USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 535 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 490 THR OG1 : rot -27:sc= 0.435 USER MOD Set 1.2: A 497 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 442 HIS : no HD1:sc= -13.5! C(o=-13!,f=-14!) USER MOD Set 2.2: A 473 SER OG : rot 180:sc= 0.0368 USER MOD Set 3.1: A 439 HIS : no HD1:sc= -0.363 X(o=-0.36,f=-0.22) USER MOD Set 3.2: A 477 SER OG : rot 180:sc= 0 USER MOD Single : A 444 THR OG1 : rot 180:sc= 0.0215 USER MOD Single : A 447 LYS NZ :NH3+ -153:sc= -0.0856 (180deg=-0.644) USER MOD Single : A 450 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 451 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 452 SER OG : rot 180:sc= 0 USER MOD Single : A 455 TYR OH : rot 180:sc= 0 USER MOD Single : A 456 GLN : amide:sc= 0 X(o=0,f=-0.29) USER MOD Single : A 459 SER OG : rot 180:sc= 0 USER MOD Single : A 463 ASN : amide:sc= -0.127 K(o=-0.13,f=-3.1!) USER MOD Single : A 465 GLN :FLIP amide:sc= -0.0326 F(o=-0.71,f=-0.033) 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 479 SER OG : rot 180:sc= 0 USER MOD Single : A 480 GLN : amide:sc= 0 X(o=0,f=-0.44) USER MOD Single : A 483 GLN : amide:sc= -0.236 K(o=-0.24,f=-2.1) USER MOD Single : A 485 GLN :FLIP amide:sc= -0.479 F(o=-1.1,f=-0.48) USER MOD Single : A 489 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 491 SER OG : rot 43:sc= 0.56 USER MOD Single : A 492 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 493 TYR OH : rot 180:sc= 0 USER MOD Single : A 496 SER OG : rot 180:sc= -0.0713 USER MOD Single : A 500 GLN : amide:sc= -0.067 X(o=-0.067,f=0) USER MOD Single : A 501 THR OG1 : rot 180:sc= -1.09 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 207 N HIS A 439 -6.000 8.843 6.406 1.00 0.00 N ATOM 208 CA HIS A 439 -5.128 8.070 5.528 1.00 0.00 C ATOM 209 C HIS A 439 -4.619 6.817 6.234 1.00 0.00 C ATOM 210 O HIS A 439 -4.358 5.796 5.598 1.00 0.00 O ATOM 211 CB HIS A 439 -3.948 8.925 5.066 1.00 0.00 C ATOM 212 CG HIS A 439 -3.449 9.873 6.112 1.00 0.00 C ATOM 213 ND1 HIS A 439 -3.988 11.127 6.310 1.00 0.00 N ATOM 214 CD2 HIS A 439 -2.455 9.745 7.021 1.00 0.00 C ATOM 215 CE1 HIS A 439 -3.347 11.729 7.295 1.00 0.00 C ATOM 216 NE2 HIS A 439 -2.412 10.912 7.744 1.00 0.00 N ATOM 0 HA HIS A 439 -5.708 7.764 4.657 1.00 0.00 H new ATOM 0 HB2 HIS A 439 -3.132 8.269 4.763 1.00 0.00 H new ATOM 0 HB3 HIS A 439 -4.245 9.493 4.184 1.00 0.00 H new ATOM 0 HD2 HIS A 439 -1.815 8.885 7.153 1.00 0.00 H new ATOM 0 HE1 HIS A 439 -3.553 12.721 7.670 1.00 0.00 H new ATOM 0 HE2 HIS A 439 -1.763 11.115 8.504 1.00 0.00 H new ATOM 225 N VAL A 440 -4.479 6.903 7.553 1.00 0.00 N ATOM 226 CA VAL A 440 -4.001 5.776 8.346 1.00 0.00 C ATOM 227 C VAL A 440 -5.070 4.696 8.465 1.00 0.00 C ATOM 228 O VAL A 440 -6.229 4.984 8.765 1.00 0.00 O ATOM 229 CB VAL A 440 -3.578 6.223 9.758 1.00 0.00 C ATOM 230 CG1 VAL A 440 -3.133 5.027 10.586 1.00 0.00 C ATOM 231 CG2 VAL A 440 -2.475 7.267 9.679 1.00 0.00 C ATOM 0 H VAL A 440 -4.690 7.741 8.095 1.00 0.00 H new ATOM 0 HA VAL A 440 -3.133 5.368 7.827 1.00 0.00 H new ATOM 0 HB VAL A 440 -4.439 6.675 10.250 1.00 0.00 H new ATOM 0 HG11 VAL A 440 -2.838 5.362 11.580 1.00 0.00 H new ATOM 0 HG12 VAL A 440 -3.956 4.317 10.672 1.00 0.00 H new ATOM 0 HG13 VAL A 440 -2.286 4.543 10.100 1.00 0.00 H new ATOM 0 HG21 VAL A 440 -2.189 7.571 10.686 1.00 0.00 H new ATOM 0 HG22 VAL A 440 -1.610 6.844 9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 440 -2.834 8.135 9.126 1.00 0.00 H new ATOM 241 N LEU A 441 -4.672 3.450 8.229 1.00 0.00 N ATOM 242 CA LEU A 441 -5.596 2.324 8.310 1.00 0.00 C ATOM 243 C LEU A 441 -5.124 1.306 9.344 1.00 0.00 C ATOM 244 O LEU A 441 -3.923 1.116 9.540 1.00 0.00 O ATOM 245 CB LEU A 441 -5.734 1.653 6.943 1.00 0.00 C ATOM 246 CG LEU A 441 -5.912 2.592 5.749 1.00 0.00 C ATOM 247 CD1 LEU A 441 -5.557 1.880 4.453 1.00 0.00 C ATOM 248 CD2 LEU A 441 -7.338 3.121 5.695 1.00 0.00 C ATOM 0 H LEU A 441 -3.716 3.194 7.980 1.00 0.00 H new ATOM 0 HA LEU A 441 -6.569 2.705 8.620 1.00 0.00 H new ATOM 0 HB2 LEU A 441 -4.849 1.041 6.770 1.00 0.00 H new ATOM 0 HB3 LEU A 441 -6.587 0.976 6.977 1.00 0.00 H new ATOM 0 HG LEU A 441 -5.236 3.438 5.872 1.00 0.00 H new ATOM 0 HD11 LEU A 441 -5.690 2.563 3.614 1.00 0.00 H new ATOM 0 HD12 LEU A 441 -4.519 1.550 4.492 1.00 0.00 H new ATOM 0 HD13 LEU A 441 -6.208 1.015 4.323 1.00 0.00 H new ATOM 0 HD21 LEU A 441 -7.447 3.787 4.839 1.00 0.00 H new ATOM 0 HD22 LEU A 441 -8.032 2.287 5.595 1.00 0.00 H new ATOM 0 HD23 LEU A 441 -7.558 3.668 6.612 1.00 0.00 H new ATOM 260 N HIS A 442 -6.077 0.652 10.001 1.00 0.00 N ATOM 261 CA HIS A 442 -5.759 -0.349 11.013 1.00 0.00 C ATOM 262 C HIS A 442 -6.068 -1.753 10.503 1.00 0.00 C ATOM 263 O HIS A 442 -7.231 -2.127 10.350 1.00 0.00 O ATOM 264 CB HIS A 442 -6.543 -0.075 12.296 1.00 0.00 C ATOM 265 CG HIS A 442 -6.053 -0.856 13.476 1.00 0.00 C ATOM 266 ND1 HIS A 442 -6.539 -2.103 13.808 1.00 0.00 N ATOM 267 CD2 HIS A 442 -5.112 -0.562 14.404 1.00 0.00 C ATOM 268 CE1 HIS A 442 -5.921 -2.541 14.890 1.00 0.00 C ATOM 269 NE2 HIS A 442 -5.049 -1.624 15.271 1.00 0.00 N ATOM 0 H HIS A 442 -7.075 0.797 9.851 1.00 0.00 H new ATOM 0 HA HIS A 442 -4.692 -0.286 11.229 1.00 0.00 H new ATOM 0 HB2 HIS A 442 -6.487 0.989 12.526 1.00 0.00 H new ATOM 0 HB3 HIS A 442 -7.594 -0.309 12.127 1.00 0.00 H new ATOM 0 HD2 HIS A 442 -4.521 0.341 14.453 1.00 0.00 H new ATOM 0 HE1 HIS A 442 -6.098 -3.487 15.380 1.00 0.00 H new ATOM 0 HE2 HIS A 442 -4.430 -1.694 16.078 1.00 0.00 H new ATOM 278 N VAL A 443 -5.019 -2.527 10.241 1.00 0.00 N ATOM 279 CA VAL A 443 -5.179 -3.890 9.749 1.00 0.00 C ATOM 280 C VAL A 443 -4.677 -4.905 10.770 1.00 0.00 C ATOM 281 O VAL A 443 -3.497 -4.918 11.122 1.00 0.00 O ATOM 282 CB VAL A 443 -4.427 -4.099 8.422 1.00 0.00 C ATOM 283 CG1 VAL A 443 -4.830 -5.419 7.781 1.00 0.00 C ATOM 284 CG2 VAL A 443 -4.685 -2.937 7.475 1.00 0.00 C ATOM 0 H VAL A 443 -4.050 -2.233 10.361 1.00 0.00 H new ATOM 0 HA VAL A 443 -6.245 -4.043 9.582 1.00 0.00 H new ATOM 0 HB VAL A 443 -3.358 -4.136 8.633 1.00 0.00 H new ATOM 0 HG11 VAL A 443 -4.288 -5.549 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 443 -4.589 -6.240 8.456 1.00 0.00 H new ATOM 0 HG13 VAL A 443 -5.902 -5.415 7.583 1.00 0.00 H new ATOM 0 HG21 VAL A 443 -4.146 -3.101 6.542 1.00 0.00 H new ATOM 0 HG22 VAL A 443 -5.753 -2.866 7.269 1.00 0.00 H new ATOM 0 HG23 VAL A 443 -4.341 -2.010 7.934 1.00 0.00 H new ATOM 294 N THR A 444 -5.581 -5.757 11.244 1.00 0.00 N ATOM 295 CA THR A 444 -5.232 -6.776 12.225 1.00 0.00 C ATOM 296 C THR A 444 -4.999 -8.126 11.557 1.00 0.00 C ATOM 297 O THR A 444 -5.946 -8.809 11.167 1.00 0.00 O ATOM 298 CB THR A 444 -6.331 -6.928 13.294 1.00 0.00 C ATOM 299 OG1 THR A 444 -7.622 -6.802 12.689 1.00 0.00 O ATOM 300 CG2 THR A 444 -6.172 -5.881 14.386 1.00 0.00 C ATOM 0 H THR A 444 -6.562 -5.761 10.963 1.00 0.00 H new ATOM 0 HA THR A 444 -4.311 -6.448 12.706 1.00 0.00 H new ATOM 0 HB THR A 444 -6.236 -7.916 13.744 1.00 0.00 H new ATOM 0 HG1 THR A 444 -8.316 -6.901 13.374 1.00 0.00 H new ATOM 0 HG21 THR A 444 -6.959 -6.008 15.129 1.00 0.00 H new ATOM 0 HG22 THR A 444 -5.199 -5.998 14.864 1.00 0.00 H new ATOM 0 HG23 THR A 444 -6.244 -4.885 13.949 1.00 0.00 H new ATOM 308 N PHE A 445 -3.732 -8.507 11.428 1.00 0.00 N ATOM 309 CA PHE A 445 -3.375 -9.777 10.806 1.00 0.00 C ATOM 310 C PHE A 445 -2.701 -10.705 11.812 1.00 0.00 C ATOM 311 O PHE A 445 -2.109 -10.267 12.799 1.00 0.00 O ATOM 312 CB PHE A 445 -2.447 -9.541 9.612 1.00 0.00 C ATOM 313 CG PHE A 445 -1.271 -8.664 9.931 1.00 0.00 C ATOM 314 CD1 PHE A 445 -0.214 -9.147 10.685 1.00 0.00 C ATOM 315 CD2 PHE A 445 -1.221 -7.356 9.476 1.00 0.00 C ATOM 316 CE1 PHE A 445 0.870 -8.342 10.981 1.00 0.00 C ATOM 317 CE2 PHE A 445 -0.140 -6.546 9.768 1.00 0.00 C ATOM 318 CZ PHE A 445 0.907 -7.040 10.521 1.00 0.00 C ATOM 0 H PHE A 445 -2.936 -7.955 11.746 1.00 0.00 H new ATOM 0 HA PHE A 445 -4.292 -10.252 10.457 1.00 0.00 H new ATOM 0 HB2 PHE A 445 -2.085 -10.502 9.248 1.00 0.00 H new ATOM 0 HB3 PHE A 445 -3.019 -9.088 8.802 1.00 0.00 H new ATOM 0 HD1 PHE A 445 -0.237 -10.165 11.046 1.00 0.00 H new ATOM 0 HD2 PHE A 445 -2.037 -6.965 8.886 1.00 0.00 H new ATOM 0 HE1 PHE A 445 1.687 -8.730 11.571 1.00 0.00 H new ATOM 0 HE2 PHE A 445 -0.114 -5.528 9.408 1.00 0.00 H new ATOM 0 HZ PHE A 445 1.753 -6.409 10.750 1.00 0.00 H new ATOM 328 N PRO A 446 -2.793 -12.019 11.558 1.00 0.00 N ATOM 329 CA PRO A 446 -2.199 -13.037 12.430 1.00 0.00 C ATOM 330 C PRO A 446 -0.676 -13.033 12.371 1.00 0.00 C ATOM 331 O PRO A 446 -0.085 -12.758 11.326 1.00 0.00 O ATOM 332 CB PRO A 446 -2.753 -14.349 11.870 1.00 0.00 C ATOM 333 CG PRO A 446 -3.059 -14.053 10.443 1.00 0.00 C ATOM 334 CD PRO A 446 -3.484 -12.611 10.401 1.00 0.00 C ATOM 0 HA PRO A 446 -2.443 -12.869 13.479 1.00 0.00 H new ATOM 0 HB2 PRO A 446 -2.026 -15.156 11.960 1.00 0.00 H new ATOM 0 HB3 PRO A 446 -3.646 -14.664 12.409 1.00 0.00 H new ATOM 0 HG2 PRO A 446 -2.185 -14.221 9.814 1.00 0.00 H new ATOM 0 HG3 PRO A 446 -3.850 -14.704 10.070 1.00 0.00 H new ATOM 0 HD2 PRO A 446 -3.188 -12.132 9.468 1.00 0.00 H new ATOM 0 HD3 PRO A 446 -4.566 -12.508 10.483 1.00 0.00 H new ATOM 342 N LYS A 447 -0.044 -13.339 13.499 1.00 0.00 N ATOM 343 CA LYS A 447 1.412 -13.373 13.576 1.00 0.00 C ATOM 344 C LYS A 447 2.001 -14.162 12.411 1.00 0.00 C ATOM 345 O LYS A 447 3.031 -13.785 11.853 1.00 0.00 O ATOM 346 CB LYS A 447 1.859 -13.992 14.902 1.00 0.00 C ATOM 347 CG LYS A 447 1.663 -15.497 14.967 1.00 0.00 C ATOM 348 CD LYS A 447 1.953 -16.037 16.358 1.00 0.00 C ATOM 349 CE LYS A 447 3.435 -16.319 16.548 1.00 0.00 C ATOM 350 NZ LYS A 447 3.918 -17.389 15.633 1.00 0.00 N ATOM 0 H LYS A 447 -0.518 -13.567 14.373 1.00 0.00 H new ATOM 0 HA LYS A 447 1.777 -12.348 13.519 1.00 0.00 H new ATOM 0 HB2 LYS A 447 2.913 -13.764 15.063 1.00 0.00 H new ATOM 0 HB3 LYS A 447 1.304 -13.526 15.716 1.00 0.00 H new ATOM 0 HG2 LYS A 447 0.639 -15.744 14.686 1.00 0.00 H new ATOM 0 HG3 LYS A 447 2.318 -15.982 14.243 1.00 0.00 H new ATOM 0 HD2 LYS A 447 1.620 -15.317 17.106 1.00 0.00 H new ATOM 0 HD3 LYS A 447 1.384 -16.952 16.520 1.00 0.00 H new ATOM 0 HE2 LYS A 447 4.004 -15.406 16.371 1.00 0.00 H new ATOM 0 HE3 LYS A 447 3.619 -16.614 17.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 447 4.736 -17.868 16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 447 3.157 -18.080 15.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 447 4.199 -16.968 14.724 1.00 0.00 H new ATOM 364 N GLU A 448 1.338 -15.256 12.048 1.00 0.00 N ATOM 365 CA GLU A 448 1.797 -16.096 10.948 1.00 0.00 C ATOM 366 C GLU A 448 2.235 -15.245 9.760 1.00 0.00 C ATOM 367 O GLU A 448 3.091 -15.652 8.974 1.00 0.00 O ATOM 368 CB GLU A 448 0.690 -17.061 10.519 1.00 0.00 C ATOM 369 CG GLU A 448 -0.414 -16.400 9.711 1.00 0.00 C ATOM 370 CD GLU A 448 -1.680 -17.234 9.662 1.00 0.00 C ATOM 371 OE1 GLU A 448 -2.011 -17.869 10.685 1.00 0.00 O ATOM 372 OE2 GLU A 448 -2.339 -17.251 8.601 1.00 0.00 O ATOM 0 H GLU A 448 0.483 -15.581 12.499 1.00 0.00 H new ATOM 0 HA GLU A 448 2.655 -16.671 11.296 1.00 0.00 H new ATOM 0 HB2 GLU A 448 1.129 -17.865 9.929 1.00 0.00 H new ATOM 0 HB3 GLU A 448 0.254 -17.519 11.407 1.00 0.00 H new ATOM 0 HG2 GLU A 448 -0.642 -15.426 10.143 1.00 0.00 H new ATOM 0 HG3 GLU A 448 -0.060 -16.224 8.695 1.00 0.00 H new ATOM 379 N TRP A 449 1.641 -14.064 9.635 1.00 0.00 N ATOM 380 CA TRP A 449 1.969 -13.156 8.542 1.00 0.00 C ATOM 381 C TRP A 449 3.400 -12.645 8.669 1.00 0.00 C ATOM 382 O TRP A 449 4.147 -13.074 9.548 1.00 0.00 O ATOM 383 CB TRP A 449 0.994 -11.977 8.521 1.00 0.00 C ATOM 384 CG TRP A 449 -0.318 -12.303 7.872 1.00 0.00 C ATOM 385 CD1 TRP A 449 -0.994 -13.487 7.941 1.00 0.00 C ATOM 386 CD2 TRP A 449 -1.109 -11.433 7.055 1.00 0.00 C ATOM 387 NE1 TRP A 449 -2.158 -13.406 7.215 1.00 0.00 N ATOM 388 CE2 TRP A 449 -2.252 -12.156 6.663 1.00 0.00 C ATOM 389 CE3 TRP A 449 -0.963 -10.114 6.618 1.00 0.00 C ATOM 390 CZ2 TRP A 449 -3.242 -11.603 5.855 1.00 0.00 C ATOM 391 CZ3 TRP A 449 -1.946 -9.566 5.815 1.00 0.00 C ATOM 392 CH2 TRP A 449 -3.074 -10.309 5.441 1.00 0.00 C ATOM 0 H TRP A 449 0.930 -13.713 10.277 1.00 0.00 H new ATOM 0 HA TRP A 449 1.882 -13.708 7.606 1.00 0.00 H new ATOM 0 HB2 TRP A 449 0.813 -11.646 9.544 1.00 0.00 H new ATOM 0 HB3 TRP A 449 1.455 -11.143 7.993 1.00 0.00 H new ATOM 0 HD1 TRP A 449 -0.663 -14.359 8.486 1.00 0.00 H new ATOM 0 HE1 TRP A 449 -2.841 -14.155 7.105 1.00 0.00 H new ATOM 0 HE3 TRP A 449 -0.098 -9.533 6.902 1.00 0.00 H new ATOM 0 HZ2 TRP A 449 -4.111 -12.175 5.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 449 -1.843 -8.548 5.470 1.00 0.00 H new ATOM 0 HH2 TRP A 449 -3.825 -9.852 4.814 1.00 0.00 H new ATOM 403 N LYS A 450 3.776 -11.727 7.786 1.00 0.00 N ATOM 404 CA LYS A 450 5.118 -11.156 7.799 1.00 0.00 C ATOM 405 C LYS A 450 5.161 -9.849 7.014 1.00 0.00 C ATOM 406 O LYS A 450 4.246 -9.540 6.250 1.00 0.00 O ATOM 407 CB LYS A 450 6.123 -12.149 7.213 1.00 0.00 C ATOM 408 CG LYS A 450 6.501 -13.268 8.168 1.00 0.00 C ATOM 409 CD LYS A 450 7.757 -13.991 7.711 1.00 0.00 C ATOM 410 CE LYS A 450 9.013 -13.319 8.245 1.00 0.00 C ATOM 411 NZ LYS A 450 10.185 -13.546 7.356 1.00 0.00 N ATOM 0 H LYS A 450 3.170 -11.362 7.051 1.00 0.00 H new ATOM 0 HA LYS A 450 5.386 -10.946 8.834 1.00 0.00 H new ATOM 0 HB2 LYS A 450 5.704 -12.584 6.305 1.00 0.00 H new ATOM 0 HB3 LYS A 450 7.025 -11.611 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 450 6.659 -12.858 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 450 5.678 -13.978 8.242 1.00 0.00 H new ATOM 0 HD2 LYS A 450 7.725 -15.027 8.049 1.00 0.00 H new ATOM 0 HD3 LYS A 450 7.790 -14.012 6.622 1.00 0.00 H new ATOM 0 HE2 LYS A 450 8.837 -12.248 8.347 1.00 0.00 H new ATOM 0 HE3 LYS A 450 9.234 -13.702 9.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 450 11.020 -13.072 7.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 450 10.370 -14.567 7.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 450 9.985 -13.158 6.412 1.00 0.00 H new ATOM 425 N THR A 451 6.231 -9.084 7.205 1.00 0.00 N ATOM 426 CA THR A 451 6.394 -7.811 6.515 1.00 0.00 C ATOM 427 C THR A 451 6.089 -7.949 5.028 1.00 0.00 C ATOM 428 O THR A 451 5.248 -7.230 4.488 1.00 0.00 O ATOM 429 CB THR A 451 7.822 -7.258 6.685 1.00 0.00 C ATOM 430 OG1 THR A 451 8.121 -7.093 8.076 1.00 0.00 O ATOM 431 CG2 THR A 451 7.975 -5.925 5.967 1.00 0.00 C ATOM 0 H THR A 451 6.998 -9.324 7.833 1.00 0.00 H new ATOM 0 HA THR A 451 5.687 -7.115 6.966 1.00 0.00 H new ATOM 0 HB THR A 451 8.519 -7.972 6.246 1.00 0.00 H new ATOM 0 HG1 THR A 451 9.031 -6.742 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 451 8.991 -5.554 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 451 7.775 -6.059 4.904 1.00 0.00 H new ATOM 0 HG23 THR A 451 7.269 -5.206 6.381 1.00 0.00 H new ATOM 439 N SER A 452 6.776 -8.878 4.371 1.00 0.00 N ATOM 440 CA SER A 452 6.580 -9.108 2.945 1.00 0.00 C ATOM 441 C SER A 452 5.095 -9.213 2.610 1.00 0.00 C ATOM 442 O SER A 452 4.609 -8.563 1.685 1.00 0.00 O ATOM 443 CB SER A 452 7.304 -10.383 2.508 1.00 0.00 C ATOM 444 OG SER A 452 7.556 -10.374 1.113 1.00 0.00 O ATOM 0 H SER A 452 7.473 -9.484 4.804 1.00 0.00 H new ATOM 0 HA SER A 452 6.997 -8.258 2.405 1.00 0.00 H new ATOM 0 HB2 SER A 452 8.245 -10.474 3.050 1.00 0.00 H new ATOM 0 HB3 SER A 452 6.701 -11.254 2.766 1.00 0.00 H new ATOM 0 HG SER A 452 8.021 -11.199 0.859 1.00 0.00 H new ATOM 450 N ASP A 453 4.381 -10.035 3.370 1.00 0.00 N ATOM 451 CA ASP A 453 2.951 -10.226 3.157 1.00 0.00 C ATOM 452 C ASP A 453 2.221 -8.886 3.141 1.00 0.00 C ATOM 453 O ASP A 453 1.366 -8.643 2.288 1.00 0.00 O ATOM 454 CB ASP A 453 2.367 -11.127 4.246 1.00 0.00 C ATOM 455 CG ASP A 453 2.798 -12.572 4.094 1.00 0.00 C ATOM 456 OD1 ASP A 453 2.328 -13.235 3.146 1.00 0.00 O ATOM 457 OD2 ASP A 453 3.605 -13.040 4.924 1.00 0.00 O ATOM 0 H ASP A 453 4.769 -10.580 4.140 1.00 0.00 H new ATOM 0 HA ASP A 453 2.813 -10.706 2.188 1.00 0.00 H new ATOM 0 HB2 ASP A 453 2.678 -10.759 5.224 1.00 0.00 H new ATOM 0 HB3 ASP A 453 1.279 -11.070 4.216 1.00 0.00 H new ATOM 462 N LEU A 454 2.562 -8.021 4.090 1.00 0.00 N ATOM 463 CA LEU A 454 1.938 -6.706 4.186 1.00 0.00 C ATOM 464 C LEU A 454 2.223 -5.876 2.939 1.00 0.00 C ATOM 465 O LEU A 454 1.304 -5.481 2.221 1.00 0.00 O ATOM 466 CB LEU A 454 2.443 -5.971 5.429 1.00 0.00 C ATOM 467 CG LEU A 454 1.684 -6.247 6.727 1.00 0.00 C ATOM 468 CD1 LEU A 454 0.185 -6.110 6.509 1.00 0.00 C ATOM 469 CD2 LEU A 454 2.023 -7.633 7.258 1.00 0.00 C ATOM 0 H LEU A 454 3.267 -8.206 4.804 1.00 0.00 H new ATOM 0 HA LEU A 454 0.860 -6.847 4.267 1.00 0.00 H new ATOM 0 HB2 LEU A 454 3.490 -6.233 5.581 1.00 0.00 H new ATOM 0 HB3 LEU A 454 2.408 -4.899 5.232 1.00 0.00 H new ATOM 0 HG LEU A 454 1.991 -5.510 7.469 1.00 0.00 H new ATOM 0 HD11 LEU A 454 -0.338 -6.310 7.444 1.00 0.00 H new ATOM 0 HD12 LEU A 454 -0.043 -5.098 6.175 1.00 0.00 H new ATOM 0 HD13 LEU A 454 -0.139 -6.824 5.752 1.00 0.00 H new ATOM 0 HD21 LEU A 454 1.474 -7.813 8.182 1.00 0.00 H new ATOM 0 HD22 LEU A 454 1.745 -8.384 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 454 3.093 -7.696 7.454 1.00 0.00 H new ATOM 481 N TYR A 455 3.501 -5.616 2.686 1.00 0.00 N ATOM 482 CA TYR A 455 3.907 -4.833 1.526 1.00 0.00 C ATOM 483 C TYR A 455 3.247 -5.360 0.255 1.00 0.00 C ATOM 484 O TYR A 455 2.434 -4.674 -0.364 1.00 0.00 O ATOM 485 CB TYR A 455 5.429 -4.860 1.373 1.00 0.00 C ATOM 486 CG TYR A 455 6.131 -3.742 2.109 1.00 0.00 C ATOM 487 CD1 TYR A 455 5.742 -2.419 1.938 1.00 0.00 C ATOM 488 CD2 TYR A 455 7.185 -4.009 2.975 1.00 0.00 C ATOM 489 CE1 TYR A 455 6.382 -1.394 2.608 1.00 0.00 C ATOM 490 CE2 TYR A 455 7.829 -2.990 3.651 1.00 0.00 C ATOM 491 CZ TYR A 455 7.424 -1.685 3.464 1.00 0.00 C ATOM 492 OH TYR A 455 8.064 -0.668 4.134 1.00 0.00 O ATOM 0 H TYR A 455 4.274 -5.937 3.270 1.00 0.00 H new ATOM 0 HA TYR A 455 3.583 -3.804 1.682 1.00 0.00 H new ATOM 0 HB2 TYR A 455 5.805 -5.816 1.737 1.00 0.00 H new ATOM 0 HB3 TYR A 455 5.680 -4.801 0.314 1.00 0.00 H new ATOM 0 HD1 TYR A 455 4.925 -2.188 1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 455 7.506 -5.030 3.122 1.00 0.00 H new ATOM 0 HE1 TYR A 455 6.068 -0.371 2.462 1.00 0.00 H new ATOM 0 HE2 TYR A 455 8.645 -3.214 4.322 1.00 0.00 H new ATOM 0 HH TYR A 455 8.773 -1.043 4.697 1.00 0.00 H new ATOM 502 N GLN A 456 3.604 -6.582 -0.126 1.00 0.00 N ATOM 503 CA GLN A 456 3.047 -7.201 -1.323 1.00 0.00 C ATOM 504 C GLN A 456 1.542 -6.970 -1.405 1.00 0.00 C ATOM 505 O GLN A 456 1.014 -6.617 -2.461 1.00 0.00 O ATOM 506 CB GLN A 456 3.346 -8.701 -1.333 1.00 0.00 C ATOM 507 CG GLN A 456 2.287 -9.538 -0.633 1.00 0.00 C ATOM 508 CD GLN A 456 2.496 -11.026 -0.828 1.00 0.00 C ATOM 509 OE1 GLN A 456 3.630 -11.500 -0.906 1.00 0.00 O ATOM 510 NE2 GLN A 456 1.401 -11.773 -0.906 1.00 0.00 N ATOM 0 H GLN A 456 4.276 -7.163 0.376 1.00 0.00 H new ATOM 0 HA GLN A 456 3.515 -6.739 -2.192 1.00 0.00 H new ATOM 0 HB2 GLN A 456 3.439 -9.037 -2.366 1.00 0.00 H new ATOM 0 HB3 GLN A 456 4.309 -8.874 -0.853 1.00 0.00 H new ATOM 0 HG2 GLN A 456 2.296 -9.310 0.433 1.00 0.00 H new ATOM 0 HG3 GLN A 456 1.303 -9.261 -1.010 1.00 0.00 H new ATOM 0 HE21 GLN A 456 0.481 -11.338 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 456 1.480 -12.782 -1.036 1.00 0.00 H new ATOM 519 N LEU A 457 0.856 -7.172 -0.286 1.00 0.00 N ATOM 520 CA LEU A 457 -0.590 -6.986 -0.231 1.00 0.00 C ATOM 521 C LEU A 457 -0.970 -5.558 -0.608 1.00 0.00 C ATOM 522 O LEU A 457 -1.683 -5.331 -1.586 1.00 0.00 O ATOM 523 CB LEU A 457 -1.114 -7.313 1.168 1.00 0.00 C ATOM 524 CG LEU A 457 -2.634 -7.320 1.332 1.00 0.00 C ATOM 525 CD1 LEU A 457 -3.214 -8.649 0.872 1.00 0.00 C ATOM 526 CD2 LEU A 457 -3.016 -7.042 2.778 1.00 0.00 C ATOM 0 H LEU A 457 1.277 -7.465 0.596 1.00 0.00 H new ATOM 0 HA LEU A 457 -1.046 -7.666 -0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 457 -0.733 -8.293 1.457 1.00 0.00 H new ATOM 0 HB3 LEU A 457 -0.697 -6.590 1.868 1.00 0.00 H new ATOM 0 HG LEU A 457 -3.051 -6.529 0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 457 -4.297 -8.636 0.996 1.00 0.00 H new ATOM 0 HD12 LEU A 457 -2.971 -8.808 -0.179 1.00 0.00 H new ATOM 0 HD13 LEU A 457 -2.790 -9.457 1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 457 -4.102 -7.051 2.876 1.00 0.00 H new ATOM 0 HD22 LEU A 457 -2.587 -7.810 3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 457 -2.633 -6.065 3.074 1.00 0.00 H new ATOM 538 N PHE A 458 -0.488 -4.597 0.174 1.00 0.00 N ATOM 539 CA PHE A 458 -0.776 -3.190 -0.078 1.00 0.00 C ATOM 540 C PHE A 458 -0.044 -2.700 -1.324 1.00 0.00 C ATOM 541 O PHE A 458 -0.281 -1.589 -1.799 1.00 0.00 O ATOM 542 CB PHE A 458 -0.375 -2.341 1.130 1.00 0.00 C ATOM 543 CG PHE A 458 -1.436 -2.271 2.191 1.00 0.00 C ATOM 544 CD1 PHE A 458 -2.455 -1.336 2.109 1.00 0.00 C ATOM 545 CD2 PHE A 458 -1.413 -3.139 3.271 1.00 0.00 C ATOM 546 CE1 PHE A 458 -3.433 -1.269 3.084 1.00 0.00 C ATOM 547 CE2 PHE A 458 -2.388 -3.077 4.249 1.00 0.00 C ATOM 548 CZ PHE A 458 -3.399 -2.140 4.156 1.00 0.00 C ATOM 0 H PHE A 458 0.104 -4.767 0.987 1.00 0.00 H new ATOM 0 HA PHE A 458 -1.848 -3.088 -0.244 1.00 0.00 H new ATOM 0 HB2 PHE A 458 0.537 -2.750 1.565 1.00 0.00 H new ATOM 0 HB3 PHE A 458 -0.142 -1.331 0.793 1.00 0.00 H new ATOM 0 HD1 PHE A 458 -2.486 -0.652 1.274 1.00 0.00 H new ATOM 0 HD2 PHE A 458 -0.624 -3.872 3.350 1.00 0.00 H new ATOM 0 HE1 PHE A 458 -4.223 -0.536 3.008 1.00 0.00 H new ATOM 0 HE2 PHE A 458 -2.359 -3.760 5.085 1.00 0.00 H new ATOM 0 HZ PHE A 458 -4.161 -2.088 4.920 1.00 0.00 H new ATOM 558 N SER A 459 0.847 -3.536 -1.847 1.00 0.00 N ATOM 559 CA SER A 459 1.618 -3.187 -3.035 1.00 0.00 C ATOM 560 C SER A 459 0.720 -2.573 -4.104 1.00 0.00 C ATOM 561 O SER A 459 1.179 -1.808 -4.952 1.00 0.00 O ATOM 562 CB SER A 459 2.323 -4.424 -3.593 1.00 0.00 C ATOM 563 OG SER A 459 3.393 -4.060 -4.447 1.00 0.00 O ATOM 0 H SER A 459 1.053 -4.460 -1.467 1.00 0.00 H new ATOM 0 HA SER A 459 2.368 -2.450 -2.748 1.00 0.00 H new ATOM 0 HB2 SER A 459 2.700 -5.033 -2.771 1.00 0.00 H new ATOM 0 HB3 SER A 459 1.608 -5.037 -4.142 1.00 0.00 H new ATOM 0 HG SER A 459 3.828 -4.869 -4.789 1.00 0.00 H new ATOM 569 N ALA A 460 -0.564 -2.915 -4.058 1.00 0.00 N ATOM 570 CA ALA A 460 -1.528 -2.397 -5.020 1.00 0.00 C ATOM 571 C ALA A 460 -1.419 -0.881 -5.144 1.00 0.00 C ATOM 572 O ALA A 460 -1.535 -0.328 -6.238 1.00 0.00 O ATOM 573 CB ALA A 460 -2.940 -2.797 -4.620 1.00 0.00 C ATOM 0 H ALA A 460 -0.960 -3.549 -3.364 1.00 0.00 H new ATOM 0 HA ALA A 460 -1.302 -2.832 -5.994 1.00 0.00 H new ATOM 0 HB1 ALA A 460 -3.650 -2.403 -5.348 1.00 0.00 H new ATOM 0 HB2 ALA A 460 -3.016 -3.884 -4.591 1.00 0.00 H new ATOM 0 HB3 ALA A 460 -3.168 -2.391 -3.634 1.00 0.00 H new ATOM 579 N PHE A 461 -1.198 -0.214 -4.017 1.00 0.00 N ATOM 580 CA PHE A 461 -1.076 1.239 -3.999 1.00 0.00 C ATOM 581 C PHE A 461 0.354 1.668 -4.313 1.00 0.00 C ATOM 582 O PHE A 461 0.580 2.568 -5.121 1.00 0.00 O ATOM 583 CB PHE A 461 -1.499 1.791 -2.636 1.00 0.00 C ATOM 584 CG PHE A 461 -2.848 1.307 -2.186 1.00 0.00 C ATOM 585 CD1 PHE A 461 -4.003 1.951 -2.601 1.00 0.00 C ATOM 586 CD2 PHE A 461 -2.961 0.210 -1.347 1.00 0.00 C ATOM 587 CE1 PHE A 461 -5.246 1.508 -2.189 1.00 0.00 C ATOM 588 CE2 PHE A 461 -4.201 -0.237 -0.932 1.00 0.00 C ATOM 589 CZ PHE A 461 -5.345 0.414 -1.353 1.00 0.00 C ATOM 0 H PHE A 461 -1.100 -0.657 -3.103 1.00 0.00 H new ATOM 0 HA PHE A 461 -1.735 1.644 -4.767 1.00 0.00 H new ATOM 0 HB2 PHE A 461 -0.754 1.510 -1.892 1.00 0.00 H new ATOM 0 HB3 PHE A 461 -1.509 2.880 -2.681 1.00 0.00 H new ATOM 0 HD1 PHE A 461 -3.931 2.809 -3.254 1.00 0.00 H new ATOM 0 HD2 PHE A 461 -2.070 -0.301 -1.014 1.00 0.00 H new ATOM 0 HE1 PHE A 461 -6.139 2.017 -2.521 1.00 0.00 H new ATOM 0 HE2 PHE A 461 -4.276 -1.094 -0.279 1.00 0.00 H new ATOM 0 HZ PHE A 461 -6.315 0.067 -1.028 1.00 0.00 H new ATOM 599 N GLY A 462 1.317 1.018 -3.666 1.00 0.00 N ATOM 600 CA GLY A 462 2.712 1.346 -3.888 1.00 0.00 C ATOM 601 C GLY A 462 3.435 1.706 -2.605 1.00 0.00 C ATOM 602 O GLY A 462 3.159 1.137 -1.549 1.00 0.00 O ATOM 0 H GLY A 462 1.155 0.270 -2.992 1.00 0.00 H new ATOM 0 HA2 GLY A 462 3.211 0.498 -4.357 1.00 0.00 H new ATOM 0 HA3 GLY A 462 2.779 2.181 -4.586 1.00 0.00 H new ATOM 606 N ASN A 463 4.365 2.651 -2.696 1.00 0.00 N ATOM 607 CA ASN A 463 5.131 3.084 -1.533 1.00 0.00 C ATOM 608 C ASN A 463 4.220 3.288 -0.326 1.00 0.00 C ATOM 609 O ASN A 463 3.292 4.097 -0.367 1.00 0.00 O ATOM 610 CB ASN A 463 5.882 4.380 -1.844 1.00 0.00 C ATOM 611 CG ASN A 463 6.929 4.195 -2.926 1.00 0.00 C ATOM 612 OD1 ASN A 463 6.886 3.230 -3.690 1.00 0.00 O ATOM 613 ND2 ASN A 463 7.877 5.123 -2.996 1.00 0.00 N ATOM 0 H ASN A 463 4.606 3.131 -3.563 1.00 0.00 H new ATOM 0 HA ASN A 463 5.852 2.303 -1.293 1.00 0.00 H new ATOM 0 HB2 ASN A 463 5.170 5.143 -2.158 1.00 0.00 H new ATOM 0 HB3 ASN A 463 6.362 4.746 -0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 463 8.608 5.053 -3.704 1.00 0.00 H new ATOM 0 HD22 ASN A 463 7.874 5.906 -2.342 1.00 0.00 H new ATOM 620 N ILE A 464 4.492 2.551 0.745 1.00 0.00 N ATOM 621 CA ILE A 464 3.698 2.653 1.963 1.00 0.00 C ATOM 622 C ILE A 464 4.583 2.586 3.204 1.00 0.00 C ATOM 623 O ILE A 464 5.779 2.311 3.110 1.00 0.00 O ATOM 624 CB ILE A 464 2.640 1.537 2.041 1.00 0.00 C ATOM 625 CG1 ILE A 464 3.316 0.171 2.172 1.00 0.00 C ATOM 626 CG2 ILE A 464 1.741 1.573 0.814 1.00 0.00 C ATOM 627 CD1 ILE A 464 2.363 -0.942 2.550 1.00 0.00 C ATOM 0 H ILE A 464 5.256 1.877 0.794 1.00 0.00 H new ATOM 0 HA ILE A 464 3.194 3.619 1.930 1.00 0.00 H new ATOM 0 HB ILE A 464 2.024 1.703 2.925 1.00 0.00 H new ATOM 0 HG12 ILE A 464 3.797 -0.079 1.226 1.00 0.00 H new ATOM 0 HG13 ILE A 464 4.103 0.235 2.923 1.00 0.00 H new ATOM 0 HG21 ILE A 464 0.998 0.778 0.884 1.00 0.00 H new ATOM 0 HG22 ILE A 464 1.236 2.538 0.761 1.00 0.00 H new ATOM 0 HG23 ILE A 464 2.344 1.429 -0.083 1.00 0.00 H new ATOM 0 HD11 ILE A 464 2.912 -1.881 2.625 1.00 0.00 H new ATOM 0 HD12 ILE A 464 1.900 -0.714 3.510 1.00 0.00 H new ATOM 0 HD13 ILE A 464 1.590 -1.033 1.787 1.00 0.00 H new ATOM 639 N GLN A 465 3.986 2.838 4.364 1.00 0.00 N ATOM 640 CA GLN A 465 4.720 2.805 5.623 1.00 0.00 C ATOM 641 C GLN A 465 4.053 1.860 6.618 1.00 0.00 C ATOM 642 O GLN A 465 3.056 2.211 7.249 1.00 0.00 O ATOM 643 CB GLN A 465 4.814 4.210 6.220 1.00 0.00 C ATOM 644 CG GLN A 465 5.770 4.308 7.398 1.00 0.00 C ATOM 645 CD GLN A 465 7.221 4.393 6.965 1.00 0.00 C ATOM 646 OE1 GLN A 465 7.792 3.257 6.581 1.00 0.00 O flip ATOM 647 NE2 GLN A 465 7.822 5.468 6.976 1.00 0.00 N flip ATOM 0 H GLN A 465 2.997 3.067 4.458 1.00 0.00 H new ATOM 0 HA GLN A 465 5.725 2.437 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 465 5.135 4.905 5.444 1.00 0.00 H new ATOM 0 HB3 GLN A 465 3.822 4.527 6.541 1.00 0.00 H new ATOM 0 HG2 GLN A 465 5.520 5.187 7.992 1.00 0.00 H new ATOM 0 HG3 GLN A 465 5.637 3.439 8.042 1.00 0.00 H new ATOM 0 HE21 GLN A 465 7.344 6.317 7.279 1.00 0.00 H new ATOM 0 HE22 GLN A 465 8.798 5.510 6.682 1.00 0.00 H new ATOM 656 N ILE A 466 4.609 0.661 6.751 1.00 0.00 N ATOM 657 CA ILE A 466 4.068 -0.334 7.669 1.00 0.00 C ATOM 658 C ILE A 466 4.581 -0.109 9.088 1.00 0.00 C ATOM 659 O ILE A 466 5.757 -0.333 9.377 1.00 0.00 O ATOM 660 CB ILE A 466 4.428 -1.764 7.226 1.00 0.00 C ATOM 661 CG1 ILE A 466 3.983 -2.001 5.782 1.00 0.00 C ATOM 662 CG2 ILE A 466 3.790 -2.784 8.157 1.00 0.00 C ATOM 663 CD1 ILE A 466 4.668 -3.178 5.123 1.00 0.00 C ATOM 0 H ILE A 466 5.434 0.355 6.235 1.00 0.00 H new ATOM 0 HA ILE A 466 2.984 -0.220 7.654 1.00 0.00 H new ATOM 0 HB ILE A 466 5.510 -1.882 7.277 1.00 0.00 H new ATOM 0 HG12 ILE A 466 2.905 -2.162 5.765 1.00 0.00 H new ATOM 0 HG13 ILE A 466 4.180 -1.102 5.198 1.00 0.00 H new ATOM 0 HG21 ILE A 466 4.054 -3.790 7.830 1.00 0.00 H new ATOM 0 HG22 ILE A 466 4.152 -2.626 9.173 1.00 0.00 H new ATOM 0 HG23 ILE A 466 2.706 -2.668 8.136 1.00 0.00 H new ATOM 0 HD11 ILE A 466 4.303 -3.286 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 466 5.745 -3.011 5.108 1.00 0.00 H new ATOM 0 HD13 ILE A 466 4.450 -4.087 5.684 1.00 0.00 H new ATOM 675 N SER A 467 3.691 0.334 9.970 1.00 0.00 N ATOM 676 CA SER A 467 4.054 0.591 11.359 1.00 0.00 C ATOM 677 C SER A 467 3.655 -0.581 12.250 1.00 0.00 C ATOM 678 O SER A 467 2.471 -0.819 12.488 1.00 0.00 O ATOM 679 CB SER A 467 3.384 1.874 11.854 1.00 0.00 C ATOM 680 OG SER A 467 4.206 3.004 11.615 1.00 0.00 O ATOM 0 H SER A 467 2.714 0.522 9.748 1.00 0.00 H new ATOM 0 HA SER A 467 5.136 0.712 11.410 1.00 0.00 H new ATOM 0 HB2 SER A 467 2.426 2.005 11.351 1.00 0.00 H new ATOM 0 HB3 SER A 467 3.176 1.791 12.921 1.00 0.00 H new ATOM 0 HG SER A 467 3.755 3.811 11.939 1.00 0.00 H new ATOM 686 N TRP A 468 4.652 -1.309 12.740 1.00 0.00 N ATOM 687 CA TRP A 468 4.406 -2.456 13.606 1.00 0.00 C ATOM 688 C TRP A 468 4.049 -2.006 15.019 1.00 0.00 C ATOM 689 O TRP A 468 4.901 -1.504 15.753 1.00 0.00 O ATOM 690 CB TRP A 468 5.635 -3.366 13.643 1.00 0.00 C ATOM 691 CG TRP A 468 5.890 -4.072 12.345 1.00 0.00 C ATOM 692 CD1 TRP A 468 6.559 -3.578 11.262 1.00 0.00 C ATOM 693 CD2 TRP A 468 5.479 -5.398 11.995 1.00 0.00 C ATOM 694 NE1 TRP A 468 6.588 -4.517 10.259 1.00 0.00 N ATOM 695 CE2 TRP A 468 5.933 -5.642 10.684 1.00 0.00 C ATOM 696 CE3 TRP A 468 4.773 -6.402 12.662 1.00 0.00 C ATOM 697 CZ2 TRP A 468 5.702 -6.850 10.030 1.00 0.00 C ATOM 698 CZ3 TRP A 468 4.544 -7.600 12.011 1.00 0.00 C ATOM 699 CH2 TRP A 468 5.008 -7.816 10.706 1.00 0.00 C ATOM 0 H TRP A 468 5.638 -1.125 12.552 1.00 0.00 H new ATOM 0 HA TRP A 468 3.562 -3.013 13.198 1.00 0.00 H new ATOM 0 HB2 TRP A 468 6.511 -2.772 13.903 1.00 0.00 H new ATOM 0 HB3 TRP A 468 5.506 -4.107 14.432 1.00 0.00 H new ATOM 0 HD1 TRP A 468 7.000 -2.594 11.202 1.00 0.00 H new ATOM 0 HE1 TRP A 468 7.026 -4.396 9.346 1.00 0.00 H new ATOM 0 HE3 TRP A 468 4.413 -6.245 13.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 468 6.058 -7.018 9.024 1.00 0.00 H new ATOM 0 HZ3 TRP A 468 3.998 -8.383 12.517 1.00 0.00 H new ATOM 0 HH2 TRP A 468 4.814 -8.763 10.225 1.00 0.00 H new ATOM 710 N ILE A 469 2.788 -2.189 15.393 1.00 0.00 N ATOM 711 CA ILE A 469 2.320 -1.803 16.718 1.00 0.00 C ATOM 712 C ILE A 469 2.467 -2.952 17.709 1.00 0.00 C ATOM 713 O ILE A 469 3.314 -2.911 18.602 1.00 0.00 O ATOM 714 CB ILE A 469 0.848 -1.352 16.687 1.00 0.00 C ATOM 715 CG1 ILE A 469 0.605 -0.413 15.503 1.00 0.00 C ATOM 716 CG2 ILE A 469 0.475 -0.671 17.995 1.00 0.00 C ATOM 717 CD1 ILE A 469 -0.800 -0.493 14.947 1.00 0.00 C ATOM 0 H ILE A 469 2.071 -2.603 14.797 1.00 0.00 H new ATOM 0 HA ILE A 469 2.940 -0.967 17.040 1.00 0.00 H new ATOM 0 HB ILE A 469 0.216 -2.232 16.565 1.00 0.00 H new ATOM 0 HG12 ILE A 469 0.806 0.612 15.815 1.00 0.00 H new ATOM 0 HG13 ILE A 469 1.315 -0.650 14.710 1.00 0.00 H new ATOM 0 HG21 ILE A 469 -0.568 -0.358 17.958 1.00 0.00 H new ATOM 0 HG22 ILE A 469 0.615 -1.368 18.821 1.00 0.00 H new ATOM 0 HG23 ILE A 469 1.110 0.202 18.145 1.00 0.00 H new ATOM 0 HD11 ILE A 469 -0.900 0.199 14.111 1.00 0.00 H new ATOM 0 HD12 ILE A 469 -0.998 -1.508 14.604 1.00 0.00 H new ATOM 0 HD13 ILE A 469 -1.515 -0.227 15.726 1.00 0.00 H new ATOM 729 N ASP A 470 1.639 -3.978 17.545 1.00 0.00 N ATOM 730 CA ASP A 470 1.678 -5.141 18.423 1.00 0.00 C ATOM 731 C ASP A 470 1.974 -6.410 17.631 1.00 0.00 C ATOM 732 O ASP A 470 2.238 -6.357 16.430 1.00 0.00 O ATOM 733 CB ASP A 470 0.350 -5.288 19.169 1.00 0.00 C ATOM 734 CG ASP A 470 -0.018 -4.041 19.948 1.00 0.00 C ATOM 735 OD1 ASP A 470 -0.507 -3.075 19.325 1.00 0.00 O ATOM 736 OD2 ASP A 470 0.183 -4.030 21.180 1.00 0.00 O ATOM 0 H ASP A 470 0.932 -4.028 16.811 1.00 0.00 H new ATOM 0 HA ASP A 470 2.478 -4.992 19.148 1.00 0.00 H new ATOM 0 HB2 ASP A 470 -0.442 -5.513 18.454 1.00 0.00 H new ATOM 0 HB3 ASP A 470 0.413 -6.135 19.853 1.00 0.00 H new ATOM 741 N ASP A 471 1.929 -7.550 18.312 1.00 0.00 N ATOM 742 CA ASP A 471 2.193 -8.834 17.672 1.00 0.00 C ATOM 743 C ASP A 471 1.151 -9.129 16.597 1.00 0.00 C ATOM 744 O ASP A 471 1.451 -9.758 15.582 1.00 0.00 O ATOM 745 CB ASP A 471 2.202 -9.954 18.713 1.00 0.00 C ATOM 746 CG ASP A 471 2.981 -9.581 19.959 1.00 0.00 C ATOM 747 OD1 ASP A 471 4.137 -9.129 19.823 1.00 0.00 O ATOM 748 OD2 ASP A 471 2.433 -9.740 21.070 1.00 0.00 O ATOM 0 H ASP A 471 1.712 -7.611 19.307 1.00 0.00 H new ATOM 0 HA ASP A 471 3.173 -8.782 17.198 1.00 0.00 H new ATOM 0 HB2 ASP A 471 1.176 -10.198 18.989 1.00 0.00 H new ATOM 0 HB3 ASP A 471 2.635 -10.852 18.272 1.00 0.00 H new ATOM 753 N THR A 472 -0.076 -8.673 16.829 1.00 0.00 N ATOM 754 CA THR A 472 -1.163 -8.891 15.882 1.00 0.00 C ATOM 755 C THR A 472 -1.812 -7.572 15.478 1.00 0.00 C ATOM 756 O THR A 472 -2.940 -7.549 14.987 1.00 0.00 O ATOM 757 CB THR A 472 -2.241 -9.821 16.469 1.00 0.00 C ATOM 758 OG1 THR A 472 -2.629 -9.363 17.769 1.00 0.00 O ATOM 759 CG2 THR A 472 -1.730 -11.251 16.561 1.00 0.00 C ATOM 0 H THR A 472 -0.342 -8.151 17.664 1.00 0.00 H new ATOM 0 HA THR A 472 -0.726 -9.363 15.002 1.00 0.00 H new ATOM 0 HB THR A 472 -3.105 -9.803 15.805 1.00 0.00 H new ATOM 0 HG1 THR A 472 -3.316 -9.959 18.134 1.00 0.00 H new ATOM 0 HG21 THR A 472 -2.509 -11.889 16.978 1.00 0.00 H new ATOM 0 HG22 THR A 472 -1.464 -11.607 15.566 1.00 0.00 H new ATOM 0 HG23 THR A 472 -0.851 -11.283 17.205 1.00 0.00 H new ATOM 767 N SER A 473 -1.091 -6.475 15.687 1.00 0.00 N ATOM 768 CA SER A 473 -1.598 -5.150 15.346 1.00 0.00 C ATOM 769 C SER A 473 -0.583 -4.378 14.510 1.00 0.00 C ATOM 770 O SER A 473 0.603 -4.339 14.834 1.00 0.00 O ATOM 771 CB SER A 473 -1.931 -4.366 16.617 1.00 0.00 C ATOM 772 OG SER A 473 -2.993 -3.456 16.391 1.00 0.00 O ATOM 0 H SER A 473 -0.154 -6.477 16.091 1.00 0.00 H new ATOM 0 HA SER A 473 -2.506 -5.276 14.757 1.00 0.00 H new ATOM 0 HB2 SER A 473 -2.204 -5.058 17.414 1.00 0.00 H new ATOM 0 HB3 SER A 473 -1.048 -3.823 16.955 1.00 0.00 H new ATOM 0 HG SER A 473 -3.188 -2.968 17.219 1.00 0.00 H new ATOM 778 N ALA A 474 -1.059 -3.764 13.431 1.00 0.00 N ATOM 779 CA ALA A 474 -0.194 -2.991 12.548 1.00 0.00 C ATOM 780 C ALA A 474 -0.906 -1.743 12.038 1.00 0.00 C ATOM 781 O ALA A 474 -2.096 -1.550 12.286 1.00 0.00 O ATOM 782 CB ALA A 474 0.272 -3.850 11.382 1.00 0.00 C ATOM 0 H ALA A 474 -2.039 -3.787 13.148 1.00 0.00 H new ATOM 0 HA ALA A 474 0.677 -2.672 13.120 1.00 0.00 H new ATOM 0 HB1 ALA A 474 0.917 -3.260 10.731 1.00 0.00 H new ATOM 0 HB2 ALA A 474 0.826 -4.708 11.761 1.00 0.00 H new ATOM 0 HB3 ALA A 474 -0.593 -4.198 10.818 1.00 0.00 H new ATOM 788 N PHE A 475 -0.169 -0.897 11.325 1.00 0.00 N ATOM 789 CA PHE A 475 -0.730 0.334 10.781 1.00 0.00 C ATOM 790 C PHE A 475 -0.319 0.522 9.324 1.00 0.00 C ATOM 791 O PHE A 475 0.753 0.081 8.907 1.00 0.00 O ATOM 792 CB PHE A 475 -0.275 1.537 11.610 1.00 0.00 C ATOM 793 CG PHE A 475 -1.212 1.879 12.734 1.00 0.00 C ATOM 794 CD1 PHE A 475 -2.580 1.928 12.522 1.00 0.00 C ATOM 795 CD2 PHE A 475 -0.724 2.152 14.001 1.00 0.00 C ATOM 796 CE1 PHE A 475 -3.445 2.242 13.554 1.00 0.00 C ATOM 797 CE2 PHE A 475 -1.583 2.467 15.037 1.00 0.00 C ATOM 798 CZ PHE A 475 -2.945 2.513 14.812 1.00 0.00 C ATOM 0 H PHE A 475 0.818 -1.042 11.111 1.00 0.00 H new ATOM 0 HA PHE A 475 -1.816 0.260 10.827 1.00 0.00 H new ATOM 0 HB2 PHE A 475 0.713 1.332 12.021 1.00 0.00 H new ATOM 0 HB3 PHE A 475 -0.175 2.403 10.955 1.00 0.00 H new ATOM 0 HD1 PHE A 475 -2.976 1.718 11.539 1.00 0.00 H new ATOM 0 HD2 PHE A 475 0.340 2.118 14.182 1.00 0.00 H new ATOM 0 HE1 PHE A 475 -4.510 2.275 13.376 1.00 0.00 H new ATOM 0 HE2 PHE A 475 -1.190 2.677 16.021 1.00 0.00 H new ATOM 0 HZ PHE A 475 -3.618 2.761 15.619 1.00 0.00 H new ATOM 808 N VAL A 476 -1.179 1.180 8.552 1.00 0.00 N ATOM 809 CA VAL A 476 -0.906 1.427 7.142 1.00 0.00 C ATOM 810 C VAL A 476 -1.291 2.849 6.748 1.00 0.00 C ATOM 811 O VAL A 476 -2.473 3.187 6.684 1.00 0.00 O ATOM 812 CB VAL A 476 -1.663 0.433 6.241 1.00 0.00 C ATOM 813 CG1 VAL A 476 -1.414 0.746 4.773 1.00 0.00 C ATOM 814 CG2 VAL A 476 -1.256 -0.996 6.566 1.00 0.00 C ATOM 0 H VAL A 476 -2.071 1.551 8.880 1.00 0.00 H new ATOM 0 HA VAL A 476 0.166 1.292 6.999 1.00 0.00 H new ATOM 0 HB VAL A 476 -2.731 0.535 6.433 1.00 0.00 H new ATOM 0 HG11 VAL A 476 -1.957 0.033 4.152 1.00 0.00 H new ATOM 0 HG12 VAL A 476 -1.759 1.756 4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 476 -0.347 0.673 4.561 1.00 0.00 H new ATOM 0 HG21 VAL A 476 -1.800 -1.685 5.920 1.00 0.00 H new ATOM 0 HG22 VAL A 476 -0.185 -1.115 6.403 1.00 0.00 H new ATOM 0 HG23 VAL A 476 -1.491 -1.213 7.608 1.00 0.00 H new ATOM 824 N SER A 477 -0.286 3.678 6.485 1.00 0.00 N ATOM 825 CA SER A 477 -0.520 5.065 6.101 1.00 0.00 C ATOM 826 C SER A 477 -0.457 5.227 4.585 1.00 0.00 C ATOM 827 O SER A 477 0.454 4.714 3.932 1.00 0.00 O ATOM 828 CB SER A 477 0.509 5.981 6.767 1.00 0.00 C ATOM 829 OG SER A 477 0.483 7.277 6.195 1.00 0.00 O ATOM 0 H SER A 477 0.698 3.413 6.531 1.00 0.00 H new ATOM 0 HA SER A 477 -1.518 5.346 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 477 0.304 6.047 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 477 1.505 5.553 6.660 1.00 0.00 H new ATOM 0 HG SER A 477 1.148 7.844 6.639 1.00 0.00 H new ATOM 835 N LEU A 478 -1.429 5.942 4.032 1.00 0.00 N ATOM 836 CA LEU A 478 -1.486 6.173 2.593 1.00 0.00 C ATOM 837 C LEU A 478 -1.173 7.629 2.262 1.00 0.00 C ATOM 838 O LEU A 478 -0.960 8.447 3.156 1.00 0.00 O ATOM 839 CB LEU A 478 -2.867 5.800 2.050 1.00 0.00 C ATOM 840 CG LEU A 478 -3.270 4.332 2.193 1.00 0.00 C ATOM 841 CD1 LEU A 478 -4.757 4.158 1.923 1.00 0.00 C ATOM 842 CD2 LEU A 478 -2.450 3.460 1.254 1.00 0.00 C ATOM 0 H LEU A 478 -2.189 6.372 4.558 1.00 0.00 H new ATOM 0 HA LEU A 478 -0.734 5.542 2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 478 -3.612 6.412 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 478 -2.904 6.065 0.993 1.00 0.00 H new ATOM 0 HG LEU A 478 -3.068 4.018 3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 478 -5.026 3.107 2.029 1.00 0.00 H new ATOM 0 HD12 LEU A 478 -5.328 4.752 2.636 1.00 0.00 H new ATOM 0 HD13 LEU A 478 -4.984 4.490 0.910 1.00 0.00 H new ATOM 0 HD21 LEU A 478 -2.750 2.419 1.369 1.00 0.00 H new ATOM 0 HD22 LEU A 478 -2.620 3.775 0.224 1.00 0.00 H new ATOM 0 HD23 LEU A 478 -1.392 3.561 1.495 1.00 0.00 H new ATOM 854 N SER A 479 -1.149 7.945 0.971 1.00 0.00 N ATOM 855 CA SER A 479 -0.860 9.302 0.522 1.00 0.00 C ATOM 856 C SER A 479 -2.139 10.131 0.443 1.00 0.00 C ATOM 857 O SER A 479 -2.190 11.258 0.935 1.00 0.00 O ATOM 858 CB SER A 479 -0.172 9.274 -0.844 1.00 0.00 C ATOM 859 OG SER A 479 1.135 8.736 -0.746 1.00 0.00 O ATOM 0 H SER A 479 -1.326 7.280 0.218 1.00 0.00 H new ATOM 0 HA SER A 479 -0.191 9.765 1.248 1.00 0.00 H new ATOM 0 HB2 SER A 479 -0.763 8.678 -1.540 1.00 0.00 H new ATOM 0 HB3 SER A 479 -0.123 10.284 -1.251 1.00 0.00 H new ATOM 0 HG SER A 479 1.553 8.727 -1.633 1.00 0.00 H new ATOM 865 N GLN A 480 -3.167 9.564 -0.180 1.00 0.00 N ATOM 866 CA GLN A 480 -4.445 10.251 -0.324 1.00 0.00 C ATOM 867 C GLN A 480 -5.558 9.482 0.380 1.00 0.00 C ATOM 868 O GLN A 480 -5.532 8.256 0.481 1.00 0.00 O ATOM 869 CB GLN A 480 -4.789 10.428 -1.804 1.00 0.00 C ATOM 870 CG GLN A 480 -4.055 11.584 -2.465 1.00 0.00 C ATOM 871 CD GLN A 480 -4.271 11.631 -3.964 1.00 0.00 C ATOM 872 OE1 GLN A 480 -4.254 10.601 -4.639 1.00 0.00 O ATOM 873 NE2 GLN A 480 -4.476 12.831 -4.496 1.00 0.00 N ATOM 0 H GLN A 480 -3.140 8.632 -0.593 1.00 0.00 H new ATOM 0 HA GLN A 480 -4.356 11.233 0.141 1.00 0.00 H new ATOM 0 HB2 GLN A 480 -4.553 9.507 -2.336 1.00 0.00 H new ATOM 0 HB3 GLN A 480 -5.863 10.586 -1.902 1.00 0.00 H new ATOM 0 HG2 GLN A 480 -4.391 12.522 -2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 480 -2.988 11.498 -2.258 1.00 0.00 H new ATOM 0 HE21 GLN A 480 -4.482 13.659 -3.900 1.00 0.00 H new ATOM 0 HE22 GLN A 480 -4.627 12.925 -5.500 1.00 0.00 H new ATOM 882 N PRO A 481 -6.561 10.219 0.881 1.00 0.00 N ATOM 883 CA PRO A 481 -7.703 9.628 1.584 1.00 0.00 C ATOM 884 C PRO A 481 -8.616 8.842 0.650 1.00 0.00 C ATOM 885 O PRO A 481 -9.412 8.015 1.095 1.00 0.00 O ATOM 886 CB PRO A 481 -8.439 10.844 2.153 1.00 0.00 C ATOM 887 CG PRO A 481 -8.064 11.968 1.250 1.00 0.00 C ATOM 888 CD PRO A 481 -6.658 11.686 0.798 1.00 0.00 C ATOM 0 HA PRO A 481 -7.387 8.911 2.342 1.00 0.00 H new ATOM 0 HB2 PRO A 481 -9.517 10.686 2.162 1.00 0.00 H new ATOM 0 HB3 PRO A 481 -8.138 11.044 3.181 1.00 0.00 H new ATOM 0 HG2 PRO A 481 -8.743 12.028 0.399 1.00 0.00 H new ATOM 0 HG3 PRO A 481 -8.122 12.923 1.772 1.00 0.00 H new ATOM 0 HD2 PRO A 481 -6.483 12.044 -0.217 1.00 0.00 H new ATOM 0 HD3 PRO A 481 -5.924 12.174 1.439 1.00 0.00 H new ATOM 896 N GLU A 482 -8.496 9.105 -0.648 1.00 0.00 N ATOM 897 CA GLU A 482 -9.312 8.422 -1.644 1.00 0.00 C ATOM 898 C GLU A 482 -9.072 6.915 -1.604 1.00 0.00 C ATOM 899 O GLU A 482 -10.008 6.132 -1.448 1.00 0.00 O ATOM 900 CB GLU A 482 -9.005 8.960 -3.043 1.00 0.00 C ATOM 901 CG GLU A 482 -9.642 10.310 -3.329 1.00 0.00 C ATOM 902 CD GLU A 482 -8.755 11.471 -2.925 1.00 0.00 C ATOM 903 OE1 GLU A 482 -7.756 11.728 -3.628 1.00 0.00 O ATOM 904 OE2 GLU A 482 -9.062 12.124 -1.905 1.00 0.00 O ATOM 0 H GLU A 482 -7.842 9.786 -1.034 1.00 0.00 H new ATOM 0 HA GLU A 482 -10.359 8.613 -1.410 1.00 0.00 H new ATOM 0 HB2 GLU A 482 -7.925 9.045 -3.162 1.00 0.00 H new ATOM 0 HB3 GLU A 482 -9.351 8.240 -3.784 1.00 0.00 H new ATOM 0 HG2 GLU A 482 -9.867 10.383 -4.393 1.00 0.00 H new ATOM 0 HG3 GLU A 482 -10.591 10.380 -2.797 1.00 0.00 H new ATOM 911 N GLN A 483 -7.811 6.519 -1.745 1.00 0.00 N ATOM 912 CA GLN A 483 -7.448 5.106 -1.725 1.00 0.00 C ATOM 913 C GLN A 483 -8.147 4.381 -0.580 1.00 0.00 C ATOM 914 O GLN A 483 -8.690 3.291 -0.761 1.00 0.00 O ATOM 915 CB GLN A 483 -5.932 4.949 -1.595 1.00 0.00 C ATOM 916 CG GLN A 483 -5.150 5.691 -2.667 1.00 0.00 C ATOM 917 CD GLN A 483 -5.441 5.177 -4.063 1.00 0.00 C ATOM 918 OE1 GLN A 483 -6.031 4.110 -4.234 1.00 0.00 O ATOM 919 NE2 GLN A 483 -5.028 5.936 -5.072 1.00 0.00 N ATOM 0 H GLN A 483 -7.024 7.155 -1.874 1.00 0.00 H new ATOM 0 HA GLN A 483 -7.773 4.660 -2.665 1.00 0.00 H new ATOM 0 HB2 GLN A 483 -5.620 5.309 -0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 483 -5.679 3.890 -1.640 1.00 0.00 H new ATOM 0 HG2 GLN A 483 -5.391 6.753 -2.617 1.00 0.00 H new ATOM 0 HG3 GLN A 483 -4.083 5.596 -2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 483 -4.543 6.813 -4.885 1.00 0.00 H new ATOM 0 HE22 GLN A 483 -5.196 5.641 -6.034 1.00 0.00 H new ATOM 928 N VAL A 484 -8.128 4.992 0.600 1.00 0.00 N ATOM 929 CA VAL A 484 -8.760 4.405 1.776 1.00 0.00 C ATOM 930 C VAL A 484 -10.024 3.641 1.396 1.00 0.00 C ATOM 931 O VAL A 484 -10.151 2.451 1.684 1.00 0.00 O ATOM 932 CB VAL A 484 -9.118 5.481 2.818 1.00 0.00 C ATOM 933 CG1 VAL A 484 -9.888 4.868 3.977 1.00 0.00 C ATOM 934 CG2 VAL A 484 -7.862 6.182 3.312 1.00 0.00 C ATOM 0 H VAL A 484 -7.682 5.894 0.767 1.00 0.00 H new ATOM 0 HA VAL A 484 -8.038 3.715 2.212 1.00 0.00 H new ATOM 0 HB VAL A 484 -9.758 6.224 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 484 -10.132 5.644 4.703 1.00 0.00 H new ATOM 0 HG12 VAL A 484 -10.808 4.417 3.605 1.00 0.00 H new ATOM 0 HG13 VAL A 484 -9.277 4.103 4.456 1.00 0.00 H new ATOM 0 HG21 VAL A 484 -8.133 6.939 4.048 1.00 0.00 H new ATOM 0 HG22 VAL A 484 -7.195 5.452 3.771 1.00 0.00 H new ATOM 0 HG23 VAL A 484 -7.356 6.657 2.472 1.00 0.00 H new ATOM 944 N GLN A 485 -10.955 4.333 0.748 1.00 0.00 N ATOM 945 CA GLN A 485 -12.210 3.719 0.329 1.00 0.00 C ATOM 946 C GLN A 485 -11.960 2.369 -0.334 1.00 0.00 C ATOM 947 O GLN A 485 -12.515 1.351 0.080 1.00 0.00 O ATOM 948 CB GLN A 485 -12.958 4.643 -0.633 1.00 0.00 C ATOM 949 CG GLN A 485 -13.570 5.859 0.043 1.00 0.00 C ATOM 950 CD GLN A 485 -14.643 5.489 1.048 1.00 0.00 C ATOM 951 OE1 GLN A 485 -14.225 5.144 2.260 1.00 0.00 O flip ATOM 952 NE2 GLN A 485 -15.834 5.513 0.739 1.00 0.00 N flip ATOM 0 H GLN A 485 -10.864 5.319 0.502 1.00 0.00 H new ATOM 0 HA GLN A 485 -12.822 3.559 1.217 1.00 0.00 H new ATOM 0 HB2 GLN A 485 -12.271 4.977 -1.410 1.00 0.00 H new ATOM 0 HB3 GLN A 485 -13.747 4.077 -1.127 1.00 0.00 H new ATOM 0 HG2 GLN A 485 -12.785 6.424 0.546 1.00 0.00 H new ATOM 0 HG3 GLN A 485 -13.998 6.515 -0.715 1.00 0.00 H new ATOM 0 HE21 GLN A 485 -16.111 5.784 -0.204 1.00 0.00 H new ATOM 0 HE22 GLN A 485 -16.544 5.261 1.426 1.00 0.00 H new ATOM 961 N ILE A 486 -11.122 2.368 -1.365 1.00 0.00 N ATOM 962 CA ILE A 486 -10.798 1.142 -2.085 1.00 0.00 C ATOM 963 C ILE A 486 -10.296 0.062 -1.133 1.00 0.00 C ATOM 964 O ILE A 486 -10.827 -1.048 -1.102 1.00 0.00 O ATOM 965 CB ILE A 486 -9.734 1.391 -3.170 1.00 0.00 C ATOM 966 CG1 ILE A 486 -10.301 2.281 -4.277 1.00 0.00 C ATOM 967 CG2 ILE A 486 -9.243 0.069 -3.743 1.00 0.00 C ATOM 968 CD1 ILE A 486 -10.237 3.758 -3.958 1.00 0.00 C ATOM 0 H ILE A 486 -10.655 3.202 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 486 -11.718 0.803 -2.562 1.00 0.00 H new ATOM 0 HB ILE A 486 -8.887 1.905 -2.716 1.00 0.00 H new ATOM 0 HG12 ILE A 486 -9.752 2.093 -5.200 1.00 0.00 H new ATOM 0 HG13 ILE A 486 -11.339 2.002 -4.461 1.00 0.00 H new ATOM 0 HG21 ILE A 486 -8.491 0.261 -4.509 1.00 0.00 H new ATOM 0 HG22 ILE A 486 -8.804 -0.532 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 486 -10.081 -0.470 -4.185 1.00 0.00 H new ATOM 0 HD11 ILE A 486 -10.656 4.328 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 486 -10.810 3.960 -3.053 1.00 0.00 H new ATOM 0 HD13 ILE A 486 -9.199 4.052 -3.804 1.00 0.00 H new ATOM 980 N ALA A 487 -9.270 0.396 -0.357 1.00 0.00 N ATOM 981 CA ALA A 487 -8.698 -0.544 0.599 1.00 0.00 C ATOM 982 C ALA A 487 -9.777 -1.135 1.500 1.00 0.00 C ATOM 983 O ALA A 487 -9.918 -2.354 1.599 1.00 0.00 O ATOM 984 CB ALA A 487 -7.626 0.139 1.435 1.00 0.00 C ATOM 0 H ALA A 487 -8.818 1.310 -0.372 1.00 0.00 H new ATOM 0 HA ALA A 487 -8.241 -1.360 0.039 1.00 0.00 H new ATOM 0 HB1 ALA A 487 -7.208 -0.575 2.144 1.00 0.00 H new ATOM 0 HB2 ALA A 487 -6.835 0.507 0.782 1.00 0.00 H new ATOM 0 HB3 ALA A 487 -8.066 0.975 1.979 1.00 0.00 H new ATOM 990 N VAL A 488 -10.536 -0.264 2.157 1.00 0.00 N ATOM 991 CA VAL A 488 -11.602 -0.700 3.051 1.00 0.00 C ATOM 992 C VAL A 488 -12.633 -1.540 2.306 1.00 0.00 C ATOM 993 O VAL A 488 -13.137 -2.532 2.831 1.00 0.00 O ATOM 994 CB VAL A 488 -12.311 0.500 3.706 1.00 0.00 C ATOM 995 CG1 VAL A 488 -13.423 0.025 4.629 1.00 0.00 C ATOM 996 CG2 VAL A 488 -11.311 1.361 4.463 1.00 0.00 C ATOM 0 H VAL A 488 -10.432 0.748 2.087 1.00 0.00 H new ATOM 0 HA VAL A 488 -11.136 -1.306 3.828 1.00 0.00 H new ATOM 0 HB VAL A 488 -12.759 1.108 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 488 -13.912 0.887 5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 488 -14.153 -0.546 4.055 1.00 0.00 H new ATOM 0 HG13 VAL A 488 -13.002 -0.606 5.411 1.00 0.00 H new ATOM 0 HG21 VAL A 488 -11.829 2.204 4.920 1.00 0.00 H new ATOM 0 HG22 VAL A 488 -10.833 0.765 5.240 1.00 0.00 H new ATOM 0 HG23 VAL A 488 -10.554 1.731 3.772 1.00 0.00 H new ATOM 1006 N ASN A 489 -12.943 -1.136 1.078 1.00 0.00 N ATOM 1007 CA ASN A 489 -13.915 -1.852 0.260 1.00 0.00 C ATOM 1008 C ASN A 489 -13.573 -3.337 0.184 1.00 0.00 C ATOM 1009 O ASN A 489 -14.333 -4.186 0.651 1.00 0.00 O ATOM 1010 CB ASN A 489 -13.966 -1.256 -1.148 1.00 0.00 C ATOM 1011 CG ASN A 489 -15.087 -1.843 -1.984 1.00 0.00 C ATOM 1012 OD1 ASN A 489 -16.202 -2.035 -1.500 1.00 0.00 O ATOM 1013 ND2 ASN A 489 -14.794 -2.130 -3.247 1.00 0.00 N ATOM 0 H ASN A 489 -12.535 -0.317 0.628 1.00 0.00 H new ATOM 0 HA ASN A 489 -14.894 -1.746 0.727 1.00 0.00 H new ATOM 0 HB2 ASN A 489 -14.096 -0.176 -1.078 1.00 0.00 H new ATOM 0 HB3 ASN A 489 -13.013 -1.431 -1.648 1.00 0.00 H new ATOM 0 HD21 ASN A 489 -15.507 -2.527 -3.859 1.00 0.00 H new ATOM 0 HD22 ASN A 489 -13.855 -1.954 -3.606 1.00 0.00 H new ATOM 1020 N THR A 490 -12.423 -3.644 -0.409 1.00 0.00 N ATOM 1021 CA THR A 490 -11.980 -5.025 -0.548 1.00 0.00 C ATOM 1022 C THR A 490 -11.935 -5.727 0.805 1.00 0.00 C ATOM 1023 O THR A 490 -12.263 -6.909 0.913 1.00 0.00 O ATOM 1024 CB THR A 490 -10.587 -5.106 -1.200 1.00 0.00 C ATOM 1025 OG1 THR A 490 -9.619 -4.454 -0.371 1.00 0.00 O ATOM 1026 CG2 THR A 490 -10.597 -4.461 -2.578 1.00 0.00 C ATOM 0 H THR A 490 -11.782 -2.954 -0.801 1.00 0.00 H new ATOM 0 HA THR A 490 -12.704 -5.525 -1.191 1.00 0.00 H new ATOM 0 HB THR A 490 -10.322 -6.158 -1.309 1.00 0.00 H new ATOM 0 HG1 THR A 490 -10.060 -3.760 0.163 1.00 0.00 H new ATOM 0 HG21 THR A 490 -9.603 -4.530 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 490 -11.314 -4.977 -3.216 1.00 0.00 H new ATOM 0 HG23 THR A 490 -10.882 -3.413 -2.487 1.00 0.00 H new ATOM 1034 N SER A 491 -11.528 -4.992 1.835 1.00 0.00 N ATOM 1035 CA SER A 491 -11.439 -5.545 3.181 1.00 0.00 C ATOM 1036 C SER A 491 -12.778 -6.130 3.619 1.00 0.00 C ATOM 1037 O SER A 491 -12.828 -7.092 4.385 1.00 0.00 O ATOM 1038 CB SER A 491 -10.993 -4.466 4.170 1.00 0.00 C ATOM 1039 OG SER A 491 -11.139 -4.910 5.508 1.00 0.00 O ATOM 0 H SER A 491 -11.255 -4.012 1.763 1.00 0.00 H new ATOM 0 HA SER A 491 -10.700 -6.346 3.169 1.00 0.00 H new ATOM 0 HB2 SER A 491 -9.952 -4.204 3.982 1.00 0.00 H new ATOM 0 HB3 SER A 491 -11.582 -3.562 4.017 1.00 0.00 H new ATOM 0 HG SER A 491 -10.826 -5.836 5.582 1.00 0.00 H new ATOM 1045 N LYS A 492 -13.863 -5.542 3.125 1.00 0.00 N ATOM 1046 CA LYS A 492 -15.204 -6.003 3.462 1.00 0.00 C ATOM 1047 C LYS A 492 -15.348 -7.498 3.196 1.00 0.00 C ATOM 1048 O LYS A 492 -15.547 -8.287 4.120 1.00 0.00 O ATOM 1049 CB LYS A 492 -16.250 -5.228 2.658 1.00 0.00 C ATOM 1050 CG LYS A 492 -16.359 -3.765 3.053 1.00 0.00 C ATOM 1051 CD LYS A 492 -17.382 -3.561 4.158 1.00 0.00 C ATOM 1052 CE LYS A 492 -17.113 -2.283 4.938 1.00 0.00 C ATOM 1053 NZ LYS A 492 -17.672 -1.087 4.250 1.00 0.00 N ATOM 0 H LYS A 492 -13.839 -4.745 2.489 1.00 0.00 H new ATOM 0 HA LYS A 492 -15.366 -5.823 4.525 1.00 0.00 H new ATOM 0 HB2 LYS A 492 -16.002 -5.292 1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 492 -17.222 -5.704 2.788 1.00 0.00 H new ATOM 0 HG2 LYS A 492 -15.386 -3.403 3.385 1.00 0.00 H new ATOM 0 HG3 LYS A 492 -16.639 -3.172 2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 492 -18.382 -3.521 3.726 1.00 0.00 H new ATOM 0 HD3 LYS A 492 -17.361 -4.414 4.837 1.00 0.00 H new ATOM 0 HE2 LYS A 492 -17.549 -2.366 5.934 1.00 0.00 H new ATOM 0 HE3 LYS A 492 -16.038 -2.157 5.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 492 -17.468 -0.236 4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 492 -17.238 -0.993 3.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 492 -18.701 -1.195 4.147 1.00 0.00 H new ATOM 1067 N TYR A 493 -15.246 -7.881 1.928 1.00 0.00 N ATOM 1068 CA TYR A 493 -15.366 -9.281 1.540 1.00 0.00 C ATOM 1069 C TYR A 493 -14.197 -10.099 2.082 1.00 0.00 C ATOM 1070 O TYR A 493 -14.377 -11.217 2.564 1.00 0.00 O ATOM 1071 CB TYR A 493 -15.428 -9.407 0.017 1.00 0.00 C ATOM 1072 CG TYR A 493 -14.076 -9.319 -0.653 1.00 0.00 C ATOM 1073 CD1 TYR A 493 -13.217 -10.411 -0.676 1.00 0.00 C ATOM 1074 CD2 TYR A 493 -13.656 -8.143 -1.264 1.00 0.00 C ATOM 1075 CE1 TYR A 493 -11.980 -10.335 -1.287 1.00 0.00 C ATOM 1076 CE2 TYR A 493 -12.422 -8.059 -1.878 1.00 0.00 C ATOM 1077 CZ TYR A 493 -11.588 -9.157 -1.887 1.00 0.00 C ATOM 1078 OH TYR A 493 -10.357 -9.076 -2.497 1.00 0.00 O ATOM 0 H TYR A 493 -15.080 -7.241 1.151 1.00 0.00 H new ATOM 0 HA TYR A 493 -16.289 -9.672 1.968 1.00 0.00 H new ATOM 0 HB2 TYR A 493 -15.891 -10.359 -0.242 1.00 0.00 H new ATOM 0 HB3 TYR A 493 -16.072 -8.621 -0.378 1.00 0.00 H new ATOM 0 HD1 TYR A 493 -13.522 -11.335 -0.208 1.00 0.00 H new ATOM 0 HD2 TYR A 493 -14.306 -7.280 -1.258 1.00 0.00 H new ATOM 0 HE1 TYR A 493 -11.324 -11.193 -1.295 1.00 0.00 H new ATOM 0 HE2 TYR A 493 -12.112 -7.138 -2.349 1.00 0.00 H new ATOM 0 HH TYR A 493 -10.236 -8.179 -2.872 1.00 0.00 H new ATOM 1088 N ALA A 494 -12.998 -9.531 1.999 1.00 0.00 N ATOM 1089 CA ALA A 494 -11.799 -10.205 2.483 1.00 0.00 C ATOM 1090 C ALA A 494 -11.976 -10.674 3.923 1.00 0.00 C ATOM 1091 O ALA A 494 -12.186 -9.866 4.826 1.00 0.00 O ATOM 1092 CB ALA A 494 -10.594 -9.283 2.370 1.00 0.00 C ATOM 0 H ALA A 494 -12.831 -8.607 1.601 1.00 0.00 H new ATOM 0 HA ALA A 494 -11.630 -11.084 1.861 1.00 0.00 H new ATOM 0 HB1 ALA A 494 -9.706 -9.799 2.735 1.00 0.00 H new ATOM 0 HB2 ALA A 494 -10.448 -9.002 1.327 1.00 0.00 H new ATOM 0 HB3 ALA A 494 -10.764 -8.387 2.967 1.00 0.00 H new ATOM 1098 N GLU A 495 -11.891 -11.985 4.128 1.00 0.00 N ATOM 1099 CA GLU A 495 -12.043 -12.560 5.459 1.00 0.00 C ATOM 1100 C GLU A 495 -10.683 -12.840 6.090 1.00 0.00 C ATOM 1101 O GLU A 495 -10.492 -12.648 7.291 1.00 0.00 O ATOM 1102 CB GLU A 495 -12.861 -13.852 5.390 1.00 0.00 C ATOM 1103 CG GLU A 495 -14.361 -13.628 5.487 1.00 0.00 C ATOM 1104 CD GLU A 495 -14.776 -13.023 6.813 1.00 0.00 C ATOM 1105 OE1 GLU A 495 -14.773 -13.753 7.826 1.00 0.00 O ATOM 1106 OE2 GLU A 495 -15.105 -11.818 6.838 1.00 0.00 O ATOM 0 H GLU A 495 -11.718 -12.668 3.390 1.00 0.00 H new ATOM 0 HA GLU A 495 -12.570 -11.837 6.081 1.00 0.00 H new ATOM 0 HB2 GLU A 495 -12.638 -14.364 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 495 -12.548 -14.514 6.197 1.00 0.00 H new ATOM 0 HG2 GLU A 495 -14.680 -12.972 4.677 1.00 0.00 H new ATOM 0 HG3 GLU A 495 -14.876 -14.579 5.349 1.00 0.00 H new ATOM 1113 N SER A 496 -9.740 -13.295 5.272 1.00 0.00 N ATOM 1114 CA SER A 496 -8.397 -13.606 5.749 1.00 0.00 C ATOM 1115 C SER A 496 -7.855 -12.476 6.619 1.00 0.00 C ATOM 1116 O SER A 496 -7.344 -12.711 7.714 1.00 0.00 O ATOM 1117 CB SER A 496 -7.457 -13.852 4.568 1.00 0.00 C ATOM 1118 OG SER A 496 -7.387 -12.714 3.726 1.00 0.00 O ATOM 0 H SER A 496 -9.881 -13.457 4.275 1.00 0.00 H new ATOM 0 HA SER A 496 -8.453 -14.512 6.353 1.00 0.00 H new ATOM 0 HB2 SER A 496 -6.461 -14.097 4.937 1.00 0.00 H new ATOM 0 HB3 SER A 496 -7.805 -14.711 3.995 1.00 0.00 H new ATOM 0 HG SER A 496 -6.779 -12.896 2.980 1.00 0.00 H new ATOM 1124 N TYR A 497 -7.971 -11.249 6.124 1.00 0.00 N ATOM 1125 CA TYR A 497 -7.490 -10.082 6.853 1.00 0.00 C ATOM 1126 C TYR A 497 -8.636 -9.124 7.164 1.00 0.00 C ATOM 1127 O TYR A 497 -9.724 -9.236 6.599 1.00 0.00 O ATOM 1128 CB TYR A 497 -6.410 -9.359 6.047 1.00 0.00 C ATOM 1129 CG TYR A 497 -6.929 -8.718 4.779 1.00 0.00 C ATOM 1130 CD1 TYR A 497 -7.634 -7.522 4.820 1.00 0.00 C ATOM 1131 CD2 TYR A 497 -6.715 -9.310 3.540 1.00 0.00 C ATOM 1132 CE1 TYR A 497 -8.110 -6.933 3.664 1.00 0.00 C ATOM 1133 CE2 TYR A 497 -7.186 -8.728 2.379 1.00 0.00 C ATOM 1134 CZ TYR A 497 -7.883 -7.540 2.446 1.00 0.00 C ATOM 1135 OH TYR A 497 -8.355 -6.958 1.292 1.00 0.00 O ATOM 0 H TYR A 497 -8.394 -11.037 5.221 1.00 0.00 H new ATOM 0 HA TYR A 497 -7.061 -10.425 7.795 1.00 0.00 H new ATOM 0 HB2 TYR A 497 -5.954 -8.591 6.672 1.00 0.00 H new ATOM 0 HB3 TYR A 497 -5.624 -10.069 5.790 1.00 0.00 H new ATOM 0 HD1 TYR A 497 -7.813 -7.044 5.772 1.00 0.00 H new ATOM 0 HD2 TYR A 497 -6.171 -10.241 3.484 1.00 0.00 H new ATOM 0 HE1 TYR A 497 -8.657 -6.003 3.714 1.00 0.00 H new ATOM 0 HE2 TYR A 497 -7.009 -9.201 1.424 1.00 0.00 H new ATOM 0 HH TYR A 497 -8.109 -7.512 0.522 1.00 0.00 H new ATOM 1145 N ARG A 498 -8.383 -8.181 8.065 1.00 0.00 N ATOM 1146 CA ARG A 498 -9.392 -7.202 8.452 1.00 0.00 C ATOM 1147 C ARG A 498 -8.802 -5.795 8.482 1.00 0.00 C ATOM 1148 O ARG A 498 -7.801 -5.546 9.154 1.00 0.00 O ATOM 1149 CB ARG A 498 -9.973 -7.553 9.823 1.00 0.00 C ATOM 1150 CG ARG A 498 -11.070 -6.605 10.279 1.00 0.00 C ATOM 1151 CD ARG A 498 -11.629 -7.011 11.634 1.00 0.00 C ATOM 1152 NE ARG A 498 -12.707 -6.126 12.069 1.00 0.00 N ATOM 1153 CZ ARG A 498 -13.393 -6.301 13.193 1.00 0.00 C ATOM 1154 NH1 ARG A 498 -13.114 -7.322 13.991 1.00 0.00 N ATOM 1155 NH2 ARG A 498 -14.359 -5.453 13.521 1.00 0.00 N ATOM 0 H ARG A 498 -7.487 -8.074 8.541 1.00 0.00 H new ATOM 0 HA ARG A 498 -10.190 -7.226 7.710 1.00 0.00 H new ATOM 0 HB2 ARG A 498 -10.371 -8.567 9.791 1.00 0.00 H new ATOM 0 HB3 ARG A 498 -9.170 -7.548 10.561 1.00 0.00 H new ATOM 0 HG2 ARG A 498 -10.675 -5.591 10.336 1.00 0.00 H new ATOM 0 HG3 ARG A 498 -11.873 -6.594 9.542 1.00 0.00 H new ATOM 0 HD2 ARG A 498 -11.999 -8.035 11.581 1.00 0.00 H new ATOM 0 HD3 ARG A 498 -10.829 -6.999 12.374 1.00 0.00 H new ATOM 0 HE ARG A 498 -12.946 -5.330 11.477 1.00 0.00 H new ATOM 0 HH11 ARG A 498 -12.371 -7.975 13.743 1.00 0.00 H new ATOM 0 HH12 ARG A 498 -13.642 -7.454 14.854 1.00 0.00 H new ATOM 0 HH21 ARG A 498 -14.576 -4.666 12.910 1.00 0.00 H new ATOM 0 HH22 ARG A 498 -14.885 -5.588 14.384 1.00 0.00 H new ATOM 1169 N ILE A 499 -9.429 -4.881 7.749 1.00 0.00 N ATOM 1170 CA ILE A 499 -8.966 -3.500 7.693 1.00 0.00 C ATOM 1171 C ILE A 499 -10.017 -2.545 8.250 1.00 0.00 C ATOM 1172 O ILE A 499 -11.215 -2.739 8.046 1.00 0.00 O ATOM 1173 CB ILE A 499 -8.620 -3.080 6.252 1.00 0.00 C ATOM 1174 CG1 ILE A 499 -7.564 -4.019 5.664 1.00 0.00 C ATOM 1175 CG2 ILE A 499 -8.130 -1.640 6.223 1.00 0.00 C ATOM 1176 CD1 ILE A 499 -7.127 -3.638 4.268 1.00 0.00 C ATOM 0 H ILE A 499 -10.258 -5.072 7.186 1.00 0.00 H new ATOM 0 HA ILE A 499 -8.066 -3.444 8.305 1.00 0.00 H new ATOM 0 HB ILE A 499 -9.521 -3.149 5.643 1.00 0.00 H new ATOM 0 HG12 ILE A 499 -6.693 -4.028 6.319 1.00 0.00 H new ATOM 0 HG13 ILE A 499 -7.961 -5.034 5.647 1.00 0.00 H new ATOM 0 HG21 ILE A 499 -7.890 -1.358 5.198 1.00 0.00 H new ATOM 0 HG22 ILE A 499 -8.910 -0.982 6.607 1.00 0.00 H new ATOM 0 HG23 ILE A 499 -7.239 -1.546 6.844 1.00 0.00 H new ATOM 0 HD11 ILE A 499 -6.378 -4.347 3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 499 -7.988 -3.657 3.599 1.00 0.00 H new ATOM 0 HD13 ILE A 499 -6.700 -2.635 4.281 1.00 0.00 H new ATOM 1188 N GLN A 500 -9.559 -1.514 8.952 1.00 0.00 N ATOM 1189 CA GLN A 500 -10.460 -0.528 9.537 1.00 0.00 C ATOM 1190 C GLN A 500 -9.849 0.869 9.480 1.00 0.00 C ATOM 1191 O GLN A 500 -8.743 1.055 8.972 1.00 0.00 O ATOM 1192 CB GLN A 500 -10.783 -0.897 10.985 1.00 0.00 C ATOM 1193 CG GLN A 500 -11.476 -2.243 11.130 1.00 0.00 C ATOM 1194 CD GLN A 500 -11.228 -2.885 12.481 1.00 0.00 C ATOM 1195 OE1 GLN A 500 -12.154 -3.074 13.270 1.00 0.00 O ATOM 1196 NE2 GLN A 500 -9.973 -3.224 12.754 1.00 0.00 N ATOM 0 H GLN A 500 -8.570 -1.340 9.130 1.00 0.00 H new ATOM 0 HA GLN A 500 -11.382 -0.526 8.956 1.00 0.00 H new ATOM 0 HB2 GLN A 500 -9.859 -0.909 11.563 1.00 0.00 H new ATOM 0 HB3 GLN A 500 -11.418 -0.123 11.416 1.00 0.00 H new ATOM 0 HG2 GLN A 500 -12.548 -2.113 10.985 1.00 0.00 H new ATOM 0 HG3 GLN A 500 -11.128 -2.913 10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 500 -9.237 -3.049 12.070 1.00 0.00 H new ATOM 0 HE22 GLN A 500 -9.745 -3.660 13.648 1.00 0.00 H new ATOM 1205 N THR A 501 -10.578 1.850 10.004 1.00 0.00 N ATOM 1206 CA THR A 501 -10.109 3.230 10.012 1.00 0.00 C ATOM 1207 C THR A 501 -9.426 3.571 11.331 1.00 0.00 C ATOM 1208 O THR A 501 -9.878 3.160 12.400 1.00 0.00 O ATOM 1209 CB THR A 501 -11.267 4.217 9.776 1.00 0.00 C ATOM 1210 OG1 THR A 501 -12.366 3.899 10.638 1.00 0.00 O ATOM 1211 CG2 THR A 501 -11.725 4.178 8.326 1.00 0.00 C ATOM 0 H THR A 501 -11.496 1.714 10.428 1.00 0.00 H new ATOM 0 HA THR A 501 -9.389 3.324 9.199 1.00 0.00 H new ATOM 0 HB THR A 501 -10.909 5.222 10.000 1.00 0.00 H new ATOM 0 HG1 THR A 501 -13.097 4.532 10.483 1.00 0.00 H new ATOM 0 HG21 THR A 501 -12.544 4.884 8.184 1.00 0.00 H new ATOM 0 HG22 THR A 501 -10.894 4.450 7.675 1.00 0.00 H new ATOM 0 HG23 THR A 501 -12.066 3.173 8.079 1.00 0.00 H new ATOM 1219 N TYR A 502 -8.335 4.325 11.249 1.00 0.00 N ATOM 1220 CA TYR A 502 -7.588 4.720 12.437 1.00 0.00 C ATOM 1221 C TYR A 502 -8.528 5.214 13.533 1.00 0.00 C ATOM 1222 O TYR A 502 -8.325 4.934 14.714 1.00 0.00 O ATOM 1223 CB TYR A 502 -6.575 5.812 12.089 1.00 0.00 C ATOM 1224 CG TYR A 502 -5.829 6.350 13.288 1.00 0.00 C ATOM 1225 CD1 TYR A 502 -4.828 5.605 13.900 1.00 0.00 C ATOM 1226 CD2 TYR A 502 -6.124 7.604 13.810 1.00 0.00 C ATOM 1227 CE1 TYR A 502 -4.144 6.093 14.997 1.00 0.00 C ATOM 1228 CE2 TYR A 502 -5.444 8.100 14.905 1.00 0.00 C ATOM 1229 CZ TYR A 502 -4.455 7.341 15.495 1.00 0.00 C ATOM 1230 OH TYR A 502 -3.776 7.831 16.587 1.00 0.00 O ATOM 0 H TYR A 502 -7.949 4.675 10.372 1.00 0.00 H new ATOM 0 HA TYR A 502 -7.055 3.844 12.807 1.00 0.00 H new ATOM 0 HB2 TYR A 502 -5.856 5.414 11.373 1.00 0.00 H new ATOM 0 HB3 TYR A 502 -7.094 6.634 11.596 1.00 0.00 H new ATOM 0 HD1 TYR A 502 -4.581 4.628 13.512 1.00 0.00 H new ATOM 0 HD2 TYR A 502 -6.898 8.201 13.351 1.00 0.00 H new ATOM 0 HE1 TYR A 502 -3.370 5.500 15.462 1.00 0.00 H new ATOM 0 HE2 TYR A 502 -5.685 9.077 15.297 1.00 0.00 H new ATOM 0 HH TYR A 502 -4.115 8.723 16.810 1.00 0.00 H new ATOM 1240 N ALA A 503 -9.559 5.950 13.131 1.00 0.00 N ATOM 1241 CA ALA A 503 -10.533 6.481 14.076 1.00 0.00 C ATOM 1242 C ALA A 503 -11.370 5.363 14.689 1.00 0.00 C ATOM 1243 O ALA A 503 -11.800 5.457 15.838 1.00 0.00 O ATOM 1244 CB ALA A 503 -11.431 7.501 13.392 1.00 0.00 C ATOM 0 H ALA A 503 -9.741 6.192 12.157 1.00 0.00 H new ATOM 0 HA ALA A 503 -9.989 6.975 14.881 1.00 0.00 H new ATOM 0 HB1 ALA A 503 -12.154 7.889 14.110 1.00 0.00 H new ATOM 0 HB2 ALA A 503 -10.824 8.321 13.009 1.00 0.00 H new ATOM 0 HB3 ALA A 503 -11.960 7.025 12.567 1.00 0.00 H new ATOM 1250 N GLU A 504 -11.598 4.308 13.913 1.00 0.00 N ATOM 1251 CA GLU A 504 -12.385 3.173 14.381 1.00 0.00 C ATOM 1252 C GLU A 504 -11.614 2.367 15.422 1.00 0.00 C ATOM 1253 O GLU A 504 -12.187 1.882 16.397 1.00 0.00 O ATOM 1254 CB GLU A 504 -12.770 2.272 13.205 1.00 0.00 C ATOM 1255 CG GLU A 504 -14.066 2.680 12.525 1.00 0.00 C ATOM 1256 CD GLU A 504 -15.291 2.331 13.347 1.00 0.00 C ATOM 1257 OE1 GLU A 504 -15.756 1.175 13.256 1.00 0.00 O ATOM 1258 OE2 GLU A 504 -15.785 3.212 14.080 1.00 0.00 O ATOM 0 H GLU A 504 -11.249 4.216 12.959 1.00 0.00 H new ATOM 0 HA GLU A 504 -13.292 3.560 14.846 1.00 0.00 H new ATOM 0 HB2 GLU A 504 -11.965 2.284 12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 504 -12.863 1.246 13.560 1.00 0.00 H new ATOM 0 HG2 GLU A 504 -14.052 3.754 12.339 1.00 0.00 H new ATOM 0 HG3 GLU A 504 -14.133 2.189 11.554 1.00 0.00 H new ATOM 1265 N TYR A 505 -10.310 2.229 15.207 1.00 0.00 N ATOM 1266 CA TYR A 505 -9.459 1.480 16.124 1.00 0.00 C ATOM 1267 C TYR A 505 -9.193 2.280 17.396 1.00 0.00 C ATOM 1268 O TYR A 505 -9.431 1.802 18.505 1.00 0.00 O ATOM 1269 CB TYR A 505 -8.136 1.121 15.447 1.00 0.00 C ATOM 1270 CG TYR A 505 -7.075 0.637 16.410 1.00 0.00 C ATOM 1271 CD1 TYR A 505 -7.016 -0.696 16.798 1.00 0.00 C ATOM 1272 CD2 TYR A 505 -6.131 1.513 16.931 1.00 0.00 C ATOM 1273 CE1 TYR A 505 -6.049 -1.142 17.678 1.00 0.00 C ATOM 1274 CE2 TYR A 505 -5.159 1.075 17.811 1.00 0.00 C ATOM 1275 CZ TYR A 505 -5.123 -0.253 18.181 1.00 0.00 C ATOM 1276 OH TYR A 505 -4.157 -0.693 19.057 1.00 0.00 O ATOM 0 H TYR A 505 -9.820 2.626 14.406 1.00 0.00 H new ATOM 0 HA TYR A 505 -9.980 0.562 16.396 1.00 0.00 H new ATOM 0 HB2 TYR A 505 -8.318 0.348 14.701 1.00 0.00 H new ATOM 0 HB3 TYR A 505 -7.761 1.995 14.915 1.00 0.00 H new ATOM 0 HD1 TYR A 505 -7.739 -1.396 16.405 1.00 0.00 H new ATOM 0 HD2 TYR A 505 -6.157 2.554 16.644 1.00 0.00 H new ATOM 0 HE1 TYR A 505 -6.019 -2.181 17.970 1.00 0.00 H new ATOM 0 HE2 TYR A 505 -4.432 1.769 18.206 1.00 0.00 H new ATOM 0 HH TYR A 505 -3.583 0.058 19.316 1.00 0.00 H new ATOM 1286 N VAL A 506 -8.696 3.501 17.226 1.00 0.00 N ATOM 1287 CA VAL A 506 -8.398 4.370 18.358 1.00 0.00 C ATOM 1288 C VAL A 506 -9.629 4.571 19.236 1.00 0.00 C ATOM 1289 O VAL A 506 -9.515 4.893 20.418 1.00 0.00 O ATOM 1290 CB VAL A 506 -7.884 5.744 17.891 1.00 0.00 C ATOM 1291 CG1 VAL A 506 -6.478 5.624 17.324 1.00 0.00 C ATOM 1292 CG2 VAL A 506 -8.832 6.347 16.865 1.00 0.00 C ATOM 0 H VAL A 506 -8.491 3.911 16.315 1.00 0.00 H new ATOM 0 HA VAL A 506 -7.618 3.877 18.938 1.00 0.00 H new ATOM 0 HB VAL A 506 -7.846 6.410 18.753 1.00 0.00 H new ATOM 0 HG11 VAL A 506 -6.132 6.605 16.999 1.00 0.00 H new ATOM 0 HG12 VAL A 506 -5.808 5.239 18.092 1.00 0.00 H new ATOM 0 HG13 VAL A 506 -6.486 4.942 16.474 1.00 0.00 H new ATOM 0 HG21 VAL A 506 -8.453 7.318 16.546 1.00 0.00 H new ATOM 0 HG22 VAL A 506 -8.904 5.684 16.003 1.00 0.00 H new ATOM 0 HG23 VAL A 506 -9.819 6.471 17.310 1.00 0.00 H new