USER MOD reduce.3.24.130724 H: found=0, std=0, add=469, rem=0, adj=10 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+ -103:sc= -0.0117 (180deg=-0.733) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 180:sc= -0.899 USER MOD Single : A 38 GLN : amide:sc= -0.0336 X(o=-0.034,f=0) USER MOD Single : A 40 GLN :FLIP amide:sc= -1.25 F(o=-2.9,f=-1.2) 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 180:sc= 0.00812 USER MOD Single : A 58 MET CE :methyl -159:sc= -3.36! (180deg=-4.11!) USER MOD Single : A 60 ASN : amide:sc= 0 K(o=0,f=-0.85) 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+ 180:sc= 0 (180deg=0) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 319 N VAL A 25 5.297 1.959 6.029 1.00 0.00 N ATOM 320 CA VAL A 25 4.862 0.666 5.513 1.00 0.00 C ATOM 321 C VAL A 25 5.958 -0.383 5.676 1.00 0.00 C ATOM 322 O VAL A 25 6.573 -0.814 4.700 1.00 0.00 O ATOM 323 CB VAL A 25 4.467 0.757 4.027 1.00 0.00 C ATOM 324 CG1 VAL A 25 3.843 -0.548 3.558 1.00 0.00 C ATOM 325 CG2 VAL A 25 3.516 1.923 3.798 1.00 0.00 C ATOM 0 HA VAL A 25 3.988 0.369 6.093 1.00 0.00 H new ATOM 0 HB VAL A 25 5.369 0.932 3.441 1.00 0.00 H new ATOM 0 HG11 VAL A 25 3.571 -0.464 2.506 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.560 -1.360 3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 25 2.951 -0.757 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 25 3.248 1.972 2.743 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.615 1.781 4.395 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.003 2.853 4.092 1.00 0.00 H new ATOM 335 N SER A 26 6.199 -0.788 6.919 1.00 0.00 N ATOM 336 CA SER A 26 7.222 -1.785 7.213 1.00 0.00 C ATOM 337 C SER A 26 6.933 -3.095 6.488 1.00 0.00 C ATOM 338 O SER A 26 5.921 -3.225 5.799 1.00 0.00 O ATOM 339 CB SER A 26 7.304 -2.031 8.721 1.00 0.00 C ATOM 340 OG SER A 26 7.849 -0.908 9.393 1.00 0.00 O ATOM 0 H SER A 26 5.700 -0.441 7.738 1.00 0.00 H new ATOM 0 HA SER A 26 8.179 -1.401 6.860 1.00 0.00 H new ATOM 0 HB2 SER A 26 6.309 -2.245 9.112 1.00 0.00 H new ATOM 0 HB3 SER A 26 7.919 -2.909 8.916 1.00 0.00 H new ATOM 0 HG SER A 26 7.889 -1.090 10.355 1.00 0.00 H new ATOM 346 N ALA A 27 7.830 -4.063 6.648 1.00 0.00 N ATOM 347 CA ALA A 27 7.673 -5.364 6.009 1.00 0.00 C ATOM 348 C ALA A 27 6.408 -6.065 6.493 1.00 0.00 C ATOM 349 O ALA A 27 5.655 -6.627 5.698 1.00 0.00 O ATOM 350 CB ALA A 27 8.895 -6.231 6.273 1.00 0.00 C ATOM 0 H ALA A 27 8.673 -3.971 7.215 1.00 0.00 H new ATOM 0 HA ALA A 27 7.579 -5.205 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.765 -7.200 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 27 9.782 -5.742 5.871 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.015 -6.374 7.347 1.00 0.00 H new ATOM 356 N MET A 28 6.182 -6.029 7.802 1.00 0.00 N ATOM 357 CA MET A 28 5.009 -6.661 8.393 1.00 0.00 C ATOM 358 C MET A 28 3.726 -6.021 7.872 1.00 0.00 C ATOM 359 O MET A 28 2.700 -6.687 7.734 1.00 0.00 O ATOM 360 CB MET A 28 5.061 -6.558 9.918 1.00 0.00 C ATOM 361 CG MET A 28 3.883 -7.220 10.614 1.00 0.00 C ATOM 362 SD MET A 28 4.360 -8.077 12.127 1.00 0.00 S ATOM 363 CE MET A 28 2.855 -8.973 12.499 1.00 0.00 C ATOM 0 H MET A 28 6.796 -5.569 8.474 1.00 0.00 H new ATOM 0 HA MET A 28 5.012 -7.713 8.107 1.00 0.00 H new ATOM 0 HB2 MET A 28 5.985 -7.014 10.273 1.00 0.00 H new ATOM 0 HB3 MET A 28 5.095 -5.506 10.202 1.00 0.00 H new ATOM 0 HG2 MET A 28 3.134 -6.464 10.850 1.00 0.00 H new ATOM 0 HG3 MET A 28 3.415 -7.930 9.932 1.00 0.00 H new ATOM 0 HE1 MET A 28 2.993 -9.553 13.411 1.00 0.00 H new ATOM 0 HE2 MET A 28 2.036 -8.267 12.638 1.00 0.00 H new ATOM 0 HE3 MET A 28 2.618 -9.645 11.674 1.00 0.00 H new ATOM 373 N PHE A 29 3.793 -4.726 7.583 1.00 0.00 N ATOM 374 CA PHE A 29 2.636 -3.996 7.076 1.00 0.00 C ATOM 375 C PHE A 29 2.305 -4.424 5.650 1.00 0.00 C ATOM 376 O PHE A 29 1.136 -4.555 5.287 1.00 0.00 O ATOM 377 CB PHE A 29 2.899 -2.489 7.123 1.00 0.00 C ATOM 378 CG PHE A 29 1.656 -1.657 6.973 1.00 0.00 C ATOM 379 CD1 PHE A 29 1.104 -1.434 5.721 1.00 0.00 C ATOM 380 CD2 PHE A 29 1.042 -1.100 8.082 1.00 0.00 C ATOM 381 CE1 PHE A 29 -0.038 -0.670 5.580 1.00 0.00 C ATOM 382 CE2 PHE A 29 -0.100 -0.334 7.947 1.00 0.00 C ATOM 383 CZ PHE A 29 -0.642 -0.119 6.694 1.00 0.00 C ATOM 0 H PHE A 29 4.635 -4.160 7.691 1.00 0.00 H new ATOM 0 HA PHE A 29 1.782 -4.229 7.712 1.00 0.00 H new ATOM 0 HB2 PHE A 29 3.380 -2.242 8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 29 3.600 -2.226 6.331 1.00 0.00 H new ATOM 0 HD1 PHE A 29 1.572 -1.862 4.847 1.00 0.00 H new ATOM 0 HD2 PHE A 29 1.460 -1.266 9.064 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.459 -0.503 4.599 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.569 0.096 8.820 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.535 0.478 6.586 1.00 0.00 H new ATOM 393 N ILE A 30 3.341 -4.639 4.847 1.00 0.00 N ATOM 394 CA ILE A 30 3.159 -5.053 3.460 1.00 0.00 C ATOM 395 C ILE A 30 2.523 -6.437 3.382 1.00 0.00 C ATOM 396 O ILE A 30 1.596 -6.661 2.603 1.00 0.00 O ATOM 397 CB ILE A 30 4.499 -5.071 2.697 1.00 0.00 C ATOM 398 CG1 ILE A 30 5.232 -3.739 2.872 1.00 0.00 C ATOM 399 CG2 ILE A 30 4.266 -5.362 1.221 1.00 0.00 C ATOM 400 CD1 ILE A 30 6.735 -3.882 2.956 1.00 0.00 C ATOM 0 H ILE A 30 4.315 -4.534 5.132 1.00 0.00 H new ATOM 0 HA ILE A 30 2.496 -4.323 2.995 1.00 0.00 H new ATOM 0 HB ILE A 30 5.122 -5.864 3.111 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.984 -3.085 2.036 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.871 -3.251 3.777 1.00 0.00 H new ATOM 0 HG21 ILE A 30 5.222 -5.371 0.697 1.00 0.00 H new ATOM 0 HG22 ILE A 30 3.784 -6.334 1.113 1.00 0.00 H new ATOM 0 HG23 ILE A 30 3.626 -4.590 0.795 1.00 0.00 H new ATOM 0 HD11 ILE A 30 7.188 -2.898 3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.994 -4.510 3.808 1.00 0.00 H new ATOM 0 HD13 ILE A 30 7.109 -4.341 2.041 1.00 0.00 H new ATOM 412 N PHE A 31 3.026 -7.361 4.193 1.00 0.00 N ATOM 413 CA PHE A 31 2.507 -8.723 4.216 1.00 0.00 C ATOM 414 C PHE A 31 1.094 -8.756 4.789 1.00 0.00 C ATOM 415 O PHE A 31 0.249 -9.531 4.342 1.00 0.00 O ATOM 416 CB PHE A 31 3.426 -9.627 5.042 1.00 0.00 C ATOM 417 CG PHE A 31 2.978 -11.060 5.087 1.00 0.00 C ATOM 418 CD1 PHE A 31 3.388 -11.958 4.114 1.00 0.00 C ATOM 419 CD2 PHE A 31 2.150 -11.510 6.102 1.00 0.00 C ATOM 420 CE1 PHE A 31 2.979 -13.277 4.152 1.00 0.00 C ATOM 421 CE2 PHE A 31 1.737 -12.828 6.146 1.00 0.00 C ATOM 422 CZ PHE A 31 2.152 -13.713 5.170 1.00 0.00 C ATOM 0 H PHE A 31 3.793 -7.191 4.844 1.00 0.00 H new ATOM 0 HA PHE A 31 2.473 -9.090 3.190 1.00 0.00 H new ATOM 0 HB2 PHE A 31 4.433 -9.583 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 31 3.483 -9.241 6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 31 4.035 -11.623 3.317 1.00 0.00 H new ATOM 0 HD2 PHE A 31 1.823 -10.823 6.868 1.00 0.00 H new ATOM 0 HE1 PHE A 31 3.305 -13.966 3.387 1.00 0.00 H new ATOM 0 HE2 PHE A 31 1.091 -13.166 6.943 1.00 0.00 H new ATOM 0 HZ PHE A 31 1.831 -14.744 5.202 1.00 0.00 H new ATOM 432 N SER A 32 0.845 -7.908 5.782 1.00 0.00 N ATOM 433 CA SER A 32 -0.466 -7.837 6.418 1.00 0.00 C ATOM 434 C SER A 32 -1.476 -7.118 5.526 1.00 0.00 C ATOM 435 O SER A 32 -2.685 -7.258 5.707 1.00 0.00 O ATOM 436 CB SER A 32 -0.361 -7.123 7.766 1.00 0.00 C ATOM 437 OG SER A 32 -1.577 -7.218 8.490 1.00 0.00 O ATOM 0 H SER A 32 1.534 -7.260 6.164 1.00 0.00 H new ATOM 0 HA SER A 32 -0.817 -8.857 6.577 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.449 -7.560 8.350 1.00 0.00 H new ATOM 0 HB3 SER A 32 -0.110 -6.074 7.607 1.00 0.00 H new ATOM 0 HG SER A 32 -1.484 -6.755 9.349 1.00 0.00 H new ATOM 443 N GLU A 33 -0.976 -6.344 4.566 1.00 0.00 N ATOM 444 CA GLU A 33 -1.842 -5.605 3.654 1.00 0.00 C ATOM 445 C GLU A 33 -2.001 -6.341 2.327 1.00 0.00 C ATOM 446 O GLU A 33 -3.028 -6.221 1.659 1.00 0.00 O ATOM 447 CB GLU A 33 -1.281 -4.204 3.407 1.00 0.00 C ATOM 448 CG GLU A 33 -2.343 -3.178 3.047 1.00 0.00 C ATOM 449 CD GLU A 33 -1.836 -2.129 2.074 1.00 0.00 C ATOM 450 OE1 GLU A 33 -0.616 -1.860 2.075 1.00 0.00 O ATOM 451 OE2 GLU A 33 -2.659 -1.579 1.314 1.00 0.00 O ATOM 0 H GLU A 33 0.022 -6.213 4.400 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.824 -5.521 4.120 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.753 -3.870 4.301 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -0.547 -4.252 2.603 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.202 -3.688 2.611 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.691 -2.687 3.956 1.00 0.00 H new ATOM 458 N GLU A 34 -0.979 -7.103 1.948 1.00 0.00 N ATOM 459 CA GLU A 34 -1.009 -7.854 0.699 1.00 0.00 C ATOM 460 C GLU A 34 -1.666 -9.218 0.892 1.00 0.00 C ATOM 461 O GLU A 34 -2.264 -9.766 -0.034 1.00 0.00 O ATOM 462 CB GLU A 34 0.408 -8.031 0.150 1.00 0.00 C ATOM 463 CG GLU A 34 0.473 -8.063 -1.368 1.00 0.00 C ATOM 464 CD GLU A 34 1.819 -7.616 -1.904 1.00 0.00 C ATOM 465 OE1 GLU A 34 2.212 -6.462 -1.633 1.00 0.00 O ATOM 466 OE2 GLU A 34 2.480 -8.419 -2.595 1.00 0.00 O ATOM 0 H GLU A 34 -0.121 -7.216 2.488 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.602 -7.286 -0.018 1.00 0.00 H new ATOM 0 HB2 GLU A 34 1.034 -7.217 0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.828 -8.957 0.543 1.00 0.00 H new ATOM 0 HG2 GLU A 34 0.266 -9.075 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -0.308 -7.420 -1.775 1.00 0.00 H new ATOM 473 N LYS A 35 -1.549 -9.763 2.099 1.00 0.00 N ATOM 474 CA LYS A 35 -2.130 -11.065 2.409 1.00 0.00 C ATOM 475 C LYS A 35 -3.588 -10.924 2.836 1.00 0.00 C ATOM 476 O LYS A 35 -4.411 -11.798 2.565 1.00 0.00 O ATOM 477 CB LYS A 35 -1.327 -11.755 3.512 1.00 0.00 C ATOM 478 CG LYS A 35 0.114 -12.043 3.124 1.00 0.00 C ATOM 479 CD LYS A 35 0.254 -13.407 2.467 1.00 0.00 C ATOM 480 CE LYS A 35 1.128 -13.342 1.223 1.00 0.00 C ATOM 481 NZ LYS A 35 2.076 -14.488 1.149 1.00 0.00 N ATOM 0 H LYS A 35 -1.058 -9.324 2.878 1.00 0.00 H new ATOM 0 HA LYS A 35 -2.093 -11.675 1.507 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.336 -11.128 4.404 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.818 -12.692 3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 35 0.469 -11.271 2.441 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.746 -11.999 4.011 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.684 -14.112 3.178 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -0.733 -13.786 2.200 1.00 0.00 H new ATOM 0 HE2 LYS A 35 0.496 -13.336 0.335 1.00 0.00 H new ATOM 0 HE3 LYS A 35 1.688 -12.407 1.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.027 -14.170 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 1.762 -15.241 1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 2.102 -14.855 0.176 1.00 0.00 H new ATOM 495 N ARG A 36 -3.901 -9.819 3.505 1.00 0.00 N ATOM 496 CA ARG A 36 -5.260 -9.567 3.969 1.00 0.00 C ATOM 497 C ARG A 36 -6.238 -9.535 2.798 1.00 0.00 C ATOM 498 O ARG A 36 -7.381 -9.976 2.919 1.00 0.00 O ATOM 499 CB ARG A 36 -5.322 -8.246 4.738 1.00 0.00 C ATOM 500 CG ARG A 36 -6.709 -7.907 5.261 1.00 0.00 C ATOM 501 CD ARG A 36 -6.857 -6.416 5.520 1.00 0.00 C ATOM 502 NE ARG A 36 -5.953 -5.950 6.570 1.00 0.00 N ATOM 503 CZ ARG A 36 -6.181 -6.112 7.871 1.00 0.00 C ATOM 504 NH1 ARG A 36 -7.282 -6.726 8.288 1.00 0.00 N ATOM 505 NH2 ARG A 36 -5.306 -5.658 8.758 1.00 0.00 N ATOM 0 H ARG A 36 -3.232 -9.085 3.738 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.547 -10.381 4.635 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -4.628 -8.292 5.577 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -4.982 -7.441 4.087 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.460 -8.228 4.539 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.896 -8.458 6.183 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.658 -5.867 4.600 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.886 -6.198 5.805 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.097 -5.472 6.289 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -7.958 -7.076 7.610 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.451 -6.847 9.287 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.459 -5.185 8.443 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.480 -5.782 9.755 1.00 0.00 H new ATOM 519 N ARG A 37 -5.782 -9.010 1.666 1.00 0.00 N ATOM 520 CA ARG A 37 -6.618 -8.922 0.474 1.00 0.00 C ATOM 521 C ARG A 37 -6.735 -10.280 -0.210 1.00 0.00 C ATOM 522 O ARG A 37 -7.762 -10.598 -0.808 1.00 0.00 O ATOM 523 CB ARG A 37 -6.043 -7.894 -0.502 1.00 0.00 C ATOM 524 CG ARG A 37 -7.068 -7.343 -1.479 1.00 0.00 C ATOM 525 CD ARG A 37 -6.501 -6.189 -2.291 1.00 0.00 C ATOM 526 NE ARG A 37 -5.331 -6.590 -3.067 1.00 0.00 N ATOM 527 CZ ARG A 37 -4.466 -5.731 -3.604 1.00 0.00 C ATOM 528 NH1 ARG A 37 -4.637 -4.424 -3.449 1.00 0.00 N ATOM 529 NH2 ARG A 37 -3.429 -6.181 -4.296 1.00 0.00 N ATOM 0 H ARG A 37 -4.839 -8.639 1.549 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.614 -8.604 0.782 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.613 -7.068 0.065 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.229 -8.353 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.394 -8.136 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -7.949 -7.006 -0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.269 -5.807 -2.964 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -6.230 -5.373 -1.621 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.166 -7.587 -3.206 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.433 -4.073 -2.917 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.972 -3.770 -3.862 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.294 -7.185 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.766 -5.524 -4.707 1.00 0.00 H new ATOM 543 N GLN A 38 -5.676 -11.077 -0.115 1.00 0.00 N ATOM 544 CA GLN A 38 -5.659 -12.403 -0.724 1.00 0.00 C ATOM 545 C GLN A 38 -6.517 -13.377 0.076 1.00 0.00 C ATOM 546 O GLN A 38 -7.111 -14.299 -0.483 1.00 0.00 O ATOM 547 CB GLN A 38 -4.225 -12.926 -0.817 1.00 0.00 C ATOM 548 CG GLN A 38 -3.395 -12.236 -1.887 1.00 0.00 C ATOM 549 CD GLN A 38 -3.181 -13.107 -3.110 1.00 0.00 C ATOM 550 OE1 GLN A 38 -2.046 -13.425 -3.469 1.00 0.00 O ATOM 551 NE2 GLN A 38 -4.272 -13.498 -3.757 1.00 0.00 N ATOM 0 H GLN A 38 -4.818 -10.828 0.378 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.073 -12.321 -1.729 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -3.737 -12.798 0.149 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -4.250 -13.996 -1.022 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.890 -11.312 -2.186 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -2.427 -11.959 -1.469 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -5.193 -13.211 -3.424 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -4.190 -14.085 -4.587 1.00 0.00 H new ATOM 560 N LEU A 39 -6.577 -13.166 1.386 1.00 0.00 N ATOM 561 CA LEU A 39 -7.363 -14.025 2.264 1.00 0.00 C ATOM 562 C LEU A 39 -8.824 -13.588 2.294 1.00 0.00 C ATOM 563 O LEU A 39 -9.720 -14.400 2.520 1.00 0.00 O ATOM 564 CB LEU A 39 -6.785 -14.007 3.680 1.00 0.00 C ATOM 565 CG LEU A 39 -5.542 -14.874 3.885 1.00 0.00 C ATOM 566 CD1 LEU A 39 -4.643 -14.276 4.955 1.00 0.00 C ATOM 567 CD2 LEU A 39 -5.939 -16.295 4.253 1.00 0.00 C ATOM 0 H LEU A 39 -6.091 -12.407 1.864 1.00 0.00 H new ATOM 0 HA LEU A 39 -7.316 -15.041 1.871 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.538 -12.978 3.942 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.557 -14.336 4.375 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.985 -14.904 2.948 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.764 -14.907 5.086 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.330 -13.277 4.651 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.189 -14.214 5.896 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.042 -16.898 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.519 -16.283 5.176 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.541 -16.724 3.452 1.00 0.00 H new ATOM 579 N GLN A 40 -9.057 -12.300 2.063 1.00 0.00 N ATOM 580 CA GLN A 40 -10.412 -11.757 2.064 1.00 0.00 C ATOM 581 C GLN A 40 -11.241 -12.363 0.935 1.00 0.00 C ATOM 582 O GLN A 40 -12.353 -12.843 1.157 1.00 0.00 O ATOM 583 CB GLN A 40 -10.372 -10.233 1.926 1.00 0.00 C ATOM 584 CG GLN A 40 -10.997 -9.501 3.103 1.00 0.00 C ATOM 585 CD GLN A 40 -10.236 -8.245 3.478 1.00 0.00 C ATOM 586 OE1 GLN A 40 -10.351 -7.837 4.736 1.00 0.00 O flip ATOM 587 NE2 GLN A 40 -9.552 -7.647 2.647 1.00 0.00 N flip ATOM 0 H GLN A 40 -8.327 -11.613 1.873 1.00 0.00 H new ATOM 0 HA GLN A 40 -10.882 -12.016 3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.336 -9.913 1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -10.891 -9.945 1.012 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -12.026 -9.238 2.858 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.035 -10.169 3.963 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -9.491 -7.996 1.690 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -9.046 -6.803 2.915 1.00 0.00 H new ATOM 596 N GLU A 41 -10.695 -12.334 -0.276 1.00 0.00 N ATOM 597 CA GLU A 41 -11.385 -12.878 -1.440 1.00 0.00 C ATOM 598 C GLU A 41 -11.522 -14.394 -1.333 1.00 0.00 C ATOM 599 O GLU A 41 -12.595 -14.948 -1.573 1.00 0.00 O ATOM 600 CB GLU A 41 -10.633 -12.513 -2.721 1.00 0.00 C ATOM 601 CG GLU A 41 -11.044 -11.171 -3.305 1.00 0.00 C ATOM 602 CD GLU A 41 -10.627 -11.014 -4.754 1.00 0.00 C ATOM 603 OE1 GLU A 41 -9.419 -11.143 -5.042 1.00 0.00 O ATOM 604 OE2 GLU A 41 -11.509 -10.762 -5.602 1.00 0.00 O ATOM 0 H GLU A 41 -9.776 -11.939 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.383 -12.442 -1.475 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -9.563 -12.497 -2.513 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.801 -13.291 -3.466 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.126 -11.061 -3.228 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.600 -10.370 -2.714 1.00 0.00 H new ATOM 611 N GLU A 42 -10.430 -15.059 -0.972 1.00 0.00 N ATOM 612 CA GLU A 42 -10.429 -16.510 -0.833 1.00 0.00 C ATOM 613 C GLU A 42 -11.270 -16.944 0.363 1.00 0.00 C ATOM 614 O GLU A 42 -11.876 -18.015 0.353 1.00 0.00 O ATOM 615 CB GLU A 42 -8.998 -17.028 -0.680 1.00 0.00 C ATOM 616 CG GLU A 42 -8.141 -16.824 -1.919 1.00 0.00 C ATOM 617 CD GLU A 42 -7.911 -18.111 -2.687 1.00 0.00 C ATOM 618 OE1 GLU A 42 -8.783 -18.481 -3.501 1.00 0.00 O ATOM 619 OE2 GLU A 42 -6.859 -18.750 -2.473 1.00 0.00 O ATOM 0 H GLU A 42 -9.534 -14.616 -0.770 1.00 0.00 H new ATOM 0 HA GLU A 42 -10.868 -16.936 -1.735 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.527 -16.525 0.164 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.029 -18.091 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.621 -16.096 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.179 -16.403 -1.626 1.00 0.00 H new ATOM 626 N ARG A 43 -11.302 -16.104 1.392 1.00 0.00 N ATOM 627 CA ARG A 43 -12.068 -16.400 2.597 1.00 0.00 C ATOM 628 C ARG A 43 -12.966 -15.224 2.973 1.00 0.00 C ATOM 629 O ARG A 43 -12.625 -14.424 3.844 1.00 0.00 O ATOM 630 CB ARG A 43 -11.127 -16.729 3.757 1.00 0.00 C ATOM 631 CG ARG A 43 -10.135 -17.837 3.441 1.00 0.00 C ATOM 632 CD ARG A 43 -10.525 -19.144 4.113 1.00 0.00 C ATOM 633 NE ARG A 43 -9.589 -20.221 3.801 1.00 0.00 N ATOM 634 CZ ARG A 43 -9.601 -20.907 2.661 1.00 0.00 C ATOM 635 NH1 ARG A 43 -10.499 -20.632 1.722 1.00 0.00 N ATOM 636 NH2 ARG A 43 -8.713 -21.870 2.458 1.00 0.00 N ATOM 0 H ARG A 43 -10.806 -15.213 1.416 1.00 0.00 H new ATOM 0 HA ARG A 43 -12.699 -17.266 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -10.578 -15.829 4.035 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -11.720 -17.020 4.624 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -10.083 -17.983 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -9.139 -17.540 3.771 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -10.564 -18.999 5.193 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -11.527 -19.431 3.794 1.00 0.00 H new ATOM 0 HE ARG A 43 -8.884 -20.461 4.498 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -11.184 -19.892 1.873 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.503 -21.161 0.850 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -8.021 -22.085 3.176 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -8.722 -22.396 1.584 1.00 0.00 H new ATOM 650 N PRO A 44 -14.134 -15.105 2.318 1.00 0.00 N ATOM 651 CA PRO A 44 -15.085 -14.020 2.589 1.00 0.00 C ATOM 652 C PRO A 44 -15.712 -14.125 3.975 1.00 0.00 C ATOM 653 O PRO A 44 -16.247 -13.148 4.499 1.00 0.00 O ATOM 654 CB PRO A 44 -16.152 -14.200 1.505 1.00 0.00 C ATOM 655 CG PRO A 44 -16.067 -15.637 1.122 1.00 0.00 C ATOM 656 CD PRO A 44 -14.620 -16.016 1.266 1.00 0.00 C ATOM 0 HA PRO A 44 -14.600 -13.044 2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -17.144 -13.949 1.881 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -15.961 -13.551 0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -16.698 -16.251 1.765 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -16.411 -15.790 0.099 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -14.505 -17.061 1.554 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -14.074 -15.880 0.333 1.00 0.00 H new ATOM 664 N GLU A 45 -15.643 -15.314 4.567 1.00 0.00 N ATOM 665 CA GLU A 45 -16.206 -15.541 5.893 1.00 0.00 C ATOM 666 C GLU A 45 -15.372 -14.844 6.962 1.00 0.00 C ATOM 667 O GLU A 45 -15.896 -14.412 7.989 1.00 0.00 O ATOM 668 CB GLU A 45 -16.282 -17.040 6.186 1.00 0.00 C ATOM 669 CG GLU A 45 -17.043 -17.372 7.459 1.00 0.00 C ATOM 670 CD GLU A 45 -18.538 -17.157 7.318 1.00 0.00 C ATOM 671 OE1 GLU A 45 -19.222 -18.064 6.802 1.00 0.00 O ATOM 672 OE2 GLU A 45 -19.022 -16.079 7.725 1.00 0.00 O ATOM 0 H GLU A 45 -15.203 -16.134 4.149 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.212 -15.123 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.760 -17.543 5.345 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -15.270 -17.439 6.263 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.853 -18.410 7.731 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.666 -16.755 8.275 1.00 0.00 H new ATOM 679 N LEU A 46 -14.071 -14.740 6.714 1.00 0.00 N ATOM 680 CA LEU A 46 -13.162 -14.096 7.654 1.00 0.00 C ATOM 681 C LEU A 46 -13.120 -12.589 7.427 1.00 0.00 C ATOM 682 O LEU A 46 -12.793 -12.124 6.336 1.00 0.00 O ATOM 683 CB LEU A 46 -11.756 -14.683 7.517 1.00 0.00 C ATOM 684 CG LEU A 46 -11.535 -16.011 8.243 1.00 0.00 C ATOM 685 CD1 LEU A 46 -10.198 -16.619 7.847 1.00 0.00 C ATOM 686 CD2 LEU A 46 -11.606 -15.811 9.750 1.00 0.00 C ATOM 0 H LEU A 46 -13.622 -15.094 5.869 1.00 0.00 H new ATOM 0 HA LEU A 46 -13.531 -14.282 8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -11.540 -14.825 6.458 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -11.037 -13.956 7.895 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.326 -16.701 7.949 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.058 -17.563 8.373 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.183 -16.797 6.772 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -9.394 -15.933 8.112 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -11.447 -16.766 10.252 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -10.836 -15.105 10.060 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -12.587 -15.419 10.019 1.00 0.00 H new ATOM 698 N SER A 47 -13.452 -11.829 8.466 1.00 0.00 N ATOM 699 CA SER A 47 -13.452 -10.374 8.379 1.00 0.00 C ATOM 700 C SER A 47 -12.049 -9.816 8.601 1.00 0.00 C ATOM 701 O SER A 47 -11.104 -10.567 8.844 1.00 0.00 O ATOM 702 CB SER A 47 -14.417 -9.780 9.408 1.00 0.00 C ATOM 703 OG SER A 47 -14.894 -8.513 8.988 1.00 0.00 O ATOM 0 H SER A 47 -13.724 -12.197 9.377 1.00 0.00 H new ATOM 0 HA SER A 47 -13.782 -10.095 7.378 1.00 0.00 H new ATOM 0 HB2 SER A 47 -15.258 -10.458 9.556 1.00 0.00 H new ATOM 0 HB3 SER A 47 -13.913 -9.682 10.370 1.00 0.00 H new ATOM 0 HG SER A 47 -15.510 -8.156 9.661 1.00 0.00 H new ATOM 709 N GLU A 48 -11.921 -8.496 8.516 1.00 0.00 N ATOM 710 CA GLU A 48 -10.632 -7.840 8.708 1.00 0.00 C ATOM 711 C GLU A 48 -10.110 -8.071 10.121 1.00 0.00 C ATOM 712 O GLU A 48 -8.932 -8.372 10.316 1.00 0.00 O ATOM 713 CB GLU A 48 -10.756 -6.340 8.436 1.00 0.00 C ATOM 714 CG GLU A 48 -11.143 -6.009 7.004 1.00 0.00 C ATOM 715 CD GLU A 48 -12.154 -4.883 6.918 1.00 0.00 C ATOM 716 OE1 GLU A 48 -11.784 -3.728 7.219 1.00 0.00 O ATOM 717 OE2 GLU A 48 -13.317 -5.156 6.552 1.00 0.00 O ATOM 0 H GLU A 48 -12.693 -7.860 8.316 1.00 0.00 H new ATOM 0 HA GLU A 48 -9.922 -8.273 8.003 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -11.500 -5.918 9.111 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -9.806 -5.858 8.667 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.249 -5.733 6.445 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.555 -6.899 6.528 1.00 0.00 H new ATOM 724 N SER A 49 -10.992 -7.928 11.104 1.00 0.00 N ATOM 725 CA SER A 49 -10.620 -8.121 12.501 1.00 0.00 C ATOM 726 C SER A 49 -10.091 -9.533 12.734 1.00 0.00 C ATOM 727 O SER A 49 -9.215 -9.749 13.571 1.00 0.00 O ATOM 728 CB SER A 49 -11.820 -7.857 13.412 1.00 0.00 C ATOM 729 OG SER A 49 -12.736 -8.937 13.374 1.00 0.00 O ATOM 0 H SER A 49 -11.970 -7.679 10.959 1.00 0.00 H new ATOM 0 HA SER A 49 -9.828 -7.412 12.741 1.00 0.00 H new ATOM 0 HB2 SER A 49 -11.477 -7.703 14.435 1.00 0.00 H new ATOM 0 HB3 SER A 49 -12.321 -6.940 13.102 1.00 0.00 H new ATOM 0 HG SER A 49 -13.493 -8.745 13.966 1.00 0.00 H new ATOM 735 N GLU A 50 -10.631 -10.491 11.987 1.00 0.00 N ATOM 736 CA GLU A 50 -10.214 -11.883 12.112 1.00 0.00 C ATOM 737 C GLU A 50 -8.943 -12.144 11.312 1.00 0.00 C ATOM 738 O GLU A 50 -8.124 -12.984 11.685 1.00 0.00 O ATOM 739 CB GLU A 50 -11.330 -12.816 11.637 1.00 0.00 C ATOM 740 CG GLU A 50 -12.688 -12.497 12.239 1.00 0.00 C ATOM 741 CD GLU A 50 -13.045 -13.414 13.392 1.00 0.00 C ATOM 742 OE1 GLU A 50 -13.213 -14.629 13.153 1.00 0.00 O ATOM 743 OE2 GLU A 50 -13.157 -12.920 14.533 1.00 0.00 O ATOM 0 H GLU A 50 -11.357 -10.329 11.290 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.007 -12.081 13.164 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.401 -12.760 10.551 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.064 -13.843 11.886 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -12.694 -11.464 12.586 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -13.452 -12.577 11.466 1.00 0.00 H new ATOM 750 N LEU A 51 -8.784 -11.419 10.209 1.00 0.00 N ATOM 751 CA LEU A 51 -7.613 -11.572 9.355 1.00 0.00 C ATOM 752 C LEU A 51 -6.345 -11.141 10.087 1.00 0.00 C ATOM 753 O LEU A 51 -5.283 -11.738 9.911 1.00 0.00 O ATOM 754 CB LEU A 51 -7.779 -10.754 8.073 1.00 0.00 C ATOM 755 CG LEU A 51 -8.698 -11.379 7.022 1.00 0.00 C ATOM 756 CD1 LEU A 51 -8.935 -10.408 5.876 1.00 0.00 C ATOM 757 CD2 LEU A 51 -8.105 -12.682 6.505 1.00 0.00 C ATOM 0 H LEU A 51 -9.452 -10.719 9.886 1.00 0.00 H new ATOM 0 HA LEU A 51 -7.520 -12.626 9.095 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.168 -9.770 8.335 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -6.796 -10.600 7.629 1.00 0.00 H new ATOM 0 HG LEU A 51 -9.658 -11.599 7.489 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.591 -10.870 5.138 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.401 -9.500 6.259 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -7.983 -10.157 5.409 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.771 -13.114 5.758 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.133 -12.485 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.986 -13.381 7.333 1.00 0.00 H new ATOM 769 N THR A 52 -6.464 -10.100 10.904 1.00 0.00 N ATOM 770 CA THR A 52 -5.327 -9.587 11.661 1.00 0.00 C ATOM 771 C THR A 52 -4.732 -10.672 12.554 1.00 0.00 C ATOM 772 O THR A 52 -3.532 -10.673 12.829 1.00 0.00 O ATOM 773 CB THR A 52 -5.753 -8.390 12.512 1.00 0.00 C ATOM 774 OG1 THR A 52 -6.601 -7.528 11.774 1.00 0.00 O ATOM 775 CG2 THR A 52 -4.586 -7.567 13.012 1.00 0.00 C ATOM 0 H THR A 52 -7.336 -9.595 11.059 1.00 0.00 H new ATOM 0 HA THR A 52 -4.565 -9.268 10.950 1.00 0.00 H new ATOM 0 HB THR A 52 -6.272 -8.815 13.371 1.00 0.00 H new ATOM 0 HG1 THR A 52 -6.865 -6.769 12.335 1.00 0.00 H new ATOM 0 HG21 THR A 52 -4.957 -6.734 13.609 1.00 0.00 H new ATOM 0 HG22 THR A 52 -3.937 -8.192 13.625 1.00 0.00 H new ATOM 0 HG23 THR A 52 -4.022 -7.182 12.163 1.00 0.00 H new ATOM 783 N ARG A 53 -5.577 -11.594 13.004 1.00 0.00 N ATOM 784 CA ARG A 53 -5.132 -12.683 13.865 1.00 0.00 C ATOM 785 C ARG A 53 -4.423 -13.763 13.055 1.00 0.00 C ATOM 786 O ARG A 53 -3.527 -14.441 13.557 1.00 0.00 O ATOM 787 CB ARG A 53 -6.323 -13.287 14.614 1.00 0.00 C ATOM 788 CG ARG A 53 -7.136 -12.265 15.390 1.00 0.00 C ATOM 789 CD ARG A 53 -6.282 -11.525 16.407 1.00 0.00 C ATOM 790 NE ARG A 53 -6.072 -10.128 16.034 1.00 0.00 N ATOM 791 CZ ARG A 53 -5.112 -9.361 16.544 1.00 0.00 C ATOM 792 NH1 ARG A 53 -4.271 -9.850 17.448 1.00 0.00 N ATOM 793 NH2 ARG A 53 -4.990 -8.101 16.148 1.00 0.00 N ATOM 0 H ARG A 53 -6.573 -11.608 12.787 1.00 0.00 H new ATOM 0 HA ARG A 53 -4.425 -12.276 14.588 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.974 -13.789 13.899 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -5.959 -14.049 15.304 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -7.579 -11.550 14.697 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -7.959 -12.766 15.901 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.762 -11.571 17.385 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -5.317 -12.024 16.502 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.698 -9.717 15.342 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -4.359 -10.819 17.755 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.537 -9.257 17.835 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -5.632 -7.720 15.453 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -4.254 -7.513 16.539 1.00 0.00 H new ATOM 807 N LEU A 54 -4.831 -13.919 11.801 1.00 0.00 N ATOM 808 CA LEU A 54 -4.234 -14.918 10.921 1.00 0.00 C ATOM 809 C LEU A 54 -2.973 -14.376 10.257 1.00 0.00 C ATOM 810 O LEU A 54 -2.022 -15.117 10.010 1.00 0.00 O ATOM 811 CB LEU A 54 -5.240 -15.355 9.854 1.00 0.00 C ATOM 812 CG LEU A 54 -4.829 -16.585 9.041 1.00 0.00 C ATOM 813 CD1 LEU A 54 -4.888 -17.836 9.903 1.00 0.00 C ATOM 814 CD2 LEU A 54 -5.719 -16.735 7.818 1.00 0.00 C ATOM 0 H LEU A 54 -5.573 -13.367 11.370 1.00 0.00 H new ATOM 0 HA LEU A 54 -3.960 -15.781 11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.194 -15.561 10.339 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.404 -14.523 9.169 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.802 -16.449 8.703 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.593 -18.701 9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.209 -17.727 10.749 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.905 -17.978 10.270 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -5.413 -17.614 7.251 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.756 -16.850 8.134 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.627 -15.849 7.190 1.00 0.00 H new ATOM 826 N LEU A 55 -2.974 -13.079 9.969 1.00 0.00 N ATOM 827 CA LEU A 55 -1.831 -12.436 9.332 1.00 0.00 C ATOM 828 C LEU A 55 -0.616 -12.449 10.253 1.00 0.00 C ATOM 829 O LEU A 55 0.482 -12.827 9.844 1.00 0.00 O ATOM 830 CB LEU A 55 -2.178 -10.996 8.947 1.00 0.00 C ATOM 831 CG LEU A 55 -3.240 -10.857 7.855 1.00 0.00 C ATOM 832 CD1 LEU A 55 -3.819 -9.452 7.850 1.00 0.00 C ATOM 833 CD2 LEU A 55 -2.650 -11.197 6.494 1.00 0.00 C ATOM 0 H LEU A 55 -3.754 -12.452 10.167 1.00 0.00 H new ATOM 0 HA LEU A 55 -1.587 -12.997 8.430 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.523 -10.471 9.838 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -1.269 -10.496 8.614 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.046 -11.559 8.066 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.573 -9.372 7.067 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.277 -9.244 8.817 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.023 -8.731 7.663 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -3.419 -11.093 5.728 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.826 -10.518 6.275 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -2.283 -12.223 6.503 1.00 0.00 H new ATOM 845 N ALA A 56 -0.820 -12.033 11.499 1.00 0.00 N ATOM 846 CA ALA A 56 0.260 -11.995 12.479 1.00 0.00 C ATOM 847 C ALA A 56 0.898 -13.370 12.651 1.00 0.00 C ATOM 848 O ALA A 56 2.087 -13.480 12.954 1.00 0.00 O ATOM 849 CB ALA A 56 -0.260 -11.484 13.814 1.00 0.00 C ATOM 0 H ALA A 56 -1.723 -11.718 11.854 1.00 0.00 H new ATOM 0 HA ALA A 56 1.026 -11.312 12.111 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.555 -11.460 14.537 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.662 -10.479 13.687 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.047 -12.146 14.176 1.00 0.00 H new ATOM 855 N ARG A 57 0.103 -14.416 12.455 1.00 0.00 N ATOM 856 CA ARG A 57 0.592 -15.784 12.589 1.00 0.00 C ATOM 857 C ARG A 57 1.282 -16.243 11.308 1.00 0.00 C ATOM 858 O ARG A 57 2.216 -17.043 11.347 1.00 0.00 O ATOM 859 CB ARG A 57 -0.561 -16.730 12.928 1.00 0.00 C ATOM 860 CG ARG A 57 -0.115 -18.011 13.614 1.00 0.00 C ATOM 861 CD ARG A 57 -1.245 -18.635 14.418 1.00 0.00 C ATOM 862 NE ARG A 57 -1.042 -20.066 14.629 1.00 0.00 N ATOM 863 CZ ARG A 57 -1.791 -20.809 15.440 1.00 0.00 C ATOM 864 NH1 ARG A 57 -2.792 -20.261 16.118 1.00 0.00 N ATOM 865 NH2 ARG A 57 -1.540 -22.104 15.574 1.00 0.00 N ATOM 0 H ARG A 57 -0.883 -14.343 12.203 1.00 0.00 H new ATOM 0 HA ARG A 57 1.320 -15.805 13.400 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.269 -16.210 13.573 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -1.093 -16.985 12.011 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.237 -18.722 12.866 1.00 0.00 H new ATOM 0 HG3 ARG A 57 0.727 -17.798 14.273 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -1.323 -18.134 15.383 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -2.190 -18.476 13.899 1.00 0.00 H new ATOM 0 HE ARG A 57 -0.282 -20.523 14.125 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -2.990 -19.265 16.019 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -3.363 -20.835 16.738 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -0.773 -22.531 15.055 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.114 -22.673 16.196 1.00 0.00 H new ATOM 879 N MET A 58 0.814 -15.732 10.174 1.00 0.00 N ATOM 880 CA MET A 58 1.386 -16.090 8.881 1.00 0.00 C ATOM 881 C MET A 58 2.774 -15.482 8.714 1.00 0.00 C ATOM 882 O MET A 58 3.662 -16.091 8.114 1.00 0.00 O ATOM 883 CB MET A 58 0.472 -15.623 7.747 1.00 0.00 C ATOM 884 CG MET A 58 -0.738 -16.519 7.532 1.00 0.00 C ATOM 885 SD MET A 58 -1.143 -16.732 5.788 1.00 0.00 S ATOM 886 CE MET A 58 -1.094 -15.034 5.219 1.00 0.00 C ATOM 0 H MET A 58 0.041 -15.069 10.124 1.00 0.00 H new ATOM 0 HA MET A 58 1.477 -17.175 8.840 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.130 -14.610 7.961 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.048 -15.577 6.823 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.547 -17.495 7.978 1.00 0.00 H new ATOM 0 HG3 MET A 58 -1.597 -16.094 8.051 1.00 0.00 H new ATOM 0 HE1 MET A 58 -1.666 -14.943 4.296 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.525 -14.383 5.979 1.00 0.00 H new ATOM 0 HE3 MET A 58 -0.060 -14.742 5.035 1.00 0.00 H new ATOM 896 N TRP A 59 2.957 -14.279 9.247 1.00 0.00 N ATOM 897 CA TRP A 59 4.238 -13.588 9.157 1.00 0.00 C ATOM 898 C TRP A 59 5.335 -14.383 9.858 1.00 0.00 C ATOM 899 O TRP A 59 6.491 -14.372 9.435 1.00 0.00 O ATOM 900 CB TRP A 59 4.132 -12.192 9.772 1.00 0.00 C ATOM 901 CG TRP A 59 5.395 -11.394 9.656 1.00 0.00 C ATOM 902 CD1 TRP A 59 6.204 -10.986 10.678 1.00 0.00 C ATOM 903 CD2 TRP A 59 5.994 -10.905 8.450 1.00 0.00 C ATOM 904 NE1 TRP A 59 7.269 -10.274 10.180 1.00 0.00 N ATOM 905 CE2 TRP A 59 7.162 -10.211 8.816 1.00 0.00 C ATOM 906 CE3 TRP A 59 5.655 -10.988 7.096 1.00 0.00 C ATOM 907 CZ2 TRP A 59 7.993 -9.604 7.877 1.00 0.00 C ATOM 908 CZ3 TRP A 59 6.480 -10.385 6.165 1.00 0.00 C ATOM 909 CH2 TRP A 59 7.637 -9.701 6.559 1.00 0.00 C ATOM 0 H TRP A 59 2.234 -13.762 9.746 1.00 0.00 H new ATOM 0 HA TRP A 59 4.499 -13.494 8.103 1.00 0.00 H new ATOM 0 HB2 TRP A 59 3.322 -11.649 9.285 1.00 0.00 H new ATOM 0 HB3 TRP A 59 3.866 -12.286 10.825 1.00 0.00 H new ATOM 0 HD1 TRP A 59 6.032 -11.193 11.724 1.00 0.00 H new ATOM 0 HE1 TRP A 59 8.017 -9.860 10.736 1.00 0.00 H new ATOM 0 HE3 TRP A 59 4.765 -11.514 6.783 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 8.886 -9.076 8.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 6.228 -10.442 5.116 1.00 0.00 H new ATOM 0 HH2 TRP A 59 8.261 -9.241 5.807 1.00 0.00 H new ATOM 920 N ASN A 60 4.965 -15.074 10.932 1.00 0.00 N ATOM 921 CA ASN A 60 5.916 -15.875 11.692 1.00 0.00 C ATOM 922 C ASN A 60 6.336 -17.113 10.906 1.00 0.00 C ATOM 923 O ASN A 60 7.463 -17.592 11.038 1.00 0.00 O ATOM 924 CB ASN A 60 5.310 -16.291 13.034 1.00 0.00 C ATOM 925 CG ASN A 60 4.897 -15.099 13.875 1.00 0.00 C ATOM 926 OD1 ASN A 60 5.358 -13.979 13.655 1.00 0.00 O ATOM 927 ND2 ASN A 60 4.025 -15.336 14.849 1.00 0.00 N ATOM 0 H ASN A 60 4.012 -15.095 11.295 1.00 0.00 H new ATOM 0 HA ASN A 60 6.800 -15.265 11.875 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.442 -16.926 12.857 1.00 0.00 H new ATOM 0 HB3 ASN A 60 6.034 -16.889 13.587 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.712 -14.574 15.450 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.669 -16.280 14.996 1.00 0.00 H new ATOM 934 N ASP A 61 5.422 -17.627 10.090 1.00 0.00 N ATOM 935 CA ASP A 61 5.696 -18.811 9.283 1.00 0.00 C ATOM 936 C ASP A 61 6.729 -18.506 8.202 1.00 0.00 C ATOM 937 O ASP A 61 7.497 -19.381 7.801 1.00 0.00 O ATOM 938 CB ASP A 61 4.406 -19.327 8.642 1.00 0.00 C ATOM 939 CG ASP A 61 3.767 -20.441 9.446 1.00 0.00 C ATOM 940 OD1 ASP A 61 4.276 -21.581 9.390 1.00 0.00 O ATOM 941 OD2 ASP A 61 2.757 -20.175 10.132 1.00 0.00 O ATOM 0 H ASP A 61 4.485 -17.242 9.970 1.00 0.00 H new ATOM 0 HA ASP A 61 6.101 -19.582 9.939 1.00 0.00 H new ATOM 0 HB2 ASP A 61 3.699 -18.504 8.541 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.622 -19.686 7.636 1.00 0.00 H new ATOM 946 N LEU A 62 6.743 -17.262 7.735 1.00 0.00 N ATOM 947 CA LEU A 62 7.681 -16.845 6.700 1.00 0.00 C ATOM 948 C LEU A 62 9.123 -17.041 7.159 1.00 0.00 C ATOM 949 O LEU A 62 9.381 -17.300 8.335 1.00 0.00 O ATOM 950 CB LEU A 62 7.446 -15.378 6.331 1.00 0.00 C ATOM 951 CG LEU A 62 6.086 -15.080 5.699 1.00 0.00 C ATOM 952 CD1 LEU A 62 5.924 -13.586 5.460 1.00 0.00 C ATOM 953 CD2 LEU A 62 5.924 -15.850 4.397 1.00 0.00 C ATOM 0 H LEU A 62 6.115 -16.525 8.057 1.00 0.00 H new ATOM 0 HA LEU A 62 7.512 -17.466 5.821 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.553 -14.771 7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.228 -15.063 5.640 1.00 0.00 H new ATOM 0 HG LEU A 62 5.307 -15.403 6.389 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.950 -13.393 5.010 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.996 -13.056 6.410 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.709 -13.238 4.789 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.951 -15.626 3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.710 -15.557 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 62 5.995 -16.919 4.595 1.00 0.00 H new ATOM 965 N SER A 63 10.058 -16.915 6.223 1.00 0.00 N ATOM 966 CA SER A 63 11.474 -17.079 6.529 1.00 0.00 C ATOM 967 C SER A 63 12.274 -15.867 6.065 1.00 0.00 C ATOM 968 O SER A 63 11.736 -14.965 5.422 1.00 0.00 O ATOM 969 CB SER A 63 12.018 -18.346 5.869 1.00 0.00 C ATOM 970 OG SER A 63 11.697 -19.498 6.632 1.00 0.00 O ATOM 0 H SER A 63 9.860 -16.700 5.246 1.00 0.00 H new ATOM 0 HA SER A 63 11.578 -17.169 7.610 1.00 0.00 H new ATOM 0 HB2 SER A 63 11.604 -18.444 4.866 1.00 0.00 H new ATOM 0 HB3 SER A 63 13.100 -18.268 5.761 1.00 0.00 H new ATOM 0 HG SER A 63 12.055 -20.295 6.188 1.00 0.00 H new ATOM 976 N GLU A 64 13.562 -15.851 6.394 1.00 0.00 N ATOM 977 CA GLU A 64 14.436 -14.749 6.010 1.00 0.00 C ATOM 978 C GLU A 64 14.527 -14.631 4.491 1.00 0.00 C ATOM 979 O GLU A 64 14.698 -13.537 3.953 1.00 0.00 O ATOM 980 CB GLU A 64 15.832 -14.946 6.607 1.00 0.00 C ATOM 981 CG GLU A 64 16.221 -13.871 7.608 1.00 0.00 C ATOM 982 CD GLU A 64 17.004 -12.739 6.973 1.00 0.00 C ATOM 983 OE1 GLU A 64 16.703 -12.386 5.814 1.00 0.00 O ATOM 984 OE2 GLU A 64 17.918 -12.204 7.635 1.00 0.00 O ATOM 0 H GLU A 64 14.023 -16.589 6.926 1.00 0.00 H new ATOM 0 HA GLU A 64 14.010 -13.825 6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 64 15.875 -15.919 7.096 1.00 0.00 H new ATOM 0 HB3 GLU A 64 16.565 -14.962 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.320 -13.469 8.072 1.00 0.00 H new ATOM 0 HG3 GLU A 64 16.817 -14.319 8.403 1.00 0.00 H new ATOM 991 N LYS A 65 14.414 -15.764 3.806 1.00 0.00 N ATOM 992 CA LYS A 65 14.485 -15.786 2.350 1.00 0.00 C ATOM 993 C LYS A 65 13.197 -15.249 1.732 1.00 0.00 C ATOM 994 O LYS A 65 13.229 -14.544 0.724 1.00 0.00 O ATOM 995 CB LYS A 65 14.749 -17.210 1.853 1.00 0.00 C ATOM 996 CG LYS A 65 16.065 -17.790 2.342 1.00 0.00 C ATOM 997 CD LYS A 65 15.946 -19.277 2.633 1.00 0.00 C ATOM 998 CE LYS A 65 16.736 -19.667 3.872 1.00 0.00 C ATOM 999 NZ LYS A 65 16.909 -21.143 3.978 1.00 0.00 N ATOM 0 H LYS A 65 14.273 -16.678 4.236 1.00 0.00 H new ATOM 0 HA LYS A 65 15.309 -15.142 2.042 1.00 0.00 H new ATOM 0 HB2 LYS A 65 13.934 -17.856 2.178 1.00 0.00 H new ATOM 0 HB3 LYS A 65 14.743 -17.213 0.763 1.00 0.00 H new ATOM 0 HG2 LYS A 65 16.837 -17.626 1.590 1.00 0.00 H new ATOM 0 HG3 LYS A 65 16.382 -17.266 3.244 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.897 -19.539 2.772 1.00 0.00 H new ATOM 0 HD3 LYS A 65 16.306 -19.846 1.776 1.00 0.00 H new ATOM 0 HE2 LYS A 65 17.715 -19.188 3.845 1.00 0.00 H new ATOM 0 HE3 LYS A 65 16.224 -19.297 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 17.453 -21.368 4.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 15.976 -21.599 4.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 17.420 -21.494 3.143 1.00 0.00 H new ATOM 1013 N LYS A 66 12.067 -15.589 2.344 1.00 0.00 N ATOM 1014 CA LYS A 66 10.769 -15.140 1.854 1.00 0.00 C ATOM 1015 C LYS A 66 10.480 -13.712 2.307 1.00 0.00 C ATOM 1016 O LYS A 66 9.875 -12.929 1.575 1.00 0.00 O ATOM 1017 CB LYS A 66 9.663 -16.077 2.344 1.00 0.00 C ATOM 1018 CG LYS A 66 9.858 -17.524 1.921 1.00 0.00 C ATOM 1019 CD LYS A 66 9.152 -17.819 0.607 1.00 0.00 C ATOM 1020 CE LYS A 66 9.250 -19.292 0.242 1.00 0.00 C ATOM 1021 NZ LYS A 66 8.724 -19.561 -1.124 1.00 0.00 N ATOM 0 H LYS A 66 12.024 -16.173 3.179 1.00 0.00 H new ATOM 0 HA LYS A 66 10.794 -15.158 0.764 1.00 0.00 H new ATOM 0 HB2 LYS A 66 9.613 -16.029 3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 66 8.704 -15.723 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 66 10.923 -17.734 1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.476 -18.186 2.698 1.00 0.00 H new ATOM 0 HD2 LYS A 66 8.104 -17.531 0.683 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.592 -17.216 -0.187 1.00 0.00 H new ATOM 0 HE2 LYS A 66 10.290 -19.612 0.300 1.00 0.00 H new ATOM 0 HE3 LYS A 66 8.693 -19.884 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.809 -20.576 -1.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.724 -19.279 -1.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.271 -19.016 -1.820 1.00 0.00 H new ATOM 1035 N LYS A 67 10.914 -13.383 3.519 1.00 0.00 N ATOM 1036 CA LYS A 67 10.702 -12.049 4.071 1.00 0.00 C ATOM 1037 C LYS A 67 11.478 -10.999 3.283 1.00 0.00 C ATOM 1038 O LYS A 67 11.101 -9.828 3.254 1.00 0.00 O ATOM 1039 CB LYS A 67 11.120 -12.012 5.543 1.00 0.00 C ATOM 1040 CG LYS A 67 9.985 -12.323 6.505 1.00 0.00 C ATOM 1041 CD LYS A 67 10.469 -13.141 7.692 1.00 0.00 C ATOM 1042 CE LYS A 67 9.551 -12.974 8.893 1.00 0.00 C ATOM 1043 NZ LYS A 67 10.279 -13.163 10.178 1.00 0.00 N ATOM 0 H LYS A 67 11.414 -14.021 4.138 1.00 0.00 H new ATOM 0 HA LYS A 67 9.639 -11.818 3.995 1.00 0.00 H new ATOM 0 HB2 LYS A 67 11.926 -12.728 5.701 1.00 0.00 H new ATOM 0 HB3 LYS A 67 11.521 -11.025 5.774 1.00 0.00 H new ATOM 0 HG2 LYS A 67 9.542 -11.392 6.860 1.00 0.00 H new ATOM 0 HG3 LYS A 67 9.201 -12.870 5.980 1.00 0.00 H new ATOM 0 HD2 LYS A 67 10.519 -14.194 7.414 1.00 0.00 H new ATOM 0 HD3 LYS A 67 11.480 -12.834 7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.103 -11.981 8.872 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.735 -13.693 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 9.619 -13.041 10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 10.685 -14.120 10.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 11.042 -12.460 10.251 1.00 0.00 H new ATOM 1057 N ALA A 68 12.566 -11.423 2.645 1.00 0.00 N ATOM 1058 CA ALA A 68 13.393 -10.516 1.857 1.00 0.00 C ATOM 1059 C ALA A 68 12.565 -9.787 0.804 1.00 0.00 C ATOM 1060 O ALA A 68 12.877 -8.657 0.427 1.00 0.00 O ATOM 1061 CB ALA A 68 14.533 -11.280 1.200 1.00 0.00 C ATOM 0 H ALA A 68 12.895 -12.389 2.659 1.00 0.00 H new ATOM 0 HA ALA A 68 13.811 -9.768 2.531 1.00 0.00 H new ATOM 0 HB1 ALA A 68 15.143 -10.592 0.615 1.00 0.00 H new ATOM 0 HB2 ALA A 68 15.149 -11.747 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 68 14.125 -12.050 0.545 1.00 0.00 H new ATOM 1067 N LYS A 69 11.508 -10.440 0.333 1.00 0.00 N ATOM 1068 CA LYS A 69 10.635 -9.853 -0.676 1.00 0.00 C ATOM 1069 C LYS A 69 9.974 -8.582 -0.150 1.00 0.00 C ATOM 1070 O LYS A 69 9.895 -7.575 -0.852 1.00 0.00 O ATOM 1071 CB LYS A 69 9.563 -10.859 -1.102 1.00 0.00 C ATOM 1072 CG LYS A 69 10.122 -12.070 -1.829 1.00 0.00 C ATOM 1073 CD LYS A 69 9.111 -12.651 -2.805 1.00 0.00 C ATOM 1074 CE LYS A 69 9.787 -13.192 -4.054 1.00 0.00 C ATOM 1075 NZ LYS A 69 9.911 -14.675 -4.020 1.00 0.00 N ATOM 0 H LYS A 69 11.235 -11.376 0.634 1.00 0.00 H new ATOM 0 HA LYS A 69 11.245 -9.594 -1.541 1.00 0.00 H new ATOM 0 HB2 LYS A 69 9.020 -11.194 -0.219 1.00 0.00 H new ATOM 0 HB3 LYS A 69 8.842 -10.358 -1.748 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.027 -11.787 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 69 10.407 -12.831 -1.103 1.00 0.00 H new ATOM 0 HD2 LYS A 69 8.552 -13.450 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 69 8.391 -11.882 -3.084 1.00 0.00 H new ATOM 0 HE2 LYS A 69 9.215 -12.896 -4.933 1.00 0.00 H new ATOM 0 HE3 LYS A 69 10.777 -12.747 -4.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.377 -15.004 -4.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 10.478 -14.957 -3.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 8.965 -15.101 -3.952 1.00 0.00 H new ATOM 1089 N TYR A 70 9.501 -8.637 1.091 1.00 0.00 N ATOM 1090 CA TYR A 70 8.847 -7.490 1.712 1.00 0.00 C ATOM 1091 C TYR A 70 9.866 -6.600 2.417 1.00 0.00 C ATOM 1092 O TYR A 70 9.695 -5.383 2.492 1.00 0.00 O ATOM 1093 CB TYR A 70 7.785 -7.958 2.709 1.00 0.00 C ATOM 1094 CG TYR A 70 6.920 -9.085 2.191 1.00 0.00 C ATOM 1095 CD1 TYR A 70 5.866 -8.835 1.322 1.00 0.00 C ATOM 1096 CD2 TYR A 70 7.158 -10.400 2.573 1.00 0.00 C ATOM 1097 CE1 TYR A 70 5.073 -9.862 0.848 1.00 0.00 C ATOM 1098 CE2 TYR A 70 6.370 -11.433 2.103 1.00 0.00 C ATOM 1099 CZ TYR A 70 5.329 -11.159 1.240 1.00 0.00 C ATOM 1100 OH TYR A 70 4.542 -12.185 0.770 1.00 0.00 O ATOM 0 H TYR A 70 9.558 -9.463 1.686 1.00 0.00 H new ATOM 0 HA TYR A 70 8.365 -6.909 0.926 1.00 0.00 H new ATOM 0 HB2 TYR A 70 8.278 -8.282 3.626 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.148 -7.113 2.971 1.00 0.00 H new ATOM 0 HD1 TYR A 70 5.663 -7.821 1.012 1.00 0.00 H new ATOM 0 HD2 TYR A 70 7.972 -10.618 3.248 1.00 0.00 H new ATOM 0 HE1 TYR A 70 4.256 -9.650 0.174 1.00 0.00 H new ATOM 0 HE2 TYR A 70 6.568 -12.450 2.410 1.00 0.00 H new ATOM 0 HH TYR A 70 4.857 -13.035 1.142 1.00 0.00 H new ATOM 1110 N LYS A 71 10.925 -7.215 2.934 1.00 0.00 N ATOM 1111 CA LYS A 71 11.971 -6.478 3.634 1.00 0.00 C ATOM 1112 C LYS A 71 12.692 -5.525 2.687 1.00 0.00 C ATOM 1113 O LYS A 71 13.133 -4.449 3.089 1.00 0.00 O ATOM 1114 CB LYS A 71 12.973 -7.448 4.264 1.00 0.00 C ATOM 1115 CG LYS A 71 12.590 -7.892 5.666 1.00 0.00 C ATOM 1116 CD LYS A 71 13.784 -8.461 6.415 1.00 0.00 C ATOM 1117 CE LYS A 71 13.347 -9.407 7.522 1.00 0.00 C ATOM 1118 NZ LYS A 71 14.448 -10.319 7.941 1.00 0.00 N ATOM 0 H LYS A 71 11.081 -8.222 2.881 1.00 0.00 H new ATOM 0 HA LYS A 71 11.501 -5.890 4.423 1.00 0.00 H new ATOM 0 HB2 LYS A 71 13.066 -8.327 3.626 1.00 0.00 H new ATOM 0 HB3 LYS A 71 13.954 -6.974 4.297 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.182 -7.045 6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.803 -8.644 5.609 1.00 0.00 H new ATOM 0 HD2 LYS A 71 14.434 -8.990 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 71 14.370 -7.646 6.841 1.00 0.00 H new ATOM 0 HE2 LYS A 71 13.008 -8.828 8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.497 -9.997 7.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 14.109 -10.948 8.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 14.754 -10.890 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 15.250 -9.757 8.291 1.00 0.00 H new ATOM 1132 N ALA A 72 12.812 -5.929 1.426 1.00 0.00 N ATOM 1133 CA ALA A 72 13.481 -5.112 0.422 1.00 0.00 C ATOM 1134 C ALA A 72 12.642 -3.890 0.063 1.00 0.00 C ATOM 1135 O ALA A 72 13.172 -2.793 -0.119 1.00 0.00 O ATOM 1136 CB ALA A 72 13.771 -5.938 -0.821 1.00 0.00 C ATOM 0 H ALA A 72 12.454 -6.818 1.076 1.00 0.00 H new ATOM 0 HA ALA A 72 14.425 -4.763 0.842 1.00 0.00 H new ATOM 0 HB1 ALA A 72 14.271 -5.315 -1.563 1.00 0.00 H new ATOM 0 HB2 ALA A 72 14.415 -6.777 -0.558 1.00 0.00 H new ATOM 0 HB3 ALA A 72 12.835 -6.314 -1.234 1.00 0.00 H new ATOM 1142 N ARG A 73 11.332 -4.086 -0.036 1.00 0.00 N ATOM 1143 CA ARG A 73 10.419 -2.999 -0.373 1.00 0.00 C ATOM 1144 C ARG A 73 10.272 -2.029 0.795 1.00 0.00 C ATOM 1145 O ARG A 73 10.006 -0.843 0.600 1.00 0.00 O ATOM 1146 CB ARG A 73 9.048 -3.559 -0.760 1.00 0.00 C ATOM 1147 CG ARG A 73 9.081 -4.452 -1.989 1.00 0.00 C ATOM 1148 CD ARG A 73 7.748 -5.150 -2.206 1.00 0.00 C ATOM 1149 NE ARG A 73 7.386 -5.212 -3.620 1.00 0.00 N ATOM 1150 CZ ARG A 73 6.149 -5.436 -4.060 1.00 0.00 C ATOM 1151 NH1 ARG A 73 5.154 -5.620 -3.200 1.00 0.00 N ATOM 1152 NH2 ARG A 73 5.907 -5.477 -5.363 1.00 0.00 N ATOM 0 H ARG A 73 10.878 -4.987 0.112 1.00 0.00 H new ATOM 0 HA ARG A 73 10.837 -2.457 -1.222 1.00 0.00 H new ATOM 0 HB2 ARG A 73 8.646 -4.126 0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 73 8.364 -2.730 -0.942 1.00 0.00 H new ATOM 0 HG2 ARG A 73 9.328 -3.855 -2.867 1.00 0.00 H new ATOM 0 HG3 ARG A 73 9.869 -5.197 -1.878 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.798 -6.160 -1.800 1.00 0.00 H new ATOM 0 HD3 ARG A 73 6.969 -4.623 -1.655 1.00 0.00 H new ATOM 0 HE ARG A 73 8.124 -5.076 -4.311 1.00 0.00 H new ATOM 0 HH11 ARG A 73 5.335 -5.590 -2.197 1.00 0.00 H new ATOM 0 HH12 ARG A 73 4.209 -5.791 -3.543 1.00 0.00 H new ATOM 0 HH21 ARG A 73 6.668 -5.337 -6.028 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.960 -5.649 -5.701 1.00 0.00 H new ATOM 1166 N GLU A 74 10.447 -2.540 2.011 1.00 0.00 N ATOM 1167 CA GLU A 74 10.333 -1.718 3.211 1.00 0.00 C ATOM 1168 C GLU A 74 11.314 -0.551 3.168 1.00 0.00 C ATOM 1169 O GLU A 74 10.972 0.573 3.535 1.00 0.00 O ATOM 1170 CB GLU A 74 10.585 -2.567 4.459 1.00 0.00 C ATOM 1171 CG GLU A 74 10.364 -1.814 5.760 1.00 0.00 C ATOM 1172 CD GLU A 74 11.664 -1.420 6.434 1.00 0.00 C ATOM 1173 OE1 GLU A 74 12.667 -1.216 5.717 1.00 0.00 O ATOM 1174 OE2 GLU A 74 11.681 -1.318 7.678 1.00 0.00 O ATOM 0 H GLU A 74 10.668 -3.519 2.191 1.00 0.00 H new ATOM 0 HA GLU A 74 9.321 -1.315 3.251 1.00 0.00 H new ATOM 0 HB2 GLU A 74 9.928 -3.436 4.436 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.609 -2.940 4.434 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.776 -0.918 5.561 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.780 -2.434 6.440 1.00 0.00 H new ATOM 1181 N ALA A 75 12.535 -0.826 2.721 1.00 0.00 N ATOM 1182 CA ALA A 75 13.566 0.201 2.633 1.00 0.00 C ATOM 1183 C ALA A 75 13.171 1.295 1.646 1.00 0.00 C ATOM 1184 O ALA A 75 13.550 2.454 1.806 1.00 0.00 O ATOM 1185 CB ALA A 75 14.894 -0.420 2.231 1.00 0.00 C ATOM 0 H ALA A 75 12.834 -1.752 2.414 1.00 0.00 H new ATOM 0 HA ALA A 75 13.673 0.658 3.617 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.655 0.358 2.169 1.00 0.00 H new ATOM 0 HB2 ALA A 75 15.190 -1.159 2.975 1.00 0.00 H new ATOM 0 HB3 ALA A 75 14.790 -0.904 1.260 1.00 0.00 H new ATOM 1191 N ALA A 76 12.408 0.917 0.625 1.00 0.00 N ATOM 1192 CA ALA A 76 11.964 1.867 -0.387 1.00 0.00 C ATOM 1193 C ALA A 76 10.631 2.499 -0.002 1.00 0.00 C ATOM 1194 O ALA A 76 10.359 3.652 -0.338 1.00 0.00 O ATOM 1195 CB ALA A 76 11.852 1.181 -1.741 1.00 0.00 C ATOM 0 H ALA A 76 12.085 -0.039 0.477 1.00 0.00 H new ATOM 0 HA ALA A 76 12.707 2.662 -0.453 1.00 0.00 H new ATOM 0 HB1 ALA A 76 11.519 1.902 -2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 76 12.825 0.783 -2.029 1.00 0.00 H new ATOM 0 HB3 ALA A 76 11.131 0.366 -1.677 1.00 0.00 H new ATOM 1201 N LEU A 77 9.803 1.739 0.707 1.00 0.00 N ATOM 1202 CA LEU A 77 8.498 2.227 1.137 1.00 0.00 C ATOM 1203 C LEU A 77 8.637 3.184 2.317 1.00 0.00 C ATOM 1204 O LEU A 77 8.012 4.245 2.345 1.00 0.00 O ATOM 1205 CB LEU A 77 7.593 1.054 1.521 1.00 0.00 C ATOM 1206 CG LEU A 77 7.108 0.200 0.349 1.00 0.00 C ATOM 1207 CD1 LEU A 77 6.725 -1.193 0.825 1.00 0.00 C ATOM 1208 CD2 LEU A 77 5.931 0.870 -0.345 1.00 0.00 C ATOM 0 H LEU A 77 10.012 0.783 0.996 1.00 0.00 H new ATOM 0 HA LEU A 77 8.048 2.768 0.305 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.131 0.413 2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 77 6.724 1.444 2.051 1.00 0.00 H new ATOM 0 HG LEU A 77 7.923 0.104 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 77 6.382 -1.786 -0.023 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.592 -1.674 1.277 1.00 0.00 H new ATOM 0 HD13 LEU A 77 5.926 -1.119 1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.598 0.249 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 77 5.113 0.995 0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.238 1.846 -0.721 1.00 0.00 H new ATOM 1220 N LYS A 78 9.460 2.804 3.289 1.00 0.00 N ATOM 1221 CA LYS A 78 9.680 3.629 4.470 1.00 0.00 C ATOM 1222 C LYS A 78 10.257 4.987 4.083 1.00 0.00 C ATOM 1223 O LYS A 78 9.948 6.004 4.705 1.00 0.00 O ATOM 1224 CB LYS A 78 10.622 2.921 5.446 1.00 0.00 C ATOM 1225 CG LYS A 78 10.354 3.258 6.903 1.00 0.00 C ATOM 1226 CD LYS A 78 10.823 2.147 7.828 1.00 0.00 C ATOM 1227 CE LYS A 78 11.184 2.681 9.205 1.00 0.00 C ATOM 1228 NZ LYS A 78 10.704 1.786 10.293 1.00 0.00 N ATOM 0 H LYS A 78 9.985 1.930 3.281 1.00 0.00 H new ATOM 0 HA LYS A 78 8.718 3.787 4.957 1.00 0.00 H new ATOM 0 HB2 LYS A 78 10.531 1.844 5.308 1.00 0.00 H new ATOM 0 HB3 LYS A 78 11.651 3.188 5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 78 10.862 4.187 7.162 1.00 0.00 H new ATOM 0 HG3 LYS A 78 9.287 3.427 7.048 1.00 0.00 H new ATOM 0 HD2 LYS A 78 10.039 1.396 7.922 1.00 0.00 H new ATOM 0 HD3 LYS A 78 11.689 1.650 7.391 1.00 0.00 H new ATOM 0 HE2 LYS A 78 12.266 2.793 9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 78 10.751 3.673 9.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 10.971 2.187 11.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 9.669 1.699 10.240 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 11.136 0.846 10.186 1.00 0.00 H new