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 489 ASN : amide:sc= 0.0934 K(o=0.22,f=-0.46) USER MOD Set 1.2: A 492 LYS NZ :NH3+ -109:sc= 0.13 (180deg=0) USER MOD Set 2.1: A 479 SER OG : rot -117:sc= 0.44 USER MOD Set 2.2: A 483 GLN : amide:sc= 0.439 K(o=0.88,f=-4.8!) USER MOD Set 3.1: A 442 HIS : no HD1:sc= 0.57 K(o=1.7,f=-1.8) USER MOD Set 3.2: A 473 SER OG : rot 180:sc= 0 USER MOD Set 3.3: A 500 GLN : amide:sc= 1.1 K(o=1.7,f=-0.26) USER MOD Single : A 439 HIS : no HD1:sc= 0.0919 K(o=0.092,f=-0.92) USER MOD Single : A 444 THR OG1 : rot 180:sc= 0 USER MOD Single : A 447 LYS NZ :NH3+ 173:sc= 1.21 (180deg=1.17) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= 0.0471 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= 0.622 K(o=0.62,f=0) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 465 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 467 SER OG : rot 180:sc= 0 USER MOD Single : A 472 THR OG1 : rot -48:sc= 1.04 USER MOD Single : A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 485 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.073) USER MOD Single : A 490 THR OG1 : rot 9:sc=-0.00959 USER MOD Single : A 491 SER OG : rot 90:sc= 1.13 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= 0.572 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 -1.822 -9.686 -6.973 1.00 0.00 N ATOM 174 CA ARG A 437 -1.321 -8.436 -6.349 1.00 0.00 C ATOM 175 C ARG A 437 -0.878 -7.363 -7.357 1.00 0.00 C ATOM 176 O ARG A 437 -0.427 -6.291 -6.956 1.00 0.00 O ATOM 177 CB ARG A 437 -0.177 -8.775 -5.371 1.00 0.00 C ATOM 178 CG ARG A 437 -0.575 -9.649 -4.169 1.00 0.00 C ATOM 179 CD ARG A 437 -1.601 -8.967 -3.254 1.00 0.00 C ATOM 180 NE ARG A 437 -1.671 -9.633 -1.940 1.00 0.00 N ATOM 181 CZ ARG A 437 -2.548 -9.407 -0.980 1.00 0.00 C ATOM 182 NH1 ARG A 437 -3.586 -8.637 -1.147 1.00 0.00 N ATOM 183 NH2 ARG A 437 -2.388 -9.959 0.189 1.00 0.00 N ATOM 0 HA ARG A 437 -2.161 -7.994 -5.813 1.00 0.00 H new ATOM 0 HB2 ARG A 437 0.612 -9.285 -5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 437 0.247 -7.843 -4.997 1.00 0.00 H new ATOM 0 HG2 ARG A 437 -0.987 -10.591 -4.531 1.00 0.00 H new ATOM 0 HG3 ARG A 437 0.316 -9.892 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 437 -1.332 -7.919 -3.120 1.00 0.00 H new ATOM 0 HD3 ARG A 437 -2.583 -8.986 -3.727 1.00 0.00 H new ATOM 0 HE ARG A 437 -0.965 -10.345 -1.753 1.00 0.00 H new ATOM 0 HH11 ARG A 437 -3.744 -8.183 -2.046 1.00 0.00 H new ATOM 0 HH12 ARG A 437 -4.240 -8.489 -0.378 1.00 0.00 H new ATOM 0 HH21 ARG A 437 -1.586 -10.565 0.361 1.00 0.00 H new ATOM 0 HH22 ARG A 437 -3.065 -9.785 0.932 1.00 0.00 H new ATOM 197 N ASP A 438 -1.031 -7.611 -8.659 1.00 0.00 N ATOM 198 CA ASP A 438 -0.626 -6.701 -9.750 1.00 0.00 C ATOM 199 C ASP A 438 -1.396 -5.357 -9.778 1.00 0.00 C ATOM 200 O ASP A 438 -0.984 -4.407 -10.445 1.00 0.00 O ATOM 201 CB ASP A 438 -0.775 -7.459 -11.078 1.00 0.00 C ATOM 202 CG ASP A 438 -0.082 -6.753 -12.258 1.00 0.00 C ATOM 203 OD1 ASP A 438 1.146 -6.499 -12.179 1.00 0.00 O ATOM 204 OD2 ASP A 438 -0.746 -6.508 -13.294 1.00 0.00 O ATOM 0 H ASP A 438 -1.452 -8.475 -9.001 1.00 0.00 H new ATOM 0 HA ASP A 438 0.411 -6.412 -9.578 1.00 0.00 H new ATOM 0 HB2 ASP A 438 -0.359 -8.460 -10.967 1.00 0.00 H new ATOM 0 HB3 ASP A 438 -1.835 -7.577 -11.305 1.00 0.00 H new ATOM 209 N HIS A 439 -2.491 -5.261 -9.015 1.00 0.00 N ATOM 210 CA HIS A 439 -3.367 -4.089 -8.860 1.00 0.00 C ATOM 211 C HIS A 439 -3.356 -3.511 -7.429 1.00 0.00 C ATOM 212 O HIS A 439 -4.223 -2.704 -7.080 1.00 0.00 O ATOM 213 CB HIS A 439 -4.788 -4.502 -9.282 1.00 0.00 C ATOM 214 CG HIS A 439 -5.401 -5.523 -8.348 1.00 0.00 C ATOM 215 ND1 HIS A 439 -5.040 -6.873 -8.266 1.00 0.00 N ATOM 216 CD2 HIS A 439 -6.327 -5.257 -7.383 1.00 0.00 C ATOM 217 CE1 HIS A 439 -5.767 -7.388 -7.259 1.00 0.00 C ATOM 218 NE2 HIS A 439 -6.547 -6.440 -6.710 1.00 0.00 N ATOM 0 H HIS A 439 -2.811 -6.049 -8.452 1.00 0.00 H new ATOM 0 HA HIS A 439 -2.994 -3.287 -9.496 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -5.424 -3.618 -9.315 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.758 -4.911 -10.292 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -6.797 -4.305 -7.185 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -5.730 -8.418 -6.936 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -7.191 -6.573 -5.930 1.00 0.00 H new ATOM 226 N VAL A 440 -2.395 -3.921 -6.589 1.00 0.00 N ATOM 227 CA VAL A 440 -2.361 -3.622 -5.145 1.00 0.00 C ATOM 228 C VAL A 440 -1.173 -2.723 -4.795 1.00 0.00 C ATOM 229 O VAL A 440 -0.013 -3.041 -5.071 1.00 0.00 O ATOM 230 CB VAL A 440 -2.345 -4.916 -4.303 1.00 0.00 C ATOM 231 CG1 VAL A 440 -2.361 -4.625 -2.795 1.00 0.00 C ATOM 232 CG2 VAL A 440 -3.573 -5.785 -4.612 1.00 0.00 C ATOM 0 H VAL A 440 -1.601 -4.482 -6.898 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.274 -3.080 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 440 -1.423 -5.435 -4.567 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.349 -5.565 -2.243 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -1.483 -4.036 -2.529 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -3.262 -4.067 -2.542 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -3.539 -6.691 -4.007 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -4.481 -5.228 -4.381 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -3.572 -6.054 -5.668 1.00 0.00 H new ATOM 242 N LEU A 441 -1.481 -1.598 -4.153 1.00 0.00 N ATOM 243 CA LEU A 441 -0.520 -0.683 -3.541 1.00 0.00 C ATOM 244 C LEU A 441 -0.278 -1.016 -2.065 1.00 0.00 C ATOM 245 O LEU A 441 -1.093 -1.665 -1.406 1.00 0.00 O ATOM 246 CB LEU A 441 -1.076 0.754 -3.592 1.00 0.00 C ATOM 247 CG LEU A 441 -1.350 1.340 -4.984 1.00 0.00 C ATOM 248 CD1 LEU A 441 -1.987 2.714 -4.796 1.00 0.00 C ATOM 249 CD2 LEU A 441 -0.062 1.482 -5.790 1.00 0.00 C ATOM 0 H LEU A 441 -2.446 -1.287 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 441 0.413 -0.779 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -2.006 0.779 -3.024 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -0.372 1.409 -3.080 1.00 0.00 H new ATOM 0 HG LEU A 441 -2.012 0.671 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -2.193 3.156 -5.771 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -2.919 2.610 -4.240 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -1.304 3.359 -4.243 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -0.291 1.900 -6.771 1.00 0.00 H new ATOM 0 HD22 LEU A 441 0.625 2.145 -5.264 1.00 0.00 H new ATOM 0 HD23 LEU A 441 0.401 0.503 -5.912 1.00 0.00 H new ATOM 261 N HIS A 442 0.804 -0.457 -1.537 1.00 0.00 N ATOM 262 CA HIS A 442 1.144 -0.358 -0.122 1.00 0.00 C ATOM 263 C HIS A 442 1.319 1.135 0.185 1.00 0.00 C ATOM 264 O HIS A 442 1.934 1.871 -0.594 1.00 0.00 O ATOM 265 CB HIS A 442 2.417 -1.158 0.183 1.00 0.00 C ATOM 266 CG HIS A 442 2.904 -0.933 1.594 1.00 0.00 C ATOM 267 ND1 HIS A 442 3.884 -0.008 1.968 1.00 0.00 N ATOM 268 CD2 HIS A 442 2.374 -1.493 2.718 1.00 0.00 C ATOM 269 CE1 HIS A 442 3.917 -0.030 3.313 1.00 0.00 C ATOM 270 NE2 HIS A 442 3.031 -0.922 3.786 1.00 0.00 N ATOM 0 H HIS A 442 1.518 -0.031 -2.128 1.00 0.00 H new ATOM 0 HA HIS A 442 0.361 -0.781 0.507 1.00 0.00 H new ATOM 0 HB2 HIS A 442 2.222 -2.220 0.032 1.00 0.00 H new ATOM 0 HB3 HIS A 442 3.200 -0.874 -0.520 1.00 0.00 H new ATOM 0 HD2 HIS A 442 1.593 -2.238 2.763 1.00 0.00 H new ATOM 0 HE1 HIS A 442 4.563 0.582 3.925 1.00 0.00 H new ATOM 0 HE2 HIS A 442 2.872 -1.140 4.770 1.00 0.00 H new ATOM 278 N VAL A 443 0.743 1.590 1.295 1.00 0.00 N ATOM 279 CA VAL A 443 0.601 3.007 1.653 1.00 0.00 C ATOM 280 C VAL A 443 1.096 3.211 3.082 1.00 0.00 C ATOM 281 O VAL A 443 0.742 2.435 3.971 1.00 0.00 O ATOM 282 CB VAL A 443 -0.874 3.466 1.561 1.00 0.00 C ATOM 283 CG1 VAL A 443 -0.976 4.997 1.541 1.00 0.00 C ATOM 284 CG2 VAL A 443 -1.616 2.938 0.325 1.00 0.00 C ATOM 0 H VAL A 443 0.347 0.964 1.997 1.00 0.00 H new ATOM 0 HA VAL A 443 1.190 3.599 0.952 1.00 0.00 H new ATOM 0 HB VAL A 443 -1.347 3.048 2.450 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -2.024 5.291 1.476 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -0.541 5.403 2.455 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -0.436 5.386 0.678 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -2.643 3.304 0.333 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -1.114 3.287 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -1.619 1.848 0.340 1.00 0.00 H new ATOM 294 N THR A 444 1.863 4.276 3.310 1.00 0.00 N ATOM 295 CA THR A 444 2.463 4.625 4.610 1.00 0.00 C ATOM 296 C THR A 444 2.153 6.084 4.937 1.00 0.00 C ATOM 297 O THR A 444 2.246 6.955 4.067 1.00 0.00 O ATOM 298 CB THR A 444 3.987 4.404 4.595 1.00 0.00 C ATOM 299 OG1 THR A 444 4.317 3.145 4.047 1.00 0.00 O ATOM 300 CG2 THR A 444 4.589 4.419 6.000 1.00 0.00 C ATOM 0 H THR A 444 2.095 4.945 2.576 1.00 0.00 H new ATOM 0 HA THR A 444 2.035 3.976 5.374 1.00 0.00 H new ATOM 0 HB THR A 444 4.388 5.222 3.996 1.00 0.00 H new ATOM 0 HG1 THR A 444 5.291 3.033 4.049 1.00 0.00 H new ATOM 0 HG21 THR A 444 5.665 4.259 5.936 1.00 0.00 H new ATOM 0 HG22 THR A 444 4.392 5.383 6.470 1.00 0.00 H new ATOM 0 HG23 THR A 444 4.139 3.626 6.597 1.00 0.00 H new ATOM 308 N PHE A 445 1.758 6.363 6.179 1.00 0.00 N ATOM 309 CA PHE A 445 1.210 7.661 6.592 1.00 0.00 C ATOM 310 C PHE A 445 1.318 7.899 8.115 1.00 0.00 C ATOM 311 O PHE A 445 1.420 6.936 8.884 1.00 0.00 O ATOM 312 CB PHE A 445 -0.274 7.713 6.159 1.00 0.00 C ATOM 313 CG PHE A 445 -1.062 6.425 6.376 1.00 0.00 C ATOM 314 CD1 PHE A 445 -1.360 5.976 7.676 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.440 5.634 5.272 1.00 0.00 C ATOM 316 CE1 PHE A 445 -1.977 4.731 7.874 1.00 0.00 C ATOM 317 CE2 PHE A 445 -2.070 4.392 5.467 1.00 0.00 C ATOM 318 CZ PHE A 445 -2.328 3.934 6.770 1.00 0.00 C ATOM 0 H PHE A 445 1.809 5.686 6.940 1.00 0.00 H new ATOM 0 HA PHE A 445 1.793 8.447 6.113 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -0.767 8.517 6.705 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -0.318 7.972 5.101 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -1.112 6.593 8.527 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -1.244 5.984 4.269 1.00 0.00 H new ATOM 0 HE1 PHE A 445 -2.183 4.385 8.876 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -2.355 3.791 4.616 1.00 0.00 H new ATOM 0 HZ PHE A 445 -2.795 2.972 6.923 1.00 0.00 H new ATOM 328 N PRO A 446 1.278 9.163 8.585 1.00 0.00 N ATOM 329 CA PRO A 446 1.092 9.481 10.003 1.00 0.00 C ATOM 330 C PRO A 446 -0.201 8.847 10.540 1.00 0.00 C ATOM 331 O PRO A 446 -1.217 8.820 9.839 1.00 0.00 O ATOM 332 CB PRO A 446 1.022 11.013 10.080 1.00 0.00 C ATOM 333 CG PRO A 446 1.734 11.482 8.813 1.00 0.00 C ATOM 334 CD PRO A 446 1.410 10.383 7.804 1.00 0.00 C ATOM 0 HA PRO A 446 1.906 9.087 10.612 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -0.009 11.364 10.111 1.00 0.00 H new ATOM 0 HB3 PRO A 446 1.514 11.390 10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 446 1.368 12.454 8.482 1.00 0.00 H new ATOM 0 HG3 PRO A 446 2.808 11.582 8.968 1.00 0.00 H new ATOM 0 HD2 PRO A 446 0.489 10.605 7.265 1.00 0.00 H new ATOM 0 HD3 PRO A 446 2.201 10.289 7.060 1.00 0.00 H new ATOM 342 N LYS A 447 -0.200 8.372 11.792 1.00 0.00 N ATOM 343 CA LYS A 447 -1.349 7.666 12.402 1.00 0.00 C ATOM 344 C LYS A 447 -2.667 8.456 12.444 1.00 0.00 C ATOM 345 O LYS A 447 -3.735 7.857 12.557 1.00 0.00 O ATOM 346 CB LYS A 447 -0.972 7.137 13.794 1.00 0.00 C ATOM 347 CG LYS A 447 -0.704 8.239 14.838 1.00 0.00 C ATOM 348 CD LYS A 447 -0.301 7.639 16.191 1.00 0.00 C ATOM 349 CE LYS A 447 -1.485 6.950 16.887 1.00 0.00 C ATOM 350 NZ LYS A 447 -1.046 5.740 17.620 1.00 0.00 N ATOM 0 H LYS A 447 0.599 8.464 12.419 1.00 0.00 H new ATOM 0 HA LYS A 447 -1.561 6.834 11.731 1.00 0.00 H new ATOM 0 HB2 LYS A 447 -1.776 6.496 14.157 1.00 0.00 H new ATOM 0 HB3 LYS A 447 -0.083 6.513 13.705 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.087 8.898 14.480 1.00 0.00 H new ATOM 0 HG3 LYS A 447 -1.597 8.851 14.961 1.00 0.00 H new ATOM 0 HD2 LYS A 447 0.503 6.918 16.043 1.00 0.00 H new ATOM 0 HD3 LYS A 447 0.091 8.426 16.835 1.00 0.00 H new ATOM 0 HE2 LYS A 447 -1.958 7.646 17.580 1.00 0.00 H new ATOM 0 HE3 LYS A 447 -2.237 6.677 16.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 -1.841 5.363 18.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 -0.726 5.020 16.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 -0.263 5.986 18.259 1.00 0.00 H new ATOM 364 N GLU A 448 -2.600 9.782 12.319 1.00 0.00 N ATOM 365 CA GLU A 448 -3.759 10.684 12.221 1.00 0.00 C ATOM 366 C GLU A 448 -4.654 10.423 10.990 1.00 0.00 C ATOM 367 O GLU A 448 -5.830 10.797 11.002 1.00 0.00 O ATOM 368 CB GLU A 448 -3.270 12.144 12.196 1.00 0.00 C ATOM 369 CG GLU A 448 -2.515 12.585 13.461 1.00 0.00 C ATOM 370 CD GLU A 448 -3.422 12.589 14.708 1.00 0.00 C ATOM 371 OE1 GLU A 448 -4.177 13.571 14.912 1.00 0.00 O ATOM 372 OE2 GLU A 448 -3.381 11.615 15.500 1.00 0.00 O ATOM 0 H GLU A 448 -1.710 10.279 12.281 1.00 0.00 H new ATOM 0 HA GLU A 448 -4.376 10.489 13.098 1.00 0.00 H new ATOM 0 HB2 GLU A 448 -2.618 12.281 11.333 1.00 0.00 H new ATOM 0 HB3 GLU A 448 -4.129 12.799 12.054 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -1.671 11.917 13.630 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -2.105 13.584 13.308 1.00 0.00 H new ATOM 379 N TRP A 449 -4.133 9.774 9.939 1.00 0.00 N ATOM 380 CA TRP A 449 -4.921 9.325 8.783 1.00 0.00 C ATOM 381 C TRP A 449 -5.969 8.264 9.160 1.00 0.00 C ATOM 382 O TRP A 449 -5.768 7.454 10.073 1.00 0.00 O ATOM 383 CB TRP A 449 -3.989 8.768 7.696 1.00 0.00 C ATOM 384 CG TRP A 449 -3.316 9.791 6.830 1.00 0.00 C ATOM 385 CD1 TRP A 449 -2.348 10.654 7.219 1.00 0.00 C ATOM 386 CD2 TRP A 449 -3.544 10.064 5.412 1.00 0.00 C ATOM 387 NE1 TRP A 449 -1.948 11.419 6.141 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.667 11.115 5.006 1.00 0.00 C ATOM 389 CE3 TRP A 449 -4.404 9.530 4.427 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -2.654 11.622 3.699 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -4.401 10.033 3.112 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.532 11.077 2.745 1.00 0.00 C ATOM 0 H TRP A 449 -3.142 9.544 9.867 1.00 0.00 H new ATOM 0 HA TRP A 449 -5.459 10.195 8.405 1.00 0.00 H new ATOM 0 HB2 TRP A 449 -3.220 8.164 8.177 1.00 0.00 H new ATOM 0 HB3 TRP A 449 -4.566 8.100 7.056 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -1.949 10.732 8.220 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -1.211 12.123 6.180 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -5.074 8.724 4.686 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -1.979 12.420 3.428 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -5.072 9.613 2.378 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.539 11.458 1.735 1.00 0.00 H new ATOM 403 N LYS A 450 -7.071 8.234 8.400 1.00 0.00 N ATOM 404 CA LYS A 450 -8.202 7.301 8.549 1.00 0.00 C ATOM 405 C LYS A 450 -8.673 6.765 7.192 1.00 0.00 C ATOM 406 O LYS A 450 -8.326 7.314 6.146 1.00 0.00 O ATOM 407 CB LYS A 450 -9.354 7.979 9.304 1.00 0.00 C ATOM 408 CG LYS A 450 -8.914 8.532 10.670 1.00 0.00 C ATOM 409 CD LYS A 450 -10.133 8.701 11.571 1.00 0.00 C ATOM 410 CE LYS A 450 -9.768 9.502 12.825 1.00 0.00 C ATOM 411 NZ LYS A 450 -10.942 9.686 13.715 1.00 0.00 N ATOM 0 H LYS A 450 -7.208 8.888 7.629 1.00 0.00 H new ATOM 0 HA LYS A 450 -7.860 6.446 9.132 1.00 0.00 H new ATOM 0 HB2 LYS A 450 -9.754 8.792 8.698 1.00 0.00 H new ATOM 0 HB3 LYS A 450 -10.162 7.262 9.448 1.00 0.00 H new ATOM 0 HG2 LYS A 450 -8.197 7.854 11.134 1.00 0.00 H new ATOM 0 HG3 LYS A 450 -8.409 9.489 10.541 1.00 0.00 H new ATOM 0 HD2 LYS A 450 -10.928 9.210 11.026 1.00 0.00 H new ATOM 0 HD3 LYS A 450 -10.519 7.723 11.857 1.00 0.00 H new ATOM 0 HE2 LYS A 450 -8.975 8.988 13.368 1.00 0.00 H new ATOM 0 HE3 LYS A 450 -9.375 10.476 12.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 -10.660 10.232 14.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 -11.688 10.199 13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 -11.302 8.756 14.012 1.00 0.00 H new ATOM 425 N THR A 451 -9.513 5.730 7.202 1.00 0.00 N ATOM 426 CA THR A 451 -10.114 5.109 6.005 1.00 0.00 C ATOM 427 C THR A 451 -10.790 6.130 5.081 1.00 0.00 C ATOM 428 O THR A 451 -10.690 6.027 3.860 1.00 0.00 O ATOM 429 CB THR A 451 -11.146 4.039 6.404 1.00 0.00 C ATOM 430 OG1 THR A 451 -10.745 3.316 7.550 1.00 0.00 O ATOM 431 CG2 THR A 451 -11.365 3.025 5.287 1.00 0.00 C ATOM 0 H THR A 451 -9.808 5.280 8.069 1.00 0.00 H new ATOM 0 HA THR A 451 -9.290 4.651 5.458 1.00 0.00 H new ATOM 0 HB THR A 451 -12.066 4.586 6.609 1.00 0.00 H new ATOM 0 HG1 THR A 451 -11.427 2.648 7.771 1.00 0.00 H new ATOM 0 HG21 THR A 451 -12.100 2.286 5.606 1.00 0.00 H new ATOM 0 HG22 THR A 451 -11.729 3.538 4.396 1.00 0.00 H new ATOM 0 HG23 THR A 451 -10.423 2.526 5.059 1.00 0.00 H new ATOM 439 N SER A 452 -11.426 7.163 5.642 1.00 0.00 N ATOM 440 CA SER A 452 -12.054 8.246 4.873 1.00 0.00 C ATOM 441 C SER A 452 -11.058 9.139 4.124 1.00 0.00 C ATOM 442 O SER A 452 -11.320 9.544 2.991 1.00 0.00 O ATOM 443 CB SER A 452 -12.864 9.144 5.804 1.00 0.00 C ATOM 444 OG SER A 452 -13.945 8.424 6.377 1.00 0.00 O ATOM 0 H SER A 452 -11.521 7.274 6.652 1.00 0.00 H new ATOM 0 HA SER A 452 -12.681 7.748 4.133 1.00 0.00 H new ATOM 0 HB2 SER A 452 -12.221 9.534 6.593 1.00 0.00 H new ATOM 0 HB3 SER A 452 -13.245 10.002 5.250 1.00 0.00 H new ATOM 0 HG SER A 452 -14.452 9.014 6.972 1.00 0.00 H new ATOM 450 N ASP A 453 -9.908 9.457 4.727 1.00 0.00 N ATOM 451 CA ASP A 453 -8.826 10.191 4.052 1.00 0.00 C ATOM 452 C ASP A 453 -8.197 9.341 2.938 1.00 0.00 C ATOM 453 O ASP A 453 -7.785 9.863 1.901 1.00 0.00 O ATOM 454 CB ASP A 453 -7.739 10.600 5.057 1.00 0.00 C ATOM 455 CG ASP A 453 -8.275 11.498 6.179 1.00 0.00 C ATOM 456 OD1 ASP A 453 -8.668 12.656 5.901 1.00 0.00 O ATOM 457 OD2 ASP A 453 -8.287 11.045 7.348 1.00 0.00 O ATOM 0 H ASP A 453 -9.698 9.214 5.695 1.00 0.00 H new ATOM 0 HA ASP A 453 -9.261 11.087 3.610 1.00 0.00 H new ATOM 0 HB2 ASP A 453 -7.299 9.704 5.494 1.00 0.00 H new ATOM 0 HB3 ASP A 453 -6.941 11.122 4.530 1.00 0.00 H new ATOM 462 N LEU A 454 -8.178 8.019 3.130 1.00 0.00 N ATOM 463 CA LEU A 454 -7.682 7.054 2.146 1.00 0.00 C ATOM 464 C LEU A 454 -8.642 6.938 0.945 1.00 0.00 C ATOM 465 O LEU A 454 -8.202 7.055 -0.199 1.00 0.00 O ATOM 466 CB LEU A 454 -7.422 5.702 2.841 1.00 0.00 C ATOM 467 CG LEU A 454 -6.205 5.698 3.788 1.00 0.00 C ATOM 468 CD1 LEU A 454 -6.179 4.397 4.593 1.00 0.00 C ATOM 469 CD2 LEU A 454 -4.876 5.816 3.037 1.00 0.00 C ATOM 0 H LEU A 454 -8.513 7.582 3.989 1.00 0.00 H new ATOM 0 HA LEU A 454 -6.735 7.404 1.736 1.00 0.00 H new ATOM 0 HB2 LEU A 454 -8.310 5.422 3.408 1.00 0.00 H new ATOM 0 HB3 LEU A 454 -7.276 4.937 2.078 1.00 0.00 H new ATOM 0 HG LEU A 454 -6.313 6.565 4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -5.317 4.399 5.260 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -7.093 4.315 5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -6.108 3.549 3.912 1.00 0.00 H new ATOM 0 HD21 LEU A 454 -4.053 5.808 3.751 1.00 0.00 H new ATOM 0 HD22 LEU A 454 -4.770 4.975 2.351 1.00 0.00 H new ATOM 0 HD23 LEU A 454 -4.858 6.749 2.473 1.00 0.00 H new ATOM 481 N TYR A 455 -9.956 6.819 1.170 1.00 0.00 N ATOM 482 CA TYR A 455 -10.952 6.877 0.089 1.00 0.00 C ATOM 483 C TYR A 455 -10.876 8.183 -0.725 1.00 0.00 C ATOM 484 O TYR A 455 -11.002 8.146 -1.949 1.00 0.00 O ATOM 485 CB TYR A 455 -12.375 6.679 0.641 1.00 0.00 C ATOM 486 CG TYR A 455 -12.757 5.251 1.000 1.00 0.00 C ATOM 487 CD1 TYR A 455 -12.664 4.226 0.035 1.00 0.00 C ATOM 488 CD2 TYR A 455 -13.285 4.958 2.274 1.00 0.00 C ATOM 489 CE1 TYR A 455 -13.066 2.913 0.349 1.00 0.00 C ATOM 490 CE2 TYR A 455 -13.700 3.650 2.588 1.00 0.00 C ATOM 491 CZ TYR A 455 -13.582 2.619 1.630 1.00 0.00 C ATOM 492 OH TYR A 455 -13.980 1.356 1.944 1.00 0.00 O ATOM 0 H TYR A 455 -10.358 6.681 2.097 1.00 0.00 H new ATOM 0 HA TYR A 455 -10.714 6.059 -0.591 1.00 0.00 H new ATOM 0 HB2 TYR A 455 -12.488 7.299 1.530 1.00 0.00 H new ATOM 0 HB3 TYR A 455 -13.085 7.049 -0.098 1.00 0.00 H new ATOM 0 HD1 TYR A 455 -12.282 4.449 -0.950 1.00 0.00 H new ATOM 0 HD2 TYR A 455 -13.372 5.741 3.013 1.00 0.00 H new ATOM 0 HE1 TYR A 455 -12.979 2.131 -0.391 1.00 0.00 H new ATOM 0 HE2 TYR A 455 -14.110 3.434 3.564 1.00 0.00 H new ATOM 0 HH TYR A 455 -14.307 1.336 2.868 1.00 0.00 H new ATOM 502 N GLN A 456 -10.615 9.329 -0.084 1.00 0.00 N ATOM 503 CA GLN A 456 -10.412 10.612 -0.751 1.00 0.00 C ATOM 504 C GLN A 456 -9.095 10.683 -1.549 1.00 0.00 C ATOM 505 O GLN A 456 -9.084 11.236 -2.651 1.00 0.00 O ATOM 506 CB GLN A 456 -10.467 11.693 0.333 1.00 0.00 C ATOM 507 CG GLN A 456 -11.913 12.022 0.735 1.00 0.00 C ATOM 508 CD GLN A 456 -11.960 12.959 1.938 1.00 0.00 C ATOM 509 OE1 GLN A 456 -12.093 14.173 1.824 1.00 0.00 O ATOM 510 NE2 GLN A 456 -11.843 12.429 3.136 1.00 0.00 N ATOM 0 H GLN A 456 -10.538 9.387 0.931 1.00 0.00 H new ATOM 0 HA GLN A 456 -11.194 10.758 -1.496 1.00 0.00 H new ATOM 0 HB2 GLN A 456 -9.913 11.358 1.210 1.00 0.00 H new ATOM 0 HB3 GLN A 456 -9.975 12.596 -0.029 1.00 0.00 H new ATOM 0 HG2 GLN A 456 -12.430 12.483 -0.107 1.00 0.00 H new ATOM 0 HG3 GLN A 456 -12.445 11.100 0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 456 -11.732 11.420 3.239 1.00 0.00 H new ATOM 0 HE22 GLN A 456 -11.863 13.027 3.962 1.00 0.00 H new ATOM 519 N LEU A 457 -8.002 10.086 -1.050 1.00 0.00 N ATOM 520 CA LEU A 457 -6.701 10.016 -1.737 1.00 0.00 C ATOM 521 C LEU A 457 -6.781 9.228 -3.057 1.00 0.00 C ATOM 522 O LEU A 457 -6.123 9.583 -4.036 1.00 0.00 O ATOM 523 CB LEU A 457 -5.668 9.399 -0.770 1.00 0.00 C ATOM 524 CG LEU A 457 -4.246 9.215 -1.338 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.603 10.544 -1.738 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.351 8.549 -0.292 1.00 0.00 C ATOM 0 H LEU A 457 -7.997 9.628 -0.138 1.00 0.00 H new ATOM 0 HA LEU A 457 -6.391 11.024 -2.012 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -5.606 10.030 0.117 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -6.038 8.427 -0.445 1.00 0.00 H new ATOM 0 HG LEU A 457 -4.340 8.593 -2.228 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -2.603 10.361 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -4.211 11.027 -2.503 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -3.536 11.193 -0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -2.348 8.422 -0.699 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -3.304 9.175 0.599 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -3.762 7.574 -0.029 1.00 0.00 H new ATOM 538 N PHE A 458 -7.629 8.196 -3.098 1.00 0.00 N ATOM 539 CA PHE A 458 -7.785 7.293 -4.250 1.00 0.00 C ATOM 540 C PHE A 458 -9.072 7.524 -5.068 1.00 0.00 C ATOM 541 O PHE A 458 -9.333 6.795 -6.026 1.00 0.00 O ATOM 542 CB PHE A 458 -7.658 5.847 -3.756 1.00 0.00 C ATOM 543 CG PHE A 458 -6.288 5.522 -3.187 1.00 0.00 C ATOM 544 CD1 PHE A 458 -5.162 5.538 -4.030 1.00 0.00 C ATOM 545 CD2 PHE A 458 -6.122 5.234 -1.818 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.883 5.286 -3.510 1.00 0.00 C ATOM 547 CE2 PHE A 458 -4.840 5.003 -1.292 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.719 5.020 -2.139 1.00 0.00 C ATOM 0 H PHE A 458 -8.240 7.957 -2.317 1.00 0.00 H new ATOM 0 HA PHE A 458 -6.988 7.515 -4.959 1.00 0.00 H new ATOM 0 HB2 PHE A 458 -8.413 5.664 -2.992 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -7.870 5.169 -4.582 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -5.282 5.745 -5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -6.985 5.191 -1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -3.023 5.296 -4.164 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -4.716 4.812 -0.236 1.00 0.00 H new ATOM 0 HZ PHE A 458 -2.734 4.829 -1.738 1.00 0.00 H new ATOM 558 N SER A 459 -9.849 8.568 -4.750 1.00 0.00 N ATOM 559 CA SER A 459 -11.071 8.963 -5.476 1.00 0.00 C ATOM 560 C SER A 459 -10.842 9.187 -6.984 1.00 0.00 C ATOM 561 O SER A 459 -11.721 8.905 -7.804 1.00 0.00 O ATOM 562 CB SER A 459 -11.652 10.226 -4.825 1.00 0.00 C ATOM 563 OG SER A 459 -12.926 10.543 -5.362 1.00 0.00 O ATOM 0 H SER A 459 -9.642 9.180 -3.960 1.00 0.00 H new ATOM 0 HA SER A 459 -11.777 8.136 -5.403 1.00 0.00 H new ATOM 0 HB2 SER A 459 -11.736 10.077 -3.748 1.00 0.00 H new ATOM 0 HB3 SER A 459 -10.971 11.063 -4.979 1.00 0.00 H new ATOM 0 HG SER A 459 -13.272 11.351 -4.928 1.00 0.00 H new ATOM 569 N ALA A 460 -9.626 9.599 -7.369 1.00 0.00 N ATOM 570 CA ALA A 460 -9.164 9.734 -8.756 1.00 0.00 C ATOM 571 C ALA A 460 -9.213 8.433 -9.598 1.00 0.00 C ATOM 572 O ALA A 460 -9.108 8.496 -10.827 1.00 0.00 O ATOM 573 CB ALA A 460 -7.741 10.305 -8.718 1.00 0.00 C ATOM 0 H ALA A 460 -8.908 9.858 -6.693 1.00 0.00 H new ATOM 0 HA ALA A 460 -9.859 10.402 -9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -7.367 10.418 -9.736 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -7.752 11.277 -8.225 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -7.091 9.626 -8.166 1.00 0.00 H new ATOM 579 N PHE A 461 -9.402 7.269 -8.964 1.00 0.00 N ATOM 580 CA PHE A 461 -9.455 5.944 -9.600 1.00 0.00 C ATOM 581 C PHE A 461 -10.818 5.239 -9.423 1.00 0.00 C ATOM 582 O PHE A 461 -10.974 4.082 -9.823 1.00 0.00 O ATOM 583 CB PHE A 461 -8.304 5.086 -9.048 1.00 0.00 C ATOM 584 CG PHE A 461 -6.926 5.722 -9.137 1.00 0.00 C ATOM 585 CD1 PHE A 461 -6.371 6.051 -10.390 1.00 0.00 C ATOM 586 CD2 PHE A 461 -6.201 5.998 -7.962 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.097 6.641 -10.466 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.931 6.597 -8.039 1.00 0.00 C ATOM 589 CZ PHE A 461 -4.376 6.915 -9.291 1.00 0.00 C ATOM 0 H PHE A 461 -9.527 7.221 -7.953 1.00 0.00 H new ATOM 0 HA PHE A 461 -9.339 6.078 -10.675 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -8.513 4.854 -8.004 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -8.286 4.139 -9.588 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -6.926 5.849 -11.294 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -6.621 5.749 -6.999 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -4.672 6.884 -11.429 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.381 6.813 -7.135 1.00 0.00 H new ATOM 0 HZ PHE A 461 -3.398 7.369 -9.350 1.00 0.00 H new ATOM 599 N GLY A 462 -11.818 5.915 -8.841 1.00 0.00 N ATOM 600 CA GLY A 462 -13.139 5.340 -8.563 1.00 0.00 C ATOM 601 C GLY A 462 -13.151 4.438 -7.321 1.00 0.00 C ATOM 602 O GLY A 462 -12.424 4.681 -6.353 1.00 0.00 O ATOM 0 H GLY A 462 -11.730 6.888 -8.547 1.00 0.00 H new ATOM 0 HA2 GLY A 462 -13.859 6.147 -8.426 1.00 0.00 H new ATOM 0 HA3 GLY A 462 -13.467 4.763 -9.428 1.00 0.00 H new ATOM 606 N ASN A 463 -14.007 3.412 -7.329 1.00 0.00 N ATOM 607 CA ASN A 463 -14.119 2.422 -6.251 1.00 0.00 C ATOM 608 C ASN A 463 -12.796 1.656 -6.004 1.00 0.00 C ATOM 609 O ASN A 463 -12.090 1.295 -6.949 1.00 0.00 O ATOM 610 CB ASN A 463 -15.272 1.463 -6.605 1.00 0.00 C ATOM 611 CG ASN A 463 -15.580 0.477 -5.487 1.00 0.00 C ATOM 612 OD1 ASN A 463 -15.641 0.828 -4.317 1.00 0.00 O ATOM 613 ND2 ASN A 463 -15.773 -0.784 -5.802 1.00 0.00 N ATOM 0 H ASN A 463 -14.654 3.242 -8.099 1.00 0.00 H new ATOM 0 HA ASN A 463 -14.331 2.937 -5.314 1.00 0.00 H new ATOM 0 HB2 ASN A 463 -16.167 2.044 -6.828 1.00 0.00 H new ATOM 0 HB3 ASN A 463 -15.016 0.912 -7.510 1.00 0.00 H new ATOM 0 HD21 ASN A 463 -15.973 -1.467 -5.072 1.00 0.00 H new ATOM 0 HD22 ASN A 463 -15.723 -1.080 -6.777 1.00 0.00 H new ATOM 620 N ILE A 464 -12.496 1.365 -4.734 1.00 0.00 N ATOM 621 CA ILE A 464 -11.295 0.646 -4.262 1.00 0.00 C ATOM 622 C ILE A 464 -11.624 -0.267 -3.063 1.00 0.00 C ATOM 623 O ILE A 464 -12.748 -0.259 -2.554 1.00 0.00 O ATOM 624 CB ILE A 464 -10.162 1.637 -3.877 1.00 0.00 C ATOM 625 CG1 ILE A 464 -10.584 2.629 -2.768 1.00 0.00 C ATOM 626 CG2 ILE A 464 -9.632 2.396 -5.107 1.00 0.00 C ATOM 627 CD1 ILE A 464 -9.386 3.142 -1.964 1.00 0.00 C ATOM 0 H ILE A 464 -13.110 1.635 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 464 -10.948 0.023 -5.087 1.00 0.00 H new ATOM 0 HB ILE A 464 -9.354 1.027 -3.472 1.00 0.00 H new ATOM 0 HG12 ILE A 464 -11.106 3.474 -3.218 1.00 0.00 H new ATOM 0 HG13 ILE A 464 -11.289 2.141 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 464 -8.841 3.080 -4.799 1.00 0.00 H new ATOM 0 HG22 ILE A 464 -9.235 1.684 -5.831 1.00 0.00 H new ATOM 0 HG23 ILE A 464 -10.444 2.962 -5.563 1.00 0.00 H new ATOM 0 HD11 ILE A 464 -9.732 3.835 -1.197 1.00 0.00 H new ATOM 0 HD12 ILE A 464 -8.879 2.301 -1.491 1.00 0.00 H new ATOM 0 HD13 ILE A 464 -8.693 3.655 -2.631 1.00 0.00 H new ATOM 639 N GLN A 465 -10.630 -1.010 -2.566 1.00 0.00 N ATOM 640 CA GLN A 465 -10.699 -1.762 -1.304 1.00 0.00 C ATOM 641 C GLN A 465 -9.438 -1.499 -0.464 1.00 0.00 C ATOM 642 O GLN A 465 -8.349 -1.347 -1.018 1.00 0.00 O ATOM 643 CB GLN A 465 -10.885 -3.261 -1.606 1.00 0.00 C ATOM 644 CG GLN A 465 -11.506 -4.022 -0.424 1.00 0.00 C ATOM 645 CD GLN A 465 -11.787 -5.495 -0.741 1.00 0.00 C ATOM 646 OE1 GLN A 465 -11.087 -6.157 -1.500 1.00 0.00 O ATOM 647 NE2 GLN A 465 -12.829 -6.072 -0.177 1.00 0.00 N ATOM 0 H GLN A 465 -9.732 -1.109 -3.040 1.00 0.00 H new ATOM 0 HA GLN A 465 -11.557 -1.428 -0.720 1.00 0.00 H new ATOM 0 HB2 GLN A 465 -11.521 -3.376 -2.484 1.00 0.00 H new ATOM 0 HB3 GLN A 465 -9.919 -3.702 -1.852 1.00 0.00 H new ATOM 0 HG2 GLN A 465 -10.834 -3.962 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 465 -12.437 -3.535 -0.134 1.00 0.00 H new ATOM 0 HE21 GLN A 465 -13.425 -5.540 0.458 1.00 0.00 H new ATOM 0 HE22 GLN A 465 -13.040 -7.050 -0.375 1.00 0.00 H new ATOM 656 N ILE A 466 -9.576 -1.451 0.865 1.00 0.00 N ATOM 657 CA ILE A 466 -8.522 -1.048 1.814 1.00 0.00 C ATOM 658 C ILE A 466 -8.351 -2.150 2.871 1.00 0.00 C ATOM 659 O ILE A 466 -9.333 -2.624 3.449 1.00 0.00 O ATOM 660 CB ILE A 466 -8.868 0.318 2.469 1.00 0.00 C ATOM 661 CG1 ILE A 466 -9.070 1.432 1.410 1.00 0.00 C ATOM 662 CG2 ILE A 466 -7.767 0.730 3.470 1.00 0.00 C ATOM 663 CD1 ILE A 466 -9.639 2.745 1.963 1.00 0.00 C ATOM 0 H ILE A 466 -10.450 -1.698 1.329 1.00 0.00 H new ATOM 0 HA ILE A 466 -7.579 -0.921 1.282 1.00 0.00 H new ATOM 0 HB ILE A 466 -9.810 0.194 3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 466 -8.112 1.639 0.933 1.00 0.00 H new ATOM 0 HG13 ILE A 466 -9.739 1.060 0.634 1.00 0.00 H new ATOM 0 HG21 ILE A 466 -8.025 1.689 3.920 1.00 0.00 H new ATOM 0 HG22 ILE A 466 -7.683 -0.026 4.250 1.00 0.00 H new ATOM 0 HG23 ILE A 466 -6.815 0.819 2.947 1.00 0.00 H new ATOM 0 HD11 ILE A 466 -9.746 3.465 1.152 1.00 0.00 H new ATOM 0 HD12 ILE A 466 -10.614 2.558 2.414 1.00 0.00 H new ATOM 0 HD13 ILE A 466 -8.962 3.146 2.717 1.00 0.00 H new ATOM 675 N SER A 467 -7.102 -2.550 3.128 1.00 0.00 N ATOM 676 CA SER A 467 -6.718 -3.630 4.044 1.00 0.00 C ATOM 677 C SER A 467 -5.544 -3.199 4.930 1.00 0.00 C ATOM 678 O SER A 467 -4.383 -3.255 4.517 1.00 0.00 O ATOM 679 CB SER A 467 -6.345 -4.886 3.247 1.00 0.00 C ATOM 680 OG SER A 467 -7.485 -5.469 2.632 1.00 0.00 O ATOM 0 H SER A 467 -6.295 -2.111 2.684 1.00 0.00 H new ATOM 0 HA SER A 467 -7.568 -3.856 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 467 -5.610 -4.629 2.484 1.00 0.00 H new ATOM 0 HB3 SER A 467 -5.876 -5.613 3.910 1.00 0.00 H new ATOM 0 HG SER A 467 -7.214 -6.266 2.130 1.00 0.00 H new ATOM 686 N TRP A 468 -5.836 -2.734 6.146 1.00 0.00 N ATOM 687 CA TRP A 468 -4.832 -2.332 7.141 1.00 0.00 C ATOM 688 C TRP A 468 -3.844 -3.456 7.493 1.00 0.00 C ATOM 689 O TRP A 468 -4.211 -4.635 7.524 1.00 0.00 O ATOM 690 CB TRP A 468 -5.533 -1.882 8.423 1.00 0.00 C ATOM 691 CG TRP A 468 -6.463 -0.715 8.298 1.00 0.00 C ATOM 692 CD1 TRP A 468 -7.806 -0.787 8.167 1.00 0.00 C ATOM 693 CD2 TRP A 468 -6.152 0.707 8.388 1.00 0.00 C ATOM 694 NE1 TRP A 468 -8.333 0.489 8.065 1.00 0.00 N ATOM 695 CE2 TRP A 468 -7.355 1.451 8.200 1.00 0.00 C ATOM 696 CE3 TRP A 468 -4.978 1.439 8.660 1.00 0.00 C ATOM 697 CZ2 TRP A 468 -7.379 2.853 8.213 1.00 0.00 C ATOM 698 CZ3 TRP A 468 -5.002 2.846 8.702 1.00 0.00 C ATOM 699 CH2 TRP A 468 -6.189 3.556 8.454 1.00 0.00 C ATOM 0 H TRP A 468 -6.795 -2.623 6.476 1.00 0.00 H new ATOM 0 HA TRP A 468 -4.261 -1.519 6.694 1.00 0.00 H new ATOM 0 HB2 TRP A 468 -6.096 -2.727 8.819 1.00 0.00 H new ATOM 0 HB3 TRP A 468 -4.770 -1.633 9.161 1.00 0.00 H new ATOM 0 HD1 TRP A 468 -8.381 -1.701 8.145 1.00 0.00 H new ATOM 0 HE1 TRP A 468 -9.320 0.692 7.910 1.00 0.00 H new ATOM 0 HE3 TRP A 468 -4.051 0.915 8.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 -8.303 3.385 8.040 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 -4.095 3.387 8.928 1.00 0.00 H new ATOM 0 HH2 TRP A 468 -6.185 4.636 8.449 1.00 0.00 H new ATOM 710 N ILE A 469 -2.613 -3.072 7.852 1.00 0.00 N ATOM 711 CA ILE A 469 -1.590 -3.965 8.422 1.00 0.00 C ATOM 712 C ILE A 469 -0.895 -3.378 9.662 1.00 0.00 C ATOM 713 O ILE A 469 -0.329 -4.128 10.460 1.00 0.00 O ATOM 714 CB ILE A 469 -0.548 -4.365 7.360 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.144 -3.161 6.683 1.00 0.00 C ATOM 716 CG2 ILE A 469 -1.184 -5.304 6.323 1.00 0.00 C ATOM 717 CD1 ILE A 469 1.340 -3.558 5.813 1.00 0.00 C ATOM 0 H ILE A 469 -2.290 -2.109 7.753 1.00 0.00 H new ATOM 0 HA ILE A 469 -2.121 -4.857 8.753 1.00 0.00 H new ATOM 0 HB ILE A 469 0.247 -4.895 7.885 1.00 0.00 H new ATOM 0 HG12 ILE A 469 -0.584 -2.632 6.068 1.00 0.00 H new ATOM 0 HG13 ILE A 469 0.478 -2.464 7.452 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.439 -5.580 5.577 1.00 0.00 H new ATOM 0 HG22 ILE A 469 -1.549 -6.202 6.821 1.00 0.00 H new ATOM 0 HG23 ILE A 469 -2.016 -4.796 5.834 1.00 0.00 H new ATOM 0 HD11 ILE A 469 1.779 -2.665 5.368 1.00 0.00 H new ATOM 0 HD12 ILE A 469 2.086 -4.061 6.428 1.00 0.00 H new ATOM 0 HD13 ILE A 469 1.008 -4.231 5.023 1.00 0.00 H new ATOM 729 N ASP A 470 -0.968 -2.061 9.860 1.00 0.00 N ATOM 730 CA ASP A 470 -0.423 -1.348 11.020 1.00 0.00 C ATOM 731 C ASP A 470 -1.210 -0.055 11.319 1.00 0.00 C ATOM 732 O ASP A 470 -2.019 0.422 10.520 1.00 0.00 O ATOM 733 CB ASP A 470 1.057 -1.027 10.741 1.00 0.00 C ATOM 734 CG ASP A 470 1.808 -0.479 11.961 1.00 0.00 C ATOM 735 OD1 ASP A 470 2.065 -1.249 12.916 1.00 0.00 O ATOM 736 OD2 ASP A 470 2.090 0.742 11.981 1.00 0.00 O ATOM 0 H ASP A 470 -1.424 -1.438 9.194 1.00 0.00 H new ATOM 0 HA ASP A 470 -0.513 -1.983 11.902 1.00 0.00 H new ATOM 0 HB2 ASP A 470 1.557 -1.931 10.393 1.00 0.00 H new ATOM 0 HB3 ASP A 470 1.116 -0.299 9.932 1.00 0.00 H new ATOM 741 N ASP A 471 -0.904 0.552 12.462 1.00 0.00 N ATOM 742 CA ASP A 471 -1.351 1.886 12.881 1.00 0.00 C ATOM 743 C ASP A 471 -0.873 3.012 11.933 1.00 0.00 C ATOM 744 O ASP A 471 -1.444 4.104 11.940 1.00 0.00 O ATOM 745 CB ASP A 471 -0.823 2.093 14.311 1.00 0.00 C ATOM 746 CG ASP A 471 -1.213 3.426 14.966 1.00 0.00 C ATOM 747 OD1 ASP A 471 -2.425 3.699 15.132 1.00 0.00 O ATOM 748 OD2 ASP A 471 -0.307 4.153 15.435 1.00 0.00 O ATOM 0 H ASP A 471 -0.307 0.108 13.160 1.00 0.00 H new ATOM 0 HA ASP A 471 -2.439 1.939 12.845 1.00 0.00 H new ATOM 0 HB2 ASP A 471 -1.188 1.279 14.937 1.00 0.00 H new ATOM 0 HB3 ASP A 471 0.264 2.020 14.294 1.00 0.00 H new ATOM 753 N THR A 472 0.140 2.747 11.095 1.00 0.00 N ATOM 754 CA THR A 472 0.777 3.709 10.171 1.00 0.00 C ATOM 755 C THR A 472 0.911 3.214 8.719 1.00 0.00 C ATOM 756 O THR A 472 1.479 3.926 7.885 1.00 0.00 O ATOM 757 CB THR A 472 2.161 4.148 10.690 1.00 0.00 C ATOM 758 OG1 THR A 472 3.074 3.069 10.759 1.00 0.00 O ATOM 759 CG2 THR A 472 2.097 4.816 12.065 1.00 0.00 C ATOM 0 H THR A 472 0.559 1.819 11.037 1.00 0.00 H new ATOM 0 HA THR A 472 0.094 4.558 10.148 1.00 0.00 H new ATOM 0 HB THR A 472 2.512 4.877 9.960 1.00 0.00 H new ATOM 0 HG1 THR A 472 2.651 2.311 11.214 1.00 0.00 H new ATOM 0 HG21 THR A 472 3.101 5.103 12.377 1.00 0.00 H new ATOM 0 HG22 THR A 472 1.467 5.704 12.009 1.00 0.00 H new ATOM 0 HG23 THR A 472 1.677 4.118 12.789 1.00 0.00 H new ATOM 767 N SER A 473 0.388 2.027 8.373 1.00 0.00 N ATOM 768 CA SER A 473 0.368 1.542 6.979 1.00 0.00 C ATOM 769 C SER A 473 -0.740 0.527 6.651 1.00 0.00 C ATOM 770 O SER A 473 -1.282 -0.164 7.521 1.00 0.00 O ATOM 771 CB SER A 473 1.739 0.977 6.566 1.00 0.00 C ATOM 772 OG SER A 473 2.109 -0.171 7.308 1.00 0.00 O ATOM 0 H SER A 473 -0.030 1.380 9.042 1.00 0.00 H new ATOM 0 HA SER A 473 0.134 2.430 6.391 1.00 0.00 H new ATOM 0 HB2 SER A 473 1.718 0.727 5.505 1.00 0.00 H new ATOM 0 HB3 SER A 473 2.498 1.748 6.697 1.00 0.00 H new ATOM 0 HG SER A 473 2.985 -0.489 7.004 1.00 0.00 H new ATOM 778 N ALA A 474 -1.079 0.443 5.361 1.00 0.00 N ATOM 779 CA ALA A 474 -2.142 -0.400 4.808 1.00 0.00 C ATOM 780 C ALA A 474 -1.869 -0.796 3.342 1.00 0.00 C ATOM 781 O ALA A 474 -1.073 -0.155 2.651 1.00 0.00 O ATOM 782 CB ALA A 474 -3.462 0.384 4.903 1.00 0.00 C ATOM 0 H ALA A 474 -0.599 0.985 4.643 1.00 0.00 H new ATOM 0 HA ALA A 474 -2.192 -1.327 5.380 1.00 0.00 H new ATOM 0 HB1 ALA A 474 -4.274 -0.220 4.498 1.00 0.00 H new ATOM 0 HB2 ALA A 474 -3.671 0.620 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -3.378 1.309 4.332 1.00 0.00 H new ATOM 788 N PHE A 475 -2.568 -1.820 2.850 1.00 0.00 N ATOM 789 CA PHE A 475 -2.633 -2.172 1.429 1.00 0.00 C ATOM 790 C PHE A 475 -3.917 -1.607 0.801 1.00 0.00 C ATOM 791 O PHE A 475 -4.942 -1.482 1.482 1.00 0.00 O ATOM 792 CB PHE A 475 -2.615 -3.697 1.244 1.00 0.00 C ATOM 793 CG PHE A 475 -1.341 -4.399 1.670 1.00 0.00 C ATOM 794 CD1 PHE A 475 -0.112 -4.063 1.069 1.00 0.00 C ATOM 795 CD2 PHE A 475 -1.392 -5.435 2.622 1.00 0.00 C ATOM 796 CE1 PHE A 475 1.064 -4.743 1.438 1.00 0.00 C ATOM 797 CE2 PHE A 475 -0.222 -6.132 2.969 1.00 0.00 C ATOM 798 CZ PHE A 475 1.006 -5.779 2.385 1.00 0.00 C ATOM 0 H PHE A 475 -3.118 -2.443 3.442 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.761 -1.742 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 475 -3.447 -4.122 1.806 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -2.795 -3.918 0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -0.072 -3.282 0.324 1.00 0.00 H new ATOM 0 HD2 PHE A 475 -2.332 -5.695 3.086 1.00 0.00 H new ATOM 0 HE1 PHE A 475 2.009 -4.469 0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -0.267 -6.939 3.685 1.00 0.00 H new ATOM 0 HZ PHE A 475 1.907 -6.305 2.665 1.00 0.00 H new ATOM 808 N VAL A 476 -3.888 -1.307 -0.502 1.00 0.00 N ATOM 809 CA VAL A 476 -5.037 -0.762 -1.250 1.00 0.00 C ATOM 810 C VAL A 476 -5.144 -1.400 -2.636 1.00 0.00 C ATOM 811 O VAL A 476 -4.252 -1.254 -3.472 1.00 0.00 O ATOM 812 CB VAL A 476 -4.973 0.778 -1.356 1.00 0.00 C ATOM 813 CG1 VAL A 476 -6.156 1.334 -2.160 1.00 0.00 C ATOM 814 CG2 VAL A 476 -5.012 1.430 0.033 1.00 0.00 C ATOM 0 H VAL A 476 -3.057 -1.436 -1.079 1.00 0.00 H new ATOM 0 HA VAL A 476 -5.937 -1.014 -0.689 1.00 0.00 H new ATOM 0 HB VAL A 476 -4.035 1.013 -1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -6.080 2.420 -2.215 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -6.139 0.917 -3.167 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -7.090 1.060 -1.670 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -4.966 2.514 -0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -5.937 1.154 0.539 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -4.161 1.086 0.621 1.00 0.00 H new ATOM 824 N SER A 477 -6.255 -2.095 -2.883 1.00 0.00 N ATOM 825 CA SER A 477 -6.630 -2.673 -4.180 1.00 0.00 C ATOM 826 C SER A 477 -7.302 -1.618 -5.066 1.00 0.00 C ATOM 827 O SER A 477 -8.384 -1.126 -4.734 1.00 0.00 O ATOM 828 CB SER A 477 -7.623 -3.822 -3.967 1.00 0.00 C ATOM 829 OG SER A 477 -7.003 -4.902 -3.286 1.00 0.00 O ATOM 0 H SER A 477 -6.948 -2.280 -2.158 1.00 0.00 H new ATOM 0 HA SER A 477 -5.724 -3.036 -4.665 1.00 0.00 H new ATOM 0 HB2 SER A 477 -8.479 -3.467 -3.393 1.00 0.00 H new ATOM 0 HB3 SER A 477 -8.004 -4.163 -4.930 1.00 0.00 H new ATOM 0 HG SER A 477 -7.653 -5.624 -3.158 1.00 0.00 H new ATOM 835 N LEU A 478 -6.677 -1.282 -6.197 1.00 0.00 N ATOM 836 CA LEU A 478 -7.241 -0.388 -7.217 1.00 0.00 C ATOM 837 C LEU A 478 -8.139 -1.154 -8.212 1.00 0.00 C ATOM 838 O LEU A 478 -8.039 -2.380 -8.331 1.00 0.00 O ATOM 839 CB LEU A 478 -6.089 0.334 -7.937 1.00 0.00 C ATOM 840 CG LEU A 478 -5.163 1.174 -7.034 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.159 1.905 -7.919 1.00 0.00 C ATOM 842 CD2 LEU A 478 -5.911 2.223 -6.207 1.00 0.00 C ATOM 0 H LEU A 478 -5.748 -1.629 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 478 -7.880 0.349 -6.732 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -5.484 -0.411 -8.455 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -6.513 0.987 -8.700 1.00 0.00 H new ATOM 0 HG LEU A 478 -4.684 0.485 -6.338 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -3.495 2.505 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -3.572 1.178 -8.480 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.692 2.555 -8.613 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -5.200 2.778 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -6.429 2.911 -6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -6.637 1.728 -5.562 1.00 0.00 H new ATOM 854 N SER A 479 -9.024 -0.457 -8.935 1.00 0.00 N ATOM 855 CA SER A 479 -9.985 -1.092 -9.861 1.00 0.00 C ATOM 856 C SER A 479 -9.358 -1.633 -11.157 1.00 0.00 C ATOM 857 O SER A 479 -9.938 -2.520 -11.790 1.00 0.00 O ATOM 858 CB SER A 479 -11.154 -0.152 -10.183 1.00 0.00 C ATOM 859 OG SER A 479 -10.753 0.983 -10.932 1.00 0.00 O ATOM 0 H SER A 479 -9.099 0.560 -8.899 1.00 0.00 H new ATOM 0 HA SER A 479 -10.359 -1.964 -9.323 1.00 0.00 H new ATOM 0 HB2 SER A 479 -11.913 -0.701 -10.741 1.00 0.00 H new ATOM 0 HB3 SER A 479 -11.617 0.177 -9.253 1.00 0.00 H new ATOM 0 HG SER A 479 -10.925 1.796 -10.412 1.00 0.00 H new ATOM 865 N GLN A 480 -8.163 -1.159 -11.534 1.00 0.00 N ATOM 866 CA GLN A 480 -7.373 -1.645 -12.677 1.00 0.00 C ATOM 867 C GLN A 480 -5.865 -1.650 -12.343 1.00 0.00 C ATOM 868 O GLN A 480 -5.404 -0.775 -11.603 1.00 0.00 O ATOM 869 CB GLN A 480 -7.611 -0.750 -13.911 1.00 0.00 C ATOM 870 CG GLN A 480 -9.069 -0.705 -14.397 1.00 0.00 C ATOM 871 CD GLN A 480 -9.234 0.164 -15.646 1.00 0.00 C ATOM 872 OE1 GLN A 480 -8.776 1.299 -15.721 1.00 0.00 O ATOM 873 NE2 GLN A 480 -9.892 -0.324 -16.677 1.00 0.00 N ATOM 0 H GLN A 480 -7.702 -0.399 -11.034 1.00 0.00 H new ATOM 0 HA GLN A 480 -7.694 -2.664 -12.894 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -7.289 0.264 -13.675 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -6.981 -1.103 -14.727 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -9.410 -1.718 -14.613 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -9.704 -0.318 -13.600 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -10.281 -1.266 -16.634 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -10.013 0.240 -17.518 1.00 0.00 H new ATOM 882 N PRO A 481 -5.061 -2.570 -12.913 1.00 0.00 N ATOM 883 CA PRO A 481 -3.616 -2.631 -12.664 1.00 0.00 C ATOM 884 C PRO A 481 -2.832 -1.464 -13.290 1.00 0.00 C ATOM 885 O PRO A 481 -1.765 -1.106 -12.794 1.00 0.00 O ATOM 886 CB PRO A 481 -3.166 -3.983 -13.222 1.00 0.00 C ATOM 887 CG PRO A 481 -4.174 -4.265 -14.334 1.00 0.00 C ATOM 888 CD PRO A 481 -5.468 -3.662 -13.791 1.00 0.00 C ATOM 0 HA PRO A 481 -3.411 -2.536 -11.598 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -2.147 -3.939 -13.606 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -3.185 -4.759 -12.457 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -3.877 -3.801 -15.274 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -4.276 -5.333 -14.524 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.099 -3.297 -14.601 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -6.048 -4.407 -13.246 1.00 0.00 H new ATOM 896 N GLU A 482 -3.355 -0.817 -14.337 1.00 0.00 N ATOM 897 CA GLU A 482 -2.731 0.368 -14.958 1.00 0.00 C ATOM 898 C GLU A 482 -2.657 1.573 -13.998 1.00 0.00 C ATOM 899 O GLU A 482 -1.730 2.383 -14.072 1.00 0.00 O ATOM 900 CB GLU A 482 -3.519 0.767 -16.219 1.00 0.00 C ATOM 901 CG GLU A 482 -3.520 -0.294 -17.329 1.00 0.00 C ATOM 902 CD GLU A 482 -2.113 -0.533 -17.913 1.00 0.00 C ATOM 903 OE1 GLU A 482 -1.658 0.273 -18.761 1.00 0.00 O ATOM 904 OE2 GLU A 482 -1.453 -1.532 -17.536 1.00 0.00 O ATOM 0 H GLU A 482 -4.228 -1.098 -14.784 1.00 0.00 H new ATOM 0 HA GLU A 482 -1.708 0.094 -15.216 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -4.550 0.980 -15.936 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -3.100 1.691 -16.617 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -3.910 -1.231 -16.932 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -4.194 0.019 -18.127 1.00 0.00 H new ATOM 911 N GLN A 483 -3.611 1.677 -13.068 1.00 0.00 N ATOM 912 CA GLN A 483 -3.718 2.765 -12.085 1.00 0.00 C ATOM 913 C GLN A 483 -2.600 2.721 -11.026 1.00 0.00 C ATOM 914 O GLN A 483 -2.245 3.756 -10.459 1.00 0.00 O ATOM 915 CB GLN A 483 -5.089 2.677 -11.400 1.00 0.00 C ATOM 916 CG GLN A 483 -6.283 2.826 -12.366 1.00 0.00 C ATOM 917 CD GLN A 483 -7.607 2.351 -11.764 1.00 0.00 C ATOM 918 OE1 GLN A 483 -7.679 1.764 -10.694 1.00 0.00 O ATOM 919 NE2 GLN A 483 -8.717 2.541 -12.437 1.00 0.00 N ATOM 0 H GLN A 483 -4.355 0.985 -12.974 1.00 0.00 H new ATOM 0 HA GLN A 483 -3.610 3.710 -12.617 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.167 1.718 -10.887 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.153 3.453 -10.637 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -6.378 3.872 -12.657 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -6.080 2.259 -13.275 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -8.693 3.027 -13.333 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -9.604 2.203 -12.064 1.00 0.00 H new ATOM 928 N VAL A 484 -2.012 1.542 -10.781 1.00 0.00 N ATOM 929 CA VAL A 484 -0.888 1.350 -9.846 1.00 0.00 C ATOM 930 C VAL A 484 0.320 2.190 -10.262 1.00 0.00 C ATOM 931 O VAL A 484 0.870 2.924 -9.442 1.00 0.00 O ATOM 932 CB VAL A 484 -0.525 -0.148 -9.746 1.00 0.00 C ATOM 933 CG1 VAL A 484 0.798 -0.435 -9.030 1.00 0.00 C ATOM 934 CG2 VAL A 484 -1.626 -0.908 -9.000 1.00 0.00 C ATOM 0 H VAL A 484 -2.308 0.677 -11.234 1.00 0.00 H new ATOM 0 HA VAL A 484 -1.197 1.691 -8.858 1.00 0.00 H new ATOM 0 HB VAL A 484 -0.421 -0.480 -10.779 1.00 0.00 H new ATOM 0 HG11 VAL A 484 0.973 -1.511 -9.006 1.00 0.00 H new ATOM 0 HG12 VAL A 484 1.614 0.053 -9.563 1.00 0.00 H new ATOM 0 HG13 VAL A 484 0.750 -0.052 -8.011 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -1.360 -1.963 -8.935 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -1.734 -0.499 -7.996 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -2.568 -0.804 -9.538 1.00 0.00 H new ATOM 944 N GLN A 485 0.695 2.152 -11.545 1.00 0.00 N ATOM 945 CA GLN A 485 1.802 2.947 -12.078 1.00 0.00 C ATOM 946 C GLN A 485 1.545 4.458 -11.945 1.00 0.00 C ATOM 947 O GLN A 485 2.468 5.205 -11.616 1.00 0.00 O ATOM 948 CB GLN A 485 2.040 2.531 -13.540 1.00 0.00 C ATOM 949 CG GLN A 485 3.216 3.253 -14.221 1.00 0.00 C ATOM 950 CD GLN A 485 4.567 3.050 -13.529 1.00 0.00 C ATOM 951 OE1 GLN A 485 4.870 2.010 -12.957 1.00 0.00 O ATOM 952 NE2 GLN A 485 5.439 4.038 -13.549 1.00 0.00 N ATOM 0 H GLN A 485 0.237 1.567 -12.244 1.00 0.00 H new ATOM 0 HA GLN A 485 2.701 2.750 -11.494 1.00 0.00 H new ATOM 0 HB2 GLN A 485 2.219 1.456 -13.575 1.00 0.00 H new ATOM 0 HB3 GLN A 485 1.132 2.721 -14.112 1.00 0.00 H new ATOM 0 HG2 GLN A 485 3.293 2.905 -15.251 1.00 0.00 H new ATOM 0 HG3 GLN A 485 2.998 4.320 -14.260 1.00 0.00 H new ATOM 0 HE21 GLN A 485 5.208 4.913 -14.020 1.00 0.00 H new ATOM 0 HE22 GLN A 485 6.345 3.928 -13.094 1.00 0.00 H new ATOM 961 N ILE A 486 0.299 4.906 -12.145 1.00 0.00 N ATOM 962 CA ILE A 486 -0.101 6.314 -11.977 1.00 0.00 C ATOM 963 C ILE A 486 0.112 6.754 -10.522 1.00 0.00 C ATOM 964 O ILE A 486 0.846 7.712 -10.281 1.00 0.00 O ATOM 965 CB ILE A 486 -1.561 6.553 -12.442 1.00 0.00 C ATOM 966 CG1 ILE A 486 -1.747 6.127 -13.919 1.00 0.00 C ATOM 967 CG2 ILE A 486 -1.949 8.034 -12.256 1.00 0.00 C ATOM 968 CD1 ILE A 486 -3.187 6.241 -14.442 1.00 0.00 C ATOM 0 H ILE A 486 -0.469 4.298 -12.431 1.00 0.00 H new ATOM 0 HA ILE A 486 0.534 6.929 -12.615 1.00 0.00 H new ATOM 0 HB ILE A 486 -2.219 5.940 -11.826 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -1.098 6.740 -14.544 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -1.415 5.095 -14.030 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -2.976 8.185 -12.587 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -1.864 8.303 -11.203 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -1.282 8.662 -12.846 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -3.222 5.922 -15.484 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -3.842 5.606 -13.846 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -3.520 7.276 -14.368 1.00 0.00 H new ATOM 980 N ALA A 487 -0.461 6.038 -9.549 1.00 0.00 N ATOM 981 CA ALA A 487 -0.353 6.378 -8.127 1.00 0.00 C ATOM 982 C ALA A 487 1.090 6.316 -7.589 1.00 0.00 C ATOM 983 O ALA A 487 1.488 7.161 -6.784 1.00 0.00 O ATOM 984 CB ALA A 487 -1.262 5.425 -7.344 1.00 0.00 C ATOM 0 H ALA A 487 -1.016 5.201 -9.727 1.00 0.00 H new ATOM 0 HA ALA A 487 -0.665 7.415 -8.000 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -1.201 5.656 -6.280 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -2.291 5.543 -7.683 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -0.941 4.397 -7.511 1.00 0.00 H new ATOM 990 N VAL A 488 1.902 5.354 -8.044 1.00 0.00 N ATOM 991 CA VAL A 488 3.338 5.296 -7.713 1.00 0.00 C ATOM 992 C VAL A 488 4.080 6.515 -8.277 1.00 0.00 C ATOM 993 O VAL A 488 4.846 7.148 -7.548 1.00 0.00 O ATOM 994 CB VAL A 488 3.960 3.969 -8.192 1.00 0.00 C ATOM 995 CG1 VAL A 488 5.490 3.938 -8.065 1.00 0.00 C ATOM 996 CG2 VAL A 488 3.425 2.797 -7.356 1.00 0.00 C ATOM 0 H VAL A 488 1.588 4.596 -8.649 1.00 0.00 H new ATOM 0 HA VAL A 488 3.442 5.328 -6.628 1.00 0.00 H new ATOM 0 HB VAL A 488 3.686 3.882 -9.243 1.00 0.00 H new ATOM 0 HG11 VAL A 488 5.865 2.978 -8.419 1.00 0.00 H new ATOM 0 HG12 VAL A 488 5.921 4.739 -8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 488 5.771 4.075 -7.021 1.00 0.00 H new ATOM 0 HG21 VAL A 488 3.873 1.867 -7.705 1.00 0.00 H new ATOM 0 HG22 VAL A 488 3.680 2.951 -6.308 1.00 0.00 H new ATOM 0 HG23 VAL A 488 2.342 2.740 -7.461 1.00 0.00 H new ATOM 1006 N ASN A 489 3.826 6.898 -9.536 1.00 0.00 N ATOM 1007 CA ASN A 489 4.448 8.064 -10.174 1.00 0.00 C ATOM 1008 C ASN A 489 4.111 9.388 -9.463 1.00 0.00 C ATOM 1009 O ASN A 489 4.997 10.205 -9.209 1.00 0.00 O ATOM 1010 CB ASN A 489 4.007 8.122 -11.648 1.00 0.00 C ATOM 1011 CG ASN A 489 4.713 9.226 -12.420 1.00 0.00 C ATOM 1012 OD1 ASN A 489 5.933 9.318 -12.446 1.00 0.00 O ATOM 1013 ND2 ASN A 489 3.980 10.104 -13.068 1.00 0.00 N ATOM 0 H ASN A 489 3.176 6.401 -10.145 1.00 0.00 H new ATOM 0 HA ASN A 489 5.529 7.944 -10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 489 4.210 7.162 -12.123 1.00 0.00 H new ATOM 0 HB3 ASN A 489 2.930 8.280 -11.696 1.00 0.00 H new ATOM 0 HD21 ASN A 489 4.429 10.857 -13.589 1.00 0.00 H new ATOM 0 HD22 ASN A 489 2.963 10.032 -13.050 1.00 0.00 H new ATOM 1020 N THR A 490 2.837 9.600 -9.126 1.00 0.00 N ATOM 1021 CA THR A 490 2.340 10.836 -8.494 1.00 0.00 C ATOM 1022 C THR A 490 2.805 11.011 -7.043 1.00 0.00 C ATOM 1023 O THR A 490 2.893 12.141 -6.555 1.00 0.00 O ATOM 1024 CB THR A 490 0.805 10.903 -8.565 1.00 0.00 C ATOM 1025 OG1 THR A 490 0.206 9.750 -8.025 1.00 0.00 O ATOM 1026 CG2 THR A 490 0.332 11.064 -10.013 1.00 0.00 C ATOM 0 H THR A 490 2.104 8.908 -9.285 1.00 0.00 H new ATOM 0 HA THR A 490 2.772 11.659 -9.064 1.00 0.00 H new ATOM 0 HB THR A 490 0.504 11.769 -7.976 1.00 0.00 H new ATOM 0 HG1 THR A 490 0.889 9.203 -7.582 1.00 0.00 H new ATOM 0 HG21 THR A 490 -0.757 11.109 -10.037 1.00 0.00 H new ATOM 0 HG22 THR A 490 0.743 11.984 -10.430 1.00 0.00 H new ATOM 0 HG23 THR A 490 0.673 10.214 -10.604 1.00 0.00 H new ATOM 1034 N SER A 491 3.169 9.919 -6.361 1.00 0.00 N ATOM 1035 CA SER A 491 3.582 9.918 -4.946 1.00 0.00 C ATOM 1036 C SER A 491 5.083 10.117 -4.713 1.00 0.00 C ATOM 1037 O SER A 491 5.497 10.307 -3.568 1.00 0.00 O ATOM 1038 CB SER A 491 3.130 8.629 -4.265 1.00 0.00 C ATOM 1039 OG SER A 491 1.729 8.527 -4.390 1.00 0.00 O ATOM 0 H SER A 491 3.186 8.990 -6.783 1.00 0.00 H new ATOM 0 HA SER A 491 3.091 10.786 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 491 3.615 7.767 -4.724 1.00 0.00 H new ATOM 0 HB3 SER A 491 3.418 8.635 -3.214 1.00 0.00 H new ATOM 0 HG SER A 491 1.508 8.053 -5.219 1.00 0.00 H new ATOM 1045 N LYS A 492 5.903 10.139 -5.775 1.00 0.00 N ATOM 1046 CA LYS A 492 7.348 10.470 -5.718 1.00 0.00 C ATOM 1047 C LYS A 492 7.660 11.845 -5.097 1.00 0.00 C ATOM 1048 O LYS A 492 8.800 12.093 -4.700 1.00 0.00 O ATOM 1049 CB LYS A 492 7.968 10.391 -7.125 1.00 0.00 C ATOM 1050 CG LYS A 492 7.966 8.966 -7.700 1.00 0.00 C ATOM 1051 CD LYS A 492 8.746 8.848 -9.017 1.00 0.00 C ATOM 1052 CE LYS A 492 8.155 9.738 -10.118 1.00 0.00 C ATOM 1053 NZ LYS A 492 8.833 9.525 -11.421 1.00 0.00 N ATOM 0 H LYS A 492 5.581 9.924 -6.719 1.00 0.00 H new ATOM 0 HA LYS A 492 7.792 9.726 -5.057 1.00 0.00 H new ATOM 0 HB2 LYS A 492 7.417 11.049 -7.797 1.00 0.00 H new ATOM 0 HB3 LYS A 492 8.993 10.760 -7.086 1.00 0.00 H new ATOM 0 HG2 LYS A 492 8.397 8.284 -6.967 1.00 0.00 H new ATOM 0 HG3 LYS A 492 6.936 8.648 -7.864 1.00 0.00 H new ATOM 0 HD2 LYS A 492 9.787 9.124 -8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 492 8.742 7.810 -9.349 1.00 0.00 H new ATOM 0 HE2 LYS A 492 7.091 9.528 -10.223 1.00 0.00 H new ATOM 0 HE3 LYS A 492 8.246 10.785 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 9.412 10.358 -11.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 9.443 8.685 -11.362 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 8.120 9.383 -12.164 1.00 0.00 H new ATOM 1067 N TYR A 493 6.653 12.717 -4.992 1.00 0.00 N ATOM 1068 CA TYR A 493 6.764 14.114 -4.553 1.00 0.00 C ATOM 1069 C TYR A 493 5.805 14.461 -3.390 1.00 0.00 C ATOM 1070 O TYR A 493 5.640 15.636 -3.050 1.00 0.00 O ATOM 1071 CB TYR A 493 6.537 15.026 -5.775 1.00 0.00 C ATOM 1072 CG TYR A 493 7.235 14.575 -7.051 1.00 0.00 C ATOM 1073 CD1 TYR A 493 8.642 14.596 -7.134 1.00 0.00 C ATOM 1074 CD2 TYR A 493 6.477 14.088 -8.135 1.00 0.00 C ATOM 1075 CE1 TYR A 493 9.289 14.131 -8.297 1.00 0.00 C ATOM 1076 CE2 TYR A 493 7.120 13.632 -9.303 1.00 0.00 C ATOM 1077 CZ TYR A 493 8.530 13.653 -9.387 1.00 0.00 C ATOM 1078 OH TYR A 493 9.160 13.213 -10.512 1.00 0.00 O ATOM 0 H TYR A 493 5.693 12.458 -5.221 1.00 0.00 H new ATOM 0 HA TYR A 493 7.764 14.275 -4.150 1.00 0.00 H new ATOM 0 HB2 TYR A 493 5.466 15.091 -5.968 1.00 0.00 H new ATOM 0 HB3 TYR A 493 6.878 16.031 -5.528 1.00 0.00 H new ATOM 0 HD1 TYR A 493 9.225 14.969 -6.305 1.00 0.00 H new ATOM 0 HD2 TYR A 493 5.399 14.064 -8.070 1.00 0.00 H new ATOM 0 HE1 TYR A 493 10.367 14.140 -8.354 1.00 0.00 H new ATOM 0 HE2 TYR A 493 6.535 13.266 -10.134 1.00 0.00 H new ATOM 0 HH TYR A 493 8.493 12.917 -11.166 1.00 0.00 H new ATOM 1088 N ALA A 494 5.153 13.457 -2.785 1.00 0.00 N ATOM 1089 CA ALA A 494 4.256 13.614 -1.637 1.00 0.00 C ATOM 1090 C ALA A 494 4.990 14.098 -0.365 1.00 0.00 C ATOM 1091 O ALA A 494 6.195 13.881 -0.198 1.00 0.00 O ATOM 1092 CB ALA A 494 3.549 12.272 -1.398 1.00 0.00 C ATOM 0 H ALA A 494 5.239 12.488 -3.091 1.00 0.00 H new ATOM 0 HA ALA A 494 3.527 14.392 -1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 494 2.874 12.363 -0.547 1.00 0.00 H new ATOM 0 HB2 ALA A 494 2.979 11.998 -2.286 1.00 0.00 H new ATOM 0 HB3 ALA A 494 4.292 11.501 -1.192 1.00 0.00 H new ATOM 1098 N GLU A 495 4.248 14.728 0.553 1.00 0.00 N ATOM 1099 CA GLU A 495 4.787 15.374 1.770 1.00 0.00 C ATOM 1100 C GLU A 495 4.050 14.999 3.077 1.00 0.00 C ATOM 1101 O GLU A 495 4.521 15.341 4.165 1.00 0.00 O ATOM 1102 CB GLU A 495 4.794 16.905 1.590 1.00 0.00 C ATOM 1103 CG GLU A 495 5.695 17.381 0.441 1.00 0.00 C ATOM 1104 CD GLU A 495 5.782 18.918 0.410 1.00 0.00 C ATOM 1105 OE1 GLU A 495 4.892 19.574 -0.188 1.00 0.00 O ATOM 1106 OE2 GLU A 495 6.747 19.491 0.979 1.00 0.00 O ATOM 0 H GLU A 495 3.234 14.808 0.475 1.00 0.00 H new ATOM 0 HA GLU A 495 5.802 14.993 1.884 1.00 0.00 H new ATOM 0 HB2 GLU A 495 3.775 17.246 1.408 1.00 0.00 H new ATOM 0 HB3 GLU A 495 5.125 17.371 2.518 1.00 0.00 H new ATOM 0 HG2 GLU A 495 6.693 16.959 0.558 1.00 0.00 H new ATOM 0 HG3 GLU A 495 5.303 17.016 -0.508 1.00 0.00 H new ATOM 1113 N SER A 496 2.936 14.259 2.988 1.00 0.00 N ATOM 1114 CA SER A 496 2.088 13.850 4.133 1.00 0.00 C ATOM 1115 C SER A 496 1.722 12.354 4.123 1.00 0.00 C ATOM 1116 O SER A 496 0.987 11.887 4.994 1.00 0.00 O ATOM 1117 CB SER A 496 0.804 14.696 4.170 1.00 0.00 C ATOM 1118 OG SER A 496 1.098 16.085 4.247 1.00 0.00 O ATOM 0 H SER A 496 2.584 13.915 2.095 1.00 0.00 H new ATOM 0 HA SER A 496 2.683 14.023 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 496 0.210 14.497 3.278 1.00 0.00 H new ATOM 0 HB3 SER A 496 0.198 14.403 5.028 1.00 0.00 H new ATOM 0 HG SER A 496 0.262 16.596 4.267 1.00 0.00 H new ATOM 1124 N TYR A 497 2.224 11.606 3.136 1.00 0.00 N ATOM 1125 CA TYR A 497 2.049 10.164 2.921 1.00 0.00 C ATOM 1126 C TYR A 497 3.124 9.652 1.936 1.00 0.00 C ATOM 1127 O TYR A 497 3.870 10.447 1.353 1.00 0.00 O ATOM 1128 CB TYR A 497 0.634 9.881 2.373 1.00 0.00 C ATOM 1129 CG TYR A 497 0.368 10.443 0.983 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -0.035 11.784 0.824 1.00 0.00 C ATOM 1131 CD2 TYR A 497 0.555 9.628 -0.151 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -0.226 12.318 -0.465 1.00 0.00 C ATOM 1133 CE2 TYR A 497 0.368 10.160 -1.442 1.00 0.00 C ATOM 1134 CZ TYR A 497 -0.017 11.509 -1.603 1.00 0.00 C ATOM 1135 OH TYR A 497 -0.187 12.033 -2.848 1.00 0.00 O ATOM 0 H TYR A 497 2.808 12.023 2.411 1.00 0.00 H new ATOM 0 HA TYR A 497 2.163 9.640 3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 497 0.476 8.803 2.351 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -0.099 10.296 3.065 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -0.198 12.404 1.693 1.00 0.00 H new ATOM 0 HD2 TYR A 497 0.842 8.594 -0.030 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -0.532 13.347 -0.583 1.00 0.00 H new ATOM 0 HE2 TYR A 497 0.519 9.535 -2.310 1.00 0.00 H new ATOM 0 HH TYR A 497 -0.003 11.345 -3.521 1.00 0.00 H new ATOM 1145 N ARG A 498 3.187 8.333 1.712 1.00 0.00 N ATOM 1146 CA ARG A 498 4.002 7.677 0.671 1.00 0.00 C ATOM 1147 C ARG A 498 3.311 6.411 0.154 1.00 0.00 C ATOM 1148 O ARG A 498 2.616 5.734 0.913 1.00 0.00 O ATOM 1149 CB ARG A 498 5.396 7.376 1.259 1.00 0.00 C ATOM 1150 CG ARG A 498 6.402 6.865 0.212 1.00 0.00 C ATOM 1151 CD ARG A 498 7.836 6.829 0.757 1.00 0.00 C ATOM 1152 NE ARG A 498 8.000 5.849 1.851 1.00 0.00 N ATOM 1153 CZ ARG A 498 9.031 5.754 2.672 1.00 0.00 C ATOM 1154 NH1 ARG A 498 10.061 6.548 2.592 1.00 0.00 N ATOM 1155 NH2 ARG A 498 9.051 4.842 3.601 1.00 0.00 N ATOM 0 H ARG A 498 2.654 7.665 2.269 1.00 0.00 H new ATOM 0 HA ARG A 498 4.116 8.338 -0.188 1.00 0.00 H new ATOM 0 HB2 ARG A 498 5.791 8.281 1.721 1.00 0.00 H new ATOM 0 HB3 ARG A 498 5.296 6.632 2.050 1.00 0.00 H new ATOM 0 HG2 ARG A 498 6.112 5.865 -0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 498 6.365 7.507 -0.668 1.00 0.00 H new ATOM 0 HD2 ARG A 498 8.523 6.583 -0.053 1.00 0.00 H new ATOM 0 HD3 ARG A 498 8.109 7.821 1.118 1.00 0.00 H new ATOM 0 HE ARG A 498 7.242 5.180 1.986 1.00 0.00 H new ATOM 0 HH11 ARG A 498 10.090 7.275 1.877 1.00 0.00 H new ATOM 0 HH12 ARG A 498 10.838 6.443 3.245 1.00 0.00 H new ATOM 0 HH21 ARG A 498 8.268 4.196 3.698 1.00 0.00 H new ATOM 0 HH22 ARG A 498 9.850 4.774 4.232 1.00 0.00 H new ATOM 1169 N ILE A 499 3.517 6.083 -1.125 1.00 0.00 N ATOM 1170 CA ILE A 499 2.947 4.911 -1.815 1.00 0.00 C ATOM 1171 C ILE A 499 4.040 4.156 -2.585 1.00 0.00 C ATOM 1172 O ILE A 499 4.950 4.758 -3.161 1.00 0.00 O ATOM 1173 CB ILE A 499 1.795 5.359 -2.752 1.00 0.00 C ATOM 1174 CG1 ILE A 499 0.576 5.783 -1.905 1.00 0.00 C ATOM 1175 CG2 ILE A 499 1.367 4.273 -3.758 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -0.531 6.505 -2.674 1.00 0.00 C ATOM 0 H ILE A 499 4.108 6.646 -1.736 1.00 0.00 H new ATOM 0 HA ILE A 499 2.535 4.225 -1.076 1.00 0.00 H new ATOM 0 HB ILE A 499 2.174 6.198 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 499 0.152 4.894 -1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 499 0.921 6.433 -1.101 1.00 0.00 H new ATOM 0 HG21 ILE A 499 0.558 4.653 -4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 499 2.216 4.006 -4.388 1.00 0.00 H new ATOM 0 HG23 ILE A 499 1.024 3.391 -3.217 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -1.341 6.761 -1.991 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -0.130 7.416 -3.119 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -0.912 5.854 -3.461 1.00 0.00 H new ATOM 1188 N GLN A 500 3.907 2.831 -2.625 1.00 0.00 N ATOM 1189 CA GLN A 500 4.695 1.890 -3.428 1.00 0.00 C ATOM 1190 C GLN A 500 3.815 0.694 -3.848 1.00 0.00 C ATOM 1191 O GLN A 500 2.688 0.559 -3.368 1.00 0.00 O ATOM 1192 CB GLN A 500 5.942 1.466 -2.626 1.00 0.00 C ATOM 1193 CG GLN A 500 5.637 0.695 -1.327 1.00 0.00 C ATOM 1194 CD GLN A 500 6.855 0.549 -0.415 1.00 0.00 C ATOM 1195 OE1 GLN A 500 8.003 0.733 -0.802 1.00 0.00 O ATOM 1196 NE2 GLN A 500 6.658 0.242 0.847 1.00 0.00 N ATOM 0 H GLN A 500 3.202 2.354 -2.063 1.00 0.00 H new ATOM 0 HA GLN A 500 5.041 2.362 -4.348 1.00 0.00 H new ATOM 0 HB2 GLN A 500 6.573 0.845 -3.262 1.00 0.00 H new ATOM 0 HB3 GLN A 500 6.518 2.357 -2.377 1.00 0.00 H new ATOM 0 HG2 GLN A 500 4.844 1.209 -0.784 1.00 0.00 H new ATOM 0 HG3 GLN A 500 5.259 -0.296 -1.580 1.00 0.00 H new ATOM 0 HE21 GLN A 500 5.711 0.084 1.192 1.00 0.00 H new ATOM 0 HE22 GLN A 500 7.452 0.161 1.482 1.00 0.00 H new ATOM 1205 N THR A 501 4.283 -0.183 -4.741 1.00 0.00 N ATOM 1206 CA THR A 501 3.553 -1.430 -5.059 1.00 0.00 C ATOM 1207 C THR A 501 3.661 -2.456 -3.924 1.00 0.00 C ATOM 1208 O THR A 501 4.562 -2.385 -3.080 1.00 0.00 O ATOM 1209 CB THR A 501 4.020 -2.075 -6.376 1.00 0.00 C ATOM 1210 OG1 THR A 501 5.287 -2.668 -6.229 1.00 0.00 O ATOM 1211 CG2 THR A 501 4.113 -1.081 -7.532 1.00 0.00 C ATOM 0 H THR A 501 5.155 -0.062 -5.256 1.00 0.00 H new ATOM 0 HA THR A 501 2.510 -1.135 -5.178 1.00 0.00 H new ATOM 0 HB THR A 501 3.262 -2.822 -6.610 1.00 0.00 H new ATOM 0 HG1 THR A 501 5.560 -3.072 -7.079 1.00 0.00 H new ATOM 0 HG21 THR A 501 4.448 -1.599 -8.431 1.00 0.00 H new ATOM 0 HG22 THR A 501 3.133 -0.639 -7.711 1.00 0.00 H new ATOM 0 HG23 THR A 501 4.825 -0.295 -7.280 1.00 0.00 H new ATOM 1219 N TYR A 502 2.781 -3.463 -3.921 1.00 0.00 N ATOM 1220 CA TYR A 502 2.897 -4.630 -3.035 1.00 0.00 C ATOM 1221 C TYR A 502 4.262 -5.337 -3.179 1.00 0.00 C ATOM 1222 O TYR A 502 4.885 -5.713 -2.184 1.00 0.00 O ATOM 1223 CB TYR A 502 1.737 -5.588 -3.349 1.00 0.00 C ATOM 1224 CG TYR A 502 1.590 -6.750 -2.386 1.00 0.00 C ATOM 1225 CD1 TYR A 502 2.347 -7.927 -2.560 1.00 0.00 C ATOM 1226 CD2 TYR A 502 0.671 -6.659 -1.322 1.00 0.00 C ATOM 1227 CE1 TYR A 502 2.186 -9.009 -1.671 1.00 0.00 C ATOM 1228 CE2 TYR A 502 0.506 -7.739 -0.436 1.00 0.00 C ATOM 1229 CZ TYR A 502 1.257 -8.920 -0.611 1.00 0.00 C ATOM 1230 OH TYR A 502 1.048 -9.980 0.219 1.00 0.00 O ATOM 0 H TYR A 502 1.966 -3.493 -4.534 1.00 0.00 H new ATOM 0 HA TYR A 502 2.839 -4.299 -1.998 1.00 0.00 H new ATOM 0 HB2 TYR A 502 0.807 -5.020 -3.354 1.00 0.00 H new ATOM 0 HB3 TYR A 502 1.874 -5.984 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 502 3.051 -8.000 -3.376 1.00 0.00 H new ATOM 0 HD2 TYR A 502 0.092 -5.758 -1.186 1.00 0.00 H new ATOM 0 HE1 TYR A 502 2.773 -9.906 -1.800 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -0.197 -7.664 0.380 1.00 0.00 H new ATOM 0 HH TYR A 502 0.376 -9.741 0.892 1.00 0.00 H new ATOM 1240 N ALA A 503 4.762 -5.478 -4.413 1.00 0.00 N ATOM 1241 CA ALA A 503 6.051 -6.108 -4.699 1.00 0.00 C ATOM 1242 C ALA A 503 7.257 -5.263 -4.235 1.00 0.00 C ATOM 1243 O ALA A 503 8.225 -5.816 -3.711 1.00 0.00 O ATOM 1244 CB ALA A 503 6.124 -6.396 -6.204 1.00 0.00 C ATOM 0 H ALA A 503 4.275 -5.153 -5.248 1.00 0.00 H new ATOM 0 HA ALA A 503 6.112 -7.035 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 503 7.079 -6.866 -6.439 1.00 0.00 H new ATOM 0 HB2 ALA A 503 5.311 -7.065 -6.486 1.00 0.00 H new ATOM 0 HB3 ALA A 503 6.034 -5.462 -6.758 1.00 0.00 H new ATOM 1250 N GLU A 504 7.202 -3.933 -4.369 1.00 0.00 N ATOM 1251 CA GLU A 504 8.232 -3.026 -3.839 1.00 0.00 C ATOM 1252 C GLU A 504 8.297 -3.075 -2.306 1.00 0.00 C ATOM 1253 O GLU A 504 9.394 -3.142 -1.749 1.00 0.00 O ATOM 1254 CB GLU A 504 7.975 -1.583 -4.304 1.00 0.00 C ATOM 1255 CG GLU A 504 8.359 -1.331 -5.770 1.00 0.00 C ATOM 1256 CD GLU A 504 9.887 -1.320 -5.970 1.00 0.00 C ATOM 1257 OE1 GLU A 504 10.528 -0.268 -5.726 1.00 0.00 O ATOM 1258 OE2 GLU A 504 10.462 -2.359 -6.381 1.00 0.00 O ATOM 0 H GLU A 504 6.441 -3.452 -4.849 1.00 0.00 H new ATOM 0 HA GLU A 504 9.192 -3.363 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 504 6.919 -1.349 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 504 8.537 -0.900 -3.667 1.00 0.00 H new ATOM 0 HG2 GLU A 504 7.916 -2.103 -6.399 1.00 0.00 H new ATOM 0 HG3 GLU A 504 7.943 -0.377 -6.095 1.00 0.00 H new ATOM 1265 N TYR A 505 7.145 -3.122 -1.624 1.00 0.00 N ATOM 1266 CA TYR A 505 7.072 -3.340 -0.174 1.00 0.00 C ATOM 1267 C TYR A 505 7.781 -4.642 0.245 1.00 0.00 C ATOM 1268 O TYR A 505 8.663 -4.608 1.104 1.00 0.00 O ATOM 1269 CB TYR A 505 5.600 -3.304 0.275 1.00 0.00 C ATOM 1270 CG TYR A 505 5.336 -3.946 1.626 1.00 0.00 C ATOM 1271 CD1 TYR A 505 5.659 -3.266 2.816 1.00 0.00 C ATOM 1272 CD2 TYR A 505 4.799 -5.248 1.684 1.00 0.00 C ATOM 1273 CE1 TYR A 505 5.441 -3.884 4.064 1.00 0.00 C ATOM 1274 CE2 TYR A 505 4.589 -5.871 2.929 1.00 0.00 C ATOM 1275 CZ TYR A 505 4.898 -5.186 4.123 1.00 0.00 C ATOM 1276 OH TYR A 505 4.677 -5.783 5.327 1.00 0.00 O ATOM 0 H TYR A 505 6.233 -3.009 -2.066 1.00 0.00 H new ATOM 0 HA TYR A 505 7.605 -2.536 0.333 1.00 0.00 H new ATOM 0 HB2 TYR A 505 5.270 -2.266 0.310 1.00 0.00 H new ATOM 0 HB3 TYR A 505 4.992 -3.807 -0.477 1.00 0.00 H new ATOM 0 HD1 TYR A 505 6.074 -2.270 2.772 1.00 0.00 H new ATOM 0 HD2 TYR A 505 4.548 -5.769 0.772 1.00 0.00 H new ATOM 0 HE1 TYR A 505 5.690 -3.361 4.976 1.00 0.00 H new ATOM 0 HE2 TYR A 505 4.191 -6.874 2.970 1.00 0.00 H new ATOM 0 HH TYR A 505 4.299 -6.676 5.185 1.00 0.00 H new