USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 541 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 442 HIS : no HD1:sc= 0.755 K(o=2,f=-1.4) USER MOD Set 1.2: A 444 THR OG1 : rot 180:sc= 0 USER MOD Set 1.3: A 500 GLN : amide:sc= 1.23 K(o=2,f=-0.29) USER MOD Set 2.1: A 489 ASN : amide:sc= 0.627 K(o=1.3,f=-1.9) USER MOD Set 2.2: A 492 LYS NZ :NH3+ 167:sc= 0.703 (180deg=0) USER MOD Set 3.1: A 439 HIS : no HD1:sc= 0.0773 K(o=0.077,f=-1) USER MOD Set 3.2: A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ 172:sc= 1.26 (180deg=1.19) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0.937 (180deg=0.937) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0241 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.0074 X(o=-0.0074,f=-0.49) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.078) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot 180:sc= 0 USER MOD Single : A 473 SER OG : rot 180:sc= 0 USER MOD Single : A 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=-0.2) USER MOD Single : A 483 GLN : amide:sc= 0.588 K(o=0.59,f=-1.6) USER MOD Single : A 485 GLN : amide:sc= -0.585 X(o=-0.58,f=-0.99) USER MOD Single : A 490 THR OG1 : rot 180:sc= -0.2 USER MOD Single : A 491 SER OG : rot -68:sc= 0.0128 USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= 0 USER MOD Single : A 497 TYR OH : rot 180:sc= 0 USER MOD Single : A 501 THR OG1 : rot 180:sc= 0.417 USER MOD Single : A 502 TYR OH : rot 180:sc= 0 USER MOD Single : A 505 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 173 N ARG A 437 -1.117 -9.432 -7.910 1.00 0.00 N ATOM 174 CA ARG A 437 -0.883 -8.239 -7.058 1.00 0.00 C ATOM 175 C ARG A 437 -0.405 -6.992 -7.821 1.00 0.00 C ATOM 176 O ARG A 437 -0.145 -5.959 -7.208 1.00 0.00 O ATOM 177 CB ARG A 437 0.118 -8.608 -5.942 1.00 0.00 C ATOM 178 CG ARG A 437 -0.399 -9.643 -4.929 1.00 0.00 C ATOM 179 CD ARG A 437 -1.539 -9.089 -4.065 1.00 0.00 C ATOM 180 NE ARG A 437 -1.984 -10.074 -3.062 1.00 0.00 N ATOM 181 CZ ARG A 437 -2.919 -10.995 -3.209 1.00 0.00 C ATOM 182 NH1 ARG A 437 -3.567 -11.175 -4.328 1.00 0.00 N ATOM 183 NH2 ARG A 437 -3.227 -11.774 -2.211 1.00 0.00 N ATOM 0 HA ARG A 437 -1.850 -7.959 -6.639 1.00 0.00 H new ATOM 0 HB2 ARG A 437 1.028 -8.994 -6.402 1.00 0.00 H new ATOM 0 HB3 ARG A 437 0.393 -7.700 -5.405 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -0.746 -10.528 -5.462 1.00 0.00 H new ATOM 0 HG3 ARG A 437 0.421 -9.960 -4.285 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -1.208 -8.180 -3.562 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -2.379 -8.812 -4.702 1.00 0.00 H new ATOM 0 HE ARG A 437 -1.519 -10.040 -2.155 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -3.359 -10.590 -5.138 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -4.281 -11.900 -4.393 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -2.746 -11.672 -1.317 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -3.949 -12.486 -2.323 1.00 0.00 H new ATOM 197 N ASP A 438 -0.323 -7.053 -9.151 1.00 0.00 N ATOM 198 CA ASP A 438 0.122 -5.951 -10.026 1.00 0.00 C ATOM 199 C ASP A 438 -0.761 -4.685 -9.955 1.00 0.00 C ATOM 200 O ASP A 438 -0.348 -3.608 -10.385 1.00 0.00 O ATOM 201 CB ASP A 438 0.191 -6.459 -11.476 1.00 0.00 C ATOM 202 CG ASP A 438 1.221 -7.587 -11.645 1.00 0.00 C ATOM 203 OD1 ASP A 438 0.851 -8.771 -11.461 1.00 0.00 O ATOM 204 OD2 ASP A 438 2.401 -7.292 -11.959 1.00 0.00 O ATOM 0 H ASP A 438 -0.571 -7.894 -9.672 1.00 0.00 H new ATOM 0 HA ASP A 438 1.104 -5.645 -9.665 1.00 0.00 H new ATOM 0 HB2 ASP A 438 -0.792 -6.818 -11.781 1.00 0.00 H new ATOM 0 HB3 ASP A 438 0.448 -5.632 -12.138 1.00 0.00 H new ATOM 209 N HIS A 439 -1.968 -4.807 -9.392 1.00 0.00 N ATOM 210 CA HIS A 439 -2.974 -3.753 -9.208 1.00 0.00 C ATOM 211 C HIS A 439 -3.101 -3.281 -7.743 1.00 0.00 C ATOM 212 O HIS A 439 -4.071 -2.606 -7.394 1.00 0.00 O ATOM 213 CB HIS A 439 -4.308 -4.280 -9.759 1.00 0.00 C ATOM 214 CG HIS A 439 -4.814 -5.491 -9.012 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.351 -6.802 -9.181 1.00 0.00 N ATOM 216 CD2 HIS A 439 -5.728 -5.474 -8.002 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.002 -7.540 -8.265 1.00 0.00 C ATOM 218 NE2 HIS A 439 -5.835 -6.769 -7.547 1.00 0.00 N ATOM 0 H HIS A 439 -2.290 -5.704 -9.028 1.00 0.00 H new ATOM 0 HA HIS A 439 -2.661 -2.864 -9.755 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.055 -3.488 -9.706 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.186 -4.534 -10.812 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.264 -4.613 -7.631 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -4.873 -8.603 -8.126 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -6.443 -7.088 -6.793 1.00 0.00 H new ATOM 226 N VAL A 440 -2.132 -3.616 -6.881 1.00 0.00 N ATOM 227 CA VAL A 440 -2.144 -3.307 -5.437 1.00 0.00 C ATOM 228 C VAL A 440 -0.927 -2.455 -5.046 1.00 0.00 C ATOM 229 O VAL A 440 0.184 -2.631 -5.556 1.00 0.00 O ATOM 230 CB VAL A 440 -2.220 -4.603 -4.592 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.387 -4.322 -3.087 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.402 -5.489 -5.013 1.00 0.00 C ATOM 0 H VAL A 440 -1.295 -4.122 -7.171 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.039 -2.722 -5.225 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.272 -5.109 -4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.435 -5.266 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.538 -3.740 -2.729 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.307 -3.761 -2.921 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.421 -6.388 -4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.334 -4.939 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.291 -5.769 -6.060 1.00 0.00 H new ATOM 242 N LEU A 441 -1.147 -1.537 -4.105 1.00 0.00 N ATOM 243 CA LEU A 441 -0.166 -0.629 -3.511 1.00 0.00 C ATOM 244 C LEU A 441 -0.006 -0.894 -2.010 1.00 0.00 C ATOM 245 O LEU A 441 -0.877 -1.480 -1.366 1.00 0.00 O ATOM 246 CB LEU A 441 -0.655 0.827 -3.665 1.00 0.00 C ATOM 247 CG LEU A 441 -0.851 1.341 -5.096 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.485 2.727 -5.035 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.479 1.440 -5.840 1.00 0.00 C ATOM 0 H LEU A 441 -2.078 -1.399 -3.711 1.00 0.00 H new ATOM 0 HA LEU A 441 0.784 -0.790 -4.020 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.603 0.925 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 441 0.059 1.480 -3.164 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.492 0.640 -5.630 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.630 3.105 -6.047 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.448 2.664 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -0.830 3.403 -4.486 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.304 1.807 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 441 1.140 2.128 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.944 0.455 -5.887 1.00 0.00 H new ATOM 261 N HIS A 442 1.072 -0.356 -1.449 1.00 0.00 N ATOM 262 CA HIS A 442 1.341 -0.228 -0.019 1.00 0.00 C ATOM 263 C HIS A 442 1.574 1.260 0.276 1.00 0.00 C ATOM 264 O HIS A 442 2.202 1.968 -0.517 1.00 0.00 O ATOM 265 CB HIS A 442 2.549 -1.093 0.366 1.00 0.00 C ATOM 266 CG HIS A 442 3.029 -0.813 1.767 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.991 0.142 2.110 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.514 -1.352 2.909 1.00 0.00 C ATOM 269 CE1 HIS A 442 4.032 0.162 3.453 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.167 -0.734 3.955 1.00 0.00 N ATOM 0 H HIS A 442 1.829 0.027 -2.015 1.00 0.00 H new ATOM 0 HA HIS A 442 0.501 -0.582 0.578 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.281 -2.146 0.280 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.362 -0.912 -0.337 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.748 -2.111 2.980 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.668 0.805 4.043 1.00 0.00 H new ATOM 0 HE2 HIS A 442 3.018 -0.926 4.946 1.00 0.00 H new ATOM 278 N VAL A 443 1.038 1.741 1.397 1.00 0.00 N ATOM 279 CA VAL A 443 0.955 3.167 1.740 1.00 0.00 C ATOM 280 C VAL A 443 1.391 3.377 3.192 1.00 0.00 C ATOM 281 O VAL A 443 1.033 2.585 4.069 1.00 0.00 O ATOM 282 CB VAL A 443 -0.487 3.696 1.545 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.539 5.229 1.493 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.154 3.200 0.254 1.00 0.00 C ATOM 0 H VAL A 443 0.637 1.136 2.114 1.00 0.00 H new ATOM 0 HA VAL A 443 1.619 3.721 1.077 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.023 3.309 2.412 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.570 5.554 1.355 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.152 5.638 2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 443 0.068 5.586 0.661 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.161 3.610 0.184 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.569 3.526 -0.606 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.206 2.111 0.266 1.00 0.00 H new ATOM 294 N THR A 444 2.121 4.465 3.447 1.00 0.00 N ATOM 295 CA THR A 444 2.682 4.821 4.764 1.00 0.00 C ATOM 296 C THR A 444 2.385 6.289 5.072 1.00 0.00 C ATOM 297 O THR A 444 2.562 7.156 4.212 1.00 0.00 O ATOM 298 CB THR A 444 4.207 4.593 4.814 1.00 0.00 C ATOM 299 OG1 THR A 444 4.581 3.371 4.209 1.00 0.00 O ATOM 300 CG2 THR A 444 4.727 4.546 6.251 1.00 0.00 C ATOM 0 H THR A 444 2.348 5.148 2.724 1.00 0.00 H new ATOM 0 HA THR A 444 2.215 4.176 5.508 1.00 0.00 H new ATOM 0 HB THR A 444 4.640 5.435 4.274 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.554 3.265 4.260 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.805 4.384 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.506 5.490 6.749 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.242 3.731 6.787 1.00 0.00 H new ATOM 308 N PHE A 445 1.919 6.582 6.286 1.00 0.00 N ATOM 309 CA PHE A 445 1.376 7.896 6.668 1.00 0.00 C ATOM 310 C PHE A 445 1.398 8.119 8.201 1.00 0.00 C ATOM 311 O PHE A 445 1.423 7.143 8.959 1.00 0.00 O ATOM 312 CB PHE A 445 -0.067 7.991 6.126 1.00 0.00 C ATOM 313 CG PHE A 445 -0.893 6.730 6.332 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.416 6.429 7.600 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.061 5.809 5.280 1.00 0.00 C ATOM 316 CE1 PHE A 445 -2.088 5.218 7.822 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.719 4.587 5.502 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.233 4.290 6.775 1.00 0.00 C ATOM 0 H PHE A 445 1.906 5.905 7.048 1.00 0.00 H new ATOM 0 HA PHE A 445 2.003 8.677 6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.572 8.826 6.612 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.029 8.217 5.060 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.300 7.134 8.409 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.682 6.043 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.495 4.998 8.798 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.829 3.878 4.695 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.738 3.352 6.949 1.00 0.00 H new ATOM 328 N PRO A 446 1.372 9.377 8.689 1.00 0.00 N ATOM 329 CA PRO A 446 1.183 9.700 10.107 1.00 0.00 C ATOM 330 C PRO A 446 -0.071 9.055 10.720 1.00 0.00 C ATOM 331 O PRO A 446 -1.114 8.961 10.069 1.00 0.00 O ATOM 332 CB PRO A 446 1.086 11.230 10.176 1.00 0.00 C ATOM 333 CG PRO A 446 1.832 11.699 8.932 1.00 0.00 C ATOM 334 CD PRO A 446 1.532 10.600 7.916 1.00 0.00 C ATOM 0 HA PRO A 446 2.016 9.303 10.688 1.00 0.00 H new ATOM 0 HB2 PRO A 446 0.049 11.566 10.171 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.542 11.619 11.086 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.477 12.671 8.591 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.902 11.797 9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.628 10.826 7.351 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.343 10.503 7.194 1.00 0.00 H new ATOM 342 N LYS A 447 -0.002 8.685 12.007 1.00 0.00 N ATOM 343 CA LYS A 447 -1.104 8.053 12.767 1.00 0.00 C ATOM 344 C LYS A 447 -2.435 8.823 12.746 1.00 0.00 C ATOM 345 O LYS A 447 -3.501 8.224 12.893 1.00 0.00 O ATOM 346 CB LYS A 447 -0.645 7.777 14.212 1.00 0.00 C ATOM 347 CG LYS A 447 -0.382 9.054 15.034 1.00 0.00 C ATOM 348 CD LYS A 447 0.124 8.716 16.444 1.00 0.00 C ATOM 349 CE LYS A 447 0.442 9.974 17.265 1.00 0.00 C ATOM 350 NZ LYS A 447 -0.776 10.740 17.636 1.00 0.00 N ATOM 0 H LYS A 447 0.840 8.818 12.567 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.325 7.117 12.254 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.405 7.181 14.717 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.265 7.178 14.186 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.353 9.674 14.521 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.299 9.639 15.105 1.00 0.00 H new ATOM 0 HD2 LYS A 447 -0.628 8.125 16.966 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.019 8.098 16.368 1.00 0.00 H new ATOM 0 HE2 LYS A 447 0.975 9.686 18.171 1.00 0.00 H new ATOM 0 HE3 LYS A 447 1.110 10.617 16.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.520 11.499 18.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -1.199 11.155 16.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -1.463 10.103 18.088 1.00 0.00 H new ATOM 364 N GLU A 448 -2.370 10.139 12.536 1.00 0.00 N ATOM 365 CA GLU A 448 -3.510 11.062 12.453 1.00 0.00 C ATOM 366 C GLU A 448 -4.478 10.775 11.287 1.00 0.00 C ATOM 367 O GLU A 448 -5.619 11.244 11.319 1.00 0.00 O ATOM 368 CB GLU A 448 -2.990 12.507 12.324 1.00 0.00 C ATOM 369 CG GLU A 448 -2.052 12.965 13.452 1.00 0.00 C ATOM 370 CD GLU A 448 -2.710 12.890 14.843 1.00 0.00 C ATOM 371 OE1 GLU A 448 -3.695 13.625 15.100 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.233 12.103 15.696 1.00 0.00 O ATOM 0 H GLU A 448 -1.477 10.617 12.413 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.079 10.917 13.371 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.465 12.604 11.374 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -3.845 13.182 12.286 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -1.155 12.346 13.446 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -1.734 13.990 13.260 1.00 0.00 H new ATOM 379 N TRP A 449 -4.049 10.025 10.263 1.00 0.00 N ATOM 380 CA TRP A 449 -4.885 9.605 9.129 1.00 0.00 C ATOM 381 C TRP A 449 -5.960 8.575 9.524 1.00 0.00 C ATOM 382 O TRP A 449 -5.811 7.820 10.492 1.00 0.00 O ATOM 383 CB TRP A 449 -3.994 9.009 8.025 1.00 0.00 C ATOM 384 CG TRP A 449 -3.252 9.992 7.167 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.348 10.902 7.598 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.337 10.172 5.717 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.884 11.641 6.526 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.471 11.246 5.345 1.00 0.00 C ATOM 389 CE3 TRP A 449 -4.060 9.546 4.676 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.352 11.694 4.023 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.944 9.986 3.341 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.096 11.060 3.014 1.00 0.00 C ATOM 0 H TRP A 449 -3.089 9.685 10.198 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.404 10.494 8.771 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.267 8.346 8.493 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.617 8.392 7.378 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.036 11.031 8.624 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.192 12.387 6.601 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.712 8.717 4.907 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.696 12.517 3.782 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.510 9.495 2.564 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.017 11.396 1.991 1.00 0.00 H new ATOM 403 N LYS A 450 -7.024 8.507 8.714 1.00 0.00 N ATOM 404 CA LYS A 450 -8.114 7.523 8.794 1.00 0.00 C ATOM 405 C LYS A 450 -8.367 6.867 7.432 1.00 0.00 C ATOM 406 O LYS A 450 -7.939 7.373 6.393 1.00 0.00 O ATOM 407 CB LYS A 450 -9.415 8.165 9.331 1.00 0.00 C ATOM 408 CG LYS A 450 -9.337 8.732 10.760 1.00 0.00 C ATOM 409 CD LYS A 450 -8.853 10.184 10.795 1.00 0.00 C ATOM 410 CE LYS A 450 -8.879 10.737 12.222 1.00 0.00 C ATOM 411 NZ LYS A 450 -8.203 12.055 12.287 1.00 0.00 N ATOM 0 H LYS A 450 -7.156 9.168 7.948 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.802 6.750 9.496 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.707 8.969 8.656 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.208 7.418 9.299 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -10.321 8.670 11.225 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -8.664 8.115 11.355 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -7.840 10.243 10.397 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -9.485 10.797 10.152 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -9.911 10.835 12.560 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -8.387 10.037 12.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -8.232 12.412 13.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -7.213 11.953 11.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -8.689 12.726 11.658 1.00 0.00 H new ATOM 425 N THR A 451 -9.145 5.784 7.419 1.00 0.00 N ATOM 426 CA THR A 451 -9.670 5.131 6.205 1.00 0.00 C ATOM 427 C THR A 451 -10.379 6.130 5.278 1.00 0.00 C ATOM 428 O THR A 451 -10.283 6.024 4.058 1.00 0.00 O ATOM 429 CB THR A 451 -10.646 4.003 6.575 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.177 3.235 7.664 1.00 0.00 O ATOM 431 CG2 THR A 451 -10.888 3.037 5.419 1.00 0.00 C ATOM 0 H THR A 451 -9.440 5.317 8.277 1.00 0.00 H new ATOM 0 HA THR A 451 -8.814 4.716 5.673 1.00 0.00 H new ATOM 0 HB THR A 451 -11.574 4.511 6.836 1.00 0.00 H new ATOM 0 HG1 THR A 451 -10.825 2.529 7.870 1.00 0.00 H new ATOM 0 HG21 THR A 451 -11.585 2.260 5.734 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.309 3.580 4.573 1.00 0.00 H new ATOM 0 HG23 THR A 451 -9.944 2.580 5.123 1.00 0.00 H new ATOM 439 N SER A 452 -11.030 7.154 5.838 1.00 0.00 N ATOM 440 CA SER A 452 -11.645 8.254 5.084 1.00 0.00 C ATOM 441 C SER A 452 -10.641 9.117 4.310 1.00 0.00 C ATOM 442 O SER A 452 -10.882 9.444 3.148 1.00 0.00 O ATOM 443 CB SER A 452 -12.396 9.178 6.041 1.00 0.00 C ATOM 444 OG SER A 452 -13.456 8.494 6.695 1.00 0.00 O ATOM 0 H SER A 452 -11.147 7.245 6.847 1.00 0.00 H new ATOM 0 HA SER A 452 -12.307 7.778 4.361 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.704 9.576 6.784 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.795 10.029 5.489 1.00 0.00 H new ATOM 0 HG SER A 452 -13.917 9.110 7.302 1.00 0.00 H new ATOM 450 N ASP A 453 -9.503 9.473 4.915 1.00 0.00 N ATOM 451 CA ASP A 453 -8.422 10.204 4.231 1.00 0.00 C ATOM 452 C ASP A 453 -7.776 9.344 3.135 1.00 0.00 C ATOM 453 O ASP A 453 -7.353 9.852 2.095 1.00 0.00 O ATOM 454 CB ASP A 453 -7.338 10.633 5.229 1.00 0.00 C ATOM 455 CG ASP A 453 -7.877 11.512 6.363 1.00 0.00 C ATOM 456 OD1 ASP A 453 -8.299 12.665 6.100 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.864 11.044 7.526 1.00 0.00 O ATOM 0 H ASP A 453 -9.302 9.264 5.893 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.869 11.087 3.775 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.874 9.744 5.656 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.557 11.176 4.697 1.00 0.00 H new ATOM 462 N LEU A 454 -7.748 8.026 3.347 1.00 0.00 N ATOM 463 CA LEU A 454 -7.261 7.053 2.366 1.00 0.00 C ATOM 464 C LEU A 454 -8.231 6.919 1.177 1.00 0.00 C ATOM 465 O LEU A 454 -7.794 6.959 0.025 1.00 0.00 O ATOM 466 CB LEU A 454 -6.986 5.710 3.070 1.00 0.00 C ATOM 467 CG LEU A 454 -5.747 5.716 3.985 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.688 4.407 4.771 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.442 5.858 3.195 1.00 0.00 C ATOM 0 H LEU A 454 -8.067 7.599 4.217 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.321 7.406 1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -7.860 5.438 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -6.861 4.935 2.313 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.843 6.574 4.650 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -4.811 4.411 5.419 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.587 4.306 5.378 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.623 3.569 4.077 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.598 5.857 3.884 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.345 5.024 2.500 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.454 6.795 2.638 1.00 0.00 H new ATOM 481 N TYR A 455 -9.546 6.864 1.413 1.00 0.00 N ATOM 482 CA TYR A 455 -10.538 6.969 0.336 1.00 0.00 C ATOM 483 C TYR A 455 -10.438 8.313 -0.403 1.00 0.00 C ATOM 484 O TYR A 455 -10.473 8.327 -1.631 1.00 0.00 O ATOM 485 CB TYR A 455 -11.964 6.734 0.864 1.00 0.00 C ATOM 486 CG TYR A 455 -12.357 5.272 0.999 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.389 4.449 -0.145 1.00 0.00 C ATOM 488 CD2 TYR A 455 -12.731 4.742 2.250 1.00 0.00 C ATOM 489 CE1 TYR A 455 -12.759 3.094 -0.038 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.114 3.390 2.360 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.118 2.559 1.218 1.00 0.00 C ATOM 492 OH TYR A 455 -13.478 1.251 1.334 1.00 0.00 O ATOM 0 H TYR A 455 -9.950 6.747 2.342 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.313 6.183 -0.385 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.060 7.214 1.838 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.670 7.226 0.195 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.128 4.860 -1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -12.724 5.373 3.126 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -12.768 2.465 -0.916 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.405 2.989 3.320 1.00 0.00 H new ATOM 0 HH TYR A 455 -13.692 1.052 2.269 1.00 0.00 H new ATOM 502 N GLN A 456 -10.232 9.436 0.293 1.00 0.00 N ATOM 503 CA GLN A 456 -10.018 10.744 -0.347 1.00 0.00 C ATOM 504 C GLN A 456 -8.770 10.765 -1.260 1.00 0.00 C ATOM 505 O GLN A 456 -8.779 11.427 -2.302 1.00 0.00 O ATOM 506 CB GLN A 456 -9.962 11.831 0.740 1.00 0.00 C ATOM 507 CG GLN A 456 -10.015 13.253 0.162 1.00 0.00 C ATOM 508 CD GLN A 456 -10.058 14.309 1.266 1.00 0.00 C ATOM 509 OE1 GLN A 456 -9.057 14.633 1.896 1.00 0.00 O ATOM 510 NE2 GLN A 456 -11.206 14.892 1.548 1.00 0.00 N ATOM 0 H GLN A 456 -10.208 9.467 1.312 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.859 10.947 -1.011 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.795 11.692 1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -9.046 11.713 1.319 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -9.143 13.422 -0.470 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -10.894 13.355 -0.474 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -12.049 14.635 1.034 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -11.252 15.601 2.280 1.00 0.00 H new ATOM 519 N LEU A 457 -7.717 10.015 -0.910 1.00 0.00 N ATOM 520 CA LEU A 457 -6.481 9.888 -1.691 1.00 0.00 C ATOM 521 C LEU A 457 -6.616 8.974 -2.932 1.00 0.00 C ATOM 522 O LEU A 457 -5.948 9.227 -3.937 1.00 0.00 O ATOM 523 CB LEU A 457 -5.367 9.406 -0.736 1.00 0.00 C ATOM 524 CG LEU A 457 -3.972 9.215 -1.363 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.428 10.493 -2.007 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.976 8.780 -0.286 1.00 0.00 C ATOM 0 H LEU A 457 -7.702 9.465 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 457 -6.232 10.864 -2.108 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.281 10.123 0.080 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.678 8.458 -0.296 1.00 0.00 H new ATOM 0 HG LEU A 457 -4.086 8.457 -2.138 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.443 10.296 -2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -4.105 10.819 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.348 11.275 -1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.991 8.646 -0.734 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.921 9.544 0.489 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.305 7.839 0.155 1.00 0.00 H new ATOM 538 N PHE A 458 -7.487 7.954 -2.901 1.00 0.00 N ATOM 539 CA PHE A 458 -7.521 6.894 -3.932 1.00 0.00 C ATOM 540 C PHE A 458 -8.864 6.680 -4.661 1.00 0.00 C ATOM 541 O PHE A 458 -8.874 6.044 -5.717 1.00 0.00 O ATOM 542 CB PHE A 458 -7.031 5.583 -3.300 1.00 0.00 C ATOM 543 CG PHE A 458 -5.565 5.575 -2.908 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.571 5.543 -3.905 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.187 5.562 -1.552 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.211 5.512 -3.549 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.828 5.528 -1.196 1.00 0.00 C ATOM 548 CZ PHE A 458 -2.839 5.503 -2.193 1.00 0.00 C ATOM 0 H PHE A 458 -8.186 7.837 -2.167 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.860 7.239 -4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.631 5.377 -2.414 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.209 4.769 -4.002 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -4.854 5.542 -4.947 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -5.944 5.578 -0.782 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.452 5.495 -4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.544 5.521 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 458 -1.795 5.477 -1.919 1.00 0.00 H new ATOM 558 N SER A 459 -9.985 7.235 -4.188 1.00 0.00 N ATOM 559 CA SER A 459 -11.308 7.138 -4.846 1.00 0.00 C ATOM 560 C SER A 459 -11.324 7.689 -6.287 1.00 0.00 C ATOM 561 O SER A 459 -12.133 7.266 -7.117 1.00 0.00 O ATOM 562 CB SER A 459 -12.366 7.841 -3.983 1.00 0.00 C ATOM 563 OG SER A 459 -13.675 7.700 -4.511 1.00 0.00 O ATOM 0 H SER A 459 -10.007 7.775 -3.323 1.00 0.00 H new ATOM 0 HA SER A 459 -11.542 6.077 -4.933 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.338 7.431 -2.973 1.00 0.00 H new ATOM 0 HB3 SER A 459 -12.121 8.900 -3.904 1.00 0.00 H new ATOM 0 HG SER A 459 -14.314 8.161 -3.929 1.00 0.00 H new ATOM 569 N ALA A 460 -10.373 8.568 -6.632 1.00 0.00 N ATOM 570 CA ALA A 460 -10.129 9.046 -7.997 1.00 0.00 C ATOM 571 C ALA A 460 -9.893 7.923 -9.035 1.00 0.00 C ATOM 572 O ALA A 460 -10.168 8.117 -10.223 1.00 0.00 O ATOM 573 CB ALA A 460 -8.934 10.007 -7.952 1.00 0.00 C ATOM 0 H ALA A 460 -9.735 8.977 -5.949 1.00 0.00 H new ATOM 0 HA ALA A 460 -11.034 9.549 -8.339 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -8.729 10.379 -8.956 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -9.165 10.845 -7.294 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -8.058 9.480 -7.574 1.00 0.00 H new ATOM 579 N PHE A 461 -9.412 6.748 -8.606 1.00 0.00 N ATOM 580 CA PHE A 461 -9.196 5.576 -9.465 1.00 0.00 C ATOM 581 C PHE A 461 -10.439 4.674 -9.624 1.00 0.00 C ATOM 582 O PHE A 461 -10.501 3.889 -10.575 1.00 0.00 O ATOM 583 CB PHE A 461 -8.015 4.769 -8.905 1.00 0.00 C ATOM 584 CG PHE A 461 -6.682 5.500 -8.952 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.112 5.841 -10.193 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.011 5.841 -7.762 1.00 0.00 C ATOM 587 CE1 PHE A 461 -4.874 6.505 -10.247 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.776 6.515 -7.816 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.204 6.843 -9.058 1.00 0.00 C ATOM 0 H PHE A 461 -9.157 6.583 -7.632 1.00 0.00 H new ATOM 0 HA PHE A 461 -8.979 5.945 -10.467 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.232 4.498 -7.872 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -7.926 3.839 -9.466 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.628 5.591 -11.108 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.444 5.585 -6.806 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.437 6.756 -11.202 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.267 6.781 -6.901 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.253 7.353 -9.098 1.00 0.00 H new ATOM 599 N GLY A 462 -11.431 4.774 -8.733 1.00 0.00 N ATOM 600 CA GLY A 462 -12.657 3.966 -8.759 1.00 0.00 C ATOM 601 C GLY A 462 -13.121 3.515 -7.370 1.00 0.00 C ATOM 602 O GLY A 462 -12.732 4.079 -6.345 1.00 0.00 O ATOM 0 H GLY A 462 -11.404 5.434 -7.956 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.453 4.543 -9.230 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -12.490 3.087 -9.381 1.00 0.00 H new ATOM 606 N ASN A 463 -13.945 2.464 -7.336 1.00 0.00 N ATOM 607 CA ASN A 463 -14.381 1.762 -6.119 1.00 0.00 C ATOM 608 C ASN A 463 -13.269 0.867 -5.529 1.00 0.00 C ATOM 609 O ASN A 463 -13.356 -0.365 -5.495 1.00 0.00 O ATOM 610 CB ASN A 463 -15.676 1.011 -6.440 1.00 0.00 C ATOM 611 CG ASN A 463 -16.323 0.371 -5.217 1.00 0.00 C ATOM 612 OD1 ASN A 463 -16.233 0.859 -4.096 1.00 0.00 O ATOM 613 ND2 ASN A 463 -17.010 -0.736 -5.390 1.00 0.00 N ATOM 0 H ASN A 463 -14.343 2.062 -8.185 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.588 2.480 -5.325 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -16.384 1.702 -6.897 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -15.465 0.237 -7.178 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -17.464 -1.184 -4.594 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -17.089 -1.147 -6.320 1.00 0.00 H new ATOM 620 N ILE A 464 -12.186 1.527 -5.129 1.00 0.00 N ATOM 621 CA ILE A 464 -10.982 0.953 -4.504 1.00 0.00 C ATOM 622 C ILE A 464 -11.271 0.201 -3.188 1.00 0.00 C ATOM 623 O ILE A 464 -12.349 0.328 -2.598 1.00 0.00 O ATOM 624 CB ILE A 464 -9.914 2.051 -4.278 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.359 3.160 -3.293 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.463 2.679 -5.603 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.484 3.152 -2.039 1.00 0.00 C ATOM 0 H ILE A 464 -12.114 2.539 -5.236 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.599 0.209 -5.203 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.071 1.537 -3.817 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -10.296 4.133 -3.780 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -11.402 3.010 -3.015 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -8.713 3.445 -5.406 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.034 1.908 -6.244 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.320 3.130 -6.102 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -9.814 3.939 -1.360 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -9.569 2.185 -1.542 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -8.445 3.326 -2.319 1.00 0.00 H new ATOM 639 N GLN A 465 -10.278 -0.543 -2.688 1.00 0.00 N ATOM 640 CA GLN A 465 -10.340 -1.290 -1.421 1.00 0.00 C ATOM 641 C GLN A 465 -9.101 -0.999 -0.559 1.00 0.00 C ATOM 642 O GLN A 465 -8.026 -0.735 -1.097 1.00 0.00 O ATOM 643 CB GLN A 465 -10.463 -2.794 -1.732 1.00 0.00 C ATOM 644 CG GLN A 465 -10.998 -3.614 -0.545 1.00 0.00 C ATOM 645 CD GLN A 465 -11.221 -5.087 -0.899 1.00 0.00 C ATOM 646 OE1 GLN A 465 -10.461 -5.714 -1.628 1.00 0.00 O ATOM 647 NE2 GLN A 465 -12.272 -5.706 -0.398 1.00 0.00 N ATOM 0 H GLN A 465 -9.382 -0.647 -3.165 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.213 -0.972 -0.851 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.125 -2.929 -2.587 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.486 -3.180 -2.022 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -10.295 -3.546 0.285 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -11.938 -3.180 -0.203 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -12.918 -5.203 0.211 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -12.439 -6.687 -0.619 1.00 0.00 H new ATOM 656 N ILE A 466 -9.236 -1.068 0.770 1.00 0.00 N ATOM 657 CA ILE A 466 -8.193 -0.711 1.751 1.00 0.00 C ATOM 658 C ILE A 466 -8.062 -1.845 2.780 1.00 0.00 C ATOM 659 O ILE A 466 -9.069 -2.331 3.303 1.00 0.00 O ATOM 660 CB ILE A 466 -8.533 0.637 2.444 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.768 1.777 1.421 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.408 1.026 3.427 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.352 3.060 2.022 1.00 0.00 C ATOM 0 H ILE A 466 -10.100 -1.383 1.211 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.239 -0.584 1.239 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.464 0.497 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.820 2.016 0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.441 1.417 0.643 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.656 1.972 3.908 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.303 0.250 4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.469 1.130 2.883 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.483 3.803 1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.317 2.841 2.479 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.672 3.450 2.779 1.00 0.00 H new ATOM 675 N SER A 467 -6.827 -2.261 3.075 1.00 0.00 N ATOM 676 CA SER A 467 -6.496 -3.362 3.989 1.00 0.00 C ATOM 677 C SER A 467 -5.353 -2.972 4.933 1.00 0.00 C ATOM 678 O SER A 467 -4.178 -3.015 4.561 1.00 0.00 O ATOM 679 CB SER A 467 -6.123 -4.616 3.191 1.00 0.00 C ATOM 680 OG SER A 467 -7.257 -5.182 2.552 1.00 0.00 O ATOM 0 H SER A 467 -5.999 -1.825 2.670 1.00 0.00 H new ATOM 0 HA SER A 467 -7.376 -3.576 4.596 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.371 -4.363 2.443 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.674 -5.353 3.857 1.00 0.00 H new ATOM 0 HG SER A 467 -6.986 -5.979 2.050 1.00 0.00 H new ATOM 686 N TRP A 468 -5.695 -2.561 6.156 1.00 0.00 N ATOM 687 CA TRP A 468 -4.744 -2.183 7.209 1.00 0.00 C ATOM 688 C TRP A 468 -3.748 -3.295 7.579 1.00 0.00 C ATOM 689 O TRP A 468 -4.098 -4.479 7.584 1.00 0.00 O ATOM 690 CB TRP A 468 -5.524 -1.793 8.467 1.00 0.00 C ATOM 691 CG TRP A 468 -6.332 -0.537 8.360 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.675 -0.458 8.245 1.00 0.00 C ATOM 693 CD2 TRP A 468 -5.864 0.836 8.478 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.056 0.873 8.175 1.00 0.00 N ATOM 695 CE2 TRP A 468 -6.979 1.714 8.349 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.614 1.419 8.753 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -6.849 3.107 8.442 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.485 2.809 8.908 1.00 0.00 C ATOM 699 CH2 TRP A 468 -5.589 3.661 8.723 1.00 0.00 C ATOM 0 H TRP A 468 -6.668 -2.479 6.452 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.160 -1.352 6.813 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -6.193 -2.613 8.728 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.819 -1.682 9.291 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.348 -1.302 8.213 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.012 1.189 8.015 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.741 0.789 8.846 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -7.707 3.747 8.299 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -3.526 3.229 9.173 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -5.469 4.732 8.796 1.00 0.00 H new ATOM 710 N ILE A 469 -2.535 -2.895 7.980 1.00 0.00 N ATOM 711 CA ILE A 469 -1.504 -3.772 8.560 1.00 0.00 C ATOM 712 C ILE A 469 -0.809 -3.181 9.800 1.00 0.00 C ATOM 713 O ILE A 469 -0.251 -3.933 10.601 1.00 0.00 O ATOM 714 CB ILE A 469 -0.459 -4.166 7.499 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.192 -2.958 6.791 1.00 0.00 C ATOM 716 CG2 ILE A 469 -1.077 -5.136 6.482 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.401 -3.340 5.932 1.00 0.00 C ATOM 0 H ILE A 469 -2.232 -1.924 7.909 1.00 0.00 H new ATOM 0 HA ILE A 469 -2.033 -4.662 8.901 1.00 0.00 H new ATOM 0 HB ILE A 469 0.351 -4.665 8.030 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.552 -2.470 6.162 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.503 -2.230 7.541 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.329 -5.407 5.737 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -1.419 -6.034 6.997 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -1.923 -4.656 5.989 1.00 0.00 H new ATOM 0 HD11 ILE A 469 1.811 -2.446 5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.163 -3.802 6.560 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.091 -4.045 5.160 1.00 0.00 H new ATOM 729 N ASP A 470 -0.880 -1.864 10.005 1.00 0.00 N ATOM 730 CA ASP A 470 -0.404 -1.176 11.216 1.00 0.00 C ATOM 731 C ASP A 470 -1.178 0.133 11.466 1.00 0.00 C ATOM 732 O ASP A 470 -1.990 0.572 10.651 1.00 0.00 O ATOM 733 CB ASP A 470 1.111 -0.895 11.099 1.00 0.00 C ATOM 734 CG ASP A 470 1.879 -0.999 12.434 1.00 0.00 C ATOM 735 OD1 ASP A 470 1.325 -0.651 13.504 1.00 0.00 O ATOM 736 OD2 ASP A 470 3.058 -1.426 12.415 1.00 0.00 O ATOM 0 H ASP A 470 -1.280 -1.226 9.317 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.583 -1.830 12.070 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.545 -1.597 10.387 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.253 0.104 10.688 1.00 0.00 H new ATOM 741 N ASP A 471 -0.871 0.804 12.571 1.00 0.00 N ATOM 742 CA ASP A 471 -1.428 2.109 12.973 1.00 0.00 C ATOM 743 C ASP A 471 -1.047 3.265 12.015 1.00 0.00 C ATOM 744 O ASP A 471 -1.625 4.352 12.070 1.00 0.00 O ATOM 745 CB ASP A 471 -0.951 2.394 14.405 1.00 0.00 C ATOM 746 CG ASP A 471 -1.605 3.631 15.043 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.854 3.679 15.142 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.862 4.532 15.502 1.00 0.00 O ATOM 0 H ASP A 471 -0.198 0.444 13.247 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.516 2.054 12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -1.159 1.523 15.027 1.00 0.00 H new ATOM 0 HB3 ASP A 471 0.130 2.530 14.397 1.00 0.00 H new ATOM 753 N THR A 472 -0.083 3.021 11.122 1.00 0.00 N ATOM 754 CA THR A 472 0.542 3.987 10.195 1.00 0.00 C ATOM 755 C THR A 472 0.735 3.427 8.773 1.00 0.00 C ATOM 756 O THR A 472 1.349 4.085 7.927 1.00 0.00 O ATOM 757 CB THR A 472 1.917 4.422 10.743 1.00 0.00 C ATOM 758 OG1 THR A 472 2.712 3.282 11.024 1.00 0.00 O ATOM 759 CG2 THR A 472 1.797 5.238 12.032 1.00 0.00 C ATOM 0 H THR A 472 0.311 2.086 11.015 1.00 0.00 H new ATOM 0 HA THR A 472 -0.141 4.834 10.127 1.00 0.00 H new ATOM 0 HB THR A 472 2.376 5.043 9.974 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.583 3.568 11.370 1.00 0.00 H new ATOM 0 HG21 THR A 472 2.791 5.520 12.378 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.211 6.137 11.840 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.303 4.639 12.797 1.00 0.00 H new ATOM 767 N SER A 473 0.231 2.212 8.496 1.00 0.00 N ATOM 768 CA SER A 473 0.471 1.477 7.242 1.00 0.00 C ATOM 769 C SER A 473 -0.726 0.625 6.804 1.00 0.00 C ATOM 770 O SER A 473 -1.343 -0.077 7.614 1.00 0.00 O ATOM 771 CB SER A 473 1.673 0.533 7.393 1.00 0.00 C ATOM 772 OG SER A 473 2.891 1.229 7.595 1.00 0.00 O ATOM 0 H SER A 473 -0.365 1.704 9.149 1.00 0.00 H new ATOM 0 HA SER A 473 0.654 2.241 6.487 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.499 -0.139 8.233 1.00 0.00 H new ATOM 0 HB3 SER A 473 1.757 -0.088 6.501 1.00 0.00 H new ATOM 0 HG SER A 473 3.624 0.585 7.687 1.00 0.00 H new ATOM 778 N ALA A 474 -1.017 0.632 5.501 1.00 0.00 N ATOM 779 CA ALA A 474 -2.076 -0.167 4.879 1.00 0.00 C ATOM 780 C ALA A 474 -1.779 -0.487 3.402 1.00 0.00 C ATOM 781 O ALA A 474 -1.030 0.231 2.733 1.00 0.00 O ATOM 782 CB ALA A 474 -3.394 0.618 4.990 1.00 0.00 C ATOM 0 H ALA A 474 -0.509 1.209 4.831 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.142 -1.122 5.400 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.200 0.043 4.533 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.625 0.795 6.041 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.293 1.573 4.475 1.00 0.00 H new ATOM 788 N PHE A 475 -2.400 -1.545 2.877 1.00 0.00 N ATOM 789 CA PHE A 475 -2.446 -1.832 1.442 1.00 0.00 C ATOM 790 C PHE A 475 -3.676 -1.163 0.811 1.00 0.00 C ATOM 791 O PHE A 475 -4.695 -0.969 1.482 1.00 0.00 O ATOM 792 CB PHE A 475 -2.522 -3.342 1.178 1.00 0.00 C ATOM 793 CG PHE A 475 -1.321 -4.146 1.627 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.095 -4.009 0.949 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.443 -5.075 2.677 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.011 -4.790 1.330 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.346 -5.877 3.035 1.00 0.00 C ATOM 798 CZ PHE A 475 0.880 -5.729 2.367 1.00 0.00 C ATOM 0 H PHE A 475 -2.892 -2.236 3.444 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.531 -1.439 0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.407 -3.736 1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.663 -3.499 0.109 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.004 -3.304 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.379 -5.172 3.207 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.959 -4.668 0.827 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.446 -6.607 3.824 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.725 -6.339 2.651 1.00 0.00 H new ATOM 808 N VAL A 476 -3.614 -0.877 -0.493 1.00 0.00 N ATOM 809 CA VAL A 476 -4.732 -0.320 -1.277 1.00 0.00 C ATOM 810 C VAL A 476 -4.820 -1.015 -2.636 1.00 0.00 C ATOM 811 O VAL A 476 -3.852 -1.038 -3.393 1.00 0.00 O ATOM 812 CB VAL A 476 -4.606 1.210 -1.445 1.00 0.00 C ATOM 813 CG1 VAL A 476 -5.754 1.780 -2.288 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.638 1.925 -0.086 1.00 0.00 C ATOM 0 H VAL A 476 -2.772 -1.027 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.655 -0.507 -0.727 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.652 1.382 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -5.633 2.859 -2.385 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -5.741 1.323 -3.277 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.705 1.564 -1.801 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.547 3.000 -0.238 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.580 1.708 0.417 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.809 1.575 0.529 1.00 0.00 H new ATOM 824 N SER A 477 -5.986 -1.581 -2.950 1.00 0.00 N ATOM 825 CA SER A 477 -6.280 -2.241 -4.230 1.00 0.00 C ATOM 826 C SER A 477 -6.935 -1.262 -5.207 1.00 0.00 C ATOM 827 O SER A 477 -7.893 -0.572 -4.839 1.00 0.00 O ATOM 828 CB SER A 477 -7.240 -3.411 -3.995 1.00 0.00 C ATOM 829 OG SER A 477 -7.242 -4.273 -5.119 1.00 0.00 O ATOM 0 H SER A 477 -6.776 -1.595 -2.305 1.00 0.00 H new ATOM 0 HA SER A 477 -5.341 -2.598 -4.654 1.00 0.00 H new ATOM 0 HB2 SER A 477 -6.941 -3.963 -3.104 1.00 0.00 H new ATOM 0 HB3 SER A 477 -8.247 -3.035 -3.814 1.00 0.00 H new ATOM 0 HG SER A 477 -7.857 -5.019 -4.958 1.00 0.00 H new ATOM 835 N LEU A 478 -6.455 -1.220 -6.453 1.00 0.00 N ATOM 836 CA LEU A 478 -6.975 -0.375 -7.536 1.00 0.00 C ATOM 837 C LEU A 478 -7.641 -1.226 -8.633 1.00 0.00 C ATOM 838 O LEU A 478 -7.407 -2.433 -8.736 1.00 0.00 O ATOM 839 CB LEU A 478 -5.838 0.492 -8.116 1.00 0.00 C ATOM 840 CG LEU A 478 -5.067 1.368 -7.106 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.074 2.247 -7.863 1.00 0.00 C ATOM 842 CD2 LEU A 478 -5.973 2.297 -6.295 1.00 0.00 C ATOM 0 H LEU A 478 -5.665 -1.794 -6.748 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.741 0.284 -7.128 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.125 -0.166 -8.613 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.260 1.143 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.575 0.683 -6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.526 2.869 -7.155 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.374 1.616 -8.411 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.613 2.884 -8.564 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.367 2.884 -5.605 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.505 2.967 -6.970 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -6.692 1.703 -5.731 1.00 0.00 H new ATOM 854 N SER A 479 -8.482 -0.603 -9.465 1.00 0.00 N ATOM 855 CA SER A 479 -9.290 -1.296 -10.483 1.00 0.00 C ATOM 856 C SER A 479 -8.472 -1.912 -11.630 1.00 0.00 C ATOM 857 O SER A 479 -8.919 -2.888 -12.238 1.00 0.00 O ATOM 858 CB SER A 479 -10.337 -0.344 -11.074 1.00 0.00 C ATOM 859 OG SER A 479 -11.164 0.195 -10.049 1.00 0.00 O ATOM 0 H SER A 479 -8.625 0.407 -9.453 1.00 0.00 H new ATOM 0 HA SER A 479 -9.766 -2.123 -9.956 1.00 0.00 H new ATOM 0 HB2 SER A 479 -9.839 0.465 -11.609 1.00 0.00 H new ATOM 0 HB3 SER A 479 -10.951 -0.877 -11.801 1.00 0.00 H new ATOM 0 HG SER A 479 -11.824 0.801 -10.446 1.00 0.00 H new ATOM 865 N GLN A 480 -7.280 -1.375 -11.928 1.00 0.00 N ATOM 866 CA GLN A 480 -6.384 -1.840 -13.000 1.00 0.00 C ATOM 867 C GLN A 480 -4.894 -1.688 -12.615 1.00 0.00 C ATOM 868 O GLN A 480 -4.553 -0.786 -11.844 1.00 0.00 O ATOM 869 CB GLN A 480 -6.656 -1.036 -14.290 1.00 0.00 C ATOM 870 CG GLN A 480 -8.047 -1.276 -14.901 1.00 0.00 C ATOM 871 CD GLN A 480 -8.240 -0.590 -16.256 1.00 0.00 C ATOM 872 OE1 GLN A 480 -7.576 0.375 -16.618 1.00 0.00 O ATOM 873 NE2 GLN A 480 -9.163 -1.062 -17.069 1.00 0.00 N ATOM 0 H GLN A 480 -6.900 -0.580 -11.414 1.00 0.00 H new ATOM 0 HA GLN A 480 -6.587 -2.899 -13.160 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -6.545 0.026 -14.073 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.898 -1.291 -15.030 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -8.204 -2.348 -15.019 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -8.808 -0.916 -14.208 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -9.727 -1.864 -16.789 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -9.313 -0.625 -17.979 1.00 0.00 H new ATOM 882 N PRO A 481 -3.976 -2.500 -13.184 1.00 0.00 N ATOM 883 CA PRO A 481 -2.532 -2.373 -12.947 1.00 0.00 C ATOM 884 C PRO A 481 -1.909 -1.117 -13.587 1.00 0.00 C ATOM 885 O PRO A 481 -0.868 -0.644 -13.136 1.00 0.00 O ATOM 886 CB PRO A 481 -1.920 -3.663 -13.501 1.00 0.00 C ATOM 887 CG PRO A 481 -2.883 -4.064 -14.617 1.00 0.00 C ATOM 888 CD PRO A 481 -4.242 -3.629 -14.068 1.00 0.00 C ATOM 0 HA PRO A 481 -2.329 -2.244 -11.884 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -0.912 -3.498 -13.881 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -1.850 -4.435 -12.735 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -2.646 -3.561 -15.555 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -2.851 -5.136 -14.813 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -4.915 -3.342 -14.876 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -4.723 -4.444 -13.527 1.00 0.00 H new ATOM 896 N GLU A 482 -2.552 -0.519 -14.595 1.00 0.00 N ATOM 897 CA GLU A 482 -2.147 0.783 -15.152 1.00 0.00 C ATOM 898 C GLU A 482 -2.261 1.913 -14.109 1.00 0.00 C ATOM 899 O GLU A 482 -1.421 2.813 -14.057 1.00 0.00 O ATOM 900 CB GLU A 482 -3.002 1.078 -16.396 1.00 0.00 C ATOM 901 CG GLU A 482 -2.536 2.327 -17.155 1.00 0.00 C ATOM 902 CD GLU A 482 -3.314 2.497 -18.474 1.00 0.00 C ATOM 903 OE1 GLU A 482 -2.905 1.912 -19.507 1.00 0.00 O ATOM 904 OE2 GLU A 482 -4.339 3.224 -18.493 1.00 0.00 O ATOM 0 H GLU A 482 -3.370 -0.922 -15.051 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.096 0.736 -15.437 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -2.970 0.218 -17.066 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -4.041 1.208 -16.094 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -2.676 3.209 -16.530 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -1.469 2.251 -17.366 1.00 0.00 H new ATOM 911 N GLN A 483 -3.265 1.850 -13.230 1.00 0.00 N ATOM 912 CA GLN A 483 -3.496 2.848 -12.179 1.00 0.00 C ATOM 913 C GLN A 483 -2.420 2.814 -11.080 1.00 0.00 C ATOM 914 O GLN A 483 -2.105 3.852 -10.498 1.00 0.00 O ATOM 915 CB GLN A 483 -4.890 2.647 -11.576 1.00 0.00 C ATOM 916 CG GLN A 483 -6.004 2.835 -12.620 1.00 0.00 C ATOM 917 CD GLN A 483 -7.391 2.615 -12.028 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.620 1.738 -11.206 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.369 3.405 -12.413 1.00 0.00 N ATOM 0 H GLN A 483 -3.950 1.094 -13.227 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.433 3.833 -12.642 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -4.959 1.647 -11.149 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.036 3.353 -10.759 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.944 3.841 -13.036 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -5.848 2.139 -13.444 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.191 4.140 -13.098 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.305 3.283 -12.027 1.00 0.00 H new ATOM 928 N VAL A 484 -1.797 1.653 -10.839 1.00 0.00 N ATOM 929 CA VAL A 484 -0.617 1.527 -9.965 1.00 0.00 C ATOM 930 C VAL A 484 0.564 2.330 -10.513 1.00 0.00 C ATOM 931 O VAL A 484 1.194 3.070 -9.758 1.00 0.00 O ATOM 932 CB VAL A 484 -0.255 0.041 -9.752 1.00 0.00 C ATOM 933 CG1 VAL A 484 1.149 -0.198 -9.187 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.270 -0.589 -8.795 1.00 0.00 C ATOM 0 H VAL A 484 -2.097 0.767 -11.246 1.00 0.00 H new ATOM 0 HA VAL A 484 -0.864 1.949 -8.991 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.277 -0.415 -10.742 1.00 0.00 H new ATOM 0 HG11 VAL A 484 1.317 -1.269 -9.070 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.891 0.213 -9.871 1.00 0.00 H new ATOM 0 HG13 VAL A 484 1.239 0.291 -8.217 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.021 -1.639 -8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.244 -0.065 -7.840 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.270 -0.513 -9.223 1.00 0.00 H new ATOM 944 N GLN A 485 0.830 2.271 -11.824 1.00 0.00 N ATOM 945 CA GLN A 485 1.869 3.089 -12.463 1.00 0.00 C ATOM 946 C GLN A 485 1.576 4.595 -12.315 1.00 0.00 C ATOM 947 O GLN A 485 2.480 5.366 -11.987 1.00 0.00 O ATOM 948 CB GLN A 485 2.028 2.653 -13.933 1.00 0.00 C ATOM 949 CG GLN A 485 3.275 3.226 -14.633 1.00 0.00 C ATOM 950 CD GLN A 485 3.167 4.695 -15.056 1.00 0.00 C ATOM 951 OE1 GLN A 485 2.109 5.210 -15.402 1.00 0.00 O ATOM 952 NE2 GLN A 485 4.259 5.432 -15.061 1.00 0.00 N ATOM 0 H GLN A 485 0.333 1.657 -12.470 1.00 0.00 H new ATOM 0 HA GLN A 485 2.820 2.925 -11.957 1.00 0.00 H new ATOM 0 HB2 GLN A 485 2.070 1.565 -13.974 1.00 0.00 H new ATOM 0 HB3 GLN A 485 1.141 2.959 -14.488 1.00 0.00 H new ATOM 0 HG2 GLN A 485 4.129 3.119 -13.964 1.00 0.00 H new ATOM 0 HG3 GLN A 485 3.485 2.624 -15.517 1.00 0.00 H new ATOM 0 HE21 GLN A 485 5.150 5.025 -14.777 1.00 0.00 H new ATOM 0 HE22 GLN A 485 4.213 6.410 -15.349 1.00 0.00 H new ATOM 961 N ILE A 486 0.312 5.009 -12.481 1.00 0.00 N ATOM 962 CA ILE A 486 -0.118 6.404 -12.275 1.00 0.00 C ATOM 963 C ILE A 486 0.105 6.840 -10.817 1.00 0.00 C ATOM 964 O ILE A 486 0.715 7.881 -10.586 1.00 0.00 O ATOM 965 CB ILE A 486 -1.583 6.614 -12.733 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.720 6.336 -14.250 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.054 8.049 -12.421 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.169 6.285 -14.757 1.00 0.00 C ATOM 0 H ILE A 486 -0.445 4.386 -12.763 1.00 0.00 H new ATOM 0 HA ILE A 486 0.502 7.047 -12.900 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.212 5.913 -12.184 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.183 7.110 -14.799 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.234 5.387 -14.479 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.085 8.173 -12.751 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -1.993 8.227 -11.347 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.417 8.763 -12.944 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.173 6.086 -15.829 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.708 5.492 -14.239 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.656 7.241 -14.564 1.00 0.00 H new ATOM 980 N ALA A 487 -0.306 6.040 -9.827 1.00 0.00 N ATOM 981 CA ALA A 487 -0.104 6.344 -8.406 1.00 0.00 C ATOM 982 C ALA A 487 1.384 6.424 -8.002 1.00 0.00 C ATOM 983 O ALA A 487 1.774 7.288 -7.214 1.00 0.00 O ATOM 984 CB ALA A 487 -0.842 5.287 -7.581 1.00 0.00 C ATOM 0 H ALA A 487 -0.791 5.158 -9.990 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.508 7.337 -8.209 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -0.705 5.493 -6.519 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -1.905 5.314 -7.822 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.442 4.300 -7.813 1.00 0.00 H new ATOM 990 N VAL A 488 2.236 5.558 -8.566 1.00 0.00 N ATOM 991 CA VAL A 488 3.701 5.602 -8.390 1.00 0.00 C ATOM 992 C VAL A 488 4.327 6.848 -9.046 1.00 0.00 C ATOM 993 O VAL A 488 5.346 7.347 -8.565 1.00 0.00 O ATOM 994 CB VAL A 488 4.336 4.286 -8.896 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.867 4.311 -8.978 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.970 3.131 -7.949 1.00 0.00 C ATOM 0 H VAL A 488 1.926 4.794 -9.167 1.00 0.00 H new ATOM 0 HA VAL A 488 3.915 5.690 -7.325 1.00 0.00 H new ATOM 0 HB VAL A 488 3.940 4.154 -9.903 1.00 0.00 H new ATOM 0 HG11 VAL A 488 6.228 3.349 -9.342 1.00 0.00 H new ATOM 0 HG12 VAL A 488 6.182 5.099 -9.662 1.00 0.00 H new ATOM 0 HG13 VAL A 488 6.281 4.503 -7.988 1.00 0.00 H new ATOM 0 HG21 VAL A 488 4.420 2.207 -8.311 1.00 0.00 H new ATOM 0 HG22 VAL A 488 4.343 3.349 -6.948 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.886 3.018 -7.915 1.00 0.00 H new ATOM 1006 N ASN A 489 3.717 7.408 -10.099 1.00 0.00 N ATOM 1007 CA ASN A 489 4.114 8.710 -10.643 1.00 0.00 C ATOM 1008 C ASN A 489 3.655 9.880 -9.746 1.00 0.00 C ATOM 1009 O ASN A 489 4.444 10.776 -9.446 1.00 0.00 O ATOM 1010 CB ASN A 489 3.568 8.859 -12.075 1.00 0.00 C ATOM 1011 CG ASN A 489 4.101 10.107 -12.763 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.301 10.348 -12.828 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.240 10.948 -13.289 1.00 0.00 N ATOM 0 H ASN A 489 2.939 6.973 -10.594 1.00 0.00 H new ATOM 0 HA ASN A 489 5.203 8.750 -10.669 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.839 7.980 -12.659 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.479 8.899 -12.045 1.00 0.00 H new ATOM 0 HD21 ASN A 489 3.571 11.796 -13.748 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.240 10.753 -13.238 1.00 0.00 H new ATOM 1020 N THR A 490 2.396 9.884 -9.298 1.00 0.00 N ATOM 1021 CA THR A 490 1.805 11.003 -8.536 1.00 0.00 C ATOM 1022 C THR A 490 2.286 11.101 -7.084 1.00 0.00 C ATOM 1023 O THR A 490 2.254 12.190 -6.506 1.00 0.00 O ATOM 1024 CB THR A 490 0.269 10.964 -8.566 1.00 0.00 C ATOM 1025 OG1 THR A 490 -0.228 9.739 -8.086 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.271 11.184 -9.982 1.00 0.00 C ATOM 0 H THR A 490 1.750 9.110 -9.451 1.00 0.00 H new ATOM 0 HA THR A 490 2.160 11.897 -9.048 1.00 0.00 H new ATOM 0 HB THR A 490 -0.069 11.772 -7.917 1.00 0.00 H new ATOM 0 HG1 THR A 490 -1.207 9.748 -8.118 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.360 11.150 -9.965 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.056 12.157 -10.349 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.106 10.402 -10.641 1.00 0.00 H new ATOM 1034 N SER A 491 2.805 10.018 -6.495 1.00 0.00 N ATOM 1035 CA SER A 491 3.397 10.019 -5.144 1.00 0.00 C ATOM 1036 C SER A 491 4.591 10.975 -4.977 1.00 0.00 C ATOM 1037 O SER A 491 4.847 11.447 -3.866 1.00 0.00 O ATOM 1038 CB SER A 491 3.809 8.601 -4.740 1.00 0.00 C ATOM 1039 OG SER A 491 4.898 8.145 -5.522 1.00 0.00 O ATOM 0 H SER A 491 2.828 9.103 -6.945 1.00 0.00 H new ATOM 0 HA SER A 491 2.614 10.391 -4.483 1.00 0.00 H new ATOM 0 HB2 SER A 491 4.083 8.585 -3.685 1.00 0.00 H new ATOM 0 HB3 SER A 491 2.963 7.925 -4.860 1.00 0.00 H new ATOM 0 HG SER A 491 4.603 8.012 -6.447 1.00 0.00 H new ATOM 1045 N LYS A 492 5.278 11.335 -6.074 1.00 0.00 N ATOM 1046 CA LYS A 492 6.355 12.347 -6.111 1.00 0.00 C ATOM 1047 C LYS A 492 5.914 13.751 -5.660 1.00 0.00 C ATOM 1048 O LYS A 492 6.768 14.568 -5.307 1.00 0.00 O ATOM 1049 CB LYS A 492 6.961 12.410 -7.526 1.00 0.00 C ATOM 1050 CG LYS A 492 7.747 11.134 -7.878 1.00 0.00 C ATOM 1051 CD LYS A 492 8.380 11.190 -9.279 1.00 0.00 C ATOM 1052 CE LYS A 492 7.302 11.126 -10.366 1.00 0.00 C ATOM 1053 NZ LYS A 492 7.874 11.096 -11.734 1.00 0.00 N ATOM 0 H LYS A 492 5.096 10.920 -6.988 1.00 0.00 H new ATOM 0 HA LYS A 492 7.104 12.024 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.164 12.557 -8.255 1.00 0.00 H new ATOM 0 HB3 LYS A 492 7.622 13.274 -7.598 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.531 10.980 -7.136 1.00 0.00 H new ATOM 0 HG3 LYS A 492 7.079 10.274 -7.820 1.00 0.00 H new ATOM 0 HD2 LYS A 492 8.957 12.109 -9.386 1.00 0.00 H new ATOM 0 HD3 LYS A 492 9.076 10.360 -9.402 1.00 0.00 H new ATOM 0 HE2 LYS A 492 6.689 10.238 -10.213 1.00 0.00 H new ATOM 0 HE3 LYS A 492 6.643 11.989 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 7.133 10.833 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 8.248 12.036 -11.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.643 10.397 -11.773 1.00 0.00 H new ATOM 1067 N TYR A 493 4.607 14.027 -5.635 1.00 0.00 N ATOM 1068 CA TYR A 493 4.026 15.316 -5.234 1.00 0.00 C ATOM 1069 C TYR A 493 3.477 15.325 -3.790 1.00 0.00 C ATOM 1070 O TYR A 493 2.975 16.356 -3.331 1.00 0.00 O ATOM 1071 CB TYR A 493 2.935 15.706 -6.248 1.00 0.00 C ATOM 1072 CG TYR A 493 3.359 15.619 -7.708 1.00 0.00 C ATOM 1073 CD1 TYR A 493 4.469 16.356 -8.170 1.00 0.00 C ATOM 1074 CD2 TYR A 493 2.654 14.784 -8.599 1.00 0.00 C ATOM 1075 CE1 TYR A 493 4.882 16.248 -9.512 1.00 0.00 C ATOM 1076 CE2 TYR A 493 3.067 14.671 -9.941 1.00 0.00 C ATOM 1077 CZ TYR A 493 4.184 15.400 -10.402 1.00 0.00 C ATOM 1078 OH TYR A 493 4.577 15.286 -11.701 1.00 0.00 O ATOM 0 H TYR A 493 3.901 13.340 -5.901 1.00 0.00 H new ATOM 0 HA TYR A 493 4.826 16.056 -5.238 1.00 0.00 H new ATOM 0 HB2 TYR A 493 2.070 15.060 -6.096 1.00 0.00 H new ATOM 0 HB3 TYR A 493 2.612 16.726 -6.038 1.00 0.00 H new ATOM 0 HD1 TYR A 493 5.004 17.005 -7.493 1.00 0.00 H new ATOM 0 HD2 TYR A 493 1.795 14.229 -8.252 1.00 0.00 H new ATOM 0 HE1 TYR A 493 5.733 16.814 -9.862 1.00 0.00 H new ATOM 0 HE2 TYR A 493 2.528 14.025 -10.618 1.00 0.00 H new ATOM 0 HH TYR A 493 3.985 14.660 -12.168 1.00 0.00 H new ATOM 1088 N ALA A 494 3.563 14.205 -3.060 1.00 0.00 N ATOM 1089 CA ALA A 494 3.143 14.105 -1.661 1.00 0.00 C ATOM 1090 C ALA A 494 4.024 14.940 -0.707 1.00 0.00 C ATOM 1091 O ALA A 494 5.208 15.182 -0.963 1.00 0.00 O ATOM 1092 CB ALA A 494 3.163 12.630 -1.240 1.00 0.00 C ATOM 0 H ALA A 494 3.933 13.331 -3.433 1.00 0.00 H new ATOM 0 HA ALA A 494 2.135 14.513 -1.588 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.852 12.545 -0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.479 12.062 -1.871 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.172 12.234 -1.350 1.00 0.00 H new ATOM 1098 N GLU A 495 3.453 15.314 0.439 1.00 0.00 N ATOM 1099 CA GLU A 495 4.141 16.005 1.547 1.00 0.00 C ATOM 1100 C GLU A 495 3.734 15.457 2.938 1.00 0.00 C ATOM 1101 O GLU A 495 4.298 15.844 3.964 1.00 0.00 O ATOM 1102 CB GLU A 495 3.877 17.518 1.405 1.00 0.00 C ATOM 1103 CG GLU A 495 4.863 18.397 2.187 1.00 0.00 C ATOM 1104 CD GLU A 495 4.684 19.884 1.828 1.00 0.00 C ATOM 1105 OE1 GLU A 495 3.801 20.558 2.418 1.00 0.00 O ATOM 1106 OE2 GLU A 495 5.430 20.401 0.958 1.00 0.00 O ATOM 0 H GLU A 495 2.467 15.142 0.635 1.00 0.00 H new ATOM 0 HA GLU A 495 5.212 15.816 1.482 1.00 0.00 H new ATOM 0 HB2 GLU A 495 3.923 17.788 0.350 1.00 0.00 H new ATOM 0 HB3 GLU A 495 2.864 17.734 1.745 1.00 0.00 H new ATOM 0 HG2 GLU A 495 4.710 18.257 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 495 5.885 18.087 1.968 1.00 0.00 H new ATOM 1113 N SER A 496 2.778 14.520 2.982 1.00 0.00 N ATOM 1114 CA SER A 496 2.150 13.982 4.203 1.00 0.00 C ATOM 1115 C SER A 496 1.859 12.469 4.147 1.00 0.00 C ATOM 1116 O SER A 496 1.259 11.919 5.072 1.00 0.00 O ATOM 1117 CB SER A 496 0.863 14.769 4.479 1.00 0.00 C ATOM 1118 OG SER A 496 -0.029 14.696 3.374 1.00 0.00 O ATOM 0 H SER A 496 2.403 14.096 2.134 1.00 0.00 H new ATOM 0 HA SER A 496 2.865 14.105 5.016 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.376 14.374 5.370 1.00 0.00 H new ATOM 0 HB3 SER A 496 1.107 15.811 4.685 1.00 0.00 H new ATOM 0 HG SER A 496 -0.842 15.204 3.576 1.00 0.00 H new ATOM 1124 N TYR A 497 2.293 11.787 3.083 1.00 0.00 N ATOM 1125 CA TYR A 497 2.142 10.343 2.855 1.00 0.00 C ATOM 1126 C TYR A 497 3.215 9.821 1.876 1.00 0.00 C ATOM 1127 O TYR A 497 3.921 10.602 1.230 1.00 0.00 O ATOM 1128 CB TYR A 497 0.725 10.040 2.327 1.00 0.00 C ATOM 1129 CG TYR A 497 0.387 10.674 0.986 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -0.107 11.993 0.933 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.576 9.951 -0.208 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.394 12.595 -0.307 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.291 10.549 -1.452 1.00 0.00 C ATOM 1134 CZ TYR A 497 -0.191 11.877 -1.504 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.445 12.476 -2.700 1.00 0.00 O ATOM 0 H TYR A 497 2.784 12.249 2.317 1.00 0.00 H new ATOM 0 HA TYR A 497 2.282 9.826 3.804 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.610 8.960 2.240 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.001 10.380 3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.266 12.544 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 497 0.941 8.935 -0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.770 13.607 -0.342 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.441 9.993 -2.366 1.00 0.00 H new ATOM 0 HH TYR A 497 -0.254 11.848 -3.428 1.00 0.00 H new ATOM 1145 N ARG A 498 3.324 8.495 1.757 1.00 0.00 N ATOM 1146 CA ARG A 498 4.242 7.751 0.869 1.00 0.00 C ATOM 1147 C ARG A 498 3.540 6.526 0.282 1.00 0.00 C ATOM 1148 O ARG A 498 2.677 5.939 0.936 1.00 0.00 O ATOM 1149 CB ARG A 498 5.476 7.294 1.672 1.00 0.00 C ATOM 1150 CG ARG A 498 6.478 8.429 1.934 1.00 0.00 C ATOM 1151 CD ARG A 498 7.541 8.022 2.963 1.00 0.00 C ATOM 1152 NE ARG A 498 6.980 7.952 4.330 1.00 0.00 N ATOM 1153 CZ ARG A 498 7.559 7.440 5.401 1.00 0.00 C ATOM 1154 NH1 ARG A 498 8.735 6.878 5.355 1.00 0.00 N ATOM 1155 NH2 ARG A 498 6.961 7.486 6.556 1.00 0.00 N ATOM 0 H ARG A 498 2.740 7.867 2.310 1.00 0.00 H new ATOM 0 HA ARG A 498 4.551 8.407 0.055 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.149 6.879 2.625 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.978 6.492 1.131 1.00 0.00 H new ATOM 0 HG2 ARG A 498 6.964 8.708 0.999 1.00 0.00 H new ATOM 0 HG3 ARG A 498 5.945 9.310 2.291 1.00 0.00 H new ATOM 0 HD2 ARG A 498 7.959 7.053 2.691 1.00 0.00 H new ATOM 0 HD3 ARG A 498 8.361 8.740 2.942 1.00 0.00 H new ATOM 0 HE ARG A 498 6.046 8.341 4.459 1.00 0.00 H new ATOM 0 HH11 ARG A 498 9.240 6.823 4.470 1.00 0.00 H new ATOM 0 HH12 ARG A 498 9.150 6.494 6.204 1.00 0.00 H new ATOM 0 HH21 ARG A 498 6.041 7.919 6.637 1.00 0.00 H new ATOM 0 HH22 ARG A 498 7.412 7.089 7.380 1.00 0.00 H new ATOM 1169 N ILE A 499 3.931 6.133 -0.931 1.00 0.00 N ATOM 1170 CA ILE A 499 3.349 5.016 -1.703 1.00 0.00 C ATOM 1171 C ILE A 499 4.467 4.195 -2.370 1.00 0.00 C ATOM 1172 O ILE A 499 5.449 4.752 -2.871 1.00 0.00 O ATOM 1173 CB ILE A 499 2.358 5.545 -2.776 1.00 0.00 C ATOM 1174 CG1 ILE A 499 1.174 6.314 -2.142 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.804 4.407 -3.661 1.00 0.00 C ATOM 1176 CD1 ILE A 499 0.327 7.113 -3.140 1.00 0.00 C ATOM 0 H ILE A 499 4.691 6.597 -1.429 1.00 0.00 H new ATOM 0 HA ILE A 499 2.798 4.373 -1.016 1.00 0.00 H new ATOM 0 HB ILE A 499 2.932 6.231 -3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.530 5.602 -1.626 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.563 6.997 -1.387 1.00 0.00 H new ATOM 0 HG21 ILE A 499 1.115 4.821 -4.397 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.628 3.911 -4.174 1.00 0.00 H new ATOM 0 HG23 ILE A 499 1.277 3.685 -3.037 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.479 7.620 -2.609 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.954 7.852 -3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.096 6.436 -3.882 1.00 0.00 H new ATOM 1188 N GLN A 500 4.283 2.875 -2.422 1.00 0.00 N ATOM 1189 CA GLN A 500 5.075 1.912 -3.199 1.00 0.00 C ATOM 1190 C GLN A 500 4.155 0.794 -3.727 1.00 0.00 C ATOM 1191 O GLN A 500 3.026 0.649 -3.250 1.00 0.00 O ATOM 1192 CB GLN A 500 6.236 1.371 -2.339 1.00 0.00 C ATOM 1193 CG GLN A 500 5.800 0.498 -1.149 1.00 0.00 C ATOM 1194 CD GLN A 500 6.966 0.055 -0.264 1.00 0.00 C ATOM 1195 OE1 GLN A 500 8.114 -0.063 -0.677 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.728 -0.199 1.002 1.00 0.00 N ATOM 0 H GLN A 500 3.537 2.421 -1.895 1.00 0.00 H new ATOM 0 HA GLN A 500 5.521 2.402 -4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.901 0.788 -2.976 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.814 2.214 -1.961 1.00 0.00 H new ATOM 0 HG2 GLN A 500 5.084 1.053 -0.543 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.283 -0.385 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.781 -0.108 1.371 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.490 -0.487 1.616 1.00 0.00 H new ATOM 1205 N THR A 501 4.584 -0.010 -4.702 1.00 0.00 N ATOM 1206 CA THR A 501 3.783 -1.169 -5.152 1.00 0.00 C ATOM 1207 C THR A 501 3.761 -2.289 -4.101 1.00 0.00 C ATOM 1208 O THR A 501 4.626 -2.362 -3.220 1.00 0.00 O ATOM 1209 CB THR A 501 4.247 -1.743 -6.501 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.459 -2.446 -6.364 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.433 -0.675 -7.576 1.00 0.00 C ATOM 0 H THR A 501 5.469 0.111 -5.195 1.00 0.00 H new ATOM 0 HA THR A 501 2.774 -0.781 -5.287 1.00 0.00 H new ATOM 0 HB THR A 501 3.449 -2.415 -6.818 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.731 -2.802 -7.236 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.761 -1.145 -8.503 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.487 -0.160 -7.745 1.00 0.00 H new ATOM 0 HG23 THR A 501 5.184 0.044 -7.248 1.00 0.00 H new ATOM 1219 N TYR A 502 2.801 -3.213 -4.209 1.00 0.00 N ATOM 1220 CA TYR A 502 2.806 -4.443 -3.407 1.00 0.00 C ATOM 1221 C TYR A 502 4.090 -5.268 -3.630 1.00 0.00 C ATOM 1222 O TYR A 502 4.640 -5.818 -2.678 1.00 0.00 O ATOM 1223 CB TYR A 502 1.548 -5.259 -3.730 1.00 0.00 C ATOM 1224 CG TYR A 502 1.278 -6.418 -2.786 1.00 0.00 C ATOM 1225 CD1 TYR A 502 1.890 -7.670 -2.991 1.00 0.00 C ATOM 1226 CD2 TYR A 502 0.392 -6.245 -1.706 1.00 0.00 C ATOM 1227 CE1 TYR A 502 1.609 -8.745 -2.123 1.00 0.00 C ATOM 1228 CE2 TYR A 502 0.107 -7.315 -0.836 1.00 0.00 C ATOM 1229 CZ TYR A 502 0.717 -8.572 -1.044 1.00 0.00 C ATOM 1230 OH TYR A 502 0.437 -9.622 -0.224 1.00 0.00 O ATOM 0 H TYR A 502 2.008 -3.133 -4.846 1.00 0.00 H new ATOM 0 HA TYR A 502 2.796 -4.174 -2.351 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.686 -4.591 -3.718 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.636 -5.648 -4.744 1.00 0.00 H new ATOM 0 HD1 TYR A 502 2.576 -7.807 -3.814 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -0.073 -5.284 -1.543 1.00 0.00 H new ATOM 0 HE1 TYR A 502 2.078 -9.704 -2.285 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -0.576 -7.175 -0.012 1.00 0.00 H new ATOM 0 HH TYR A 502 -0.194 -9.336 0.470 1.00 0.00 H new ATOM 1240 N ALA A 503 4.615 -5.308 -4.862 1.00 0.00 N ATOM 1241 CA ALA A 503 5.870 -5.991 -5.188 1.00 0.00 C ATOM 1242 C ALA A 503 7.102 -5.347 -4.515 1.00 0.00 C ATOM 1243 O ALA A 503 7.972 -6.062 -4.012 1.00 0.00 O ATOM 1244 CB ALA A 503 6.021 -6.034 -6.713 1.00 0.00 C ATOM 0 H ALA A 503 4.175 -4.862 -5.667 1.00 0.00 H new ATOM 0 HA ALA A 503 5.823 -7.004 -4.789 1.00 0.00 H new ATOM 0 HB1 ALA A 503 6.951 -6.540 -6.972 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.180 -6.576 -7.147 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.039 -5.017 -7.106 1.00 0.00 H new ATOM 1250 N GLU A 504 7.170 -4.012 -4.444 1.00 0.00 N ATOM 1251 CA GLU A 504 8.221 -3.292 -3.706 1.00 0.00 C ATOM 1252 C GLU A 504 8.166 -3.580 -2.195 1.00 0.00 C ATOM 1253 O GLU A 504 9.209 -3.788 -1.571 1.00 0.00 O ATOM 1254 CB GLU A 504 8.114 -1.778 -3.947 1.00 0.00 C ATOM 1255 CG GLU A 504 8.583 -1.365 -5.348 1.00 0.00 C ATOM 1256 CD GLU A 504 8.439 0.156 -5.550 1.00 0.00 C ATOM 1257 OE1 GLU A 504 7.293 0.659 -5.629 1.00 0.00 O ATOM 1258 OE2 GLU A 504 9.479 0.856 -5.637 1.00 0.00 O ATOM 0 H GLU A 504 6.496 -3.396 -4.898 1.00 0.00 H new ATOM 0 HA GLU A 504 9.178 -3.653 -4.084 1.00 0.00 H new ATOM 0 HB2 GLU A 504 7.079 -1.465 -3.808 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.709 -1.253 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 504 9.624 -1.658 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 504 7.999 -1.893 -6.102 1.00 0.00 H new ATOM 1265 N TYR A 505 6.964 -3.660 -1.613 1.00 0.00 N ATOM 1266 CA TYR A 505 6.779 -4.076 -0.218 1.00 0.00 C ATOM 1267 C TYR A 505 7.191 -5.544 0.008 1.00 0.00 C ATOM 1268 O TYR A 505 7.928 -5.845 0.947 1.00 0.00 O ATOM 1269 CB TYR A 505 5.323 -3.829 0.203 1.00 0.00 C ATOM 1270 CG TYR A 505 5.030 -4.295 1.614 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.307 -3.454 2.710 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.535 -5.594 1.833 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.092 -3.911 4.026 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.326 -6.056 3.146 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.603 -5.217 4.247 1.00 0.00 C ATOM 1276 OH TYR A 505 4.404 -5.678 5.512 1.00 0.00 O ATOM 0 H TYR A 505 6.093 -3.438 -2.095 1.00 0.00 H new ATOM 0 HA TYR A 505 7.436 -3.474 0.410 1.00 0.00 H new ATOM 0 HB2 TYR A 505 5.103 -2.764 0.124 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.657 -4.344 -0.490 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.685 -2.456 2.541 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.315 -6.237 0.993 1.00 0.00 H new ATOM 0 HE1 TYR A 505 5.301 -3.263 4.864 1.00 0.00 H new ATOM 0 HE2 TYR A 505 3.952 -7.056 3.312 1.00 0.00 H new ATOM 0 HH TYR A 505 4.063 -6.596 5.476 1.00 0.00 H new