.351 5.359 -0.683 1.00 10.00 H new ATOM 0 HD2 PHE A 451 5.227 7.023 -3.351 1.00 10.00 H new ATOM 0 HE1 PHE A 451 1.157 4.373 -2.585 1.00 10.00 H new ATOM 0 HE2 PHE A 451 4.037 6.028 -5.252 1.00 10.00 H new ATOM 0 HZ PHE A 451 1.995 4.706 -4.875 1.00 10.00 H new ATOM 665 N GLY A 452 5.054 7.074 2.773 1.00 10.00 N ATOM 666 CA GLY A 452 5.935 6.682 3.851 1.00 10.00 C ATOM 667 C GLY A 452 5.194 5.899 4.912 1.00 10.00 C ATOM 668 O GLY A 452 5.674 4.864 5.376 1.00 10.00 O ATOM 0 H GLY A 452 4.595 7.976 2.903 1.00 10.00 H new ATOM 0 HA2 GLY A 452 6.751 6.078 3.455 1.00 10.00 H new ATOM 0 HA3 GLY A 452 6.383 7.570 4.298 1.00 10.00 H new ATOM 672 N LEU A 453 4.011 6.383 5.284 1.00 10.00 N ATOM 673 CA LEU A 453 3.199 5.703 6.282 1.00 10.00 C ATOM 674 C LEU A 453 2.687 4.389 5.724 1.00 10.00 C ATOM 675 O LEU A 453 2.878 3.332 6.323 1.00 10.00 O ATOM 676 CB LEU A 453 2.018 6.565 6.725 1.00 10.00 C ATOM 677 CG LEU A 453 1.010 5.835 7.614 1.00 10.00 C ATOM 678 CD1 LEU A 453 0.413 6.781 8.641 1.00 10.00 C ATOM 679 CD2 LEU A 453 -0.079 5.183 6.766 1.00 10.00 C ATOM 0 H LEU A 453 3.598 7.238 4.911 1.00 10.00 H new ATOM 0 HA LEU A 453 3.828 5.515 7.152 1.00 10.00 H new ATOM 0 HB2 LEU A 453 2.398 7.434 7.263 1.00 10.00 H new ATOM 0 HB3 LEU A 453 1.502 6.938 5.840 1.00 10.00 H new ATOM 0 HG LEU A 453 1.534 5.046 8.154 1.00 10.00 H new ATOM 0 HD11 LEU A 453 -0.301 6.240 9.262 1.00 10.00 H new ATOM 0 HD12 LEU A 453 1.207 7.185 9.269 1.00 10.00 H new ATOM 0 HD13 LEU A 453 -0.096 7.598 8.130 1.00 10.00 H new ATOM 0 HD21 LEU A 453 -0.787 4.668 7.416 1.00 10.00 H new ATOM 0 HD22 LEU A 453 -0.602 5.949 6.194 1.00 10.00 H new ATOM 0 HD23 LEU A 453 0.374 4.465 6.082 1.00 10.00 H new ATOM 691 N ILE A 454 2.049 4.458 4.562 1.00 10.00 N ATOM 692 CA ILE A 454 1.530 3.266 3.919 1.00 10.00 C ATOM 693 C ILE A 454 2.642 2.247 3.766 1.00 10.00 C ATOM 694 O ILE A 454 2.534 1.116 4.234 1.00 10.00 O ATOM 695 CB ILE A 454 0.902 3.602 2.556 1.00 10.00 C ATOM 696 CG1 ILE A 454 -0.447 4.257 2.789 1.00 10.00 C ATOM 697 CG2 ILE A 454 0.762 2.363 1.679 1.00 10.00 C ATOM 698 CD1 ILE A 454 -0.371 5.763 2.716 1.00 10.00 C ATOM 0 H ILE A 454 1.881 5.324 4.051 1.00 10.00 H new ATOM 0 HA ILE A 454 0.744 2.842 4.545 1.00 10.00 H new ATOM 0 HB ILE A 454 1.559 4.290 2.023 1.00 10.00 H new ATOM 0 HG12 ILE A 454 -1.158 3.895 2.046 1.00 10.00 H new ATOM 0 HG13 ILE A 454 -0.828 3.961 3.766 1.00 10.00 H new ATOM 0 HG21 ILE A 454 0.315 2.641 0.725 1.00 10.00 H new ATOM 0 HG22 ILE A 454 1.746 1.927 1.505 1.00 10.00 H new ATOM 0 HG23 ILE A 454 0.125 1.633 2.179 1.00 10.00 H new ATOM 0 HD11 ILE A 454 -1.361 6.186 2.889 1.00 10.00 H new ATOM 0 HD12 ILE A 454 0.319 6.130 3.476 1.00 10.00 H new ATOM 0 HD13 ILE A 454 -0.016 6.062 1.730 1.00 10.00 H new ATOM 710 N ALA A 455 3.733 2.685 3.157 1.00 10.00 N ATOM 711 CA ALA A 455 4.903 1.839 2.980 1.00 10.00 C ATOM 712 C ALA A 455 5.443 1.384 4.335 1.00 10.00 C ATOM 713 O ALA A 455 6.335 0.539 4.406 1.00 10.00 O ATOM 714 CB ALA A 455 5.978 2.583 2.202 1.00 10.00 C ATOM 0 H ALA A 455 3.833 3.626 2.775 1.00 10.00 H new ATOM 0 HA ALA A 455 4.611 0.956 2.412 1.00 10.00 H new ATOM 0 HB1 ALA A 455 6.848 1.939 2.077 1.00 10.00 H new ATOM 0 HB2 ALA A 455 5.590 2.864 1.223 1.00 10.00 H new ATOM 0 HB3 ALA A 455 6.267 3.481 2.748 1.00 10.00 H new ATOM 720 N SER A 456 4.895 1.952 5.412 1.00 10.00 N ATOM 721 CA SER A 456 5.320 1.607 6.762 1.00 10.00 C ATOM 722 C SER A 456 4.439 0.507 7.346 1.00 10.00 C ATOM 723 O SER A 456 4.930 -0.388 8.034 1.00 10.00 O ATOM 724 CB SER A 456 5.284 2.843 7.666 1.00 10.00 C ATOM 725 OG SER A 456 6.573 3.142 8.172 1.00 10.00 O ATOM 0 H SER A 456 4.155 2.653 5.371 1.00 10.00 H new ATOM 0 HA SER A 456 6.344 1.237 6.709 1.00 10.00 H new ATOM 0 HB2 SER A 456 4.903 3.697 7.105 1.00 10.00 H new ATOM 0 HB3 SER A 456 4.596 2.672 8.494 1.00 10.00 H new ATOM 0 HG SER A 456 6.524 3.936 8.745 1.00 10.00 H new ATOM 731 N PHE A 457 3.136 0.569 7.068 1.00 10.00 N ATOM 732 CA PHE A 457 2.215 -0.440 7.576 1.00 10.00 C ATOM 733 C PHE A 457 2.230 -1.671 6.671 1.00 10.00 C ATOM 734 O PHE A 457 2.132 -2.802 7.145 1.00 10.00 O ATOM 735 CB PHE A 457 0.798 0.140 7.732 1.00 10.00 C ATOM 736 CG PHE A 457 -0.034 0.121 6.481 1.00 10.00 C ATOM 737 CD1 PHE A 457 -0.537 -1.073 5.987 1.00 10.00 C ATOM 738 CD2 PHE A 457 -0.314 1.298 5.796 1.00 10.00 C ATOM 739 CE1 PHE A 457 -1.298 -1.097 4.841 1.00 10.00 C ATOM 740 CE2 PHE A 457 -1.079 1.275 4.648 1.00 10.00 C ATOM 741 CZ PHE A 457 -1.571 0.080 4.171 1.00 10.00 C ATOM 0 H PHE A 457 2.702 1.298 6.502 1.00 10.00 H new ATOM 0 HA PHE A 457 2.544 -0.751 8.567 1.00 10.00 H new ATOM 0 HB2 PHE A 457 0.275 -0.420 8.507 1.00 10.00 H new ATOM 0 HB3 PHE A 457 0.879 1.169 8.082 1.00 10.00 H new ATOM 0 HD1 PHE A 457 -0.329 -1.996 6.508 1.00 10.00 H new ATOM 0 HD2 PHE A 457 0.070 2.237 6.165 1.00 10.00 H new ATOM 0 HE1 PHE A 457 -1.681 -2.034 4.466 1.00 10.00 H new ATOM 0 HE2 PHE A 457 -1.292 2.194 4.123 1.00 10.00 H new ATOM 0 HZ PHE A 457 -2.170 0.063 3.273 1.00 10.00 H new ATOM 751 N LEU A 458 2.391 -1.443 5.367 1.00 10.00 N ATOM 752 CA LEU A 458 2.459 -2.536 4.400 1.00 10.00 C ATOM 753 C LEU A 458 3.878 -2.637 3.840 1.00 10.00 C ATOM 754 O LEU A 458 4.083 -2.712 2.632 1.00 10.00 O ATOM 755 CB LEU A 458 1.439 -2.341 3.269 1.00 10.00 C ATOM 756 CG LEU A 458 1.336 -0.923 2.697 1.00 10.00 C ATOM 757 CD1 LEU A 458 2.680 -0.470 2.152 1.00 10.00 C ATOM 758 CD2 LEU A 458 0.273 -0.861 1.606 1.00 10.00 C ATOM 0 H LEU A 458 2.476 -0.513 4.958 1.00 10.00 H new ATOM 0 HA LEU A 458 2.209 -3.468 4.908 1.00 10.00 H new ATOM 0 HB2 LEU A 458 1.692 -3.022 2.456 1.00 10.00 H new ATOM 0 HB3 LEU A 458 0.456 -2.635 3.637 1.00 10.00 H new ATOM 0 HG LEU A 458 1.044 -0.249 3.502 1.00 10.00 H new ATOM 0 HD11 LEU A 458 2.588 0.539 1.750 1.00 10.00 H new ATOM 0 HD12 LEU A 458 3.418 -0.475 2.954 1.00 10.00 H new ATOM 0 HD13 LEU A 458 2.999 -1.148 1.361 1.00 10.00 H new ATOM 0 HD21 LEU A 458 0.215 0.154 1.212 1.00 10.00 H new ATOM 0 HD22 LEU A 458 0.537 -1.548 0.802 1.00 10.00 H new ATOM 0 HD23 LEU A 458 -0.693 -1.144 2.023 1.00 10.00 H new ATOM 770 N GLU A 459 4.846 -2.617 4.758 1.00 10.00 N ATOM 771 CA GLU A 459 6.282 -2.680 4.444 1.00 10.00 C ATOM 772 C GLU A 459 6.585 -3.388 3.125 1.00 10.00 C ATOM 773 O GLU A 459 7.416 -2.925 2.344 1.00 10.00 O ATOM 774 CB GLU A 459 7.031 -3.380 5.579 1.00 10.00 C ATOM 775 CG GLU A 459 7.103 -2.558 6.857 1.00 10.00 C ATOM 776 CD GLU A 459 7.789 -3.300 7.988 1.00 10.00 C ATOM 777 OE1 GLU A 459 8.944 -3.733 7.800 1.00 10.00 O ATOM 778 OE2 GLU A 459 7.170 -3.446 9.063 1.00 10.00 O ATOM 0 H GLU A 459 4.655 -2.556 5.758 1.00 10.00 H new ATOM 0 HA GLU A 459 6.620 -1.649 4.336 1.00 10.00 H new ATOM 0 HB2 GLU A 459 6.542 -4.330 5.795 1.00 10.00 H new ATOM 0 HB3 GLU A 459 8.043 -3.611 5.247 1.00 10.00 H new ATOM 0 HG2 GLU A 459 7.639 -1.630 6.658 1.00 10.00 H new ATOM 0 HG3 GLU A 459 6.094 -2.284 7.166 1.00 10.00 H new ATOM 785 N ARG A 460 5.916 -4.509 2.878 1.00 10.00 N ATOM 786 CA ARG A 460 6.128 -5.271 1.650 1.00 10.00 C ATOM 787 C ARG A 460 6.116 -4.359 0.425 1.00 10.00 C ATOM 788 O ARG A 460 6.709 -4.678 -0.606 1.00 10.00 O ATOM 789 CB ARG A 460 5.058 -6.356 1.508 1.00 10.00 C ATOM 790 CG ARG A 460 5.502 -7.722 2.011 1.00 10.00 C ATOM 791 CD ARG A 460 6.053 -7.646 3.426 1.00 10.00 C ATOM 792 NE ARG A 460 6.491 -8.950 3.915 1.00 10.00 N ATOM 793 CZ ARG A 460 5.668 -9.866 4.425 1.00 10.00 C ATOM 794 NH1 ARG A 460 4.366 -9.626 4.511 1.00 10.00 N ATOM 795 NH2 ARG A 460 6.151 -11.027 4.848 1.00 10.00 N ATOM 0 H ARG A 460 5.223 -4.911 3.510 1.00 10.00 H new ATOM 0 HA ARG A 460 7.109 -5.743 1.712 1.00 10.00 H new ATOM 0 HB2 ARG A 460 4.167 -6.049 2.055 1.00 10.00 H new ATOM 0 HB3 ARG A 460 4.775 -6.439 0.459 1.00 10.00 H new ATOM 0 HG2 ARG A 460 4.658 -8.412 1.985 1.00 10.00 H new ATOM 0 HG3 ARG A 460 6.264 -8.126 1.344 1.00 10.00 H new ATOM 0 HD2 ARG A 460 6.891 -6.949 3.451 1.00 10.00 H new ATOM 0 HD3 ARG A 460 5.287 -7.248 4.092 1.00 10.00 H new ATOM 0 HE ARG A 460 7.485 -9.173 3.863 1.00 10.00 H new ATOM 0 HH11 ARG A 460 3.989 -8.736 4.186 1.00 10.00 H new ATOM 0 HH12 ARG A 460 3.742 -10.332 4.902 1.00 10.00 H new ATOM 0 HH21 ARG A 460 7.151 -11.218 4.783 1.00 10.00 H new ATOM 0 HH22 ARG A 460 5.522 -11.729 5.239 1.00 10.00 H new ATOM 809 N LYS A 461 5.437 -3.224 0.548 1.00 10.00 N ATOM 810 CA LYS A 461 5.343 -2.261 -0.542 1.00 10.00 C ATOM 811 C LYS A 461 6.145 -1.004 -0.224 1.00 10.00 C ATOM 812 O LYS A 461 5.807 -0.256 0.694 1.00 10.00 O ATOM 813 CB LYS A 461 3.882 -1.878 -0.812 1.00 10.00 C ATOM 814 CG LYS A 461 2.861 -2.884 -0.296 1.00 10.00 C ATOM 815 CD LYS A 461 2.433 -3.840 -1.396 1.00 10.00 C ATOM 816 CE LYS A 461 3.194 -5.153 -1.325 1.00 10.00 C ATOM 817 NZ LYS A 461 2.587 -6.096 -0.347 1.00 10.00 N ATOM 0 H LYS A 461 4.942 -2.948 1.396 1.00 10.00 H new ATOM 0 HA LYS A 461 5.756 -2.733 -1.433 1.00 10.00 H new ATOM 0 HB2 LYS A 461 3.683 -0.909 -0.354 1.00 10.00 H new ATOM 0 HB3 LYS A 461 3.744 -1.757 -1.886 1.00 10.00 H new ATOM 0 HG2 LYS A 461 3.288 -3.447 0.534 1.00 10.00 H new ATOM 0 HG3 LYS A 461 1.989 -2.356 0.091 1.00 10.00 H new ATOM 0 HD2 LYS A 461 1.364 -4.034 -1.314 1.00 10.00 H new ATOM 0 HD3 LYS A 461 2.599 -3.375 -2.368 1.00 10.00 H new ATOM 0 HE2 LYS A 461 3.212 -5.616 -2.312 1.00 10.00 H new ATOM 0 HE3 LYS A 461 4.229 -4.958 -1.046 1.00 10.00 H new ATOM 0 HZ1 LYS A 461 3.272 -6.842 -0.113 1.00 10.00 H new ATOM 0 HZ2 LYS A 461 2.328 -5.580 0.518 1.00 10.00 H new ATOM 0 HZ3 LYS A 461 1.735 -6.526 -0.762 1.00 10.00 H new ATOM 831 N THR A 462 7.199 -0.772 -0.994 1.00 10.00 N ATOM 832 CA THR A 462 8.041 0.402 -0.798 1.00 10.00 C ATOM 833 C THR A 462 7.379 1.636 -1.403 1.00 10.00 C ATOM 834 O THR A 462 6.384 1.526 -2.116 1.00 10.00 O ATOM 835 CB THR A 462 9.421 0.185 -1.427 1.00 10.00 C ATOM 836 OG1 THR A 462 9.589 -1.167 -1.818 1.00 10.00 O ATOM 837 CG2 THR A 462 10.563 0.540 -0.499 1.00 10.00 C ATOM 0 H THR A 462 7.492 -1.379 -1.759 1.00 10.00 H new ATOM 0 HA THR A 462 8.167 0.559 0.273 1.00 10.00 H new ATOM 0 HB THR A 462 9.453 0.851 -2.289 1.00 10.00 H new ATOM 0 HG1 THR A 462 10.476 -1.284 -2.219 1.00 10.00 H new ATOM 0 HG21 THR A 462 11.512 0.363 -1.006 1.00 10.00 H new ATOM 0 HG22 THR A 462 10.491 1.591 -0.219 1.00 10.00 H new ATOM 0 HG23 THR A 462 10.509 -0.078 0.397 1.00 10.00 H new ATOM 845 N VAL A 463 7.932 2.809 -1.116 1.00 10.00 N ATOM 846 CA VAL A 463 7.381 4.054 -1.641 1.00 10.00 C ATOM 847 C VAL A 463 7.402 4.053 -3.168 1.00 10.00 C ATOM 848 O VAL A 463 6.363 4.207 -3.811 1.00 10.00 O ATOM 849 CB VAL A 463 8.154 5.282 -1.108 1.00 10.00 C ATOM 850 CG1 VAL A 463 7.727 6.556 -1.828 1.00 10.00 C ATOM 851 CG2 VAL A 463 7.954 5.423 0.395 1.00 10.00 C ATOM 0 H VAL A 463 8.756 2.925 -0.526 1.00 10.00 H new ATOM 0 HA VAL A 463 6.348 4.123 -1.299 1.00 10.00 H new ATOM 0 HB VAL A 463 9.215 5.126 -1.306 1.00 10.00 H new ATOM 0 HG11 VAL A 463 8.287 7.403 -1.432 1.00 10.00 H new ATOM 0 HG12 VAL A 463 7.927 6.455 -2.895 1.00 10.00 H new ATOM 0 HG13 VAL A 463 6.661 6.722 -1.673 1.00 10.00 H new ATOM 0 HG21 VAL A 463 8.504 6.292 0.755 1.00 10.00 H new ATOM 0 HG22 VAL A 463 6.893 5.550 0.611 1.00 10.00 H new ATOM 0 HG23 VAL A 463 8.321 4.528 0.896 1.00 10.00 H new ATOM 861 N ALA A 464 8.584 3.869 -3.741 1.00 10.00 N ATOM 862 CA ALA A 464 8.731 3.838 -5.191 1.00 10.00 C ATOM 863 C ALA A 464 8.119 2.569 -5.776 1.00 10.00 C ATOM 864 O ALA A 464 7.814 2.508 -6.967 1.00 10.00 O ATOM 865 CB ALA A 464 10.198 3.946 -5.576 1.00 10.00 C ATOM 0 H ALA A 464 9.454 3.739 -3.225 1.00 10.00 H new ATOM 0 HA ALA A 464 8.196 4.693 -5.605 1.00 10.00 H new ATOM 0 HB1 ALA A 464 10.292 3.921 -6.662 1.00 10.00 H new ATOM 0 HB2 ALA A 464 10.605 4.884 -5.198 1.00 10.00 H new ATOM 0 HB3 ALA A 464 10.750 3.111 -5.145 1.00 10.00 H new ATOM 871 N GLU A 465 7.941 1.556 -4.931 1.00 10.00 N ATOM 872 CA GLU A 465 7.365 0.290 -5.366 1.00 10.00 C ATOM 873 C GLU A 465 5.842 0.324 -5.286 1.00 10.00 C ATOM 874 O GLU A 465 5.159 -0.389 -6.021 1.00 10.00 O ATOM 875 CB GLU A 465 7.908 -0.859 -4.513 1.00 10.00 C ATOM 876 CG GLU A 465 7.365 -2.222 -4.911 1.00 10.00 C ATOM 877 CD GLU A 465 8.297 -3.354 -4.529 1.00 10.00 C ATOM 878 OE1 GLU A 465 9.484 -3.302 -4.914 1.00 10.00 O ATOM 879 OE2 GLU A 465 7.841 -4.294 -3.843 1.00 10.00 O ATOM 0 H GLU A 465 8.188 1.589 -3.942 1.00 10.00 H new ATOM 0 HA GLU A 465 7.649 0.129 -6.406 1.00 10.00 H new ATOM 0 HB2 GLU A 465 8.995 -0.874 -4.589 1.00 10.00 H new ATOM 0 HB3 GLU A 465 7.664 -0.671 -3.467 1.00 10.00 H new ATOM 0 HG2 GLU A 465 6.397 -2.377 -4.435 1.00 10.00 H new ATOM 0 HG3 GLU A 465 7.197 -2.242 -5.988 1.00 10.00 H new ATOM 886 N CYS A 466 5.310 1.162 -4.398 1.00 10.00 N ATOM 887 CA CYS A 466 3.867 1.284 -4.241 1.00 10.00 C ATOM 888 C CYS A 466 3.261 1.979 -5.452 1.00 10.00 C ATOM 889 O CYS A 466 2.081 1.803 -5.758 1.00 10.00 O ATOM 890 CB CYS A 466 3.525 2.052 -2.962 1.00 10.00 C ATOM 891 SG CYS A 466 1.829 1.805 -2.386 1.00 10.00 S ATOM 0 H CYS A 466 5.856 1.763 -3.780 1.00 10.00 H new ATOM 0 HA CYS A 466 3.444 0.282 -4.163 1.00 10.00 H new ATOM 0 HB2 CYS A 466 4.213 1.748 -2.173 1.00 10.00 H new ATOM 0 HB3 CYS A 466 3.688 3.116 -3.135 1.00 10.00 H new ATOM 0 HG CYS A 466 1.434 0.607 -2.702 1.00 10.00 H new ATOM 897 N VAL A 467 4.083 2.756 -6.151 1.00 10.00 N ATOM 898 CA VAL A 467 3.640 3.462 -7.344 1.00 10.00 C ATOM 899 C VAL A 467 3.017 2.484 -8.340 1.00 10.00 C ATOM 900 O VAL A 467 2.205 2.866 -9.179 1.00 10.00 O ATOM 901 CB VAL A 467 4.817 4.199 -8.022 1.00 10.00 C ATOM 902 CG1 VAL A 467 4.349 4.952 -9.258 1.00 10.00 C ATOM 903 CG2 VAL A 467 5.489 5.146 -7.040 1.00 10.00 C ATOM 0 H VAL A 467 5.062 2.912 -5.909 1.00 10.00 H new ATOM 0 HA VAL A 467 2.894 4.196 -7.038 1.00 10.00 H new ATOM 0 HB VAL A 467 5.547 3.454 -8.338 1.00 10.00 H new ATOM 0 HG11 VAL A 467 5.197 5.462 -9.716 1.00 10.00 H new ATOM 0 HG12 VAL A 467 3.920 4.249 -9.972 1.00 10.00 H new ATOM 0 HG13 VAL A 467 3.595 5.686 -8.973 1.00 10.00 H new ATOM 0 HG21 VAL A 467 6.316 5.656 -7.534 1.00 10.00 H new ATOM 0 HG22 VAL A 467 4.765 5.882 -6.691 1.00 10.00 H new ATOM 0 HG23 VAL A 467 5.869 4.579 -6.190 1.00 10.00 H new ATOM 913 N LEU A 468 3.408 1.216 -8.231 1.00 10.00 N ATOM 914 CA LEU A 468 2.902 0.171 -9.112 1.00 10.00 C ATOM 915 C LEU A 468 1.408 -0.089 -8.895 1.00 10.00 C ATOM 916 O LEU A 468 0.794 -0.852 -9.635 1.00 10.00 O ATOM 917 CB LEU A 468 3.698 -1.118 -8.893 1.00 10.00 C ATOM 918 CG LEU A 468 4.473 -1.616 -10.114 1.00 10.00 C ATOM 919 CD1 LEU A 468 5.846 -0.966 -10.178 1.00 10.00 C ATOM 920 CD2 LEU A 468 4.600 -3.132 -10.082 1.00 10.00 C ATOM 0 H LEU A 468 4.078 0.888 -7.536 1.00 10.00 H new ATOM 0 HA LEU A 468 3.027 0.512 -10.140 1.00 10.00 H new ATOM 0 HB2 LEU A 468 4.401 -0.958 -8.076 1.00 10.00 H new ATOM 0 HB3 LEU A 468 3.011 -1.901 -8.574 1.00 10.00 H new ATOM 0 HG LEU A 468 3.920 -1.336 -11.010 1.00 10.00 H new ATOM 0 HD11 LEU A 468 6.382 -1.333 -11.053 1.00 10.00 H new ATOM 0 HD12 LEU A 468 5.733 0.116 -10.249 1.00 10.00 H new ATOM 0 HD13 LEU A 468 6.408 -1.214 -9.278 1.00 10.00 H new ATOM 0 HD21 LEU A 468 5.154 -3.469 -10.958 1.00 10.00 H new ATOM 0 HD22 LEU A 468 5.130 -3.434 -9.179 1.00 10.00 H new ATOM 0 HD23 LEU A 468 3.607 -3.581 -10.086 1.00 10.00 H new ATOM 932 N TYR A 469 0.826 0.533 -7.880 1.00 10.00 N ATOM 933 CA TYR A 469 -0.596 0.348 -7.600 1.00 10.00 C ATOM 934 C TYR A 469 -1.415 1.587 -7.974 1.00 10.00 C ATOM 935 O TYR A 469 -2.631 1.607 -7.794 1.00 10.00 O ATOM 936 CB TYR A 469 -0.808 -0.030 -6.128 1.00 10.00 C ATOM 937 CG TYR A 469 -1.337 1.062 -5.229 1.00 10.00 C ATOM 938 CD1 TYR A 469 -0.838 2.351 -5.310 1.00 10.00 C ATOM 939 CD2 TYR A 469 -2.324 0.794 -4.286 1.00 10.00 C ATOM 940 CE1 TYR A 469 -1.305 3.351 -4.484 1.00 10.00 C ATOM 941 CE2 TYR A 469 -2.799 1.788 -3.457 1.00 10.00 C ATOM 942 CZ TYR A 469 -2.286 3.066 -3.559 1.00 10.00 C ATOM 943 OH TYR A 469 -2.749 4.061 -2.734 1.00 10.00 O ATOM 0 H TYR A 469 1.308 1.165 -7.241 1.00 10.00 H new ATOM 0 HA TYR A 469 -0.953 -0.472 -8.223 1.00 10.00 H new ATOM 0 HB2 TYR A 469 -1.498 -0.872 -6.087 1.00 10.00 H new ATOM 0 HB3 TYR A 469 0.143 -0.377 -5.723 1.00 10.00 H new ATOM 0 HD1 TYR A 469 -0.069 2.577 -6.034 1.00 10.00 H new ATOM 0 HD2 TYR A 469 -2.723 -0.206 -4.202 1.00 10.00 H new ATOM 0 HE1 TYR A 469 -0.905 4.351 -4.561 1.00 10.00 H new ATOM 0 HE2 TYR A 469 -3.568 1.568 -2.732 1.00 10.00 H new ATOM 0 HH TYR A 469 -2.681 4.924 -3.193 1.00 10.00 H new ATOM 953 N TYR A 470 -0.751 2.621 -8.487 1.00 10.00 N ATOM 954 CA TYR A 470 -1.445 3.845 -8.869 1.00 10.00 C ATOM 955 C TYR A 470 -1.600 3.939 -10.386 1.00 10.00 C ATOM 956 O TYR A 470 -2.671 4.281 -10.887 1.00 10.00 O ATOM 957 CB TYR A 470 -0.705 5.074 -8.316 1.00 10.00 C ATOM 958 CG TYR A 470 -0.017 5.917 -9.369 1.00 10.00 C ATOM 959 CD1 TYR A 470 -0.723 6.865 -10.098 1.00 10.00 C ATOM 960 CD2 TYR A 470 1.336 5.761 -9.632 1.00 10.00 C ATOM 961 CE1 TYR A 470 -0.098 7.633 -11.062 1.00 10.00 C ATOM 962 CE2 TYR A 470 1.969 6.525 -10.593 1.00 10.00 C ATOM 963 CZ TYR A 470 1.248 7.459 -11.306 1.00 10.00 C ATOM 964 OH TYR A 470 1.875 8.221 -12.264 1.00 10.00 O ATOM 0 H TYR A 470 0.256 2.635 -8.646 1.00 10.00 H new ATOM 0 HA TYR A 470 -2.445 3.820 -8.435 1.00 10.00 H new ATOM 0 HB2 TYR A 470 -1.417 5.699 -7.776 1.00 10.00 H new ATOM 0 HB3 TYR A 470 0.039 4.740 -7.593 1.00 10.00 H new ATOM 0 HD1 TYR A 470 -1.777 7.004 -9.909 1.00 10.00 H new ATOM 0 HD2 TYR A 470 1.904 5.030 -9.076 1.00 10.00 H new ATOM 0 HE1 TYR A 470 -0.661 8.366 -11.621 1.00 10.00 H new ATOM 0 HE2 TYR A 470 3.023 6.391 -10.785 1.00 10.00 H new ATOM 0 HH TYR A 470 2.822 7.974 -12.310 1.00 10.00 H new ATOM 974 N TYR A 471 -0.528 3.637 -11.116 1.00 10.00 N ATOM 975 CA TYR A 471 -0.567 3.698 -12.573 1.00 10.00 C ATOM 976 C TYR A 471 -0.976 2.354 -13.179 1.00 10.00 C ATOM 977 O TYR A 471 -1.101 2.228 -14.397 1.00 10.00 O ATOM 978 CB TYR A 471 0.782 4.174 -13.130 1.00 10.00 C ATOM 979 CG TYR A 471 1.842 3.101 -13.253 1.00 10.00 C ATOM 980 CD1 TYR A 471 2.659 2.784 -12.176 1.00 10.00 C ATOM 981 CD2 TYR A 471 2.035 2.417 -14.447 1.00 10.00 C ATOM 982 CE1 TYR A 471 3.636 1.814 -12.281 1.00 10.00 C ATOM 983 CE2 TYR A 471 3.012 1.445 -14.562 1.00 10.00 C ATOM 984 CZ TYR A 471 3.809 1.147 -13.477 1.00 10.00 C ATOM 985 OH TYR A 471 4.782 0.180 -13.587 1.00 10.00 O ATOM 0 H TYR A 471 0.370 3.350 -10.726 1.00 10.00 H new ATOM 0 HA TYR A 471 -1.327 4.425 -12.859 1.00 10.00 H new ATOM 0 HB2 TYR A 471 0.616 4.613 -14.114 1.00 10.00 H new ATOM 0 HB3 TYR A 471 1.163 4.967 -12.487 1.00 10.00 H new ATOM 0 HD1 TYR A 471 2.528 3.305 -11.239 1.00 10.00 H new ATOM 0 HD2 TYR A 471 1.412 2.648 -15.299 1.00 10.00 H new ATOM 0 HE1 TYR A 471 4.261 1.579 -11.432 1.00 10.00 H new ATOM 0 HE2 TYR A 471 3.150 0.922 -15.497 1.00 10.00 H new ATOM 0 HH TYR A 471 4.772 -0.193 -14.493 1.00 10.00 H new