USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 387 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 26 TYR OH : rot 165:sc= 0 USER MOD Set 1.2: A 40 GLN : amide:sc= -2.96! C(o=-3!,f=-13!) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 1.16 K(o=1.2,f=-4.8!) USER MOD Set 2.2: A 36 TYR OH : rot 130:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 163:sc= -0.921 (180deg=-0.959) USER MOD Single : A 9 SER OG : rot 108:sc= 1.24 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 15 GLN : amide:sc= -1.33 K(o=-1.3,f=-3.5!) USER MOD Single : A 16 THR OG1 : rot 129:sc= 1.25 USER MOD Single : A 24 THR OG1 : rot 38:sc= 0.0713 USER MOD Single : A 29 ASN : amide:sc= -0.784! C(o=-0.78!,f=-8.7!) USER MOD Single : A 32 HIS :FLIP no HE2:sc= -2.84 F(o=-3.9!,f=-2.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 1.21 (180deg=1.21) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 169:sc= -2.54! (180deg=-3.25) USER MOD Single : A 60 LYS NZ :NH3+ 173:sc= 0.809 (180deg=0.592) USER MOD Single : A 61 SER OG : rot -76:sc= 0.58 USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.709 10.475 2.360 1.00 0.00 N ATOM 423 CA GLY A 1 -10.860 10.721 1.154 1.00 0.00 C ATOM 424 C GLY A 1 -11.240 9.734 0.044 1.00 0.00 C ATOM 425 O GLY A 1 -11.996 8.807 0.273 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.274 10.928 3.189 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.657 10.874 2.205 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.787 9.451 2.526 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.995 11.745 0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.807 10.608 1.410 1.00 0.00 H new ATOM 429 N PRO A 2 -10.707 9.970 -1.130 1.00 0.00 N ATOM 430 CA PRO A 2 -11.004 9.093 -2.298 1.00 0.00 C ATOM 431 C PRO A 2 -10.369 7.701 -2.148 1.00 0.00 C ATOM 432 O PRO A 2 -10.894 6.718 -2.640 1.00 0.00 O ATOM 433 CB PRO A 2 -10.390 9.850 -3.476 1.00 0.00 C ATOM 434 CG PRO A 2 -9.322 10.702 -2.872 1.00 0.00 C ATOM 435 CD PRO A 2 -9.784 11.059 -1.485 1.00 0.00 C ATOM 0 HA PRO A 2 -12.071 8.906 -2.415 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -9.977 9.163 -4.215 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.137 10.457 -3.988 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -8.373 10.166 -2.838 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -9.160 11.600 -3.469 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.948 11.118 -0.788 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.283 12.028 -1.467 1.00 0.00 H new ATOM 443 N CYS A 3 -9.246 7.600 -1.480 1.00 0.00 N ATOM 444 CA CYS A 3 -8.591 6.264 -1.319 1.00 0.00 C ATOM 445 C CYS A 3 -9.464 5.336 -0.476 1.00 0.00 C ATOM 446 O CYS A 3 -9.625 4.179 -0.808 1.00 0.00 O ATOM 447 CB CYS A 3 -7.254 6.525 -0.627 1.00 0.00 C ATOM 448 SG CYS A 3 -6.353 4.969 -0.432 1.00 0.00 S ATOM 0 H CYS A 3 -8.757 8.380 -1.041 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.447 5.774 -2.282 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.662 7.228 -1.213 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.422 6.984 0.347 1.00 0.00 H new ATOM 453 N ARG A 4 -10.036 5.814 0.608 1.00 0.00 N ATOM 454 CA ARG A 4 -10.894 4.908 1.437 1.00 0.00 C ATOM 455 C ARG A 4 -11.976 4.264 0.559 1.00 0.00 C ATOM 456 O ARG A 4 -12.243 3.080 0.663 1.00 0.00 O ATOM 457 CB ARG A 4 -11.530 5.807 2.503 1.00 0.00 C ATOM 458 CG ARG A 4 -12.123 4.940 3.618 1.00 0.00 C ATOM 459 CD ARG A 4 -13.562 4.547 3.259 1.00 0.00 C ATOM 460 NE ARG A 4 -13.919 3.455 4.210 1.00 0.00 N ATOM 461 CZ ARG A 4 -14.371 2.317 3.756 1.00 0.00 C ATOM 462 NH1 ARG A 4 -15.568 2.262 3.233 1.00 0.00 N ATOM 463 NH2 ARG A 4 -13.633 1.241 3.832 1.00 0.00 N ATOM 0 H ARG A 4 -9.948 6.772 0.948 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.320 4.098 1.888 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.783 6.485 2.914 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.309 6.424 2.055 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.516 4.046 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.110 5.485 4.562 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.239 5.395 3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.631 4.207 2.226 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.810 3.597 5.214 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -16.141 3.104 3.182 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.928 1.377 2.876 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -12.702 1.289 4.246 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -13.988 0.353 3.477 1.00 0.00 H new ATOM 477 N ARG A 5 -12.585 5.024 -0.311 1.00 0.00 N ATOM 478 CA ARG A 5 -13.635 4.445 -1.200 1.00 0.00 C ATOM 479 C ARG A 5 -12.992 3.454 -2.177 1.00 0.00 C ATOM 480 O ARG A 5 -13.507 2.372 -2.406 1.00 0.00 O ATOM 481 CB ARG A 5 -14.238 5.637 -1.949 1.00 0.00 C ATOM 482 CG ARG A 5 -14.716 6.692 -0.943 1.00 0.00 C ATOM 483 CD ARG A 5 -15.716 7.633 -1.623 1.00 0.00 C ATOM 484 NE ARG A 5 -16.848 6.765 -2.054 1.00 0.00 N ATOM 485 CZ ARG A 5 -17.412 6.977 -3.215 1.00 0.00 C ATOM 486 NH1 ARG A 5 -18.334 7.896 -3.330 1.00 0.00 N ATOM 487 NH2 ARG A 5 -17.044 6.276 -4.253 1.00 0.00 N ATOM 0 H ARG A 5 -12.402 6.018 -0.445 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.399 3.901 -0.644 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.496 6.070 -2.620 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -15.072 5.306 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.183 6.207 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.866 7.260 -0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -16.055 8.408 -0.936 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.262 8.139 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 5 -17.180 6.013 -1.450 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.611 8.445 -2.516 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -18.776 8.064 -4.234 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.319 5.565 -4.157 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.482 6.439 -5.160 1.00 0.00 H new ATOM 501 N HIS A 6 -11.861 3.808 -2.737 1.00 0.00 N ATOM 502 CA HIS A 6 -11.167 2.883 -3.680 1.00 0.00 C ATOM 503 C HIS A 6 -10.700 1.644 -2.916 1.00 0.00 C ATOM 504 O HIS A 6 -10.885 0.525 -3.359 1.00 0.00 O ATOM 505 CB HIS A 6 -9.963 3.666 -4.218 1.00 0.00 C ATOM 506 CG HIS A 6 -10.398 4.554 -5.350 1.00 0.00 C ATOM 507 ND1 HIS A 6 -10.952 5.806 -5.138 1.00 0.00 N ATOM 508 CD2 HIS A 6 -10.362 4.385 -6.711 1.00 0.00 C ATOM 509 CE1 HIS A 6 -11.226 6.336 -6.344 1.00 0.00 C ATOM 510 NE2 HIS A 6 -10.886 5.512 -7.337 1.00 0.00 N ATOM 0 H HIS A 6 -11.390 4.699 -2.580 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.816 2.551 -4.490 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.522 4.266 -3.422 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.192 2.976 -4.561 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -11.121 6.246 -4.233 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.984 3.510 -7.219 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.668 7.311 -6.491 1.00 0.00 H new ATOM 518 N LEU A 7 -10.113 1.834 -1.758 1.00 0.00 N ATOM 519 CA LEU A 7 -9.643 0.674 -0.951 1.00 0.00 C ATOM 520 C LEU A 7 -10.820 -0.258 -0.655 1.00 0.00 C ATOM 521 O LEU A 7 -10.756 -1.445 -0.903 1.00 0.00 O ATOM 522 CB LEU A 7 -9.105 1.289 0.351 1.00 0.00 C ATOM 523 CG LEU A 7 -7.843 0.549 0.796 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.347 1.137 2.120 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.155 -0.937 0.986 1.00 0.00 C ATOM 0 H LEU A 7 -9.941 2.748 -1.339 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.884 0.085 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.883 2.345 0.199 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.864 1.232 1.131 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.072 0.662 0.033 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.447 0.610 2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.120 2.195 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.120 1.026 2.880 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.253 -1.461 1.303 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.928 -1.052 1.746 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.507 -1.358 0.044 1.00 0.00 H new ATOM 537 N ASP A 8 -11.895 0.282 -0.141 1.00 0.00 N ATOM 538 CA ASP A 8 -13.091 -0.559 0.173 1.00 0.00 C ATOM 539 C ASP A 8 -13.546 -1.319 -1.079 1.00 0.00 C ATOM 540 O ASP A 8 -13.798 -2.505 -1.046 1.00 0.00 O ATOM 541 CB ASP A 8 -14.164 0.449 0.600 1.00 0.00 C ATOM 542 CG ASP A 8 -15.395 -0.282 1.120 1.00 0.00 C ATOM 543 OD1 ASP A 8 -16.240 -0.626 0.312 1.00 0.00 O ATOM 544 OD2 ASP A 8 -15.489 -0.461 2.323 1.00 0.00 O ATOM 0 H ASP A 8 -11.997 1.273 0.076 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.888 -1.304 0.942 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.768 1.106 1.374 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.437 1.081 -0.245 1.00 0.00 H new ATOM 549 N SER A 9 -13.645 -0.633 -2.180 1.00 0.00 N ATOM 550 CA SER A 9 -14.084 -1.280 -3.451 1.00 0.00 C ATOM 551 C SER A 9 -13.028 -2.273 -3.954 1.00 0.00 C ATOM 552 O SER A 9 -13.341 -3.399 -4.302 1.00 0.00 O ATOM 553 CB SER A 9 -14.259 -0.124 -4.439 1.00 0.00 C ATOM 554 OG SER A 9 -15.052 0.901 -3.837 1.00 0.00 O ATOM 0 H SER A 9 -13.438 0.363 -2.257 1.00 0.00 H new ATOM 0 HA SER A 9 -15.002 -1.853 -3.322 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.286 0.275 -4.725 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.738 -0.480 -5.351 1.00 0.00 H new ATOM 0 HG SER A 9 -14.483 1.667 -3.616 1.00 0.00 H new ATOM 560 N VAL A 10 -11.786 -1.864 -4.003 1.00 0.00 N ATOM 561 CA VAL A 10 -10.722 -2.785 -4.498 1.00 0.00 C ATOM 562 C VAL A 10 -10.526 -3.941 -3.519 1.00 0.00 C ATOM 563 O VAL A 10 -10.490 -5.089 -3.907 1.00 0.00 O ATOM 564 CB VAL A 10 -9.443 -1.930 -4.575 1.00 0.00 C ATOM 565 CG1 VAL A 10 -8.245 -2.815 -4.932 1.00 0.00 C ATOM 566 CG2 VAL A 10 -9.602 -0.848 -5.645 1.00 0.00 C ATOM 0 H VAL A 10 -11.465 -0.937 -3.723 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.979 -3.220 -5.464 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.276 -1.462 -3.605 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.344 -2.204 -4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.119 -3.582 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.418 -3.290 -5.898 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.693 -0.248 -5.693 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.779 -1.317 -6.613 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.447 -0.208 -5.392 1.00 0.00 H new ATOM 576 N LEU A 11 -10.396 -3.656 -2.255 1.00 0.00 N ATOM 577 CA LEU A 11 -10.177 -4.759 -1.283 1.00 0.00 C ATOM 578 C LEU A 11 -11.412 -5.653 -1.178 1.00 0.00 C ATOM 579 O LEU A 11 -11.283 -6.849 -1.024 1.00 0.00 O ATOM 580 CB LEU A 11 -9.818 -4.091 0.063 1.00 0.00 C ATOM 581 CG LEU A 11 -11.034 -4.027 1.005 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.159 -5.342 1.784 1.00 0.00 C ATOM 583 CD2 LEU A 11 -10.847 -2.875 1.996 1.00 0.00 C ATOM 0 H LEU A 11 -10.431 -2.718 -1.856 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.369 -5.417 -1.602 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.014 -4.648 0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.444 -3.083 -0.118 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.936 -3.868 0.415 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.021 -5.291 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.289 -6.168 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.256 -5.503 2.373 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.707 -2.827 2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.942 -3.041 2.580 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.759 -1.936 1.450 1.00 0.00 H new ATOM 595 N GLN A 12 -12.604 -5.118 -1.247 1.00 0.00 N ATOM 596 CA GLN A 12 -13.774 -6.030 -1.123 1.00 0.00 C ATOM 597 C GLN A 12 -13.848 -6.974 -2.330 1.00 0.00 C ATOM 598 O GLN A 12 -13.951 -8.175 -2.167 1.00 0.00 O ATOM 599 CB GLN A 12 -15.007 -5.127 -1.081 1.00 0.00 C ATOM 600 CG GLN A 12 -15.163 -4.521 0.319 1.00 0.00 C ATOM 601 CD GLN A 12 -16.320 -5.204 1.052 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.472 -5.012 0.704 1.00 0.00 O ATOM 603 NE2 GLN A 12 -16.067 -6.004 2.051 1.00 0.00 N ATOM 0 H GLN A 12 -12.812 -4.128 -1.379 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.701 -6.652 -0.231 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.912 -4.333 -1.822 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.897 -5.700 -1.340 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.239 -4.644 0.884 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.350 -3.450 0.243 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.103 -6.166 2.343 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.833 -6.468 2.540 1.00 0.00 H new ATOM 612 N GLN A 13 -13.790 -6.461 -3.537 1.00 0.00 N ATOM 613 CA GLN A 13 -13.853 -7.373 -4.729 1.00 0.00 C ATOM 614 C GLN A 13 -12.514 -8.050 -5.030 1.00 0.00 C ATOM 615 O GLN A 13 -12.440 -9.252 -5.192 1.00 0.00 O ATOM 616 CB GLN A 13 -14.225 -6.486 -5.912 1.00 0.00 C ATOM 617 CG GLN A 13 -15.384 -7.112 -6.694 1.00 0.00 C ATOM 618 CD GLN A 13 -15.152 -6.917 -8.193 1.00 0.00 C ATOM 619 OE1 GLN A 13 -14.720 -5.864 -8.619 1.00 0.00 O ATOM 620 NE2 GLN A 13 -15.411 -7.890 -9.018 1.00 0.00 N ATOM 0 H GLN A 13 -13.703 -5.467 -3.749 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.572 -8.170 -4.538 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.508 -5.494 -5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.362 -6.357 -6.566 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.461 -8.174 -6.462 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.327 -6.652 -6.398 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.774 -8.775 -8.665 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.251 -7.767 -10.018 1.00 0.00 H new ATOM 629 N LEU A 14 -11.464 -7.273 -5.162 1.00 0.00 N ATOM 630 CA LEU A 14 -10.142 -7.868 -5.526 1.00 0.00 C ATOM 631 C LEU A 14 -9.554 -8.677 -4.392 1.00 0.00 C ATOM 632 O LEU A 14 -9.146 -9.800 -4.583 1.00 0.00 O ATOM 633 CB LEU A 14 -9.227 -6.691 -5.874 1.00 0.00 C ATOM 634 CG LEU A 14 -9.675 -6.073 -7.203 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.821 -4.850 -7.520 1.00 0.00 C ATOM 636 CD2 LEU A 14 -9.513 -7.099 -8.325 1.00 0.00 C ATOM 0 H LEU A 14 -11.467 -6.261 -5.034 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.254 -8.558 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.262 -5.943 -5.082 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.193 -7.029 -5.948 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.721 -5.776 -7.122 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -9.145 -4.416 -8.466 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.932 -4.113 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.775 -5.147 -7.596 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.832 -6.659 -9.270 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.467 -7.396 -8.398 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.125 -7.975 -8.108 1.00 0.00 H new ATOM 648 N GLN A 15 -9.509 -8.157 -3.205 1.00 0.00 N ATOM 649 CA GLN A 15 -8.925 -8.977 -2.113 1.00 0.00 C ATOM 650 C GLN A 15 -9.741 -10.242 -1.936 1.00 0.00 C ATOM 651 O GLN A 15 -9.253 -11.233 -1.428 1.00 0.00 O ATOM 652 CB GLN A 15 -8.926 -8.117 -0.844 1.00 0.00 C ATOM 653 CG GLN A 15 -7.686 -8.448 -0.006 1.00 0.00 C ATOM 654 CD GLN A 15 -7.290 -7.238 0.841 1.00 0.00 C ATOM 655 OE1 GLN A 15 -6.431 -6.467 0.453 1.00 0.00 O ATOM 656 NE2 GLN A 15 -7.875 -7.034 1.989 1.00 0.00 N ATOM 0 H GLN A 15 -9.840 -7.228 -2.945 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.904 -9.282 -2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -8.929 -7.059 -1.108 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -9.831 -8.304 -0.265 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.890 -9.303 0.639 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -6.860 -8.731 -0.659 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -8.595 -7.678 2.316 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -7.613 -6.230 2.559 1.00 0.00 H new ATOM 665 N THR A 16 -10.965 -10.236 -2.370 1.00 0.00 N ATOM 666 CA THR A 16 -11.772 -11.451 -2.233 1.00 0.00 C ATOM 667 C THR A 16 -11.467 -12.427 -3.371 1.00 0.00 C ATOM 668 O THR A 16 -11.225 -13.598 -3.128 1.00 0.00 O ATOM 669 CB THR A 16 -13.221 -10.960 -2.315 1.00 0.00 C ATOM 670 OG1 THR A 16 -13.635 -10.463 -1.048 1.00 0.00 O ATOM 671 CG2 THR A 16 -14.130 -12.106 -2.727 1.00 0.00 C ATOM 0 H THR A 16 -11.431 -9.443 -2.810 1.00 0.00 H new ATOM 0 HA THR A 16 -11.568 -11.984 -1.305 1.00 0.00 H new ATOM 0 HB THR A 16 -13.283 -10.162 -3.055 1.00 0.00 H new ATOM 0 HG1 THR A 16 -14.018 -9.568 -1.157 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.159 -11.752 -2.784 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.821 -12.483 -3.702 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.062 -12.907 -1.991 1.00 0.00 H new ATOM 679 N GLU A 17 -11.489 -11.988 -4.613 1.00 0.00 N ATOM 680 CA GLU A 17 -11.214 -12.983 -5.708 1.00 0.00 C ATOM 681 C GLU A 17 -9.797 -12.889 -6.275 1.00 0.00 C ATOM 682 O GLU A 17 -9.470 -13.564 -7.234 1.00 0.00 O ATOM 683 CB GLU A 17 -12.238 -12.663 -6.805 1.00 0.00 C ATOM 684 CG GLU A 17 -13.657 -12.639 -6.215 1.00 0.00 C ATOM 685 CD GLU A 17 -14.447 -13.829 -6.742 1.00 0.00 C ATOM 686 OE1 GLU A 17 -14.927 -13.750 -7.857 1.00 0.00 O ATOM 687 OE2 GLU A 17 -14.565 -14.804 -6.026 1.00 0.00 O ATOM 0 H GLU A 17 -11.676 -11.030 -4.908 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.297 -13.997 -5.318 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.008 -11.698 -7.257 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.178 -13.409 -7.597 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.610 -12.673 -5.127 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -14.158 -11.709 -6.483 1.00 0.00 H new ATOM 789 N THR A 24 0.065 -11.456 -7.186 1.00 0.00 N ATOM 790 CA THR A 24 0.606 -10.604 -6.092 1.00 0.00 C ATOM 791 C THR A 24 -0.107 -9.238 -6.218 1.00 0.00 C ATOM 792 O THR A 24 0.532 -8.208 -6.359 1.00 0.00 O ATOM 793 CB THR A 24 2.113 -10.451 -6.343 1.00 0.00 C ATOM 794 OG1 THR A 24 2.787 -11.713 -6.313 1.00 0.00 O ATOM 795 CG2 THR A 24 2.680 -9.561 -5.256 1.00 0.00 C ATOM 0 HA THR A 24 0.447 -11.021 -5.098 1.00 0.00 H new ATOM 0 HB THR A 24 2.262 -10.019 -7.332 1.00 0.00 H new ATOM 0 HG1 THR A 24 2.220 -12.397 -6.728 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.752 -9.435 -5.411 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.192 -8.587 -5.292 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.505 -10.019 -4.283 1.00 0.00 H new ATOM 803 N LEU A 25 -1.405 -9.233 -6.320 1.00 0.00 N ATOM 804 CA LEU A 25 -2.126 -7.953 -6.617 1.00 0.00 C ATOM 805 C LEU A 25 -2.043 -6.989 -5.451 1.00 0.00 C ATOM 806 O LEU A 25 -2.260 -7.316 -4.306 1.00 0.00 O ATOM 807 CB LEU A 25 -3.580 -8.344 -6.875 1.00 0.00 C ATOM 808 CG LEU A 25 -4.215 -7.351 -7.858 1.00 0.00 C ATOM 809 CD1 LEU A 25 -4.899 -8.116 -8.993 1.00 0.00 C ATOM 810 CD2 LEU A 25 -5.251 -6.494 -7.126 1.00 0.00 C ATOM 0 H LEU A 25 -2.001 -10.053 -6.212 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.680 -7.446 -7.473 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.629 -9.354 -7.281 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.137 -8.350 -5.938 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.438 -6.708 -8.271 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -5.349 -7.408 -9.689 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.162 -8.723 -9.518 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.674 -8.762 -8.581 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.701 -5.790 -7.826 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.027 -7.137 -6.710 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.765 -5.944 -6.320 1.00 0.00 H new ATOM 822 N TYR A 26 -1.632 -5.806 -5.790 1.00 0.00 N ATOM 823 CA TYR A 26 -1.387 -4.728 -4.794 1.00 0.00 C ATOM 824 C TYR A 26 -2.645 -3.947 -4.383 1.00 0.00 C ATOM 825 O TYR A 26 -3.482 -3.602 -5.198 1.00 0.00 O ATOM 826 CB TYR A 26 -0.344 -3.812 -5.479 1.00 0.00 C ATOM 827 CG TYR A 26 -0.960 -2.486 -5.873 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.552 -2.331 -7.131 1.00 0.00 C ATOM 829 CD2 TYR A 26 -0.936 -1.415 -4.972 1.00 0.00 C ATOM 830 CE1 TYR A 26 -2.126 -1.107 -7.484 1.00 0.00 C ATOM 831 CE2 TYR A 26 -1.510 -0.192 -5.327 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.102 -0.036 -6.585 1.00 0.00 C ATOM 833 OH TYR A 26 -2.669 1.169 -6.936 1.00 0.00 O ATOM 0 H TYR A 26 -1.448 -5.529 -6.754 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.041 -5.148 -3.850 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.494 -3.641 -4.803 1.00 0.00 H new ATOM 0 HB3 TYR A 26 0.056 -4.308 -6.363 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -1.565 -3.156 -7.828 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.474 -1.534 -4.003 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -2.589 -0.988 -8.452 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -1.497 0.633 -4.630 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.785 1.722 -6.135 1.00 0.00 H new ATOM 843 N VAL A 27 -2.740 -3.646 -3.114 1.00 0.00 N ATOM 844 CA VAL A 27 -3.887 -2.848 -2.590 1.00 0.00 C ATOM 845 C VAL A 27 -3.340 -1.509 -2.052 1.00 0.00 C ATOM 846 O VAL A 27 -2.277 -1.475 -1.446 1.00 0.00 O ATOM 847 CB VAL A 27 -4.509 -3.706 -1.480 1.00 0.00 C ATOM 848 CG1 VAL A 27 -5.339 -2.836 -0.529 1.00 0.00 C ATOM 849 CG2 VAL A 27 -5.431 -4.749 -2.115 1.00 0.00 C ATOM 0 H VAL A 27 -2.059 -3.925 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.638 -2.611 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.709 -4.188 -0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -5.772 -3.461 0.252 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.698 -2.080 -0.075 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.137 -2.347 -1.087 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.878 -5.364 -1.334 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.219 -4.245 -2.675 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.854 -5.382 -2.789 1.00 0.00 H new ATOM 859 N PRO A 28 -4.061 -0.447 -2.333 1.00 0.00 N ATOM 860 CA PRO A 28 -3.631 0.917 -1.911 1.00 0.00 C ATOM 861 C PRO A 28 -3.863 1.186 -0.412 1.00 0.00 C ATOM 862 O PRO A 28 -4.764 0.646 0.204 1.00 0.00 O ATOM 863 CB PRO A 28 -4.500 1.842 -2.759 1.00 0.00 C ATOM 864 CG PRO A 28 -5.719 1.044 -3.096 1.00 0.00 C ATOM 865 CD PRO A 28 -5.330 -0.411 -3.082 1.00 0.00 C ATOM 0 HA PRO A 28 -2.560 1.059 -2.054 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.762 2.747 -2.211 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.975 2.157 -3.661 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.513 1.235 -2.374 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.104 1.328 -4.076 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.093 -1.021 -2.599 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.205 -0.798 -4.093 1.00 0.00 H new ATOM 873 N ASN A 29 -3.047 2.040 0.164 1.00 0.00 N ATOM 874 CA ASN A 29 -3.194 2.392 1.612 1.00 0.00 C ATOM 875 C ASN A 29 -3.679 3.823 1.753 1.00 0.00 C ATOM 876 O ASN A 29 -3.183 4.710 1.087 1.00 0.00 O ATOM 877 CB ASN A 29 -1.797 2.341 2.206 1.00 0.00 C ATOM 878 CG ASN A 29 -1.882 2.272 3.737 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.679 1.229 4.325 1.00 0.00 O ATOM 880 ND2 ASN A 29 -2.158 3.351 4.414 1.00 0.00 N ATOM 0 H ASN A 29 -2.279 2.512 -0.313 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.896 1.714 2.098 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.261 1.472 1.823 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.232 3.223 1.904 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.203 3.317 5.432 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.329 4.230 3.925 1.00 0.00 H new ATOM 887 N CYS A 30 -4.588 4.078 2.640 1.00 0.00 N ATOM 888 CA CYS A 30 -5.036 5.482 2.827 1.00 0.00 C ATOM 889 C CYS A 30 -4.768 5.913 4.259 1.00 0.00 C ATOM 890 O CYS A 30 -5.088 5.218 5.206 1.00 0.00 O ATOM 891 CB CYS A 30 -6.540 5.512 2.546 1.00 0.00 C ATOM 892 SG CYS A 30 -6.995 4.240 1.335 1.00 0.00 S ATOM 0 H CYS A 30 -5.038 3.386 3.239 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.503 6.159 2.159 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.091 5.352 3.473 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.825 6.495 2.172 1.00 0.00 H new ATOM 897 N ASP A 31 -4.204 7.064 4.419 1.00 0.00 N ATOM 898 CA ASP A 31 -3.924 7.582 5.781 1.00 0.00 C ATOM 899 C ASP A 31 -5.157 8.318 6.280 1.00 0.00 C ATOM 900 O ASP A 31 -6.153 8.415 5.579 1.00 0.00 O ATOM 901 CB ASP A 31 -2.733 8.534 5.648 1.00 0.00 C ATOM 902 CG ASP A 31 -1.505 7.913 6.315 1.00 0.00 C ATOM 903 OD1 ASP A 31 -0.913 7.024 5.726 1.00 0.00 O ATOM 904 OD2 ASP A 31 -1.169 8.342 7.404 1.00 0.00 O ATOM 0 H ASP A 31 -3.919 7.680 3.657 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.692 6.788 6.491 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.528 8.731 4.596 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.966 9.492 6.112 1.00 0.00 H new ATOM 909 N HIS A 32 -5.116 8.817 7.481 1.00 0.00 N ATOM 910 CA HIS A 32 -6.301 9.538 8.041 1.00 0.00 C ATOM 911 C HIS A 32 -6.869 10.567 7.037 1.00 0.00 C ATOM 912 O HIS A 32 -8.011 10.939 7.138 1.00 0.00 O ATOM 913 CB HIS A 32 -5.827 10.218 9.339 1.00 0.00 C ATOM 914 CG HIS A 32 -4.680 11.162 9.077 1.00 0.00 C ATOM 915 ND1 HIS A 32 -3.330 10.952 8.910 1.00 0.00 N flip ATOM 916 CD2 HIS A 32 -4.861 12.535 9.001 1.00 0.00 C flip ATOM 917 CE1 HIS A 32 -2.687 12.173 8.740 1.00 0.00 C flip ATOM 918 NE2 HIS A 32 -3.654 13.091 8.804 1.00 0.00 N flip ATOM 0 H HIS A 32 -4.312 8.759 8.105 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.116 8.843 8.242 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.656 10.765 9.789 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -5.519 9.459 10.058 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -2.872 10.041 8.911 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.801 13.061 9.085 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -1.631 12.342 8.589 1.00 0.00 H new ATOM 926 N ARG A 33 -6.108 11.017 6.061 1.00 0.00 N ATOM 927 CA ARG A 33 -6.688 12.002 5.068 1.00 0.00 C ATOM 928 C ARG A 33 -7.514 11.287 3.970 1.00 0.00 C ATOM 929 O ARG A 33 -7.933 11.907 3.011 1.00 0.00 O ATOM 930 CB ARG A 33 -5.532 12.804 4.425 1.00 0.00 C ATOM 931 CG ARG A 33 -4.225 12.021 4.428 1.00 0.00 C ATOM 932 CD ARG A 33 -3.451 12.363 5.699 1.00 0.00 C ATOM 933 NE ARG A 33 -2.661 13.580 5.344 1.00 0.00 N ATOM 934 CZ ARG A 33 -2.807 14.682 6.032 1.00 0.00 C ATOM 935 NH1 ARG A 33 -3.715 15.558 5.685 1.00 0.00 N ATOM 936 NH2 ARG A 33 -2.043 14.897 7.067 1.00 0.00 N ATOM 0 H ARG A 33 -5.134 10.756 5.906 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.363 12.674 5.598 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.797 13.064 3.400 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.395 13.740 4.966 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.426 10.951 4.385 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.633 12.270 3.547 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.125 12.558 6.533 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.800 11.542 6.000 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.006 13.551 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.311 15.382 4.876 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.827 16.417 6.223 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -1.339 14.208 7.333 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.149 15.754 7.610 1.00 0.00 H new ATOM 950 N GLY A 34 -7.775 10.003 4.103 1.00 0.00 N ATOM 951 CA GLY A 34 -8.590 9.276 3.079 1.00 0.00 C ATOM 952 C GLY A 34 -7.892 9.189 1.710 1.00 0.00 C ATOM 953 O GLY A 34 -8.444 8.632 0.785 1.00 0.00 O ATOM 0 H GLY A 34 -7.455 9.428 4.882 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.801 8.269 3.438 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.549 9.780 2.961 1.00 0.00 H new ATOM 957 N PHE A 35 -6.698 9.702 1.564 1.00 0.00 N ATOM 958 CA PHE A 35 -5.992 9.602 0.242 1.00 0.00 C ATOM 959 C PHE A 35 -5.041 8.399 0.269 1.00 0.00 C ATOM 960 O PHE A 35 -4.727 7.897 1.328 1.00 0.00 O ATOM 961 CB PHE A 35 -5.186 10.901 0.116 1.00 0.00 C ATOM 962 CG PHE A 35 -5.976 11.921 -0.674 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.946 12.705 -0.037 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.737 12.078 -2.044 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.679 13.645 -0.772 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.469 13.017 -2.780 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.441 13.800 -2.143 1.00 0.00 C ATOM 0 H PHE A 35 -6.179 10.185 2.297 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.682 9.470 -0.591 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.955 11.294 1.106 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.235 10.703 -0.378 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.129 12.585 1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.987 11.474 -2.534 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.427 14.250 -0.282 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.285 13.138 -3.837 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.007 14.524 -2.710 1.00 0.00 H new ATOM 977 N TYR A 36 -4.537 7.965 -0.867 1.00 0.00 N ATOM 978 CA TYR A 36 -3.549 6.822 -0.862 1.00 0.00 C ATOM 979 C TYR A 36 -2.250 7.466 -0.414 1.00 0.00 C ATOM 980 O TYR A 36 -1.405 7.790 -1.219 1.00 0.00 O ATOM 981 CB TYR A 36 -3.401 6.283 -2.314 1.00 0.00 C ATOM 982 CG TYR A 36 -4.669 6.441 -3.136 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.903 7.632 -3.841 1.00 0.00 C ATOM 984 CD2 TYR A 36 -5.595 5.394 -3.212 1.00 0.00 C ATOM 985 CE1 TYR A 36 -6.058 7.772 -4.615 1.00 0.00 C ATOM 986 CE2 TYR A 36 -6.751 5.535 -3.988 1.00 0.00 C ATOM 987 CZ TYR A 36 -6.985 6.726 -4.687 1.00 0.00 C ATOM 988 OH TYR A 36 -8.125 6.870 -5.448 1.00 0.00 O ATOM 0 H TYR A 36 -4.760 8.344 -1.787 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.845 5.990 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.585 6.809 -2.810 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.126 5.229 -2.278 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.190 8.441 -3.785 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.417 4.476 -2.671 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.235 8.688 -5.158 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.463 4.725 -4.048 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.225 6.093 -6.037 1.00 0.00 H new ATOM 998 N ARG A 37 -2.148 7.793 0.844 1.00 0.00 N ATOM 999 CA ARG A 37 -0.965 8.577 1.261 1.00 0.00 C ATOM 1000 C ARG A 37 0.328 7.823 1.497 1.00 0.00 C ATOM 1001 O ARG A 37 1.347 8.158 0.947 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.391 9.257 2.564 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.189 9.993 3.163 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.622 10.830 4.374 1.00 0.00 C ATOM 1005 NE ARG A 37 0.171 10.291 5.518 1.00 0.00 N ATOM 1006 CZ ARG A 37 0.435 11.043 6.551 1.00 0.00 C ATOM 1007 NH1 ARG A 37 1.200 12.096 6.413 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -0.057 10.732 7.722 1.00 0.00 N ATOM 0 H ARG A 37 -2.814 7.557 1.579 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.709 9.241 0.435 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.204 9.958 2.374 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.767 8.516 3.269 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.573 9.274 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.262 10.639 2.410 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.417 11.889 4.216 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.692 10.736 4.557 1.00 0.00 H new ATOM 0 HE ARG A 37 0.509 9.329 5.492 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.589 12.328 5.499 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.407 12.685 7.220 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.644 9.905 7.825 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.147 11.317 8.532 1.00 0.00 H new ATOM 1022 N LYS A 38 0.328 6.916 2.402 1.00 0.00 N ATOM 1023 CA LYS A 38 1.622 6.264 2.762 1.00 0.00 C ATOM 1024 C LYS A 38 2.000 4.977 2.026 1.00 0.00 C ATOM 1025 O LYS A 38 3.139 4.818 1.627 1.00 0.00 O ATOM 1026 CB LYS A 38 1.463 5.966 4.244 1.00 0.00 C ATOM 1027 CG LYS A 38 2.763 5.397 4.782 1.00 0.00 C ATOM 1028 CD LYS A 38 2.808 5.596 6.293 1.00 0.00 C ATOM 1029 CE LYS A 38 1.765 4.688 6.960 1.00 0.00 C ATOM 1030 NZ LYS A 38 0.648 5.595 7.374 1.00 0.00 N ATOM 0 H LYS A 38 -0.492 6.589 2.913 1.00 0.00 H new ATOM 0 HA LYS A 38 2.432 6.936 2.479 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.200 6.876 4.784 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.650 5.257 4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.838 4.337 4.540 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.613 5.892 4.312 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.803 5.364 6.672 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.609 6.639 6.539 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.413 3.922 6.269 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.189 4.170 7.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.098 5.038 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.009 6.309 8.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.257 6.069 6.535 1.00 0.00 H new ATOM 1044 N ARG A 39 1.120 4.023 1.934 1.00 0.00 N ATOM 1045 CA ARG A 39 1.545 2.728 1.326 1.00 0.00 C ATOM 1046 C ARG A 39 0.820 2.317 0.048 1.00 0.00 C ATOM 1047 O ARG A 39 -0.361 2.528 -0.138 1.00 0.00 O ATOM 1048 CB ARG A 39 1.300 1.680 2.428 1.00 0.00 C ATOM 1049 CG ARG A 39 1.594 0.263 1.902 1.00 0.00 C ATOM 1050 CD ARG A 39 0.340 -0.327 1.224 1.00 0.00 C ATOM 1051 NE ARG A 39 -0.292 -1.221 2.240 1.00 0.00 N ATOM 1052 CZ ARG A 39 -1.585 -1.431 2.212 1.00 0.00 C ATOM 1053 NH1 ARG A 39 -2.094 -2.266 1.342 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -2.356 -0.814 3.063 1.00 0.00 N ATOM 0 H ARG A 39 0.149 4.076 2.243 1.00 0.00 H new ATOM 0 HA ARG A 39 2.582 2.821 1.004 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.934 1.894 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.267 1.740 2.771 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.419 0.296 1.191 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.908 -0.380 2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.346 0.462 0.917 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.607 -0.884 0.326 1.00 0.00 H new ATOM 0 HE ARG A 39 0.282 -1.668 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.484 -2.753 0.686 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.101 -2.429 1.320 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.952 -0.172 3.745 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.363 -0.973 3.047 1.00 0.00 H new ATOM 1068 N GLN A 40 1.541 1.593 -0.742 1.00 0.00 N ATOM 1069 CA GLN A 40 1.007 0.945 -1.959 1.00 0.00 C ATOM 1070 C GLN A 40 1.723 -0.405 -1.936 1.00 0.00 C ATOM 1071 O GLN A 40 2.938 -0.441 -1.844 1.00 0.00 O ATOM 1072 CB GLN A 40 1.440 1.814 -3.144 1.00 0.00 C ATOM 1073 CG GLN A 40 0.646 3.129 -3.148 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.701 2.919 -3.834 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.547 2.224 -3.327 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.943 3.501 -4.972 1.00 0.00 N ATOM 0 H GLN A 40 2.533 1.414 -0.585 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.075 0.826 -2.022 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.508 2.024 -3.081 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.276 1.277 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.493 3.475 -2.126 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.211 3.904 -3.666 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.232 4.090 -5.405 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.844 3.369 -5.431 1.00 0.00 H new ATOM 1085 N CYS A 41 1.035 -1.512 -1.910 1.00 0.00 N ATOM 1086 CA CYS A 41 1.800 -2.794 -1.780 1.00 0.00 C ATOM 1087 C CYS A 41 1.249 -3.903 -2.641 1.00 0.00 C ATOM 1088 O CYS A 41 0.060 -4.095 -2.707 1.00 0.00 O ATOM 1089 CB CYS A 41 1.627 -3.192 -0.317 1.00 0.00 C ATOM 1090 SG CYS A 41 2.743 -2.222 0.717 1.00 0.00 S ATOM 0 H CYS A 41 0.020 -1.592 -1.970 1.00 0.00 H new ATOM 0 HA CYS A 41 2.833 -2.647 -2.095 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.595 -3.029 -0.006 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.834 -4.255 -0.193 1.00 0.00 H new ATOM 1095 N ARG A 42 2.118 -4.684 -3.231 1.00 0.00 N ATOM 1096 CA ARG A 42 1.661 -5.849 -4.033 1.00 0.00 C ATOM 1097 C ARG A 42 1.377 -6.981 -3.052 1.00 0.00 C ATOM 1098 O ARG A 42 2.208 -7.296 -2.218 1.00 0.00 O ATOM 1099 CB ARG A 42 2.835 -6.208 -4.944 1.00 0.00 C ATOM 1100 CG ARG A 42 2.982 -5.147 -6.034 1.00 0.00 C ATOM 1101 CD ARG A 42 2.523 -5.730 -7.374 1.00 0.00 C ATOM 1102 NE ARG A 42 3.752 -5.807 -8.216 1.00 0.00 N ATOM 1103 CZ ARG A 42 3.822 -6.661 -9.208 1.00 0.00 C ATOM 1104 NH1 ARG A 42 2.816 -6.782 -10.039 1.00 0.00 N ATOM 1105 NH2 ARG A 42 4.885 -7.401 -9.353 1.00 0.00 N ATOM 0 H ARG A 42 3.130 -4.560 -3.189 1.00 0.00 H new ATOM 0 HA ARG A 42 0.766 -5.654 -4.624 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.754 -6.274 -4.361 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.672 -7.187 -5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.388 -4.268 -5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.020 -4.821 -6.103 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.076 -6.715 -7.241 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.767 -5.097 -7.839 1.00 0.00 H new ATOM 0 HE ARG A 42 4.542 -5.192 -8.019 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.980 -6.212 -9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 42 2.869 -7.446 -10.811 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.660 -7.315 -8.695 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.942 -8.066 -10.124 1.00 0.00 H new ATOM 1119 N SER A 43 0.210 -7.562 -3.119 1.00 0.00 N ATOM 1120 CA SER A 43 -0.148 -8.647 -2.162 1.00 0.00 C ATOM 1121 C SER A 43 -0.143 -10.011 -2.852 1.00 0.00 C ATOM 1122 O SER A 43 -0.861 -10.253 -3.823 1.00 0.00 O ATOM 1123 CB SER A 43 -1.548 -8.300 -1.668 1.00 0.00 C ATOM 1124 OG SER A 43 -1.564 -6.949 -1.205 1.00 0.00 O ATOM 0 H SER A 43 -0.514 -7.330 -3.799 1.00 0.00 H new ATOM 0 HA SER A 43 0.569 -8.714 -1.344 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.272 -8.429 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.840 -8.976 -0.864 1.00 0.00 H new ATOM 0 HG SER A 43 -2.463 -6.722 -0.888 1.00 0.00 H new ATOM 1251 N CYS A 52 6.235 -4.405 -0.768 1.00 0.00 N ATOM 1252 CA CYS A 52 5.613 -3.126 -0.310 1.00 0.00 C ATOM 1253 C CYS A 52 6.485 -1.931 -0.687 1.00 0.00 C ATOM 1254 O CYS A 52 7.690 -2.046 -0.820 1.00 0.00 O ATOM 1255 CB CYS A 52 5.528 -3.236 1.213 1.00 0.00 C ATOM 1256 SG CYS A 52 3.828 -3.610 1.694 1.00 0.00 S ATOM 0 HA CYS A 52 4.638 -2.974 -0.773 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.199 -4.017 1.570 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.851 -2.303 1.675 1.00 0.00 H new ATOM 1261 N TRP A 53 5.895 -0.776 -0.807 1.00 0.00 N ATOM 1262 CA TRP A 53 6.691 0.450 -1.114 1.00 0.00 C ATOM 1263 C TRP A 53 5.888 1.691 -0.708 1.00 0.00 C ATOM 1264 O TRP A 53 4.671 1.709 -0.793 1.00 0.00 O ATOM 1265 CB TRP A 53 7.011 0.404 -2.621 1.00 0.00 C ATOM 1266 CG TRP A 53 5.808 0.704 -3.465 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.406 1.941 -3.843 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.863 -0.233 -4.065 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.277 1.821 -4.635 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.898 0.503 -4.793 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.749 -1.634 -4.041 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.860 -0.133 -5.478 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.704 -2.275 -4.725 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.760 -1.525 -5.441 1.00 0.00 C ATOM 0 H TRP A 53 4.891 -0.625 -0.706 1.00 0.00 H new ATOM 0 HA TRP A 53 7.626 0.495 -0.555 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.799 1.123 -2.846 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.397 -0.582 -2.879 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.887 2.869 -3.571 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.785 2.611 -5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.470 -2.221 -3.492 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.139 0.449 -6.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.627 -3.352 -4.700 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.957 -2.024 -5.963 1.00 0.00 H new ATOM 1285 N CYS A 54 6.550 2.711 -0.228 1.00 0.00 N ATOM 1286 CA CYS A 54 5.819 3.935 0.216 1.00 0.00 C ATOM 1287 C CYS A 54 5.445 4.805 -0.985 1.00 0.00 C ATOM 1288 O CYS A 54 6.022 4.694 -2.057 1.00 0.00 O ATOM 1289 CB CYS A 54 6.775 4.673 1.147 1.00 0.00 C ATOM 1290 SG CYS A 54 7.149 3.625 2.575 1.00 0.00 S ATOM 0 H CYS A 54 7.564 2.750 -0.124 1.00 0.00 H new ATOM 0 HA CYS A 54 4.886 3.686 0.721 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.693 4.927 0.617 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.328 5.611 1.477 1.00 0.00 H new ATOM 0 HG CYS A 54 7.966 4.250 3.370 1.00 0.00 H new ATOM 1295 N VAL A 55 4.470 5.657 -0.814 1.00 0.00 N ATOM 1296 CA VAL A 55 4.009 6.533 -1.941 1.00 0.00 C ATOM 1297 C VAL A 55 3.562 7.893 -1.411 1.00 0.00 C ATOM 1298 O VAL A 55 3.449 8.085 -0.219 1.00 0.00 O ATOM 1299 CB VAL A 55 2.823 5.796 -2.565 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.336 4.579 -3.330 1.00 0.00 C ATOM 1301 CG2 VAL A 55 1.855 5.342 -1.468 1.00 0.00 C ATOM 0 H VAL A 55 3.967 5.788 0.063 1.00 0.00 H new ATOM 0 HA VAL A 55 4.805 6.716 -2.663 1.00 0.00 H new ATOM 0 HB VAL A 55 2.298 6.465 -3.247 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.495 4.049 -3.777 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.019 4.904 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.861 3.913 -2.645 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.013 4.818 -1.920 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.372 4.673 -0.780 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.490 6.212 -0.922 1.00 0.00 H new ATOM 1311 N ASP A 56 3.313 8.838 -2.285 1.00 0.00 N ATOM 1312 CA ASP A 56 2.855 10.179 -1.832 1.00 0.00 C ATOM 1313 C ASP A 56 1.327 10.168 -1.703 1.00 0.00 C ATOM 1314 O ASP A 56 0.684 9.170 -1.950 1.00 0.00 O ATOM 1315 CB ASP A 56 3.317 11.170 -2.912 1.00 0.00 C ATOM 1316 CG ASP A 56 2.354 11.157 -4.099 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.424 10.236 -4.895 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.567 12.080 -4.203 1.00 0.00 O ATOM 0 H ASP A 56 3.409 8.733 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 56 3.263 10.457 -0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.372 12.174 -2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.321 10.909 -3.248 1.00 0.00 H new ATOM 1323 N ARG A 57 0.759 11.272 -1.312 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.737 11.366 -1.137 1.00 0.00 C ATOM 1325 C ARG A 57 -1.506 10.815 -2.348 1.00 0.00 C ATOM 1326 O ARG A 57 -2.622 10.342 -2.211 1.00 0.00 O ATOM 1327 CB ARG A 57 -1.021 12.863 -0.958 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.632 13.630 -2.232 1.00 0.00 C ATOM 1329 CD ARG A 57 -0.092 15.019 -1.867 1.00 0.00 C ATOM 1330 NE ARG A 57 1.380 14.838 -1.730 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.183 15.276 -2.666 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.421 14.536 -3.720 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.734 16.456 -2.552 1.00 0.00 N ATOM 0 H ARG A 57 1.265 12.132 -1.100 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.067 10.767 -0.288 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.078 13.017 -0.740 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.460 13.248 -0.107 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.123 13.072 -2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.499 13.728 -2.886 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.329 15.750 -2.640 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -0.533 15.382 -0.939 1.00 0.00 H new ATOM 0 HE ARG A 57 1.762 14.373 -0.907 1.00 0.00 H new ATOM 0 HH11 ARG A 57 1.981 13.620 -3.810 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.046 14.875 -4.451 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.538 17.034 -1.735 1.00 0.00 H new ATOM 0 HH22 ARG A 57 3.360 16.799 -3.280 1.00 0.00 H new ATOM 1347 N MET A 58 -0.941 10.878 -3.523 1.00 0.00 N ATOM 1348 CA MET A 58 -1.663 10.357 -4.723 1.00 0.00 C ATOM 1349 C MET A 58 -1.516 8.835 -4.809 1.00 0.00 C ATOM 1350 O MET A 58 -2.300 8.164 -5.455 1.00 0.00 O ATOM 1351 CB MET A 58 -0.992 11.025 -5.919 1.00 0.00 C ATOM 1352 CG MET A 58 -1.171 12.538 -5.831 1.00 0.00 C ATOM 1353 SD MET A 58 -2.434 13.066 -7.018 1.00 0.00 S ATOM 1354 CE MET A 58 -3.725 11.879 -6.552 1.00 0.00 C ATOM 0 H MET A 58 -0.015 11.265 -3.706 1.00 0.00 H new ATOM 0 HA MET A 58 -2.730 10.574 -4.684 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.069 10.775 -5.939 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.425 10.651 -6.847 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.465 12.822 -4.821 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.226 13.040 -6.041 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.664 12.157 -7.030 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.434 10.880 -6.876 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.853 11.887 -5.470 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.528 8.290 -4.158 1.00 0.00 N ATOM 1365 CA GLY A 59 -0.336 6.814 -4.186 1.00 0.00 C ATOM 1366 C GLY A 59 0.764 6.434 -5.179 1.00 0.00 C ATOM 1367 O GLY A 59 0.826 5.304 -5.631 1.00 0.00 O ATOM 0 H GLY A 59 0.158 8.805 -3.606 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.074 6.457 -3.190 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.270 6.325 -4.464 1.00 0.00 H new ATOM 1371 N LYS A 60 1.639 7.341 -5.528 1.00 0.00 N ATOM 1372 CA LYS A 60 2.715 6.975 -6.480 1.00 0.00 C ATOM 1373 C LYS A 60 3.979 6.615 -5.695 1.00 0.00 C ATOM 1374 O LYS A 60 4.260 7.174 -4.652 1.00 0.00 O ATOM 1375 CB LYS A 60 2.906 8.207 -7.370 1.00 0.00 C ATOM 1376 CG LYS A 60 4.301 8.796 -7.181 1.00 0.00 C ATOM 1377 CD LYS A 60 4.455 9.983 -8.116 1.00 0.00 C ATOM 1378 CE LYS A 60 4.688 11.270 -7.315 1.00 0.00 C ATOM 1379 NZ LYS A 60 3.324 11.749 -6.959 1.00 0.00 N ATOM 0 H LYS A 60 1.652 8.306 -5.197 1.00 0.00 H new ATOM 0 HA LYS A 60 2.476 6.105 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.760 7.934 -8.415 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.153 8.957 -7.128 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.443 9.108 -6.146 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.061 8.045 -7.395 1.00 0.00 H new ATOM 0 HD2 LYS A 60 5.291 9.813 -8.794 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.561 10.087 -8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.285 11.078 -6.423 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.226 12.012 -7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.399 12.559 -6.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 2.822 12.041 -7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 2.797 10.982 -6.495 1.00 0.00 H new ATOM 1393 N SER A 61 4.726 5.677 -6.190 1.00 0.00 N ATOM 1394 CA SER A 61 5.967 5.228 -5.499 1.00 0.00 C ATOM 1395 C SER A 61 6.939 6.386 -5.303 1.00 0.00 C ATOM 1396 O SER A 61 7.340 7.047 -6.245 1.00 0.00 O ATOM 1397 CB SER A 61 6.570 4.170 -6.423 1.00 0.00 C ATOM 1398 OG SER A 61 5.518 3.430 -7.037 1.00 0.00 O ATOM 0 H SER A 61 4.528 5.189 -7.064 1.00 0.00 H new ATOM 0 HA SER A 61 5.756 4.837 -4.504 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.189 4.645 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 61 7.218 3.502 -5.856 1.00 0.00 H new ATOM 0 HG SER A 61 5.146 2.793 -6.392 1.00 0.00 H new ATOM 1404 N LEU A 62 7.324 6.615 -4.081 1.00 0.00 N ATOM 1405 CA LEU A 62 8.292 7.712 -3.779 1.00 0.00 C ATOM 1406 C LEU A 62 9.722 7.176 -3.932 1.00 0.00 C ATOM 1407 O LEU A 62 10.013 6.071 -3.501 1.00 0.00 O ATOM 1408 CB LEU A 62 8.017 8.117 -2.323 1.00 0.00 C ATOM 1409 CG LEU A 62 6.738 8.961 -2.247 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.326 9.131 -0.788 1.00 0.00 C ATOM 1411 CD2 LEU A 62 6.992 10.338 -2.858 1.00 0.00 C ATOM 0 H LEU A 62 7.008 6.086 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 62 8.183 8.564 -4.450 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.913 7.227 -1.703 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.861 8.683 -1.929 1.00 0.00 H new ATOM 0 HG LEU A 62 5.944 8.458 -2.799 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.417 9.731 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.142 8.152 -0.346 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.124 9.632 -0.240 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.081 10.934 -2.802 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.788 10.839 -2.308 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.288 10.224 -3.901 1.00 0.00 H new