USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 470 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 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00702) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 28 MET CE :methyl 173:sc= 0 (180deg=-0.0746) USER MOD Single : A 32 SER OG : rot 180:sc= -0.0262 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -0.584 F(o=-1.1,f=-0.58) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 65:sc= 0.449 USER MOD Single : A 58 MET CE :methyl -128:sc= -0.71 (180deg=-1.99) USER MOD Single : A 60 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.32) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -170:sc= -0.824 (180deg=-1.02) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.018) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.231 1.719 6.310 1.00 0.00 N ATOM 320 CA VAL A 25 4.817 0.375 5.926 1.00 0.00 C ATOM 321 C VAL A 25 6.002 -0.586 5.923 1.00 0.00 C ATOM 322 O VAL A 25 6.629 -0.809 4.888 1.00 0.00 O ATOM 323 CB VAL A 25 4.160 0.366 4.533 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.561 -1.000 4.232 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.101 1.453 4.434 1.00 0.00 C ATOM 0 HA VAL A 25 4.087 0.046 6.666 1.00 0.00 H new ATOM 0 HB VAL A 25 4.930 0.571 3.789 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.102 -0.986 3.244 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.347 -1.755 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.805 -1.239 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.648 1.431 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.332 1.282 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.562 2.427 4.600 1.00 0.00 H new ATOM 335 N SER A 26 6.302 -1.150 7.087 1.00 0.00 N ATOM 336 CA SER A 26 7.411 -2.087 7.218 1.00 0.00 C ATOM 337 C SER A 26 7.088 -3.411 6.535 1.00 0.00 C ATOM 338 O SER A 26 5.983 -3.605 6.026 1.00 0.00 O ATOM 339 CB SER A 26 7.734 -2.327 8.694 1.00 0.00 C ATOM 340 OG SER A 26 8.953 -3.033 8.843 1.00 0.00 O ATOM 0 H SER A 26 5.793 -0.975 7.953 1.00 0.00 H new ATOM 0 HA SER A 26 8.282 -1.649 6.730 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.798 -1.372 9.215 1.00 0.00 H new ATOM 0 HB3 SER A 26 6.925 -2.890 9.159 1.00 0.00 H new ATOM 0 HG SER A 26 9.136 -3.172 9.796 1.00 0.00 H new ATOM 346 N ALA A 27 8.057 -4.321 6.526 1.00 0.00 N ATOM 347 CA ALA A 27 7.874 -5.628 5.906 1.00 0.00 C ATOM 348 C ALA A 27 6.692 -6.369 6.522 1.00 0.00 C ATOM 349 O ALA A 27 6.005 -7.135 5.846 1.00 0.00 O ATOM 350 CB ALA A 27 9.143 -6.456 6.037 1.00 0.00 C ATOM 0 H ALA A 27 8.977 -4.177 6.941 1.00 0.00 H new ATOM 0 HA ALA A 27 7.660 -5.473 4.848 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.992 -7.429 5.570 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.967 -5.940 5.543 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.381 -6.593 7.092 1.00 0.00 H new ATOM 356 N MET A 28 6.458 -6.132 7.809 1.00 0.00 N ATOM 357 CA MET A 28 5.358 -6.776 8.517 1.00 0.00 C ATOM 358 C MET A 28 4.017 -6.189 8.087 1.00 0.00 C ATOM 359 O MET A 28 2.995 -6.876 8.100 1.00 0.00 O ATOM 360 CB MET A 28 5.535 -6.620 10.028 1.00 0.00 C ATOM 361 CG MET A 28 4.451 -7.306 10.843 1.00 0.00 C ATOM 362 SD MET A 28 5.063 -7.948 12.412 1.00 0.00 S ATOM 363 CE MET A 28 3.995 -9.369 12.637 1.00 0.00 C ATOM 0 H MET A 28 7.015 -5.499 8.382 1.00 0.00 H new ATOM 0 HA MET A 28 5.368 -7.836 8.265 1.00 0.00 H new ATOM 0 HB2 MET A 28 6.505 -7.026 10.315 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.547 -5.559 10.276 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.644 -6.599 11.034 1.00 0.00 H new ATOM 0 HG3 MET A 28 4.027 -8.124 10.261 1.00 0.00 H new ATOM 0 HE1 MET A 28 4.330 -9.943 13.501 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.971 -9.032 12.800 1.00 0.00 H new ATOM 0 HE3 MET A 28 4.033 -9.997 11.747 1.00 0.00 H new ATOM 373 N PHE A 29 4.028 -4.915 7.707 1.00 0.00 N ATOM 374 CA PHE A 29 2.811 -4.237 7.275 1.00 0.00 C ATOM 375 C PHE A 29 2.456 -4.617 5.840 1.00 0.00 C ATOM 376 O PHE A 29 1.284 -4.781 5.504 1.00 0.00 O ATOM 377 CB PHE A 29 2.980 -2.721 7.385 1.00 0.00 C ATOM 378 CG PHE A 29 1.681 -1.968 7.354 1.00 0.00 C ATOM 379 CD1 PHE A 29 0.899 -1.958 6.211 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.243 -1.271 8.469 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.298 -1.266 6.179 1.00 0.00 C ATOM 382 CE2 PHE A 29 0.047 -0.577 8.443 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.723 -0.576 7.297 1.00 0.00 C ATOM 0 H PHE A 29 4.865 -4.332 7.689 1.00 0.00 H new ATOM 0 HA PHE A 29 1.998 -4.554 7.928 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.503 -2.488 8.312 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.611 -2.374 6.567 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.228 -2.497 5.335 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.842 -1.270 9.368 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.899 -1.265 5.282 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.284 -0.037 9.318 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.658 -0.036 7.275 1.00 0.00 H new ATOM 393 N ILE A 30 3.476 -4.758 5.000 1.00 0.00 N ATOM 394 CA ILE A 30 3.269 -5.119 3.602 1.00 0.00 C ATOM 395 C ILE A 30 2.682 -6.522 3.482 1.00 0.00 C ATOM 396 O ILE A 30 1.772 -6.758 2.687 1.00 0.00 O ATOM 397 CB ILE A 30 4.585 -5.050 2.802 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.240 -3.678 2.972 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.329 -5.339 1.329 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.727 -3.678 2.687 1.00 0.00 C ATOM 0 H ILE A 30 4.453 -4.628 5.262 1.00 0.00 H new ATOM 0 HA ILE A 30 2.566 -4.397 3.187 1.00 0.00 H new ATOM 0 HB ILE A 30 5.265 -5.809 3.188 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.751 -2.966 2.307 1.00 0.00 H new ATOM 0 HG13 ILE A 30 5.074 -3.329 3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.269 -5.286 0.779 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.902 -6.336 1.223 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.633 -4.602 0.929 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.124 -2.673 2.827 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.228 -4.365 3.369 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.900 -3.996 1.659 1.00 0.00 H new ATOM 412 N PHE A 31 3.207 -7.449 4.276 1.00 0.00 N ATOM 413 CA PHE A 31 2.734 -8.828 4.259 1.00 0.00 C ATOM 414 C PHE A 31 1.313 -8.919 4.804 1.00 0.00 C ATOM 415 O PHE A 31 0.503 -9.714 4.325 1.00 0.00 O ATOM 416 CB PHE A 31 3.667 -9.720 5.079 1.00 0.00 C ATOM 417 CG PHE A 31 3.255 -11.166 5.098 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.608 -12.014 4.061 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.515 -11.675 6.154 1.00 0.00 C ATOM 420 CE1 PHE A 31 3.232 -13.343 4.077 1.00 0.00 C ATOM 421 CE2 PHE A 31 2.136 -13.003 6.175 1.00 0.00 C ATOM 422 CZ PHE A 31 2.494 -13.839 5.134 1.00 0.00 C ATOM 0 H PHE A 31 3.961 -7.270 4.940 1.00 0.00 H new ATOM 0 HA PHE A 31 2.731 -9.174 3.225 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.677 -9.644 4.675 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.704 -9.348 6.103 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.184 -11.632 3.231 1.00 0.00 H new ATOM 0 HD2 PHE A 31 2.232 -11.026 6.969 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.515 -13.994 3.263 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.561 -13.388 7.004 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.197 -14.877 5.147 1.00 0.00 H new ATOM 432 N SER A 32 1.016 -8.102 5.809 1.00 0.00 N ATOM 433 CA SER A 32 -0.307 -8.089 6.421 1.00 0.00 C ATOM 434 C SER A 32 -1.313 -7.341 5.548 1.00 0.00 C ATOM 435 O SER A 32 -2.521 -7.531 5.679 1.00 0.00 O ATOM 436 CB SER A 32 -0.243 -7.448 7.808 1.00 0.00 C ATOM 437 OG SER A 32 -1.543 -7.213 8.322 1.00 0.00 O ATOM 0 H SER A 32 1.675 -7.439 6.217 1.00 0.00 H new ATOM 0 HA SER A 32 -0.641 -9.122 6.518 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.308 -8.098 8.487 1.00 0.00 H new ATOM 0 HB3 SER A 32 0.305 -6.507 7.752 1.00 0.00 H new ATOM 0 HG SER A 32 -1.475 -6.804 9.210 1.00 0.00 H new ATOM 443 N GLU A 33 -0.808 -6.488 4.661 1.00 0.00 N ATOM 444 CA GLU A 33 -1.669 -5.713 3.774 1.00 0.00 C ATOM 445 C GLU A 33 -1.782 -6.374 2.403 1.00 0.00 C ATOM 446 O GLU A 33 -2.793 -6.229 1.716 1.00 0.00 O ATOM 447 CB GLU A 33 -1.132 -4.289 3.623 1.00 0.00 C ATOM 448 CG GLU A 33 -2.208 -3.263 3.312 1.00 0.00 C ATOM 449 CD GLU A 33 -1.684 -2.100 2.492 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.963 -2.348 1.503 1.00 0.00 O ATOM 451 OE2 GLU A 33 -1.995 -0.941 2.840 1.00 0.00 O ATOM 0 H GLU A 33 0.190 -6.317 4.538 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.663 -5.675 4.220 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.623 -4.002 4.543 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.386 -4.273 2.828 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.021 -3.747 2.771 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.626 -2.886 4.245 1.00 0.00 H new ATOM 458 N GLU A 34 -0.739 -7.097 2.009 1.00 0.00 N ATOM 459 CA GLU A 34 -0.723 -7.774 0.717 1.00 0.00 C ATOM 460 C GLU A 34 -1.374 -9.152 0.812 1.00 0.00 C ATOM 461 O GLU A 34 -1.951 -9.643 -0.158 1.00 0.00 O ATOM 462 CB GLU A 34 0.713 -7.912 0.208 1.00 0.00 C ATOM 463 CG GLU A 34 0.813 -8.026 -1.305 1.00 0.00 C ATOM 464 CD GLU A 34 2.118 -7.474 -1.845 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.761 -6.671 -1.138 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.497 -7.846 -2.975 1.00 0.00 O ATOM 0 H GLU A 34 0.106 -7.229 2.565 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.296 -7.170 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.291 -7.049 0.538 1.00 0.00 H new ATOM 0 HB3 GLU A 34 1.168 -8.793 0.661 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.718 -9.073 -1.594 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.020 -7.492 -1.762 1.00 0.00 H new ATOM 473 N LYS A 35 -1.277 -9.770 1.984 1.00 0.00 N ATOM 474 CA LYS A 35 -1.856 -11.092 2.200 1.00 0.00 C ATOM 475 C LYS A 35 -3.329 -10.989 2.584 1.00 0.00 C ATOM 476 O LYS A 35 -4.122 -11.883 2.288 1.00 0.00 O ATOM 477 CB LYS A 35 -1.084 -11.841 3.287 1.00 0.00 C ATOM 478 CG LYS A 35 0.369 -12.107 2.926 1.00 0.00 C ATOM 479 CD LYS A 35 0.533 -13.443 2.216 1.00 0.00 C ATOM 480 CE LYS A 35 1.313 -13.294 0.920 1.00 0.00 C ATOM 481 NZ LYS A 35 2.224 -14.449 0.684 1.00 0.00 N ATOM 0 H LYS A 35 -0.804 -9.378 2.798 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.783 -11.647 1.265 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.121 -11.264 4.211 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.581 -12.791 3.485 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.738 -11.306 2.286 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.977 -12.098 3.831 1.00 0.00 H new ATOM 0 HD2 LYS A 35 1.048 -14.144 2.873 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.449 -13.866 2.004 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.617 -13.204 0.086 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.895 -12.373 0.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 2.687 -14.343 -0.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.947 -14.480 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.675 -15.332 0.697 1.00 0.00 H new ATOM 495 N ARG A 36 -3.690 -9.895 3.248 1.00 0.00 N ATOM 496 CA ARG A 36 -5.069 -9.679 3.673 1.00 0.00 C ATOM 497 C ARG A 36 -6.016 -9.683 2.477 1.00 0.00 C ATOM 498 O ARG A 36 -7.151 -10.149 2.573 1.00 0.00 O ATOM 499 CB ARG A 36 -5.188 -8.355 4.430 1.00 0.00 C ATOM 500 CG ARG A 36 -6.598 -8.055 4.917 1.00 0.00 C ATOM 501 CD ARG A 36 -6.809 -6.564 5.124 1.00 0.00 C ATOM 502 NE ARG A 36 -6.786 -5.828 3.863 1.00 0.00 N ATOM 503 CZ ARG A 36 -6.589 -4.514 3.774 1.00 0.00 C ATOM 504 NH1 ARG A 36 -6.397 -3.789 4.869 1.00 0.00 N ATOM 505 NH2 ARG A 36 -6.583 -3.924 2.586 1.00 0.00 N ATOM 0 H ARG A 36 -3.047 -9.145 3.503 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.351 -10.496 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.514 -8.374 5.286 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.857 -7.544 3.781 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.322 -8.429 4.193 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.781 -8.583 5.853 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.764 -6.399 5.623 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.033 -6.176 5.784 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.929 -6.351 2.999 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.400 -4.238 5.785 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.247 -2.783 4.795 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.729 -4.477 1.741 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.432 -2.918 2.517 1.00 0.00 H new ATOM 519 N ARG A 37 -5.541 -9.161 1.351 1.00 0.00 N ATOM 520 CA ARG A 37 -6.346 -9.106 0.136 1.00 0.00 C ATOM 521 C ARG A 37 -6.625 -10.507 -0.399 1.00 0.00 C ATOM 522 O ARG A 37 -7.659 -10.751 -1.019 1.00 0.00 O ATOM 523 CB ARG A 37 -5.638 -8.272 -0.933 1.00 0.00 C ATOM 524 CG ARG A 37 -6.589 -7.614 -1.920 1.00 0.00 C ATOM 525 CD ARG A 37 -5.834 -6.869 -3.008 1.00 0.00 C ATOM 526 NE ARG A 37 -5.382 -7.762 -4.072 1.00 0.00 N ATOM 527 CZ ARG A 37 -6.172 -8.217 -5.043 1.00 0.00 C ATOM 528 NH1 ARG A 37 -7.451 -7.866 -5.087 1.00 0.00 N ATOM 529 NH2 ARG A 37 -5.681 -9.026 -5.972 1.00 0.00 N ATOM 0 H ARG A 37 -4.604 -8.770 1.254 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.298 -8.636 0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.043 -7.500 -0.445 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -4.945 -8.911 -1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.227 -8.373 -2.373 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.243 -6.922 -1.390 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -6.477 -6.097 -3.431 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.974 -6.363 -2.570 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.405 -8.054 -4.071 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.834 -7.244 -4.375 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.051 -8.218 -5.833 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -4.699 -9.300 -5.943 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.286 -9.375 -6.716 1.00 0.00 H new ATOM 543 N GLN A 38 -5.695 -11.425 -0.154 1.00 0.00 N ATOM 544 CA GLN A 38 -5.841 -12.802 -0.611 1.00 0.00 C ATOM 545 C GLN A 38 -6.815 -13.570 0.277 1.00 0.00 C ATOM 546 O GLN A 38 -7.647 -14.334 -0.212 1.00 0.00 O ATOM 547 CB GLN A 38 -4.482 -13.505 -0.622 1.00 0.00 C ATOM 548 CG GLN A 38 -3.436 -12.789 -1.461 1.00 0.00 C ATOM 549 CD GLN A 38 -3.120 -13.522 -2.751 1.00 0.00 C ATOM 550 OE1 GLN A 38 -3.495 -13.080 -3.837 1.00 0.00 O ATOM 551 NE2 GLN A 38 -2.429 -14.650 -2.637 1.00 0.00 N ATOM 0 H GLN A 38 -4.833 -11.240 0.358 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.240 -12.781 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.118 -13.591 0.402 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.609 -14.519 -1.002 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.789 -11.785 -1.695 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.522 -12.678 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.138 -14.979 -1.716 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -2.189 -15.187 -3.470 1.00 0.00 H new ATOM 560 N LEU A 39 -6.706 -13.361 1.585 1.00 0.00 N ATOM 561 CA LEU A 39 -7.576 -14.035 2.542 1.00 0.00 C ATOM 562 C LEU A 39 -9.001 -13.499 2.454 1.00 0.00 C ATOM 563 O LEU A 39 -9.966 -14.235 2.657 1.00 0.00 O ATOM 564 CB LEU A 39 -7.039 -13.858 3.964 1.00 0.00 C ATOM 565 CG LEU A 39 -5.776 -14.659 4.283 1.00 0.00 C ATOM 566 CD1 LEU A 39 -5.149 -14.174 5.580 1.00 0.00 C ATOM 567 CD2 LEU A 39 -6.095 -16.144 4.365 1.00 0.00 C ATOM 0 H LEU A 39 -6.024 -12.730 2.006 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.591 -15.097 2.296 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.832 -12.801 4.129 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.820 -14.143 4.669 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.058 -14.505 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.252 -14.756 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.885 -13.121 5.485 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.861 -14.297 6.396 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.185 -16.700 4.593 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.831 -16.315 5.151 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.498 -16.483 3.411 1.00 0.00 H new ATOM 579 N GLN A 40 -9.126 -12.210 2.151 1.00 0.00 N ATOM 580 CA GLN A 40 -10.434 -11.576 2.037 1.00 0.00 C ATOM 581 C GLN A 40 -11.234 -12.183 0.888 1.00 0.00 C ATOM 582 O GLN A 40 -12.433 -12.431 1.017 1.00 0.00 O ATOM 583 CB GLN A 40 -10.276 -10.067 1.828 1.00 0.00 C ATOM 584 CG GLN A 40 -10.895 -9.233 2.938 1.00 0.00 C ATOM 585 CD GLN A 40 -10.290 -7.846 3.031 1.00 0.00 C ATOM 586 OE1 GLN A 40 -10.199 -7.320 4.247 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -9.906 -7.255 2.021 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.338 -11.585 1.980 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.979 -11.751 2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.215 -9.828 1.753 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.733 -9.790 0.878 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.968 -9.147 2.767 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -10.764 -9.747 3.890 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.995 -7.697 1.106 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.499 -6.323 2.099 1.00 0.00 H new ATOM 596 N GLU A 41 -10.563 -12.418 -0.235 1.00 0.00 N ATOM 597 CA GLU A 41 -11.212 -12.995 -1.406 1.00 0.00 C ATOM 598 C GLU A 41 -11.481 -14.483 -1.202 1.00 0.00 C ATOM 599 O GLU A 41 -12.518 -14.999 -1.617 1.00 0.00 O ATOM 600 CB GLU A 41 -10.345 -12.787 -2.650 1.00 0.00 C ATOM 601 CG GLU A 41 -10.644 -11.493 -3.390 1.00 0.00 C ATOM 602 CD GLU A 41 -10.488 -11.632 -4.891 1.00 0.00 C ATOM 603 OE1 GLU A 41 -9.670 -12.469 -5.328 1.00 0.00 O ATOM 604 OE2 GLU A 41 -11.184 -10.904 -5.631 1.00 0.00 O ATOM 0 H GLU A 41 -9.571 -12.218 -0.358 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.167 -12.488 -1.548 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.295 -12.794 -2.356 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.491 -13.627 -3.329 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.661 -11.175 -3.162 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -9.977 -10.710 -3.030 1.00 0.00 H new ATOM 611 N GLU A 42 -10.539 -15.165 -0.559 1.00 0.00 N ATOM 612 CA GLU A 42 -10.674 -16.594 -0.300 1.00 0.00 C ATOM 613 C GLU A 42 -11.743 -16.856 0.757 1.00 0.00 C ATOM 614 O GLU A 42 -12.426 -17.880 0.724 1.00 0.00 O ATOM 615 CB GLU A 42 -9.337 -17.180 0.156 1.00 0.00 C ATOM 616 CG GLU A 42 -8.307 -17.282 -0.957 1.00 0.00 C ATOM 617 CD GLU A 42 -7.683 -18.660 -1.052 1.00 0.00 C ATOM 618 OE1 GLU A 42 -6.841 -18.992 -0.190 1.00 0.00 O ATOM 619 OE2 GLU A 42 -8.036 -19.409 -1.986 1.00 0.00 O ATOM 0 H GLU A 42 -9.675 -14.752 -0.208 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.978 -17.079 -1.228 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.933 -16.562 0.958 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.508 -18.172 0.574 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.780 -17.035 -1.908 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.523 -16.543 -0.790 1.00 0.00 H new ATOM 626 N ARG A 43 -11.884 -15.923 1.693 1.00 0.00 N ATOM 627 CA ARG A 43 -12.869 -16.053 2.759 1.00 0.00 C ATOM 628 C ARG A 43 -13.648 -14.751 2.942 1.00 0.00 C ATOM 629 O ARG A 43 -13.325 -13.941 3.810 1.00 0.00 O ATOM 630 CB ARG A 43 -12.185 -16.439 4.071 1.00 0.00 C ATOM 631 CG ARG A 43 -11.493 -17.792 4.021 1.00 0.00 C ATOM 632 CD ARG A 43 -12.322 -18.870 4.700 1.00 0.00 C ATOM 633 NE ARG A 43 -11.910 -20.213 4.296 1.00 0.00 N ATOM 634 CZ ARG A 43 -12.205 -21.316 4.980 1.00 0.00 C ATOM 635 NH1 ARG A 43 -12.911 -21.242 6.102 1.00 0.00 N ATOM 636 NH2 ARG A 43 -11.792 -22.498 4.543 1.00 0.00 N ATOM 0 H ARG A 43 -11.328 -15.069 1.734 1.00 0.00 H new ATOM 0 HA ARG A 43 -13.569 -16.839 2.478 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -11.452 -15.674 4.328 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -12.927 -16.449 4.869 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -11.313 -18.071 2.983 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -10.519 -17.721 4.506 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -12.228 -18.772 5.782 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -13.375 -18.725 4.457 1.00 0.00 H new ATOM 0 HE ARG A 43 -11.364 -20.311 3.440 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -13.231 -20.336 6.445 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -13.134 -22.091 6.621 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -11.248 -22.562 3.682 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -12.018 -23.343 5.067 1.00 0.00 H new ATOM 650 N PRO A 44 -14.691 -14.535 2.121 1.00 0.00 N ATOM 651 CA PRO A 44 -15.518 -13.326 2.196 1.00 0.00 C ATOM 652 C PRO A 44 -16.314 -13.242 3.495 1.00 0.00 C ATOM 653 O PRO A 44 -16.786 -12.172 3.876 1.00 0.00 O ATOM 654 CB PRO A 44 -16.463 -13.460 0.997 1.00 0.00 C ATOM 655 CG PRO A 44 -16.507 -14.920 0.708 1.00 0.00 C ATOM 656 CD PRO A 44 -15.146 -15.451 1.060 1.00 0.00 C ATOM 0 HA PRO A 44 -14.911 -12.421 2.177 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.455 -13.073 1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -16.095 -12.898 0.139 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -17.282 -15.411 1.296 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.739 -15.104 -0.341 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.194 -16.482 1.411 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.474 -15.438 0.202 1.00 0.00 H new ATOM 664 N GLU A 45 -16.462 -14.378 4.172 1.00 0.00 N ATOM 665 CA GLU A 45 -17.202 -14.427 5.427 1.00 0.00 C ATOM 666 C GLU A 45 -16.397 -13.795 6.557 1.00 0.00 C ATOM 667 O GLU A 45 -16.960 -13.231 7.495 1.00 0.00 O ATOM 668 CB GLU A 45 -17.551 -15.874 5.781 1.00 0.00 C ATOM 669 CG GLU A 45 -18.429 -16.004 7.014 1.00 0.00 C ATOM 670 CD GLU A 45 -18.683 -17.449 7.399 1.00 0.00 C ATOM 671 OE1 GLU A 45 -18.652 -18.316 6.502 1.00 0.00 O ATOM 672 OE2 GLU A 45 -18.912 -17.711 8.599 1.00 0.00 O ATOM 0 H GLU A 45 -16.079 -15.275 3.872 1.00 0.00 H new ATOM 0 HA GLU A 45 -18.124 -13.859 5.300 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -18.059 -16.334 4.933 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -16.629 -16.432 5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.956 -15.487 7.849 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -19.382 -15.508 6.831 1.00 0.00 H new ATOM 679 N LEU A 46 -15.075 -13.895 6.462 1.00 0.00 N ATOM 680 CA LEU A 46 -14.190 -13.332 7.476 1.00 0.00 C ATOM 681 C LEU A 46 -13.787 -11.906 7.116 1.00 0.00 C ATOM 682 O LEU A 46 -13.460 -11.615 5.965 1.00 0.00 O ATOM 683 CB LEU A 46 -12.943 -14.203 7.631 1.00 0.00 C ATOM 684 CG LEU A 46 -13.147 -15.492 8.430 1.00 0.00 C ATOM 685 CD1 LEU A 46 -11.931 -16.397 8.305 1.00 0.00 C ATOM 686 CD2 LEU A 46 -13.429 -15.172 9.891 1.00 0.00 C ATOM 0 H LEU A 46 -14.593 -14.361 5.693 1.00 0.00 H new ATOM 0 HA LEU A 46 -14.730 -13.309 8.423 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.575 -14.463 6.639 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -12.165 -13.613 8.115 1.00 0.00 H new ATOM 0 HG LEU A 46 -14.008 -16.019 8.020 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -12.095 -17.308 8.880 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.774 -16.652 7.257 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -11.051 -15.880 8.688 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -13.572 -16.099 10.446 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -12.587 -14.623 10.312 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -14.331 -14.564 9.963 1.00 0.00 H new ATOM 698 N SER A 47 -13.813 -11.022 8.108 1.00 0.00 N ATOM 699 CA SER A 47 -13.451 -9.625 7.895 1.00 0.00 C ATOM 700 C SER A 47 -11.977 -9.392 8.214 1.00 0.00 C ATOM 701 O SER A 47 -11.308 -10.260 8.774 1.00 0.00 O ATOM 702 CB SER A 47 -14.322 -8.713 8.759 1.00 0.00 C ATOM 703 OG SER A 47 -15.598 -8.521 8.172 1.00 0.00 O ATOM 0 H SER A 47 -14.081 -11.248 9.066 1.00 0.00 H new ATOM 0 HA SER A 47 -13.620 -9.387 6.845 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.437 -9.148 9.752 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.829 -7.750 8.888 1.00 0.00 H new ATOM 0 HG SER A 47 -16.137 -7.936 8.744 1.00 0.00 H new ATOM 709 N GLU A 48 -11.479 -8.213 7.853 1.00 0.00 N ATOM 710 CA GLU A 48 -10.085 -7.865 8.101 1.00 0.00 C ATOM 711 C GLU A 48 -9.769 -7.904 9.593 1.00 0.00 C ATOM 712 O GLU A 48 -8.640 -8.191 9.991 1.00 0.00 O ATOM 713 CB GLU A 48 -9.777 -6.475 7.540 1.00 0.00 C ATOM 714 CG GLU A 48 -10.701 -5.388 8.067 1.00 0.00 C ATOM 715 CD GLU A 48 -9.951 -4.278 8.777 1.00 0.00 C ATOM 716 OE1 GLU A 48 -9.273 -3.486 8.089 1.00 0.00 O ATOM 717 OE2 GLU A 48 -10.043 -4.199 10.020 1.00 0.00 O ATOM 0 H GLU A 48 -12.020 -7.484 7.388 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.459 -8.601 7.597 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -8.747 -6.214 7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.850 -6.507 6.453 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -11.268 -4.965 7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.422 -5.831 8.754 1.00 0.00 H new ATOM 724 N SER A 49 -10.773 -7.614 10.414 1.00 0.00 N ATOM 725 CA SER A 49 -10.602 -7.617 11.863 1.00 0.00 C ATOM 726 C SER A 49 -10.145 -8.987 12.354 1.00 0.00 C ATOM 727 O SER A 49 -9.419 -9.092 13.344 1.00 0.00 O ATOM 728 CB SER A 49 -11.910 -7.225 12.552 1.00 0.00 C ATOM 729 OG SER A 49 -12.103 -5.821 12.521 1.00 0.00 O ATOM 0 H SER A 49 -11.714 -7.374 10.101 1.00 0.00 H new ATOM 0 HA SER A 49 -9.834 -6.886 12.115 1.00 0.00 H new ATOM 0 HB2 SER A 49 -12.747 -7.721 12.060 1.00 0.00 H new ATOM 0 HB3 SER A 49 -11.898 -7.571 13.586 1.00 0.00 H new ATOM 0 HG SER A 49 -12.947 -5.597 12.966 1.00 0.00 H new ATOM 735 N GLU A 50 -10.574 -10.034 11.658 1.00 0.00 N ATOM 736 CA GLU A 50 -10.208 -11.397 12.023 1.00 0.00 C ATOM 737 C GLU A 50 -8.930 -11.828 11.309 1.00 0.00 C ATOM 738 O GLU A 50 -8.149 -12.619 11.837 1.00 0.00 O ATOM 739 CB GLU A 50 -11.346 -12.362 11.682 1.00 0.00 C ATOM 740 CG GLU A 50 -12.609 -12.123 12.491 1.00 0.00 C ATOM 741 CD GLU A 50 -12.786 -13.132 13.609 1.00 0.00 C ATOM 742 OE1 GLU A 50 -11.766 -13.672 14.087 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.943 -13.382 14.006 1.00 0.00 O ATOM 0 H GLU A 50 -11.176 -9.965 10.837 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.029 -11.422 13.098 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.581 -12.273 10.622 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.006 -13.384 11.848 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.580 -11.119 12.914 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.474 -12.165 11.829 1.00 0.00 H new ATOM 750 N LEU A 51 -8.726 -11.302 10.106 1.00 0.00 N ATOM 751 CA LEU A 51 -7.543 -11.631 9.319 1.00 0.00 C ATOM 752 C LEU A 51 -6.272 -11.173 10.028 1.00 0.00 C ATOM 753 O LEU A 51 -5.216 -11.789 9.890 1.00 0.00 O ATOM 754 CB LEU A 51 -7.629 -10.984 7.936 1.00 0.00 C ATOM 755 CG LEU A 51 -8.776 -11.487 7.056 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.713 -10.843 5.679 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.733 -13.004 6.939 1.00 0.00 C ATOM 0 H LEU A 51 -9.364 -10.646 9.655 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.504 -12.714 9.205 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -7.733 -9.906 8.062 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.688 -11.154 7.413 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.719 -11.205 7.525 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.536 -11.212 5.067 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.793 -9.761 5.780 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.765 -11.094 5.203 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.556 -13.344 6.310 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.786 -13.308 6.493 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.827 -13.448 7.930 1.00 0.00 H new ATOM 769 N THR A 52 -6.382 -10.086 10.787 1.00 0.00 N ATOM 770 CA THR A 52 -5.242 -9.543 11.517 1.00 0.00 C ATOM 771 C THR A 52 -4.629 -10.596 12.435 1.00 0.00 C ATOM 772 O THR A 52 -3.424 -10.584 12.693 1.00 0.00 O ATOM 773 CB THR A 52 -5.669 -8.324 12.336 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.350 -7.386 11.521 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.508 -7.606 12.990 1.00 0.00 C ATOM 0 H THR A 52 -7.250 -9.564 10.912 1.00 0.00 H new ATOM 0 HA THR A 52 -4.489 -9.240 10.789 1.00 0.00 H new ATOM 0 HB THR A 52 -6.320 -8.715 13.118 1.00 0.00 H new ATOM 0 HG1 THR A 52 -7.187 -7.780 11.199 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.880 -6.752 13.555 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.991 -8.289 13.664 1.00 0.00 H new ATOM 0 HG23 THR A 52 -3.816 -7.260 12.223 1.00 0.00 H new ATOM 783 N ARG A 53 -5.463 -11.506 12.925 1.00 0.00 N ATOM 784 CA ARG A 53 -5.002 -12.567 13.814 1.00 0.00 C ATOM 785 C ARG A 53 -4.315 -13.677 13.025 1.00 0.00 C ATOM 786 O ARG A 53 -3.401 -14.332 13.525 1.00 0.00 O ATOM 787 CB ARG A 53 -6.176 -13.141 14.609 1.00 0.00 C ATOM 788 CG ARG A 53 -6.932 -12.097 15.417 1.00 0.00 C ATOM 789 CD ARG A 53 -6.057 -11.487 16.500 1.00 0.00 C ATOM 790 NE ARG A 53 -6.142 -10.028 16.514 1.00 0.00 N ATOM 791 CZ ARG A 53 -5.739 -9.272 17.532 1.00 0.00 C ATOM 792 NH1 ARG A 53 -5.223 -9.832 18.620 1.00 0.00 N ATOM 793 NH2 ARG A 53 -5.852 -7.953 17.464 1.00 0.00 N ATOM 0 H ARG A 53 -6.462 -11.531 12.722 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.279 -12.138 14.507 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.868 -13.626 13.920 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.805 -13.912 15.284 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.290 -11.311 14.752 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.810 -12.554 15.873 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.358 -11.877 17.472 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.021 -11.789 16.342 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.533 -9.562 15.695 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.134 -10.846 18.678 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.916 -9.248 19.397 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -6.248 -7.517 16.631 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.543 -7.374 18.245 1.00 0.00 H new ATOM 807 N LEU A 54 -4.762 -13.882 11.790 1.00 0.00 N ATOM 808 CA LEU A 54 -4.189 -14.913 10.932 1.00 0.00 C ATOM 809 C LEU A 54 -2.936 -14.401 10.229 1.00 0.00 C ATOM 810 O LEU A 54 -2.000 -15.159 9.975 1.00 0.00 O ATOM 811 CB LEU A 54 -5.216 -15.373 9.897 1.00 0.00 C ATOM 812 CG LEU A 54 -4.937 -16.740 9.271 1.00 0.00 C ATOM 813 CD1 LEU A 54 -5.098 -17.843 10.305 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.859 -16.980 8.085 1.00 0.00 C ATOM 0 H LEU A 54 -5.518 -13.348 11.361 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.911 -15.760 11.560 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.198 -15.400 10.369 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.266 -14.629 9.102 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.907 -16.752 8.914 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.896 -18.809 9.842 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.397 -17.679 11.124 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.117 -17.833 10.692 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.647 -17.957 7.651 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.896 -16.948 8.418 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.695 -16.207 7.334 1.00 0.00 H new ATOM 826 N LEU A 55 -2.925 -13.109 9.918 1.00 0.00 N ATOM 827 CA LEU A 55 -1.787 -12.495 9.243 1.00 0.00 C ATOM 828 C LEU A 55 -0.577 -12.426 10.171 1.00 0.00 C ATOM 829 O LEU A 55 0.545 -12.727 9.766 1.00 0.00 O ATOM 830 CB LEU A 55 -2.151 -11.090 8.758 1.00 0.00 C ATOM 831 CG LEU A 55 -3.283 -11.036 7.730 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.949 -9.669 7.742 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.755 -11.362 6.340 1.00 0.00 C ATOM 0 H LEU A 55 -3.691 -12.467 10.122 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.530 -13.114 8.383 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.434 -10.486 9.620 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.263 -10.630 8.324 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.030 -11.783 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.752 -9.649 7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.361 -9.474 8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.213 -8.903 7.498 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.573 -11.319 5.621 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.989 -10.637 6.062 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.324 -12.363 6.340 1.00 0.00 H new ATOM 845 N ALA A 56 -0.814 -12.028 11.417 1.00 0.00 N ATOM 846 CA ALA A 56 0.255 -11.921 12.401 1.00 0.00 C ATOM 847 C ALA A 56 0.946 -13.264 12.610 1.00 0.00 C ATOM 848 O ALA A 56 2.152 -13.322 12.851 1.00 0.00 O ATOM 849 CB ALA A 56 -0.294 -11.396 13.720 1.00 0.00 C ATOM 0 H ALA A 56 -1.737 -11.774 11.768 1.00 0.00 H new ATOM 0 HA ALA A 56 0.996 -11.217 12.022 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.515 -11.321 14.447 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.735 -10.411 13.564 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.056 -12.079 14.095 1.00 0.00 H new ATOM 855 N ARG A 57 0.175 -14.341 12.517 1.00 0.00 N ATOM 856 CA ARG A 57 0.713 -15.685 12.695 1.00 0.00 C ATOM 857 C ARG A 57 1.426 -16.156 11.432 1.00 0.00 C ATOM 858 O ARG A 57 2.414 -16.888 11.502 1.00 0.00 O ATOM 859 CB ARG A 57 -0.408 -16.661 13.058 1.00 0.00 C ATOM 860 CG ARG A 57 0.093 -17.976 13.631 1.00 0.00 C ATOM 861 CD ARG A 57 -0.937 -18.608 14.554 1.00 0.00 C ATOM 862 NE ARG A 57 -1.803 -19.548 13.846 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.388 -20.715 13.358 1.00 0.00 C ATOM 864 NH1 ARG A 57 -0.122 -21.088 13.497 1.00 0.00 N ATOM 865 NH2 ARG A 57 -2.242 -21.511 12.729 1.00 0.00 N ATOM 0 H ARG A 57 -0.825 -14.310 12.319 1.00 0.00 H new ATOM 0 HA ARG A 57 1.437 -15.656 13.509 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.070 -16.187 13.783 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.003 -16.865 12.168 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.326 -18.664 12.818 1.00 0.00 H new ATOM 0 HG3 ARG A 57 1.019 -17.806 14.180 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.427 -19.126 15.366 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -1.545 -17.826 15.008 1.00 0.00 H new ATOM 0 HE ARG A 57 -2.783 -19.295 13.718 1.00 0.00 H new ATOM 0 HH11 ARG A 57 0.539 -20.479 13.980 1.00 0.00 H new ATOM 0 HH12 ARG A 57 0.190 -21.983 13.121 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.216 -21.229 12.619 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -1.925 -22.405 12.355 1.00 0.00 H new ATOM 879 N MET A 58 0.919 -15.732 10.279 1.00 0.00 N ATOM 880 CA MET A 58 1.508 -16.111 9.000 1.00 0.00 C ATOM 881 C MET A 58 2.926 -15.566 8.870 1.00 0.00 C ATOM 882 O MET A 58 3.825 -16.255 8.390 1.00 0.00 O ATOM 883 CB MET A 58 0.645 -15.600 7.845 1.00 0.00 C ATOM 884 CG MET A 58 -0.486 -16.542 7.467 1.00 0.00 C ATOM 885 SD MET A 58 -0.764 -16.615 5.687 1.00 0.00 S ATOM 886 CE MET A 58 -0.975 -14.878 5.306 1.00 0.00 C ATOM 0 H MET A 58 0.102 -15.126 10.204 1.00 0.00 H new ATOM 0 HA MET A 58 1.552 -17.199 8.958 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.225 -14.632 8.117 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.279 -15.438 6.973 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.259 -17.542 7.837 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.403 -16.220 7.961 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.900 -14.738 4.746 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.022 -14.305 6.232 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.132 -14.532 4.708 1.00 0.00 H new ATOM 896 N TRP A 59 3.119 -14.323 9.304 1.00 0.00 N ATOM 897 CA TRP A 59 4.429 -13.684 9.238 1.00 0.00 C ATOM 898 C TRP A 59 5.478 -14.508 9.979 1.00 0.00 C ATOM 899 O TRP A 59 6.620 -14.621 9.534 1.00 0.00 O ATOM 900 CB TRP A 59 4.360 -12.274 9.830 1.00 0.00 C ATOM 901 CG TRP A 59 5.658 -11.530 9.748 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.498 -11.233 10.783 1.00 0.00 C ATOM 903 CD2 TRP A 59 6.263 -10.988 8.570 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.590 -10.540 10.319 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.468 -10.377 8.963 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.904 -10.960 7.220 1.00 0.00 C ATOM 907 CZ2 TRP A 59 8.315 -9.746 8.055 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.745 -10.334 6.319 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.938 -9.735 6.740 1.00 0.00 C ATOM 0 H TRP A 59 2.385 -13.739 9.705 1.00 0.00 H new ATOM 0 HA TRP A 59 4.721 -13.619 8.190 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.590 -11.706 9.307 1.00 0.00 H new ATOM 0 HB3 TRP A 59 4.053 -12.341 10.874 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.329 -11.503 11.815 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.365 -10.202 10.890 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.985 -11.419 6.886 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 9.236 -9.282 8.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.477 -10.307 5.273 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.574 -9.254 6.012 1.00 0.00 H new ATOM 920 N ASN A 60 5.081 -15.082 11.109 1.00 0.00 N ATOM 921 CA ASN A 60 5.987 -15.897 11.910 1.00 0.00 C ATOM 922 C ASN A 60 6.361 -17.181 11.175 1.00 0.00 C ATOM 923 O ASN A 60 7.446 -17.725 11.371 1.00 0.00 O ATOM 924 CB ASN A 60 5.343 -16.237 13.256 1.00 0.00 C ATOM 925 CG ASN A 60 4.818 -15.008 13.973 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.397 -13.926 13.880 1.00 0.00 O ATOM 927 ND2 ASN A 60 3.716 -15.169 14.695 1.00 0.00 N ATOM 0 H ASN A 60 4.139 -14.998 11.491 1.00 0.00 H new ATOM 0 HA ASN A 60 6.896 -15.321 12.083 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.524 -16.939 13.097 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.075 -16.739 13.889 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.317 -14.378 15.200 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.268 -16.084 14.745 1.00 0.00 H new ATOM 934 N ASP A 61 5.454 -17.658 10.329 1.00 0.00 N ATOM 935 CA ASP A 61 5.689 -18.878 9.564 1.00 0.00 C ATOM 936 C ASP A 61 6.620 -18.614 8.384 1.00 0.00 C ATOM 937 O ASP A 61 7.333 -19.511 7.932 1.00 0.00 O ATOM 938 CB ASP A 61 4.362 -19.454 9.066 1.00 0.00 C ATOM 939 CG ASP A 61 4.252 -20.947 9.310 1.00 0.00 C ATOM 940 OD1 ASP A 61 5.305 -21.615 9.382 1.00 0.00 O ATOM 941 OD2 ASP A 61 3.115 -21.447 9.429 1.00 0.00 O ATOM 0 H ASP A 61 4.550 -17.219 10.156 1.00 0.00 H new ATOM 0 HA ASP A 61 6.168 -19.603 10.222 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.538 -18.945 9.566 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.260 -19.254 7.999 1.00 0.00 H new ATOM 946 N LEU A 62 6.610 -17.380 7.890 1.00 0.00 N ATOM 947 CA LEU A 62 7.454 -17.001 6.760 1.00 0.00 C ATOM 948 C LEU A 62 8.924 -17.280 7.058 1.00 0.00 C ATOM 949 O LEU A 62 9.315 -17.435 8.215 1.00 0.00 O ATOM 950 CB LEU A 62 7.262 -15.519 6.426 1.00 0.00 C ATOM 951 CG LEU A 62 5.828 -15.112 6.083 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.772 -13.649 5.675 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.273 -15.997 4.976 1.00 0.00 C ATOM 0 H LEU A 62 6.028 -16.625 8.253 1.00 0.00 H new ATOM 0 HA LEU A 62 7.156 -17.602 5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.599 -14.924 7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.906 -15.266 5.584 1.00 0.00 H new ATOM 0 HG LEU A 62 5.211 -15.245 6.972 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.744 -13.377 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.129 -13.028 6.497 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.403 -13.491 4.800 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.252 -15.693 4.745 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.892 -15.896 4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.277 -17.036 5.305 1.00 0.00 H new ATOM 965 N SER A 63 9.734 -17.342 6.006 1.00 0.00 N ATOM 966 CA SER A 63 11.162 -17.602 6.154 1.00 0.00 C ATOM 967 C SER A 63 11.976 -16.347 5.858 1.00 0.00 C ATOM 968 O SER A 63 11.421 -15.299 5.528 1.00 0.00 O ATOM 969 CB SER A 63 11.592 -18.737 5.222 1.00 0.00 C ATOM 970 OG SER A 63 10.581 -19.722 5.116 1.00 0.00 O ATOM 0 H SER A 63 9.426 -17.216 5.042 1.00 0.00 H new ATOM 0 HA SER A 63 11.349 -17.898 7.186 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.817 -18.335 4.234 1.00 0.00 H new ATOM 0 HB3 SER A 63 12.509 -19.192 5.597 1.00 0.00 H new ATOM 0 HG SER A 63 10.880 -20.435 4.514 1.00 0.00 H new ATOM 976 N GLU A 64 13.295 -16.461 5.978 1.00 0.00 N ATOM 977 CA GLU A 64 14.184 -15.335 5.722 1.00 0.00 C ATOM 978 C GLU A 64 14.196 -14.975 4.240 1.00 0.00 C ATOM 979 O GLU A 64 14.377 -13.814 3.874 1.00 0.00 O ATOM 980 CB GLU A 64 15.604 -15.661 6.190 1.00 0.00 C ATOM 981 CG GLU A 64 16.381 -14.447 6.669 1.00 0.00 C ATOM 982 CD GLU A 64 17.698 -14.817 7.324 1.00 0.00 C ATOM 983 OE1 GLU A 64 18.263 -15.871 6.965 1.00 0.00 O ATOM 984 OE2 GLU A 64 18.162 -14.054 8.197 1.00 0.00 O ATOM 0 H GLU A 64 13.771 -17.321 6.251 1.00 0.00 H new ATOM 0 HA GLU A 64 13.811 -14.478 6.283 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.553 -16.391 6.998 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.149 -16.130 5.371 1.00 0.00 H new ATOM 0 HG2 GLU A 64 16.573 -13.787 5.823 1.00 0.00 H new ATOM 0 HG3 GLU A 64 15.772 -13.887 7.378 1.00 0.00 H new ATOM 991 N LYS A 65 14.003 -15.979 3.391 1.00 0.00 N ATOM 992 CA LYS A 65 13.991 -15.770 1.948 1.00 0.00 C ATOM 993 C LYS A 65 12.682 -15.129 1.500 1.00 0.00 C ATOM 994 O LYS A 65 12.682 -14.181 0.713 1.00 0.00 O ATOM 995 CB LYS A 65 14.199 -17.097 1.218 1.00 0.00 C ATOM 996 CG LYS A 65 15.634 -17.598 1.260 1.00 0.00 C ATOM 997 CD LYS A 65 15.815 -18.690 2.302 1.00 0.00 C ATOM 998 CE LYS A 65 15.343 -20.039 1.785 1.00 0.00 C ATOM 999 NZ LYS A 65 16.478 -20.883 1.319 1.00 0.00 N ATOM 0 H LYS A 65 13.853 -16.946 3.678 1.00 0.00 H new ATOM 0 HA LYS A 65 14.808 -15.094 1.698 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.547 -17.851 1.660 1.00 0.00 H new ATOM 0 HB3 LYS A 65 13.894 -16.981 0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 65 15.915 -17.980 0.279 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.304 -16.767 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 65 16.866 -18.755 2.583 1.00 0.00 H new ATOM 0 HD3 LYS A 65 15.259 -18.430 3.203 1.00 0.00 H new ATOM 0 HE2 LYS A 65 14.802 -20.561 2.574 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.642 -19.888 0.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.114 -21.794 0.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.979 -20.396 0.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.134 -21.049 2.108 1.00 0.00 H new ATOM 1013 N LYS A 66 11.569 -15.653 2.001 1.00 0.00 N ATOM 1014 CA LYS A 66 10.253 -15.131 1.649 1.00 0.00 C ATOM 1015 C LYS A 66 10.046 -13.735 2.228 1.00 0.00 C ATOM 1016 O LYS A 66 9.358 -12.904 1.635 1.00 0.00 O ATOM 1017 CB LYS A 66 9.157 -16.072 2.152 1.00 0.00 C ATOM 1018 CG LYS A 66 9.037 -17.355 1.342 1.00 0.00 C ATOM 1019 CD LYS A 66 7.586 -17.695 1.046 1.00 0.00 C ATOM 1020 CE LYS A 66 7.062 -18.766 1.988 1.00 0.00 C ATOM 1021 NZ LYS A 66 6.493 -18.181 3.234 1.00 0.00 N ATOM 0 H LYS A 66 11.551 -16.438 2.652 1.00 0.00 H new ATOM 0 HA LYS A 66 10.196 -15.065 0.563 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.358 -16.327 3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.202 -15.548 2.131 1.00 0.00 H new ATOM 0 HG2 LYS A 66 9.585 -17.248 0.406 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.500 -18.176 1.889 1.00 0.00 H new ATOM 0 HD2 LYS A 66 6.975 -16.797 1.138 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.495 -18.039 0.016 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.297 -19.353 1.480 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.870 -19.451 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.303 -18.940 3.919 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.172 -17.508 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.606 -17.686 3.011 1.00 0.00 H new ATOM 1035 N LYS A 67 10.644 -13.483 3.387 1.00 0.00 N ATOM 1036 CA LYS A 67 10.523 -12.187 4.044 1.00 0.00 C ATOM 1037 C LYS A 67 11.373 -11.136 3.336 1.00 0.00 C ATOM 1038 O LYS A 67 11.040 -9.951 3.337 1.00 0.00 O ATOM 1039 CB LYS A 67 10.941 -12.293 5.512 1.00 0.00 C ATOM 1040 CG LYS A 67 9.788 -12.615 6.450 1.00 0.00 C ATOM 1041 CD LYS A 67 10.196 -13.620 7.515 1.00 0.00 C ATOM 1042 CE LYS A 67 9.413 -13.422 8.803 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.306 -13.115 9.955 1.00 0.00 N ATOM 0 H LYS A 67 11.218 -14.159 3.891 1.00 0.00 H new ATOM 0 HA LYS A 67 9.479 -11.879 3.993 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.704 -13.065 5.609 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.398 -11.353 5.820 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.440 -11.699 6.928 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.951 -13.012 5.876 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.034 -14.631 7.142 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.262 -13.522 7.718 1.00 0.00 H new ATOM 0 HE2 LYS A 67 8.698 -12.610 8.672 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.837 -14.322 9.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.733 -12.987 10.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.972 -13.901 10.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 10.837 -12.242 9.760 1.00 0.00 H new ATOM 1057 N ALA A 68 12.471 -11.579 2.731 1.00 0.00 N ATOM 1058 CA ALA A 68 13.368 -10.676 2.018 1.00 0.00 C ATOM 1059 C ALA A 68 12.629 -9.911 0.926 1.00 0.00 C ATOM 1060 O ALA A 68 12.996 -8.786 0.585 1.00 0.00 O ATOM 1061 CB ALA A 68 14.533 -11.453 1.424 1.00 0.00 C ATOM 0 H ALA A 68 12.761 -12.557 2.720 1.00 0.00 H new ATOM 0 HA ALA A 68 13.754 -9.950 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.195 -10.768 0.895 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.086 -11.947 2.223 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.154 -12.202 0.728 1.00 0.00 H new ATOM 1067 N LYS A 69 11.585 -10.526 0.379 1.00 0.00 N ATOM 1068 CA LYS A 69 10.795 -9.901 -0.675 1.00 0.00 C ATOM 1069 C LYS A 69 10.064 -8.670 -0.150 1.00 0.00 C ATOM 1070 O LYS A 69 9.880 -7.690 -0.871 1.00 0.00 O ATOM 1071 CB LYS A 69 9.789 -10.900 -1.250 1.00 0.00 C ATOM 1072 CG LYS A 69 10.340 -11.727 -2.400 1.00 0.00 C ATOM 1073 CD LYS A 69 10.069 -11.066 -3.742 1.00 0.00 C ATOM 1074 CE LYS A 69 10.143 -12.069 -4.882 1.00 0.00 C ATOM 1075 NZ LYS A 69 9.473 -11.563 -6.111 1.00 0.00 N ATOM 0 H LYS A 69 11.267 -11.457 0.649 1.00 0.00 H new ATOM 0 HA LYS A 69 11.476 -9.587 -1.466 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.462 -11.571 -0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.908 -10.358 -1.593 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.414 -11.862 -2.270 1.00 0.00 H new ATOM 0 HG3 LYS A 69 9.889 -12.719 -2.384 1.00 0.00 H new ATOM 0 HD2 LYS A 69 9.083 -10.602 -3.728 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.794 -10.269 -3.909 1.00 0.00 H new ATOM 0 HE2 LYS A 69 11.187 -12.291 -5.103 1.00 0.00 H new ATOM 0 HE3 LYS A 69 9.677 -13.005 -4.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 9.546 -12.276 -6.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 8.471 -11.375 -5.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 9.934 -10.684 -6.421 1.00 0.00 H new ATOM 1089 N TYR A 70 9.651 -8.727 1.112 1.00 0.00 N ATOM 1090 CA TYR A 70 8.939 -7.616 1.734 1.00 0.00 C ATOM 1091 C TYR A 70 9.909 -6.683 2.454 1.00 0.00 C ATOM 1092 O TYR A 70 9.701 -5.470 2.499 1.00 0.00 O ATOM 1093 CB TYR A 70 7.892 -8.139 2.720 1.00 0.00 C ATOM 1094 CG TYR A 70 7.006 -9.221 2.144 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.977 -8.906 1.265 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.198 -10.555 2.479 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.164 -9.892 0.736 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.390 -11.547 1.955 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.375 -11.210 1.086 1.00 0.00 C ATOM 1100 OH TYR A 70 4.568 -12.193 0.561 1.00 0.00 O ATOM 0 H TYR A 70 9.797 -9.530 1.724 1.00 0.00 H new ATOM 0 HA TYR A 70 8.437 -7.054 0.946 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.399 -8.528 3.603 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.269 -7.308 3.050 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.809 -7.875 0.991 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.992 -10.822 3.161 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.369 -9.632 0.053 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.553 -12.580 2.225 1.00 0.00 H new ATOM 0 HH TYR A 70 4.849 -13.066 0.907 1.00 0.00 H new ATOM 1110 N LYS A 71 10.967 -7.258 3.016 1.00 0.00 N ATOM 1111 CA LYS A 71 11.970 -6.477 3.734 1.00 0.00 C ATOM 1112 C LYS A 71 12.604 -5.432 2.821 1.00 0.00 C ATOM 1113 O LYS A 71 13.009 -4.362 3.274 1.00 0.00 O ATOM 1114 CB LYS A 71 13.049 -7.400 4.306 1.00 0.00 C ATOM 1115 CG LYS A 71 12.864 -7.707 5.784 1.00 0.00 C ATOM 1116 CD LYS A 71 12.679 -9.197 6.026 1.00 0.00 C ATOM 1117 CE LYS A 71 13.962 -9.845 6.520 1.00 0.00 C ATOM 1118 NZ LYS A 71 13.694 -10.948 7.483 1.00 0.00 N ATOM 0 H LYS A 71 11.153 -8.261 2.989 1.00 0.00 H new ATOM 0 HA LYS A 71 11.474 -5.958 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.050 -8.335 3.746 1.00 0.00 H new ATOM 0 HB3 LYS A 71 14.026 -6.939 4.158 1.00 0.00 H new ATOM 0 HG2 LYS A 71 13.731 -7.352 6.341 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.997 -7.166 6.163 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.887 -9.352 6.758 1.00 0.00 H new ATOM 0 HD3 LYS A 71 12.359 -9.680 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 71 14.522 -10.234 5.670 1.00 0.00 H new ATOM 0 HE3 LYS A 71 14.589 -9.091 6.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.595 -11.306 7.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.109 -10.591 8.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 13.191 -11.718 6.998 1.00 0.00 H new ATOM 1132 N ALA A 72 12.686 -5.751 1.533 1.00 0.00 N ATOM 1133 CA ALA A 72 13.271 -4.838 0.557 1.00 0.00 C ATOM 1134 C ALA A 72 12.348 -3.654 0.292 1.00 0.00 C ATOM 1135 O ALA A 72 12.798 -2.511 0.204 1.00 0.00 O ATOM 1136 CB ALA A 72 13.573 -5.576 -0.738 1.00 0.00 C ATOM 0 H ALA A 72 12.355 -6.633 1.141 1.00 0.00 H new ATOM 0 HA ALA A 72 14.204 -4.452 0.968 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.009 -4.884 -1.458 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.276 -6.385 -0.540 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.650 -5.989 -1.145 1.00 0.00 H new ATOM 1142 N ARG A 73 11.056 -3.935 0.162 1.00 0.00 N ATOM 1143 CA ARG A 73 10.069 -2.891 -0.094 1.00 0.00 C ATOM 1144 C ARG A 73 9.995 -1.912 1.073 1.00 0.00 C ATOM 1145 O ARG A 73 9.668 -0.739 0.891 1.00 0.00 O ATOM 1146 CB ARG A 73 8.693 -3.513 -0.342 1.00 0.00 C ATOM 1147 CG ARG A 73 8.543 -4.130 -1.723 1.00 0.00 C ATOM 1148 CD ARG A 73 7.345 -5.065 -1.787 1.00 0.00 C ATOM 1149 NE ARG A 73 6.863 -5.243 -3.155 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.200 -4.309 -3.834 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.940 -3.133 -3.278 1.00 0.00 N ATOM 1152 NH2 ARG A 73 5.797 -4.553 -5.074 1.00 0.00 N ATOM 0 H ARG A 73 10.668 -4.876 0.229 1.00 0.00 H new ATOM 0 HA ARG A 73 10.379 -2.343 -0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.509 -4.279 0.411 1.00 0.00 H new ATOM 0 HB3 ARG A 73 7.929 -2.747 -0.211 1.00 0.00 H new ATOM 0 HG2 ARG A 73 8.430 -3.340 -2.466 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.449 -4.680 -1.978 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.619 -6.034 -1.370 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.541 -4.667 -1.168 1.00 0.00 H new ATOM 0 HE ARG A 73 7.045 -6.134 -3.616 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.248 -2.940 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 73 5.432 -2.422 -3.803 1.00 0.00 H new ATOM 0 HH21 ARG A 73 5.995 -5.455 -5.506 1.00 0.00 H new ATOM 0 HH22 ARG A 73 5.289 -3.838 -5.595 1.00 0.00 H new ATOM 1166 N GLU A 74 10.298 -2.401 2.271 1.00 0.00 N ATOM 1167 CA GLU A 74 10.266 -1.569 3.469 1.00 0.00 C ATOM 1168 C GLU A 74 11.194 -0.367 3.326 1.00 0.00 C ATOM 1169 O GLU A 74 10.924 0.706 3.864 1.00 0.00 O ATOM 1170 CB GLU A 74 10.663 -2.393 4.696 1.00 0.00 C ATOM 1171 CG GLU A 74 10.650 -1.598 5.993 1.00 0.00 C ATOM 1172 CD GLU A 74 12.041 -1.190 6.438 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.633 -0.300 5.792 1.00 0.00 O ATOM 1174 OE2 GLU A 74 12.537 -1.759 7.433 1.00 0.00 O ATOM 0 H GLU A 74 10.569 -3.370 2.438 1.00 0.00 H new ATOM 0 HA GLU A 74 9.248 -1.202 3.598 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.982 -3.239 4.791 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.661 -2.803 4.541 1.00 0.00 H new ATOM 0 HG2 GLU A 74 10.038 -0.706 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 74 10.182 -2.194 6.776 1.00 0.00 H new ATOM 1181 N ALA A 75 12.290 -0.555 2.598 1.00 0.00 N ATOM 1182 CA ALA A 75 13.258 0.513 2.386 1.00 0.00 C ATOM 1183 C ALA A 75 12.706 1.579 1.447 1.00 0.00 C ATOM 1184 O ALA A 75 13.060 2.754 1.547 1.00 0.00 O ATOM 1185 CB ALA A 75 14.559 -0.054 1.835 1.00 0.00 C ATOM 0 H ALA A 75 12.529 -1.437 2.145 1.00 0.00 H new ATOM 0 HA ALA A 75 13.457 0.983 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.273 0.756 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.972 -0.772 2.543 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.365 -0.552 0.885 1.00 0.00 H new ATOM 1191 N ALA A 76 11.835 1.162 0.533 1.00 0.00 N ATOM 1192 CA ALA A 76 11.234 2.082 -0.425 1.00 0.00 C ATOM 1193 C ALA A 76 9.975 2.727 0.145 1.00 0.00 C ATOM 1194 O ALA A 76 9.639 3.861 -0.193 1.00 0.00 O ATOM 1195 CB ALA A 76 10.915 1.357 -1.724 1.00 0.00 C ATOM 0 H ALA A 76 11.530 0.193 0.436 1.00 0.00 H new ATOM 0 HA ALA A 76 11.954 2.874 -0.630 1.00 0.00 H new ATOM 0 HB1 ALA A 76 10.467 2.056 -2.430 1.00 0.00 H new ATOM 0 HB2 ALA A 76 11.833 0.951 -2.149 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.216 0.544 -1.525 1.00 0.00 H new ATOM 1201 N LEU A 77 9.283 1.997 1.013 1.00 0.00 N ATOM 1202 CA LEU A 77 8.060 2.498 1.629 1.00 0.00 C ATOM 1203 C LEU A 77 8.380 3.429 2.794 1.00 0.00 C ATOM 1204 O LEU A 77 7.633 4.366 3.077 1.00 0.00 O ATOM 1205 CB LEU A 77 7.193 1.334 2.116 1.00 0.00 C ATOM 1206 CG LEU A 77 6.631 0.440 1.010 1.00 0.00 C ATOM 1207 CD1 LEU A 77 5.729 -0.634 1.600 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.872 1.271 -0.013 1.00 0.00 C ATOM 0 H LEU A 77 9.548 1.057 1.306 1.00 0.00 H new ATOM 0 HA LEU A 77 7.509 3.062 0.876 1.00 0.00 H new ATOM 0 HB2 LEU A 77 7.785 0.719 2.794 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.362 1.737 2.694 1.00 0.00 H new ATOM 0 HG LEU A 77 7.464 -0.049 0.506 1.00 0.00 H new ATOM 0 HD11 LEU A 77 5.338 -1.261 0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.301 -1.248 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 77 4.901 -0.163 2.129 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.479 0.618 -0.793 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.047 1.787 0.478 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.545 2.004 -0.458 1.00 0.00 H new ATOM 1220 N LYS A 78 9.496 3.166 3.466 1.00 0.00 N ATOM 1221 CA LYS A 78 9.915 3.980 4.601 1.00 0.00 C ATOM 1222 C LYS A 78 10.170 5.422 4.172 1.00 0.00 C ATOM 1223 O LYS A 78 9.692 6.363 4.805 1.00 0.00 O ATOM 1224 CB LYS A 78 11.176 3.394 5.239 1.00 0.00 C ATOM 1225 CG LYS A 78 10.907 2.622 6.522 1.00 0.00 C ATOM 1226 CD LYS A 78 11.980 2.884 7.566 1.00 0.00 C ATOM 1227 CE LYS A 78 12.122 1.713 8.525 1.00 0.00 C ATOM 1228 NZ LYS A 78 13.428 1.735 9.240 1.00 0.00 N ATOM 0 H LYS A 78 10.126 2.395 3.244 1.00 0.00 H new ATOM 0 HA LYS A 78 9.110 3.976 5.336 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.662 2.732 4.522 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.875 4.203 5.451 1.00 0.00 H new ATOM 0 HG2 LYS A 78 9.933 2.906 6.921 1.00 0.00 H new ATOM 0 HG3 LYS A 78 10.864 1.555 6.303 1.00 0.00 H new ATOM 0 HD2 LYS A 78 12.934 3.068 7.071 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.732 3.786 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 78 11.310 1.739 9.252 1.00 0.00 H new ATOM 0 HE3 LYS A 78 12.026 0.778 7.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 13.485 0.920 9.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 14.203 1.685 8.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.509 2.615 9.788 1.00 0.00 H new