USER MOD reduce.3.24.130724 H: found=0, std=0, add=542, rem=0, adj=19 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 489 ASN : amide:sc= 0.456 K(o=0.96,f=-0.82) USER MOD Set 1.2: A 492 LYS NZ :NH3+ 154:sc= 0.507 (180deg=0) USER MOD Set 1.3: A 493 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 463 ASN : amide:sc= 0.531 K(o=1.8,f=0.74) USER MOD Set 2.2: A 479 SER OG : rot 78:sc= 1.23 USER MOD Set 3.1: A 442 HIS : no HD1:sc= 0.618 K(o=1.6,f=-0.86) USER MOD Set 3.2: A 500 GLN : amide:sc= 0.997 K(o=1.6,f=-0.72) USER MOD Single : A 439 HIS : no HD1:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0627 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= -0.0415 X(o=-0.042,f=-0.089) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.11) 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 477 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 483 GLN : amide:sc= -0.0343 K(o=-0.034,f=-1.8) USER MOD Single : A 485 GLN : amide:sc= 0.838 K(o=0.84,f=0) USER MOD Single : A 490 THR OG1 : rot 3:sc= -0.0354 USER MOD Single : A 491 SER OG : rot -117:sc= 0.215 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= 0.462 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 -1.660 -9.619 -8.025 1.00 0.00 N ATOM 174 CA ARG A 437 -0.984 -8.646 -7.134 1.00 0.00 C ATOM 175 C ARG A 437 -0.506 -7.379 -7.850 1.00 0.00 C ATOM 176 O ARG A 437 -0.304 -6.357 -7.198 1.00 0.00 O ATOM 177 CB ARG A 437 0.203 -9.315 -6.412 1.00 0.00 C ATOM 178 CG ARG A 437 -0.176 -10.367 -5.357 1.00 0.00 C ATOM 179 CD ARG A 437 -0.954 -9.770 -4.175 1.00 0.00 C ATOM 180 NE ARG A 437 -1.163 -10.768 -3.108 1.00 0.00 N ATOM 181 CZ ARG A 437 -1.708 -10.551 -1.924 1.00 0.00 C ATOM 182 NH1 ARG A 437 -2.133 -9.374 -1.560 1.00 0.00 N ATOM 183 NH2 ARG A 437 -1.847 -11.527 -1.074 1.00 0.00 N ATOM 0 HA ARG A 437 -1.737 -8.330 -6.412 1.00 0.00 H new ATOM 0 HB2 ARG A 437 0.841 -9.787 -7.159 1.00 0.00 H new ATOM 0 HB3 ARG A 437 0.797 -8.539 -5.930 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -0.778 -11.145 -5.826 1.00 0.00 H new ATOM 0 HG3 ARG A 437 0.730 -10.845 -4.985 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -0.410 -8.915 -3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -1.918 -9.399 -4.522 1.00 0.00 H new ATOM 0 HE ARG A 437 -0.856 -11.721 -3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -2.050 -8.582 -2.198 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -2.548 -9.245 -0.637 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -1.534 -12.466 -1.320 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -2.269 -11.353 -0.162 1.00 0.00 H new ATOM 197 N ASP A 438 -0.374 -7.399 -9.176 1.00 0.00 N ATOM 198 CA ASP A 438 0.025 -6.239 -9.990 1.00 0.00 C ATOM 199 C ASP A 438 -0.969 -5.052 -9.938 1.00 0.00 C ATOM 200 O ASP A 438 -0.615 -3.932 -10.311 1.00 0.00 O ATOM 201 CB ASP A 438 0.261 -6.715 -11.432 1.00 0.00 C ATOM 202 CG ASP A 438 1.019 -5.678 -12.279 1.00 0.00 C ATOM 203 OD1 ASP A 438 2.153 -5.294 -11.897 1.00 0.00 O ATOM 204 OD2 ASP A 438 0.510 -5.284 -13.354 1.00 0.00 O ATOM 0 H ASP A 438 -0.544 -8.238 -9.731 1.00 0.00 H new ATOM 0 HA ASP A 438 0.944 -5.838 -9.564 1.00 0.00 H new ATOM 0 HB2 ASP A 438 0.825 -7.648 -11.415 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -0.699 -6.931 -11.901 1.00 0.00 H new ATOM 209 N HIS A 439 -2.192 -5.267 -9.434 1.00 0.00 N ATOM 210 CA HIS A 439 -3.214 -4.236 -9.190 1.00 0.00 C ATOM 211 C HIS A 439 -3.203 -3.667 -7.751 1.00 0.00 C ATOM 212 O HIS A 439 -4.109 -2.913 -7.385 1.00 0.00 O ATOM 213 CB HIS A 439 -4.591 -4.819 -9.548 1.00 0.00 C ATOM 214 CG HIS A 439 -5.117 -5.812 -8.535 1.00 0.00 C ATOM 215 ND1 HIS A 439 -4.762 -7.162 -8.444 1.00 0.00 N ATOM 216 CD2 HIS A 439 -5.990 -5.519 -7.529 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.441 -7.647 -7.387 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.180 -6.680 -6.817 1.00 0.00 N ATOM 0 H HIS A 439 -2.510 -6.201 -9.174 1.00 0.00 H new ATOM 0 HA HIS A 439 -2.981 -3.383 -9.827 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.306 -4.002 -9.647 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.527 -5.306 -10.521 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.445 -4.560 -7.330 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.398 -8.671 -7.045 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -6.778 -6.788 -5.998 1.00 0.00 H new ATOM 226 N VAL A 440 -2.208 -4.020 -6.924 1.00 0.00 N ATOM 227 CA VAL A 440 -2.175 -3.730 -5.475 1.00 0.00 C ATOM 228 C VAL A 440 -0.995 -2.825 -5.103 1.00 0.00 C ATOM 229 O VAL A 440 0.135 -3.002 -5.568 1.00 0.00 O ATOM 230 CB VAL A 440 -2.135 -5.030 -4.637 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.326 -4.760 -3.134 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.225 -6.022 -5.062 1.00 0.00 C ATOM 0 H VAL A 440 -1.384 -4.526 -7.247 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.097 -3.198 -5.241 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.147 -5.454 -4.818 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.290 -5.702 -2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.531 -4.104 -2.778 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.292 -4.282 -2.970 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.160 -6.920 -4.447 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.205 -5.563 -4.931 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.086 -6.289 -6.110 1.00 0.00 H new ATOM 242 N LEU A 441 -1.269 -1.875 -4.209 1.00 0.00 N ATOM 243 CA LEU A 441 -0.321 -0.931 -3.618 1.00 0.00 C ATOM 244 C LEU A 441 -0.134 -1.186 -2.118 1.00 0.00 C ATOM 245 O LEU A 441 -0.954 -1.835 -1.470 1.00 0.00 O ATOM 246 CB LEU A 441 -0.870 0.500 -3.790 1.00 0.00 C ATOM 247 CG LEU A 441 -1.024 0.982 -5.237 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.752 2.319 -5.239 1.00 0.00 C ATOM 249 CD2 LEU A 441 0.335 1.171 -5.909 1.00 0.00 C ATOM 0 H LEU A 441 -2.216 -1.736 -3.857 1.00 0.00 H new ATOM 0 HA LEU A 441 0.638 -1.057 -4.121 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -1.843 0.558 -3.302 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.208 1.189 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 441 -1.585 0.228 -5.789 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -1.866 2.670 -6.265 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.736 2.198 -4.785 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.176 3.048 -4.668 1.00 0.00 H new ATOM 0 HD21 LEU A 441 0.190 1.513 -6.934 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.914 1.912 -5.358 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.872 0.223 -5.916 1.00 0.00 H new ATOM 261 N HIS A 442 0.906 -0.573 -1.563 1.00 0.00 N ATOM 262 CA HIS A 442 1.201 -0.434 -0.139 1.00 0.00 C ATOM 263 C HIS A 442 1.442 1.053 0.149 1.00 0.00 C ATOM 264 O HIS A 442 2.037 1.765 -0.666 1.00 0.00 O ATOM 265 CB HIS A 442 2.422 -1.290 0.216 1.00 0.00 C ATOM 266 CG HIS A 442 2.892 -1.082 1.633 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.773 -0.084 2.062 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.464 -1.787 2.716 1.00 0.00 C ATOM 269 CE1 HIS A 442 3.840 -0.202 3.400 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.073 -1.225 3.817 1.00 0.00 N ATOM 0 H HIS A 442 1.619 -0.126 -2.139 1.00 0.00 H new ATOM 0 HA HIS A 442 0.370 -0.783 0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.177 -2.342 0.071 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.236 -1.055 -0.470 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.781 -2.623 2.713 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.426 0.434 4.047 1.00 0.00 H new ATOM 0 HE2 HIS A 442 2.961 -1.532 4.783 1.00 0.00 H new ATOM 278 N VAL A 443 0.955 1.530 1.293 1.00 0.00 N ATOM 279 CA VAL A 443 0.884 2.953 1.649 1.00 0.00 C ATOM 280 C VAL A 443 1.338 3.140 3.096 1.00 0.00 C ATOM 281 O VAL A 443 0.988 2.338 3.966 1.00 0.00 O ATOM 282 CB VAL A 443 -0.557 3.494 1.488 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.586 5.028 1.426 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.265 2.995 0.222 1.00 0.00 C ATOM 0 H VAL A 443 0.586 0.921 2.023 1.00 0.00 H new ATOM 0 HA VAL A 443 1.539 3.509 0.978 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.078 3.119 2.369 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -1.615 5.368 1.313 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.168 5.437 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 443 0.004 5.369 0.576 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.270 3.416 0.177 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -0.701 3.307 -0.657 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.328 1.907 0.245 1.00 0.00 H new ATOM 294 N THR A 444 2.078 4.220 3.361 1.00 0.00 N ATOM 295 CA THR A 444 2.617 4.564 4.691 1.00 0.00 C ATOM 296 C THR A 444 2.371 6.046 4.984 1.00 0.00 C ATOM 297 O THR A 444 2.554 6.892 4.106 1.00 0.00 O ATOM 298 CB THR A 444 4.126 4.259 4.779 1.00 0.00 C ATOM 299 OG1 THR A 444 4.440 2.997 4.226 1.00 0.00 O ATOM 300 CG2 THR A 444 4.618 4.206 6.225 1.00 0.00 C ATOM 0 H THR A 444 2.328 4.900 2.643 1.00 0.00 H new ATOM 0 HA THR A 444 2.103 3.953 5.433 1.00 0.00 H new ATOM 0 HB THR A 444 4.607 5.067 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.404 2.839 4.298 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.686 3.988 6.238 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.437 5.167 6.706 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.082 3.424 6.763 1.00 0.00 H new ATOM 308 N PHE A 445 1.931 6.366 6.202 1.00 0.00 N ATOM 309 CA PHE A 445 1.429 7.698 6.579 1.00 0.00 C ATOM 310 C PHE A 445 1.480 7.945 8.108 1.00 0.00 C ATOM 311 O PHE A 445 1.514 6.982 8.885 1.00 0.00 O ATOM 312 CB PHE A 445 -0.020 7.826 6.058 1.00 0.00 C ATOM 313 CG PHE A 445 -0.874 6.582 6.260 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.394 6.276 7.529 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.076 5.683 5.194 1.00 0.00 C ATOM 316 CE1 PHE A 445 -2.110 5.086 7.733 1.00 0.00 C ATOM 317 CE2 PHE A 445 -1.766 4.477 5.402 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.287 4.181 6.671 1.00 0.00 C ATOM 0 H PHE A 445 1.911 5.697 6.972 1.00 0.00 H new ATOM 0 HA PHE A 445 2.073 8.454 6.130 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.500 8.667 6.559 1.00 0.00 H new ATOM 0 HB3 PHE A 445 0.009 8.063 4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.242 6.960 8.351 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -0.698 5.922 4.211 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.525 4.865 8.705 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -1.895 3.780 4.588 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.824 3.258 6.832 1.00 0.00 H new ATOM 328 N PRO A 446 1.469 9.214 8.572 1.00 0.00 N ATOM 329 CA PRO A 446 1.330 9.574 9.988 1.00 0.00 C ATOM 330 C PRO A 446 0.116 8.935 10.681 1.00 0.00 C ATOM 331 O PRO A 446 -0.952 8.779 10.083 1.00 0.00 O ATOM 332 CB PRO A 446 1.222 11.105 10.019 1.00 0.00 C ATOM 333 CG PRO A 446 1.942 11.541 8.747 1.00 0.00 C ATOM 334 CD PRO A 446 1.614 10.417 7.768 1.00 0.00 C ATOM 0 HA PRO A 446 2.189 9.197 10.542 1.00 0.00 H new ATOM 0 HB2 PRO A 446 0.183 11.434 10.024 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.693 11.522 10.909 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.582 12.506 8.390 1.00 0.00 H new ATOM 0 HG3 PRO A 446 3.016 11.639 8.904 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.697 10.633 7.220 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.407 10.299 7.029 1.00 0.00 H new ATOM 342 N LYS A 447 0.251 8.637 11.980 1.00 0.00 N ATOM 343 CA LYS A 447 -0.779 7.979 12.813 1.00 0.00 C ATOM 344 C LYS A 447 -2.112 8.733 12.951 1.00 0.00 C ATOM 345 O LYS A 447 -3.089 8.154 13.423 1.00 0.00 O ATOM 346 CB LYS A 447 -0.175 7.629 14.186 1.00 0.00 C ATOM 347 CG LYS A 447 0.084 8.847 15.092 1.00 0.00 C ATOM 348 CD LYS A 447 0.782 8.467 16.408 1.00 0.00 C ATOM 349 CE LYS A 447 -0.073 7.530 17.273 1.00 0.00 C ATOM 350 NZ LYS A 447 0.594 7.223 18.564 1.00 0.00 N ATOM 0 H LYS A 447 1.102 8.851 12.500 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.063 7.073 12.278 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -0.847 6.943 14.702 1.00 0.00 H new ATOM 0 HB3 LYS A 447 0.765 7.099 14.032 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.698 9.570 14.555 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -0.864 9.337 15.316 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.734 7.984 16.185 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.008 9.372 16.971 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.042 7.992 17.463 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -0.262 6.604 16.731 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -0.010 6.588 19.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 1.507 6.761 18.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 0.752 8.105 19.092 1.00 0.00 H new ATOM 364 N GLU A 448 -2.170 10.003 12.552 1.00 0.00 N ATOM 365 CA GLU A 448 -3.386 10.833 12.559 1.00 0.00 C ATOM 366 C GLU A 448 -4.382 10.496 11.427 1.00 0.00 C ATOM 367 O GLU A 448 -5.550 10.884 11.506 1.00 0.00 O ATOM 368 CB GLU A 448 -2.983 12.316 12.452 1.00 0.00 C ATOM 369 CG GLU A 448 -2.136 12.831 13.628 1.00 0.00 C ATOM 370 CD GLU A 448 -2.921 12.828 14.955 1.00 0.00 C ATOM 371 OE1 GLU A 448 -3.698 13.782 15.208 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.762 11.880 15.762 1.00 0.00 O ATOM 0 H GLU A 448 -1.352 10.502 12.204 1.00 0.00 H new ATOM 0 HA GLU A 448 -3.901 10.623 13.497 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.425 12.462 11.527 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -3.887 12.921 12.379 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -1.246 12.210 13.732 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -1.794 13.843 13.412 1.00 0.00 H new ATOM 379 N TRP A 449 -3.945 9.792 10.373 1.00 0.00 N ATOM 380 CA TRP A 449 -4.785 9.430 9.217 1.00 0.00 C ATOM 381 C TRP A 449 -5.931 8.466 9.563 1.00 0.00 C ATOM 382 O TRP A 449 -5.818 7.639 10.477 1.00 0.00 O ATOM 383 CB TRP A 449 -3.912 8.809 8.114 1.00 0.00 C ATOM 384 CG TRP A 449 -3.166 9.770 7.236 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.298 10.723 7.647 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.225 9.888 5.779 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.835 11.432 6.555 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.383 10.972 5.380 1.00 0.00 C ATOM 389 CE3 TRP A 449 -3.909 9.199 4.751 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.249 11.367 4.041 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -3.778 9.585 3.402 1.00 0.00 C ATOM 392 CH2 TRP A 449 -2.956 10.670 3.046 1.00 0.00 C ATOM 0 H TRP A 449 -2.986 9.453 10.296 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.247 10.355 8.873 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.188 8.143 8.585 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.549 8.191 7.481 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -2.011 10.902 8.673 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.169 12.202 6.613 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -4.543 8.362 5.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.610 12.197 3.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -4.313 9.044 2.635 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -2.869 10.966 2.011 1.00 0.00 H new ATOM 403 N LYS A 450 -6.992 8.509 8.751 1.00 0.00 N ATOM 404 CA LYS A 450 -8.164 7.615 8.773 1.00 0.00 C ATOM 405 C LYS A 450 -8.324 6.857 7.449 1.00 0.00 C ATOM 406 O LYS A 450 -7.805 7.273 6.410 1.00 0.00 O ATOM 407 CB LYS A 450 -9.439 8.455 9.013 1.00 0.00 C ATOM 408 CG LYS A 450 -9.491 9.280 10.308 1.00 0.00 C ATOM 409 CD LYS A 450 -9.513 8.408 11.569 1.00 0.00 C ATOM 410 CE LYS A 450 -9.834 9.275 12.790 1.00 0.00 C ATOM 411 NZ LYS A 450 -9.846 8.467 14.034 1.00 0.00 N ATOM 0 H LYS A 450 -7.064 9.210 8.014 1.00 0.00 H new ATOM 0 HA LYS A 450 -8.015 6.889 9.573 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.560 9.136 8.171 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.296 7.782 9.004 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -8.627 9.943 10.346 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -10.378 9.913 10.294 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -10.258 7.619 11.465 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -8.548 7.919 11.702 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -9.095 10.072 12.878 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -10.804 9.753 12.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -10.066 9.081 14.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -10.568 7.722 13.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -8.912 8.031 14.174 1.00 0.00 H new ATOM 425 N THR A 451 -9.144 5.803 7.449 1.00 0.00 N ATOM 426 CA THR A 451 -9.612 5.118 6.230 1.00 0.00 C ATOM 427 C THR A 451 -10.297 6.106 5.275 1.00 0.00 C ATOM 428 O THR A 451 -10.187 5.982 4.060 1.00 0.00 O ATOM 429 CB THR A 451 -10.604 3.991 6.567 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.183 3.235 7.685 1.00 0.00 O ATOM 431 CG2 THR A 451 -10.788 3.019 5.404 1.00 0.00 C ATOM 0 H THR A 451 -9.510 5.391 8.307 1.00 0.00 H new ATOM 0 HA THR A 451 -8.733 4.691 5.748 1.00 0.00 H new ATOM 0 HB THR A 451 -11.546 4.494 6.785 1.00 0.00 H new ATOM 0 HG1 THR A 451 -10.839 2.530 7.869 1.00 0.00 H new ATOM 0 HG21 THR A 451 -11.497 2.241 5.689 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.169 3.558 4.537 1.00 0.00 H new ATOM 0 HG23 THR A 451 -9.830 2.563 5.156 1.00 0.00 H new ATOM 439 N SER A 452 -10.951 7.143 5.809 1.00 0.00 N ATOM 440 CA SER A 452 -11.524 8.244 5.026 1.00 0.00 C ATOM 441 C SER A 452 -10.479 9.089 4.284 1.00 0.00 C ATOM 442 O SER A 452 -10.692 9.441 3.125 1.00 0.00 O ATOM 443 CB SER A 452 -12.304 9.183 5.942 1.00 0.00 C ATOM 444 OG SER A 452 -13.386 8.511 6.571 1.00 0.00 O ATOM 0 H SER A 452 -11.100 7.243 6.813 1.00 0.00 H new ATOM 0 HA SER A 452 -12.164 7.769 4.283 1.00 0.00 H new ATOM 0 HB2 SER A 452 -11.637 9.591 6.701 1.00 0.00 H new ATOM 0 HB3 SER A 452 -12.683 10.026 5.364 1.00 0.00 H new ATOM 0 HG SER A 452 -13.866 9.137 7.153 1.00 0.00 H new ATOM 450 N ASP A 453 -9.337 9.394 4.911 1.00 0.00 N ATOM 451 CA ASP A 453 -8.216 10.070 4.235 1.00 0.00 C ATOM 452 C ASP A 453 -7.596 9.172 3.155 1.00 0.00 C ATOM 453 O ASP A 453 -7.128 9.660 2.127 1.00 0.00 O ATOM 454 CB ASP A 453 -7.124 10.473 5.236 1.00 0.00 C ATOM 455 CG ASP A 453 -7.618 11.445 6.313 1.00 0.00 C ATOM 456 OD1 ASP A 453 -8.054 12.571 5.970 1.00 0.00 O ATOM 457 OD2 ASP A 453 -7.550 11.080 7.510 1.00 0.00 O ATOM 0 H ASP A 453 -9.161 9.183 5.893 1.00 0.00 H new ATOM 0 HA ASP A 453 -8.623 10.967 3.767 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -6.733 9.576 5.717 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.296 10.931 4.695 1.00 0.00 H new ATOM 462 N LEU A 454 -7.648 7.852 3.357 1.00 0.00 N ATOM 463 CA LEU A 454 -7.225 6.865 2.356 1.00 0.00 C ATOM 464 C LEU A 454 -8.203 6.811 1.166 1.00 0.00 C ATOM 465 O LEU A 454 -7.768 6.886 0.016 1.00 0.00 O ATOM 466 CB LEU A 454 -7.020 5.494 3.032 1.00 0.00 C ATOM 467 CG LEU A 454 -5.714 5.387 3.838 1.00 0.00 C ATOM 468 CD1 LEU A 454 -5.712 4.078 4.630 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.475 5.397 2.937 1.00 0.00 C ATOM 0 H LEU A 454 -7.986 7.435 4.224 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.267 7.170 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -7.862 5.297 3.695 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.028 4.718 2.267 1.00 0.00 H new ATOM 0 HG LEU A 454 -5.671 6.253 4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -4.787 4.000 5.202 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -6.562 4.064 5.312 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -5.785 3.236 3.942 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -3.578 5.319 3.551 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.518 4.552 2.250 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.446 6.326 2.368 1.00 0.00 H new ATOM 481 N TYR A 455 -9.519 6.796 1.405 1.00 0.00 N ATOM 482 CA TYR A 455 -10.516 6.971 0.340 1.00 0.00 C ATOM 483 C TYR A 455 -10.328 8.302 -0.412 1.00 0.00 C ATOM 484 O TYR A 455 -10.421 8.319 -1.637 1.00 0.00 O ATOM 485 CB TYR A 455 -11.948 6.852 0.891 1.00 0.00 C ATOM 486 CG TYR A 455 -12.447 5.429 1.076 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.648 4.608 -0.053 1.00 0.00 C ATOM 488 CD2 TYR A 455 -12.754 4.935 2.359 1.00 0.00 C ATOM 489 CE1 TYR A 455 -13.120 3.290 0.100 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.236 3.621 2.516 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.412 2.790 1.388 1.00 0.00 C ATOM 492 OH TYR A 455 -13.870 1.518 1.549 1.00 0.00 O ATOM 0 H TYR A 455 -9.922 6.664 2.333 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.359 6.165 -0.377 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -11.996 7.366 1.851 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -12.626 7.374 0.216 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.439 4.992 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -12.619 5.566 3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -13.259 2.662 -0.767 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -13.472 3.248 3.502 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.017 1.342 2.502 1.00 0.00 H new ATOM 502 N GLN A 456 -10.002 9.399 0.280 1.00 0.00 N ATOM 503 CA GLN A 456 -9.714 10.700 -0.341 1.00 0.00 C ATOM 504 C GLN A 456 -8.409 10.705 -1.171 1.00 0.00 C ATOM 505 O GLN A 456 -8.338 11.387 -2.195 1.00 0.00 O ATOM 506 CB GLN A 456 -9.689 11.777 0.760 1.00 0.00 C ATOM 507 CG GLN A 456 -9.613 13.223 0.239 1.00 0.00 C ATOM 508 CD GLN A 456 -10.800 13.632 -0.639 1.00 0.00 C ATOM 509 OE1 GLN A 456 -11.947 13.259 -0.416 1.00 0.00 O ATOM 510 NE2 GLN A 456 -10.581 14.417 -1.673 1.00 0.00 N ATOM 0 H GLN A 456 -9.929 9.411 1.297 1.00 0.00 H new ATOM 0 HA GLN A 456 -10.506 10.918 -1.057 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -10.584 11.672 1.373 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -8.834 11.593 1.410 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -9.552 13.902 1.089 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -8.693 13.345 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -9.635 14.739 -1.877 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -11.357 14.703 -2.270 1.00 0.00 H new ATOM 519 N LEU A 457 -7.388 9.938 -0.770 1.00 0.00 N ATOM 520 CA LEU A 457 -6.123 9.786 -1.504 1.00 0.00 C ATOM 521 C LEU A 457 -6.288 8.995 -2.819 1.00 0.00 C ATOM 522 O LEU A 457 -5.601 9.286 -3.800 1.00 0.00 O ATOM 523 CB LEU A 457 -5.086 9.134 -0.564 1.00 0.00 C ATOM 524 CG LEU A 457 -3.699 8.862 -1.181 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.030 10.127 -1.719 1.00 0.00 C ATOM 526 CD2 LEU A 457 -2.764 8.256 -0.132 1.00 0.00 C ATOM 0 H LEU A 457 -7.418 9.394 0.092 1.00 0.00 H new ATOM 0 HA LEU A 457 -5.772 10.772 -1.808 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -4.956 9.778 0.306 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -5.494 8.190 -0.203 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.868 8.175 -2.010 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.057 9.873 -2.141 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -3.657 10.569 -2.493 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.898 10.842 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -1.788 8.068 -0.580 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.654 8.950 0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.183 7.317 0.230 1.00 0.00 H new ATOM 538 N PHE A 458 -7.221 8.036 -2.862 1.00 0.00 N ATOM 539 CA PHE A 458 -7.385 7.097 -3.986 1.00 0.00 C ATOM 540 C PHE A 458 -8.729 7.224 -4.740 1.00 0.00 C ATOM 541 O PHE A 458 -8.990 6.454 -5.669 1.00 0.00 O ATOM 542 CB PHE A 458 -7.111 5.671 -3.473 1.00 0.00 C ATOM 543 CG PHE A 458 -5.672 5.427 -3.055 1.00 0.00 C ATOM 544 CD1 PHE A 458 -4.671 5.279 -4.031 1.00 0.00 C ATOM 545 CD2 PHE A 458 -5.323 5.350 -1.693 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.331 5.091 -3.653 1.00 0.00 C ATOM 547 CE2 PHE A 458 -3.983 5.167 -1.313 1.00 0.00 C ATOM 548 CZ PHE A 458 -2.985 5.041 -2.293 1.00 0.00 C ATOM 0 H PHE A 458 -7.893 7.886 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.655 7.357 -4.752 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -7.764 5.471 -2.623 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.377 4.958 -4.254 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -4.934 5.310 -5.078 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.089 5.432 -0.937 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -2.567 4.985 -4.409 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -3.720 5.123 -0.266 1.00 0.00 H new ATOM 0 HZ PHE A 458 -1.954 4.906 -2.001 1.00 0.00 H new ATOM 558 N SER A 459 -9.565 8.219 -4.417 1.00 0.00 N ATOM 559 CA SER A 459 -10.838 8.513 -5.108 1.00 0.00 C ATOM 560 C SER A 459 -10.691 8.806 -6.609 1.00 0.00 C ATOM 561 O SER A 459 -11.625 8.565 -7.379 1.00 0.00 O ATOM 562 CB SER A 459 -11.561 9.691 -4.442 1.00 0.00 C ATOM 563 OG SER A 459 -10.755 10.860 -4.471 1.00 0.00 O ATOM 0 H SER A 459 -9.374 8.862 -3.648 1.00 0.00 H new ATOM 0 HA SER A 459 -11.423 7.598 -5.017 1.00 0.00 H new ATOM 0 HB2 SER A 459 -12.504 9.881 -4.955 1.00 0.00 H new ATOM 0 HB3 SER A 459 -11.805 9.437 -3.410 1.00 0.00 H new ATOM 0 HG SER A 459 -11.235 11.599 -4.043 1.00 0.00 H new ATOM 569 N ALA A 460 -9.506 9.248 -7.049 1.00 0.00 N ATOM 570 CA ALA A 460 -9.129 9.427 -8.457 1.00 0.00 C ATOM 571 C ALA A 460 -9.229 8.141 -9.314 1.00 0.00 C ATOM 572 O ALA A 460 -9.200 8.216 -10.546 1.00 0.00 O ATOM 573 CB ALA A 460 -7.704 9.998 -8.490 1.00 0.00 C ATOM 0 H ALA A 460 -8.754 9.501 -6.408 1.00 0.00 H new ATOM 0 HA ALA A 460 -9.845 10.112 -8.910 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.394 10.143 -9.525 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -7.683 10.955 -7.968 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.022 9.303 -8.001 1.00 0.00 H new ATOM 579 N PHE A 461 -9.374 6.972 -8.677 1.00 0.00 N ATOM 580 CA PHE A 461 -9.418 5.649 -9.309 1.00 0.00 C ATOM 581 C PHE A 461 -10.786 4.948 -9.164 1.00 0.00 C ATOM 582 O PHE A 461 -10.948 3.805 -9.600 1.00 0.00 O ATOM 583 CB PHE A 461 -8.258 4.818 -8.735 1.00 0.00 C ATOM 584 CG PHE A 461 -6.906 5.509 -8.830 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.421 5.954 -10.076 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.161 5.768 -7.665 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.200 6.644 -10.155 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.938 6.462 -7.744 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.454 6.895 -8.990 1.00 0.00 C ATOM 0 H PHE A 461 -9.468 6.921 -7.663 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.296 5.760 -10.386 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.468 4.591 -7.690 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.208 3.866 -9.264 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.990 5.764 -10.974 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.528 5.433 -6.706 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.833 6.982 -11.113 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.372 6.661 -6.846 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.512 7.419 -9.053 1.00 0.00 H new ATOM 599 N GLY A 462 -11.788 5.633 -8.597 1.00 0.00 N ATOM 600 CA GLY A 462 -13.155 5.125 -8.437 1.00 0.00 C ATOM 601 C GLY A 462 -13.256 4.036 -7.364 1.00 0.00 C ATOM 602 O GLY A 462 -12.911 4.265 -6.202 1.00 0.00 O ATOM 0 H GLY A 462 -11.667 6.577 -8.229 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.817 5.950 -8.176 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.504 4.726 -9.389 1.00 0.00 H new ATOM 606 N ASN A 463 -13.746 2.853 -7.746 1.00 0.00 N ATOM 607 CA ASN A 463 -13.791 1.662 -6.895 1.00 0.00 C ATOM 608 C ASN A 463 -12.377 1.220 -6.447 1.00 0.00 C ATOM 609 O ASN A 463 -11.487 1.017 -7.279 1.00 0.00 O ATOM 610 CB ASN A 463 -14.523 0.555 -7.675 1.00 0.00 C ATOM 611 CG ASN A 463 -14.495 -0.782 -6.952 1.00 0.00 C ATOM 612 OD1 ASN A 463 -15.163 -0.983 -5.945 1.00 0.00 O ATOM 613 ND2 ASN A 463 -13.716 -1.728 -7.426 1.00 0.00 N ATOM 0 H ASN A 463 -14.131 2.694 -8.677 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.332 1.883 -5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -15.558 0.854 -7.839 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -14.064 0.443 -8.657 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -13.667 -2.632 -6.955 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -13.161 -1.559 -8.265 1.00 0.00 H new ATOM 620 N ILE A 464 -12.195 1.026 -5.136 1.00 0.00 N ATOM 621 CA ILE A 464 -10.949 0.562 -4.497 1.00 0.00 C ATOM 622 C ILE A 464 -11.254 -0.382 -3.321 1.00 0.00 C ATOM 623 O ILE A 464 -12.389 -0.445 -2.839 1.00 0.00 O ATOM 624 CB ILE A 464 -10.071 1.751 -4.019 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.713 2.527 -2.842 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.708 2.686 -5.186 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.830 3.653 -2.299 1.00 0.00 C ATOM 0 H ILE A 464 -12.940 1.194 -4.460 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.386 0.012 -5.251 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.144 1.323 -3.637 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.664 2.948 -3.170 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -10.935 1.829 -2.035 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -9.093 3.507 -4.817 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.153 2.128 -5.940 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.620 3.086 -5.629 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -10.342 4.153 -1.477 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.889 3.236 -1.940 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -9.629 4.373 -3.093 1.00 0.00 H new ATOM 639 N GLN A 465 -10.229 -1.074 -2.818 1.00 0.00 N ATOM 640 CA GLN A 465 -10.303 -1.972 -1.659 1.00 0.00 C ATOM 641 C GLN A 465 -9.075 -1.782 -0.749 1.00 0.00 C ATOM 642 O GLN A 465 -7.985 -2.287 -1.024 1.00 0.00 O ATOM 643 CB GLN A 465 -10.471 -3.427 -2.145 1.00 0.00 C ATOM 644 CG GLN A 465 -11.943 -3.791 -2.404 1.00 0.00 C ATOM 645 CD GLN A 465 -12.133 -5.251 -2.821 1.00 0.00 C ATOM 646 OE1 GLN A 465 -11.327 -5.851 -3.524 1.00 0.00 O ATOM 647 NE2 GLN A 465 -13.208 -5.891 -2.405 1.00 0.00 N ATOM 0 H GLN A 465 -9.292 -1.024 -3.219 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.175 -1.727 -1.053 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -9.897 -3.570 -3.061 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -10.057 -4.106 -1.400 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -12.523 -3.598 -1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -12.340 -3.141 -3.184 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -13.892 -5.412 -1.819 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -13.356 -6.865 -2.669 1.00 0.00 H new ATOM 656 N ILE A 466 -9.255 -1.014 0.332 1.00 0.00 N ATOM 657 CA ILE A 466 -8.242 -0.740 1.370 1.00 0.00 C ATOM 658 C ILE A 466 -8.162 -1.934 2.345 1.00 0.00 C ATOM 659 O ILE A 466 -9.189 -2.529 2.687 1.00 0.00 O ATOM 660 CB ILE A 466 -8.612 0.569 2.124 1.00 0.00 C ATOM 661 CG1 ILE A 466 -8.688 1.790 1.170 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.606 0.870 3.257 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.473 2.973 1.754 1.00 0.00 C ATOM 0 H ILE A 466 -10.142 -0.547 0.519 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.264 -0.608 0.907 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.600 0.404 2.555 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -7.676 2.118 0.930 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.153 1.482 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -7.894 1.791 3.764 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.606 0.047 3.972 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.607 0.984 2.836 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.486 3.792 1.034 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.495 2.661 1.968 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.996 3.307 2.675 1.00 0.00 H new ATOM 675 N SER A 467 -6.960 -2.267 2.826 1.00 0.00 N ATOM 676 CA SER A 467 -6.714 -3.319 3.826 1.00 0.00 C ATOM 677 C SER A 467 -5.627 -2.900 4.823 1.00 0.00 C ATOM 678 O SER A 467 -4.461 -2.753 4.454 1.00 0.00 O ATOM 679 CB SER A 467 -6.305 -4.619 3.126 1.00 0.00 C ATOM 680 OG SER A 467 -6.416 -5.712 4.025 1.00 0.00 O ATOM 0 H SER A 467 -6.105 -1.801 2.524 1.00 0.00 H new ATOM 0 HA SER A 467 -7.638 -3.478 4.381 1.00 0.00 H new ATOM 0 HB2 SER A 467 -6.939 -4.788 2.256 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.280 -4.539 2.763 1.00 0.00 H new ATOM 0 HG SER A 467 -6.154 -6.539 3.569 1.00 0.00 H new ATOM 686 N TRP A 468 -5.993 -2.670 6.086 1.00 0.00 N ATOM 687 CA TRP A 468 -5.052 -2.273 7.143 1.00 0.00 C ATOM 688 C TRP A 468 -3.966 -3.325 7.436 1.00 0.00 C ATOM 689 O TRP A 468 -4.173 -4.529 7.252 1.00 0.00 O ATOM 690 CB TRP A 468 -5.833 -1.945 8.420 1.00 0.00 C ATOM 691 CG TRP A 468 -6.574 -0.646 8.363 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.908 -0.481 8.234 1.00 0.00 C ATOM 693 CD2 TRP A 468 -6.018 0.697 8.470 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.203 0.871 8.172 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.070 1.643 8.312 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.727 1.204 8.707 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -6.842 3.026 8.327 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -4.495 2.588 8.780 1.00 0.00 C ATOM 699 CH2 TRP A 468 -5.540 3.503 8.553 1.00 0.00 C ATOM 0 H TRP A 468 -6.957 -2.754 6.409 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.522 -1.392 6.780 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -6.543 -2.748 8.616 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -5.140 -1.920 9.261 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.633 -1.280 8.186 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.141 1.248 8.039 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -3.902 0.519 8.835 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -7.657 3.716 8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -3.505 2.953 9.012 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -5.342 4.565 8.553 1.00 0.00 H new ATOM 710 N ILE A 469 -2.820 -2.860 7.949 1.00 0.00 N ATOM 711 CA ILE A 469 -1.660 -3.693 8.321 1.00 0.00 C ATOM 712 C ILE A 469 -1.153 -3.300 9.721 1.00 0.00 C ATOM 713 O ILE A 469 -0.922 -4.165 10.569 1.00 0.00 O ATOM 714 CB ILE A 469 -0.506 -3.562 7.292 1.00 0.00 C ATOM 715 CG1 ILE A 469 -0.945 -3.556 5.811 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.480 -4.729 7.482 1.00 0.00 C ATOM 717 CD1 ILE A 469 0.146 -3.009 4.882 1.00 0.00 C ATOM 0 H ILE A 469 -2.666 -1.867 8.123 1.00 0.00 H new ATOM 0 HA ILE A 469 -1.990 -4.732 8.328 1.00 0.00 H new ATOM 0 HB ILE A 469 -0.057 -2.589 7.492 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -1.203 -4.570 5.507 1.00 0.00 H new ATOM 0 HG13 ILE A 469 -1.846 -2.952 5.704 1.00 0.00 H new ATOM 0 HG21 ILE A 469 1.292 -4.640 6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.887 -4.700 8.493 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -0.041 -5.674 7.328 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.211 -3.025 3.852 1.00 0.00 H new ATOM 0 HD12 ILE A 469 0.386 -1.985 5.166 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.039 -3.628 4.966 1.00 0.00 H new ATOM 729 N ASP A 470 -1.051 -1.995 9.987 1.00 0.00 N ATOM 730 CA ASP A 470 -0.778 -1.393 11.299 1.00 0.00 C ATOM 731 C ASP A 470 -1.384 0.023 11.349 1.00 0.00 C ATOM 732 O ASP A 470 -1.918 0.516 10.355 1.00 0.00 O ATOM 733 CB ASP A 470 0.744 -1.359 11.542 1.00 0.00 C ATOM 734 CG ASP A 470 1.171 -1.096 13.000 1.00 0.00 C ATOM 735 OD1 ASP A 470 0.329 -1.194 13.924 1.00 0.00 O ATOM 736 OD2 ASP A 470 2.376 -0.831 13.228 1.00 0.00 O ATOM 0 H ASP A 470 -1.162 -1.292 9.257 1.00 0.00 H new ATOM 0 HA ASP A 470 -1.236 -1.989 12.088 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.168 -2.311 11.222 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.180 -0.587 10.908 1.00 0.00 H new ATOM 741 N ASP A 471 -1.286 0.713 12.482 1.00 0.00 N ATOM 742 CA ASP A 471 -1.918 2.029 12.696 1.00 0.00 C ATOM 743 C ASP A 471 -1.345 3.188 11.846 1.00 0.00 C ATOM 744 O ASP A 471 -1.807 4.327 11.946 1.00 0.00 O ATOM 745 CB ASP A 471 -1.977 2.363 14.194 1.00 0.00 C ATOM 746 CG ASP A 471 -0.730 3.038 14.780 1.00 0.00 C ATOM 747 OD1 ASP A 471 0.376 2.450 14.725 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.880 4.138 15.365 1.00 0.00 O ATOM 0 H ASP A 471 -0.762 0.378 13.291 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.936 1.929 12.320 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -2.834 3.014 14.368 1.00 0.00 H new ATOM 0 HB3 ASP A 471 -2.160 1.441 14.745 1.00 0.00 H new ATOM 753 N THR A 472 -0.362 2.897 10.991 1.00 0.00 N ATOM 754 CA THR A 472 0.393 3.839 10.145 1.00 0.00 C ATOM 755 C THR A 472 0.633 3.314 8.718 1.00 0.00 C ATOM 756 O THR A 472 1.333 3.964 7.933 1.00 0.00 O ATOM 757 CB THR A 472 1.745 4.169 10.805 1.00 0.00 C ATOM 758 OG1 THR A 472 2.491 2.986 11.026 1.00 0.00 O ATOM 759 CG2 THR A 472 1.558 4.869 12.153 1.00 0.00 C ATOM 0 H THR A 472 -0.048 1.936 10.859 1.00 0.00 H new ATOM 0 HA THR A 472 -0.219 4.737 10.057 1.00 0.00 H new ATOM 0 HB THR A 472 2.276 4.833 10.123 1.00 0.00 H new ATOM 0 HG1 THR A 472 3.348 3.213 11.444 1.00 0.00 H new ATOM 0 HG21 THR A 472 2.533 5.086 12.589 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.011 5.800 12.007 1.00 0.00 H new ATOM 0 HG23 THR A 472 0.997 4.220 12.825 1.00 0.00 H new ATOM 767 N SER A 473 0.067 2.153 8.350 1.00 0.00 N ATOM 768 CA SER A 473 0.218 1.568 7.008 1.00 0.00 C ATOM 769 C SER A 473 -0.934 0.642 6.586 1.00 0.00 C ATOM 770 O SER A 473 -1.567 -0.035 7.404 1.00 0.00 O ATOM 771 CB SER A 473 1.555 0.820 6.890 1.00 0.00 C ATOM 772 OG SER A 473 1.637 -0.261 7.807 1.00 0.00 O ATOM 0 H SER A 473 -0.510 1.592 8.977 1.00 0.00 H new ATOM 0 HA SER A 473 0.196 2.415 6.322 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.673 0.444 5.874 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.377 1.513 7.071 1.00 0.00 H new ATOM 0 HG SER A 473 2.500 -0.714 7.702 1.00 0.00 H new ATOM 778 N ALA A 474 -1.194 0.605 5.277 1.00 0.00 N ATOM 779 CA ALA A 474 -2.285 -0.149 4.656 1.00 0.00 C ATOM 780 C ALA A 474 -1.942 -0.576 3.214 1.00 0.00 C ATOM 781 O ALA A 474 -1.175 0.101 2.524 1.00 0.00 O ATOM 782 CB ALA A 474 -3.544 0.731 4.663 1.00 0.00 C ATOM 0 H ALA A 474 -0.631 1.117 4.597 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.452 -1.063 5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.370 0.188 4.204 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.804 0.986 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.353 1.644 4.099 1.00 0.00 H new ATOM 788 N PHE A 475 -2.526 -1.679 2.738 1.00 0.00 N ATOM 789 CA PHE A 475 -2.521 -2.048 1.322 1.00 0.00 C ATOM 790 C PHE A 475 -3.750 -1.418 0.649 1.00 0.00 C ATOM 791 O PHE A 475 -4.775 -1.203 1.303 1.00 0.00 O ATOM 792 CB PHE A 475 -2.567 -3.573 1.129 1.00 0.00 C ATOM 793 CG PHE A 475 -1.371 -4.355 1.641 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.151 -4.302 0.939 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.483 -5.181 2.779 1.00 0.00 C ATOM 796 CE1 PHE A 475 0.948 -5.066 1.368 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.387 -5.956 3.197 1.00 0.00 C ATOM 798 CZ PHE A 475 0.827 -5.897 2.493 1.00 0.00 C ATOM 0 H PHE A 475 -3.020 -2.346 3.331 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.597 -1.683 0.874 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.461 -3.953 1.624 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.680 -3.779 0.065 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.060 -3.671 0.067 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.411 -5.218 3.330 1.00 0.00 H new ATOM 0 HE1 PHE A 475 1.885 -5.014 0.833 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.479 -6.598 4.061 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.668 -6.492 2.817 1.00 0.00 H new ATOM 808 N VAL A 476 -3.682 -1.167 -0.659 1.00 0.00 N ATOM 809 CA VAL A 476 -4.818 -0.663 -1.452 1.00 0.00 C ATOM 810 C VAL A 476 -4.859 -1.359 -2.810 1.00 0.00 C ATOM 811 O VAL A 476 -4.004 -1.141 -3.669 1.00 0.00 O ATOM 812 CB VAL A 476 -4.795 0.875 -1.613 1.00 0.00 C ATOM 813 CG1 VAL A 476 -6.055 1.364 -2.342 1.00 0.00 C ATOM 814 CG2 VAL A 476 -4.753 1.596 -0.259 1.00 0.00 C ATOM 0 H VAL A 476 -2.833 -1.307 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.730 -0.899 -0.904 1.00 0.00 H new ATOM 0 HB VAL A 476 -3.895 1.105 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -6.018 2.449 -2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -6.104 0.908 -3.331 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -6.939 1.084 -1.769 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.738 2.674 -0.421 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.635 1.329 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -3.856 1.298 0.284 1.00 0.00 H new ATOM 824 N SER A 477 -5.859 -2.214 -2.997 1.00 0.00 N ATOM 825 CA SER A 477 -6.212 -2.804 -4.292 1.00 0.00 C ATOM 826 C SER A 477 -6.972 -1.774 -5.134 1.00 0.00 C ATOM 827 O SER A 477 -7.922 -1.152 -4.648 1.00 0.00 O ATOM 828 CB SER A 477 -7.106 -4.028 -4.063 1.00 0.00 C ATOM 829 OG SER A 477 -6.354 -5.127 -3.580 1.00 0.00 O ATOM 0 H SER A 477 -6.463 -2.526 -2.237 1.00 0.00 H new ATOM 0 HA SER A 477 -5.304 -3.103 -4.815 1.00 0.00 H new ATOM 0 HB2 SER A 477 -7.892 -3.780 -3.349 1.00 0.00 H new ATOM 0 HB3 SER A 477 -7.598 -4.302 -4.996 1.00 0.00 H new ATOM 0 HG SER A 477 -6.948 -5.894 -3.441 1.00 0.00 H new ATOM 835 N LEU A 478 -6.585 -1.617 -6.403 1.00 0.00 N ATOM 836 CA LEU A 478 -7.236 -0.731 -7.380 1.00 0.00 C ATOM 837 C LEU A 478 -7.916 -1.557 -8.489 1.00 0.00 C ATOM 838 O LEU A 478 -7.573 -2.722 -8.712 1.00 0.00 O ATOM 839 CB LEU A 478 -6.197 0.252 -7.960 1.00 0.00 C ATOM 840 CG LEU A 478 -5.478 1.152 -6.932 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.536 2.107 -7.661 1.00 0.00 C ATOM 842 CD2 LEU A 478 -6.440 2.012 -6.113 1.00 0.00 C ATOM 0 H LEU A 478 -5.786 -2.117 -6.793 1.00 0.00 H new ATOM 0 HA LEU A 478 -8.014 -0.152 -6.882 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.445 -0.321 -8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.696 0.891 -8.688 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.947 0.480 -6.258 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -4.029 2.742 -6.935 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.797 1.533 -8.220 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -5.109 2.729 -8.349 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.874 2.622 -5.409 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -7.006 2.661 -6.781 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -7.127 1.368 -5.564 1.00 0.00 H new ATOM 854 N SER A 479 -8.892 -0.971 -9.187 1.00 0.00 N ATOM 855 CA SER A 479 -9.710 -1.683 -10.186 1.00 0.00 C ATOM 856 C SER A 479 -8.949 -2.113 -11.451 1.00 0.00 C ATOM 857 O SER A 479 -9.390 -3.044 -12.130 1.00 0.00 O ATOM 858 CB SER A 479 -10.925 -0.842 -10.592 1.00 0.00 C ATOM 859 OG SER A 479 -11.829 -0.737 -9.503 1.00 0.00 O ATOM 0 H SER A 479 -9.142 0.012 -9.079 1.00 0.00 H new ATOM 0 HA SER A 479 -10.023 -2.600 -9.686 1.00 0.00 H new ATOM 0 HB2 SER A 479 -10.602 0.151 -10.904 1.00 0.00 H new ATOM 0 HB3 SER A 479 -11.424 -1.298 -11.447 1.00 0.00 H new ATOM 0 HG SER A 479 -11.497 -0.071 -8.865 1.00 0.00 H new ATOM 865 N GLN A 480 -7.813 -1.481 -11.770 1.00 0.00 N ATOM 866 CA GLN A 480 -6.953 -1.821 -12.916 1.00 0.00 C ATOM 867 C GLN A 480 -5.455 -1.651 -12.578 1.00 0.00 C ATOM 868 O GLN A 480 -5.102 -0.760 -11.800 1.00 0.00 O ATOM 869 CB GLN A 480 -7.298 -0.918 -14.120 1.00 0.00 C ATOM 870 CG GLN A 480 -8.720 -1.112 -14.677 1.00 0.00 C ATOM 871 CD GLN A 480 -9.019 -0.244 -15.903 1.00 0.00 C ATOM 872 OE1 GLN A 480 -8.148 0.339 -16.540 1.00 0.00 O ATOM 873 NE2 GLN A 480 -10.274 -0.115 -16.283 1.00 0.00 N ATOM 0 H GLN A 480 -7.455 -0.697 -11.225 1.00 0.00 H new ATOM 0 HA GLN A 480 -7.136 -2.867 -13.161 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -7.177 0.124 -13.823 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -6.580 -1.108 -14.918 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -8.858 -2.160 -14.941 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -9.443 -0.883 -13.894 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -11.014 -0.591 -15.768 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -10.505 0.461 -17.093 1.00 0.00 H new ATOM 882 N PRO A 481 -4.544 -2.426 -13.206 1.00 0.00 N ATOM 883 CA PRO A 481 -3.095 -2.274 -13.032 1.00 0.00 C ATOM 884 C PRO A 481 -2.527 -0.986 -13.657 1.00 0.00 C ATOM 885 O PRO A 481 -1.430 -0.558 -13.301 1.00 0.00 O ATOM 886 CB PRO A 481 -2.483 -3.528 -13.662 1.00 0.00 C ATOM 887 CG PRO A 481 -3.490 -3.918 -14.742 1.00 0.00 C ATOM 888 CD PRO A 481 -4.827 -3.533 -14.114 1.00 0.00 C ATOM 0 HA PRO A 481 -2.848 -2.176 -11.975 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -1.500 -3.324 -14.086 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -2.355 -4.323 -12.928 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -3.312 -3.381 -15.674 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -3.443 -4.982 -14.973 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -5.545 -3.236 -14.878 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.262 -4.376 -13.577 1.00 0.00 H new ATOM 896 N GLU A 482 -3.268 -0.324 -14.551 1.00 0.00 N ATOM 897 CA GLU A 482 -2.923 1.010 -15.075 1.00 0.00 C ATOM 898 C GLU A 482 -2.972 2.095 -13.981 1.00 0.00 C ATOM 899 O GLU A 482 -2.134 2.998 -13.953 1.00 0.00 O ATOM 900 CB GLU A 482 -3.893 1.388 -16.209 1.00 0.00 C ATOM 901 CG GLU A 482 -3.786 0.497 -17.456 1.00 0.00 C ATOM 902 CD GLU A 482 -2.442 0.684 -18.188 1.00 0.00 C ATOM 903 OE1 GLU A 482 -2.314 1.639 -18.996 1.00 0.00 O ATOM 904 OE2 GLU A 482 -1.505 -0.121 -17.970 1.00 0.00 O ATOM 0 H GLU A 482 -4.134 -0.699 -14.938 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.901 0.959 -15.450 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.914 1.340 -15.829 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.709 2.422 -16.499 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -3.898 -0.548 -17.165 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -4.605 0.728 -18.137 1.00 0.00 H new ATOM 911 N GLN A 483 -3.925 1.989 -13.049 1.00 0.00 N ATOM 912 CA GLN A 483 -4.132 2.952 -11.958 1.00 0.00 C ATOM 913 C GLN A 483 -2.992 2.908 -10.923 1.00 0.00 C ATOM 914 O GLN A 483 -2.602 3.940 -10.373 1.00 0.00 O ATOM 915 CB GLN A 483 -5.488 2.665 -11.291 1.00 0.00 C ATOM 916 CG GLN A 483 -6.676 2.823 -12.261 1.00 0.00 C ATOM 917 CD GLN A 483 -8.011 2.442 -11.623 1.00 0.00 C ATOM 918 OE1 GLN A 483 -8.135 1.472 -10.887 1.00 0.00 O ATOM 919 NE2 GLN A 483 -9.067 3.186 -11.877 1.00 0.00 N ATOM 0 H GLN A 483 -4.589 1.215 -13.030 1.00 0.00 H new ATOM 0 HA GLN A 483 -4.131 3.958 -12.378 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.484 1.651 -10.891 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.622 3.340 -10.446 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.724 3.856 -12.605 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.507 2.201 -13.140 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.983 3.998 -12.488 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.969 2.950 -11.463 1.00 0.00 H new ATOM 928 N VAL A 484 -2.395 1.726 -10.720 1.00 0.00 N ATOM 929 CA VAL A 484 -1.174 1.526 -9.915 1.00 0.00 C ATOM 930 C VAL A 484 -0.015 2.382 -10.433 1.00 0.00 C ATOM 931 O VAL A 484 0.684 3.013 -9.639 1.00 0.00 O ATOM 932 CB VAL A 484 -0.803 0.026 -9.892 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.609 -0.291 -9.385 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.810 -0.741 -9.029 1.00 0.00 C ATOM 0 H VAL A 484 -2.754 0.859 -11.119 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.374 1.851 -8.894 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.831 -0.287 -10.936 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.770 -1.369 -9.408 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.344 0.200 -10.024 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.718 0.070 -8.362 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.546 -1.798 -9.015 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.791 -0.348 -8.012 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.810 -0.623 -9.445 1.00 0.00 H new ATOM 944 N GLN A 485 0.165 2.468 -11.757 1.00 0.00 N ATOM 945 CA GLN A 485 1.250 3.255 -12.363 1.00 0.00 C ATOM 946 C GLN A 485 1.092 4.757 -12.075 1.00 0.00 C ATOM 947 O GLN A 485 2.073 5.444 -11.778 1.00 0.00 O ATOM 948 CB GLN A 485 1.335 3.019 -13.884 1.00 0.00 C ATOM 949 CG GLN A 485 1.187 1.558 -14.348 1.00 0.00 C ATOM 950 CD GLN A 485 2.051 0.562 -13.575 1.00 0.00 C ATOM 951 OE1 GLN A 485 3.258 0.713 -13.431 1.00 0.00 O ATOM 952 NE2 GLN A 485 1.465 -0.491 -13.044 1.00 0.00 N ATOM 0 H GLN A 485 -0.433 1.997 -12.436 1.00 0.00 H new ATOM 0 HA GLN A 485 2.178 2.914 -11.905 1.00 0.00 H new ATOM 0 HB2 GLN A 485 0.560 3.614 -14.368 1.00 0.00 H new ATOM 0 HB3 GLN A 485 2.294 3.397 -14.238 1.00 0.00 H new ATOM 0 HG2 GLN A 485 0.142 1.263 -14.254 1.00 0.00 H new ATOM 0 HG3 GLN A 485 1.442 1.498 -15.406 1.00 0.00 H new ATOM 0 HE21 GLN A 485 0.460 -0.627 -13.157 1.00 0.00 H new ATOM 0 HE22 GLN A 485 2.016 -1.171 -12.519 1.00 0.00 H new ATOM 961 N ILE A 486 -0.148 5.260 -12.110 1.00 0.00 N ATOM 962 CA ILE A 486 -0.482 6.660 -11.804 1.00 0.00 C ATOM 963 C ILE A 486 -0.179 6.976 -10.332 1.00 0.00 C ATOM 964 O ILE A 486 0.508 7.955 -10.053 1.00 0.00 O ATOM 965 CB ILE A 486 -1.957 6.969 -12.168 1.00 0.00 C ATOM 966 CG1 ILE A 486 -2.228 6.697 -13.669 1.00 0.00 C ATOM 967 CG2 ILE A 486 -2.302 8.434 -11.827 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.705 6.790 -14.075 1.00 0.00 C ATOM 0 H ILE A 486 -0.963 4.697 -12.356 1.00 0.00 H new ATOM 0 HA ILE A 486 0.144 7.309 -12.417 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.593 6.309 -11.578 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.655 7.409 -14.264 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.858 5.703 -13.918 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -3.341 8.634 -12.089 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -2.158 8.603 -10.760 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.651 9.102 -12.391 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.803 6.586 -15.141 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -4.284 6.059 -13.511 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -4.079 7.792 -13.862 1.00 0.00 H new ATOM 980 N ALA A 487 -0.616 6.137 -9.389 1.00 0.00 N ATOM 981 CA ALA A 487 -0.355 6.336 -7.958 1.00 0.00 C ATOM 982 C ALA A 487 1.145 6.276 -7.592 1.00 0.00 C ATOM 983 O ALA A 487 1.619 7.044 -6.750 1.00 0.00 O ATOM 984 CB ALA A 487 -1.142 5.272 -7.190 1.00 0.00 C ATOM 0 H ALA A 487 -1.161 5.300 -9.595 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.677 7.341 -7.685 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -0.969 5.393 -6.121 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.206 5.384 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.813 4.281 -7.501 1.00 0.00 H new ATOM 990 N VAL A 488 1.918 5.396 -8.241 1.00 0.00 N ATOM 991 CA VAL A 488 3.386 5.361 -8.110 1.00 0.00 C ATOM 992 C VAL A 488 4.024 6.648 -8.659 1.00 0.00 C ATOM 993 O VAL A 488 4.929 7.197 -8.025 1.00 0.00 O ATOM 994 CB VAL A 488 3.960 4.093 -8.779 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.489 4.103 -8.898 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.582 2.850 -7.961 1.00 0.00 C ATOM 0 H VAL A 488 1.546 4.687 -8.873 1.00 0.00 H new ATOM 0 HA VAL A 488 3.638 5.313 -7.051 1.00 0.00 H new ATOM 0 HB VAL A 488 3.532 4.073 -9.781 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.823 3.182 -9.377 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.802 4.958 -9.497 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.931 4.176 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 488 3.991 1.961 -8.440 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.990 2.939 -6.954 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.497 2.766 -7.907 1.00 0.00 H new ATOM 1006 N ASN A 489 3.531 7.183 -9.783 1.00 0.00 N ATOM 1007 CA ASN A 489 3.994 8.459 -10.342 1.00 0.00 C ATOM 1008 C ASN A 489 3.712 9.652 -9.407 1.00 0.00 C ATOM 1009 O ASN A 489 4.600 10.466 -9.157 1.00 0.00 O ATOM 1010 CB ASN A 489 3.342 8.684 -11.719 1.00 0.00 C ATOM 1011 CG ASN A 489 3.895 9.911 -12.428 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.085 10.028 -12.686 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.062 10.873 -12.754 1.00 0.00 N ATOM 0 H ASN A 489 2.795 6.740 -10.333 1.00 0.00 H new ATOM 0 HA ASN A 489 5.077 8.399 -10.451 1.00 0.00 H new ATOM 0 HB2 ASN A 489 3.503 7.804 -12.342 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.265 8.794 -11.594 1.00 0.00 H new ATOM 0 HD21 ASN A 489 3.409 11.712 -13.220 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.069 10.781 -12.542 1.00 0.00 H new ATOM 1020 N THR A 490 2.491 9.761 -8.879 1.00 0.00 N ATOM 1021 CA THR A 490 2.052 10.899 -8.049 1.00 0.00 C ATOM 1022 C THR A 490 2.726 10.945 -6.673 1.00 0.00 C ATOM 1023 O THR A 490 2.981 12.033 -6.150 1.00 0.00 O ATOM 1024 CB THR A 490 0.523 10.911 -7.891 1.00 0.00 C ATOM 1025 OG1 THR A 490 0.042 9.682 -7.405 1.00 0.00 O ATOM 1026 CG2 THR A 490 -0.162 11.207 -9.229 1.00 0.00 C ATOM 0 H THR A 490 1.766 9.056 -9.014 1.00 0.00 H new ATOM 0 HA THR A 490 2.366 11.795 -8.584 1.00 0.00 H new ATOM 0 HB THR A 490 0.289 11.696 -7.172 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.796 9.081 -7.230 1.00 0.00 H new ATOM 0 HG21 THR A 490 -1.243 11.210 -9.091 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.160 12.182 -9.595 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.109 10.440 -9.954 1.00 0.00 H new ATOM 1034 N SER A 491 3.106 9.792 -6.112 1.00 0.00 N ATOM 1035 CA SER A 491 3.834 9.695 -4.835 1.00 0.00 C ATOM 1036 C SER A 491 5.226 10.354 -4.841 1.00 0.00 C ATOM 1037 O SER A 491 5.734 10.707 -3.773 1.00 0.00 O ATOM 1038 CB SER A 491 3.935 8.228 -4.414 1.00 0.00 C ATOM 1039 OG SER A 491 4.389 8.102 -3.075 1.00 0.00 O ATOM 0 H SER A 491 2.915 8.884 -6.536 1.00 0.00 H new ATOM 0 HA SER A 491 3.253 10.263 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 491 2.960 7.751 -4.515 1.00 0.00 H new ATOM 0 HB3 SER A 491 4.618 7.703 -5.082 1.00 0.00 H new ATOM 0 HG SER A 491 5.248 7.631 -3.064 1.00 0.00 H new ATOM 1045 N LYS A 492 5.829 10.606 -6.015 1.00 0.00 N ATOM 1046 CA LYS A 492 7.074 11.398 -6.157 1.00 0.00 C ATOM 1047 C LYS A 492 6.952 12.845 -5.647 1.00 0.00 C ATOM 1048 O LYS A 492 7.972 13.496 -5.408 1.00 0.00 O ATOM 1049 CB LYS A 492 7.529 11.418 -7.626 1.00 0.00 C ATOM 1050 CG LYS A 492 7.962 10.038 -8.147 1.00 0.00 C ATOM 1051 CD LYS A 492 8.501 10.108 -9.585 1.00 0.00 C ATOM 1052 CE LYS A 492 7.398 10.514 -10.569 1.00 0.00 C ATOM 1053 NZ LYS A 492 7.871 10.534 -11.974 1.00 0.00 N ATOM 0 H LYS A 492 5.466 10.264 -6.905 1.00 0.00 H new ATOM 0 HA LYS A 492 7.814 10.901 -5.530 1.00 0.00 H new ATOM 0 HB2 LYS A 492 6.715 11.794 -8.246 1.00 0.00 H new ATOM 0 HB3 LYS A 492 8.359 12.116 -7.732 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.730 9.628 -7.492 1.00 0.00 H new ATOM 0 HG3 LYS A 492 7.114 9.354 -8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 492 9.320 10.826 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 492 8.909 9.139 -9.871 1.00 0.00 H new ATOM 0 HE2 LYS A 492 6.562 9.820 -10.480 1.00 0.00 H new ATOM 0 HE3 LYS A 492 7.022 11.501 -10.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 7.067 10.374 -12.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 8.301 11.458 -12.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.578 9.784 -12.113 1.00 0.00 H new ATOM 1067 N TYR A 493 5.725 13.337 -5.463 1.00 0.00 N ATOM 1068 CA TYR A 493 5.400 14.729 -5.124 1.00 0.00 C ATOM 1069 C TYR A 493 4.568 14.849 -3.827 1.00 0.00 C ATOM 1070 O TYR A 493 4.088 15.935 -3.490 1.00 0.00 O ATOM 1071 CB TYR A 493 4.691 15.371 -6.333 1.00 0.00 C ATOM 1072 CG TYR A 493 5.336 15.056 -7.676 1.00 0.00 C ATOM 1073 CD1 TYR A 493 6.588 15.607 -8.009 1.00 0.00 C ATOM 1074 CD2 TYR A 493 4.713 14.150 -8.560 1.00 0.00 C ATOM 1075 CE1 TYR A 493 7.224 15.245 -9.215 1.00 0.00 C ATOM 1076 CE2 TYR A 493 5.344 13.787 -9.766 1.00 0.00 C ATOM 1077 CZ TYR A 493 6.605 14.327 -10.094 1.00 0.00 C ATOM 1078 OH TYR A 493 7.224 13.949 -11.246 1.00 0.00 O ATOM 0 H TYR A 493 4.893 12.753 -5.549 1.00 0.00 H new ATOM 0 HA TYR A 493 6.324 15.268 -4.915 1.00 0.00 H new ATOM 0 HB2 TYR A 493 3.655 15.034 -6.353 1.00 0.00 H new ATOM 0 HB3 TYR A 493 4.672 16.452 -6.197 1.00 0.00 H new ATOM 0 HD1 TYR A 493 7.063 16.309 -7.339 1.00 0.00 H new ATOM 0 HD2 TYR A 493 3.748 13.733 -8.311 1.00 0.00 H new ATOM 0 HE1 TYR A 493 8.185 15.670 -9.467 1.00 0.00 H new ATOM 0 HE2 TYR A 493 4.862 13.095 -10.440 1.00 0.00 H new ATOM 0 HH TYR A 493 6.657 13.312 -11.729 1.00 0.00 H new ATOM 1088 N ALA A 494 4.392 13.741 -3.096 1.00 0.00 N ATOM 1089 CA ALA A 494 3.712 13.686 -1.803 1.00 0.00 C ATOM 1090 C ALA A 494 4.480 14.436 -0.692 1.00 0.00 C ATOM 1091 O ALA A 494 5.707 14.566 -0.734 1.00 0.00 O ATOM 1092 CB ALA A 494 3.532 12.208 -1.433 1.00 0.00 C ATOM 0 H ALA A 494 4.732 12.829 -3.402 1.00 0.00 H new ATOM 0 HA ALA A 494 2.748 14.188 -1.890 1.00 0.00 H new ATOM 0 HB1 ALA A 494 3.026 12.133 -0.470 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.934 11.712 -2.197 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.508 11.728 -1.368 1.00 0.00 H new ATOM 1098 N GLU A 495 3.753 14.880 0.340 1.00 0.00 N ATOM 1099 CA GLU A 495 4.302 15.609 1.505 1.00 0.00 C ATOM 1100 C GLU A 495 3.789 15.092 2.869 1.00 0.00 C ATOM 1101 O GLU A 495 4.337 15.467 3.910 1.00 0.00 O ATOM 1102 CB GLU A 495 4.006 17.115 1.371 1.00 0.00 C ATOM 1103 CG GLU A 495 4.693 17.767 0.162 1.00 0.00 C ATOM 1104 CD GLU A 495 4.490 19.294 0.172 1.00 0.00 C ATOM 1105 OE1 GLU A 495 3.448 19.781 -0.333 1.00 0.00 O ATOM 1106 OE2 GLU A 495 5.375 20.027 0.680 1.00 0.00 O ATOM 0 H GLU A 495 2.744 14.743 0.396 1.00 0.00 H new ATOM 0 HA GLU A 495 5.377 15.428 1.495 1.00 0.00 H new ATOM 0 HB2 GLU A 495 2.929 17.260 1.289 1.00 0.00 H new ATOM 0 HB3 GLU A 495 4.328 17.623 2.280 1.00 0.00 H new ATOM 0 HG2 GLU A 495 5.758 17.538 0.177 1.00 0.00 H new ATOM 0 HG3 GLU A 495 4.290 17.348 -0.760 1.00 0.00 H new ATOM 1113 N SER A 496 2.784 14.205 2.876 1.00 0.00 N ATOM 1114 CA SER A 496 2.112 13.687 4.088 1.00 0.00 C ATOM 1115 C SER A 496 1.855 12.169 4.049 1.00 0.00 C ATOM 1116 O SER A 496 1.184 11.631 4.931 1.00 0.00 O ATOM 1117 CB SER A 496 0.782 14.428 4.311 1.00 0.00 C ATOM 1118 OG SER A 496 0.974 15.834 4.412 1.00 0.00 O ATOM 0 H SER A 496 2.401 13.813 2.016 1.00 0.00 H new ATOM 0 HA SER A 496 2.796 13.869 4.917 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.102 14.212 3.487 1.00 0.00 H new ATOM 0 HB3 SER A 496 0.308 14.059 5.220 1.00 0.00 H new ATOM 0 HG SER A 496 0.109 16.273 4.551 1.00 0.00 H new ATOM 1124 N TYR A 497 2.365 11.472 3.029 1.00 0.00 N ATOM 1125 CA TYR A 497 2.216 10.028 2.794 1.00 0.00 C ATOM 1126 C TYR A 497 3.302 9.522 1.823 1.00 0.00 C ATOM 1127 O TYR A 497 4.029 10.319 1.222 1.00 0.00 O ATOM 1128 CB TYR A 497 0.810 9.739 2.228 1.00 0.00 C ATOM 1129 CG TYR A 497 0.541 10.358 0.866 1.00 0.00 C ATOM 1130 CD1 TYR A 497 0.043 11.673 0.765 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.827 9.629 -0.304 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.147 12.266 -0.498 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.647 10.219 -1.570 1.00 0.00 C ATOM 1134 CZ TYR A 497 0.161 11.540 -1.671 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.001 12.109 -2.897 1.00 0.00 O ATOM 0 H TYR A 497 2.924 11.922 2.304 1.00 0.00 H new ATOM 0 HA TYR A 497 2.336 9.500 3.740 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.676 8.660 2.156 1.00 0.00 H new ATOM 0 HB3 TYR A 497 0.065 10.106 2.934 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.194 12.228 1.661 1.00 0.00 H new ATOM 0 HD2 TYR A 497 1.186 8.613 -0.230 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.528 13.274 -0.570 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.881 9.660 -2.464 1.00 0.00 H new ATOM 0 HH TYR A 497 0.259 11.469 -3.592 1.00 0.00 H new ATOM 1145 N ARG A 498 3.397 8.198 1.645 1.00 0.00 N ATOM 1146 CA ARG A 498 4.208 7.506 0.621 1.00 0.00 C ATOM 1147 C ARG A 498 3.455 6.287 0.075 1.00 0.00 C ATOM 1148 O ARG A 498 2.676 5.672 0.805 1.00 0.00 O ATOM 1149 CB ARG A 498 5.566 7.044 1.194 1.00 0.00 C ATOM 1150 CG ARG A 498 6.538 8.172 1.585 1.00 0.00 C ATOM 1151 CD ARG A 498 6.419 8.597 3.057 1.00 0.00 C ATOM 1152 NE ARG A 498 7.255 9.781 3.346 1.00 0.00 N ATOM 1153 CZ ARG A 498 8.527 9.803 3.704 1.00 0.00 C ATOM 1154 NH1 ARG A 498 9.233 8.717 3.853 1.00 0.00 N ATOM 1155 NH2 ARG A 498 9.125 10.939 3.921 1.00 0.00 N ATOM 0 H ARG A 498 2.887 7.543 2.238 1.00 0.00 H new ATOM 0 HA ARG A 498 4.391 8.218 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.379 6.428 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 498 6.054 6.407 0.457 1.00 0.00 H new ATOM 0 HG2 ARG A 498 7.559 7.845 1.390 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.354 9.037 0.949 1.00 0.00 H new ATOM 0 HD2 ARG A 498 5.378 8.819 3.290 1.00 0.00 H new ATOM 0 HD3 ARG A 498 6.720 7.771 3.701 1.00 0.00 H new ATOM 0 HE ARG A 498 6.796 10.688 3.259 1.00 0.00 H new ATOM 0 HH11 ARG A 498 8.806 7.805 3.692 1.00 0.00 H new ATOM 0 HH12 ARG A 498 10.212 8.780 4.131 1.00 0.00 H new ATOM 0 HH21 ARG A 498 8.612 11.814 3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 498 10.107 10.954 4.197 1.00 0.00 H new ATOM 1169 N ILE A 499 3.723 5.920 -1.180 1.00 0.00 N ATOM 1170 CA ILE A 499 3.107 4.795 -1.909 1.00 0.00 C ATOM 1171 C ILE A 499 4.203 3.966 -2.600 1.00 0.00 C ATOM 1172 O ILE A 499 5.168 4.513 -3.141 1.00 0.00 O ATOM 1173 CB ILE A 499 2.084 5.302 -2.962 1.00 0.00 C ATOM 1174 CG1 ILE A 499 1.013 6.229 -2.343 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.404 4.129 -3.693 1.00 0.00 C ATOM 1176 CD1 ILE A 499 0.088 6.916 -3.355 1.00 0.00 C ATOM 0 H ILE A 499 4.407 6.419 -1.748 1.00 0.00 H new ATOM 0 HA ILE A 499 2.573 4.172 -1.192 1.00 0.00 H new ATOM 0 HB ILE A 499 2.653 5.886 -3.685 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.403 5.645 -1.654 1.00 0.00 H new ATOM 0 HG13 ILE A 499 1.515 6.996 -1.753 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.694 4.518 -4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.159 3.532 -4.204 1.00 0.00 H new ATOM 0 HG23 ILE A 499 0.877 3.506 -2.970 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -0.628 7.544 -2.825 1.00 0.00 H new ATOM 0 HD12 ILE A 499 0.681 7.532 -4.030 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.448 6.160 -3.930 1.00 0.00 H new ATOM 1188 N GLN A 500 4.026 2.645 -2.627 1.00 0.00 N ATOM 1189 CA GLN A 500 4.818 1.683 -3.405 1.00 0.00 C ATOM 1190 C GLN A 500 3.915 0.537 -3.904 1.00 0.00 C ATOM 1191 O GLN A 500 2.799 0.372 -3.410 1.00 0.00 O ATOM 1192 CB GLN A 500 5.999 1.182 -2.551 1.00 0.00 C ATOM 1193 CG GLN A 500 5.592 0.330 -1.335 1.00 0.00 C ATOM 1194 CD GLN A 500 6.772 -0.043 -0.438 1.00 0.00 C ATOM 1195 OE1 GLN A 500 7.922 -0.126 -0.851 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.538 -0.280 0.835 1.00 0.00 N ATOM 0 H GLN A 500 3.292 2.192 -2.082 1.00 0.00 H new ATOM 0 HA GLN A 500 5.235 2.164 -4.290 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.665 0.595 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.569 2.043 -2.201 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.856 0.877 -0.746 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.107 -0.582 -1.684 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.587 -0.216 1.199 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.307 -0.527 1.457 1.00 0.00 H new ATOM 1205 N THR A 501 4.354 -0.267 -4.876 1.00 0.00 N ATOM 1206 CA THR A 501 3.602 -1.473 -5.292 1.00 0.00 C ATOM 1207 C THR A 501 3.675 -2.590 -4.240 1.00 0.00 C ATOM 1208 O THR A 501 4.545 -2.587 -3.363 1.00 0.00 O ATOM 1209 CB THR A 501 4.077 -2.021 -6.647 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.371 -2.565 -6.535 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.104 -0.955 -7.741 1.00 0.00 C ATOM 0 H THR A 501 5.220 -0.113 -5.392 1.00 0.00 H new ATOM 0 HA THR A 501 2.566 -1.150 -5.393 1.00 0.00 H new ATOM 0 HB THR A 501 3.356 -2.788 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.657 -2.911 -7.406 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.447 -1.400 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.102 -0.550 -7.879 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.782 -0.153 -7.451 1.00 0.00 H new ATOM 1219 N TYR A 502 2.802 -3.598 -4.339 1.00 0.00 N ATOM 1220 CA TYR A 502 2.923 -4.824 -3.538 1.00 0.00 C ATOM 1221 C TYR A 502 4.261 -5.551 -3.788 1.00 0.00 C ATOM 1222 O TYR A 502 4.901 -6.025 -2.846 1.00 0.00 O ATOM 1223 CB TYR A 502 1.727 -5.737 -3.837 1.00 0.00 C ATOM 1224 CG TYR A 502 1.703 -7.010 -3.011 1.00 0.00 C ATOM 1225 CD1 TYR A 502 2.352 -8.171 -3.477 1.00 0.00 C ATOM 1226 CD2 TYR A 502 1.053 -7.023 -1.762 1.00 0.00 C ATOM 1227 CE1 TYR A 502 2.356 -9.342 -2.697 1.00 0.00 C ATOM 1228 CE2 TYR A 502 1.055 -8.193 -0.977 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.706 -9.355 -1.441 1.00 0.00 C ATOM 1230 OH TYR A 502 1.699 -10.484 -0.681 1.00 0.00 O ATOM 0 H TYR A 502 2.000 -3.590 -4.969 1.00 0.00 H new ATOM 0 HA TYR A 502 2.917 -4.553 -2.482 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.806 -5.182 -3.659 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.740 -6.002 -4.894 1.00 0.00 H new ATOM 0 HD1 TYR A 502 2.848 -8.162 -4.436 1.00 0.00 H new ATOM 0 HD2 TYR A 502 0.552 -6.135 -1.405 1.00 0.00 H new ATOM 0 HE1 TYR A 502 2.855 -10.230 -3.057 1.00 0.00 H new ATOM 0 HE2 TYR A 502 0.557 -8.200 -0.019 1.00 0.00 H new ATOM 0 HH TYR A 502 1.209 -10.315 0.151 1.00 0.00 H new ATOM 1240 N ALA A 503 4.724 -5.589 -5.043 1.00 0.00 N ATOM 1241 CA ALA A 503 6.016 -6.171 -5.414 1.00 0.00 C ATOM 1242 C ALA A 503 7.212 -5.423 -4.788 1.00 0.00 C ATOM 1243 O ALA A 503 8.180 -6.057 -4.360 1.00 0.00 O ATOM 1244 CB ALA A 503 6.115 -6.211 -6.944 1.00 0.00 C ATOM 0 H ALA A 503 4.206 -5.212 -5.837 1.00 0.00 H new ATOM 0 HA ALA A 503 6.066 -7.183 -5.013 1.00 0.00 H new ATOM 0 HB1 ALA A 503 7.073 -6.642 -7.235 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.305 -6.821 -7.345 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.037 -5.199 -7.340 1.00 0.00 H new ATOM 1250 N GLU A 504 7.144 -4.091 -4.673 1.00 0.00 N ATOM 1251 CA GLU A 504 8.116 -3.306 -3.903 1.00 0.00 C ATOM 1252 C GLU A 504 8.036 -3.612 -2.401 1.00 0.00 C ATOM 1253 O GLU A 504 9.071 -3.870 -1.785 1.00 0.00 O ATOM 1254 CB GLU A 504 7.900 -1.803 -4.115 1.00 0.00 C ATOM 1255 CG GLU A 504 8.477 -1.277 -5.428 1.00 0.00 C ATOM 1256 CD GLU A 504 8.463 0.258 -5.410 1.00 0.00 C ATOM 1257 OE1 GLU A 504 9.392 0.846 -4.804 1.00 0.00 O ATOM 1258 OE2 GLU A 504 7.518 0.874 -5.960 1.00 0.00 O ATOM 0 H GLU A 504 6.415 -3.528 -5.111 1.00 0.00 H new ATOM 0 HA GLU A 504 9.103 -3.590 -4.267 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.831 -1.592 -4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.353 -1.260 -3.286 1.00 0.00 H new ATOM 0 HG2 GLU A 504 9.495 -1.641 -5.563 1.00 0.00 H new ATOM 0 HG3 GLU A 504 7.892 -1.648 -6.270 1.00 0.00 H new ATOM 1265 N TYR A 505 6.832 -3.638 -1.813 1.00 0.00 N ATOM 1266 CA TYR A 505 6.641 -3.923 -0.385 1.00 0.00 C ATOM 1267 C TYR A 505 7.315 -5.236 0.045 1.00 0.00 C ATOM 1268 O TYR A 505 7.996 -5.259 1.067 1.00 0.00 O ATOM 1269 CB TYR A 505 5.148 -3.935 -0.025 1.00 0.00 C ATOM 1270 CG TYR A 505 4.868 -4.571 1.326 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.068 -3.835 2.510 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.514 -5.934 1.399 1.00 0.00 C ATOM 1273 CE1 TYR A 505 4.902 -4.454 3.766 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.368 -6.561 2.650 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.555 -5.821 3.838 1.00 0.00 C ATOM 1276 OH TYR A 505 4.408 -6.435 5.045 1.00 0.00 O ATOM 0 H TYR A 505 5.962 -3.462 -2.315 1.00 0.00 H new ATOM 0 HA TYR A 505 7.127 -3.119 0.167 1.00 0.00 H new ATOM 0 HB2 TYR A 505 4.772 -2.912 -0.024 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.598 -4.475 -0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 505 5.349 -2.794 2.456 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.354 -6.498 0.492 1.00 0.00 H new ATOM 0 HE1 TYR A 505 5.040 -3.883 4.672 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.113 -7.609 2.702 1.00 0.00 H new ATOM 0 HH TYR A 505 4.167 -7.375 4.907 1.00 0.00 H new