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 149:sc= 0.561 USER MOD Set 1.2: A 40 GLN : amide:sc= -1.78 K(o=-1.2,f=-3.7!) USER MOD Set 2.1: A 6 HIS : no HD1:sc= 0.87 K(o=2,f=-10!) USER MOD Set 2.2: A 36 TYR OH : rot -22:sc= 1.08 USER MOD Single : A 1 GLY N :NH3+ 168:sc= -2.1 (180deg=-2.32!) USER MOD Single : A 9 SER OG : rot 101:sc= 1.22 USER MOD Single : A 12 GLN : amide:sc= -0.054 X(o=-0.054,f=0) USER MOD Single : A 13 GLN : amide:sc= -0.0176 X(o=-0.018,f=0) 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 -34:sc= 0.881 USER MOD Single : A 29 ASN : amide:sc= -3.2! C(o=-3.2!,f=-5.9!) USER MOD Single : A 32 HIS : no HE2:sc= -3.7! C(o=-3.7!,f=-6.8!) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= 0 (180deg=-0.2) USER MOD Single : A 43 SER OG : rot 84:sc= 1.22 USER MOD Single : A 54 CYS SG : rot 180:sc= -0.0758 USER MOD Single : A 58 MET CE :methyl -178:sc= -0.352 (180deg=-0.368) USER MOD Single : A 60 LYS NZ :NH3+ 152:sc= -0.515 (180deg=-2.11!) USER MOD Single : A 61 SER OG : rot 180:sc= 0.136 USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.320 9.527 -0.690 1.00 0.00 N ATOM 423 CA GLY A 1 -10.238 9.775 -1.694 1.00 0.00 C ATOM 424 C GLY A 1 -10.053 8.531 -2.573 1.00 0.00 C ATOM 425 O GLY A 1 -10.800 7.581 -2.454 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.307 10.280 0.027 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.243 9.521 -1.169 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.162 8.608 -0.230 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.493 10.635 -2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.304 10.015 -1.185 1.00 0.00 H new ATOM 429 N PRO A 2 -9.058 8.571 -3.432 1.00 0.00 N ATOM 430 CA PRO A 2 -8.785 7.430 -4.352 1.00 0.00 C ATOM 431 C PRO A 2 -8.454 6.148 -3.583 1.00 0.00 C ATOM 432 O PRO A 2 -9.049 5.112 -3.812 1.00 0.00 O ATOM 433 CB PRO A 2 -7.600 7.917 -5.190 1.00 0.00 C ATOM 434 CG PRO A 2 -6.958 8.974 -4.355 1.00 0.00 C ATOM 435 CD PRO A 2 -8.081 9.655 -3.619 1.00 0.00 C ATOM 0 HA PRO A 2 -9.648 7.167 -4.964 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -6.905 7.105 -5.404 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -7.930 8.316 -6.149 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -6.241 8.540 -3.658 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -6.410 9.683 -4.975 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.748 10.067 -2.666 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.499 10.481 -4.195 1.00 0.00 H new ATOM 443 N CYS A 3 -7.524 6.202 -2.665 1.00 0.00 N ATOM 444 CA CYS A 3 -7.189 4.970 -1.890 1.00 0.00 C ATOM 445 C CYS A 3 -8.439 4.485 -1.150 1.00 0.00 C ATOM 446 O CYS A 3 -8.675 3.297 -1.053 1.00 0.00 O ATOM 447 CB CYS A 3 -6.072 5.368 -0.918 1.00 0.00 C ATOM 448 SG CYS A 3 -5.786 4.035 0.265 1.00 0.00 S ATOM 0 H CYS A 3 -6.988 7.035 -2.420 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.856 4.151 -2.528 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.156 5.580 -1.470 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.345 6.282 -0.391 1.00 0.00 H new ATOM 453 N ARG A 4 -9.256 5.388 -0.645 1.00 0.00 N ATOM 454 CA ARG A 4 -10.502 4.949 0.064 1.00 0.00 C ATOM 455 C ARG A 4 -11.324 4.039 -0.856 1.00 0.00 C ATOM 456 O ARG A 4 -11.773 2.982 -0.451 1.00 0.00 O ATOM 457 CB ARG A 4 -11.279 6.236 0.369 1.00 0.00 C ATOM 458 CG ARG A 4 -12.377 5.951 1.405 1.00 0.00 C ATOM 459 CD ARG A 4 -13.525 5.173 0.751 1.00 0.00 C ATOM 460 NE ARG A 4 -14.774 5.694 1.385 1.00 0.00 N ATOM 461 CZ ARG A 4 -15.142 5.262 2.564 1.00 0.00 C ATOM 462 NH1 ARG A 4 -15.483 4.008 2.718 1.00 0.00 N ATOM 463 NH2 ARG A 4 -15.168 6.082 3.582 1.00 0.00 N ATOM 0 H ARG A 4 -9.114 6.397 -0.694 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.282 4.389 0.973 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.600 7.000 0.747 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.723 6.628 -0.546 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -11.965 5.378 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -12.751 6.888 1.818 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -13.539 5.327 -0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -13.418 4.101 0.918 1.00 0.00 H new ATOM 0 HE ARG A 4 -15.341 6.388 0.898 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -15.461 3.372 1.921 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -15.771 3.667 3.635 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.901 7.059 3.457 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -15.455 5.745 4.501 1.00 0.00 H new ATOM 477 N ARG A 5 -11.514 4.436 -2.091 1.00 0.00 N ATOM 478 CA ARG A 5 -12.297 3.582 -3.041 1.00 0.00 C ATOM 479 C ARG A 5 -11.508 2.313 -3.339 1.00 0.00 C ATOM 480 O ARG A 5 -12.044 1.218 -3.351 1.00 0.00 O ATOM 481 CB ARG A 5 -12.470 4.424 -4.307 1.00 0.00 C ATOM 482 CG ARG A 5 -13.253 5.692 -3.973 1.00 0.00 C ATOM 483 CD ARG A 5 -12.532 6.901 -4.572 1.00 0.00 C ATOM 484 NE ARG A 5 -12.735 6.800 -6.045 1.00 0.00 N ATOM 485 CZ ARG A 5 -13.329 7.774 -6.681 1.00 0.00 C ATOM 486 NH1 ARG A 5 -12.628 8.794 -7.087 1.00 0.00 N ATOM 487 NH2 ARG A 5 -14.616 7.719 -6.902 1.00 0.00 N ATOM 0 H ARG A 5 -11.163 5.310 -2.482 1.00 0.00 H new ATOM 0 HA ARG A 5 -13.264 3.282 -2.636 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -11.495 4.684 -4.720 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -12.996 3.849 -5.070 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.266 5.624 -4.371 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.342 5.805 -2.893 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -12.941 7.833 -4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -11.471 6.889 -4.321 1.00 0.00 H new ATOM 0 HE ARG A 5 -12.412 5.976 -6.553 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -11.624 8.827 -6.907 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.083 9.560 -7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -15.155 6.916 -6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -15.081 8.479 -7.399 1.00 0.00 H new ATOM 501 N HIS A 6 -10.229 2.452 -3.561 1.00 0.00 N ATOM 502 CA HIS A 6 -9.384 1.259 -3.830 1.00 0.00 C ATOM 503 C HIS A 6 -9.464 0.313 -2.628 1.00 0.00 C ATOM 504 O HIS A 6 -9.609 -0.886 -2.777 1.00 0.00 O ATOM 505 CB HIS A 6 -7.960 1.806 -3.993 1.00 0.00 C ATOM 506 CG HIS A 6 -7.287 1.146 -5.164 1.00 0.00 C ATOM 507 ND1 HIS A 6 -6.321 1.795 -5.919 1.00 0.00 N ATOM 508 CD2 HIS A 6 -7.424 -0.103 -5.721 1.00 0.00 C ATOM 509 CE1 HIS A 6 -5.918 0.940 -6.879 1.00 0.00 C ATOM 510 NE2 HIS A 6 -6.558 -0.231 -6.802 1.00 0.00 N ATOM 0 H HIS A 6 -9.734 3.344 -3.567 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.700 0.703 -4.713 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.991 2.885 -4.142 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -7.386 1.626 -3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.101 -0.869 -5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -5.169 1.173 -7.621 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -6.437 -1.044 -7.406 1.00 0.00 H new ATOM 518 N LEU A 7 -9.393 0.855 -1.439 1.00 0.00 N ATOM 519 CA LEU A 7 -9.477 0.010 -0.216 1.00 0.00 C ATOM 520 C LEU A 7 -10.861 -0.629 -0.123 1.00 0.00 C ATOM 521 O LEU A 7 -10.989 -1.818 0.071 1.00 0.00 O ATOM 522 CB LEU A 7 -9.261 0.977 0.956 1.00 0.00 C ATOM 523 CG LEU A 7 -8.117 0.473 1.837 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.816 1.498 2.933 1.00 0.00 C ATOM 525 CD2 LEU A 7 -8.523 -0.850 2.477 1.00 0.00 C ATOM 0 H LEU A 7 -9.280 1.854 -1.265 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.743 -0.796 -0.219 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.031 1.974 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.175 1.061 1.544 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.225 0.330 1.227 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -7.000 1.134 3.558 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.528 2.445 2.476 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.705 1.646 3.547 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -7.711 -1.214 3.106 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -9.415 -0.701 3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.734 -1.582 1.697 1.00 0.00 H new ATOM 537 N ASP A 8 -11.893 0.161 -0.267 1.00 0.00 N ATOM 538 CA ASP A 8 -13.289 -0.377 -0.190 1.00 0.00 C ATOM 539 C ASP A 8 -13.468 -1.519 -1.194 1.00 0.00 C ATOM 540 O ASP A 8 -14.032 -2.554 -0.888 1.00 0.00 O ATOM 541 CB ASP A 8 -14.189 0.806 -0.572 1.00 0.00 C ATOM 542 CG ASP A 8 -15.375 0.894 0.379 1.00 0.00 C ATOM 543 OD1 ASP A 8 -16.293 0.118 0.215 1.00 0.00 O ATOM 544 OD2 ASP A 8 -15.354 1.747 1.247 1.00 0.00 O ATOM 0 H ASP A 8 -11.830 1.165 -0.436 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.525 -0.774 0.797 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.617 1.733 -0.538 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.543 0.687 -1.596 1.00 0.00 H new ATOM 549 N SER A 9 -12.982 -1.325 -2.385 1.00 0.00 N ATOM 550 CA SER A 9 -13.094 -2.368 -3.440 1.00 0.00 C ATOM 551 C SER A 9 -12.221 -3.570 -3.085 1.00 0.00 C ATOM 552 O SER A 9 -12.689 -4.689 -3.061 1.00 0.00 O ATOM 553 CB SER A 9 -12.589 -1.702 -4.721 1.00 0.00 C ATOM 554 OG SER A 9 -13.268 -0.460 -4.913 1.00 0.00 O ATOM 0 H SER A 9 -12.503 -0.473 -2.678 1.00 0.00 H new ATOM 0 HA SER A 9 -14.115 -2.733 -3.549 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.514 -1.534 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.759 -2.357 -5.575 1.00 0.00 H new ATOM 0 HG SER A 9 -12.686 0.277 -4.634 1.00 0.00 H new ATOM 560 N VAL A 10 -10.959 -3.351 -2.816 1.00 0.00 N ATOM 561 CA VAL A 10 -10.061 -4.495 -2.470 1.00 0.00 C ATOM 562 C VAL A 10 -10.577 -5.199 -1.213 1.00 0.00 C ATOM 563 O VAL A 10 -10.645 -6.408 -1.161 1.00 0.00 O ATOM 564 CB VAL A 10 -8.682 -3.872 -2.222 1.00 0.00 C ATOM 565 CG1 VAL A 10 -7.710 -4.934 -1.700 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.134 -3.293 -3.529 1.00 0.00 C ATOM 0 H VAL A 10 -10.513 -2.434 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.020 -5.244 -3.261 1.00 0.00 H new ATOM 0 HB VAL A 10 -8.785 -3.079 -1.481 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -6.734 -4.480 -1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.089 -5.346 -0.765 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.614 -5.732 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.154 -2.851 -3.349 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.043 -4.088 -4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -8.814 -2.527 -3.901 1.00 0.00 H new ATOM 576 N LEU A 11 -10.949 -4.453 -0.209 1.00 0.00 N ATOM 577 CA LEU A 11 -11.466 -5.087 1.039 1.00 0.00 C ATOM 578 C LEU A 11 -12.675 -5.947 0.713 1.00 0.00 C ATOM 579 O LEU A 11 -12.761 -7.096 1.101 1.00 0.00 O ATOM 580 CB LEU A 11 -11.906 -3.922 1.917 1.00 0.00 C ATOM 581 CG LEU A 11 -10.850 -3.606 2.969 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.010 -4.547 4.160 1.00 0.00 C ATOM 583 CD2 LEU A 11 -9.443 -3.770 2.389 1.00 0.00 C ATOM 0 H LEU A 11 -10.918 -3.434 -0.198 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.719 -5.718 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -12.084 -3.042 1.299 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.850 -4.165 2.405 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.985 -2.573 3.290 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.253 -4.317 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -12.001 -4.419 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.890 -5.578 3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.704 -3.540 3.156 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.306 -4.797 2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.315 -3.090 1.547 1.00 0.00 H new ATOM 595 N GLN A 12 -13.624 -5.393 0.018 1.00 0.00 N ATOM 596 CA GLN A 12 -14.844 -6.192 -0.318 1.00 0.00 C ATOM 597 C GLN A 12 -14.508 -7.307 -1.325 1.00 0.00 C ATOM 598 O GLN A 12 -14.955 -8.431 -1.185 1.00 0.00 O ATOM 599 CB GLN A 12 -15.829 -5.193 -0.929 1.00 0.00 C ATOM 600 CG GLN A 12 -16.487 -4.389 0.192 1.00 0.00 C ATOM 601 CD GLN A 12 -17.599 -3.520 -0.389 1.00 0.00 C ATOM 602 OE1 GLN A 12 -18.747 -3.919 -0.413 1.00 0.00 O ATOM 603 NE2 GLN A 12 -17.310 -2.347 -0.869 1.00 0.00 N ATOM 0 H GLN A 12 -13.615 -4.435 -0.331 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.258 -6.683 0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.309 -4.525 -1.616 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.587 -5.719 -1.509 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.894 -5.062 0.946 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.745 -3.764 0.689 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.347 -2.011 -0.849 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.046 -1.763 -1.265 1.00 0.00 H new ATOM 612 N GLN A 13 -13.749 -6.995 -2.343 1.00 0.00 N ATOM 613 CA GLN A 13 -13.392 -8.017 -3.384 1.00 0.00 C ATOM 614 C GLN A 13 -12.363 -9.057 -2.898 1.00 0.00 C ATOM 615 O GLN A 13 -12.358 -10.164 -3.376 1.00 0.00 O ATOM 616 CB GLN A 13 -12.800 -7.228 -4.558 1.00 0.00 C ATOM 617 CG GLN A 13 -13.917 -6.784 -5.507 1.00 0.00 C ATOM 618 CD GLN A 13 -13.358 -5.763 -6.502 1.00 0.00 C ATOM 619 OE1 GLN A 13 -12.419 -6.048 -7.226 1.00 0.00 O ATOM 620 NE2 GLN A 13 -13.887 -4.574 -6.568 1.00 0.00 N ATOM 0 H GLN A 13 -13.355 -6.068 -2.503 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.283 -8.586 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -12.260 -6.357 -4.186 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -12.079 -7.845 -5.095 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -14.321 -7.645 -6.040 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.738 -6.345 -4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -14.673 -4.331 -5.964 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -13.516 -3.886 -7.223 1.00 0.00 H new ATOM 629 N LEU A 14 -11.444 -8.703 -2.032 1.00 0.00 N ATOM 630 CA LEU A 14 -10.362 -9.679 -1.636 1.00 0.00 C ATOM 631 C LEU A 14 -10.875 -11.071 -1.224 1.00 0.00 C ATOM 632 O LEU A 14 -10.236 -12.062 -1.529 1.00 0.00 O ATOM 633 CB LEU A 14 -9.586 -9.016 -0.486 1.00 0.00 C ATOM 634 CG LEU A 14 -10.433 -8.975 0.781 1.00 0.00 C ATOM 635 CD1 LEU A 14 -10.273 -10.284 1.560 1.00 0.00 C ATOM 636 CD2 LEU A 14 -9.966 -7.818 1.662 1.00 0.00 C ATOM 0 H LEU A 14 -11.390 -7.789 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.734 -9.879 -2.504 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.665 -9.567 -0.296 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.299 -8.004 -0.770 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.479 -8.841 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.881 -10.246 2.464 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -10.597 -11.119 0.939 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -9.226 -10.420 1.833 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.569 -7.785 2.569 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.919 -7.963 1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.076 -6.879 1.119 1.00 0.00 H new ATOM 648 N GLN A 15 -11.976 -11.189 -0.529 1.00 0.00 N ATOM 649 CA GLN A 15 -12.427 -12.565 -0.127 1.00 0.00 C ATOM 650 C GLN A 15 -13.117 -13.304 -1.282 1.00 0.00 C ATOM 651 O GLN A 15 -13.143 -14.518 -1.316 1.00 0.00 O ATOM 652 CB GLN A 15 -13.363 -12.382 1.070 1.00 0.00 C ATOM 653 CG GLN A 15 -12.680 -12.920 2.335 1.00 0.00 C ATOM 654 CD GLN A 15 -13.740 -13.303 3.370 1.00 0.00 C ATOM 655 OE1 GLN A 15 -14.586 -12.501 3.707 1.00 0.00 O ATOM 656 NE2 GLN A 15 -13.732 -14.497 3.888 1.00 0.00 N ATOM 0 H GLN A 15 -12.572 -10.419 -0.226 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.573 -13.187 0.140 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.609 -11.328 1.196 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -14.301 -12.910 0.897 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -12.068 -13.788 2.089 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.011 -12.165 2.748 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -13.021 -15.171 3.605 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.437 -14.759 4.577 1.00 0.00 H new ATOM 665 N THR A 16 -13.645 -12.594 -2.231 1.00 0.00 N ATOM 666 CA THR A 16 -14.298 -13.241 -3.395 1.00 0.00 C ATOM 667 C THR A 16 -13.269 -13.277 -4.522 1.00 0.00 C ATOM 668 O THR A 16 -13.109 -14.260 -5.225 1.00 0.00 O ATOM 669 CB THR A 16 -15.455 -12.302 -3.736 1.00 0.00 C ATOM 670 OG1 THR A 16 -16.510 -12.465 -2.787 1.00 0.00 O ATOM 671 CG2 THR A 16 -15.968 -12.603 -5.139 1.00 0.00 C ATOM 0 H THR A 16 -13.652 -11.574 -2.250 1.00 0.00 H new ATOM 0 HA THR A 16 -14.652 -14.257 -3.220 1.00 0.00 H new ATOM 0 HB THR A 16 -15.101 -11.272 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 16 -17.247 -11.859 -3.010 1.00 0.00 H new ATOM 0 HG21 THR A 16 -16.793 -11.931 -5.377 1.00 0.00 H new ATOM 0 HG22 THR A 16 -15.163 -12.459 -5.860 1.00 0.00 H new ATOM 0 HG23 THR A 16 -16.316 -13.635 -5.186 1.00 0.00 H new ATOM 679 N GLU A 17 -12.538 -12.207 -4.644 1.00 0.00 N ATOM 680 CA GLU A 17 -11.462 -12.118 -5.654 1.00 0.00 C ATOM 681 C GLU A 17 -10.186 -12.558 -4.960 1.00 0.00 C ATOM 682 O GLU A 17 -9.263 -11.791 -4.769 1.00 0.00 O ATOM 683 CB GLU A 17 -11.399 -10.646 -6.084 1.00 0.00 C ATOM 684 CG GLU A 17 -12.798 -10.165 -6.505 1.00 0.00 C ATOM 685 CD GLU A 17 -13.113 -10.670 -7.908 1.00 0.00 C ATOM 686 OE1 GLU A 17 -12.698 -10.033 -8.857 1.00 0.00 O ATOM 687 OE2 GLU A 17 -13.761 -11.694 -8.012 1.00 0.00 O ATOM 0 H GLU A 17 -12.648 -11.372 -4.069 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.620 -12.741 -6.534 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.026 -10.034 -5.263 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -10.700 -10.529 -6.912 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.546 -10.529 -5.800 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -12.841 -9.076 -6.482 1.00 0.00 H new ATOM 789 N THR A 24 -1.697 -10.947 -7.876 1.00 0.00 N ATOM 790 CA THR A 24 -0.866 -9.691 -8.033 1.00 0.00 C ATOM 791 C THR A 24 -1.676 -8.434 -7.733 1.00 0.00 C ATOM 792 O THR A 24 -1.504 -7.405 -8.366 1.00 0.00 O ATOM 793 CB THR A 24 -0.373 -9.659 -9.466 1.00 0.00 C ATOM 794 OG1 THR A 24 -1.121 -10.564 -10.289 1.00 0.00 O ATOM 795 CG2 THR A 24 1.096 -10.035 -9.444 1.00 0.00 C ATOM 0 HA THR A 24 -0.038 -9.708 -7.325 1.00 0.00 H new ATOM 0 HB THR A 24 -0.507 -8.665 -9.892 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.376 -11.350 -9.762 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.490 -10.024 -10.460 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.646 -9.319 -8.834 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.210 -11.034 -9.022 1.00 0.00 H new ATOM 803 N LEU A 25 -2.566 -8.507 -6.810 1.00 0.00 N ATOM 804 CA LEU A 25 -3.415 -7.318 -6.519 1.00 0.00 C ATOM 805 C LEU A 25 -2.768 -6.416 -5.484 1.00 0.00 C ATOM 806 O LEU A 25 -1.877 -6.804 -4.759 1.00 0.00 O ATOM 807 CB LEU A 25 -4.776 -7.836 -6.053 1.00 0.00 C ATOM 808 CG LEU A 25 -5.834 -7.585 -7.151 1.00 0.00 C ATOM 809 CD1 LEU A 25 -7.234 -7.868 -6.610 1.00 0.00 C ATOM 810 CD2 LEU A 25 -5.784 -6.126 -7.612 1.00 0.00 C ATOM 0 H LEU A 25 -2.753 -9.331 -6.238 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.535 -6.705 -7.413 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.714 -8.901 -5.832 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.070 -7.335 -5.130 1.00 0.00 H new ATOM 0 HG LEU A 25 -5.616 -8.248 -7.988 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.970 -7.687 -7.393 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -7.296 -8.907 -6.286 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.436 -7.212 -5.764 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.534 -5.963 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -5.987 -5.470 -6.766 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -4.795 -5.905 -8.014 1.00 0.00 H new ATOM 822 N TYR A 26 -3.187 -5.198 -5.476 1.00 0.00 N ATOM 823 CA TYR A 26 -2.594 -4.174 -4.569 1.00 0.00 C ATOM 824 C TYR A 26 -3.535 -3.763 -3.417 1.00 0.00 C ATOM 825 O TYR A 26 -4.719 -3.551 -3.604 1.00 0.00 O ATOM 826 CB TYR A 26 -2.331 -2.991 -5.511 1.00 0.00 C ATOM 827 CG TYR A 26 -2.171 -1.725 -4.722 1.00 0.00 C ATOM 828 CD1 TYR A 26 -0.961 -1.448 -4.091 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.240 -0.836 -4.619 1.00 0.00 C ATOM 830 CE1 TYR A 26 -0.817 -0.273 -3.351 1.00 0.00 C ATOM 831 CE2 TYR A 26 -3.100 0.337 -3.877 1.00 0.00 C ATOM 832 CZ TYR A 26 -1.888 0.619 -3.243 1.00 0.00 C ATOM 833 OH TYR A 26 -1.750 1.772 -2.499 1.00 0.00 O ATOM 0 H TYR A 26 -3.937 -4.849 -6.073 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.704 -4.547 -4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.432 -3.178 -6.099 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -3.156 -2.887 -6.215 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.136 -2.140 -4.174 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.175 -1.055 -5.113 1.00 0.00 H new ATOM 0 HE1 TYR A 26 0.121 -0.053 -2.862 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -3.928 1.026 -3.793 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.303 2.481 -2.888 1.00 0.00 H new ATOM 843 N VAL A 27 -2.989 -3.617 -2.227 1.00 0.00 N ATOM 844 CA VAL A 27 -3.800 -3.175 -1.045 1.00 0.00 C ATOM 845 C VAL A 27 -3.279 -1.798 -0.567 1.00 0.00 C ATOM 846 O VAL A 27 -2.125 -1.674 -0.183 1.00 0.00 O ATOM 847 CB VAL A 27 -3.591 -4.262 0.021 1.00 0.00 C ATOM 848 CG1 VAL A 27 -3.751 -3.669 1.426 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.637 -5.358 -0.182 1.00 0.00 C ATOM 0 H VAL A 27 -2.004 -3.788 -2.025 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.860 -3.057 -1.269 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.586 -4.672 -0.077 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.600 -4.451 2.170 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.014 -2.880 1.574 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.753 -3.254 1.534 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.499 -6.136 0.569 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.635 -4.931 -0.083 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.524 -5.789 -1.177 1.00 0.00 H new ATOM 859 N PRO A 28 -4.134 -0.802 -0.652 1.00 0.00 N ATOM 860 CA PRO A 28 -3.766 0.587 -0.280 1.00 0.00 C ATOM 861 C PRO A 28 -4.198 1.012 1.145 1.00 0.00 C ATOM 862 O PRO A 28 -5.226 0.609 1.652 1.00 0.00 O ATOM 863 CB PRO A 28 -4.571 1.397 -1.291 1.00 0.00 C ATOM 864 CG PRO A 28 -5.745 0.531 -1.682 1.00 0.00 C ATOM 865 CD PRO A 28 -5.518 -0.852 -1.122 1.00 0.00 C ATOM 0 HA PRO A 28 -2.684 0.721 -0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.908 2.338 -0.856 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.964 1.647 -2.161 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.673 0.951 -1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.843 0.491 -2.767 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.210 -1.076 -0.311 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.657 -1.621 -1.881 1.00 0.00 H new ATOM 873 N ASN A 29 -3.447 1.912 1.736 1.00 0.00 N ATOM 874 CA ASN A 29 -3.819 2.503 3.074 1.00 0.00 C ATOM 875 C ASN A 29 -4.131 3.970 2.784 1.00 0.00 C ATOM 876 O ASN A 29 -3.472 4.574 1.957 1.00 0.00 O ATOM 877 CB ASN A 29 -2.611 2.378 4.015 1.00 0.00 C ATOM 878 CG ASN A 29 -1.327 2.746 3.286 1.00 0.00 C ATOM 879 OD1 ASN A 29 -0.805 3.834 3.443 1.00 0.00 O ATOM 880 ND2 ASN A 29 -0.783 1.874 2.500 1.00 0.00 N ATOM 0 H ASN A 29 -2.576 2.271 1.345 1.00 0.00 H new ATOM 0 HA ASN A 29 -4.665 2.005 3.548 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.746 3.030 4.878 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -2.542 1.358 4.394 1.00 0.00 H new ATOM 0 HD21 ASN A 29 0.084 2.098 2.012 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -1.221 0.962 2.369 1.00 0.00 H new ATOM 887 N CYS A 30 -5.144 4.553 3.366 1.00 0.00 N ATOM 888 CA CYS A 30 -5.456 5.960 2.971 1.00 0.00 C ATOM 889 C CYS A 30 -5.415 6.971 4.120 1.00 0.00 C ATOM 890 O CYS A 30 -5.810 6.705 5.239 1.00 0.00 O ATOM 891 CB CYS A 30 -6.881 5.909 2.407 1.00 0.00 C ATOM 892 SG CYS A 30 -7.222 4.287 1.663 1.00 0.00 S ATOM 0 H CYS A 30 -5.751 4.137 4.073 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.699 6.303 2.265 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -7.599 6.108 3.203 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.009 6.692 1.659 1.00 0.00 H new ATOM 897 N ASP A 31 -4.978 8.158 3.784 1.00 0.00 N ATOM 898 CA ASP A 31 -4.925 9.303 4.739 1.00 0.00 C ATOM 899 C ASP A 31 -6.347 9.820 4.974 1.00 0.00 C ATOM 900 O ASP A 31 -7.280 9.386 4.320 1.00 0.00 O ATOM 901 CB ASP A 31 -4.122 10.379 3.992 1.00 0.00 C ATOM 902 CG ASP A 31 -3.513 11.393 4.961 1.00 0.00 C ATOM 903 OD1 ASP A 31 -3.989 11.498 6.078 1.00 0.00 O ATOM 904 OD2 ASP A 31 -2.583 12.067 4.556 1.00 0.00 O ATOM 0 H ASP A 31 -4.643 8.387 2.848 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.488 9.035 5.701 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.329 9.907 3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.771 10.894 3.284 1.00 0.00 H new ATOM 909 N HIS A 32 -6.517 10.763 5.864 1.00 0.00 N ATOM 910 CA HIS A 32 -7.878 11.338 6.106 1.00 0.00 C ATOM 911 C HIS A 32 -8.485 11.837 4.780 1.00 0.00 C ATOM 912 O HIS A 32 -9.683 11.947 4.645 1.00 0.00 O ATOM 913 CB HIS A 32 -7.695 12.477 7.124 1.00 0.00 C ATOM 914 CG HIS A 32 -6.933 13.634 6.534 1.00 0.00 C ATOM 915 ND1 HIS A 32 -5.548 13.661 6.499 1.00 0.00 N ATOM 916 CD2 HIS A 32 -7.346 14.833 6.011 1.00 0.00 C ATOM 917 CE1 HIS A 32 -5.182 14.847 5.982 1.00 0.00 C ATOM 918 NE2 HIS A 32 -6.238 15.599 5.665 1.00 0.00 N ATOM 0 H HIS A 32 -5.772 11.162 6.436 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.571 10.595 6.500 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -8.672 12.821 7.465 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -7.166 12.101 7.999 1.00 0.00 H new ATOM 0 HD1 HIS A 32 -4.922 12.918 6.808 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.375 15.136 5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.156 15.154 5.840 1.00 0.00 H new ATOM 926 N ARG A 33 -7.675 12.109 3.789 1.00 0.00 N ATOM 927 CA ARG A 33 -8.233 12.549 2.467 1.00 0.00 C ATOM 928 C ARG A 33 -8.469 11.324 1.565 1.00 0.00 C ATOM 929 O ARG A 33 -8.689 11.456 0.377 1.00 0.00 O ATOM 930 CB ARG A 33 -7.222 13.508 1.822 1.00 0.00 C ATOM 931 CG ARG A 33 -5.805 12.982 2.005 1.00 0.00 C ATOM 932 CD ARG A 33 -5.173 13.676 3.212 1.00 0.00 C ATOM 933 NE ARG A 33 -4.185 14.649 2.652 1.00 0.00 N ATOM 934 CZ ARG A 33 -3.370 15.293 3.452 1.00 0.00 C ATOM 935 NH1 ARG A 33 -2.488 14.634 4.157 1.00 0.00 N ATOM 936 NH2 ARG A 33 -3.456 16.594 3.555 1.00 0.00 N ATOM 0 H ARG A 33 -6.658 12.047 3.833 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.189 13.055 2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.442 13.619 0.760 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.311 14.497 2.271 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.820 11.903 2.156 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.214 13.171 1.109 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -5.929 14.186 3.809 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.683 12.954 3.866 1.00 0.00 H new ATOM 0 HE ARG A 33 -4.145 14.812 1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.434 13.618 4.085 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.854 15.136 4.779 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.155 17.103 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -2.824 17.099 4.176 1.00 0.00 H new ATOM 950 N GLY A 34 -8.412 10.129 2.113 1.00 0.00 N ATOM 951 CA GLY A 34 -8.619 8.902 1.294 1.00 0.00 C ATOM 952 C GLY A 34 -7.479 8.678 0.305 1.00 0.00 C ATOM 953 O GLY A 34 -7.522 7.747 -0.466 1.00 0.00 O ATOM 0 H GLY A 34 -8.229 9.957 3.102 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.704 8.037 1.952 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.560 8.983 0.750 1.00 0.00 H new ATOM 957 N PHE A 35 -6.465 9.493 0.316 1.00 0.00 N ATOM 958 CA PHE A 35 -5.325 9.267 -0.626 1.00 0.00 C ATOM 959 C PHE A 35 -4.385 8.214 -0.015 1.00 0.00 C ATOM 960 O PHE A 35 -4.423 7.975 1.174 1.00 0.00 O ATOM 961 CB PHE A 35 -4.623 10.620 -0.738 1.00 0.00 C ATOM 962 CG PHE A 35 -5.103 11.334 -1.981 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.323 12.024 -1.969 1.00 0.00 C ATOM 964 CD2 PHE A 35 -4.333 11.298 -3.150 1.00 0.00 C ATOM 965 CE1 PHE A 35 -6.770 12.675 -3.125 1.00 0.00 C ATOM 966 CE2 PHE A 35 -4.781 11.949 -4.305 1.00 0.00 C ATOM 967 CZ PHE A 35 -5.998 12.639 -4.292 1.00 0.00 C ATOM 0 H PHE A 35 -6.371 10.302 0.930 1.00 0.00 H new ATOM 0 HA PHE A 35 -5.642 8.906 -1.605 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.831 11.224 0.145 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.543 10.479 -0.780 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -6.918 12.053 -1.068 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -3.392 10.767 -3.160 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -7.711 13.205 -3.116 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -4.187 11.919 -5.207 1.00 0.00 H new ATOM 0 HZ PHE A 35 -6.342 13.144 -5.183 1.00 0.00 H new ATOM 977 N TYR A 36 -3.530 7.603 -0.800 1.00 0.00 N ATOM 978 CA TYR A 36 -2.576 6.588 -0.227 1.00 0.00 C ATOM 979 C TYR A 36 -1.591 7.362 0.645 1.00 0.00 C ATOM 980 O TYR A 36 -0.782 8.108 0.132 1.00 0.00 O ATOM 981 CB TYR A 36 -1.850 5.952 -1.429 1.00 0.00 C ATOM 982 CG TYR A 36 -2.840 5.503 -2.489 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.435 4.243 -2.403 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.149 6.346 -3.566 1.00 0.00 C ATOM 985 CE1 TYR A 36 -4.343 3.827 -3.387 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.055 5.932 -4.548 1.00 0.00 C ATOM 987 CZ TYR A 36 -4.653 4.669 -4.462 1.00 0.00 C ATOM 988 OH TYR A 36 -5.551 4.250 -5.431 1.00 0.00 O ATOM 0 H TYR A 36 -3.448 7.758 -1.805 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.063 5.814 0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.153 6.671 -1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.261 5.099 -1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.196 3.588 -1.578 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -2.686 7.319 -3.638 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.805 2.853 -3.316 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -4.293 6.587 -5.373 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.602 3.271 -5.428 1.00 0.00 H new ATOM 998 N ARG A 37 -1.699 7.286 1.949 1.00 0.00 N ATOM 999 CA ARG A 37 -0.796 8.141 2.769 1.00 0.00 C ATOM 1000 C ARG A 37 0.642 7.626 2.919 1.00 0.00 C ATOM 1001 O ARG A 37 1.579 8.285 2.513 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.488 8.206 4.139 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.500 8.707 5.189 1.00 0.00 C ATOM 1004 CD ARG A 37 -1.243 9.277 6.401 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.091 10.755 6.291 1.00 0.00 N ATOM 1006 CZ ARG A 37 -0.978 11.487 7.369 1.00 0.00 C ATOM 1007 NH1 ARG A 37 -2.012 11.664 8.145 1.00 0.00 N ATOM 1008 NH2 ARG A 37 0.171 12.025 7.671 1.00 0.00 N ATOM 0 H ARG A 37 -2.349 6.691 2.463 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.663 9.106 2.280 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.351 8.870 4.091 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.860 7.220 4.417 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.149 7.890 5.505 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.142 9.474 4.755 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.294 8.987 6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.819 8.906 7.334 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.075 11.197 5.372 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -2.906 11.232 7.910 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -1.927 12.234 8.986 1.00 0.00 H new ATOM 0 HH21 ARG A 37 0.979 11.875 7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.262 12.596 8.511 1.00 0.00 H new ATOM 1022 N LYS A 38 0.839 6.509 3.543 1.00 0.00 N ATOM 1023 CA LYS A 38 2.240 6.029 3.746 1.00 0.00 C ATOM 1024 C LYS A 38 2.737 4.950 2.777 1.00 0.00 C ATOM 1025 O LYS A 38 3.854 5.010 2.290 1.00 0.00 O ATOM 1026 CB LYS A 38 2.235 5.460 5.160 1.00 0.00 C ATOM 1027 CG LYS A 38 3.655 5.069 5.551 1.00 0.00 C ATOM 1028 CD LYS A 38 3.629 4.169 6.793 1.00 0.00 C ATOM 1029 CE LYS A 38 4.494 4.781 7.903 1.00 0.00 C ATOM 1030 NZ LYS A 38 3.763 5.996 8.361 1.00 0.00 N ATOM 0 H LYS A 38 0.107 5.907 3.921 1.00 0.00 H new ATOM 0 HA LYS A 38 2.920 6.863 3.570 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.843 6.198 5.860 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.579 4.591 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.138 4.548 4.724 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.245 5.963 5.752 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.604 4.049 7.144 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.998 3.175 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.635 4.077 8.723 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.485 5.038 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.060 6.236 9.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.978 6.791 7.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.740 5.811 8.349 1.00 0.00 H new ATOM 1044 N ARG A 39 1.976 3.902 2.609 1.00 0.00 N ATOM 1045 CA ARG A 39 2.472 2.751 1.797 1.00 0.00 C ATOM 1046 C ARG A 39 1.654 2.415 0.556 1.00 0.00 C ATOM 1047 O ARG A 39 0.554 2.883 0.345 1.00 0.00 O ATOM 1048 CB ARG A 39 2.366 1.578 2.773 1.00 0.00 C ATOM 1049 CG ARG A 39 3.695 0.832 2.877 1.00 0.00 C ATOM 1050 CD ARG A 39 3.493 -0.407 3.756 1.00 0.00 C ATOM 1051 NE ARG A 39 2.880 0.102 5.023 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.827 -0.491 5.541 1.00 0.00 C ATOM 1053 NH1 ARG A 39 0.815 -0.816 4.777 1.00 0.00 N ATOM 1054 NH2 ARG A 39 1.788 -0.755 6.820 1.00 0.00 N ATOM 0 H ARG A 39 1.038 3.792 2.996 1.00 0.00 H new ATOM 0 HA ARG A 39 3.464 2.980 1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.072 1.944 3.757 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.585 0.893 2.441 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.043 0.540 1.886 1.00 0.00 H new ATOM 0 HG3 ARG A 39 4.460 1.480 3.306 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.842 -1.133 3.268 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.441 -0.909 3.952 1.00 0.00 H new ATOM 0 HE ARG A 39 3.282 0.916 5.488 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.843 -0.609 3.779 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.001 -1.276 5.180 1.00 0.00 H new ATOM 0 HH21 ARG A 39 2.575 -0.501 7.417 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.971 -1.215 7.221 1.00 0.00 H new ATOM 1068 N GLN A 40 2.178 1.472 -0.166 1.00 0.00 N ATOM 1069 CA GLN A 40 1.496 0.867 -1.334 1.00 0.00 C ATOM 1070 C GLN A 40 1.868 -0.616 -1.267 1.00 0.00 C ATOM 1071 O GLN A 40 3.040 -0.948 -1.228 1.00 0.00 O ATOM 1072 CB GLN A 40 2.077 1.522 -2.590 1.00 0.00 C ATOM 1073 CG GLN A 40 1.233 2.741 -2.984 1.00 0.00 C ATOM 1074 CD GLN A 40 0.592 2.510 -4.361 1.00 0.00 C ATOM 1075 OE1 GLN A 40 0.916 1.563 -5.052 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.314 3.339 -4.790 1.00 0.00 N ATOM 0 H GLN A 40 3.100 1.077 0.018 1.00 0.00 H new ATOM 0 HA GLN A 40 0.414 1.000 -1.346 1.00 0.00 H new ATOM 0 HB2 GLN A 40 3.108 1.826 -2.408 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.097 0.803 -3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.458 2.915 -2.237 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.858 3.634 -3.009 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.590 4.135 -4.215 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.748 3.193 -5.701 1.00 0.00 H new ATOM 1085 N CYS A 41 0.930 -1.519 -1.203 1.00 0.00 N ATOM 1086 CA CYS A 41 1.340 -2.950 -1.097 1.00 0.00 C ATOM 1087 C CYS A 41 0.760 -3.782 -2.227 1.00 0.00 C ATOM 1088 O CYS A 41 -0.403 -3.670 -2.561 1.00 0.00 O ATOM 1089 CB CYS A 41 0.777 -3.429 0.237 1.00 0.00 C ATOM 1090 SG CYS A 41 1.903 -2.955 1.574 1.00 0.00 S ATOM 0 H CYS A 41 -0.074 -1.339 -1.219 1.00 0.00 H new ATOM 0 HA CYS A 41 2.423 -3.052 -1.160 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.208 -2.994 0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 41 0.649 -4.511 0.222 1.00 0.00 H new ATOM 1095 N ARG A 42 1.552 -4.657 -2.774 1.00 0.00 N ATOM 1096 CA ARG A 42 1.060 -5.549 -3.853 1.00 0.00 C ATOM 1097 C ARG A 42 1.015 -6.967 -3.307 1.00 0.00 C ATOM 1098 O ARG A 42 1.712 -7.290 -2.366 1.00 0.00 O ATOM 1099 CB ARG A 42 2.085 -5.437 -4.983 1.00 0.00 C ATOM 1100 CG ARG A 42 1.632 -4.369 -5.988 1.00 0.00 C ATOM 1101 CD ARG A 42 0.913 -5.032 -7.173 1.00 0.00 C ATOM 1102 NE ARG A 42 0.181 -3.926 -7.857 1.00 0.00 N ATOM 1103 CZ ARG A 42 -0.118 -4.030 -9.127 1.00 0.00 C ATOM 1104 NH1 ARG A 42 -0.729 -5.104 -9.566 1.00 0.00 N ATOM 1105 NH2 ARG A 42 0.201 -3.063 -9.954 1.00 0.00 N ATOM 0 H ARG A 42 2.529 -4.793 -2.516 1.00 0.00 H new ATOM 0 HA ARG A 42 0.064 -5.284 -4.209 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.062 -5.176 -4.576 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.195 -6.399 -5.484 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.966 -3.658 -5.500 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.494 -3.805 -6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.624 -5.509 -7.847 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.226 -5.807 -6.833 1.00 0.00 H new ATOM 0 HE ARG A 42 -0.086 -3.091 -7.336 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -0.970 -5.855 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.964 -5.189 -10.555 1.00 0.00 H new ATOM 0 HH21 ARG A 42 0.681 -2.233 -9.607 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.031 -3.142 -10.944 1.00 0.00 H new ATOM 1119 N SER A 43 0.208 -7.807 -3.877 1.00 0.00 N ATOM 1120 CA SER A 43 0.125 -9.211 -3.379 1.00 0.00 C ATOM 1121 C SER A 43 0.369 -10.143 -4.546 1.00 0.00 C ATOM 1122 O SER A 43 -0.368 -10.109 -5.518 1.00 0.00 O ATOM 1123 CB SER A 43 -1.301 -9.377 -2.857 1.00 0.00 C ATOM 1124 OG SER A 43 -1.841 -8.110 -2.468 1.00 0.00 O ATOM 0 H SER A 43 -0.400 -7.588 -4.666 1.00 0.00 H new ATOM 0 HA SER A 43 0.856 -9.432 -2.601 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.927 -9.825 -3.628 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.307 -10.058 -2.006 1.00 0.00 H new ATOM 0 HG SER A 43 -2.212 -7.657 -3.254 1.00 0.00 H new ATOM 1251 N CYS A 52 5.623 -4.773 -0.504 1.00 0.00 N ATOM 1252 CA CYS A 52 5.096 -3.483 0.032 1.00 0.00 C ATOM 1253 C CYS A 52 6.155 -2.384 -0.127 1.00 0.00 C ATOM 1254 O CYS A 52 7.341 -2.661 -0.139 1.00 0.00 O ATOM 1255 CB CYS A 52 4.827 -3.744 1.516 1.00 0.00 C ATOM 1256 SG CYS A 52 3.193 -4.504 1.713 1.00 0.00 S ATOM 0 HA CYS A 52 4.199 -3.154 -0.492 1.00 0.00 H new ATOM 0 HB2 CYS A 52 5.596 -4.399 1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.874 -2.809 2.074 1.00 0.00 H new ATOM 1261 N TRP A 53 5.747 -1.146 -0.205 1.00 0.00 N ATOM 1262 CA TRP A 53 6.740 -0.029 -0.308 1.00 0.00 C ATOM 1263 C TRP A 53 6.083 1.299 0.099 1.00 0.00 C ATOM 1264 O TRP A 53 4.875 1.443 0.056 1.00 0.00 O ATOM 1265 CB TRP A 53 7.252 -0.022 -1.761 1.00 0.00 C ATOM 1266 CG TRP A 53 6.201 0.432 -2.726 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.923 1.721 -3.020 1.00 0.00 C ATOM 1268 CD2 TRP A 53 5.314 -0.377 -3.556 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.922 1.758 -3.973 1.00 0.00 N ATOM 1270 CE2 TRP A 53 4.508 0.491 -4.331 1.00 0.00 C ATOM 1271 CE3 TRP A 53 5.127 -1.762 -3.702 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 3.554 -0.001 -5.224 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 4.168 -2.262 -4.599 1.00 0.00 C ATOM 1274 CH2 TRP A 53 3.382 -1.382 -5.357 1.00 0.00 C ATOM 0 H TRP A 53 4.769 -0.856 -0.202 1.00 0.00 H new ATOM 0 HA TRP A 53 7.583 -0.166 0.370 1.00 0.00 H new ATOM 0 HB2 TRP A 53 8.120 0.633 -1.836 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.585 -1.024 -2.033 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.405 2.583 -2.582 1.00 0.00 H new ATOM 0 HE1 TRP A 53 4.536 2.617 -4.364 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.725 -2.448 -3.120 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.953 0.681 -5.808 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 4.036 -3.329 -4.705 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.644 -1.771 -6.043 1.00 0.00 H new ATOM 1285 N CYS A 54 6.872 2.258 0.527 1.00 0.00 N ATOM 1286 CA CYS A 54 6.304 3.573 0.973 1.00 0.00 C ATOM 1287 C CYS A 54 5.996 4.473 -0.224 1.00 0.00 C ATOM 1288 O CYS A 54 6.652 4.406 -1.253 1.00 0.00 O ATOM 1289 CB CYS A 54 7.379 4.207 1.864 1.00 0.00 C ATOM 1290 SG CYS A 54 6.770 4.301 3.569 1.00 0.00 S ATOM 0 H CYS A 54 7.888 2.186 0.587 1.00 0.00 H new ATOM 0 HA CYS A 54 5.364 3.439 1.507 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.294 3.616 1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.628 5.204 1.500 1.00 0.00 H new ATOM 0 HG CYS A 54 7.681 4.836 4.326 1.00 0.00 H new ATOM 1295 N VAL A 55 5.009 5.317 -0.089 1.00 0.00 N ATOM 1296 CA VAL A 55 4.630 6.241 -1.204 1.00 0.00 C ATOM 1297 C VAL A 55 4.160 7.576 -0.634 1.00 0.00 C ATOM 1298 O VAL A 55 3.899 7.693 0.551 1.00 0.00 O ATOM 1299 CB VAL A 55 3.482 5.550 -1.946 1.00 0.00 C ATOM 1300 CG1 VAL A 55 4.031 4.379 -2.752 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.444 5.035 -0.945 1.00 0.00 C ATOM 0 H VAL A 55 4.442 5.409 0.754 1.00 0.00 H new ATOM 0 HA VAL A 55 5.471 6.443 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 55 3.008 6.268 -2.615 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.215 3.887 -3.280 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.762 4.745 -3.473 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.510 3.667 -2.080 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.632 4.545 -1.482 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.914 4.321 -0.269 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.046 5.872 -0.370 1.00 0.00 H new ATOM 1311 N ASP A 56 4.045 8.577 -1.464 1.00 0.00 N ATOM 1312 CA ASP A 56 3.578 9.893 -0.972 1.00 0.00 C ATOM 1313 C ASP A 56 2.053 9.937 -1.029 1.00 0.00 C ATOM 1314 O ASP A 56 1.409 8.987 -1.432 1.00 0.00 O ATOM 1315 CB ASP A 56 4.220 10.947 -1.892 1.00 0.00 C ATOM 1316 CG ASP A 56 3.565 10.935 -3.271 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.540 11.572 -3.422 1.00 0.00 O ATOM 1318 OD2 ASP A 56 4.113 10.316 -4.161 1.00 0.00 O ATOM 0 H ASP A 56 4.256 8.535 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 56 3.863 10.081 0.063 1.00 0.00 H new ATOM 0 HB2 ASP A 56 4.119 11.936 -1.445 1.00 0.00 H new ATOM 0 HB3 ASP A 56 5.287 10.749 -1.990 1.00 0.00 H new ATOM 1323 N ARG A 57 1.491 11.025 -0.609 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.004 11.185 -0.587 1.00 0.00 C ATOM 1325 C ARG A 57 -0.681 10.683 -1.877 1.00 0.00 C ATOM 1326 O ARG A 57 -1.795 10.192 -1.839 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.247 12.694 -0.395 1.00 0.00 C ATOM 1328 CG ARG A 57 0.545 13.501 -1.434 1.00 0.00 C ATOM 1329 CD ARG A 57 1.594 14.371 -0.728 1.00 0.00 C ATOM 1330 NE ARG A 57 2.814 14.291 -1.588 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.819 14.846 -2.774 1.00 0.00 C ATOM 1332 NH1 ARG A 57 3.074 16.120 -2.899 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.575 14.120 -3.831 1.00 0.00 N ATOM 0 H ARG A 57 2.006 11.837 -0.269 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.440 10.584 0.211 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.311 12.912 -0.490 1.00 0.00 H new ATOM 0 HB3 ARG A 57 0.051 12.992 0.610 1.00 0.00 H new ATOM 0 HG2 ARG A 57 1.033 12.826 -2.137 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.132 14.129 -2.013 1.00 0.00 H new ATOM 0 HD2 ARG A 57 1.249 15.400 -0.629 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.797 14.004 0.278 1.00 0.00 H new ATOM 0 HE ARG A 57 3.644 13.803 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 57 3.270 16.684 -2.072 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.078 16.551 -3.823 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.381 13.124 -3.732 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.578 14.549 -4.756 1.00 0.00 H new ATOM 1347 N MET A 58 -0.045 10.798 -3.014 1.00 0.00 N ATOM 1348 CA MET A 58 -0.690 10.327 -4.275 1.00 0.00 C ATOM 1349 C MET A 58 -0.589 8.797 -4.388 1.00 0.00 C ATOM 1350 O MET A 58 -1.304 8.179 -5.157 1.00 0.00 O ATOM 1351 CB MET A 58 0.076 11.060 -5.391 1.00 0.00 C ATOM 1352 CG MET A 58 0.279 10.176 -6.630 1.00 0.00 C ATOM 1353 SD MET A 58 -0.790 10.769 -7.969 1.00 0.00 S ATOM 1354 CE MET A 58 -2.356 10.126 -7.326 1.00 0.00 C ATOM 0 H MET A 58 0.888 11.195 -3.124 1.00 0.00 H new ATOM 0 HA MET A 58 -1.757 10.545 -4.325 1.00 0.00 H new ATOM 0 HB2 MET A 58 -0.470 11.960 -5.674 1.00 0.00 H new ATOM 0 HB3 MET A 58 1.046 11.382 -5.013 1.00 0.00 H new ATOM 0 HG2 MET A 58 1.323 10.203 -6.943 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.044 9.138 -6.393 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.158 10.353 -8.028 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.281 9.046 -7.198 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.573 10.591 -6.364 1.00 0.00 H new ATOM 1364 N GLY A 59 0.274 8.180 -3.628 1.00 0.00 N ATOM 1365 CA GLY A 59 0.403 6.699 -3.696 1.00 0.00 C ATOM 1366 C GLY A 59 1.567 6.310 -4.607 1.00 0.00 C ATOM 1367 O GLY A 59 1.760 5.154 -4.909 1.00 0.00 O ATOM 0 H GLY A 59 0.896 8.639 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.564 6.295 -2.697 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.523 6.263 -4.071 1.00 0.00 H new ATOM 1371 N LYS A 60 2.339 7.255 -5.059 1.00 0.00 N ATOM 1372 CA LYS A 60 3.476 6.933 -5.943 1.00 0.00 C ATOM 1373 C LYS A 60 4.733 6.720 -5.096 1.00 0.00 C ATOM 1374 O LYS A 60 4.882 7.326 -4.051 1.00 0.00 O ATOM 1375 CB LYS A 60 3.586 8.191 -6.794 1.00 0.00 C ATOM 1376 CG LYS A 60 4.819 8.135 -7.672 1.00 0.00 C ATOM 1377 CD LYS A 60 4.512 8.869 -8.978 1.00 0.00 C ATOM 1378 CE LYS A 60 5.597 8.573 -10.030 1.00 0.00 C ATOM 1379 NZ LYS A 60 5.754 7.086 -10.041 1.00 0.00 N ATOM 0 H LYS A 60 2.225 8.246 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 60 3.353 6.027 -6.537 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.696 8.296 -7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.631 9.069 -6.150 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.666 8.598 -7.166 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.095 7.100 -7.874 1.00 0.00 H new ATOM 0 HD2 LYS A 60 3.537 8.560 -9.355 1.00 0.00 H new ATOM 0 HD3 LYS A 60 4.458 9.942 -8.795 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.302 8.943 -11.012 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.536 9.064 -9.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.074 6.778 -10.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 6.456 6.806 -9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.841 6.639 -9.823 1.00 0.00 H new ATOM 1393 N SER A 61 5.635 5.874 -5.535 1.00 0.00 N ATOM 1394 CA SER A 61 6.891 5.637 -4.760 1.00 0.00 C ATOM 1395 C SER A 61 7.448 7.000 -4.338 1.00 0.00 C ATOM 1396 O SER A 61 7.821 7.811 -5.165 1.00 0.00 O ATOM 1397 CB SER A 61 7.843 4.913 -5.719 1.00 0.00 C ATOM 1398 OG SER A 61 7.088 4.072 -6.588 1.00 0.00 O ATOM 0 H SER A 61 5.554 5.337 -6.399 1.00 0.00 H new ATOM 0 HA SER A 61 6.741 5.040 -3.860 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.413 5.638 -6.300 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.563 4.320 -5.156 1.00 0.00 H new ATOM 0 HG SER A 61 7.694 3.609 -7.203 1.00 0.00 H new ATOM 1404 N LEU A 62 7.434 7.261 -3.062 1.00 0.00 N ATOM 1405 CA LEU A 62 7.877 8.581 -2.524 1.00 0.00 C ATOM 1406 C LEU A 62 9.138 9.113 -3.202 1.00 0.00 C ATOM 1407 O LEU A 62 10.231 8.659 -2.924 1.00 0.00 O ATOM 1408 CB LEU A 62 8.138 8.340 -1.041 1.00 0.00 C ATOM 1409 CG LEU A 62 7.051 9.037 -0.229 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.955 8.396 1.148 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.383 10.522 -0.082 1.00 0.00 C ATOM 0 H LEU A 62 7.126 6.599 -2.350 1.00 0.00 H new ATOM 0 HA LEU A 62 7.114 9.338 -2.707 1.00 0.00 H new ATOM 0 HB2 LEU A 62 8.141 7.271 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 62 9.120 8.723 -0.764 1.00 0.00 H new ATOM 0 HG LEU A 62 6.096 8.934 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.178 8.894 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.707 7.340 1.041 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.911 8.494 1.662 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.603 11.014 0.499 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.340 10.632 0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.444 10.981 -1.069 1.00 0.00 H new