USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=12 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 35:sc= 1.23 USER MOD Set 1.2: A 40 GLN : amide:sc= -1.75! C(o=-0.52!,f=-9!) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 0.21 K(o=-0.031,f=-11!) USER MOD Set 2.2: A 36 TYR OH : rot -77:sc= -0.24 USER MOD Single : A 1 GLY N :NH3+ 154:sc= -0.851 (180deg=-1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.596 X(o=-0.6,f=-0.65) USER MOD Single : A 13 GLN : amide:sc= 0.155 K(o=0.15,f=-2.2!) USER MOD Single : A 15 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 16:sc= 0.877 USER MOD Single : A 29 ASN : amide:sc= 0.41 K(o=0.41,f=-4.5!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=-0.064) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 85:sc= 1.24 USER MOD Single : A 54 CYS SG : rot -28:sc= 0.0501 USER MOD Single : A 58 MET CE :methyl 147:sc= -0.419 (180deg=-1.91!) USER MOD Single : A 60 LYS NZ :NH3+ 142:sc= -0.224 (180deg=-1.5!) USER MOD Single : A 61 SER OG : rot -85:sc= 1.02 USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.089 9.653 1.035 1.00 0.00 N ATOM 423 CA GLY A 1 -9.999 10.111 0.120 1.00 0.00 C ATOM 424 C GLY A 1 -9.929 9.182 -1.096 1.00 0.00 C ATOM 425 O GLY A 1 -10.794 8.345 -1.287 1.00 0.00 O ATOM 0 H1 GLY A 1 -10.878 9.958 2.007 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.994 10.067 0.731 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.155 8.616 1.004 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.186 11.135 -0.202 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.044 10.112 0.646 1.00 0.00 H new ATOM 429 N PRO A 2 -8.900 9.350 -1.890 1.00 0.00 N ATOM 430 CA PRO A 2 -8.732 8.504 -3.105 1.00 0.00 C ATOM 431 C PRO A 2 -8.397 7.057 -2.718 1.00 0.00 C ATOM 432 O PRO A 2 -8.822 6.117 -3.357 1.00 0.00 O ATOM 433 CB PRO A 2 -7.566 9.160 -3.838 1.00 0.00 C ATOM 434 CG PRO A 2 -6.799 9.891 -2.781 1.00 0.00 C ATOM 435 CD PRO A 2 -7.800 10.319 -1.738 1.00 0.00 C ATOM 0 HA PRO A 2 -9.634 8.447 -3.714 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.943 8.415 -4.333 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.920 9.843 -4.610 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.035 9.249 -2.343 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.286 10.755 -3.203 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.373 10.286 -0.736 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.141 11.341 -1.906 1.00 0.00 H new ATOM 443 N CYS A 3 -7.636 6.880 -1.675 1.00 0.00 N ATOM 444 CA CYS A 3 -7.257 5.507 -1.233 1.00 0.00 C ATOM 445 C CYS A 3 -8.457 4.778 -0.607 1.00 0.00 C ATOM 446 O CYS A 3 -8.649 3.600 -0.823 1.00 0.00 O ATOM 447 CB CYS A 3 -6.154 5.735 -0.196 1.00 0.00 C ATOM 448 SG CYS A 3 -5.298 4.187 0.166 1.00 0.00 S ATOM 0 H CYS A 3 -7.256 7.635 -1.103 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.927 4.881 -2.062 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.443 6.472 -0.569 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.585 6.142 0.719 1.00 0.00 H new ATOM 453 N ARG A 4 -9.263 5.464 0.177 1.00 0.00 N ATOM 454 CA ARG A 4 -10.437 4.783 0.821 1.00 0.00 C ATOM 455 C ARG A 4 -11.341 4.113 -0.225 1.00 0.00 C ATOM 456 O ARG A 4 -11.747 2.979 -0.057 1.00 0.00 O ATOM 457 CB ARG A 4 -11.214 5.891 1.550 1.00 0.00 C ATOM 458 CG ARG A 4 -12.114 5.266 2.626 1.00 0.00 C ATOM 459 CD ARG A 4 -13.467 4.872 2.016 1.00 0.00 C ATOM 460 NE ARG A 4 -14.080 3.926 2.997 1.00 0.00 N ATOM 461 CZ ARG A 4 -14.483 2.744 2.608 1.00 0.00 C ATOM 462 NH1 ARG A 4 -13.614 1.880 2.151 1.00 0.00 N ATOM 463 NH2 ARG A 4 -15.749 2.424 2.695 1.00 0.00 N ATOM 0 H ARG A 4 -9.160 6.455 0.396 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.104 3.996 1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.519 6.596 2.007 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.818 6.454 0.839 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.629 4.388 3.052 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.266 5.974 3.441 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -14.100 5.746 1.864 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.337 4.400 1.042 1.00 0.00 H new ATOM 0 HE ARG A 4 -14.184 4.203 3.973 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -12.626 2.129 2.099 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -13.924 0.957 1.847 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -16.421 3.096 3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -16.064 1.502 2.392 1.00 0.00 H new ATOM 477 N ARG A 5 -11.664 4.798 -1.293 1.00 0.00 N ATOM 478 CA ARG A 5 -12.555 4.181 -2.328 1.00 0.00 C ATOM 479 C ARG A 5 -11.849 3.005 -3.007 1.00 0.00 C ATOM 480 O ARG A 5 -12.460 1.992 -3.300 1.00 0.00 O ATOM 481 CB ARG A 5 -12.873 5.292 -3.338 1.00 0.00 C ATOM 482 CG ARG A 5 -11.586 5.919 -3.895 1.00 0.00 C ATOM 483 CD ARG A 5 -11.933 6.814 -5.089 1.00 0.00 C ATOM 484 NE ARG A 5 -12.843 7.874 -4.554 1.00 0.00 N ATOM 485 CZ ARG A 5 -12.477 9.125 -4.611 1.00 0.00 C ATOM 486 NH1 ARG A 5 -12.786 9.837 -5.661 1.00 0.00 N ATOM 487 NH2 ARG A 5 -11.833 9.665 -3.607 1.00 0.00 N ATOM 0 H ARG A 5 -11.354 5.749 -1.494 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.469 3.785 -1.885 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.466 4.884 -4.157 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -13.478 6.061 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -11.088 6.503 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -10.891 5.138 -4.202 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -11.034 7.253 -5.523 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -12.421 6.242 -5.878 1.00 0.00 H new ATOM 0 HE ARG A 5 -13.743 7.620 -4.147 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.309 9.414 -6.428 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -12.504 10.816 -5.714 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -11.617 9.108 -2.780 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -11.547 10.643 -3.652 1.00 0.00 H new ATOM 501 N HIS A 6 -10.573 3.121 -3.248 1.00 0.00 N ATOM 502 CA HIS A 6 -9.834 2.000 -3.894 1.00 0.00 C ATOM 503 C HIS A 6 -9.711 0.852 -2.896 1.00 0.00 C ATOM 504 O HIS A 6 -9.943 -0.292 -3.233 1.00 0.00 O ATOM 505 CB HIS A 6 -8.459 2.564 -4.275 1.00 0.00 C ATOM 506 CG HIS A 6 -8.587 3.363 -5.547 1.00 0.00 C ATOM 507 ND1 HIS A 6 -8.767 4.736 -5.535 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.568 3.002 -6.872 1.00 0.00 C ATOM 509 CE1 HIS A 6 -8.851 5.147 -6.810 1.00 0.00 C ATOM 510 NE2 HIS A 6 -8.738 4.131 -7.668 1.00 0.00 N ATOM 0 H HIS A 6 -10.010 3.942 -3.026 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.341 1.613 -4.778 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.076 3.194 -3.472 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.745 1.752 -4.412 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -8.825 5.328 -4.707 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.440 1.995 -7.240 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -8.993 6.176 -7.106 1.00 0.00 H new ATOM 518 N LEU A 7 -9.377 1.150 -1.660 1.00 0.00 N ATOM 519 CA LEU A 7 -9.270 0.067 -0.636 1.00 0.00 C ATOM 520 C LEU A 7 -10.608 -0.668 -0.534 1.00 0.00 C ATOM 521 O LEU A 7 -10.646 -1.880 -0.470 1.00 0.00 O ATOM 522 CB LEU A 7 -8.937 0.768 0.690 1.00 0.00 C ATOM 523 CG LEU A 7 -7.739 0.080 1.352 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.519 0.672 2.742 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.019 -1.416 1.494 1.00 0.00 C ATOM 0 H LEU A 7 -9.176 2.091 -1.321 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.506 -0.667 -0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -8.711 1.819 0.510 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.800 0.737 1.355 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.853 0.233 0.736 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.667 0.184 3.215 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.323 1.741 2.655 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.410 0.515 3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.165 -1.903 1.965 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.906 -1.563 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.186 -1.850 0.508 1.00 0.00 H new ATOM 537 N ASP A 8 -11.709 0.052 -0.538 1.00 0.00 N ATOM 538 CA ASP A 8 -13.046 -0.620 -0.463 1.00 0.00 C ATOM 539 C ASP A 8 -13.165 -1.622 -1.609 1.00 0.00 C ATOM 540 O ASP A 8 -13.550 -2.759 -1.417 1.00 0.00 O ATOM 541 CB ASP A 8 -14.079 0.495 -0.631 1.00 0.00 C ATOM 542 CG ASP A 8 -15.393 0.065 0.016 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.472 0.091 1.232 1.00 0.00 O ATOM 544 OD2 ASP A 8 -16.301 -0.284 -0.713 1.00 0.00 O ATOM 0 H ASP A 8 -11.738 1.070 -0.590 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.189 -1.157 0.475 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.717 1.414 -0.171 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.233 0.707 -1.689 1.00 0.00 H new ATOM 549 N SER A 9 -12.819 -1.206 -2.796 1.00 0.00 N ATOM 550 CA SER A 9 -12.884 -2.133 -3.962 1.00 0.00 C ATOM 551 C SER A 9 -11.820 -3.225 -3.805 1.00 0.00 C ATOM 552 O SER A 9 -12.097 -4.397 -3.959 1.00 0.00 O ATOM 553 CB SER A 9 -12.603 -1.273 -5.199 1.00 0.00 C ATOM 554 OG SER A 9 -13.681 -0.361 -5.402 1.00 0.00 O ATOM 0 H SER A 9 -12.494 -0.263 -3.010 1.00 0.00 H new ATOM 0 HA SER A 9 -13.852 -2.627 -4.043 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.669 -0.725 -5.069 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.481 -1.908 -6.076 1.00 0.00 H new ATOM 0 HG SER A 9 -13.499 0.189 -6.192 1.00 0.00 H new ATOM 560 N VAL A 10 -10.605 -2.850 -3.497 1.00 0.00 N ATOM 561 CA VAL A 10 -9.525 -3.869 -3.336 1.00 0.00 C ATOM 562 C VAL A 10 -9.879 -4.841 -2.209 1.00 0.00 C ATOM 563 O VAL A 10 -9.781 -6.041 -2.368 1.00 0.00 O ATOM 564 CB VAL A 10 -8.264 -3.065 -2.990 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.101 -4.019 -2.719 1.00 0.00 C ATOM 566 CG2 VAL A 10 -7.896 -2.154 -4.169 1.00 0.00 C ATOM 0 H VAL A 10 -10.314 -1.883 -3.350 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.385 -4.469 -4.235 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.459 -2.462 -2.103 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.208 -3.444 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -7.353 -4.672 -1.883 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -6.911 -4.623 -3.606 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.001 -1.584 -3.922 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -7.707 -2.762 -5.053 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.719 -1.468 -4.370 1.00 0.00 H new ATOM 576 N LEU A 11 -10.298 -4.342 -1.072 1.00 0.00 N ATOM 577 CA LEU A 11 -10.654 -5.262 0.045 1.00 0.00 C ATOM 578 C LEU A 11 -11.921 -6.061 -0.300 1.00 0.00 C ATOM 579 O LEU A 11 -12.004 -7.241 0.000 1.00 0.00 O ATOM 580 CB LEU A 11 -10.825 -4.382 1.301 1.00 0.00 C ATOM 581 CG LEU A 11 -12.257 -3.840 1.432 1.00 0.00 C ATOM 582 CD1 LEU A 11 -13.149 -4.879 2.115 1.00 0.00 C ATOM 583 CD2 LEU A 11 -12.229 -2.567 2.282 1.00 0.00 C ATOM 0 H LEU A 11 -10.407 -3.348 -0.873 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.878 -6.006 0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.575 -4.964 2.188 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -10.124 -3.548 1.258 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.654 -3.623 0.440 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.162 -4.487 2.204 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.164 -5.792 1.520 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -12.757 -5.099 3.108 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.241 -2.174 2.381 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -11.831 -2.798 3.270 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -11.596 -1.822 1.801 1.00 0.00 H new ATOM 595 N GLN A 12 -12.902 -5.461 -0.941 1.00 0.00 N ATOM 596 CA GLN A 12 -14.119 -6.254 -1.295 1.00 0.00 C ATOM 597 C GLN A 12 -13.768 -7.254 -2.411 1.00 0.00 C ATOM 598 O GLN A 12 -14.168 -8.405 -2.375 1.00 0.00 O ATOM 599 CB GLN A 12 -15.199 -5.241 -1.734 1.00 0.00 C ATOM 600 CG GLN A 12 -15.025 -4.853 -3.206 1.00 0.00 C ATOM 601 CD GLN A 12 -16.102 -3.840 -3.610 1.00 0.00 C ATOM 602 OE1 GLN A 12 -16.860 -4.074 -4.528 1.00 0.00 O ATOM 603 NE2 GLN A 12 -16.197 -2.713 -2.965 1.00 0.00 N ATOM 0 H GLN A 12 -12.911 -4.482 -1.226 1.00 0.00 H new ATOM 0 HA GLN A 12 -14.492 -6.838 -0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.189 -5.672 -1.583 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.141 -4.349 -1.110 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -14.035 -4.426 -3.364 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.094 -5.740 -3.835 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.562 -2.512 -2.193 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -16.907 -2.031 -3.232 1.00 0.00 H new ATOM 612 N GLN A 13 -13.013 -6.830 -3.396 1.00 0.00 N ATOM 613 CA GLN A 13 -12.622 -7.750 -4.507 1.00 0.00 C ATOM 614 C GLN A 13 -11.583 -8.775 -4.033 1.00 0.00 C ATOM 615 O GLN A 13 -11.561 -9.888 -4.499 1.00 0.00 O ATOM 616 CB GLN A 13 -12.028 -6.850 -5.600 1.00 0.00 C ATOM 617 CG GLN A 13 -13.156 -6.327 -6.497 1.00 0.00 C ATOM 618 CD GLN A 13 -12.720 -5.022 -7.167 1.00 0.00 C ATOM 619 OE1 GLN A 13 -13.186 -3.955 -6.807 1.00 0.00 O ATOM 620 NE2 GLN A 13 -11.846 -5.056 -8.131 1.00 0.00 N ATOM 0 H GLN A 13 -12.650 -5.880 -3.477 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.478 -8.319 -4.870 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.491 -6.016 -5.148 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.305 -7.409 -6.194 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.405 -7.070 -7.254 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.056 -6.160 -5.906 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.455 -5.948 -8.434 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.552 -4.191 -8.584 1.00 0.00 H new ATOM 629 N LEU A 14 -10.712 -8.403 -3.130 1.00 0.00 N ATOM 630 CA LEU A 14 -9.645 -9.352 -2.663 1.00 0.00 C ATOM 631 C LEU A 14 -10.217 -10.715 -2.264 1.00 0.00 C ATOM 632 O LEU A 14 -9.622 -11.741 -2.542 1.00 0.00 O ATOM 633 CB LEU A 14 -9.017 -8.701 -1.424 1.00 0.00 C ATOM 634 CG LEU A 14 -7.513 -8.555 -1.637 1.00 0.00 C ATOM 635 CD1 LEU A 14 -6.900 -7.790 -0.461 1.00 0.00 C ATOM 636 CD2 LEU A 14 -6.872 -9.943 -1.736 1.00 0.00 C ATOM 0 H LEU A 14 -10.690 -7.482 -2.692 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.930 -9.528 -3.466 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.467 -7.724 -1.245 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.213 -9.309 -0.541 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.330 -8.005 -2.560 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.826 -7.687 -0.615 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.354 -6.801 -0.394 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.083 -8.337 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -5.798 -9.838 -1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.056 -10.495 -0.814 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.306 -10.485 -2.576 1.00 0.00 H new ATOM 648 N GLN A 15 -11.343 -10.751 -1.607 1.00 0.00 N ATOM 649 CA GLN A 15 -11.910 -12.074 -1.191 1.00 0.00 C ATOM 650 C GLN A 15 -12.592 -12.783 -2.359 1.00 0.00 C ATOM 651 O GLN A 15 -12.745 -13.988 -2.357 1.00 0.00 O ATOM 652 CB GLN A 15 -12.925 -11.769 -0.082 1.00 0.00 C ATOM 653 CG GLN A 15 -12.245 -10.987 1.049 1.00 0.00 C ATOM 654 CD GLN A 15 -12.373 -11.771 2.354 1.00 0.00 C ATOM 655 OE1 GLN A 15 -13.268 -11.525 3.137 1.00 0.00 O ATOM 656 NE2 GLN A 15 -11.523 -12.717 2.618 1.00 0.00 N ATOM 0 H GLN A 15 -11.893 -9.934 -1.340 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.121 -12.742 -0.845 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.756 -11.191 -0.487 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.342 -12.698 0.306 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.194 -10.823 0.812 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.705 -10.005 1.155 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -10.771 -12.925 1.961 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -11.608 -13.252 3.482 1.00 0.00 H new ATOM 665 N THR A 16 -13.003 -12.054 -3.351 1.00 0.00 N ATOM 666 CA THR A 16 -13.681 -12.682 -4.511 1.00 0.00 C ATOM 667 C THR A 16 -12.700 -12.825 -5.681 1.00 0.00 C ATOM 668 O THR A 16 -12.772 -13.757 -6.464 1.00 0.00 O ATOM 669 CB THR A 16 -14.784 -11.687 -4.854 1.00 0.00 C ATOM 670 OG1 THR A 16 -15.917 -11.919 -4.024 1.00 0.00 O ATOM 671 CG2 THR A 16 -15.171 -11.831 -6.319 1.00 0.00 C ATOM 0 H THR A 16 -12.898 -11.041 -3.409 1.00 0.00 H new ATOM 0 HA THR A 16 -14.061 -13.682 -4.302 1.00 0.00 H new ATOM 0 HB THR A 16 -14.420 -10.674 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.623 -11.276 -4.247 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.960 -11.118 -6.559 1.00 0.00 H new ATOM 0 HG22 THR A 16 -14.301 -11.635 -6.946 1.00 0.00 H new ATOM 0 HG23 THR A 16 -15.530 -12.844 -6.503 1.00 0.00 H new ATOM 679 N GLU A 17 -11.797 -11.898 -5.807 1.00 0.00 N ATOM 680 CA GLU A 17 -10.808 -11.951 -6.920 1.00 0.00 C ATOM 681 C GLU A 17 -9.529 -12.640 -6.449 1.00 0.00 C ATOM 682 O GLU A 17 -8.435 -12.223 -6.785 1.00 0.00 O ATOM 683 CB GLU A 17 -10.538 -10.488 -7.288 1.00 0.00 C ATOM 684 CG GLU A 17 -11.813 -9.868 -7.875 1.00 0.00 C ATOM 685 CD GLU A 17 -11.442 -8.810 -8.911 1.00 0.00 C ATOM 686 OE1 GLU A 17 -10.961 -7.763 -8.520 1.00 0.00 O ATOM 687 OE2 GLU A 17 -11.642 -9.061 -10.081 1.00 0.00 O ATOM 0 H GLU A 17 -11.699 -11.098 -5.182 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.175 -12.517 -7.776 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -10.223 -9.932 -6.405 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.724 -10.427 -8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.426 -10.642 -8.336 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.410 -9.419 -7.081 1.00 0.00 H new ATOM 789 N THR A 24 -1.183 -11.357 -7.144 1.00 0.00 N ATOM 790 CA THR A 24 -0.610 -9.981 -7.015 1.00 0.00 C ATOM 791 C THR A 24 -1.656 -8.895 -6.731 1.00 0.00 C ATOM 792 O THR A 24 -1.570 -7.800 -7.259 1.00 0.00 O ATOM 793 CB THR A 24 0.107 -9.685 -8.323 1.00 0.00 C ATOM 794 OG1 THR A 24 0.126 -10.830 -9.180 1.00 0.00 O ATOM 795 CG2 THR A 24 1.515 -9.271 -7.957 1.00 0.00 C ATOM 0 HA THR A 24 0.060 -9.961 -6.155 1.00 0.00 H new ATOM 0 HB THR A 24 -0.409 -8.897 -8.872 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.530 -11.486 -8.864 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.076 -9.046 -8.864 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.481 -8.385 -7.323 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.005 -10.083 -7.420 1.00 0.00 H new ATOM 803 N LEU A 25 -2.621 -9.157 -5.912 1.00 0.00 N ATOM 804 CA LEU A 25 -3.631 -8.094 -5.620 1.00 0.00 C ATOM 805 C LEU A 25 -2.980 -7.107 -4.666 1.00 0.00 C ATOM 806 O LEU A 25 -2.471 -7.471 -3.626 1.00 0.00 O ATOM 807 CB LEU A 25 -4.835 -8.779 -4.956 1.00 0.00 C ATOM 808 CG LEU A 25 -5.910 -9.104 -6.008 1.00 0.00 C ATOM 809 CD1 LEU A 25 -7.203 -9.539 -5.314 1.00 0.00 C ATOM 810 CD2 LEU A 25 -6.203 -7.864 -6.863 1.00 0.00 C ATOM 0 H LEU A 25 -2.763 -10.046 -5.432 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.963 -7.569 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.513 -9.695 -4.460 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.253 -8.130 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.541 -9.909 -6.643 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.960 -9.768 -6.065 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.011 -10.426 -4.710 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.560 -8.734 -4.672 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.965 -8.105 -7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.561 -7.057 -6.223 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.291 -7.548 -7.370 1.00 0.00 H new ATOM 822 N TYR A 26 -2.930 -5.875 -5.054 1.00 0.00 N ATOM 823 CA TYR A 26 -2.237 -4.852 -4.219 1.00 0.00 C ATOM 824 C TYR A 26 -3.202 -4.065 -3.315 1.00 0.00 C ATOM 825 O TYR A 26 -4.275 -3.661 -3.722 1.00 0.00 O ATOM 826 CB TYR A 26 -1.522 -3.947 -5.244 1.00 0.00 C ATOM 827 CG TYR A 26 -2.109 -2.559 -5.234 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.585 -1.592 -4.375 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.173 -2.249 -6.082 1.00 0.00 C ATOM 830 CE1 TYR A 26 -2.126 -0.304 -4.364 1.00 0.00 C ATOM 831 CE2 TYR A 26 -3.716 -0.962 -6.076 1.00 0.00 C ATOM 832 CZ TYR A 26 -3.195 0.011 -5.219 1.00 0.00 C ATOM 833 OH TYR A 26 -3.734 1.283 -5.223 1.00 0.00 O ATOM 0 H TYR A 26 -3.340 -5.522 -5.919 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.542 -5.308 -3.514 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -0.458 -3.898 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -1.612 -4.378 -6.241 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.763 -1.839 -3.720 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -3.576 -3.003 -6.742 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.724 0.447 -3.700 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.538 -0.719 -6.733 1.00 0.00 H new ATOM 0 HH TYR A 26 -3.024 1.939 -5.061 1.00 0.00 H new ATOM 843 N VAL A 27 -2.796 -3.833 -2.091 1.00 0.00 N ATOM 844 CA VAL A 27 -3.634 -3.050 -1.137 1.00 0.00 C ATOM 845 C VAL A 27 -2.883 -1.755 -0.771 1.00 0.00 C ATOM 846 O VAL A 27 -1.729 -1.796 -0.378 1.00 0.00 O ATOM 847 CB VAL A 27 -3.819 -3.955 0.089 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.624 -3.219 1.163 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.575 -5.219 -0.323 1.00 0.00 C ATOM 0 H VAL A 27 -1.908 -4.158 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.601 -2.764 -1.550 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.840 -4.220 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.752 -3.867 2.030 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.092 -2.315 1.461 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.602 -2.950 0.764 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.708 -5.863 0.546 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.551 -4.945 -0.724 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.006 -5.751 -1.086 1.00 0.00 H new ATOM 859 N PRO A 28 -3.551 -0.642 -0.951 1.00 0.00 N ATOM 860 CA PRO A 28 -2.936 0.681 -0.667 1.00 0.00 C ATOM 861 C PRO A 28 -3.103 1.102 0.804 1.00 0.00 C ATOM 862 O PRO A 28 -4.086 0.785 1.446 1.00 0.00 O ATOM 863 CB PRO A 28 -3.726 1.623 -1.566 1.00 0.00 C ATOM 864 CG PRO A 28 -5.059 0.961 -1.790 1.00 0.00 C ATOM 865 CD PRO A 28 -4.926 -0.505 -1.444 1.00 0.00 C ATOM 0 HA PRO A 28 -1.861 0.679 -0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.849 2.599 -1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.208 1.787 -2.511 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.824 1.429 -1.171 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.372 1.079 -2.827 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.651 -0.801 -0.686 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.100 -1.136 -2.316 1.00 0.00 H new ATOM 873 N ASN A 29 -2.159 1.855 1.323 1.00 0.00 N ATOM 874 CA ASN A 29 -2.264 2.349 2.733 1.00 0.00 C ATOM 875 C ASN A 29 -2.880 3.747 2.708 1.00 0.00 C ATOM 876 O ASN A 29 -2.513 4.565 1.886 1.00 0.00 O ATOM 877 CB ASN A 29 -0.827 2.418 3.263 1.00 0.00 C ATOM 878 CG ASN A 29 -0.756 3.378 4.455 1.00 0.00 C ATOM 879 OD1 ASN A 29 -0.012 4.343 4.427 1.00 0.00 O ATOM 880 ND2 ASN A 29 -1.496 3.160 5.504 1.00 0.00 N ATOM 0 H ASN A 29 -1.318 2.149 0.827 1.00 0.00 H new ATOM 0 HA ASN A 29 -2.882 1.705 3.359 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.493 1.425 3.564 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.155 2.754 2.474 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -1.452 3.796 6.300 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.119 2.353 5.530 1.00 0.00 H new ATOM 887 N CYS A 30 -3.820 4.036 3.568 1.00 0.00 N ATOM 888 CA CYS A 30 -4.447 5.391 3.532 1.00 0.00 C ATOM 889 C CYS A 30 -4.513 6.011 4.931 1.00 0.00 C ATOM 890 O CYS A 30 -4.803 5.340 5.905 1.00 0.00 O ATOM 891 CB CYS A 30 -5.877 5.158 3.024 1.00 0.00 C ATOM 892 SG CYS A 30 -5.974 3.658 1.993 1.00 0.00 S ATOM 0 H CYS A 30 -4.177 3.404 4.284 1.00 0.00 H new ATOM 0 HA CYS A 30 -3.872 6.070 2.903 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.556 5.064 3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.206 6.022 2.446 1.00 0.00 H new ATOM 897 N ASP A 31 -4.279 7.295 5.029 1.00 0.00 N ATOM 898 CA ASP A 31 -4.360 7.983 6.353 1.00 0.00 C ATOM 899 C ASP A 31 -5.774 8.561 6.553 1.00 0.00 C ATOM 900 O ASP A 31 -6.647 8.395 5.716 1.00 0.00 O ATOM 901 CB ASP A 31 -3.283 9.070 6.339 1.00 0.00 C ATOM 902 CG ASP A 31 -3.786 10.319 5.631 1.00 0.00 C ATOM 903 OD1 ASP A 31 -4.286 10.198 4.524 1.00 0.00 O ATOM 904 OD2 ASP A 31 -3.645 11.383 6.202 1.00 0.00 O ATOM 0 H ASP A 31 -4.034 7.899 4.245 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.186 7.302 7.186 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.995 9.317 7.361 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.390 8.697 5.838 1.00 0.00 H new ATOM 909 N HIS A 32 -6.023 9.175 7.684 1.00 0.00 N ATOM 910 CA HIS A 32 -7.399 9.706 7.989 1.00 0.00 C ATOM 911 C HIS A 32 -8.024 10.522 6.840 1.00 0.00 C ATOM 912 O HIS A 32 -9.234 10.608 6.752 1.00 0.00 O ATOM 913 CB HIS A 32 -7.236 10.579 9.238 1.00 0.00 C ATOM 914 CG HIS A 32 -7.901 9.903 10.403 1.00 0.00 C ATOM 915 ND1 HIS A 32 -9.271 9.691 10.457 1.00 0.00 N ATOM 916 CD2 HIS A 32 -7.395 9.371 11.561 1.00 0.00 C ATOM 917 CE1 HIS A 32 -9.538 9.054 11.612 1.00 0.00 C ATOM 918 NE2 HIS A 32 -8.429 8.834 12.323 1.00 0.00 N ATOM 0 H HIS A 32 -5.331 9.335 8.416 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.085 8.872 8.137 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.179 10.738 9.450 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.679 11.561 9.071 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -6.352 9.369 11.840 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -10.528 8.757 11.926 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -8.355 8.372 13.229 1.00 0.00 H new ATOM 926 N ARG A 33 -7.262 11.095 5.945 1.00 0.00 N ATOM 927 CA ARG A 33 -7.921 11.848 4.816 1.00 0.00 C ATOM 928 C ARG A 33 -8.128 10.921 3.602 1.00 0.00 C ATOM 929 O ARG A 33 -8.436 11.367 2.518 1.00 0.00 O ATOM 930 CB ARG A 33 -7.086 13.095 4.440 1.00 0.00 C ATOM 931 CG ARG A 33 -5.660 13.024 4.967 1.00 0.00 C ATOM 932 CD ARG A 33 -5.608 13.579 6.401 1.00 0.00 C ATOM 933 NE ARG A 33 -5.535 15.055 6.227 1.00 0.00 N ATOM 934 CZ ARG A 33 -4.457 15.700 6.580 1.00 0.00 C ATOM 935 NH1 ARG A 33 -4.278 16.030 7.832 1.00 0.00 N ATOM 936 NH2 ARG A 33 -3.559 16.003 5.682 1.00 0.00 N ATOM 0 H ARG A 33 -6.242 11.081 5.937 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.902 12.191 5.145 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.064 13.200 3.355 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.572 13.986 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.308 11.992 4.953 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.995 13.597 4.321 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.491 13.290 6.971 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.741 13.200 6.942 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.327 15.562 5.832 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -4.980 15.783 8.530 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -3.436 16.534 8.111 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.701 15.736 4.708 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.715 16.507 5.954 1.00 0.00 H new ATOM 950 N GLY A 34 -7.982 9.624 3.780 1.00 0.00 N ATOM 951 CA GLY A 34 -8.185 8.668 2.651 1.00 0.00 C ATOM 952 C GLY A 34 -7.100 8.786 1.582 1.00 0.00 C ATOM 953 O GLY A 34 -7.150 8.096 0.588 1.00 0.00 O ATOM 0 H GLY A 34 -7.729 9.190 4.668 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.198 7.650 3.039 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.159 8.849 2.197 1.00 0.00 H new ATOM 957 N PHE A 35 -6.119 9.618 1.758 1.00 0.00 N ATOM 958 CA PHE A 35 -5.045 9.707 0.723 1.00 0.00 C ATOM 959 C PHE A 35 -4.057 8.553 0.929 1.00 0.00 C ATOM 960 O PHE A 35 -3.852 8.104 2.045 1.00 0.00 O ATOM 961 CB PHE A 35 -4.335 11.039 0.971 1.00 0.00 C ATOM 962 CG PHE A 35 -5.133 12.174 0.369 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.183 12.745 1.097 1.00 0.00 C ATOM 964 CD2 PHE A 35 -4.817 12.667 -0.901 1.00 0.00 C ATOM 965 CE1 PHE A 35 -6.918 13.805 0.553 1.00 0.00 C ATOM 966 CE2 PHE A 35 -5.552 13.727 -1.443 1.00 0.00 C ATOM 967 CZ PHE A 35 -6.603 14.295 -0.712 1.00 0.00 C ATOM 0 H PHE A 35 -6.009 10.236 2.562 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.444 9.647 -0.290 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.211 11.200 2.042 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.337 11.015 0.534 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.426 12.368 2.079 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.005 12.229 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.730 14.243 1.115 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -5.309 14.107 -2.424 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.170 15.114 -1.130 1.00 0.00 H new ATOM 977 N TYR A 36 -3.411 8.096 -0.115 1.00 0.00 N ATOM 978 CA TYR A 36 -2.389 7.009 0.066 1.00 0.00 C ATOM 979 C TYR A 36 -1.258 7.658 0.834 1.00 0.00 C ATOM 980 O TYR A 36 -0.508 8.430 0.269 1.00 0.00 O ATOM 981 CB TYR A 36 -1.909 6.618 -1.341 1.00 0.00 C ATOM 982 CG TYR A 36 -3.071 6.176 -2.197 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.777 7.114 -2.962 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.439 4.830 -2.232 1.00 0.00 C ATOM 985 CE1 TYR A 36 -4.847 6.705 -3.759 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.511 4.419 -3.029 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.214 5.357 -3.793 1.00 0.00 C ATOM 988 OH TYR A 36 -6.275 4.954 -4.570 1.00 0.00 O ATOM 0 H TYR A 36 -3.541 8.420 -1.073 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.762 6.126 0.585 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.408 7.466 -1.809 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.176 5.814 -1.270 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.492 8.155 -2.935 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.895 4.106 -1.643 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.390 7.429 -4.348 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.797 3.378 -3.055 1.00 0.00 H new ATOM 0 HH TYR A 36 -7.115 5.192 -4.125 1.00 0.00 H new ATOM 998 N ARG A 37 -1.164 7.475 2.122 1.00 0.00 N ATOM 999 CA ARG A 37 -0.107 8.251 2.810 1.00 0.00 C ATOM 1000 C ARG A 37 1.295 7.696 2.634 1.00 0.00 C ATOM 1001 O ARG A 37 2.139 8.334 2.028 1.00 0.00 O ATOM 1002 CB ARG A 37 -0.495 8.244 4.284 1.00 0.00 C ATOM 1003 CG ARG A 37 0.298 9.346 4.991 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.626 10.510 5.380 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.382 10.853 4.139 1.00 0.00 N ATOM 1006 CZ ARG A 37 -1.402 12.082 3.714 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -0.377 12.553 3.050 1.00 0.00 N ATOM 1008 NH2 ARG A 37 -2.427 12.841 3.991 1.00 0.00 N ATOM 0 H ARG A 37 -1.738 6.859 2.697 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.057 9.250 2.378 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.566 8.414 4.396 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.278 7.273 4.730 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.778 8.942 5.882 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.092 9.707 4.337 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.303 10.222 6.184 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.051 11.364 5.738 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.881 10.126 3.626 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.431 11.957 2.869 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.386 13.516 2.714 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.204 12.469 4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.451 13.806 3.662 1.00 0.00 H new ATOM 1022 N LYS A 38 1.576 6.560 3.174 1.00 0.00 N ATOM 1023 CA LYS A 38 2.949 6.026 3.035 1.00 0.00 C ATOM 1024 C LYS A 38 3.138 4.902 2.011 1.00 0.00 C ATOM 1025 O LYS A 38 4.084 4.901 1.252 1.00 0.00 O ATOM 1026 CB LYS A 38 3.250 5.495 4.436 1.00 0.00 C ATOM 1027 CG LYS A 38 4.351 4.437 4.366 1.00 0.00 C ATOM 1028 CD LYS A 38 4.023 3.301 5.325 1.00 0.00 C ATOM 1029 CE LYS A 38 5.313 2.615 5.785 1.00 0.00 C ATOM 1030 NZ LYS A 38 5.363 2.837 7.256 1.00 0.00 N ATOM 0 H LYS A 38 0.925 5.979 3.702 1.00 0.00 H new ATOM 0 HA LYS A 38 3.610 6.809 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.561 6.313 5.086 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.348 5.066 4.873 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.439 4.055 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.313 4.880 4.625 1.00 0.00 H new ATOM 0 HD2 LYS A 38 3.479 3.687 6.187 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.371 2.577 4.835 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.301 1.552 5.546 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.185 3.043 5.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 6.220 2.395 7.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 5.380 3.858 7.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.523 2.413 7.700 1.00 0.00 H new ATOM 1044 N ARG A 39 2.339 3.866 2.115 1.00 0.00 N ATOM 1045 CA ARG A 39 2.603 2.652 1.278 1.00 0.00 C ATOM 1046 C ARG A 39 1.500 2.207 0.302 1.00 0.00 C ATOM 1047 O ARG A 39 0.316 2.408 0.496 1.00 0.00 O ATOM 1048 CB ARG A 39 2.883 1.581 2.359 1.00 0.00 C ATOM 1049 CG ARG A 39 2.524 0.166 1.886 1.00 0.00 C ATOM 1050 CD ARG A 39 1.291 -0.338 2.644 1.00 0.00 C ATOM 1051 NE ARG A 39 1.699 -0.406 4.080 1.00 0.00 N ATOM 1052 CZ ARG A 39 2.184 -1.519 4.571 1.00 0.00 C ATOM 1053 NH1 ARG A 39 3.469 -1.760 4.496 1.00 0.00 N ATOM 1054 NH2 ARG A 39 1.385 -2.377 5.140 1.00 0.00 N ATOM 0 H ARG A 39 1.529 3.808 2.732 1.00 0.00 H new ATOM 0 HA ARG A 39 3.410 2.846 0.572 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.937 1.613 2.634 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.312 1.817 3.257 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.327 0.170 0.814 1.00 0.00 H new ATOM 0 HG3 ARG A 39 3.365 -0.507 2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.445 0.336 2.509 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.980 -1.317 2.279 1.00 0.00 H new ATOM 0 HE ARG A 39 1.600 0.415 4.678 1.00 0.00 H new ATOM 0 HH11 ARG A 39 4.090 -1.081 4.056 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.849 -2.626 4.878 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.386 -2.180 5.202 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.759 -3.245 5.524 1.00 0.00 H new ATOM 1068 N GLN A 40 1.947 1.469 -0.681 1.00 0.00 N ATOM 1069 CA GLN A 40 1.078 0.791 -1.684 1.00 0.00 C ATOM 1070 C GLN A 40 1.766 -0.564 -1.893 1.00 0.00 C ATOM 1071 O GLN A 40 2.976 -0.609 -2.010 1.00 0.00 O ATOM 1072 CB GLN A 40 1.115 1.641 -2.958 1.00 0.00 C ATOM 1073 CG GLN A 40 0.119 2.804 -2.840 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.760 2.862 -4.091 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.949 2.617 -4.022 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.232 3.175 -5.238 1.00 0.00 N ATOM 0 H GLN A 40 2.942 1.302 -0.834 1.00 0.00 H new ATOM 0 HA GLN A 40 0.035 0.666 -1.393 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.121 2.028 -3.118 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.868 1.026 -3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -0.502 2.675 -1.954 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.657 3.744 -2.718 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.765 3.381 -5.301 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.815 3.214 -6.074 1.00 0.00 H new ATOM 1085 N CYS A 41 1.076 -1.671 -1.862 1.00 0.00 N ATOM 1086 CA CYS A 41 1.821 -2.969 -1.991 1.00 0.00 C ATOM 1087 C CYS A 41 1.106 -3.985 -2.860 1.00 0.00 C ATOM 1088 O CYS A 41 -0.094 -4.112 -2.807 1.00 0.00 O ATOM 1089 CB CYS A 41 1.882 -3.536 -0.572 1.00 0.00 C ATOM 1090 SG CYS A 41 2.546 -2.307 0.571 1.00 0.00 S ATOM 0 H CYS A 41 0.064 -1.742 -1.757 1.00 0.00 H new ATOM 0 HA CYS A 41 2.791 -2.784 -2.452 1.00 0.00 H new ATOM 0 HB2 CYS A 41 0.885 -3.838 -0.252 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.506 -4.430 -0.557 1.00 0.00 H new ATOM 1095 N ARG A 42 1.857 -4.770 -3.589 1.00 0.00 N ATOM 1096 CA ARG A 42 1.247 -5.861 -4.397 1.00 0.00 C ATOM 1097 C ARG A 42 1.273 -7.107 -3.518 1.00 0.00 C ATOM 1098 O ARG A 42 2.281 -7.396 -2.903 1.00 0.00 O ATOM 1099 CB ARG A 42 2.150 -6.021 -5.623 1.00 0.00 C ATOM 1100 CG ARG A 42 1.806 -4.941 -6.659 1.00 0.00 C ATOM 1101 CD ARG A 42 1.711 -5.572 -8.057 1.00 0.00 C ATOM 1102 NE ARG A 42 3.123 -5.720 -8.512 1.00 0.00 N ATOM 1103 CZ ARG A 42 3.446 -5.437 -9.750 1.00 0.00 C ATOM 1104 NH1 ARG A 42 3.219 -4.239 -10.224 1.00 0.00 N ATOM 1105 NH2 ARG A 42 3.989 -6.360 -10.502 1.00 0.00 N ATOM 0 H ARG A 42 2.872 -4.699 -3.658 1.00 0.00 H new ATOM 0 HA ARG A 42 0.223 -5.671 -4.718 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.197 -5.938 -5.330 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.018 -7.012 -6.058 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.861 -4.464 -6.400 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.568 -4.162 -6.653 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.205 -6.537 -8.021 1.00 0.00 H new ATOM 0 HD3 ARG A 42 1.142 -4.939 -8.738 1.00 0.00 H new ATOM 0 HE ARG A 42 3.838 -6.042 -7.859 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.792 -3.528 -9.630 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.469 -4.016 -11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.158 -7.292 -10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.243 -6.148 -11.467 1.00 0.00 H new ATOM 1119 N SER A 43 0.182 -7.809 -3.397 1.00 0.00 N ATOM 1120 CA SER A 43 0.170 -9.000 -2.488 1.00 0.00 C ATOM 1121 C SER A 43 0.050 -10.313 -3.263 1.00 0.00 C ATOM 1122 O SER A 43 -0.678 -10.414 -4.236 1.00 0.00 O ATOM 1123 CB SER A 43 -1.054 -8.812 -1.589 1.00 0.00 C ATOM 1124 OG SER A 43 -1.280 -7.423 -1.357 1.00 0.00 O ATOM 0 H SER A 43 -0.696 -7.617 -3.880 1.00 0.00 H new ATOM 0 HA SER A 43 1.101 -9.063 -1.925 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.931 -9.258 -2.057 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.902 -9.327 -0.641 1.00 0.00 H new ATOM 0 HG SER A 43 -1.802 -7.048 -2.097 1.00 0.00 H new ATOM 1251 N CYS A 52 6.162 -4.113 -0.734 1.00 0.00 N ATOM 1252 CA CYS A 52 5.537 -2.798 -0.400 1.00 0.00 C ATOM 1253 C CYS A 52 6.417 -1.652 -0.904 1.00 0.00 C ATOM 1254 O CYS A 52 7.629 -1.734 -0.852 1.00 0.00 O ATOM 1255 CB CYS A 52 5.469 -2.753 1.126 1.00 0.00 C ATOM 1256 SG CYS A 52 3.858 -3.355 1.685 1.00 0.00 S ATOM 0 HA CYS A 52 4.555 -2.692 -0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.264 -3.364 1.553 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.628 -1.733 1.476 1.00 0.00 H new ATOM 1261 N TRP A 53 5.834 -0.568 -1.328 1.00 0.00 N ATOM 1262 CA TRP A 53 6.659 0.605 -1.772 1.00 0.00 C ATOM 1263 C TRP A 53 6.031 1.905 -1.247 1.00 0.00 C ATOM 1264 O TRP A 53 4.848 1.954 -0.950 1.00 0.00 O ATOM 1265 CB TRP A 53 6.721 0.546 -3.311 1.00 0.00 C ATOM 1266 CG TRP A 53 5.381 0.797 -3.933 1.00 0.00 C ATOM 1267 CD1 TRP A 53 4.833 2.016 -4.140 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.418 -0.176 -4.447 1.00 0.00 C ATOM 1269 NE1 TRP A 53 3.606 1.855 -4.759 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.301 0.523 -4.961 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.407 -1.585 -4.513 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.215 -0.146 -5.525 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.311 -2.260 -5.077 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.216 -1.543 -5.578 1.00 0.00 C ATOM 0 H TRP A 53 4.824 -0.436 -1.389 1.00 0.00 H new ATOM 0 HA TRP A 53 7.673 0.576 -1.373 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.434 1.286 -3.674 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.089 -0.432 -3.623 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.280 2.960 -3.867 1.00 0.00 H new ATOM 0 HE1 TRP A 53 2.999 2.628 -5.033 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.245 -2.148 -4.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 1.378 0.412 -5.919 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.313 -3.339 -5.125 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.374 -2.069 -6.004 1.00 0.00 H new ATOM 1285 N CYS A 54 6.821 2.937 -1.094 1.00 0.00 N ATOM 1286 CA CYS A 54 6.276 4.221 -0.548 1.00 0.00 C ATOM 1287 C CYS A 54 5.528 4.988 -1.639 1.00 0.00 C ATOM 1288 O CYS A 54 5.811 4.843 -2.816 1.00 0.00 O ATOM 1289 CB CYS A 54 7.490 5.019 -0.056 1.00 0.00 C ATOM 1290 SG CYS A 54 7.407 5.199 1.750 1.00 0.00 S ATOM 0 H CYS A 54 7.815 2.949 -1.322 1.00 0.00 H new ATOM 0 HA CYS A 54 5.565 4.045 0.260 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.412 4.511 -0.339 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.509 6.001 -0.529 1.00 0.00 H new ATOM 0 HG CYS A 54 6.165 5.170 2.132 1.00 0.00 H new ATOM 1295 N VAL A 55 4.564 5.788 -1.260 1.00 0.00 N ATOM 1296 CA VAL A 55 3.778 6.554 -2.286 1.00 0.00 C ATOM 1297 C VAL A 55 3.441 7.968 -1.803 1.00 0.00 C ATOM 1298 O VAL A 55 3.576 8.280 -0.633 1.00 0.00 O ATOM 1299 CB VAL A 55 2.486 5.755 -2.501 1.00 0.00 C ATOM 1300 CG1 VAL A 55 2.810 4.457 -3.225 1.00 0.00 C ATOM 1301 CG2 VAL A 55 1.832 5.430 -1.154 1.00 0.00 C ATOM 0 H VAL A 55 4.285 5.946 -0.292 1.00 0.00 H new ATOM 0 HA VAL A 55 4.355 6.669 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 55 1.797 6.353 -3.097 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.893 3.888 -3.379 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.264 4.682 -4.190 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.506 3.870 -2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.916 4.863 -1.322 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.519 4.839 -0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.594 6.357 -0.632 1.00 0.00 H new ATOM 1311 N ASP A 56 2.988 8.817 -2.698 1.00 0.00 N ATOM 1312 CA ASP A 56 2.614 10.197 -2.296 1.00 0.00 C ATOM 1313 C ASP A 56 1.125 10.203 -1.942 1.00 0.00 C ATOM 1314 O ASP A 56 0.458 9.192 -2.022 1.00 0.00 O ATOM 1315 CB ASP A 56 2.920 11.112 -3.497 1.00 0.00 C ATOM 1316 CG ASP A 56 1.692 11.274 -4.388 1.00 0.00 C ATOM 1317 OD1 ASP A 56 1.254 10.297 -4.961 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.202 12.386 -4.483 1.00 0.00 O ATOM 0 H ASP A 56 2.864 8.606 -3.688 1.00 0.00 H new ATOM 0 HA ASP A 56 3.169 10.549 -1.426 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.246 12.089 -3.141 1.00 0.00 H new ATOM 0 HB3 ASP A 56 3.742 10.693 -4.077 1.00 0.00 H new ATOM 1323 N ARG A 57 0.613 11.322 -1.545 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.836 11.408 -1.153 1.00 0.00 C ATOM 1325 C ARG A 57 -1.762 10.853 -2.249 1.00 0.00 C ATOM 1326 O ARG A 57 -2.834 10.342 -1.964 1.00 0.00 O ATOM 1327 CB ARG A 57 -1.109 12.901 -0.909 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.838 13.713 -2.183 1.00 0.00 C ATOM 1329 CD ARG A 57 0.218 14.789 -1.906 1.00 0.00 C ATOM 1330 NE ARG A 57 1.483 14.249 -2.478 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.626 14.595 -1.954 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.910 14.246 -0.726 1.00 0.00 N ATOM 1333 NH2 ARG A 57 3.475 15.295 -2.653 1.00 0.00 N ATOM 0 H ARG A 57 1.130 12.198 -1.470 1.00 0.00 H new ATOM 0 HA ARG A 57 -1.036 10.806 -0.267 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -2.143 13.041 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.478 13.264 -0.098 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -0.495 13.052 -2.979 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.760 14.178 -2.530 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.053 15.736 -2.373 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.318 14.977 -0.837 1.00 0.00 H new ATOM 0 HE ARG A 57 1.455 13.613 -3.275 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.238 13.705 -0.181 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.803 14.515 -0.313 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.245 15.571 -3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.370 15.567 -2.245 1.00 0.00 H new ATOM 1347 N MET A 58 -1.369 10.947 -3.492 1.00 0.00 N ATOM 1348 CA MET A 58 -2.232 10.427 -4.599 1.00 0.00 C ATOM 1349 C MET A 58 -1.988 8.933 -4.821 1.00 0.00 C ATOM 1350 O MET A 58 -2.773 8.265 -5.464 1.00 0.00 O ATOM 1351 CB MET A 58 -1.832 11.219 -5.845 1.00 0.00 C ATOM 1352 CG MET A 58 -1.770 12.715 -5.518 1.00 0.00 C ATOM 1353 SD MET A 58 -3.296 13.519 -6.065 1.00 0.00 S ATOM 1354 CE MET A 58 -4.281 13.181 -4.583 1.00 0.00 C ATOM 0 H MET A 58 -0.486 11.362 -3.791 1.00 0.00 H new ATOM 0 HA MET A 58 -3.290 10.545 -4.365 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.863 10.877 -6.207 1.00 0.00 H new ATOM 0 HB3 MET A 58 -2.552 11.043 -6.645 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.636 12.858 -4.446 1.00 0.00 H new ATOM 0 HG3 MET A 58 -0.911 13.170 -6.010 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.978 14.002 -4.414 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.839 12.254 -4.720 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.620 13.083 -3.722 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.917 8.401 -4.293 1.00 0.00 N ATOM 1365 CA GLY A 59 -0.636 6.946 -4.473 1.00 0.00 C ATOM 1366 C GLY A 59 0.513 6.731 -5.466 1.00 0.00 C ATOM 1367 O GLY A 59 0.810 5.609 -5.834 1.00 0.00 O ATOM 0 H GLY A 59 -0.225 8.911 -3.745 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -0.381 6.499 -3.512 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -1.532 6.440 -4.832 1.00 0.00 H new ATOM 1371 N LYS A 60 1.174 7.779 -5.896 1.00 0.00 N ATOM 1372 CA LYS A 60 2.297 7.614 -6.841 1.00 0.00 C ATOM 1373 C LYS A 60 3.474 6.961 -6.116 1.00 0.00 C ATOM 1374 O LYS A 60 3.880 7.402 -5.057 1.00 0.00 O ATOM 1375 CB LYS A 60 2.635 9.037 -7.272 1.00 0.00 C ATOM 1376 CG LYS A 60 3.737 8.985 -8.308 1.00 0.00 C ATOM 1377 CD LYS A 60 4.666 10.176 -8.113 1.00 0.00 C ATOM 1378 CE LYS A 60 5.058 10.770 -9.479 1.00 0.00 C ATOM 1379 NZ LYS A 60 3.785 11.229 -10.098 1.00 0.00 N ATOM 0 H LYS A 60 0.975 8.742 -5.625 1.00 0.00 H new ATOM 0 HA LYS A 60 2.060 6.979 -7.695 1.00 0.00 H new ATOM 0 HB2 LYS A 60 1.752 9.526 -7.684 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.953 9.626 -6.412 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.296 8.054 -8.215 1.00 0.00 H new ATOM 0 HG3 LYS A 60 3.310 9.002 -9.311 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.174 10.935 -7.505 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.560 9.865 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.757 11.598 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS A 60 5.551 10.025 -10.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 3.949 12.121 -10.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 3.443 10.507 -10.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 3.073 11.380 -9.355 1.00 0.00 H new ATOM 1393 N SER A 61 4.012 5.909 -6.668 1.00 0.00 N ATOM 1394 CA SER A 61 5.154 5.207 -6.001 1.00 0.00 C ATOM 1395 C SER A 61 6.383 6.123 -5.908 1.00 0.00 C ATOM 1396 O SER A 61 7.064 6.372 -6.892 1.00 0.00 O ATOM 1397 CB SER A 61 5.440 3.991 -6.887 1.00 0.00 C ATOM 1398 OG SER A 61 4.210 3.355 -7.224 1.00 0.00 O ATOM 0 H SER A 61 3.712 5.501 -7.554 1.00 0.00 H new ATOM 0 HA SER A 61 4.916 4.919 -4.977 1.00 0.00 H new ATOM 0 HB2 SER A 61 5.963 4.301 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 61 6.093 3.292 -6.365 1.00 0.00 H new ATOM 0 HG SER A 61 3.955 2.736 -6.509 1.00 0.00 H new ATOM 1404 N LEU A 62 6.677 6.615 -4.729 1.00 0.00 N ATOM 1405 CA LEU A 62 7.873 7.493 -4.559 1.00 0.00 C ATOM 1406 C LEU A 62 9.080 6.628 -4.186 1.00 0.00 C ATOM 1407 O LEU A 62 9.007 5.855 -3.246 1.00 0.00 O ATOM 1408 CB LEU A 62 7.556 8.451 -3.398 1.00 0.00 C ATOM 1409 CG LEU A 62 6.318 9.315 -3.693 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.454 10.644 -2.951 1.00 0.00 C ATOM 1411 CD2 LEU A 62 6.189 9.600 -5.191 1.00 0.00 C ATOM 0 H LEU A 62 6.140 6.446 -3.879 1.00 0.00 H new ATOM 0 HA LEU A 62 8.099 8.041 -5.474 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.389 7.876 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.415 9.097 -3.215 1.00 0.00 H new ATOM 0 HG LEU A 62 5.431 8.774 -3.363 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.581 11.265 -3.153 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.526 10.457 -1.880 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.352 11.160 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.305 10.212 -5.370 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.075 10.131 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 62 6.094 8.659 -5.734 1.00 0.00 H new