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 31:sc= 0.628 USER MOD Set 1.2: A 40 GLN : amide:sc= -5.17! C(o=-4.5!,f=-9!) USER MOD Set 2.1: A 6 HIS : no HE2:sc= 0.749 K(o=0.75,f=-2.3!) USER MOD Set 2.2: A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -171:sc= -1.43 (180deg=-1.44) USER MOD Single : A 9 SER OG : rot 84:sc= 1.2 USER MOD Single : A 12 GLN : amide:sc= 0.0151 X(o=0.015,f=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.266 K(o=-0.27,f=-0.9) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 34:sc= 0.186 USER MOD Single : A 29 ASN : amide:sc= -3.65! C(o=-3.7!,f=-10!) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 148:sc= -0.183 (180deg=-1.18!) 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 162:sc= -0.0671 (180deg=-0.795) USER MOD Single : A 60 LYS NZ :NH3+ 135:sc= 1.22 (180deg=0.393) USER MOD Single : A 61 SER OG : rot 180:sc= 0.0158 USER MOD ----------------------------------------------------------------- ATOM 422 N GLY A 1 -11.603 9.628 1.814 1.00 0.00 N ATOM 423 CA GLY A 1 -10.723 10.040 0.679 1.00 0.00 C ATOM 424 C GLY A 1 -10.884 9.043 -0.474 1.00 0.00 C ATOM 425 O GLY A 1 -11.545 8.034 -0.321 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.614 10.378 2.534 1.00 0.00 H new ATOM 0 H2 GLY A 1 -12.569 9.469 1.464 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.239 8.749 2.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.986 11.044 0.346 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.683 10.073 1.004 1.00 0.00 H new ATOM 429 N PRO A 2 -10.273 9.354 -1.593 1.00 0.00 N ATOM 430 CA PRO A 2 -10.368 8.476 -2.796 1.00 0.00 C ATOM 431 C PRO A 2 -9.820 7.075 -2.514 1.00 0.00 C ATOM 432 O PRO A 2 -10.425 6.082 -2.876 1.00 0.00 O ATOM 433 CB PRO A 2 -9.530 9.221 -3.843 1.00 0.00 C ATOM 434 CG PRO A 2 -8.611 10.088 -3.046 1.00 0.00 C ATOM 435 CD PRO A 2 -9.419 10.524 -1.852 1.00 0.00 C ATOM 0 HA PRO A 2 -11.394 8.308 -3.122 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -8.973 8.526 -4.472 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -10.160 9.815 -4.505 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -7.719 9.541 -2.740 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -8.274 10.946 -3.628 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -8.784 10.759 -0.998 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -10.008 11.416 -2.066 1.00 0.00 H new ATOM 443 N CYS A 3 -8.694 6.984 -1.863 1.00 0.00 N ATOM 444 CA CYS A 3 -8.122 5.644 -1.551 1.00 0.00 C ATOM 445 C CYS A 3 -9.053 4.903 -0.585 1.00 0.00 C ATOM 446 O CYS A 3 -9.258 3.718 -0.715 1.00 0.00 O ATOM 447 CB CYS A 3 -6.744 5.909 -0.920 1.00 0.00 C ATOM 448 SG CYS A 3 -6.001 4.359 -0.360 1.00 0.00 S ATOM 0 H CYS A 3 -8.145 7.778 -1.534 1.00 0.00 H new ATOM 0 HA CYS A 3 -8.020 5.017 -2.437 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.091 6.392 -1.647 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.847 6.595 -0.079 1.00 0.00 H new ATOM 453 N ARG A 4 -9.637 5.590 0.373 1.00 0.00 N ATOM 454 CA ARG A 4 -10.562 4.897 1.328 1.00 0.00 C ATOM 455 C ARG A 4 -11.709 4.212 0.567 1.00 0.00 C ATOM 456 O ARG A 4 -12.043 3.074 0.840 1.00 0.00 O ATOM 457 CB ARG A 4 -11.104 6.000 2.246 1.00 0.00 C ATOM 458 CG ARG A 4 -12.165 5.418 3.193 1.00 0.00 C ATOM 459 CD ARG A 4 -11.572 4.261 4.011 1.00 0.00 C ATOM 460 NE ARG A 4 -12.198 3.027 3.450 1.00 0.00 N ATOM 461 CZ ARG A 4 -12.637 2.091 4.250 1.00 0.00 C ATOM 462 NH1 ARG A 4 -11.799 1.236 4.770 1.00 0.00 N ATOM 463 NH2 ARG A 4 -13.904 2.030 4.550 1.00 0.00 N ATOM 0 H ARG A 4 -9.514 6.590 0.533 1.00 0.00 H new ATOM 0 HA ARG A 4 -10.051 4.118 1.893 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -10.290 6.438 2.823 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -11.538 6.802 1.649 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -12.530 6.196 3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -13.021 5.065 2.618 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -10.486 4.229 3.919 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -11.799 4.371 5.071 1.00 0.00 H new ATOM 0 HE ARG A 4 -12.283 2.914 2.440 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -10.805 1.299 4.552 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -12.139 0.505 5.395 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -14.554 2.713 4.160 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -14.246 1.299 5.174 1.00 0.00 H new ATOM 477 N ARG A 5 -12.310 4.890 -0.377 1.00 0.00 N ATOM 478 CA ARG A 5 -13.430 4.263 -1.152 1.00 0.00 C ATOM 479 C ARG A 5 -12.887 3.102 -1.984 1.00 0.00 C ATOM 480 O ARG A 5 -13.484 2.042 -2.062 1.00 0.00 O ATOM 481 CB ARG A 5 -13.970 5.374 -2.056 1.00 0.00 C ATOM 482 CG ARG A 5 -14.681 6.416 -1.192 1.00 0.00 C ATOM 483 CD ARG A 5 -13.981 7.774 -1.333 1.00 0.00 C ATOM 484 NE ARG A 5 -14.889 8.636 -2.139 1.00 0.00 N ATOM 485 CZ ARG A 5 -14.438 9.774 -2.607 1.00 0.00 C ATOM 486 NH1 ARG A 5 -13.952 10.670 -1.783 1.00 0.00 N ATOM 487 NH2 ARG A 5 -14.434 9.991 -3.896 1.00 0.00 N ATOM 0 H ARG A 5 -12.077 5.846 -0.646 1.00 0.00 H new ATOM 0 HA ARG A 5 -14.212 3.862 -0.507 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -13.154 5.838 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -14.660 4.960 -2.791 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -15.725 6.502 -1.495 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -14.676 6.101 -0.149 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -13.793 8.217 -0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -13.014 7.663 -1.824 1.00 0.00 H new ATOM 0 HE ARG A 5 -15.849 8.345 -2.324 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -13.926 10.480 -0.781 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -13.600 11.557 -2.144 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -14.781 9.276 -4.535 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -14.084 10.876 -4.263 1.00 0.00 H new ATOM 501 N HIS A 6 -11.747 3.291 -2.589 1.00 0.00 N ATOM 502 CA HIS A 6 -11.143 2.201 -3.402 1.00 0.00 C ATOM 503 C HIS A 6 -10.655 1.085 -2.480 1.00 0.00 C ATOM 504 O HIS A 6 -10.738 -0.074 -2.823 1.00 0.00 O ATOM 505 CB HIS A 6 -9.972 2.842 -4.158 1.00 0.00 C ATOM 506 CG HIS A 6 -10.499 3.506 -5.400 1.00 0.00 C ATOM 507 ND1 HIS A 6 -10.963 4.812 -5.402 1.00 0.00 N ATOM 508 CD2 HIS A 6 -10.680 3.042 -6.677 1.00 0.00 C ATOM 509 CE1 HIS A 6 -11.403 5.083 -6.646 1.00 0.00 C ATOM 510 NE2 HIS A 6 -11.254 4.038 -7.463 1.00 0.00 N ATOM 0 H HIS A 6 -11.207 4.156 -2.555 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.857 1.758 -4.096 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.469 3.573 -3.524 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.233 2.085 -4.420 1.00 0.00 H new ATOM 0 HD1 HIS A 6 -10.970 5.451 -4.607 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.417 2.053 -7.022 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.825 6.031 -6.946 1.00 0.00 H new ATOM 518 N LEU A 7 -10.159 1.416 -1.312 1.00 0.00 N ATOM 519 CA LEU A 7 -9.677 0.349 -0.388 1.00 0.00 C ATOM 520 C LEU A 7 -10.826 -0.590 -0.031 1.00 0.00 C ATOM 521 O LEU A 7 -10.727 -1.787 -0.205 1.00 0.00 O ATOM 522 CB LEU A 7 -9.182 1.078 0.864 1.00 0.00 C ATOM 523 CG LEU A 7 -7.831 0.508 1.297 1.00 0.00 C ATOM 524 CD1 LEU A 7 -7.484 1.046 2.678 1.00 0.00 C ATOM 525 CD2 LEU A 7 -7.896 -1.020 1.368 1.00 0.00 C ATOM 0 H LEU A 7 -10.069 2.370 -0.963 1.00 0.00 H new ATOM 0 HA LEU A 7 -8.890 -0.254 -0.840 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -9.088 2.145 0.661 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -9.908 0.969 1.670 1.00 0.00 H new ATOM 0 HG LEU A 7 -7.074 0.803 0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -6.521 0.644 2.994 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -7.428 2.134 2.641 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -8.254 0.746 3.389 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.927 -1.411 1.678 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -8.656 -1.319 2.090 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -8.152 -1.419 0.387 1.00 0.00 H new ATOM 537 N ASP A 8 -11.921 -0.054 0.444 1.00 0.00 N ATOM 538 CA ASP A 8 -13.086 -0.920 0.805 1.00 0.00 C ATOM 539 C ASP A 8 -13.555 -1.705 -0.424 1.00 0.00 C ATOM 540 O ASP A 8 -13.817 -2.893 -0.357 1.00 0.00 O ATOM 541 CB ASP A 8 -14.179 0.047 1.270 1.00 0.00 C ATOM 542 CG ASP A 8 -15.006 -0.604 2.374 1.00 0.00 C ATOM 543 OD1 ASP A 8 -14.571 -0.579 3.510 1.00 0.00 O ATOM 544 OD2 ASP A 8 -16.067 -1.115 2.070 1.00 0.00 O ATOM 0 H ASP A 8 -12.060 0.945 0.598 1.00 0.00 H new ATOM 0 HA ASP A 8 -12.835 -1.648 1.577 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -13.730 0.970 1.635 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -14.821 0.315 0.431 1.00 0.00 H new ATOM 549 N SER A 9 -13.652 -1.045 -1.544 1.00 0.00 N ATOM 550 CA SER A 9 -14.098 -1.724 -2.794 1.00 0.00 C ATOM 551 C SER A 9 -13.042 -2.735 -3.262 1.00 0.00 C ATOM 552 O SER A 9 -13.351 -3.882 -3.531 1.00 0.00 O ATOM 553 CB SER A 9 -14.269 -0.598 -3.822 1.00 0.00 C ATOM 554 OG SER A 9 -15.112 0.419 -3.279 1.00 0.00 O ATOM 0 H SER A 9 -13.439 -0.053 -1.648 1.00 0.00 H new ATOM 0 HA SER A 9 -15.022 -2.284 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.297 -0.179 -4.083 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.703 -0.993 -4.741 1.00 0.00 H new ATOM 0 HG SER A 9 -14.576 1.030 -2.732 1.00 0.00 H new ATOM 560 N VAL A 10 -11.803 -2.320 -3.368 1.00 0.00 N ATOM 561 CA VAL A 10 -10.741 -3.264 -3.829 1.00 0.00 C ATOM 562 C VAL A 10 -10.519 -4.357 -2.786 1.00 0.00 C ATOM 563 O VAL A 10 -10.472 -5.524 -3.107 1.00 0.00 O ATOM 564 CB VAL A 10 -9.463 -2.421 -3.972 1.00 0.00 C ATOM 565 CG1 VAL A 10 -8.284 -3.324 -4.341 1.00 0.00 C ATOM 566 CG2 VAL A 10 -9.637 -1.366 -5.068 1.00 0.00 C ATOM 0 H VAL A 10 -11.484 -1.375 -3.156 1.00 0.00 H new ATOM 0 HA VAL A 10 -11.018 -3.748 -4.766 1.00 0.00 H new ATOM 0 HB VAL A 10 -9.271 -1.926 -3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -7.381 -2.721 -4.441 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -8.138 -4.069 -3.559 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -8.492 -3.826 -5.286 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -8.723 -0.778 -5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -9.844 -1.859 -6.018 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -10.468 -0.709 -4.812 1.00 0.00 H new ATOM 576 N LEU A 11 -10.368 -4.004 -1.544 1.00 0.00 N ATOM 577 CA LEU A 11 -10.118 -5.054 -0.524 1.00 0.00 C ATOM 578 C LEU A 11 -11.313 -6.002 -0.404 1.00 0.00 C ATOM 579 O LEU A 11 -11.134 -7.187 -0.203 1.00 0.00 O ATOM 580 CB LEU A 11 -9.812 -4.315 0.797 1.00 0.00 C ATOM 581 CG LEU A 11 -11.092 -4.087 1.624 1.00 0.00 C ATOM 582 CD1 LEU A 11 -11.416 -5.336 2.448 1.00 0.00 C ATOM 583 CD2 LEU A 11 -10.881 -2.906 2.575 1.00 0.00 C ATOM 0 H LEU A 11 -10.406 -3.047 -1.194 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.276 -5.688 -0.801 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -9.097 -4.894 1.382 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -9.343 -3.356 0.579 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.918 -3.877 0.944 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -12.322 -5.164 3.029 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.569 -6.183 1.780 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.588 -5.551 3.123 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.786 -2.744 3.160 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.049 -3.123 3.245 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.657 -2.009 1.997 1.00 0.00 H new ATOM 595 N GLN A 12 -12.530 -5.526 -0.509 1.00 0.00 N ATOM 596 CA GLN A 12 -13.665 -6.487 -0.373 1.00 0.00 C ATOM 597 C GLN A 12 -13.725 -7.425 -1.587 1.00 0.00 C ATOM 598 O GLN A 12 -13.798 -8.633 -1.441 1.00 0.00 O ATOM 599 CB GLN A 12 -14.930 -5.626 -0.305 1.00 0.00 C ATOM 600 CG GLN A 12 -15.142 -5.129 1.128 1.00 0.00 C ATOM 601 CD GLN A 12 -16.522 -4.476 1.238 1.00 0.00 C ATOM 602 OE1 GLN A 12 -17.338 -4.881 2.044 1.00 0.00 O ATOM 603 NE2 GLN A 12 -16.820 -3.477 0.459 1.00 0.00 N ATOM 0 H GLN A 12 -12.780 -4.551 -0.677 1.00 0.00 H new ATOM 0 HA GLN A 12 -13.554 -7.115 0.511 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.841 -4.778 -0.984 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.794 -6.206 -0.630 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.063 -5.960 1.829 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -14.365 -4.412 1.395 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.137 -3.136 -0.217 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.737 -3.035 0.525 1.00 0.00 H new ATOM 612 N GLN A 13 -13.696 -6.882 -2.777 1.00 0.00 N ATOM 613 CA GLN A 13 -13.755 -7.743 -4.004 1.00 0.00 C ATOM 614 C GLN A 13 -12.415 -8.407 -4.349 1.00 0.00 C ATOM 615 O GLN A 13 -12.351 -9.592 -4.618 1.00 0.00 O ATOM 616 CB GLN A 13 -14.133 -6.794 -5.141 1.00 0.00 C ATOM 617 CG GLN A 13 -15.390 -7.302 -5.852 1.00 0.00 C ATOM 618 CD GLN A 13 -15.665 -6.425 -7.076 1.00 0.00 C ATOM 619 OE1 GLN A 13 -15.649 -6.899 -8.194 1.00 0.00 O ATOM 620 NE2 GLN A 13 -15.914 -5.155 -6.914 1.00 0.00 N ATOM 0 H GLN A 13 -13.634 -5.880 -2.955 1.00 0.00 H new ATOM 0 HA GLN A 13 -14.464 -8.555 -3.843 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -14.308 -5.793 -4.747 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -13.309 -6.718 -5.851 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.256 -8.340 -6.156 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -16.242 -7.277 -5.173 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -15.928 -4.754 -5.976 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -16.095 -4.563 -7.725 1.00 0.00 H new ATOM 629 N LEU A 14 -11.355 -7.636 -4.412 1.00 0.00 N ATOM 630 CA LEU A 14 -10.041 -8.210 -4.834 1.00 0.00 C ATOM 631 C LEU A 14 -9.461 -9.169 -3.809 1.00 0.00 C ATOM 632 O LEU A 14 -9.044 -10.257 -4.146 1.00 0.00 O ATOM 633 CB LEU A 14 -9.097 -7.011 -5.006 1.00 0.00 C ATOM 634 CG LEU A 14 -9.542 -6.111 -6.178 1.00 0.00 C ATOM 635 CD1 LEU A 14 -8.312 -5.451 -6.798 1.00 0.00 C ATOM 636 CD2 LEU A 14 -10.263 -6.931 -7.259 1.00 0.00 C ATOM 0 H LEU A 14 -11.344 -6.640 -4.191 1.00 0.00 H new ATOM 0 HA LEU A 14 -10.168 -8.788 -5.750 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -9.074 -6.428 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.082 -7.367 -5.183 1.00 0.00 H new ATOM 0 HG LEU A 14 -10.229 -5.358 -5.793 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.620 -4.814 -7.627 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -7.805 -4.848 -6.045 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.632 -6.220 -7.165 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.566 -6.273 -8.073 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -9.590 -7.698 -7.643 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.145 -7.405 -6.828 1.00 0.00 H new ATOM 648 N GLN A 15 -9.419 -8.811 -2.565 1.00 0.00 N ATOM 649 CA GLN A 15 -8.828 -9.760 -1.580 1.00 0.00 C ATOM 650 C GLN A 15 -9.601 -11.057 -1.564 1.00 0.00 C ATOM 651 O GLN A 15 -9.089 -12.089 -1.168 1.00 0.00 O ATOM 652 CB GLN A 15 -8.857 -9.075 -0.216 1.00 0.00 C ATOM 653 CG GLN A 15 -7.978 -7.820 -0.245 1.00 0.00 C ATOM 654 CD GLN A 15 -7.719 -7.330 1.182 1.00 0.00 C ATOM 655 OE1 GLN A 15 -6.627 -6.892 1.495 1.00 0.00 O ATOM 656 NE2 GLN A 15 -8.674 -7.385 2.068 1.00 0.00 N ATOM 0 H GLN A 15 -9.758 -7.926 -2.188 1.00 0.00 H new ATOM 0 HA GLN A 15 -7.802 -10.011 -1.849 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -9.881 -8.807 0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -8.502 -9.761 0.553 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -7.032 -8.040 -0.740 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -8.467 -7.037 -0.824 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -9.590 -7.751 1.809 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -8.505 -7.062 3.021 1.00 0.00 H new ATOM 665 N THR A 16 -10.817 -11.030 -1.995 1.00 0.00 N ATOM 666 CA THR A 16 -11.583 -12.268 -2.007 1.00 0.00 C ATOM 667 C THR A 16 -11.357 -13.026 -3.320 1.00 0.00 C ATOM 668 O THR A 16 -11.095 -14.218 -3.297 1.00 0.00 O ATOM 669 CB THR A 16 -13.039 -11.814 -1.862 1.00 0.00 C ATOM 670 OG1 THR A 16 -13.366 -11.703 -0.482 1.00 0.00 O ATOM 671 CG2 THR A 16 -13.959 -12.821 -2.538 1.00 0.00 C ATOM 0 H THR A 16 -11.305 -10.202 -2.337 1.00 0.00 H new ATOM 0 HA THR A 16 -11.291 -12.955 -1.213 1.00 0.00 H new ATOM 0 HB THR A 16 -13.167 -10.842 -2.339 1.00 0.00 H new ATOM 0 HG1 THR A 16 -14.297 -11.411 -0.389 1.00 0.00 H new ATOM 0 HG21 THR A 16 -14.994 -12.496 -2.433 1.00 0.00 H new ATOM 0 HG22 THR A 16 -13.706 -12.892 -3.596 1.00 0.00 H new ATOM 0 HG23 THR A 16 -13.837 -13.797 -2.069 1.00 0.00 H new ATOM 679 N GLU A 17 -11.473 -12.379 -4.458 1.00 0.00 N ATOM 680 CA GLU A 17 -11.279 -13.157 -5.736 1.00 0.00 C ATOM 681 C GLU A 17 -9.917 -12.922 -6.399 1.00 0.00 C ATOM 682 O GLU A 17 -9.675 -13.396 -7.497 1.00 0.00 O ATOM 683 CB GLU A 17 -12.398 -12.666 -6.676 1.00 0.00 C ATOM 684 CG GLU A 17 -13.702 -12.449 -5.898 1.00 0.00 C ATOM 685 CD GLU A 17 -14.794 -11.998 -6.861 1.00 0.00 C ATOM 686 OE1 GLU A 17 -15.475 -12.855 -7.395 1.00 0.00 O ATOM 687 OE2 GLU A 17 -14.933 -10.805 -7.052 1.00 0.00 O ATOM 0 H GLU A 17 -11.685 -11.387 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 17 -11.316 -14.226 -5.525 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.095 -11.735 -7.155 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -12.559 -13.395 -7.470 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -13.999 -13.372 -5.399 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -13.555 -11.700 -5.120 1.00 0.00 H new ATOM 789 N THR A 24 -0.130 -11.205 -7.889 1.00 0.00 N ATOM 790 CA THR A 24 0.477 -10.414 -6.775 1.00 0.00 C ATOM 791 C THR A 24 -0.261 -9.058 -6.713 1.00 0.00 C ATOM 792 O THR A 24 0.355 -8.014 -6.822 1.00 0.00 O ATOM 793 CB THR A 24 1.947 -10.189 -7.145 1.00 0.00 C ATOM 794 OG1 THR A 24 2.612 -11.423 -7.409 1.00 0.00 O ATOM 795 CG2 THR A 24 2.614 -9.490 -5.981 1.00 0.00 C ATOM 0 HA THR A 24 0.400 -10.918 -5.812 1.00 0.00 H new ATOM 0 HB THR A 24 2.004 -9.586 -8.051 1.00 0.00 H new ATOM 0 HG1 THR A 24 1.984 -12.051 -7.822 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.664 -9.316 -6.215 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.120 -8.536 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 24 2.539 -10.114 -5.091 1.00 0.00 H new ATOM 803 N LEU A 25 -1.555 -9.050 -6.698 1.00 0.00 N ATOM 804 CA LEU A 25 -2.279 -7.743 -6.821 1.00 0.00 C ATOM 805 C LEU A 25 -2.096 -6.876 -5.584 1.00 0.00 C ATOM 806 O LEU A 25 -2.158 -7.310 -4.453 1.00 0.00 O ATOM 807 CB LEU A 25 -3.751 -8.101 -7.029 1.00 0.00 C ATOM 808 CG LEU A 25 -4.087 -7.974 -8.518 1.00 0.00 C ATOM 809 CD1 LEU A 25 -4.104 -9.362 -9.165 1.00 0.00 C ATOM 810 CD2 LEU A 25 -5.456 -7.308 -8.683 1.00 0.00 C ATOM 0 H LEU A 25 -2.148 -9.875 -6.608 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.886 -7.156 -7.651 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.944 -9.117 -6.684 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -4.387 -7.439 -6.441 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.329 -7.361 -9.006 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.343 -9.267 -10.224 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.124 -9.827 -9.055 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.856 -9.982 -8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -5.692 -7.219 -9.743 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.217 -7.914 -8.191 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -5.435 -6.316 -8.232 1.00 0.00 H new ATOM 822 N TYR A 26 -1.765 -5.649 -5.855 1.00 0.00 N ATOM 823 CA TYR A 26 -1.438 -4.654 -4.796 1.00 0.00 C ATOM 824 C TYR A 26 -2.661 -3.971 -4.161 1.00 0.00 C ATOM 825 O TYR A 26 -3.592 -3.565 -4.831 1.00 0.00 O ATOM 826 CB TYR A 26 -0.521 -3.637 -5.526 1.00 0.00 C ATOM 827 CG TYR A 26 -0.998 -2.210 -5.349 1.00 0.00 C ATOM 828 CD1 TYR A 26 -0.934 -1.606 -4.093 1.00 0.00 C ATOM 829 CD2 TYR A 26 -1.480 -1.487 -6.448 1.00 0.00 C ATOM 830 CE1 TYR A 26 -1.352 -0.283 -3.926 1.00 0.00 C ATOM 831 CE2 TYR A 26 -1.901 -0.163 -6.283 1.00 0.00 C ATOM 832 CZ TYR A 26 -1.838 0.441 -5.025 1.00 0.00 C ATOM 833 OH TYR A 26 -2.254 1.751 -4.874 1.00 0.00 O ATOM 0 H TYR A 26 -1.705 -5.279 -6.804 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.966 -5.135 -3.939 1.00 0.00 H new ATOM 0 HB2 TYR A 26 0.496 -3.729 -5.145 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.487 -3.878 -6.588 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.560 -2.163 -3.247 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -1.527 -1.951 -7.422 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -1.301 0.181 -2.952 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -2.275 0.393 -7.130 1.00 0.00 H new ATOM 0 HH TYR A 26 -1.733 2.180 -4.163 1.00 0.00 H new ATOM 843 N VAL A 27 -2.615 -3.812 -2.858 1.00 0.00 N ATOM 844 CA VAL A 27 -3.710 -3.114 -2.122 1.00 0.00 C ATOM 845 C VAL A 27 -3.180 -1.734 -1.674 1.00 0.00 C ATOM 846 O VAL A 27 -2.075 -1.627 -1.141 1.00 0.00 O ATOM 847 CB VAL A 27 -4.036 -4.027 -0.924 1.00 0.00 C ATOM 848 CG1 VAL A 27 -4.424 -3.200 0.309 1.00 0.00 C ATOM 849 CG2 VAL A 27 -5.201 -4.947 -1.303 1.00 0.00 C ATOM 0 H VAL A 27 -1.852 -4.143 -2.268 1.00 0.00 H new ATOM 0 HA VAL A 27 -4.607 -2.941 -2.717 1.00 0.00 H new ATOM 0 HB VAL A 27 -3.150 -4.613 -0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -4.649 -3.869 1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -3.596 -2.546 0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -5.303 -2.597 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.440 -5.597 -0.462 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.074 -4.344 -1.555 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.920 -5.555 -2.163 1.00 0.00 H new ATOM 859 N PRO A 28 -3.966 -0.719 -1.932 1.00 0.00 N ATOM 860 CA PRO A 28 -3.575 0.672 -1.577 1.00 0.00 C ATOM 861 C PRO A 28 -3.778 0.992 -0.085 1.00 0.00 C ATOM 862 O PRO A 28 -4.675 0.486 0.560 1.00 0.00 O ATOM 863 CB PRO A 28 -4.510 1.527 -2.421 1.00 0.00 C ATOM 864 CG PRO A 28 -5.708 0.673 -2.699 1.00 0.00 C ATOM 865 CD PRO A 28 -5.281 -0.768 -2.595 1.00 0.00 C ATOM 0 HA PRO A 28 -2.515 0.846 -1.762 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -4.793 2.436 -1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.027 1.836 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.504 0.888 -1.986 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -6.105 0.883 -3.692 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -5.996 -1.352 -2.015 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.212 -1.233 -3.578 1.00 0.00 H new ATOM 873 N ASN A 29 -2.958 1.867 0.448 1.00 0.00 N ATOM 874 CA ASN A 29 -3.099 2.291 1.883 1.00 0.00 C ATOM 875 C ASN A 29 -3.542 3.742 1.900 1.00 0.00 C ATOM 876 O ASN A 29 -3.061 4.534 1.111 1.00 0.00 O ATOM 877 CB ASN A 29 -1.710 2.218 2.508 1.00 0.00 C ATOM 878 CG ASN A 29 -1.830 2.158 4.036 1.00 0.00 C ATOM 879 OD1 ASN A 29 -1.562 1.139 4.635 1.00 0.00 O ATOM 880 ND2 ASN A 29 -2.195 3.216 4.702 1.00 0.00 N ATOM 0 H ASN A 29 -2.189 2.311 -0.053 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.813 1.664 2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -1.182 1.338 2.141 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -1.123 3.088 2.214 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.254 3.183 5.720 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -2.422 4.078 4.206 1.00 0.00 H new ATOM 887 N CYS A 30 -4.430 4.123 2.765 1.00 0.00 N ATOM 888 CA CYS A 30 -4.851 5.549 2.759 1.00 0.00 C ATOM 889 C CYS A 30 -4.626 6.190 4.128 1.00 0.00 C ATOM 890 O CYS A 30 -4.858 5.583 5.156 1.00 0.00 O ATOM 891 CB CYS A 30 -6.354 5.535 2.442 1.00 0.00 C ATOM 892 SG CYS A 30 -6.799 4.063 1.471 1.00 0.00 S ATOM 0 H CYS A 30 -4.876 3.527 3.462 1.00 0.00 H new ATOM 0 HA CYS A 30 -4.277 6.124 2.032 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -6.926 5.550 3.370 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -6.621 6.435 1.889 1.00 0.00 H new ATOM 897 N ASP A 31 -4.209 7.426 4.146 1.00 0.00 N ATOM 898 CA ASP A 31 -4.011 8.133 5.446 1.00 0.00 C ATOM 899 C ASP A 31 -5.377 8.596 5.952 1.00 0.00 C ATOM 900 O ASP A 31 -6.366 8.453 5.258 1.00 0.00 O ATOM 901 CB ASP A 31 -3.119 9.335 5.133 1.00 0.00 C ATOM 902 CG ASP A 31 -2.573 9.917 6.431 1.00 0.00 C ATOM 903 OD1 ASP A 31 -1.598 9.387 6.927 1.00 0.00 O ATOM 904 OD2 ASP A 31 -3.133 10.887 6.905 1.00 0.00 O ATOM 0 H ASP A 31 -3.996 7.979 3.316 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.557 7.502 6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.297 9.032 4.484 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -3.688 10.092 4.594 1.00 0.00 H new ATOM 909 N HIS A 32 -5.449 9.147 7.134 1.00 0.00 N ATOM 910 CA HIS A 32 -6.771 9.619 7.664 1.00 0.00 C ATOM 911 C HIS A 32 -7.488 10.495 6.622 1.00 0.00 C ATOM 912 O HIS A 32 -8.697 10.633 6.640 1.00 0.00 O ATOM 913 CB HIS A 32 -6.454 10.429 8.924 1.00 0.00 C ATOM 914 CG HIS A 32 -7.207 9.835 10.081 1.00 0.00 C ATOM 915 ND1 HIS A 32 -8.534 10.144 10.336 1.00 0.00 N ATOM 916 CD2 HIS A 32 -6.844 8.924 11.042 1.00 0.00 C ATOM 917 CE1 HIS A 32 -8.915 9.431 11.411 1.00 0.00 C ATOM 918 NE2 HIS A 32 -7.924 8.671 11.879 1.00 0.00 N ATOM 0 H HIS A 32 -4.655 9.292 7.757 1.00 0.00 H new ATOM 0 HA HIS A 32 -7.434 8.783 7.885 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -5.382 10.414 9.123 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -6.738 11.472 8.784 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -5.867 8.473 11.134 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -9.904 9.469 11.843 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -7.953 8.040 12.680 1.00 0.00 H new ATOM 926 N ARG A 33 -6.752 11.065 5.699 1.00 0.00 N ATOM 927 CA ARG A 33 -7.391 11.909 4.631 1.00 0.00 C ATOM 928 C ARG A 33 -7.942 11.007 3.513 1.00 0.00 C ATOM 929 O ARG A 33 -8.414 11.482 2.498 1.00 0.00 O ATOM 930 CB ARG A 33 -6.312 12.859 4.066 1.00 0.00 C ATOM 931 CG ARG A 33 -5.123 13.004 5.023 1.00 0.00 C ATOM 932 CD ARG A 33 -5.595 13.521 6.391 1.00 0.00 C ATOM 933 NE ARG A 33 -5.503 15.008 6.305 1.00 0.00 N ATOM 934 CZ ARG A 33 -5.108 15.694 7.345 1.00 0.00 C ATOM 935 NH1 ARG A 33 -5.973 16.101 8.242 1.00 0.00 N ATOM 936 NH2 ARG A 33 -3.840 15.953 7.491 1.00 0.00 N ATOM 0 H ARG A 33 -5.737 10.985 5.636 1.00 0.00 H new ATOM 0 HA ARG A 33 -8.219 12.485 5.044 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -5.962 12.481 3.106 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.751 13.839 3.881 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.625 12.042 5.143 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.390 13.691 4.601 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -6.616 13.202 6.601 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.969 13.134 7.195 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.747 15.487 5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.963 15.883 8.131 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -5.656 16.636 9.051 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -3.169 15.621 6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -3.518 16.487 8.298 1.00 0.00 H new ATOM 950 N GLY A 34 -7.898 9.712 3.704 1.00 0.00 N ATOM 951 CA GLY A 34 -8.429 8.763 2.682 1.00 0.00 C ATOM 952 C GLY A 34 -7.600 8.748 1.388 1.00 0.00 C ATOM 953 O GLY A 34 -7.954 8.051 0.461 1.00 0.00 O ATOM 0 H GLY A 34 -7.511 9.268 4.537 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.451 7.758 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.458 9.032 2.444 1.00 0.00 H new ATOM 957 N PHE A 35 -6.519 9.479 1.298 1.00 0.00 N ATOM 958 CA PHE A 35 -5.698 9.440 0.041 1.00 0.00 C ATOM 959 C PHE A 35 -4.680 8.295 0.131 1.00 0.00 C ATOM 960 O PHE A 35 -4.357 7.849 1.214 1.00 0.00 O ATOM 961 CB PHE A 35 -4.978 10.792 -0.021 1.00 0.00 C ATOM 962 CG PHE A 35 -5.824 11.779 -0.785 1.00 0.00 C ATOM 963 CD1 PHE A 35 -6.905 12.408 -0.157 1.00 0.00 C ATOM 964 CD2 PHE A 35 -5.530 12.062 -2.123 1.00 0.00 C ATOM 965 CE1 PHE A 35 -7.694 13.320 -0.867 1.00 0.00 C ATOM 966 CE2 PHE A 35 -6.318 12.974 -2.834 1.00 0.00 C ATOM 967 CZ PHE A 35 -7.399 13.604 -2.206 1.00 0.00 C ATOM 0 H PHE A 35 -6.168 10.097 2.030 1.00 0.00 H new ATOM 0 HA PHE A 35 -6.307 9.272 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.790 11.162 0.987 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -4.008 10.677 -0.505 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -7.130 12.189 0.876 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -4.695 11.577 -2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -8.529 13.804 -0.383 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.092 13.192 -3.867 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.006 14.309 -2.755 1.00 0.00 H new ATOM 977 N TYR A 36 -4.145 7.847 -0.985 1.00 0.00 N ATOM 978 CA TYR A 36 -3.107 6.748 -0.960 1.00 0.00 C ATOM 979 C TYR A 36 -1.843 7.381 -0.410 1.00 0.00 C ATOM 980 O TYR A 36 -0.974 7.751 -1.163 1.00 0.00 O ATOM 981 CB TYR A 36 -2.875 6.351 -2.434 1.00 0.00 C ATOM 982 CG TYR A 36 -4.171 5.978 -3.115 1.00 0.00 C ATOM 983 CD1 TYR A 36 -4.648 4.670 -3.027 1.00 0.00 C ATOM 984 CD2 TYR A 36 -4.894 6.937 -3.836 1.00 0.00 C ATOM 985 CE1 TYR A 36 -5.845 4.314 -3.657 1.00 0.00 C ATOM 986 CE2 TYR A 36 -6.092 6.582 -4.466 1.00 0.00 C ATOM 987 CZ TYR A 36 -6.569 5.270 -4.374 1.00 0.00 C ATOM 988 OH TYR A 36 -7.752 4.922 -4.986 1.00 0.00 O ATOM 0 H TYR A 36 -4.380 8.193 -1.915 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.397 5.882 -0.366 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -2.408 7.180 -2.966 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -2.182 5.511 -2.481 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.091 3.930 -2.471 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.527 7.950 -3.906 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -6.210 3.300 -3.589 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.648 7.321 -5.023 1.00 0.00 H new ATOM 0 HH TYR A 36 -8.128 5.705 -5.441 1.00 0.00 H new ATOM 998 N ARG A 37 -1.780 7.638 0.868 1.00 0.00 N ATOM 999 CA ARG A 37 -0.603 8.405 1.351 1.00 0.00 C ATOM 1000 C ARG A 37 0.698 7.646 1.589 1.00 0.00 C ATOM 1001 O ARG A 37 1.713 7.969 1.014 1.00 0.00 O ATOM 1002 CB ARG A 37 -1.068 9.066 2.650 1.00 0.00 C ATOM 1003 CG ARG A 37 -0.124 10.225 2.979 1.00 0.00 C ATOM 1004 CD ARG A 37 -0.911 11.540 3.068 1.00 0.00 C ATOM 1005 NE ARG A 37 -1.031 11.840 4.526 1.00 0.00 N ATOM 1006 CZ ARG A 37 0.039 12.096 5.234 1.00 0.00 C ATOM 1007 NH1 ARG A 37 0.759 13.155 4.971 1.00 0.00 N ATOM 1008 NH2 ARG A 37 0.389 11.293 6.200 1.00 0.00 N ATOM 0 H ARG A 37 -2.464 7.362 1.573 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.317 9.089 0.552 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.090 9.430 2.543 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -1.072 8.340 3.463 1.00 0.00 H new ATOM 0 HG2 ARG A 37 0.385 10.032 3.924 1.00 0.00 H new ATOM 0 HG3 ARG A 37 0.647 10.305 2.212 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.392 12.343 2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.893 11.441 2.606 1.00 0.00 H new ATOM 0 HE ARG A 37 -1.949 11.845 4.971 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.487 13.782 4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.593 13.355 5.523 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.171 10.465 6.404 1.00 0.00 H new ATOM 0 HH22 ARG A 37 1.223 11.492 6.752 1.00 0.00 H new ATOM 1022 N LYS A 38 0.717 6.729 2.494 1.00 0.00 N ATOM 1023 CA LYS A 38 2.018 6.068 2.809 1.00 0.00 C ATOM 1024 C LYS A 38 2.318 4.718 2.152 1.00 0.00 C ATOM 1025 O LYS A 38 3.436 4.483 1.731 1.00 0.00 O ATOM 1026 CB LYS A 38 2.013 5.917 4.323 1.00 0.00 C ATOM 1027 CG LYS A 38 3.421 6.204 4.838 1.00 0.00 C ATOM 1028 CD LYS A 38 3.342 7.077 6.089 1.00 0.00 C ATOM 1029 CE LYS A 38 2.925 6.237 7.306 1.00 0.00 C ATOM 1030 NZ LYS A 38 4.048 5.279 7.544 1.00 0.00 N ATOM 0 H LYS A 38 -0.089 6.404 3.028 1.00 0.00 H new ATOM 0 HA LYS A 38 2.808 6.695 2.396 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.297 6.606 4.771 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.704 4.910 4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.933 5.269 5.067 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.005 6.707 4.068 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.309 7.543 6.276 1.00 0.00 H new ATOM 0 HD3 LYS A 38 2.625 7.883 5.933 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.758 6.869 8.179 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.992 5.706 7.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.124 5.080 8.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.864 4.394 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.938 5.697 7.205 1.00 0.00 H new ATOM 1044 N ARG A 39 1.399 3.787 2.163 1.00 0.00 N ATOM 1045 CA ARG A 39 1.755 2.426 1.648 1.00 0.00 C ATOM 1046 C ARG A 39 1.005 1.963 0.407 1.00 0.00 C ATOM 1047 O ARG A 39 -0.203 1.995 0.336 1.00 0.00 O ATOM 1048 CB ARG A 39 1.451 1.490 2.827 1.00 0.00 C ATOM 1049 CG ARG A 39 1.433 0.022 2.374 1.00 0.00 C ATOM 1050 CD ARG A 39 0.546 -0.792 3.327 1.00 0.00 C ATOM 1051 NE ARG A 39 -0.456 -1.477 2.458 1.00 0.00 N ATOM 1052 CZ ARG A 39 -1.736 -1.282 2.655 1.00 0.00 C ATOM 1053 NH1 ARG A 39 -2.227 -1.348 3.867 1.00 0.00 N ATOM 1054 NH2 ARG A 39 -2.519 -1.011 1.643 1.00 0.00 N ATOM 0 H ARG A 39 0.442 3.902 2.496 1.00 0.00 H new ATOM 0 HA ARG A 39 2.793 2.432 1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.202 1.625 3.606 1.00 0.00 H new ATOM 0 HB3 ARG A 39 0.487 1.751 3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 39 1.054 -0.051 1.355 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.446 -0.381 2.368 1.00 0.00 H new ATOM 0 HD2 ARG A 39 1.136 -1.515 3.890 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.056 -0.145 4.055 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.144 -2.097 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.613 -1.551 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.224 -1.196 4.022 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.133 -0.952 0.701 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.516 -0.859 1.796 1.00 0.00 H new ATOM 1068 N GLN A 40 1.735 1.402 -0.509 1.00 0.00 N ATOM 1069 CA GLN A 40 1.120 0.766 -1.705 1.00 0.00 C ATOM 1070 C GLN A 40 1.891 -0.542 -1.872 1.00 0.00 C ATOM 1071 O GLN A 40 3.103 -0.520 -1.957 1.00 0.00 O ATOM 1072 CB GLN A 40 1.359 1.713 -2.883 1.00 0.00 C ATOM 1073 CG GLN A 40 0.956 3.146 -2.512 1.00 0.00 C ATOM 1074 CD GLN A 40 -0.534 3.216 -2.142 1.00 0.00 C ATOM 1075 OE1 GLN A 40 -1.340 2.467 -2.658 1.00 0.00 O ATOM 1076 NE2 GLN A 40 -0.938 4.091 -1.262 1.00 0.00 N ATOM 0 H GLN A 40 2.754 1.356 -0.480 1.00 0.00 H new ATOM 0 HA GLN A 40 0.049 0.577 -1.630 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.410 1.688 -3.170 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.784 1.380 -3.747 1.00 0.00 H new ATOM 0 HG2 GLN A 40 1.560 3.493 -1.674 1.00 0.00 H new ATOM 0 HG3 GLN A 40 1.159 3.814 -3.349 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -0.267 4.722 -0.825 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -1.925 4.143 -1.011 1.00 0.00 H new ATOM 1085 N CYS A 41 1.247 -1.679 -1.849 1.00 0.00 N ATOM 1086 CA CYS A 41 2.050 -2.942 -1.947 1.00 0.00 C ATOM 1087 C CYS A 41 1.390 -3.989 -2.818 1.00 0.00 C ATOM 1088 O CYS A 41 0.201 -4.192 -2.742 1.00 0.00 O ATOM 1089 CB CYS A 41 2.118 -3.485 -0.524 1.00 0.00 C ATOM 1090 SG CYS A 41 2.775 -2.240 0.601 1.00 0.00 S ATOM 0 H CYS A 41 0.236 -1.793 -1.770 1.00 0.00 H new ATOM 0 HA CYS A 41 3.022 -2.726 -2.391 1.00 0.00 H new ATOM 0 HB2 CYS A 41 1.124 -3.789 -0.197 1.00 0.00 H new ATOM 0 HB3 CYS A 41 2.748 -4.374 -0.498 1.00 0.00 H new ATOM 1095 N ARG A 42 2.177 -4.704 -3.585 1.00 0.00 N ATOM 1096 CA ARG A 42 1.631 -5.812 -4.416 1.00 0.00 C ATOM 1097 C ARG A 42 1.468 -7.022 -3.498 1.00 0.00 C ATOM 1098 O ARG A 42 2.364 -7.339 -2.733 1.00 0.00 O ATOM 1099 CB ARG A 42 2.682 -6.065 -5.502 1.00 0.00 C ATOM 1100 CG ARG A 42 2.495 -5.069 -6.650 1.00 0.00 C ATOM 1101 CD ARG A 42 1.406 -5.580 -7.596 1.00 0.00 C ATOM 1102 NE ARG A 42 1.464 -4.698 -8.795 1.00 0.00 N ATOM 1103 CZ ARG A 42 0.995 -5.136 -9.930 1.00 0.00 C ATOM 1104 NH1 ARG A 42 1.577 -6.142 -10.520 1.00 0.00 N ATOM 1105 NH2 ARG A 42 -0.055 -4.571 -10.469 1.00 0.00 N ATOM 0 H ARG A 42 3.184 -4.562 -3.669 1.00 0.00 H new ATOM 0 HA ARG A 42 0.667 -5.595 -4.875 1.00 0.00 H new ATOM 0 HB2 ARG A 42 3.683 -5.965 -5.082 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.593 -7.085 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 42 2.220 -4.091 -6.256 1.00 0.00 H new ATOM 0 HG3 ARG A 42 3.432 -4.942 -7.192 1.00 0.00 H new ATOM 0 HD2 ARG A 42 1.581 -6.621 -7.867 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.425 -5.534 -7.124 1.00 0.00 H new ATOM 0 HE ARG A 42 1.866 -3.763 -8.729 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.393 -6.581 -10.094 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.216 -6.491 -11.408 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.508 -3.786 -10.001 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.420 -4.915 -11.357 1.00 0.00 H new ATOM 1119 N SER A 43 0.329 -7.658 -3.514 1.00 0.00 N ATOM 1120 CA SER A 43 0.106 -8.801 -2.584 1.00 0.00 C ATOM 1121 C SER A 43 -0.119 -10.132 -3.319 1.00 0.00 C ATOM 1122 O SER A 43 -0.837 -10.220 -4.317 1.00 0.00 O ATOM 1123 CB SER A 43 -1.149 -8.418 -1.792 1.00 0.00 C ATOM 1124 OG SER A 43 -1.020 -7.087 -1.297 1.00 0.00 O ATOM 0 H SER A 43 -0.454 -7.437 -4.128 1.00 0.00 H new ATOM 0 HA SER A 43 0.982 -8.963 -1.955 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.030 -8.495 -2.429 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.293 -9.112 -0.964 1.00 0.00 H new ATOM 0 HG SER A 43 -1.825 -6.846 -0.793 1.00 0.00 H new ATOM 1251 N CYS A 52 6.264 -4.362 -0.552 1.00 0.00 N ATOM 1252 CA CYS A 52 5.640 -3.068 -0.147 1.00 0.00 C ATOM 1253 C CYS A 52 6.539 -1.918 -0.587 1.00 0.00 C ATOM 1254 O CYS A 52 7.749 -2.061 -0.637 1.00 0.00 O ATOM 1255 CB CYS A 52 5.563 -3.103 1.383 1.00 0.00 C ATOM 1256 SG CYS A 52 3.848 -3.326 1.921 1.00 0.00 S ATOM 0 HA CYS A 52 4.657 -2.929 -0.597 1.00 0.00 H new ATOM 0 HB2 CYS A 52 6.180 -3.915 1.766 1.00 0.00 H new ATOM 0 HB3 CYS A 52 5.963 -2.177 1.795 1.00 0.00 H new ATOM 1261 N TRP A 53 5.986 -0.772 -0.864 1.00 0.00 N ATOM 1262 CA TRP A 53 6.855 0.380 -1.251 1.00 0.00 C ATOM 1263 C TRP A 53 6.279 1.711 -0.747 1.00 0.00 C ATOM 1264 O TRP A 53 5.089 1.840 -0.458 1.00 0.00 O ATOM 1265 CB TRP A 53 7.037 0.317 -2.782 1.00 0.00 C ATOM 1266 CG TRP A 53 5.826 0.764 -3.539 1.00 0.00 C ATOM 1267 CD1 TRP A 53 5.466 2.050 -3.747 1.00 0.00 C ATOM 1268 CD2 TRP A 53 4.843 -0.054 -4.239 1.00 0.00 C ATOM 1269 NE1 TRP A 53 4.320 2.073 -4.521 1.00 0.00 N ATOM 1270 CE2 TRP A 53 3.894 0.802 -4.843 1.00 0.00 C ATOM 1271 CE3 TRP A 53 4.678 -1.443 -4.394 1.00 0.00 C ATOM 1272 CZ2 TRP A 53 2.825 0.299 -5.588 1.00 0.00 C ATOM 1273 CZ3 TRP A 53 3.604 -1.954 -5.140 1.00 0.00 C ATOM 1274 CH2 TRP A 53 2.675 -1.083 -5.732 1.00 0.00 C ATOM 0 H TRP A 53 4.984 -0.581 -0.841 1.00 0.00 H new ATOM 0 HA TRP A 53 7.835 0.316 -0.778 1.00 0.00 H new ATOM 0 HB2 TRP A 53 7.885 0.939 -3.066 1.00 0.00 H new ATOM 0 HB3 TRP A 53 7.281 -0.705 -3.071 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.988 2.917 -3.371 1.00 0.00 H new ATOM 0 HE1 TRP A 53 3.847 2.927 -4.818 1.00 0.00 H new ATOM 0 HE3 TRP A 53 5.383 -2.121 -3.936 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 2.119 0.973 -6.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 3.492 -3.022 -5.259 1.00 0.00 H new ATOM 0 HH2 TRP A 53 1.846 -1.481 -6.298 1.00 0.00 H new ATOM 1285 N CYS A 54 7.153 2.675 -0.591 1.00 0.00 N ATOM 1286 CA CYS A 54 6.779 4.023 -0.053 1.00 0.00 C ATOM 1287 C CYS A 54 6.148 4.887 -1.147 1.00 0.00 C ATOM 1288 O CYS A 54 6.586 4.865 -2.283 1.00 0.00 O ATOM 1289 CB CYS A 54 8.125 4.610 0.404 1.00 0.00 C ATOM 1290 SG CYS A 54 7.875 6.203 1.220 1.00 0.00 S ATOM 0 H CYS A 54 8.142 2.581 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 54 6.043 3.975 0.750 1.00 0.00 H new ATOM 0 HB2 CYS A 54 8.617 3.918 1.087 1.00 0.00 H new ATOM 0 HB3 CYS A 54 8.785 4.734 -0.455 1.00 0.00 H new ATOM 0 HG CYS A 54 9.023 6.681 1.600 1.00 0.00 H new ATOM 1295 N VAL A 55 5.123 5.648 -0.830 1.00 0.00 N ATOM 1296 CA VAL A 55 4.480 6.488 -1.896 1.00 0.00 C ATOM 1297 C VAL A 55 4.035 7.855 -1.372 1.00 0.00 C ATOM 1298 O VAL A 55 3.992 8.092 -0.181 1.00 0.00 O ATOM 1299 CB VAL A 55 3.255 5.694 -2.359 1.00 0.00 C ATOM 1300 CG1 VAL A 55 3.665 4.265 -2.713 1.00 0.00 C ATOM 1301 CG2 VAL A 55 2.205 5.667 -1.244 1.00 0.00 C ATOM 0 H VAL A 55 4.711 5.724 0.100 1.00 0.00 H new ATOM 0 HA VAL A 55 5.190 6.686 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 55 2.832 6.174 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 55 2.789 3.706 -3.041 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.403 4.286 -3.515 1.00 0.00 H new ATOM 0 HG13 VAL A 55 4.096 3.782 -1.836 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.335 5.101 -1.577 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.628 5.194 -0.358 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.904 6.687 -1.003 1.00 0.00 H new ATOM 1311 N ASP A 56 3.688 8.740 -2.273 1.00 0.00 N ATOM 1312 CA ASP A 56 3.207 10.087 -1.880 1.00 0.00 C ATOM 1313 C ASP A 56 1.685 10.035 -1.729 1.00 0.00 C ATOM 1314 O ASP A 56 1.077 9.005 -1.918 1.00 0.00 O ATOM 1315 CB ASP A 56 3.623 11.034 -3.021 1.00 0.00 C ATOM 1316 CG ASP A 56 2.598 10.992 -4.158 1.00 0.00 C ATOM 1317 OD1 ASP A 56 2.447 9.947 -4.765 1.00 0.00 O ATOM 1318 OD2 ASP A 56 1.977 12.010 -4.404 1.00 0.00 O ATOM 0 H ASP A 56 3.721 8.577 -3.279 1.00 0.00 H new ATOM 0 HA ASP A 56 3.625 10.429 -0.933 1.00 0.00 H new ATOM 0 HB2 ASP A 56 3.712 12.052 -2.642 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.605 10.748 -3.399 1.00 0.00 H new ATOM 1323 N ARG A 57 1.085 11.138 -1.392 1.00 0.00 N ATOM 1324 CA ARG A 57 -0.414 11.197 -1.208 1.00 0.00 C ATOM 1325 C ARG A 57 -1.181 10.581 -2.398 1.00 0.00 C ATOM 1326 O ARG A 57 -2.323 10.179 -2.257 1.00 0.00 O ATOM 1327 CB ARG A 57 -0.738 12.693 -1.068 1.00 0.00 C ATOM 1328 CG ARG A 57 -0.264 13.461 -2.308 1.00 0.00 C ATOM 1329 CD ARG A 57 0.329 14.814 -1.888 1.00 0.00 C ATOM 1330 NE ARG A 57 1.796 14.698 -2.139 1.00 0.00 N ATOM 1331 CZ ARG A 57 2.319 15.263 -3.195 1.00 0.00 C ATOM 1332 NH1 ARG A 57 2.618 16.536 -3.172 1.00 0.00 N ATOM 1333 NH2 ARG A 57 2.538 14.550 -4.268 1.00 0.00 N ATOM 0 H ARG A 57 1.566 12.023 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 57 -0.722 10.616 -0.339 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -1.812 12.828 -0.937 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -0.255 13.094 -0.177 1.00 0.00 H new ATOM 0 HG2 ARG A 57 0.484 12.877 -2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -1.099 13.616 -2.992 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -0.105 15.630 -2.466 1.00 0.00 H new ATOM 0 HD3 ARG A 57 0.125 15.023 -0.838 1.00 0.00 H new ATOM 0 HE ARG A 57 2.388 14.180 -1.489 1.00 0.00 H new ATOM 0 HH11 ARG A 57 2.443 17.086 -2.331 1.00 0.00 H new ATOM 0 HH12 ARG A 57 3.026 16.979 -3.995 1.00 0.00 H new ATOM 0 HH21 ARG A 57 2.301 13.558 -4.278 1.00 0.00 H new ATOM 0 HH22 ARG A 57 2.946 14.986 -5.095 1.00 0.00 H new ATOM 1347 N MET A 58 -0.585 10.509 -3.559 1.00 0.00 N ATOM 1348 CA MET A 58 -1.296 9.914 -4.733 1.00 0.00 C ATOM 1349 C MET A 58 -1.047 8.400 -4.803 1.00 0.00 C ATOM 1350 O MET A 58 -1.783 7.677 -5.450 1.00 0.00 O ATOM 1351 CB MET A 58 -0.703 10.613 -5.960 1.00 0.00 C ATOM 1352 CG MET A 58 -0.865 12.133 -5.822 1.00 0.00 C ATOM 1353 SD MET A 58 -2.083 12.724 -7.023 1.00 0.00 S ATOM 1354 CE MET A 58 -3.551 12.109 -6.163 1.00 0.00 C ATOM 0 H MET A 58 0.363 10.836 -3.747 1.00 0.00 H new ATOM 0 HA MET A 58 -2.375 10.053 -4.668 1.00 0.00 H new ATOM 0 HB2 MET A 58 0.352 10.358 -6.060 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.202 10.266 -6.864 1.00 0.00 H new ATOM 0 HG2 MET A 58 -1.185 12.385 -4.811 1.00 0.00 H new ATOM 0 HG3 MET A 58 0.092 12.628 -5.986 1.00 0.00 H new ATOM 0 HE1 MET A 58 -4.436 12.621 -6.541 1.00 0.00 H new ATOM 0 HE2 MET A 58 -3.651 11.037 -6.335 1.00 0.00 H new ATOM 0 HE3 MET A 58 -3.452 12.297 -5.094 1.00 0.00 H new ATOM 1364 N GLY A 59 -0.031 7.912 -4.139 1.00 0.00 N ATOM 1365 CA GLY A 59 0.253 6.444 -4.161 1.00 0.00 C ATOM 1366 C GLY A 59 1.421 6.124 -5.105 1.00 0.00 C ATOM 1367 O GLY A 59 1.702 4.967 -5.373 1.00 0.00 O ATOM 0 H GLY A 59 0.617 8.468 -3.581 1.00 0.00 H new ATOM 0 HA2 GLY A 59 0.490 6.101 -3.154 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -0.637 5.902 -4.481 1.00 0.00 H new ATOM 1371 N LYS A 60 2.110 7.120 -5.608 1.00 0.00 N ATOM 1372 CA LYS A 60 3.251 6.867 -6.522 1.00 0.00 C ATOM 1373 C LYS A 60 4.526 6.638 -5.700 1.00 0.00 C ATOM 1374 O LYS A 60 4.705 7.243 -4.661 1.00 0.00 O ATOM 1375 CB LYS A 60 3.338 8.163 -7.335 1.00 0.00 C ATOM 1376 CG LYS A 60 4.719 8.305 -7.959 1.00 0.00 C ATOM 1377 CD LYS A 60 5.263 9.717 -7.700 1.00 0.00 C ATOM 1378 CE LYS A 60 6.505 9.960 -8.575 1.00 0.00 C ATOM 1379 NZ LYS A 60 7.659 9.467 -7.768 1.00 0.00 N ATOM 0 H LYS A 60 1.923 8.105 -5.418 1.00 0.00 H new ATOM 0 HA LYS A 60 3.130 5.986 -7.153 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.577 8.162 -8.116 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.133 9.018 -6.691 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.396 7.562 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.665 8.117 -9.031 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.497 10.459 -7.924 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.520 9.831 -6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.430 9.425 -9.522 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.616 11.017 -8.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.287 8.899 -8.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.187 10.278 -7.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.309 8.881 -6.984 1.00 0.00 H new ATOM 1393 N SER A 61 5.415 5.784 -6.157 1.00 0.00 N ATOM 1394 CA SER A 61 6.683 5.543 -5.397 1.00 0.00 C ATOM 1395 C SER A 61 7.301 6.891 -5.011 1.00 0.00 C ATOM 1396 O SER A 61 7.702 7.669 -5.860 1.00 0.00 O ATOM 1397 CB SER A 61 7.596 4.771 -6.353 1.00 0.00 C ATOM 1398 OG SER A 61 6.905 3.619 -6.833 1.00 0.00 O ATOM 0 H SER A 61 5.317 5.247 -7.019 1.00 0.00 H new ATOM 0 HA SER A 61 6.523 4.982 -4.476 1.00 0.00 H new ATOM 0 HB2 SER A 61 7.890 5.407 -7.188 1.00 0.00 H new ATOM 0 HB3 SER A 61 8.511 4.474 -5.841 1.00 0.00 H new ATOM 0 HG SER A 61 7.485 3.122 -7.447 1.00 0.00 H new ATOM 1404 N LEU A 62 7.334 7.185 -3.742 1.00 0.00 N ATOM 1405 CA LEU A 62 7.870 8.500 -3.275 1.00 0.00 C ATOM 1406 C LEU A 62 9.396 8.641 -3.404 1.00 0.00 C ATOM 1407 O LEU A 62 9.857 9.729 -3.689 1.00 0.00 O ATOM 1408 CB LEU A 62 7.470 8.619 -1.806 1.00 0.00 C ATOM 1409 CG LEU A 62 6.591 9.859 -1.627 1.00 0.00 C ATOM 1410 CD1 LEU A 62 6.364 10.121 -0.140 1.00 0.00 C ATOM 1411 CD2 LEU A 62 7.263 11.085 -2.257 1.00 0.00 C ATOM 0 H LEU A 62 7.010 6.566 -2.999 1.00 0.00 H new ATOM 0 HA LEU A 62 7.457 9.289 -3.903 1.00 0.00 H new ATOM 0 HB2 LEU A 62 6.930 7.726 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.358 8.694 -1.179 1.00 0.00 H new ATOM 0 HG LEU A 62 5.635 9.681 -2.120 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.738 11.005 -0.018 1.00 0.00 H new ATOM 0 HD12 LEU A 62 5.869 9.260 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.323 10.285 0.351 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.626 11.959 -2.122 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.225 11.260 -1.776 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.416 10.909 -3.322 1.00 0.00 H new