USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=11 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 5:sc= -0.0655 USER MOD Set 1.2: A 40 GLN : amide:sc= 1.49 K(o=1.4,f=-2.8!) USER MOD Set 2.1: A 6 HIS : no HD1:sc= -1.22! C(o=0.083!,f=-8.6!) USER MOD Set 2.2: A 36 TYR OH : rot -7:sc= 1.3 USER MOD Single : A 1 GLY N :NH3+ 144:sc= 0.0444 (180deg=0) USER MOD Single : A 9 SER OG : rot 100:sc= 1.26 USER MOD Single : A 12 GLN : amide:sc= -1.27 K(o=-1.3,f=-5!) USER MOD Single : A 13 GLN : amide:sc= 0.73 K(o=0.73,f=-1.4) 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 176:sc= 0.638 USER MOD Single : A 29 ASN : amide:sc= -2.5! C(o=-2.5!,f=-9.2!) USER MOD Single : A 32 HIS : no HD1:sc= -0.0262 K(o=-0.026,f=-0.67) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 54 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 MET CE :methyl 155:sc= -2.01 (180deg=-3.58!) USER MOD Single : A 60 LYS NZ :NH3+ -157:sc= 0.981 (180deg=0.333) USER MOD Single : A 61 SER OG : rot 180:sc= 0.149 USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.304 10.769 -0.565 1.00 0.00 N ATOM 423 CA GLY A 1 -10.024 10.304 -1.171 1.00 0.00 C ATOM 424 C GLY A 1 -10.302 9.062 -2.021 1.00 0.00 C ATOM 425 O GLY A 1 -11.161 8.266 -1.684 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.122 11.138 0.390 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.714 11.522 -1.154 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.970 9.973 -0.508 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.589 11.092 -1.786 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.299 10.072 -0.390 1.00 0.00 H new ATOM 429 N PRO A 2 -9.578 8.931 -3.107 1.00 0.00 N ATOM 430 CA PRO A 2 -9.772 7.767 -4.019 1.00 0.00 C ATOM 431 C PRO A 2 -9.303 6.459 -3.370 1.00 0.00 C ATOM 432 O PRO A 2 -9.852 5.404 -3.631 1.00 0.00 O ATOM 433 CB PRO A 2 -8.920 8.120 -5.237 1.00 0.00 C ATOM 434 CG PRO A 2 -7.888 9.073 -4.726 1.00 0.00 C ATOM 435 CD PRO A 2 -8.522 9.834 -3.590 1.00 0.00 C ATOM 0 HA PRO A 2 -10.820 7.600 -4.269 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.458 7.231 -5.666 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -9.524 8.576 -6.022 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.002 8.537 -4.385 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -7.566 9.753 -5.515 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.799 10.058 -2.806 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -8.933 10.786 -3.927 1.00 0.00 H new ATOM 443 N CYS A 3 -8.301 6.510 -2.528 1.00 0.00 N ATOM 444 CA CYS A 3 -7.816 5.255 -1.876 1.00 0.00 C ATOM 445 C CYS A 3 -8.853 4.756 -0.856 1.00 0.00 C ATOM 446 O CYS A 3 -9.056 3.566 -0.723 1.00 0.00 O ATOM 447 CB CYS A 3 -6.476 5.607 -1.207 1.00 0.00 C ATOM 448 SG CYS A 3 -6.335 4.792 0.409 1.00 0.00 S ATOM 0 H CYS A 3 -7.801 7.359 -2.265 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.677 4.447 -2.595 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.651 5.299 -1.849 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.398 6.687 -1.084 1.00 0.00 H new ATOM 453 N ARG A 4 -9.518 5.639 -0.137 1.00 0.00 N ATOM 454 CA ARG A 4 -10.532 5.156 0.857 1.00 0.00 C ATOM 455 C ARG A 4 -11.615 4.352 0.130 1.00 0.00 C ATOM 456 O ARG A 4 -11.964 3.259 0.538 1.00 0.00 O ATOM 457 CB ARG A 4 -11.131 6.417 1.491 1.00 0.00 C ATOM 458 CG ARG A 4 -12.312 6.035 2.392 1.00 0.00 C ATOM 459 CD ARG A 4 -11.834 5.137 3.549 1.00 0.00 C ATOM 460 NE ARG A 4 -12.093 3.730 3.107 1.00 0.00 N ATOM 461 CZ ARG A 4 -11.766 2.720 3.871 1.00 0.00 C ATOM 462 NH1 ARG A 4 -10.548 2.624 4.341 1.00 0.00 N ATOM 463 NH2 ARG A 4 -12.662 1.819 4.171 1.00 0.00 N ATOM 0 H ARG A 4 -9.404 6.651 -0.195 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.091 4.508 1.614 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.371 6.938 2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.463 7.104 0.713 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.780 6.935 2.791 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.070 5.514 1.808 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.775 5.294 3.754 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -12.374 5.364 4.469 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.529 3.557 2.201 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -9.855 3.336 4.111 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -10.292 1.837 4.937 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -13.612 1.905 3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -12.412 1.029 4.766 1.00 0.00 H new ATOM 477 N ARG A 5 -12.125 4.867 -0.956 1.00 0.00 N ATOM 478 CA ARG A 5 -13.158 4.104 -1.718 1.00 0.00 C ATOM 479 C ARG A 5 -12.493 2.852 -2.286 1.00 0.00 C ATOM 480 O ARG A 5 -13.085 1.787 -2.347 1.00 0.00 O ATOM 481 CB ARG A 5 -13.631 5.038 -2.833 1.00 0.00 C ATOM 482 CG ARG A 5 -14.111 6.360 -2.215 1.00 0.00 C ATOM 483 CD ARG A 5 -15.572 6.629 -2.585 1.00 0.00 C ATOM 484 NE ARG A 5 -16.331 5.417 -2.149 1.00 0.00 N ATOM 485 CZ ARG A 5 -17.315 4.967 -2.879 1.00 0.00 C ATOM 486 NH1 ARG A 5 -18.513 5.458 -2.711 1.00 0.00 N ATOM 487 NH2 ARG A 5 -17.095 4.057 -3.796 1.00 0.00 N ATOM 0 H ARG A 5 -11.875 5.775 -1.347 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.005 3.792 -1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -12.819 5.225 -3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.439 4.571 -3.396 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -14.006 6.320 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -13.485 7.180 -2.566 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -15.944 7.524 -2.086 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -15.680 6.794 -3.657 1.00 0.00 H new ATOM 0 HE ARG A 5 -16.080 4.942 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -18.673 6.186 -2.015 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -19.289 5.114 -3.276 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -16.152 3.697 -3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -17.867 3.708 -4.364 1.00 0.00 H new ATOM 501 N HIS A 6 -11.244 2.972 -2.664 1.00 0.00 N ATOM 502 CA HIS A 6 -10.495 1.797 -3.192 1.00 0.00 C ATOM 503 C HIS A 6 -10.357 0.753 -2.080 1.00 0.00 C ATOM 504 O HIS A 6 -10.585 -0.418 -2.292 1.00 0.00 O ATOM 505 CB HIS A 6 -9.121 2.346 -3.591 1.00 0.00 C ATOM 506 CG HIS A 6 -8.547 1.534 -4.721 1.00 0.00 C ATOM 507 ND1 HIS A 6 -7.537 2.021 -5.530 1.00 0.00 N ATOM 508 CD2 HIS A 6 -8.816 0.264 -5.178 1.00 0.00 C ATOM 509 CE1 HIS A 6 -7.232 1.061 -6.420 1.00 0.00 C ATOM 510 NE2 HIS A 6 -7.982 -0.032 -6.250 1.00 0.00 N ATOM 0 H HIS A 6 -10.711 3.841 -2.628 1.00 0.00 H new ATOM 0 HA HIS A 6 -10.993 1.319 -4.035 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.211 3.390 -3.892 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.447 2.319 -2.735 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -9.561 -0.401 -4.767 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -6.472 1.161 -7.181 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -7.949 -0.897 -6.790 1.00 0.00 H new ATOM 518 N LEU A 7 -10.009 1.181 -0.888 1.00 0.00 N ATOM 519 CA LEU A 7 -9.874 0.223 0.258 1.00 0.00 C ATOM 520 C LEU A 7 -11.195 -0.522 0.473 1.00 0.00 C ATOM 521 O LEU A 7 -11.217 -1.728 0.609 1.00 0.00 O ATOM 522 CB LEU A 7 -9.553 1.097 1.477 1.00 0.00 C ATOM 523 CG LEU A 7 -8.047 1.062 1.760 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.688 2.170 2.745 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.668 -0.287 2.375 1.00 0.00 C ATOM 0 H LEU A 7 -9.812 2.155 -0.659 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.103 -0.527 0.081 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.874 2.123 1.295 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -10.104 0.740 2.347 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.506 1.205 0.825 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.617 2.145 2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.955 3.137 2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.236 2.021 3.676 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.597 -0.308 2.575 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.214 -0.428 3.308 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.923 -1.088 1.681 1.00 0.00 H new ATOM 537 N ASP A 8 -12.300 0.185 0.500 1.00 0.00 N ATOM 538 CA ASP A 8 -13.620 -0.493 0.697 1.00 0.00 C ATOM 539 C ASP A 8 -13.847 -1.513 -0.422 1.00 0.00 C ATOM 540 O ASP A 8 -14.230 -2.643 -0.183 1.00 0.00 O ATOM 541 CB ASP A 8 -14.675 0.614 0.605 1.00 0.00 C ATOM 542 CG ASP A 8 -14.969 1.174 1.994 1.00 0.00 C ATOM 543 OD1 ASP A 8 -15.570 0.467 2.782 1.00 0.00 O ATOM 544 OD2 ASP A 8 -14.593 2.302 2.248 1.00 0.00 O ATOM 0 H ASP A 8 -12.345 1.199 0.395 1.00 0.00 H new ATOM 0 HA ASP A 8 -13.666 -1.019 1.650 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -14.322 1.411 -0.050 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -15.590 0.220 0.162 1.00 0.00 H new ATOM 549 N SER A 9 -13.598 -1.111 -1.640 1.00 0.00 N ATOM 550 CA SER A 9 -13.772 -2.027 -2.803 1.00 0.00 C ATOM 551 C SER A 9 -12.725 -3.141 -2.736 1.00 0.00 C ATOM 552 O SER A 9 -13.048 -4.307 -2.855 1.00 0.00 O ATOM 553 CB SER A 9 -13.569 -1.151 -4.044 1.00 0.00 C ATOM 554 OG SER A 9 -14.285 0.080 -3.884 1.00 0.00 O ATOM 0 H SER A 9 -13.277 -0.173 -1.881 1.00 0.00 H new ATOM 0 HA SER A 9 -14.750 -2.507 -2.818 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.508 -0.950 -4.190 1.00 0.00 H new ATOM 0 HB3 SER A 9 -13.920 -1.675 -4.933 1.00 0.00 H new ATOM 0 HG SER A 9 -13.664 0.786 -3.608 1.00 0.00 H new ATOM 560 N VAL A 10 -11.477 -2.799 -2.508 1.00 0.00 N ATOM 561 CA VAL A 10 -10.425 -3.858 -2.403 1.00 0.00 C ATOM 562 C VAL A 10 -10.800 -4.795 -1.259 1.00 0.00 C ATOM 563 O VAL A 10 -10.685 -5.992 -1.372 1.00 0.00 O ATOM 564 CB VAL A 10 -9.118 -3.116 -2.097 1.00 0.00 C ATOM 565 CG1 VAL A 10 -8.045 -4.106 -1.638 1.00 0.00 C ATOM 566 CG2 VAL A 10 -8.633 -2.402 -3.359 1.00 0.00 C ATOM 0 H VAL A 10 -11.146 -1.841 -2.391 1.00 0.00 H new ATOM 0 HA VAL A 10 -10.325 -4.454 -3.310 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.300 -2.390 -1.304 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.122 -3.568 -1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.384 -4.618 -0.738 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -7.864 -4.838 -2.425 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -7.704 -1.874 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -8.460 -3.134 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.389 -1.688 -3.686 1.00 0.00 H new ATOM 576 N LEU A 11 -11.279 -4.256 -0.171 1.00 0.00 N ATOM 577 CA LEU A 11 -11.697 -5.125 0.965 1.00 0.00 C ATOM 578 C LEU A 11 -12.773 -6.092 0.466 1.00 0.00 C ATOM 579 O LEU A 11 -12.712 -7.280 0.714 1.00 0.00 O ATOM 580 CB LEU A 11 -12.270 -4.173 2.022 1.00 0.00 C ATOM 581 CG LEU A 11 -12.825 -4.981 3.201 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.692 -5.750 3.881 1.00 0.00 C ATOM 583 CD2 LEU A 11 -13.474 -4.032 4.207 1.00 0.00 C ATOM 0 H LEU A 11 -11.399 -3.254 -0.020 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.877 -5.714 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.494 -3.491 2.370 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.059 -3.561 1.585 1.00 0.00 H new ATOM 0 HG LEU A 11 -13.569 -5.689 2.834 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.092 -6.322 4.718 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.232 -6.429 3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.943 -5.047 4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -13.869 -4.605 5.046 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.730 -3.323 4.570 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -14.287 -3.490 3.724 1.00 0.00 H new ATOM 595 N GLN A 12 -13.747 -5.596 -0.258 1.00 0.00 N ATOM 596 CA GLN A 12 -14.814 -6.504 -0.792 1.00 0.00 C ATOM 597 C GLN A 12 -14.219 -7.417 -1.874 1.00 0.00 C ATOM 598 O GLN A 12 -14.485 -8.604 -1.929 1.00 0.00 O ATOM 599 CB GLN A 12 -15.870 -5.588 -1.421 1.00 0.00 C ATOM 600 CG GLN A 12 -16.452 -4.642 -0.364 1.00 0.00 C ATOM 601 CD GLN A 12 -17.074 -3.429 -1.063 1.00 0.00 C ATOM 602 OE1 GLN A 12 -16.777 -3.155 -2.211 1.00 0.00 O ATOM 603 NE2 GLN A 12 -17.926 -2.686 -0.422 1.00 0.00 N ATOM 0 H GLN A 12 -13.851 -4.611 -0.501 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.238 -7.132 -0.009 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -15.424 -5.010 -2.230 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -16.667 -6.188 -1.860 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -17.205 -5.160 0.230 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.670 -4.319 0.323 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -18.177 -2.912 0.540 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -18.343 -1.876 -0.881 1.00 0.00 H new ATOM 612 N GLN A 13 -13.425 -6.849 -2.739 1.00 0.00 N ATOM 613 CA GLN A 13 -12.800 -7.630 -3.854 1.00 0.00 C ATOM 614 C GLN A 13 -11.722 -8.596 -3.350 1.00 0.00 C ATOM 615 O GLN A 13 -11.514 -9.637 -3.923 1.00 0.00 O ATOM 616 CB GLN A 13 -12.151 -6.577 -4.760 1.00 0.00 C ATOM 617 CG GLN A 13 -13.164 -6.034 -5.770 1.00 0.00 C ATOM 618 CD GLN A 13 -12.649 -4.701 -6.313 1.00 0.00 C ATOM 619 OE1 GLN A 13 -13.070 -3.649 -5.877 1.00 0.00 O ATOM 620 NE2 GLN A 13 -11.738 -4.700 -7.244 1.00 0.00 N ATOM 0 H GLN A 13 -13.176 -5.860 -2.723 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.548 -8.239 -4.362 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -11.760 -5.760 -4.154 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -11.304 -7.016 -5.287 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -13.304 -6.745 -6.584 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -14.136 -5.898 -5.295 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -11.383 -5.583 -7.611 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -11.379 -3.816 -7.606 1.00 0.00 H new ATOM 629 N LEU A 14 -11.002 -8.240 -2.321 1.00 0.00 N ATOM 630 CA LEU A 14 -9.882 -9.111 -1.837 1.00 0.00 C ATOM 631 C LEU A 14 -10.297 -10.573 -1.660 1.00 0.00 C ATOM 632 O LEU A 14 -9.565 -11.461 -2.038 1.00 0.00 O ATOM 633 CB LEU A 14 -9.461 -8.527 -0.484 1.00 0.00 C ATOM 634 CG LEU A 14 -7.991 -8.118 -0.544 1.00 0.00 C ATOM 635 CD1 LEU A 14 -7.618 -7.351 0.728 1.00 0.00 C ATOM 636 CD2 LEU A 14 -7.121 -9.374 -0.663 1.00 0.00 C ATOM 0 H LEU A 14 -11.139 -7.380 -1.790 1.00 0.00 H new ATOM 0 HA LEU A 14 -9.075 -9.118 -2.570 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -10.080 -7.664 -0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -9.613 -9.263 0.306 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.826 -7.477 -1.410 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -6.568 -7.060 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.239 -6.459 0.810 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.781 -7.988 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.071 -9.086 -0.706 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -7.286 -10.015 0.203 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.386 -9.916 -1.571 1.00 0.00 H new ATOM 648 N GLN A 15 -11.432 -10.845 -1.085 1.00 0.00 N ATOM 649 CA GLN A 15 -11.815 -12.280 -0.896 1.00 0.00 C ATOM 650 C GLN A 15 -12.124 -12.958 -2.231 1.00 0.00 C ATOM 651 O GLN A 15 -12.037 -14.164 -2.352 1.00 0.00 O ATOM 652 CB GLN A 15 -13.049 -12.278 0.012 1.00 0.00 C ATOM 653 CG GLN A 15 -12.664 -11.787 1.409 1.00 0.00 C ATOM 654 CD GLN A 15 -13.521 -12.513 2.451 1.00 0.00 C ATOM 655 OE1 GLN A 15 -14.622 -12.093 2.747 1.00 0.00 O ATOM 656 NE2 GLN A 15 -13.067 -13.595 3.016 1.00 0.00 N ATOM 0 H GLN A 15 -12.102 -10.157 -0.742 1.00 0.00 H new ATOM 0 HA GLN A 15 -10.994 -12.844 -0.452 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -13.821 -11.634 -0.410 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.469 -13.282 0.072 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -11.607 -11.975 1.595 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -12.814 -10.710 1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -12.143 -13.950 2.769 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -13.635 -14.088 3.705 1.00 0.00 H new ATOM 665 N THR A 16 -12.487 -12.208 -3.224 1.00 0.00 N ATOM 666 CA THR A 16 -12.806 -12.816 -4.539 1.00 0.00 C ATOM 667 C THR A 16 -11.681 -12.552 -5.553 1.00 0.00 C ATOM 668 O THR A 16 -11.471 -13.315 -6.481 1.00 0.00 O ATOM 669 CB THR A 16 -14.071 -12.071 -4.962 1.00 0.00 C ATOM 670 OG1 THR A 16 -15.207 -12.645 -4.330 1.00 0.00 O ATOM 671 CG2 THR A 16 -14.217 -12.150 -6.475 1.00 0.00 C ATOM 0 H THR A 16 -12.578 -11.193 -3.183 1.00 0.00 H new ATOM 0 HA THR A 16 -12.926 -13.898 -4.488 1.00 0.00 H new ATOM 0 HB THR A 16 -13.996 -11.026 -4.660 1.00 0.00 H new ATOM 0 HG1 THR A 16 -16.014 -12.161 -4.605 1.00 0.00 H new ATOM 0 HG21 THR A 16 -15.119 -11.620 -6.782 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.348 -11.693 -6.949 1.00 0.00 H new ATOM 0 HG23 THR A 16 -14.289 -13.194 -6.780 1.00 0.00 H new ATOM 679 N GLU A 17 -10.998 -11.454 -5.409 1.00 0.00 N ATOM 680 CA GLU A 17 -9.937 -11.090 -6.396 1.00 0.00 C ATOM 681 C GLU A 17 -8.548 -11.559 -5.975 1.00 0.00 C ATOM 682 O GLU A 17 -7.561 -11.044 -6.453 1.00 0.00 O ATOM 683 CB GLU A 17 -9.986 -9.565 -6.484 1.00 0.00 C ATOM 684 CG GLU A 17 -11.364 -9.132 -6.990 1.00 0.00 C ATOM 685 CD GLU A 17 -11.220 -8.377 -8.306 1.00 0.00 C ATOM 686 OE1 GLU A 17 -11.172 -9.024 -9.339 1.00 0.00 O ATOM 687 OE2 GLU A 17 -11.161 -7.165 -8.266 1.00 0.00 O ATOM 0 H GLU A 17 -11.127 -10.787 -4.648 1.00 0.00 H new ATOM 0 HA GLU A 17 -10.121 -11.577 -7.354 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -9.791 -9.126 -5.505 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -9.208 -9.203 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -12.001 -10.006 -7.130 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.851 -8.498 -6.249 1.00 0.00 H new ATOM 789 N THR A 24 -1.817 -12.169 -5.045 1.00 0.00 N ATOM 790 CA THR A 24 -1.118 -10.825 -4.894 1.00 0.00 C ATOM 791 C THR A 24 -2.002 -9.600 -5.160 1.00 0.00 C ATOM 792 O THR A 24 -1.632 -8.694 -5.893 1.00 0.00 O ATOM 793 CB THR A 24 0.076 -10.867 -5.843 1.00 0.00 C ATOM 794 OG1 THR A 24 0.809 -9.649 -5.763 1.00 0.00 O ATOM 795 CG2 THR A 24 -0.394 -11.098 -7.277 1.00 0.00 C ATOM 0 HA THR A 24 -0.824 -10.695 -3.853 1.00 0.00 H new ATOM 0 HB THR A 24 0.725 -11.692 -5.549 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.609 -9.711 -6.326 1.00 0.00 H new ATOM 0 HG21 THR A 24 0.469 -11.126 -7.943 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.929 -12.046 -7.336 1.00 0.00 H new ATOM 0 HG23 THR A 24 -1.058 -10.288 -7.577 1.00 0.00 H new ATOM 803 N LEU A 25 -3.152 -9.550 -4.581 1.00 0.00 N ATOM 804 CA LEU A 25 -4.037 -8.373 -4.804 1.00 0.00 C ATOM 805 C LEU A 25 -3.466 -7.188 -4.015 1.00 0.00 C ATOM 806 O LEU A 25 -3.143 -7.287 -2.842 1.00 0.00 O ATOM 807 CB LEU A 25 -5.416 -8.780 -4.266 1.00 0.00 C ATOM 808 CG LEU A 25 -6.377 -7.573 -4.225 1.00 0.00 C ATOM 809 CD1 LEU A 25 -6.194 -6.684 -5.462 1.00 0.00 C ATOM 810 CD2 LEU A 25 -7.820 -8.080 -4.184 1.00 0.00 C ATOM 0 H LEU A 25 -3.527 -10.268 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 25 -4.107 -8.081 -5.852 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.838 -9.563 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.310 -9.198 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 25 -6.155 -6.984 -3.335 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -6.883 -5.841 -5.409 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.169 -6.314 -5.496 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -6.400 -7.265 -6.361 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -8.503 -7.231 -4.155 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -8.021 -8.677 -5.073 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.965 -8.693 -3.295 1.00 0.00 H new ATOM 822 N TYR A 26 -3.296 -6.090 -4.693 1.00 0.00 N ATOM 823 CA TYR A 26 -2.701 -4.863 -4.072 1.00 0.00 C ATOM 824 C TYR A 26 -3.708 -4.149 -3.147 1.00 0.00 C ATOM 825 O TYR A 26 -4.874 -4.008 -3.467 1.00 0.00 O ATOM 826 CB TYR A 26 -2.304 -3.963 -5.265 1.00 0.00 C ATOM 827 CG TYR A 26 -2.558 -2.502 -4.934 1.00 0.00 C ATOM 828 CD1 TYR A 26 -1.597 -1.761 -4.229 1.00 0.00 C ATOM 829 CD2 TYR A 26 -3.760 -1.896 -5.321 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.840 -0.418 -3.914 1.00 0.00 C ATOM 831 CE2 TYR A 26 -4.004 -0.556 -5.007 1.00 0.00 C ATOM 832 CZ TYR A 26 -3.046 0.185 -4.305 1.00 0.00 C ATOM 833 OH TYR A 26 -3.299 1.510 -4.000 1.00 0.00 O ATOM 0 H TYR A 26 -3.549 -5.984 -5.675 1.00 0.00 H new ATOM 0 HA TYR A 26 -1.847 -5.106 -3.440 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.251 -4.110 -5.505 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.875 -4.247 -6.149 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.670 -2.226 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.500 -2.466 -5.863 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.101 0.153 -3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -4.932 -0.092 -5.306 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.505 1.908 -3.585 1.00 0.00 H new ATOM 843 N VAL A 27 -3.244 -3.678 -2.012 1.00 0.00 N ATOM 844 CA VAL A 27 -4.138 -2.944 -1.066 1.00 0.00 C ATOM 845 C VAL A 27 -3.658 -1.481 -0.950 1.00 0.00 C ATOM 846 O VAL A 27 -2.466 -1.226 -0.861 1.00 0.00 O ATOM 847 CB VAL A 27 -4.017 -3.691 0.273 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.516 -2.806 1.421 1.00 0.00 C ATOM 849 CG2 VAL A 27 -4.859 -4.971 0.221 1.00 0.00 C ATOM 0 H VAL A 27 -2.277 -3.773 -1.701 1.00 0.00 H new ATOM 0 HA VAL A 27 -5.177 -2.913 -1.395 1.00 0.00 H new ATOM 0 HB VAL A 27 -2.970 -3.941 0.444 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.425 -3.347 2.363 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.918 -1.896 1.465 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.561 -2.545 1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.774 -5.501 1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -5.903 -4.713 0.042 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.500 -5.610 -0.585 1.00 0.00 H new ATOM 859 N PRO A 28 -4.603 -0.574 -0.981 1.00 0.00 N ATOM 860 CA PRO A 28 -4.297 0.876 -0.904 1.00 0.00 C ATOM 861 C PRO A 28 -4.218 1.376 0.552 1.00 0.00 C ATOM 862 O PRO A 28 -4.867 0.848 1.429 1.00 0.00 O ATOM 863 CB PRO A 28 -5.479 1.512 -1.618 1.00 0.00 C ATOM 864 CG PRO A 28 -6.613 0.536 -1.496 1.00 0.00 C ATOM 865 CD PRO A 28 -6.044 -0.805 -1.092 1.00 0.00 C ATOM 0 HA PRO A 28 -3.329 1.119 -1.343 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.738 2.469 -1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -5.243 1.707 -2.664 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -7.333 0.882 -0.755 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -7.146 0.453 -2.443 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.465 -1.146 -0.146 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.267 -1.571 -1.835 1.00 0.00 H new ATOM 873 N ASN A 29 -3.431 2.400 0.800 1.00 0.00 N ATOM 874 CA ASN A 29 -3.307 2.963 2.190 1.00 0.00 C ATOM 875 C ASN A 29 -3.926 4.361 2.234 1.00 0.00 C ATOM 876 O ASN A 29 -3.766 5.137 1.312 1.00 0.00 O ATOM 877 CB ASN A 29 -1.802 3.038 2.475 1.00 0.00 C ATOM 878 CG ASN A 29 -1.317 4.489 2.405 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.373 5.213 3.384 1.00 0.00 O ATOM 880 ND2 ASN A 29 -0.834 4.947 1.287 1.00 0.00 N ATOM 0 H ASN A 29 -2.865 2.874 0.096 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.822 2.349 2.929 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.591 2.625 3.461 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.258 2.431 1.752 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -0.503 5.910 1.231 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -0.786 4.343 0.467 1.00 0.00 H new ATOM 887 N CYS A 30 -4.625 4.699 3.279 1.00 0.00 N ATOM 888 CA CYS A 30 -5.240 6.058 3.332 1.00 0.00 C ATOM 889 C CYS A 30 -4.953 6.817 4.614 1.00 0.00 C ATOM 890 O CYS A 30 -4.861 6.279 5.700 1.00 0.00 O ATOM 891 CB CYS A 30 -6.747 5.842 3.282 1.00 0.00 C ATOM 892 SG CYS A 30 -7.410 6.002 1.607 1.00 0.00 S ATOM 0 H CYS A 30 -4.797 4.105 4.090 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.829 6.643 2.509 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.983 4.851 3.670 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -7.237 6.565 3.935 1.00 0.00 H new ATOM 897 N ASP A 31 -4.932 8.096 4.450 1.00 0.00 N ATOM 898 CA ASP A 31 -4.794 9.052 5.572 1.00 0.00 C ATOM 899 C ASP A 31 -6.188 9.668 5.754 1.00 0.00 C ATOM 900 O ASP A 31 -7.093 9.366 4.989 1.00 0.00 O ATOM 901 CB ASP A 31 -3.768 10.095 5.103 1.00 0.00 C ATOM 902 CG ASP A 31 -4.043 11.454 5.737 1.00 0.00 C ATOM 903 OD1 ASP A 31 -3.697 11.628 6.891 1.00 0.00 O ATOM 904 OD2 ASP A 31 -4.601 12.295 5.060 1.00 0.00 O ATOM 0 H ASP A 31 -5.009 8.543 3.537 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.461 8.618 6.515 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.763 9.765 5.364 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.803 10.182 4.017 1.00 0.00 H new ATOM 909 N HIS A 32 -6.391 10.514 6.726 1.00 0.00 N ATOM 910 CA HIS A 32 -7.749 11.140 6.907 1.00 0.00 C ATOM 911 C HIS A 32 -8.281 11.699 5.567 1.00 0.00 C ATOM 912 O HIS A 32 -9.466 11.860 5.393 1.00 0.00 O ATOM 913 CB HIS A 32 -7.553 12.299 7.901 1.00 0.00 C ATOM 914 CG HIS A 32 -7.003 11.785 9.204 1.00 0.00 C ATOM 915 ND1 HIS A 32 -5.660 11.884 9.535 1.00 0.00 N ATOM 916 CD2 HIS A 32 -7.608 11.170 10.268 1.00 0.00 C ATOM 917 CE1 HIS A 32 -5.505 11.340 10.755 1.00 0.00 C ATOM 918 NE2 HIS A 32 -6.663 10.889 11.247 1.00 0.00 N ATOM 0 H HIS A 32 -5.685 10.803 7.403 1.00 0.00 H new ATOM 0 HA HIS A 32 -8.469 10.405 7.266 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -6.873 13.038 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -8.504 12.803 8.074 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -8.661 10.938 10.336 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.560 11.275 11.274 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -6.819 10.436 12.147 1.00 0.00 H new ATOM 926 N ARG A 33 -7.413 12.001 4.628 1.00 0.00 N ATOM 927 CA ARG A 33 -7.849 12.555 3.312 1.00 0.00 C ATOM 928 C ARG A 33 -8.282 11.432 2.330 1.00 0.00 C ATOM 929 O ARG A 33 -8.675 11.697 1.206 1.00 0.00 O ATOM 930 CB ARG A 33 -6.595 13.295 2.824 1.00 0.00 C ATOM 931 CG ARG A 33 -6.612 13.440 1.308 1.00 0.00 C ATOM 932 CD ARG A 33 -7.733 14.400 0.909 1.00 0.00 C ATOM 933 NE ARG A 33 -7.263 15.750 1.336 1.00 0.00 N ATOM 934 CZ ARG A 33 -6.609 16.508 0.496 1.00 0.00 C ATOM 935 NH1 ARG A 33 -7.265 17.226 -0.377 1.00 0.00 N ATOM 936 NH2 ARG A 33 -5.300 16.527 0.526 1.00 0.00 N ATOM 0 H ARG A 33 -6.404 11.883 4.724 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.724 13.201 3.384 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.544 14.280 3.288 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -5.702 12.751 3.132 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -5.652 13.816 0.956 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.765 12.468 0.839 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.915 14.368 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.670 14.136 1.399 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.452 16.081 2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.284 17.194 -0.401 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.758 17.819 -1.034 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -4.797 15.952 1.202 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -4.783 17.116 -0.127 1.00 0.00 H new ATOM 950 N GLY A 34 -8.241 10.189 2.736 1.00 0.00 N ATOM 951 CA GLY A 34 -8.664 9.077 1.822 1.00 0.00 C ATOM 952 C GLY A 34 -7.699 8.904 0.637 1.00 0.00 C ATOM 953 O GLY A 34 -7.921 8.061 -0.216 1.00 0.00 O ATOM 0 H GLY A 34 -7.933 9.892 3.662 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.716 8.145 2.385 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.667 9.279 1.446 1.00 0.00 H new ATOM 957 N PHE A 35 -6.637 9.659 0.560 1.00 0.00 N ATOM 958 CA PHE A 35 -5.689 9.475 -0.577 1.00 0.00 C ATOM 959 C PHE A 35 -4.634 8.428 -0.189 1.00 0.00 C ATOM 960 O PHE A 35 -4.538 8.042 0.962 1.00 0.00 O ATOM 961 CB PHE A 35 -5.038 10.844 -0.793 1.00 0.00 C ATOM 962 CG PHE A 35 -5.613 11.481 -2.037 1.00 0.00 C ATOM 963 CD1 PHE A 35 -5.039 11.221 -3.289 1.00 0.00 C ATOM 964 CD2 PHE A 35 -6.721 12.332 -1.938 1.00 0.00 C ATOM 965 CE1 PHE A 35 -5.576 11.815 -4.438 1.00 0.00 C ATOM 966 CE2 PHE A 35 -7.255 12.925 -3.087 1.00 0.00 C ATOM 967 CZ PHE A 35 -6.681 12.665 -4.337 1.00 0.00 C ATOM 0 H PHE A 35 -6.386 10.388 1.227 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.183 9.126 -1.484 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -5.215 11.484 0.072 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -3.958 10.734 -0.893 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -4.185 10.564 -3.367 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -7.164 12.531 -0.973 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -5.136 11.616 -5.404 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.109 13.582 -3.010 1.00 0.00 H new ATOM 0 HZ PHE A 35 -7.093 13.122 -5.225 1.00 0.00 H new ATOM 977 N TYR A 36 -3.828 7.984 -1.124 1.00 0.00 N ATOM 978 CA TYR A 36 -2.761 6.986 -0.781 1.00 0.00 C ATOM 979 C TYR A 36 -1.736 7.747 0.043 1.00 0.00 C ATOM 980 O TYR A 36 -0.901 8.434 -0.506 1.00 0.00 O ATOM 981 CB TYR A 36 -2.162 6.524 -2.123 1.00 0.00 C ATOM 982 CG TYR A 36 -3.260 5.969 -3.008 1.00 0.00 C ATOM 983 CD1 TYR A 36 -3.592 4.612 -2.943 1.00 0.00 C ATOM 984 CD2 TYR A 36 -3.952 6.818 -3.883 1.00 0.00 C ATOM 985 CE1 TYR A 36 -4.614 4.104 -3.754 1.00 0.00 C ATOM 986 CE2 TYR A 36 -4.974 6.307 -4.687 1.00 0.00 C ATOM 987 CZ TYR A 36 -5.304 4.951 -4.622 1.00 0.00 C ATOM 988 OH TYR A 36 -6.315 4.449 -5.414 1.00 0.00 O ATOM 0 H TYR A 36 -3.861 8.266 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.114 6.119 -0.223 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.669 7.360 -2.619 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.401 5.763 -1.950 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.061 3.957 -2.268 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -3.695 7.866 -3.936 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.869 3.055 -3.708 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -5.509 6.961 -5.359 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.344 3.473 -5.328 1.00 0.00 H new ATOM 998 N ARG A 37 -1.836 7.734 1.351 1.00 0.00 N ATOM 999 CA ARG A 37 -0.890 8.595 2.105 1.00 0.00 C ATOM 1000 C ARG A 37 0.530 8.054 2.277 1.00 0.00 C ATOM 1001 O ARG A 37 1.477 8.655 1.809 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.534 8.784 3.468 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.667 9.735 4.290 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.687 11.147 3.681 1.00 0.00 C ATOM 1005 NE ARG A 37 0.497 11.209 2.768 1.00 0.00 N ATOM 1006 CZ ARG A 37 1.700 11.406 3.251 1.00 0.00 C ATOM 1007 NH1 ARG A 37 1.959 12.490 3.935 1.00 0.00 N ATOM 1008 NH2 ARG A 37 2.638 10.522 3.041 1.00 0.00 N ATOM 0 H ARG A 37 -2.500 7.190 1.902 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.740 9.513 1.536 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.540 9.189 3.358 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.630 7.825 3.977 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.030 9.771 5.317 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.357 9.363 4.326 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -1.613 11.325 3.134 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -0.624 11.910 4.457 1.00 0.00 H new ATOM 0 HE ARG A 37 0.367 11.097 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 37 1.226 13.181 4.092 1.00 0.00 H new ATOM 0 HH12 ARG A 37 2.894 12.644 4.311 1.00 0.00 H new ATOM 0 HH21 ARG A 37 2.434 9.680 2.502 1.00 0.00 H new ATOM 0 HH22 ARG A 37 3.575 10.673 3.416 1.00 0.00 H new ATOM 1022 N LYS A 38 0.701 6.982 2.977 1.00 0.00 N ATOM 1023 CA LYS A 38 2.093 6.480 3.202 1.00 0.00 C ATOM 1024 C LYS A 38 2.567 5.342 2.284 1.00 0.00 C ATOM 1025 O LYS A 38 3.657 5.390 1.749 1.00 0.00 O ATOM 1026 CB LYS A 38 2.079 5.997 4.651 1.00 0.00 C ATOM 1027 CG LYS A 38 3.515 5.916 5.168 1.00 0.00 C ATOM 1028 CD LYS A 38 3.538 5.273 6.558 1.00 0.00 C ATOM 1029 CE LYS A 38 3.285 6.342 7.629 1.00 0.00 C ATOM 1030 NZ LYS A 38 4.006 5.869 8.840 1.00 0.00 N ATOM 0 H LYS A 38 -0.043 6.430 3.403 1.00 0.00 H new ATOM 0 HA LYS A 38 2.795 7.283 2.978 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.495 6.680 5.269 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.601 5.020 4.716 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.126 5.333 4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.950 6.914 5.213 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.778 4.495 6.621 1.00 0.00 H new ATOM 0 HD3 LYS A 38 4.501 4.793 6.731 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.655 7.315 7.307 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.219 6.456 7.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 3.875 6.554 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.628 4.944 9.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 5.020 5.778 8.627 1.00 0.00 H new ATOM 1044 N ARG A 39 1.811 4.282 2.182 1.00 0.00 N ATOM 1045 CA ARG A 39 2.288 3.107 1.387 1.00 0.00 C ATOM 1046 C ARG A 39 1.398 2.709 0.195 1.00 0.00 C ATOM 1047 O ARG A 39 0.276 3.143 0.035 1.00 0.00 O ATOM 1048 CB ARG A 39 2.331 1.966 2.421 1.00 0.00 C ATOM 1049 CG ARG A 39 1.060 1.114 2.299 1.00 0.00 C ATOM 1050 CD ARG A 39 0.640 0.547 3.656 1.00 0.00 C ATOM 1051 NE ARG A 39 1.843 -0.143 4.197 1.00 0.00 N ATOM 1052 CZ ARG A 39 1.951 -0.337 5.481 1.00 0.00 C ATOM 1053 NH1 ARG A 39 1.026 -1.004 6.121 1.00 0.00 N ATOM 1054 NH2 ARG A 39 2.969 0.156 6.128 1.00 0.00 N ATOM 0 H ARG A 39 0.891 4.176 2.610 1.00 0.00 H new ATOM 0 HA ARG A 39 3.243 3.342 0.916 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.213 1.347 2.258 1.00 0.00 H new ATOM 0 HB3 ARG A 39 2.411 2.376 3.428 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.252 1.719 1.889 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.233 0.297 1.599 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.310 1.341 4.326 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.194 -0.147 3.549 1.00 0.00 H new ATOM 0 HE ARG A 39 2.578 -0.462 3.566 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.220 -1.372 5.615 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.110 -1.156 7.126 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.679 0.692 5.629 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.056 0.006 7.133 1.00 0.00 H new ATOM 1068 N GLN A 40 1.904 1.777 -0.563 1.00 0.00 N ATOM 1069 CA GLN A 40 1.174 1.142 -1.703 1.00 0.00 C ATOM 1070 C GLN A 40 1.609 -0.326 -1.644 1.00 0.00 C ATOM 1071 O GLN A 40 2.799 -0.586 -1.613 1.00 0.00 O ATOM 1072 CB GLN A 40 1.688 1.827 -2.972 1.00 0.00 C ATOM 1073 CG GLN A 40 1.060 3.218 -3.083 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.180 3.145 -3.964 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.210 2.672 -3.533 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.128 3.591 -5.184 1.00 0.00 N ATOM 0 H GLN A 40 2.846 1.409 -0.431 1.00 0.00 H new ATOM 0 HA GLN A 40 0.088 1.226 -1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.775 1.907 -2.942 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.437 1.230 -3.849 1.00 0.00 H new ATOM 0 HG2 GLN A 40 0.795 3.589 -2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.778 3.921 -3.505 1.00 0.00 H new ATOM 0 HE21 GLN A 40 0.739 3.989 -5.545 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -0.954 3.543 -5.780 1.00 0.00 H new ATOM 1085 N CYS A 41 0.726 -1.293 -1.555 1.00 0.00 N ATOM 1086 CA CYS A 41 1.263 -2.688 -1.421 1.00 0.00 C ATOM 1087 C CYS A 41 0.639 -3.720 -2.342 1.00 0.00 C ATOM 1088 O CYS A 41 -0.563 -3.820 -2.484 1.00 0.00 O ATOM 1089 CB CYS A 41 0.980 -3.126 0.028 1.00 0.00 C ATOM 1090 SG CYS A 41 1.271 -1.775 1.198 1.00 0.00 S ATOM 0 H CYS A 41 -0.289 -1.191 -1.568 1.00 0.00 H new ATOM 0 HA CYS A 41 2.318 -2.649 -1.692 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.052 -3.465 0.112 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.616 -3.974 0.284 1.00 0.00 H new ATOM 1095 N ARG A 42 1.488 -4.572 -2.847 1.00 0.00 N ATOM 1096 CA ARG A 42 1.054 -5.737 -3.655 1.00 0.00 C ATOM 1097 C ARG A 42 1.093 -6.877 -2.644 1.00 0.00 C ATOM 1098 O ARG A 42 2.122 -7.078 -2.011 1.00 0.00 O ATOM 1099 CB ARG A 42 2.121 -5.905 -4.728 1.00 0.00 C ATOM 1100 CG ARG A 42 1.494 -5.749 -6.108 1.00 0.00 C ATOM 1101 CD ARG A 42 1.929 -6.928 -6.974 1.00 0.00 C ATOM 1102 NE ARG A 42 0.670 -7.610 -7.371 1.00 0.00 N ATOM 1103 CZ ARG A 42 -0.070 -7.117 -8.326 1.00 0.00 C ATOM 1104 NH1 ARG A 42 0.467 -6.808 -9.479 1.00 0.00 N ATOM 1105 NH2 ARG A 42 -1.337 -6.914 -8.118 1.00 0.00 N ATOM 0 H ARG A 42 2.498 -4.502 -2.726 1.00 0.00 H new ATOM 0 HA ARG A 42 0.079 -5.668 -4.137 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.908 -5.164 -4.590 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.588 -6.886 -4.639 1.00 0.00 H new ATOM 0 HG2 ARG A 42 0.407 -5.718 -6.029 1.00 0.00 H new ATOM 0 HG3 ARG A 42 1.808 -4.809 -6.562 1.00 0.00 H new ATOM 0 HD2 ARG A 42 2.485 -6.590 -7.848 1.00 0.00 H new ATOM 0 HD3 ARG A 42 2.583 -7.602 -6.421 1.00 0.00 H new ATOM 0 HE ARG A 42 0.383 -8.466 -6.896 1.00 0.00 H new ATOM 0 HH11 ARG A 42 1.465 -6.953 -9.632 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -0.113 -6.423 -10.225 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -1.748 -7.140 -7.212 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.920 -6.529 -8.861 1.00 0.00 H new ATOM 1119 N SER A 43 -0.007 -7.543 -2.405 1.00 0.00 N ATOM 1120 CA SER A 43 -0.013 -8.568 -1.316 1.00 0.00 C ATOM 1121 C SER A 43 -0.543 -9.932 -1.738 1.00 0.00 C ATOM 1122 O SER A 43 -1.608 -10.048 -2.318 1.00 0.00 O ATOM 1123 CB SER A 43 -0.945 -7.966 -0.260 1.00 0.00 C ATOM 1124 OG SER A 43 -0.800 -6.545 -0.237 1.00 0.00 O ATOM 0 H SER A 43 -0.888 -7.426 -2.906 1.00 0.00 H new ATOM 0 HA SER A 43 1.005 -8.763 -0.978 1.00 0.00 H new ATOM 0 HB2 SER A 43 -1.979 -8.231 -0.481 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.713 -8.380 0.721 1.00 0.00 H new ATOM 0 HG SER A 43 -1.400 -6.166 0.439 1.00 0.00 H new ATOM 1251 N CYS A 52 5.184 -4.455 -0.771 1.00 0.00 N ATOM 1252 CA CYS A 52 4.609 -3.120 -0.413 1.00 0.00 C ATOM 1253 C CYS A 52 5.721 -2.059 -0.387 1.00 0.00 C ATOM 1254 O CYS A 52 6.846 -2.344 -0.014 1.00 0.00 O ATOM 1255 CB CYS A 52 3.959 -3.260 0.969 1.00 0.00 C ATOM 1256 SG CYS A 52 3.277 -1.652 1.456 1.00 0.00 S ATOM 0 HA CYS A 52 3.869 -2.803 -1.148 1.00 0.00 H new ATOM 0 HB2 CYS A 52 3.171 -4.012 0.941 1.00 0.00 H new ATOM 0 HB3 CYS A 52 4.694 -3.596 1.700 1.00 0.00 H new ATOM 1261 N TRP A 53 5.413 -0.842 -0.769 1.00 0.00 N ATOM 1262 CA TRP A 53 6.447 0.244 -0.752 1.00 0.00 C ATOM 1263 C TRP A 53 5.825 1.568 -0.273 1.00 0.00 C ATOM 1264 O TRP A 53 4.616 1.710 -0.203 1.00 0.00 O ATOM 1265 CB TRP A 53 6.980 0.350 -2.192 1.00 0.00 C ATOM 1266 CG TRP A 53 5.897 0.764 -3.140 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.604 2.041 -3.471 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.977 -0.078 -3.901 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.559 2.039 -4.378 1.00 0.00 N ATOM 1270 CE2 TRP A 53 4.134 0.757 -4.672 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.780 -1.473 -3.987 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 3.145 0.232 -5.506 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.788 -2.006 -4.831 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.970 -1.154 -5.584 1.00 0.00 C ATOM 0 H TRP A 53 4.490 -0.553 -1.092 1.00 0.00 H new ATOM 0 HA TRP A 53 7.260 0.021 -0.061 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.795 1.073 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.391 -0.611 -2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.104 2.919 -3.090 1.00 0.00 H new ATOM 0 HE1 TRP A 53 4.151 2.882 -4.781 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.396 -2.138 -3.400 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.519 0.892 -6.088 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.657 -3.076 -4.898 1.00 0.00 H new ATOM 0 HH2 TRP A 53 2.205 -1.567 -6.224 1.00 0.00 H new ATOM 1285 N CYS A 54 6.647 2.530 0.071 1.00 0.00 N ATOM 1286 CA CYS A 54 6.116 3.841 0.564 1.00 0.00 C ATOM 1287 C CYS A 54 5.826 4.778 -0.612 1.00 0.00 C ATOM 1288 O CYS A 54 6.472 4.713 -1.641 1.00 0.00 O ATOM 1289 CB CYS A 54 7.217 4.419 1.454 1.00 0.00 C ATOM 1290 SG CYS A 54 6.787 4.159 3.193 1.00 0.00 S ATOM 0 H CYS A 54 7.664 2.464 0.032 1.00 0.00 H new ATOM 0 HA CYS A 54 5.180 3.720 1.109 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.170 3.940 1.229 1.00 0.00 H new ATOM 0 HB3 CYS A 54 7.340 5.483 1.254 1.00 0.00 H new ATOM 0 HG CYS A 54 7.724 4.649 3.950 1.00 0.00 H new ATOM 1295 N VAL A 55 4.850 5.641 -0.468 1.00 0.00 N ATOM 1296 CA VAL A 55 4.486 6.576 -1.582 1.00 0.00 C ATOM 1297 C VAL A 55 3.998 7.924 -1.044 1.00 0.00 C ATOM 1298 O VAL A 55 3.722 8.072 0.132 1.00 0.00 O ATOM 1299 CB VAL A 55 3.350 5.889 -2.333 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.877 4.638 -3.036 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.242 5.503 -1.345 1.00 0.00 C ATOM 0 H VAL A 55 4.286 5.739 0.376 1.00 0.00 H new ATOM 0 HA VAL A 55 5.349 6.780 -2.215 1.00 0.00 H new ATOM 0 HB VAL A 55 2.945 6.572 -3.079 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.062 4.151 -3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.658 4.919 -3.743 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.288 3.951 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.430 5.012 -1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.644 4.822 -0.595 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.863 6.400 -0.855 1.00 0.00 H new ATOM 1311 N ASP A 56 3.867 8.899 -1.911 1.00 0.00 N ATOM 1312 CA ASP A 56 3.368 10.230 -1.485 1.00 0.00 C ATOM 1313 C ASP A 56 1.841 10.213 -1.509 1.00 0.00 C ATOM 1314 O ASP A 56 1.227 9.221 -1.849 1.00 0.00 O ATOM 1315 CB ASP A 56 3.923 11.238 -2.506 1.00 0.00 C ATOM 1316 CG ASP A 56 3.041 11.281 -3.754 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.985 10.292 -4.455 1.00 0.00 O ATOM 1318 OD2 ASP A 56 2.442 12.315 -3.991 1.00 0.00 O ATOM 0 H ASP A 56 4.089 8.822 -2.904 1.00 0.00 H new ATOM 0 HA ASP A 56 3.684 10.494 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.974 12.229 -2.056 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.940 10.961 -2.782 1.00 0.00 H new ATOM 1323 N ARG A 57 1.240 11.304 -1.149 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.263 11.390 -1.127 1.00 0.00 C ATOM 1325 C ARG A 57 -0.896 10.875 -2.437 1.00 0.00 C ATOM 1326 O ARG A 57 -2.018 10.396 -2.439 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.580 12.881 -0.919 1.00 0.00 C ATOM 1328 CG ARG A 57 0.091 13.734 -2.006 1.00 0.00 C ATOM 1329 CD ARG A 57 0.789 14.932 -1.355 1.00 0.00 C ATOM 1330 NE ARG A 57 1.575 15.565 -2.452 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.881 15.542 -2.417 1.00 0.00 C ATOM 1332 NH1 ARG A 57 3.516 14.505 -2.888 1.00 0.00 N ATOM 1333 NH2 ARG A 57 3.543 16.545 -1.901 1.00 0.00 N ATOM 0 H ARG A 57 1.720 12.157 -0.863 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.677 10.763 -0.337 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.659 13.036 -0.942 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.234 13.198 0.065 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.814 13.135 -2.559 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -0.653 14.079 -2.724 1.00 0.00 H new ATOM 0 HD2 ARG A 57 0.065 15.630 -0.935 1.00 0.00 H new ATOM 0 HD3 ARG A 57 1.437 14.615 -0.538 1.00 0.00 H new ATOM 0 HE ARG A 57 1.093 16.016 -3.230 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.993 13.721 -3.279 1.00 0.00 H new ATOM 0 HH12 ARG A 57 4.535 14.478 -2.865 1.00 0.00 H new ATOM 0 HH21 ARG A 57 3.040 17.348 -1.524 1.00 0.00 H new ATOM 0 HH22 ARG A 57 4.562 16.524 -1.875 1.00 0.00 H new ATOM 1347 N MET A 58 -0.205 10.972 -3.545 1.00 0.00 N ATOM 1348 CA MET A 58 -0.793 10.488 -4.831 1.00 0.00 C ATOM 1349 C MET A 58 -0.589 8.976 -4.977 1.00 0.00 C ATOM 1350 O MET A 58 -1.293 8.319 -5.722 1.00 0.00 O ATOM 1351 CB MET A 58 -0.043 11.240 -5.936 1.00 0.00 C ATOM 1352 CG MET A 58 -0.178 12.750 -5.717 1.00 0.00 C ATOM 1353 SD MET A 58 -1.440 13.419 -6.830 1.00 0.00 S ATOM 1354 CE MET A 58 -2.876 12.631 -6.055 1.00 0.00 C ATOM 0 H MET A 58 0.735 11.363 -3.615 1.00 0.00 H new ATOM 0 HA MET A 58 -1.867 10.670 -4.878 1.00 0.00 H new ATOM 0 HB2 MET A 58 1.009 10.955 -5.933 1.00 0.00 H new ATOM 0 HB3 MET A 58 -0.445 10.967 -6.912 1.00 0.00 H new ATOM 0 HG2 MET A 58 -0.448 12.954 -4.681 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.778 13.240 -5.899 1.00 0.00 H new ATOM 0 HE1 MET A 58 -3.771 13.216 -6.267 1.00 0.00 H new ATOM 0 HE2 MET A 58 -2.998 11.624 -6.454 1.00 0.00 H new ATOM 0 HE3 MET A 58 -2.724 12.578 -4.977 1.00 0.00 H new ATOM 1364 N GLY A 59 0.353 8.418 -4.267 1.00 0.00 N ATOM 1365 CA GLY A 59 0.590 6.949 -4.351 1.00 0.00 C ATOM 1366 C GLY A 59 1.845 6.639 -5.172 1.00 0.00 C ATOM 1367 O GLY A 59 2.062 5.505 -5.558 1.00 0.00 O ATOM 0 H GLY A 59 0.972 8.919 -3.629 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.697 6.537 -3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.274 6.463 -4.804 1.00 0.00 H new ATOM 1371 N LYS A 60 2.680 7.613 -5.447 1.00 0.00 N ATOM 1372 CA LYS A 60 3.902 7.342 -6.232 1.00 0.00 C ATOM 1373 C LYS A 60 5.019 6.861 -5.298 1.00 0.00 C ATOM 1374 O LYS A 60 5.228 7.424 -4.241 1.00 0.00 O ATOM 1375 CB LYS A 60 4.253 8.695 -6.848 1.00 0.00 C ATOM 1376 CG LYS A 60 5.601 8.596 -7.535 1.00 0.00 C ATOM 1377 CD LYS A 60 6.558 9.644 -6.954 1.00 0.00 C ATOM 1378 CE LYS A 60 7.888 9.627 -7.723 1.00 0.00 C ATOM 1379 NZ LYS A 60 8.470 8.275 -7.487 1.00 0.00 N ATOM 0 H LYS A 60 2.558 8.583 -5.156 1.00 0.00 H new ATOM 0 HA LYS A 60 3.768 6.568 -6.987 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.487 8.991 -7.565 1.00 0.00 H new ATOM 0 HB3 LYS A 60 4.281 9.463 -6.075 1.00 0.00 H new ATOM 0 HG2 LYS A 60 6.016 7.597 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 60 5.485 8.751 -8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.106 10.634 -7.015 1.00 0.00 H new ATOM 0 HD3 LYS A 60 6.737 9.440 -5.898 1.00 0.00 H new ATOM 0 HE2 LYS A 60 7.728 9.805 -8.786 1.00 0.00 H new ATOM 0 HE3 LYS A 60 8.557 10.410 -7.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 9.499 8.310 -7.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.266 7.975 -6.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 8.051 7.595 -8.154 1.00 0.00 H new ATOM 1393 N SER A 61 5.740 5.838 -5.685 1.00 0.00 N ATOM 1394 CA SER A 61 6.854 5.328 -4.823 1.00 0.00 C ATOM 1395 C SER A 61 7.732 6.504 -4.380 1.00 0.00 C ATOM 1396 O SER A 61 8.424 7.115 -5.180 1.00 0.00 O ATOM 1397 CB SER A 61 7.643 4.359 -5.706 1.00 0.00 C ATOM 1398 OG SER A 61 6.785 3.827 -6.711 1.00 0.00 O ATOM 0 H SER A 61 5.606 5.333 -6.561 1.00 0.00 H new ATOM 0 HA SER A 61 6.494 4.833 -3.921 1.00 0.00 H new ATOM 0 HB2 SER A 61 8.485 4.874 -6.167 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.056 3.552 -5.100 1.00 0.00 H new ATOM 0 HG SER A 61 7.290 3.208 -7.278 1.00 0.00 H new ATOM 1404 N LEU A 62 7.669 6.846 -3.124 1.00 0.00 N ATOM 1405 CA LEU A 62 8.464 8.002 -2.608 1.00 0.00 C ATOM 1406 C LEU A 62 9.813 7.552 -2.041 1.00 0.00 C ATOM 1407 O LEU A 62 9.864 7.030 -0.939 1.00 0.00 O ATOM 1408 CB LEU A 62 7.625 8.607 -1.485 1.00 0.00 C ATOM 1409 CG LEU A 62 6.894 9.864 -1.975 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.384 10.649 -0.773 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.840 10.753 -2.786 1.00 0.00 C ATOM 0 H LEU A 62 7.097 6.372 -2.425 1.00 0.00 H new ATOM 0 HA LEU A 62 8.675 8.709 -3.410 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.901 7.874 -1.129 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.266 8.858 -0.640 1.00 0.00 H new ATOM 0 HG LEU A 62 6.061 9.560 -2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.864 11.543 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.697 10.028 -0.198 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.226 10.938 -0.144 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.305 11.640 -3.125 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.681 11.054 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.209 10.199 -3.649 1.00 0.00 H new