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 12 GLN : amide:sc= 0.142 K(o=-0.83,f=-1.9) USER MOD Set 1.2: A 13 GLN : amide:sc= -0.972 X(o=-0.83,f=-0.88) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 1.09 K(o=3,f=-5.7!) USER MOD Set 2.2: A 36 TYR OH : rot 105:sc= 1.9 USER MOD Single : A 1 GLY N :NH3+ 147:sc= -0.84 (180deg=-1.01) USER MOD Single : A 9 SER OG : rot 118:sc= 1.18 USER MOD Single : A 15 GLN : amide:sc= -1.16 X(o=-1.2,f=-0.66) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot -14:sc= 0.935 USER MOD Single : A 26 TYR OH : rot 165:sc= -0.52 USER MOD Single : A 29 ASN : amide:sc= -0.656 X(o=-0.66,f=-0.75) USER MOD Single : A 32 HIS : no HD1:sc= -0.11 X(o=-0.11,f=-0.0081) USER MOD Single : A 38 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0285) USER MOD Single : A 40 GLN : amide:sc= -2.44! C(o=-2.4!,f=-6.1!) USER MOD Single : A 43 SER OG : rot 78:sc= 0.821 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl -168:sc= -1.71 (180deg=-2.04) USER MOD Single : A 60 LYS NZ :NH3+ -144:sc= -0.122 (180deg=-3.19!) USER MOD Single : A 61 SER OG : rot -74:sc= 0.0519 USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.612 10.097 -1.214 1.00 0.00 N ATOM 423 CA GLY A 1 -10.334 10.491 -1.884 1.00 0.00 C ATOM 424 C GLY A 1 -9.998 9.480 -2.985 1.00 0.00 C ATOM 425 O GLY A 1 -10.740 8.539 -3.211 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.575 10.366 -0.210 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.409 10.582 -1.674 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.742 9.068 -1.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.428 11.490 -2.310 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.526 10.531 -1.154 1.00 0.00 H new ATOM 429 N PRO A 2 -8.887 9.705 -3.650 1.00 0.00 N ATOM 430 CA PRO A 2 -8.455 8.804 -4.758 1.00 0.00 C ATOM 431 C PRO A 2 -8.124 7.400 -4.242 1.00 0.00 C ATOM 432 O PRO A 2 -8.348 6.412 -4.919 1.00 0.00 O ATOM 433 CB PRO A 2 -7.216 9.500 -5.324 1.00 0.00 C ATOM 434 CG PRO A 2 -6.710 10.354 -4.206 1.00 0.00 C ATOM 435 CD PRO A 2 -7.925 10.798 -3.434 1.00 0.00 C ATOM 0 HA PRO A 2 -9.233 8.654 -5.507 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.465 8.775 -5.639 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.465 10.101 -6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.026 9.795 -3.568 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.158 11.212 -4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.701 10.933 -2.376 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.309 11.749 -3.802 1.00 0.00 H new ATOM 443 N CYS A 3 -7.603 7.297 -3.056 1.00 0.00 N ATOM 444 CA CYS A 3 -7.274 5.954 -2.498 1.00 0.00 C ATOM 445 C CYS A 3 -8.540 5.307 -1.923 1.00 0.00 C ATOM 446 O CYS A 3 -8.715 4.108 -2.003 1.00 0.00 O ATOM 447 CB CYS A 3 -6.239 6.210 -1.403 1.00 0.00 C ATOM 448 SG CYS A 3 -5.646 4.637 -0.739 1.00 0.00 S ATOM 0 H CYS A 3 -7.389 8.085 -2.445 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.885 5.272 -3.254 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.404 6.783 -1.806 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.680 6.808 -0.606 1.00 0.00 H new ATOM 453 N ARG A 4 -9.430 6.089 -1.350 1.00 0.00 N ATOM 454 CA ARG A 4 -10.683 5.509 -0.770 1.00 0.00 C ATOM 455 C ARG A 4 -11.426 4.667 -1.818 1.00 0.00 C ATOM 456 O ARG A 4 -11.851 3.565 -1.535 1.00 0.00 O ATOM 457 CB ARG A 4 -11.532 6.720 -0.361 1.00 0.00 C ATOM 458 CG ARG A 4 -12.566 6.299 0.687 1.00 0.00 C ATOM 459 CD ARG A 4 -13.825 5.794 -0.014 1.00 0.00 C ATOM 460 NE ARG A 4 -13.843 4.319 0.201 1.00 0.00 N ATOM 461 CZ ARG A 4 -14.860 3.768 0.808 1.00 0.00 C ATOM 462 NH1 ARG A 4 -16.018 3.694 0.201 1.00 0.00 N ATOM 463 NH2 ARG A 4 -14.712 3.296 2.018 1.00 0.00 N ATOM 0 H ARG A 4 -9.341 7.101 -1.260 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.473 4.850 0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.892 7.505 0.041 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -12.035 7.135 -1.235 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.154 5.518 1.326 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.810 7.143 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.718 6.261 0.401 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.804 6.034 -1.077 1.00 0.00 H new ATOM 0 HE ARG A 4 -13.066 3.744 -0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -16.124 4.066 -0.743 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -16.814 3.264 0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.806 3.359 2.483 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.502 2.865 2.497 1.00 0.00 H new ATOM 477 N ARG A 5 -11.581 5.169 -3.020 1.00 0.00 N ATOM 478 CA ARG A 5 -12.298 4.377 -4.074 1.00 0.00 C ATOM 479 C ARG A 5 -11.450 3.170 -4.492 1.00 0.00 C ATOM 480 O ARG A 5 -11.962 2.102 -4.776 1.00 0.00 O ATOM 481 CB ARG A 5 -12.526 5.333 -5.255 1.00 0.00 C ATOM 482 CG ARG A 5 -11.189 5.819 -5.835 1.00 0.00 C ATOM 483 CD ARG A 5 -11.436 6.488 -7.189 1.00 0.00 C ATOM 484 NE ARG A 5 -10.880 7.866 -7.058 1.00 0.00 N ATOM 485 CZ ARG A 5 -11.649 8.858 -6.691 1.00 0.00 C ATOM 486 NH1 ARG A 5 -11.916 9.056 -5.422 1.00 0.00 N ATOM 487 NH2 ARG A 5 -12.144 9.652 -7.598 1.00 0.00 N ATOM 0 H ARG A 5 -11.246 6.085 -3.317 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.248 3.987 -3.709 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.101 4.828 -6.031 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.117 6.188 -4.927 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -10.717 6.523 -5.150 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.504 4.979 -5.951 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -10.944 5.941 -7.993 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.500 6.514 -7.426 1.00 0.00 H new ATOM 0 HE ARG A 5 -9.894 8.036 -7.256 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.523 8.434 -4.715 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.517 9.832 -5.142 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.930 9.497 -8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -12.745 10.429 -7.323 1.00 0.00 H new ATOM 501 N HIS A 6 -10.156 3.334 -4.525 1.00 0.00 N ATOM 502 CA HIS A 6 -9.257 2.209 -4.912 1.00 0.00 C ATOM 503 C HIS A 6 -9.240 1.154 -3.809 1.00 0.00 C ATOM 504 O HIS A 6 -9.329 -0.032 -4.069 1.00 0.00 O ATOM 505 CB HIS A 6 -7.866 2.843 -5.066 1.00 0.00 C ATOM 506 CG HIS A 6 -7.092 2.111 -6.126 1.00 0.00 C ATOM 507 ND1 HIS A 6 -6.121 2.737 -6.888 1.00 0.00 N ATOM 508 CD2 HIS A 6 -7.140 0.813 -6.566 1.00 0.00 C ATOM 509 CE1 HIS A 6 -5.628 1.823 -7.744 1.00 0.00 C ATOM 510 NE2 HIS A 6 -6.216 0.633 -7.590 1.00 0.00 N ATOM 0 H HIS A 6 -9.679 4.207 -4.299 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.583 1.715 -5.827 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.963 3.895 -5.334 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.330 2.803 -4.118 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -5.832 3.712 -6.814 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -7.795 0.048 -6.177 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -4.852 2.026 -8.467 1.00 0.00 H new ATOM 518 N LEU A 7 -9.130 1.579 -2.581 1.00 0.00 N ATOM 519 CA LEU A 7 -9.104 0.624 -1.453 1.00 0.00 C ATOM 520 C LEU A 7 -10.469 -0.055 -1.311 1.00 0.00 C ATOM 521 O LEU A 7 -10.554 -1.261 -1.231 1.00 0.00 O ATOM 522 CB LEU A 7 -8.781 1.498 -0.233 1.00 0.00 C ATOM 523 CG LEU A 7 -9.322 0.849 1.035 1.00 0.00 C ATOM 524 CD1 LEU A 7 -8.539 -0.433 1.320 1.00 0.00 C ATOM 525 CD2 LEU A 7 -9.179 1.820 2.208 1.00 0.00 C ATOM 0 H LEU A 7 -9.056 2.561 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.378 -0.178 -1.582 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.703 1.635 -0.149 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.219 2.488 -0.359 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.376 0.605 0.902 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -8.923 -0.900 2.227 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -8.650 -1.121 0.482 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -7.484 -0.193 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -9.566 1.355 3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.127 2.068 2.348 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -9.742 2.730 1.998 1.00 0.00 H new ATOM 537 N ASP A 8 -11.529 0.711 -1.275 1.00 0.00 N ATOM 538 CA ASP A 8 -12.896 0.108 -1.119 1.00 0.00 C ATOM 539 C ASP A 8 -13.172 -0.916 -2.222 1.00 0.00 C ATOM 540 O ASP A 8 -13.627 -2.013 -1.960 1.00 0.00 O ATOM 541 CB ASP A 8 -13.872 1.284 -1.222 1.00 0.00 C ATOM 542 CG ASP A 8 -15.308 0.765 -1.184 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.805 0.373 -2.225 1.00 0.00 O ATOM 544 OD2 ASP A 8 -15.891 0.767 -0.117 1.00 0.00 O ATOM 0 H ASP A 8 -11.512 1.728 -1.347 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.994 -0.423 -0.172 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.705 1.981 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -13.698 1.834 -2.147 1.00 0.00 H new ATOM 549 N SER A 9 -12.894 -0.567 -3.447 1.00 0.00 N ATOM 550 CA SER A 9 -13.138 -1.519 -4.574 1.00 0.00 C ATOM 551 C SER A 9 -12.306 -2.788 -4.369 1.00 0.00 C ATOM 552 O SER A 9 -12.825 -3.892 -4.393 1.00 0.00 O ATOM 553 CB SER A 9 -12.694 -0.780 -5.846 1.00 0.00 C ATOM 554 OG SER A 9 -13.414 0.451 -5.958 1.00 0.00 O ATOM 0 H SER A 9 -12.508 0.337 -3.720 1.00 0.00 H new ATOM 0 HA SER A 9 -14.183 -1.822 -4.637 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.622 -0.585 -5.811 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.876 -1.401 -6.723 1.00 0.00 H new ATOM 0 HG SER A 9 -12.785 1.202 -5.925 1.00 0.00 H new ATOM 560 N VAL A 10 -11.023 -2.647 -4.150 1.00 0.00 N ATOM 561 CA VAL A 10 -10.176 -3.856 -3.930 1.00 0.00 C ATOM 562 C VAL A 10 -10.560 -4.509 -2.601 1.00 0.00 C ATOM 563 O VAL A 10 -10.742 -5.702 -2.527 1.00 0.00 O ATOM 564 CB VAL A 10 -8.721 -3.354 -3.890 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.773 -4.528 -3.613 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.355 -2.730 -5.242 1.00 0.00 C ATOM 0 H VAL A 10 -10.530 -1.755 -4.114 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.309 -4.601 -4.715 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.625 -2.610 -3.099 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.745 -4.167 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.024 -4.980 -2.654 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.875 -5.272 -4.403 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.325 -2.375 -5.212 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.458 -3.478 -6.028 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.021 -1.892 -5.448 1.00 0.00 H new ATOM 576 N LEU A 11 -10.688 -3.733 -1.555 1.00 0.00 N ATOM 577 CA LEU A 11 -11.055 -4.309 -0.225 1.00 0.00 C ATOM 578 C LEU A 11 -12.387 -5.047 -0.300 1.00 0.00 C ATOM 579 O LEU A 11 -12.516 -6.147 0.211 1.00 0.00 O ATOM 580 CB LEU A 11 -11.156 -3.113 0.730 1.00 0.00 C ATOM 581 CG LEU A 11 -11.457 -3.602 2.153 1.00 0.00 C ATOM 582 CD1 LEU A 11 -10.380 -4.593 2.602 1.00 0.00 C ATOM 583 CD2 LEU A 11 -11.470 -2.405 3.105 1.00 0.00 C ATOM 0 H LEU A 11 -10.554 -2.722 -1.564 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.315 -5.035 0.112 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.223 -2.549 0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.942 -2.435 0.396 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.428 -4.097 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.600 -4.936 3.613 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.366 -5.447 1.924 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.406 -4.103 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.684 -2.748 4.117 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.497 -1.914 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -12.239 -1.699 2.791 1.00 0.00 H new ATOM 595 N GLN A 12 -13.383 -4.466 -0.918 1.00 0.00 N ATOM 596 CA GLN A 12 -14.698 -5.169 -0.987 1.00 0.00 C ATOM 597 C GLN A 12 -14.554 -6.472 -1.787 1.00 0.00 C ATOM 598 O GLN A 12 -15.047 -7.507 -1.385 1.00 0.00 O ATOM 599 CB GLN A 12 -15.680 -4.175 -1.640 1.00 0.00 C ATOM 600 CG GLN A 12 -15.800 -4.430 -3.143 1.00 0.00 C ATOM 601 CD GLN A 12 -16.839 -3.482 -3.749 1.00 0.00 C ATOM 602 OE1 GLN A 12 -16.549 -2.781 -4.702 1.00 0.00 O ATOM 603 NE2 GLN A 12 -18.046 -3.440 -3.257 1.00 0.00 N ATOM 0 H GLN A 12 -13.345 -3.552 -1.370 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.068 -5.461 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.660 -4.267 -1.173 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.339 -3.154 -1.467 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.834 -4.281 -3.625 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -16.090 -5.465 -3.323 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.292 -4.026 -2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.744 -2.821 -3.670 1.00 0.00 H new ATOM 612 N GLN A 13 -13.880 -6.439 -2.910 1.00 0.00 N ATOM 613 CA GLN A 13 -13.704 -7.689 -3.707 1.00 0.00 C ATOM 614 C GLN A 13 -12.655 -8.612 -3.069 1.00 0.00 C ATOM 615 O GLN A 13 -12.874 -9.798 -2.923 1.00 0.00 O ATOM 616 CB GLN A 13 -13.246 -7.230 -5.097 1.00 0.00 C ATOM 617 CG GLN A 13 -14.400 -7.369 -6.086 1.00 0.00 C ATOM 618 CD GLN A 13 -15.405 -6.238 -5.867 1.00 0.00 C ATOM 619 OE1 GLN A 13 -16.552 -6.483 -5.545 1.00 0.00 O ATOM 620 NE2 GLN A 13 -15.026 -5.000 -6.015 1.00 0.00 N ATOM 0 H GLN A 13 -13.447 -5.605 -3.306 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.629 -8.263 -3.753 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.910 -6.194 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.396 -7.828 -5.427 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.022 -7.339 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.890 -8.334 -5.955 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.065 -4.790 -6.285 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -15.690 -4.241 -5.861 1.00 0.00 H new ATOM 629 N LEU A 14 -11.504 -8.081 -2.724 1.00 0.00 N ATOM 630 CA LEU A 14 -10.414 -8.932 -2.144 1.00 0.00 C ATOM 631 C LEU A 14 -10.838 -9.637 -0.854 1.00 0.00 C ATOM 632 O LEU A 14 -10.385 -10.726 -0.589 1.00 0.00 O ATOM 633 CB LEU A 14 -9.196 -8.015 -1.921 1.00 0.00 C ATOM 634 CG LEU A 14 -9.188 -7.458 -0.498 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.529 -8.464 0.450 1.00 0.00 C ATOM 636 CD2 LEU A 14 -8.397 -6.153 -0.466 1.00 0.00 C ATOM 0 H LEU A 14 -11.272 -7.092 -2.820 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.169 -9.739 -2.835 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.277 -8.573 -2.103 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.218 -7.194 -2.637 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.215 -7.277 -0.181 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.526 -8.061 1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -9.088 -9.400 0.433 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.503 -8.648 0.130 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -8.391 -5.756 0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.373 -6.340 -0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.861 -5.430 -1.136 1.00 0.00 H new ATOM 648 N GLN A 15 -11.680 -9.060 -0.035 1.00 0.00 N ATOM 649 CA GLN A 15 -12.047 -9.792 1.224 1.00 0.00 C ATOM 650 C GLN A 15 -12.624 -11.162 0.881 1.00 0.00 C ATOM 651 O GLN A 15 -12.485 -12.113 1.629 1.00 0.00 O ATOM 652 CB GLN A 15 -13.066 -8.923 1.979 1.00 0.00 C ATOM 653 CG GLN A 15 -14.284 -8.631 1.096 1.00 0.00 C ATOM 654 CD GLN A 15 -15.139 -7.541 1.747 1.00 0.00 C ATOM 655 OE1 GLN A 15 -16.321 -7.727 1.961 1.00 0.00 O ATOM 656 NE2 GLN A 15 -14.596 -6.403 2.074 1.00 0.00 N ATOM 0 H GLN A 15 -12.117 -8.149 -0.171 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.172 -9.962 1.852 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.383 -9.432 2.889 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.598 -7.987 2.284 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.960 -8.311 0.106 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.874 -9.538 0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.605 -6.241 1.897 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.162 -5.674 2.507 1.00 0.00 H new ATOM 665 N THR A 16 -13.230 -11.273 -0.257 1.00 0.00 N ATOM 666 CA THR A 16 -13.779 -12.578 -0.691 1.00 0.00 C ATOM 667 C THR A 16 -12.874 -13.137 -1.802 1.00 0.00 C ATOM 668 O THR A 16 -12.637 -14.328 -1.899 1.00 0.00 O ATOM 669 CB THR A 16 -15.184 -12.239 -1.220 1.00 0.00 C ATOM 670 OG1 THR A 16 -16.165 -12.711 -0.305 1.00 0.00 O ATOM 671 CG2 THR A 16 -15.417 -12.876 -2.593 1.00 0.00 C ATOM 0 H THR A 16 -13.371 -10.506 -0.915 1.00 0.00 H new ATOM 0 HA THR A 16 -13.826 -13.330 0.097 1.00 0.00 H new ATOM 0 HB THR A 16 -15.263 -11.157 -1.321 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.059 -12.493 -0.642 1.00 0.00 H new ATOM 0 HG21 THR A 16 -16.416 -12.623 -2.947 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.676 -12.500 -3.299 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.324 -13.959 -2.512 1.00 0.00 H new ATOM 679 N GLU A 17 -12.387 -12.271 -2.653 1.00 0.00 N ATOM 680 CA GLU A 17 -11.515 -12.716 -3.788 1.00 0.00 C ATOM 681 C GLU A 17 -10.023 -12.570 -3.471 1.00 0.00 C ATOM 682 O GLU A 17 -9.209 -12.525 -4.379 1.00 0.00 O ATOM 683 CB GLU A 17 -11.899 -11.811 -4.970 1.00 0.00 C ATOM 684 CG GLU A 17 -13.385 -11.986 -5.311 1.00 0.00 C ATOM 685 CD GLU A 17 -13.561 -12.003 -6.825 1.00 0.00 C ATOM 686 OE1 GLU A 17 -13.049 -12.911 -7.452 1.00 0.00 O ATOM 687 OE2 GLU A 17 -14.205 -11.110 -7.339 1.00 0.00 O ATOM 0 H GLU A 17 -12.556 -11.266 -2.612 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.668 -13.774 -3.999 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.696 -10.769 -4.721 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.288 -12.056 -5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.761 -12.914 -4.880 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.967 -11.174 -4.876 1.00 0.00 H new ATOM 789 N THR A 24 -0.809 -11.300 -6.142 1.00 0.00 N ATOM 790 CA THR A 24 -0.384 -9.891 -6.432 1.00 0.00 C ATOM 791 C THR A 24 -1.529 -8.900 -6.245 1.00 0.00 C ATOM 792 O THR A 24 -1.695 -7.970 -7.018 1.00 0.00 O ATOM 793 CB THR A 24 0.134 -9.850 -7.857 1.00 0.00 C ATOM 794 OG1 THR A 24 -0.215 -11.034 -8.570 1.00 0.00 O ATOM 795 CG2 THR A 24 1.638 -9.718 -7.770 1.00 0.00 C ATOM 0 HA THR A 24 0.395 -9.595 -5.730 1.00 0.00 H new ATOM 0 HB THR A 24 -0.309 -9.013 -8.397 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.517 -11.719 -7.938 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.059 -9.684 -8.775 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.893 -8.801 -7.239 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.048 -10.574 -7.233 1.00 0.00 H new ATOM 803 N LEU A 25 -2.324 -9.091 -5.244 1.00 0.00 N ATOM 804 CA LEU A 25 -3.474 -8.168 -5.025 1.00 0.00 C ATOM 805 C LEU A 25 -2.951 -6.859 -4.423 1.00 0.00 C ATOM 806 O LEU A 25 -2.285 -6.838 -3.401 1.00 0.00 O ATOM 807 CB LEU A 25 -4.433 -8.906 -4.066 1.00 0.00 C ATOM 808 CG LEU A 25 -3.843 -8.993 -2.648 1.00 0.00 C ATOM 809 CD1 LEU A 25 -4.628 -8.073 -1.713 1.00 0.00 C ATOM 810 CD2 LEU A 25 -3.940 -10.432 -2.127 1.00 0.00 C ATOM 0 H LEU A 25 -2.234 -9.845 -4.563 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.996 -7.910 -5.946 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.390 -8.386 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.628 -9.910 -4.444 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.797 -8.688 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.211 -8.134 -0.708 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.561 -7.046 -2.072 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.673 -8.382 -1.691 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -3.520 -10.484 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.985 -10.739 -2.100 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.384 -11.097 -2.788 1.00 0.00 H new ATOM 822 N TYR A 26 -3.206 -5.773 -5.092 1.00 0.00 N ATOM 823 CA TYR A 26 -2.694 -4.451 -4.621 1.00 0.00 C ATOM 824 C TYR A 26 -3.671 -3.799 -3.644 1.00 0.00 C ATOM 825 O TYR A 26 -4.806 -3.516 -3.979 1.00 0.00 O ATOM 826 CB TYR A 26 -2.541 -3.597 -5.886 1.00 0.00 C ATOM 827 CG TYR A 26 -2.374 -2.137 -5.520 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.195 -1.684 -4.908 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.401 -1.232 -5.808 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.052 -0.330 -4.588 1.00 0.00 C ATOM 831 CE2 TYR A 26 -3.258 0.120 -5.485 1.00 0.00 C ATOM 832 CZ TYR A 26 -2.082 0.573 -4.878 1.00 0.00 C ATOM 833 OH TYR A 26 -1.941 1.907 -4.565 1.00 0.00 O ATOM 0 H TYR A 26 -3.752 -5.740 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.750 -4.556 -4.086 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.678 -3.936 -6.459 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.416 -3.721 -6.524 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.400 -2.380 -4.685 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.307 -1.579 -6.282 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.146 0.020 -4.116 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.055 0.815 -5.704 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.624 2.428 -5.037 1.00 0.00 H new ATOM 843 N VAL A 27 -3.228 -3.529 -2.450 1.00 0.00 N ATOM 844 CA VAL A 27 -4.108 -2.866 -1.454 1.00 0.00 C ATOM 845 C VAL A 27 -3.527 -1.491 -1.101 1.00 0.00 C ATOM 846 O VAL A 27 -2.488 -1.402 -0.463 1.00 0.00 O ATOM 847 CB VAL A 27 -4.122 -3.800 -0.240 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.676 -3.063 0.984 1.00 0.00 C ATOM 849 CG2 VAL A 27 -5.016 -5.007 -0.541 1.00 0.00 C ATOM 0 H VAL A 27 -2.287 -3.741 -2.120 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.119 -2.698 -1.824 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.104 -4.129 -0.033 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.682 -3.736 1.842 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.048 -2.200 1.204 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.693 -2.729 0.778 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.029 -5.674 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.030 -4.666 -0.751 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.627 -5.541 -1.408 1.00 0.00 H new ATOM 859 N PRO A 28 -4.207 -0.459 -1.538 1.00 0.00 N ATOM 860 CA PRO A 28 -3.751 0.921 -1.269 1.00 0.00 C ATOM 861 C PRO A 28 -4.175 1.358 0.141 1.00 0.00 C ATOM 862 O PRO A 28 -5.308 1.161 0.545 1.00 0.00 O ATOM 863 CB PRO A 28 -4.474 1.744 -2.336 1.00 0.00 C ATOM 864 CG PRO A 28 -5.693 0.952 -2.705 1.00 0.00 C ATOM 865 CD PRO A 28 -5.446 -0.488 -2.322 1.00 0.00 C ATOM 0 HA PRO A 28 -2.668 1.035 -1.308 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.747 2.727 -1.953 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.835 1.906 -3.204 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.570 1.339 -2.187 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.892 1.034 -3.774 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.274 -0.890 -1.738 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.341 -1.120 -3.204 1.00 0.00 H new ATOM 873 N ASN A 29 -3.285 1.958 0.884 1.00 0.00 N ATOM 874 CA ASN A 29 -3.648 2.420 2.258 1.00 0.00 C ATOM 875 C ASN A 29 -4.119 3.871 2.182 1.00 0.00 C ATOM 876 O ASN A 29 -3.430 4.716 1.641 1.00 0.00 O ATOM 877 CB ASN A 29 -2.357 2.327 3.063 1.00 0.00 C ATOM 878 CG ASN A 29 -2.652 2.642 4.523 1.00 0.00 C ATOM 879 OD1 ASN A 29 -2.701 1.752 5.341 1.00 0.00 O ATOM 880 ND2 ASN A 29 -2.846 3.876 4.891 1.00 0.00 N ATOM 0 H ASN A 29 -2.324 2.149 0.601 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.445 1.828 2.708 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.930 1.328 2.973 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.618 3.026 2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.039 4.092 5.869 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.805 4.626 4.201 1.00 0.00 H new ATOM 887 N CYS A 30 -5.281 4.178 2.699 1.00 0.00 N ATOM 888 CA CYS A 30 -5.768 5.588 2.614 1.00 0.00 C ATOM 889 C CYS A 30 -6.091 6.142 3.996 1.00 0.00 C ATOM 890 O CYS A 30 -6.687 5.480 4.824 1.00 0.00 O ATOM 891 CB CYS A 30 -7.060 5.535 1.787 1.00 0.00 C ATOM 892 SG CYS A 30 -7.030 4.133 0.638 1.00 0.00 S ATOM 0 H CYS A 30 -5.906 3.524 3.170 1.00 0.00 H new ATOM 0 HA CYS A 30 -5.008 6.230 2.170 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.920 5.448 2.452 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.180 6.465 1.231 1.00 0.00 H new ATOM 897 N ASP A 31 -5.732 7.368 4.227 1.00 0.00 N ATOM 898 CA ASP A 31 -6.040 8.014 5.527 1.00 0.00 C ATOM 899 C ASP A 31 -7.404 8.727 5.414 1.00 0.00 C ATOM 900 O ASP A 31 -8.029 8.705 4.369 1.00 0.00 O ATOM 901 CB ASP A 31 -4.864 8.972 5.789 1.00 0.00 C ATOM 902 CG ASP A 31 -5.260 10.414 5.513 1.00 0.00 C ATOM 903 OD1 ASP A 31 -5.193 10.811 4.364 1.00 0.00 O ATOM 904 OD2 ASP A 31 -5.612 11.097 6.456 1.00 0.00 O ATOM 0 H ASP A 31 -5.232 7.958 3.562 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.134 7.319 6.361 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -4.535 8.874 6.823 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.019 8.697 5.158 1.00 0.00 H new ATOM 909 N HIS A 32 -7.880 9.314 6.483 1.00 0.00 N ATOM 910 CA HIS A 32 -9.227 9.987 6.470 1.00 0.00 C ATOM 911 C HIS A 32 -9.437 10.907 5.245 1.00 0.00 C ATOM 912 O HIS A 32 -10.564 11.172 4.869 1.00 0.00 O ATOM 913 CB HIS A 32 -9.270 10.825 7.755 1.00 0.00 C ATOM 914 CG HIS A 32 -10.705 11.057 8.152 1.00 0.00 C ATOM 915 ND1 HIS A 32 -11.159 12.284 8.622 1.00 0.00 N ATOM 916 CD2 HIS A 32 -11.806 10.234 8.139 1.00 0.00 C ATOM 917 CE1 HIS A 32 -12.478 12.161 8.864 1.00 0.00 C ATOM 918 NE2 HIS A 32 -12.923 10.936 8.589 1.00 0.00 N ATOM 0 H HIS A 32 -7.391 9.359 7.377 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.016 9.237 6.412 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.738 10.311 8.556 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.766 11.778 7.598 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -11.806 9.200 7.827 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -13.101 12.961 9.237 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -13.876 10.587 8.687 1.00 0.00 H new ATOM 926 N ARG A 33 -8.397 11.381 4.602 1.00 0.00 N ATOM 927 CA ARG A 33 -8.613 12.260 3.391 1.00 0.00 C ATOM 928 C ARG A 33 -8.795 11.386 2.143 1.00 0.00 C ATOM 929 O ARG A 33 -8.874 11.875 1.032 1.00 0.00 O ATOM 930 CB ARG A 33 -7.376 13.164 3.242 1.00 0.00 C ATOM 931 CG ARG A 33 -6.730 13.414 4.605 1.00 0.00 C ATOM 932 CD ARG A 33 -7.745 14.019 5.588 1.00 0.00 C ATOM 933 NE ARG A 33 -7.966 15.422 5.136 1.00 0.00 N ATOM 934 CZ ARG A 33 -8.699 16.225 5.859 1.00 0.00 C ATOM 935 NH1 ARG A 33 -9.998 16.248 5.687 1.00 0.00 N ATOM 936 NH2 ARG A 33 -8.127 16.989 6.759 1.00 0.00 N ATOM 0 H ARG A 33 -7.423 11.207 4.850 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.509 12.870 3.509 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.655 12.697 2.571 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.664 14.113 2.790 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.343 12.477 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.881 14.088 4.492 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.678 13.455 5.582 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -7.363 13.993 6.609 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.547 15.753 4.267 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -10.431 15.641 4.991 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.576 16.873 6.249 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.116 16.953 6.890 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.693 17.619 7.328 1.00 0.00 H new ATOM 950 N GLY A 34 -8.880 10.097 2.325 1.00 0.00 N ATOM 951 CA GLY A 34 -9.083 9.164 1.175 1.00 0.00 C ATOM 952 C GLY A 34 -7.877 9.108 0.231 1.00 0.00 C ATOM 953 O GLY A 34 -7.912 8.393 -0.748 1.00 0.00 O ATOM 0 H GLY A 34 -8.817 9.642 3.235 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.285 8.163 1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.964 9.475 0.613 1.00 0.00 H new ATOM 957 N PHE A 35 -6.814 9.818 0.495 1.00 0.00 N ATOM 958 CA PHE A 35 -5.629 9.738 -0.418 1.00 0.00 C ATOM 959 C PHE A 35 -4.798 8.499 -0.059 1.00 0.00 C ATOM 960 O PHE A 35 -5.015 7.888 0.970 1.00 0.00 O ATOM 961 CB PHE A 35 -4.826 11.008 -0.143 1.00 0.00 C ATOM 962 CG PHE A 35 -5.160 12.054 -1.182 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.373 12.751 -1.108 1.00 0.00 C ATOM 964 CD2 PHE A 35 -4.256 12.334 -2.215 1.00 0.00 C ATOM 965 CE1 PHE A 35 -6.678 13.729 -2.061 1.00 0.00 C ATOM 966 CE2 PHE A 35 -4.563 13.312 -3.170 1.00 0.00 C ATOM 967 CZ PHE A 35 -5.775 14.007 -3.091 1.00 0.00 C ATOM 0 H PHE A 35 -6.711 10.445 1.293 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.912 9.659 -1.468 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.054 11.385 0.854 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.759 10.787 -0.164 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.073 12.533 -0.315 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.322 11.796 -2.275 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.611 14.269 -2.001 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -3.866 13.529 -3.966 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.013 14.760 -3.828 1.00 0.00 H new ATOM 977 N TYR A 36 -3.823 8.145 -0.862 1.00 0.00 N ATOM 978 CA TYR A 36 -2.959 6.970 -0.504 1.00 0.00 C ATOM 979 C TYR A 36 -1.925 7.541 0.444 1.00 0.00 C ATOM 980 O TYR A 36 -0.946 8.088 -0.004 1.00 0.00 O ATOM 981 CB TYR A 36 -2.272 6.500 -1.802 1.00 0.00 C ATOM 982 CG TYR A 36 -3.276 6.186 -2.892 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.800 4.894 -3.012 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.658 7.181 -3.803 1.00 0.00 C ATOM 985 CE1 TYR A 36 -4.707 4.595 -4.036 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.568 6.885 -4.825 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.092 5.590 -4.943 1.00 0.00 C ATOM 988 OH TYR A 36 -5.983 5.291 -5.956 1.00 0.00 O ATOM 0 H TYR A 36 -3.588 8.610 -1.739 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.500 6.134 -0.060 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.588 7.273 -2.151 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.672 5.614 -1.595 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.504 4.126 -2.313 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.250 8.177 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.110 3.597 -4.126 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.866 7.654 -5.522 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.860 5.673 -5.744 1.00 0.00 H new ATOM 998 N ARG A 37 -2.162 7.547 1.730 1.00 0.00 N ATOM 999 CA ARG A 37 -1.173 8.260 2.580 1.00 0.00 C ATOM 1000 C ARG A 37 0.143 7.525 2.833 1.00 0.00 C ATOM 1001 O ARG A 37 1.187 7.995 2.437 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.898 8.505 3.904 1.00 0.00 C ATOM 1003 CG ARG A 37 -1.074 9.480 4.750 1.00 0.00 C ATOM 1004 CD ARG A 37 -1.969 10.602 5.289 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.567 10.758 6.718 1.00 0.00 N ATOM 1006 CZ ARG A 37 -2.464 10.638 7.661 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -3.173 11.677 8.027 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -2.657 9.478 8.227 1.00 0.00 N ATOM 0 H ARG A 37 -2.953 7.114 2.206 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.858 9.165 2.061 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.892 8.913 3.719 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.034 7.565 4.438 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -0.607 8.948 5.579 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.269 9.904 4.149 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.821 11.528 4.733 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.024 10.343 5.201 1.00 0.00 H new ATOM 0 HE ARG A 37 -0.596 10.958 6.958 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -3.025 12.580 7.576 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -3.873 11.583 8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -2.109 8.670 7.933 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -3.356 9.380 8.963 1.00 0.00 H new ATOM 1022 N LYS A 38 0.131 6.425 3.512 1.00 0.00 N ATOM 1023 CA LYS A 38 1.441 5.740 3.790 1.00 0.00 C ATOM 1024 C LYS A 38 1.785 4.512 2.927 1.00 0.00 C ATOM 1025 O LYS A 38 2.919 4.335 2.527 1.00 0.00 O ATOM 1026 CB LYS A 38 1.402 5.347 5.269 1.00 0.00 C ATOM 1027 CG LYS A 38 2.738 5.746 5.909 1.00 0.00 C ATOM 1028 CD LYS A 38 2.808 5.258 7.361 1.00 0.00 C ATOM 1029 CE LYS A 38 3.685 6.210 8.190 1.00 0.00 C ATOM 1030 NZ LYS A 38 5.096 5.950 7.766 1.00 0.00 N ATOM 0 H LYS A 38 -0.700 5.967 3.886 1.00 0.00 H new ATOM 0 HA LYS A 38 2.232 6.444 3.530 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.575 5.847 5.773 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.237 4.275 5.373 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.563 5.321 5.337 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.853 6.829 5.878 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.806 5.209 7.786 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.218 4.249 7.395 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.409 7.249 8.011 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.559 6.026 9.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 5.745 6.496 8.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.306 4.936 7.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.219 6.238 6.774 1.00 0.00 H new ATOM 1044 N ARG A 39 0.860 3.601 2.757 1.00 0.00 N ATOM 1045 CA ARG A 39 1.197 2.314 2.052 1.00 0.00 C ATOM 1046 C ARG A 39 0.460 2.059 0.729 1.00 0.00 C ATOM 1047 O ARG A 39 -0.714 2.343 0.576 1.00 0.00 O ATOM 1048 CB ARG A 39 0.793 1.244 3.079 1.00 0.00 C ATOM 1049 CG ARG A 39 1.527 -0.076 2.807 1.00 0.00 C ATOM 1050 CD ARG A 39 0.550 -1.253 2.959 1.00 0.00 C ATOM 1051 NE ARG A 39 0.136 -1.255 4.395 1.00 0.00 N ATOM 1052 CZ ARG A 39 -0.918 -1.940 4.779 1.00 0.00 C ATOM 1053 NH1 ARG A 39 -1.092 -3.170 4.356 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -1.793 -1.388 5.577 1.00 0.00 N ATOM 0 H ARG A 39 -0.107 3.686 3.071 1.00 0.00 H new ATOM 0 HA ARG A 39 2.245 2.322 1.754 1.00 0.00 H new ATOM 0 HB2 ARG A 39 1.024 1.593 4.085 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -0.284 1.082 3.038 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.949 -0.068 1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.360 -0.190 3.501 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.312 -1.133 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 39 1.027 -2.195 2.688 1.00 0.00 H new ATOM 0 HE ARG A 39 0.673 -0.723 5.080 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.409 -3.595 3.729 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.910 -3.701 4.654 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -1.656 -0.430 5.899 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -2.613 -1.915 5.878 1.00 0.00 H new ATOM 1068 N GLN A 40 1.143 1.391 -0.168 1.00 0.00 N ATOM 1069 CA GLN A 40 0.547 0.921 -1.455 1.00 0.00 C ATOM 1070 C GLN A 40 1.198 -0.435 -1.658 1.00 0.00 C ATOM 1071 O GLN A 40 2.411 -0.514 -1.697 1.00 0.00 O ATOM 1072 CB GLN A 40 1.007 1.880 -2.550 1.00 0.00 C ATOM 1073 CG GLN A 40 0.131 3.129 -2.579 1.00 0.00 C ATOM 1074 CD GLN A 40 0.307 3.831 -3.928 1.00 0.00 C ATOM 1075 OE1 GLN A 40 1.268 3.590 -4.637 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.586 4.688 -4.328 1.00 0.00 N ATOM 0 H GLN A 40 2.126 1.144 -0.054 1.00 0.00 H new ATOM 0 HA GLN A 40 -0.542 0.873 -1.465 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.046 2.163 -2.379 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.968 1.380 -3.518 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.914 2.859 -2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.407 3.801 -1.766 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -1.393 4.895 -3.740 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.479 5.153 -5.230 1.00 0.00 H new ATOM 1085 N CYS A 41 0.481 -1.513 -1.719 1.00 0.00 N ATOM 1086 CA CYS A 41 1.224 -2.796 -1.837 1.00 0.00 C ATOM 1087 C CYS A 41 0.548 -3.842 -2.699 1.00 0.00 C ATOM 1088 O CYS A 41 -0.632 -4.092 -2.583 1.00 0.00 O ATOM 1089 CB CYS A 41 1.310 -3.300 -0.395 1.00 0.00 C ATOM 1090 SG CYS A 41 2.157 -2.065 0.622 1.00 0.00 S ATOM 0 H CYS A 41 -0.537 -1.570 -1.694 1.00 0.00 H new ATOM 0 HA CYS A 41 2.184 -2.626 -2.325 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.310 -3.487 -0.003 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.848 -4.247 -0.360 1.00 0.00 H new ATOM 1095 N ARG A 42 1.337 -4.535 -3.471 1.00 0.00 N ATOM 1096 CA ARG A 42 0.816 -5.677 -4.255 1.00 0.00 C ATOM 1097 C ARG A 42 1.100 -6.872 -3.351 1.00 0.00 C ATOM 1098 O ARG A 42 2.213 -7.026 -2.879 1.00 0.00 O ATOM 1099 CB ARG A 42 1.637 -5.712 -5.545 1.00 0.00 C ATOM 1100 CG ARG A 42 1.108 -4.654 -6.513 1.00 0.00 C ATOM 1101 CD ARG A 42 0.146 -5.311 -7.507 1.00 0.00 C ATOM 1102 NE ARG A 42 -0.098 -4.283 -8.560 1.00 0.00 N ATOM 1103 CZ ARG A 42 -1.325 -3.970 -8.906 1.00 0.00 C ATOM 1104 NH1 ARG A 42 -2.165 -4.912 -9.256 1.00 0.00 N ATOM 1105 NH2 ARG A 42 -1.714 -2.720 -8.878 1.00 0.00 N ATOM 0 H ARG A 42 2.333 -4.352 -3.590 1.00 0.00 H new ATOM 0 HA ARG A 42 -0.239 -5.643 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.688 -5.526 -5.325 1.00 0.00 H new ATOM 0 HB3 ARG A 42 1.577 -6.700 -6.001 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.597 -3.864 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.936 -4.186 -7.046 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.579 -6.216 -7.934 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -0.784 -5.603 -7.019 1.00 0.00 H new ATOM 0 HE ARG A 42 0.691 -3.822 -9.013 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.865 -5.887 -9.259 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -3.119 -4.671 -9.525 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.064 -1.990 -8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.667 -2.476 -9.147 1.00 0.00 H new ATOM 1119 N SER A 43 0.115 -7.652 -3.020 1.00 0.00 N ATOM 1120 CA SER A 43 0.355 -8.764 -2.041 1.00 0.00 C ATOM 1121 C SER A 43 0.417 -10.136 -2.703 1.00 0.00 C ATOM 1122 O SER A 43 -0.322 -10.433 -3.619 1.00 0.00 O ATOM 1123 CB SER A 43 -0.824 -8.693 -1.065 1.00 0.00 C ATOM 1124 OG SER A 43 -1.194 -7.330 -0.860 1.00 0.00 O ATOM 0 H SER A 43 -0.838 -7.577 -3.375 1.00 0.00 H new ATOM 0 HA SER A 43 1.321 -8.641 -1.552 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.671 -9.255 -1.460 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.551 -9.153 -0.115 1.00 0.00 H new ATOM 0 HG SER A 43 -1.719 -7.015 -1.625 1.00 0.00 H new ATOM 1251 N CYS A 52 5.009 -4.961 -1.528 1.00 0.00 N ATOM 1252 CA CYS A 52 4.389 -3.839 -0.746 1.00 0.00 C ATOM 1253 C CYS A 52 5.391 -2.684 -0.666 1.00 0.00 C ATOM 1254 O CYS A 52 6.580 -2.903 -0.492 1.00 0.00 O ATOM 1255 CB CYS A 52 4.093 -4.400 0.648 1.00 0.00 C ATOM 1256 SG CYS A 52 3.485 -3.092 1.739 1.00 0.00 S ATOM 0 HA CYS A 52 3.476 -3.464 -1.208 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.352 -5.196 0.577 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.996 -4.842 1.068 1.00 0.00 H new ATOM 1261 N TRP A 53 4.938 -1.462 -0.783 1.00 0.00 N ATOM 1262 CA TRP A 53 5.887 -0.309 -0.710 1.00 0.00 C ATOM 1263 C TRP A 53 5.207 0.909 -0.068 1.00 0.00 C ATOM 1264 O TRP A 53 3.999 1.043 -0.086 1.00 0.00 O ATOM 1265 CB TRP A 53 6.320 -0.027 -2.163 1.00 0.00 C ATOM 1266 CG TRP A 53 5.194 0.528 -2.985 1.00 0.00 C ATOM 1267 CD1 TRP A 53 4.811 1.822 -2.997 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.334 -0.160 -3.945 1.00 0.00 C ATOM 1269 NE1 TRP A 53 3.754 1.970 -3.875 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.427 0.780 -4.486 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.245 -1.493 -4.384 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.472 0.413 -5.433 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.286 -1.866 -5.341 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.400 -0.914 -5.862 1.00 0.00 C ATOM 0 H TRP A 53 3.959 -1.213 -0.925 1.00 0.00 H new ATOM 0 HA TRP A 53 6.753 -0.532 -0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.152 0.678 -2.164 1.00 0.00 H new ATOM 0 HB3 TRP A 53 6.683 -0.948 -2.619 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.258 2.614 -2.415 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.274 2.853 -4.049 1.00 0.00 H new ATOM 0 HE3 TRP A 53 4.919 -2.236 -3.983 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.792 1.151 -5.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.232 -2.891 -5.676 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.662 -1.206 -6.595 1.00 0.00 H new ATOM 1285 N CYS A 54 5.976 1.792 0.510 1.00 0.00 N ATOM 1286 CA CYS A 54 5.369 2.998 1.156 1.00 0.00 C ATOM 1287 C CYS A 54 5.132 4.093 0.116 1.00 0.00 C ATOM 1288 O CYS A 54 5.710 4.079 -0.955 1.00 0.00 O ATOM 1289 CB CYS A 54 6.386 3.466 2.196 1.00 0.00 C ATOM 1290 SG CYS A 54 6.516 2.242 3.524 1.00 0.00 S ATOM 0 H CYS A 54 6.993 1.734 0.564 1.00 0.00 H new ATOM 0 HA CYS A 54 4.405 2.770 1.610 1.00 0.00 H new ATOM 0 HB2 CYS A 54 7.359 3.611 1.727 1.00 0.00 H new ATOM 0 HB3 CYS A 54 6.083 4.430 2.606 1.00 0.00 H new ATOM 0 HG CYS A 54 7.384 2.646 4.403 1.00 0.00 H new ATOM 1295 N VAL A 55 4.290 5.040 0.424 1.00 0.00 N ATOM 1296 CA VAL A 55 4.000 6.147 -0.540 1.00 0.00 C ATOM 1297 C VAL A 55 3.727 7.436 0.234 1.00 0.00 C ATOM 1298 O VAL A 55 3.522 7.403 1.432 1.00 0.00 O ATOM 1299 CB VAL A 55 2.736 5.718 -1.300 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.087 4.587 -2.261 1.00 0.00 C ATOM 1301 CG2 VAL A 55 1.660 5.237 -0.320 1.00 0.00 C ATOM 0 H VAL A 55 3.785 5.098 1.308 1.00 0.00 H new ATOM 0 HA VAL A 55 4.834 6.328 -1.218 1.00 0.00 H new ATOM 0 HB VAL A 55 2.349 6.573 -1.855 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.193 4.279 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.840 4.932 -2.970 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.480 3.740 -1.698 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.771 4.937 -0.874 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.038 4.387 0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.404 6.045 0.365 1.00 0.00 H new ATOM 1311 N ASP A 56 3.696 8.562 -0.431 1.00 0.00 N ATOM 1312 CA ASP A 56 3.387 9.823 0.283 1.00 0.00 C ATOM 1313 C ASP A 56 1.890 10.085 0.136 1.00 0.00 C ATOM 1314 O ASP A 56 1.191 9.327 -0.502 1.00 0.00 O ATOM 1315 CB ASP A 56 4.241 10.928 -0.363 1.00 0.00 C ATOM 1316 CG ASP A 56 3.546 11.516 -1.588 1.00 0.00 C ATOM 1317 OD1 ASP A 56 3.679 10.942 -2.651 1.00 0.00 O ATOM 1318 OD2 ASP A 56 2.910 12.545 -1.444 1.00 0.00 O ATOM 0 H ASP A 56 3.871 8.657 -1.431 1.00 0.00 H new ATOM 0 HA ASP A 56 3.618 9.782 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.431 11.717 0.365 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.210 10.521 -0.652 1.00 0.00 H new ATOM 1323 N ARG A 57 1.402 11.131 0.726 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.074 11.437 0.648 1.00 0.00 C ATOM 1325 C ARG A 57 -0.609 11.376 -0.790 1.00 0.00 C ATOM 1326 O ARG A 57 -1.757 11.029 -1.007 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.254 12.845 1.227 1.00 0.00 C ATOM 1328 CG ARG A 57 0.530 13.866 0.402 1.00 0.00 C ATOM 1329 CD ARG A 57 1.027 14.989 1.318 1.00 0.00 C ATOM 1330 NE ARG A 57 2.159 14.395 2.094 1.00 0.00 N ATOM 1331 CZ ARG A 57 3.391 14.655 1.742 1.00 0.00 C ATOM 1332 NH1 ARG A 57 3.868 14.144 0.638 1.00 0.00 N ATOM 1333 NH2 ARG A 57 4.147 15.416 2.496 1.00 0.00 N ATOM 0 H ARG A 57 1.952 11.800 1.265 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.639 10.691 1.207 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.311 13.109 1.235 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.087 12.866 2.262 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.374 13.382 -0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.103 14.277 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.357 15.851 0.739 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.234 15.335 1.981 1.00 0.00 H new ATOM 0 HE ARG A 57 1.971 13.790 2.894 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.280 13.546 0.057 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.828 14.343 0.357 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.775 15.808 3.361 1.00 0.00 H new ATOM 0 HH22 ARG A 57 5.108 15.616 2.218 1.00 0.00 H new ATOM 1347 N MET A 58 0.187 11.706 -1.776 1.00 0.00 N ATOM 1348 CA MET A 58 -0.314 11.658 -3.178 1.00 0.00 C ATOM 1349 C MET A 58 -0.370 10.196 -3.666 1.00 0.00 C ATOM 1350 O MET A 58 -1.092 9.870 -4.592 1.00 0.00 O ATOM 1351 CB MET A 58 0.702 12.502 -3.966 1.00 0.00 C ATOM 1352 CG MET A 58 0.936 11.937 -5.367 1.00 0.00 C ATOM 1353 SD MET A 58 0.066 12.961 -6.582 1.00 0.00 S ATOM 1354 CE MET A 58 -1.624 12.579 -6.045 1.00 0.00 C ATOM 0 H MET A 58 1.156 12.005 -1.669 1.00 0.00 H new ATOM 0 HA MET A 58 -1.326 12.045 -3.296 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.342 13.528 -4.042 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.647 12.535 -3.424 1.00 0.00 H new ATOM 0 HG2 MET A 58 2.003 11.917 -5.589 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.580 10.908 -5.420 1.00 0.00 H new ATOM 0 HE1 MET A 58 -2.333 12.938 -6.791 1.00 0.00 H new ATOM 0 HE2 MET A 58 -1.734 11.501 -5.929 1.00 0.00 H new ATOM 0 HE3 MET A 58 -1.822 13.069 -5.092 1.00 0.00 H new ATOM 1364 N GLY A 59 0.367 9.314 -3.044 1.00 0.00 N ATOM 1365 CA GLY A 59 0.345 7.882 -3.460 1.00 0.00 C ATOM 1366 C GLY A 59 1.589 7.553 -4.290 1.00 0.00 C ATOM 1367 O GLY A 59 1.642 6.528 -4.946 1.00 0.00 O ATOM 0 H GLY A 59 0.986 9.526 -2.262 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.306 7.241 -2.580 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.554 7.679 -4.042 1.00 0.00 H new ATOM 1371 N LYS A 60 2.600 8.389 -4.266 1.00 0.00 N ATOM 1372 CA LYS A 60 3.825 8.079 -5.050 1.00 0.00 C ATOM 1373 C LYS A 60 4.664 7.068 -4.258 1.00 0.00 C ATOM 1374 O LYS A 60 4.714 7.102 -3.048 1.00 0.00 O ATOM 1375 CB LYS A 60 4.521 9.428 -5.257 1.00 0.00 C ATOM 1376 CG LYS A 60 5.992 9.357 -4.854 1.00 0.00 C ATOM 1377 CD LYS A 60 6.637 10.703 -5.166 1.00 0.00 C ATOM 1378 CE LYS A 60 7.388 11.258 -3.940 1.00 0.00 C ATOM 1379 NZ LYS A 60 6.483 11.071 -2.766 1.00 0.00 N ATOM 0 H LYS A 60 2.625 9.263 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 60 3.635 7.620 -6.020 1.00 0.00 H new ATOM 0 HB2 LYS A 60 4.441 9.725 -6.303 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.017 10.195 -4.669 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.085 9.128 -3.792 1.00 0.00 H new ATOM 0 HG3 LYS A 60 6.497 8.558 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 60 7.329 10.593 -6.001 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.871 11.413 -5.479 1.00 0.00 H new ATOM 0 HE2 LYS A 60 8.330 10.731 -3.791 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.631 12.312 -4.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.589 11.875 -2.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.497 11.017 -3.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.732 10.190 -2.272 1.00 0.00 H new ATOM 1393 N SER A 61 5.276 6.150 -4.942 1.00 0.00 N ATOM 1394 CA SER A 61 6.065 5.074 -4.274 1.00 0.00 C ATOM 1395 C SER A 61 7.328 5.592 -3.590 1.00 0.00 C ATOM 1396 O SER A 61 8.234 6.110 -4.219 1.00 0.00 O ATOM 1397 CB SER A 61 6.433 4.104 -5.399 1.00 0.00 C ATOM 1398 OG SER A 61 5.290 3.872 -6.221 1.00 0.00 O ATOM 0 H SER A 61 5.265 6.095 -5.960 1.00 0.00 H new ATOM 0 HA SER A 61 5.481 4.612 -3.478 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.246 4.516 -5.997 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.790 3.163 -4.980 1.00 0.00 H new ATOM 0 HG SER A 61 4.657 3.294 -5.746 1.00 0.00 H new ATOM 1404 N LEU A 62 7.405 5.396 -2.304 1.00 0.00 N ATOM 1405 CA LEU A 62 8.618 5.801 -1.528 1.00 0.00 C ATOM 1406 C LEU A 62 9.636 4.651 -1.603 1.00 0.00 C ATOM 1407 O LEU A 62 9.339 3.626 -2.187 1.00 0.00 O ATOM 1408 CB LEU A 62 8.126 5.974 -0.085 1.00 0.00 C ATOM 1409 CG LEU A 62 7.285 7.252 0.048 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.573 7.253 1.396 1.00 0.00 C ATOM 1411 CD2 LEU A 62 8.189 8.482 -0.032 1.00 0.00 C ATOM 0 H LEU A 62 6.668 4.965 -1.745 1.00 0.00 H new ATOM 0 HA LEU A 62 9.089 6.710 -1.902 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.532 5.109 0.209 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.978 6.021 0.593 1.00 0.00 H new ATOM 0 HG LEU A 62 6.555 7.281 -0.761 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.976 8.160 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.922 6.381 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.311 7.219 2.197 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.585 9.384 0.063 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.921 8.449 0.775 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.707 8.491 -0.991 1.00 0.00 H new