USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 589 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 25 ASN : amide:sc= -0.846 K(o=-0.78,f=-5.2!) USER MOD Set 1.2: A 29 LYS NZ :NH3+ 138:sc= 0.0619 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 119:sc= -0.365 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.605 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -145:sc= 0.483 (180deg=0) USER MOD Set 3.2: A 12 THR OG1 : rot 171:sc= -0.468 USER MOD Single : A 2 GLN : amide:sc= -0.16 K(o=-0.16,f=-3.2!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 THR OG1 : rot -64:sc= 0.71 USER MOD Single : A 20 SER OG : rot -55:sc= 0.284 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -107:sc= -3.36 (180deg=-10.4!) USER MOD Single : A 31 GLN : amide:sc= -1.45 K(o=-1.5,f=-6.6!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.0715 X(o=-0.072,f=-0.0015) USER MOD Single : A 41 GLN : amide:sc= -6.53 K(o=-6.5,f=-10!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.635 X(o=-0.64,f=-0.44) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.909 USER MOD Single : A 57 SER OG : rot -69:sc= -0.611! USER MOD Single : A 59 TYR OH : rot 15:sc= -2.32 USER MOD Single : A 60 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.2!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -140:sc= -0.108 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 68 HIS : no HD1:sc= -0.431 X(o=-0.43,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.309 -8.583 7.107 1.00 0.00 N ATOM 327 CA GLN A 2 -2.147 -7.723 7.303 1.00 0.00 C ATOM 328 C GLN A 2 -1.594 -7.251 5.963 1.00 0.00 C ATOM 329 O GLN A 2 -1.055 -8.042 5.191 1.00 0.00 O ATOM 330 CB GLN A 2 -1.060 -8.467 8.083 1.00 0.00 C ATOM 331 CG GLN A 2 -0.312 -7.588 9.072 1.00 0.00 C ATOM 332 CD GLN A 2 0.483 -8.393 10.080 1.00 0.00 C ATOM 333 OE1 GLN A 2 1.693 -8.211 10.223 1.00 0.00 O ATOM 334 NE2 GLN A 2 -0.193 -9.291 10.788 1.00 0.00 N ATOM 0 HA GLN A 2 -2.462 -6.851 7.877 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -1.515 -9.299 8.621 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -0.347 -8.895 7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 2 0.362 -6.927 8.528 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.024 -6.953 9.599 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.195 -9.410 10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 2 0.290 -9.862 11.482 1.00 0.00 H new ATOM 343 N ILE A 3 -1.732 -5.956 5.694 1.00 0.00 N ATOM 344 CA ILE A 3 -1.248 -5.380 4.444 1.00 0.00 C ATOM 345 C ILE A 3 0.045 -4.605 4.661 1.00 0.00 C ATOM 346 O ILE A 3 0.484 -4.416 5.796 1.00 0.00 O ATOM 347 CB ILE A 3 -2.296 -4.443 3.814 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.735 -3.381 4.824 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.494 -5.241 3.321 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.193 -2.093 4.186 1.00 0.00 C ATOM 0 H ILE A 3 -2.174 -5.287 6.324 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.060 -6.211 3.765 1.00 0.00 H new ATOM 0 HB ILE A 3 -1.844 -3.940 2.959 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.545 -3.783 5.433 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.905 -3.168 5.498 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.225 -4.564 2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.167 -5.962 2.572 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.949 -5.769 4.159 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.489 -1.387 4.962 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.378 -1.667 3.600 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.043 -2.292 3.534 1.00 0.00 H new ATOM 362 N PHE A 4 0.654 -4.156 3.567 1.00 0.00 N ATOM 363 CA PHE A 4 1.898 -3.402 3.644 1.00 0.00 C ATOM 364 C PHE A 4 1.734 -2.008 3.049 1.00 0.00 C ATOM 365 O PHE A 4 1.582 -1.851 1.838 1.00 0.00 O ATOM 366 CB PHE A 4 3.024 -4.156 2.929 1.00 0.00 C ATOM 367 CG PHE A 4 4.069 -4.676 3.872 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.646 -3.834 4.805 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.457 -6.005 3.841 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.595 -4.302 5.692 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.410 -6.482 4.722 1.00 0.00 C ATOM 372 CZ PHE A 4 5.979 -5.629 5.650 1.00 0.00 C ATOM 0 H PHE A 4 0.306 -4.302 2.619 1.00 0.00 H new ATOM 0 HA PHE A 4 2.160 -3.292 4.696 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.599 -4.990 2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.495 -3.493 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.350 -2.796 4.840 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.011 -6.676 3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.036 -3.633 6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.710 -7.519 4.685 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.722 -5.999 6.341 1.00 0.00 H new ATOM 382 N VAL A 5 1.769 -0.998 3.912 1.00 0.00 N ATOM 383 CA VAL A 5 1.629 0.384 3.474 1.00 0.00 C ATOM 384 C VAL A 5 2.979 0.959 3.060 1.00 0.00 C ATOM 385 O VAL A 5 3.827 1.249 3.907 1.00 0.00 O ATOM 386 CB VAL A 5 1.020 1.269 4.580 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.791 2.684 4.072 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.280 0.664 5.091 1.00 0.00 C ATOM 0 H VAL A 5 1.893 -1.112 4.918 1.00 0.00 H new ATOM 0 HA VAL A 5 0.956 0.381 2.617 1.00 0.00 H new ATOM 0 HB VAL A 5 1.726 1.316 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.361 3.291 4.868 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.741 3.116 3.759 1.00 0.00 H new ATOM 0 HG13 VAL A 5 0.106 2.660 3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.696 1.302 5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.992 0.584 4.269 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.084 -0.328 5.499 1.00 0.00 H new ATOM 398 N LYS A 6 3.173 1.116 1.755 1.00 0.00 N ATOM 399 CA LYS A 6 4.421 1.653 1.224 1.00 0.00 C ATOM 400 C LYS A 6 4.321 3.161 1.019 1.00 0.00 C ATOM 401 O LYS A 6 3.357 3.655 0.437 1.00 0.00 O ATOM 402 CB LYS A 6 4.771 0.970 -0.100 1.00 0.00 C ATOM 403 CG LYS A 6 6.266 0.845 -0.343 1.00 0.00 C ATOM 404 CD LYS A 6 6.578 -0.262 -1.337 1.00 0.00 C ATOM 405 CE LYS A 6 7.972 -0.108 -1.923 1.00 0.00 C ATOM 406 NZ LYS A 6 9.017 -0.680 -1.028 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.481 0.879 1.044 1.00 0.00 H new ATOM 0 HA LYS A 6 5.211 1.454 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.324 -0.024 -0.116 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.324 1.533 -0.919 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.655 1.792 -0.717 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.773 0.642 0.600 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.495 -1.230 -0.843 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.841 -0.250 -2.140 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.015 -0.603 -2.893 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.179 0.948 -2.094 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.881 -0.104 -1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 8.671 -0.681 -0.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.229 -1.655 -1.321 1.00 0.00 H new ATOM 420 N THR A 7 5.325 3.886 1.500 1.00 0.00 N ATOM 421 CA THR A 7 5.349 5.339 1.368 1.00 0.00 C ATOM 422 C THR A 7 6.116 5.758 0.118 1.00 0.00 C ATOM 423 O THR A 7 6.917 4.992 -0.418 1.00 0.00 O ATOM 424 CB THR A 7 5.982 5.975 2.606 1.00 0.00 C ATOM 425 OG1 THR A 7 7.354 5.634 2.700 1.00 0.00 O ATOM 426 CG2 THR A 7 5.316 5.558 3.900 1.00 0.00 C ATOM 0 H THR A 7 6.132 3.493 1.984 1.00 0.00 H new ATOM 0 HA THR A 7 4.320 5.688 1.276 1.00 0.00 H new ATOM 0 HB THR A 7 5.850 7.049 2.478 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.897 6.449 2.665 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.814 6.045 4.739 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.267 5.852 3.880 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.388 4.476 4.014 1.00 0.00 H new ATOM 434 N LEU A 8 5.867 6.981 -0.341 1.00 0.00 N ATOM 435 CA LEU A 8 6.536 7.503 -1.527 1.00 0.00 C ATOM 436 C LEU A 8 8.049 7.503 -1.344 1.00 0.00 C ATOM 437 O LEU A 8 8.801 7.308 -2.299 1.00 0.00 O ATOM 438 CB LEU A 8 6.046 8.920 -1.832 1.00 0.00 C ATOM 439 CG LEU A 8 4.753 8.996 -2.644 1.00 0.00 C ATOM 440 CD1 LEU A 8 3.816 10.048 -2.079 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.052 9.314 -4.095 1.00 0.00 C ATOM 0 H LEU A 8 5.207 7.628 0.090 1.00 0.00 H new ATOM 0 HA LEU A 8 6.291 6.853 -2.367 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.897 9.447 -0.890 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.829 9.450 -2.374 1.00 0.00 H new ATOM 0 HG LEU A 8 4.267 8.022 -2.582 1.00 0.00 H new ATOM 0 HD11 LEU A 8 2.904 10.081 -2.675 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.566 9.797 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.304 11.022 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.119 9.364 -4.656 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.566 10.273 -4.159 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.687 8.534 -4.515 1.00 0.00 H new ATOM 453 N THR A 9 8.491 7.722 -0.110 1.00 0.00 N ATOM 454 CA THR A 9 9.916 7.745 0.200 1.00 0.00 C ATOM 455 C THR A 9 10.510 6.343 0.123 1.00 0.00 C ATOM 456 O THR A 9 11.685 6.173 -0.204 1.00 0.00 O ATOM 457 CB THR A 9 10.147 8.335 1.593 1.00 0.00 C ATOM 458 OG1 THR A 9 9.501 7.553 2.582 1.00 0.00 O ATOM 459 CG2 THR A 9 9.646 9.756 1.731 1.00 0.00 C ATOM 0 H THR A 9 7.883 7.886 0.692 1.00 0.00 H new ATOM 0 HA THR A 9 10.414 8.373 -0.539 1.00 0.00 H new ATOM 0 HB THR A 9 11.228 8.333 1.732 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.662 7.945 3.466 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.841 10.114 2.742 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.162 10.395 1.014 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.574 9.784 1.536 1.00 0.00 H new ATOM 467 N GLY A 10 9.691 5.341 0.427 1.00 0.00 N ATOM 468 CA GLY A 10 10.154 3.966 0.386 1.00 0.00 C ATOM 469 C GLY A 10 10.086 3.291 1.741 1.00 0.00 C ATOM 470 O GLY A 10 11.107 2.855 2.276 1.00 0.00 O ATOM 0 H GLY A 10 8.715 5.457 0.701 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.551 3.404 -0.327 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.181 3.942 0.023 1.00 0.00 H new ATOM 474 N LYS A 11 8.883 3.204 2.299 1.00 0.00 N ATOM 475 CA LYS A 11 8.689 2.576 3.601 1.00 0.00 C ATOM 476 C LYS A 11 7.422 1.728 3.614 1.00 0.00 C ATOM 477 O LYS A 11 6.310 2.254 3.678 1.00 0.00 O ATOM 478 CB LYS A 11 8.619 3.640 4.699 1.00 0.00 C ATOM 479 CG LYS A 11 8.355 3.072 6.087 1.00 0.00 C ATOM 480 CD LYS A 11 9.597 3.098 6.952 1.00 0.00 C ATOM 481 CE LYS A 11 9.929 1.721 7.503 1.00 0.00 C ATOM 482 NZ LYS A 11 11.192 1.726 8.291 1.00 0.00 N1+ ATOM 0 H LYS A 11 8.029 3.560 1.871 1.00 0.00 H new ATOM 0 HA LYS A 11 9.541 1.924 3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.557 4.194 4.716 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.832 4.353 4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.564 3.646 6.570 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.996 2.047 5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 11 10.439 3.469 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.451 3.794 7.778 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.110 1.375 8.133 1.00 0.00 H new ATOM 0 HE3 LYS A 11 10.018 1.013 6.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.382 0.768 8.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 11.979 2.031 7.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.099 2.382 9.092 1.00 0.00 H new ATOM 496 N THR A 12 7.600 0.412 3.564 1.00 0.00 N ATOM 497 CA THR A 12 6.475 -0.516 3.578 1.00 0.00 C ATOM 498 C THR A 12 6.331 -1.156 4.955 1.00 0.00 C ATOM 499 O THR A 12 7.177 -1.947 5.371 1.00 0.00 O ATOM 500 CB THR A 12 6.666 -1.600 2.514 1.00 0.00 C ATOM 501 OG1 THR A 12 7.633 -1.202 1.559 1.00 0.00 O ATOM 502 CG2 THR A 12 5.395 -1.937 1.767 1.00 0.00 C ATOM 0 H THR A 12 8.515 -0.037 3.513 1.00 0.00 H new ATOM 0 HA THR A 12 5.566 0.041 3.353 1.00 0.00 H new ATOM 0 HB THR A 12 6.992 -2.485 3.061 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.847 -1.959 0.975 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.602 -2.712 1.029 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.644 -2.297 2.470 1.00 0.00 H new ATOM 0 HG23 THR A 12 5.022 -1.045 1.263 1.00 0.00 H new ATOM 510 N ILE A 13 5.263 -0.804 5.666 1.00 0.00 N ATOM 511 CA ILE A 13 5.034 -1.347 7.001 1.00 0.00 C ATOM 512 C ILE A 13 3.802 -2.245 7.053 1.00 0.00 C ATOM 513 O ILE A 13 2.790 -1.970 6.410 1.00 0.00 O ATOM 514 CB ILE A 13 4.869 -0.231 8.048 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.152 0.563 8.190 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.493 -0.828 9.381 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.322 -0.286 8.588 1.00 0.00 C ATOM 0 H ILE A 13 4.549 -0.151 5.344 1.00 0.00 H new ATOM 0 HA ILE A 13 5.918 -1.940 7.235 1.00 0.00 H new ATOM 0 HB ILE A 13 4.077 0.440 7.714 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.374 1.058 7.245 1.00 0.00 H new ATOM 0 HG13 ILE A 13 6.008 1.346 8.934 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.378 -0.032 10.117 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.553 -1.371 9.284 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.276 -1.513 9.707 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.212 0.338 8.674 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.117 -0.761 9.548 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.489 -1.053 7.832 1.00 0.00 H new ATOM 529 N THR A 14 3.898 -3.316 7.839 1.00 0.00 N ATOM 530 CA THR A 14 2.791 -4.250 7.992 1.00 0.00 C ATOM 531 C THR A 14 1.718 -3.645 8.884 1.00 0.00 C ATOM 532 O THR A 14 1.958 -3.360 10.057 1.00 0.00 O ATOM 533 CB THR A 14 3.272 -5.579 8.582 1.00 0.00 C ATOM 534 OG1 THR A 14 4.681 -5.588 8.732 1.00 0.00 O ATOM 535 CG2 THR A 14 2.888 -6.775 7.738 1.00 0.00 C ATOM 0 H THR A 14 4.730 -3.556 8.378 1.00 0.00 H new ATOM 0 HA THR A 14 2.371 -4.445 7.005 1.00 0.00 H new ATOM 0 HB THR A 14 2.779 -5.661 9.550 1.00 0.00 H new ATOM 0 HG1 THR A 14 5.104 -5.521 7.851 1.00 0.00 H new ATOM 0 HG21 THR A 14 3.257 -7.686 8.209 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.803 -6.826 7.651 1.00 0.00 H new ATOM 0 HG23 THR A 14 3.327 -6.676 6.745 1.00 0.00 H new ATOM 543 N LEU A 15 0.537 -3.444 8.319 1.00 0.00 N ATOM 544 CA LEU A 15 -0.569 -2.862 9.061 1.00 0.00 C ATOM 545 C LEU A 15 -1.856 -3.639 8.807 1.00 0.00 C ATOM 546 O LEU A 15 -2.326 -3.735 7.673 1.00 0.00 O ATOM 547 CB LEU A 15 -0.735 -1.393 8.668 1.00 0.00 C ATOM 548 CG LEU A 15 -1.480 -0.521 9.678 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.842 -1.115 9.992 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.661 -0.359 10.950 1.00 0.00 C ATOM 0 H LEU A 15 0.321 -3.676 7.349 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.350 -2.919 10.127 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.254 -0.965 8.505 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.263 -1.347 7.716 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.629 0.465 9.238 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.358 -0.481 10.713 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.431 -1.178 9.077 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.716 -2.113 10.412 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.207 0.265 11.657 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.480 -1.338 11.394 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.292 0.113 10.711 1.00 0.00 H new ATOM 562 N GLU A 16 -2.418 -4.201 9.874 1.00 0.00 N ATOM 563 CA GLU A 16 -3.647 -4.980 9.775 1.00 0.00 C ATOM 564 C GLU A 16 -4.870 -4.073 9.719 1.00 0.00 C ATOM 565 O GLU A 16 -5.083 -3.244 10.604 1.00 0.00 O ATOM 566 CB GLU A 16 -3.763 -5.938 10.961 1.00 0.00 C ATOM 567 CG GLU A 16 -4.407 -7.258 10.614 1.00 0.00 C ATOM 568 CD GLU A 16 -5.919 -7.175 10.552 1.00 0.00 C ATOM 569 OE1 GLU A 16 -6.550 -7.029 11.620 1.00 0.00 O1- ATOM 570 OE2 GLU A 16 -6.473 -7.256 9.435 1.00 0.00 O ATOM 0 H GLU A 16 -2.040 -4.131 10.819 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.606 -5.556 8.851 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.768 -6.124 11.365 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.342 -5.457 11.750 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -4.027 -7.601 9.652 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.119 -8.004 11.355 1.00 0.00 H new ATOM 577 N VAL A 17 -5.674 -4.239 8.674 1.00 0.00 N ATOM 578 CA VAL A 17 -6.880 -3.441 8.499 1.00 0.00 C ATOM 579 C VAL A 17 -8.018 -4.286 7.937 1.00 0.00 C ATOM 580 O VAL A 17 -7.905 -4.852 6.850 1.00 0.00 O ATOM 581 CB VAL A 17 -6.635 -2.244 7.560 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.804 -1.176 8.255 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.959 -2.702 6.277 1.00 0.00 C ATOM 0 H VAL A 17 -5.511 -4.922 7.934 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.156 -3.067 9.485 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.600 -1.808 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.643 -0.340 7.574 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.331 -0.825 9.142 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.842 -1.597 8.547 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.794 -1.843 5.626 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.002 -3.166 6.516 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.596 -3.426 5.768 1.00 0.00 H new ATOM 593 N GLU A 18 -9.113 -4.368 8.685 1.00 0.00 N ATOM 594 CA GLU A 18 -10.271 -5.146 8.262 1.00 0.00 C ATOM 595 C GLU A 18 -10.822 -4.625 6.936 1.00 0.00 C ATOM 596 O GLU A 18 -10.819 -3.419 6.687 1.00 0.00 O ATOM 597 CB GLU A 18 -11.361 -5.102 9.334 1.00 0.00 C ATOM 598 CG GLU A 18 -10.981 -5.819 10.619 1.00 0.00 C ATOM 599 CD GLU A 18 -12.130 -6.623 11.199 1.00 0.00 C ATOM 600 OE1 GLU A 18 -12.455 -7.687 10.631 1.00 0.00 O1- ATOM 601 OE2 GLU A 18 -12.701 -6.188 12.220 1.00 0.00 O ATOM 0 H GLU A 18 -9.223 -3.905 9.587 1.00 0.00 H new ATOM 0 HA GLU A 18 -9.952 -6.179 8.121 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.592 -4.062 9.563 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.271 -5.549 8.934 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.139 -6.483 10.425 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.647 -5.087 11.354 1.00 0.00 H new ATOM 608 N PRO A 19 -11.305 -5.529 6.065 1.00 0.00 N ATOM 609 CA PRO A 19 -11.860 -5.149 4.762 1.00 0.00 C ATOM 610 C PRO A 19 -13.124 -4.306 4.895 1.00 0.00 C ATOM 611 O PRO A 19 -13.421 -3.474 4.038 1.00 0.00 O ATOM 612 CB PRO A 19 -12.181 -6.490 4.096 1.00 0.00 C ATOM 613 CG PRO A 19 -12.302 -7.461 5.220 1.00 0.00 C ATOM 614 CD PRO A 19 -11.349 -6.986 6.280 1.00 0.00 C ATOM 0 HA PRO A 19 -11.164 -4.535 4.191 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.106 -6.434 3.522 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.393 -6.785 3.403 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -13.323 -7.494 5.599 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -12.051 -8.470 4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.703 -7.235 7.280 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.364 -7.439 6.168 1.00 0.00 H new ATOM 622 N SER A 20 -13.866 -4.528 5.975 1.00 0.00 N ATOM 623 CA SER A 20 -15.100 -3.790 6.221 1.00 0.00 C ATOM 624 C SER A 20 -14.846 -2.590 7.127 1.00 0.00 C ATOM 625 O SER A 20 -15.613 -2.325 8.053 1.00 0.00 O ATOM 626 CB SER A 20 -16.150 -4.708 6.848 1.00 0.00 C ATOM 627 OG SER A 20 -17.422 -4.085 6.874 1.00 0.00 O ATOM 0 H SER A 20 -13.634 -5.213 6.694 1.00 0.00 H new ATOM 0 HA SER A 20 -15.473 -3.424 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.209 -5.638 6.283 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.849 -4.970 7.862 1.00 0.00 H new ATOM 0 HG SER A 20 -17.355 -3.225 7.339 1.00 0.00 H new ATOM 633 N ASP A 21 -13.765 -1.866 6.854 1.00 0.00 N ATOM 634 CA ASP A 21 -13.411 -0.693 7.645 1.00 0.00 C ATOM 635 C ASP A 21 -13.015 0.470 6.742 1.00 0.00 C ATOM 636 O ASP A 21 -12.463 0.270 5.661 1.00 0.00 O ATOM 637 CB ASP A 21 -12.265 -1.025 8.603 1.00 0.00 C ATOM 638 CG ASP A 21 -12.759 -1.535 9.942 1.00 0.00 C ATOM 639 OD1 ASP A 21 -13.439 -2.583 9.963 1.00 0.00 O ATOM 640 OD2 ASP A 21 -12.465 -0.889 10.969 1.00 0.00 O1- ATOM 0 H ASP A 21 -13.119 -2.071 6.091 1.00 0.00 H new ATOM 0 HA ASP A 21 -14.285 -0.398 8.225 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.620 -1.776 8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.656 -0.134 8.759 1.00 0.00 H new ATOM 645 N THR A 22 -13.300 1.687 7.195 1.00 0.00 N ATOM 646 CA THR A 22 -12.973 2.883 6.427 1.00 0.00 C ATOM 647 C THR A 22 -11.482 3.190 6.513 1.00 0.00 C ATOM 648 O THR A 22 -10.749 2.549 7.267 1.00 0.00 O ATOM 649 CB THR A 22 -13.781 4.077 6.934 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.419 4.401 8.265 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.276 3.842 6.911 1.00 0.00 C ATOM 0 H THR A 22 -13.756 1.871 8.089 1.00 0.00 H new ATOM 0 HA THR A 22 -13.230 2.698 5.384 1.00 0.00 H new ATOM 0 HB THR A 22 -13.546 4.893 6.251 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.946 5.169 8.570 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.789 4.728 7.283 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.597 3.639 5.889 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.520 2.989 7.544 1.00 0.00 H new ATOM 659 N ILE A 23 -11.036 4.173 5.737 1.00 0.00 N ATOM 660 CA ILE A 23 -9.632 4.560 5.729 1.00 0.00 C ATOM 661 C ILE A 23 -9.222 5.162 7.069 1.00 0.00 C ATOM 662 O ILE A 23 -8.071 5.042 7.489 1.00 0.00 O ATOM 663 CB ILE A 23 -9.329 5.573 4.609 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.871 5.063 3.271 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.832 5.834 4.518 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.319 3.712 2.872 1.00 0.00 C ATOM 0 H ILE A 23 -11.627 4.715 5.107 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.057 3.652 5.548 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.826 6.514 4.846 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.958 5.000 3.328 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.634 5.788 2.492 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.636 6.552 3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.475 6.237 5.466 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.312 4.901 4.301 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.746 3.413 1.915 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.234 3.774 2.782 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.578 2.974 3.631 1.00 0.00 H new ATOM 678 N GLU A 24 -10.172 5.810 7.737 1.00 0.00 N ATOM 679 CA GLU A 24 -9.912 6.432 9.031 1.00 0.00 C ATOM 680 C GLU A 24 -9.327 5.424 10.017 1.00 0.00 C ATOM 681 O GLU A 24 -8.377 5.729 10.737 1.00 0.00 O ATOM 682 CB GLU A 24 -11.199 7.031 9.600 1.00 0.00 C ATOM 683 CG GLU A 24 -11.470 8.450 9.128 1.00 0.00 C ATOM 684 CD GLU A 24 -12.064 9.324 10.215 1.00 0.00 C ATOM 685 OE1 GLU A 24 -11.655 9.175 11.385 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -12.939 10.156 9.896 1.00 0.00 O ATOM 0 H GLU A 24 -11.130 5.918 7.403 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.183 7.228 8.881 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.040 6.397 9.320 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.143 7.023 10.689 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.539 8.896 8.777 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -12.151 8.422 8.277 1.00 0.00 H new ATOM 693 N ASN A 25 -9.900 4.224 10.042 1.00 0.00 N ATOM 694 CA ASN A 25 -9.434 3.169 10.939 1.00 0.00 C ATOM 695 C ASN A 25 -8.023 2.723 10.564 1.00 0.00 C ATOM 696 O ASN A 25 -7.235 2.317 11.421 1.00 0.00 O ATOM 697 CB ASN A 25 -10.390 1.974 10.894 1.00 0.00 C ATOM 698 CG ASN A 25 -9.979 0.867 11.845 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.302 -0.083 11.455 1.00 0.00 O ATOM 700 ND2 ASN A 25 -10.388 0.985 13.103 1.00 0.00 N ATOM 0 H ASN A 25 -10.688 3.957 9.452 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.412 3.569 11.953 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.397 2.308 11.144 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.428 1.581 9.878 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.142 0.271 13.788 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.948 1.790 13.384 1.00 0.00 H new ATOM 707 N VAL A 26 -7.712 2.809 9.279 1.00 0.00 N ATOM 708 CA VAL A 26 -6.398 2.425 8.780 1.00 0.00 C ATOM 709 C VAL A 26 -5.375 3.484 9.141 1.00 0.00 C ATOM 710 O VAL A 26 -4.420 3.212 9.869 1.00 0.00 O ATOM 711 CB VAL A 26 -6.427 2.217 7.258 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.204 1.438 6.795 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.709 1.503 6.867 1.00 0.00 C ATOM 0 H VAL A 26 -8.354 3.143 8.560 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.117 1.481 9.248 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.402 3.189 6.765 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.246 1.303 5.714 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.301 1.989 7.057 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.188 0.463 7.282 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.729 1.356 5.787 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.753 0.535 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.567 2.105 7.167 1.00 0.00 H new ATOM 723 N LYS A 27 -5.603 4.709 8.675 1.00 0.00 N ATOM 724 CA LYS A 27 -4.714 5.810 9.011 1.00 0.00 C ATOM 725 C LYS A 27 -4.647 5.932 10.527 1.00 0.00 C ATOM 726 O LYS A 27 -3.672 6.429 11.088 1.00 0.00 O ATOM 727 CB LYS A 27 -5.212 7.117 8.391 1.00 0.00 C ATOM 728 CG LYS A 27 -5.399 7.044 6.885 1.00 0.00 C ATOM 729 CD LYS A 27 -4.225 6.354 6.208 1.00 0.00 C ATOM 730 CE LYS A 27 -3.887 7.014 4.881 1.00 0.00 C ATOM 731 NZ LYS A 27 -3.538 8.452 5.046 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.386 4.960 8.071 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.720 5.612 8.611 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.160 7.390 8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.503 7.912 8.623 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.319 6.505 6.658 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.512 8.051 6.483 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.355 6.385 6.864 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -4.463 5.303 6.044 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.052 6.489 4.417 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.736 6.922 4.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.316 9.041 4.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.383 8.658 6.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.670 8.662 4.512 1.00 0.00 H new ATOM 745 N ALA A 28 -5.697 5.433 11.175 1.00 0.00 N ATOM 746 CA ALA A 28 -5.792 5.427 12.620 1.00 0.00 C ATOM 747 C ALA A 28 -4.688 4.560 13.206 1.00 0.00 C ATOM 748 O ALA A 28 -3.864 5.024 13.994 1.00 0.00 O ATOM 749 CB ALA A 28 -7.156 4.897 13.030 1.00 0.00 C ATOM 0 H ALA A 28 -6.504 5.022 10.705 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.674 6.442 13.000 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.232 4.891 14.117 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.935 5.537 12.615 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.281 3.882 12.652 1.00 0.00 H new ATOM 755 N LYS A 29 -4.669 3.295 12.795 1.00 0.00 N ATOM 756 CA LYS A 29 -3.655 2.358 13.258 1.00 0.00 C ATOM 757 C LYS A 29 -2.274 2.820 12.809 1.00 0.00 C ATOM 758 O LYS A 29 -1.314 2.782 13.577 1.00 0.00 O ATOM 759 CB LYS A 29 -3.941 0.955 12.720 1.00 0.00 C ATOM 760 CG LYS A 29 -5.254 0.370 13.214 1.00 0.00 C ATOM 761 CD LYS A 29 -5.373 -1.105 12.863 1.00 0.00 C ATOM 762 CE LYS A 29 -6.783 -1.458 12.416 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.713 -1.596 13.570 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.345 2.897 12.143 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.681 2.325 14.347 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.955 0.989 11.631 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.126 0.291 13.008 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.326 0.495 14.294 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.087 0.918 12.774 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.666 -1.350 12.070 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.102 -1.709 13.729 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.154 -0.686 11.741 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.762 -2.391 11.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.621 -1.145 13.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.868 -2.604 13.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.300 -1.135 14.406 1.00 0.00 H new ATOM 777 N ILE A 30 -2.188 3.273 11.560 1.00 0.00 N ATOM 778 CA ILE A 30 -0.930 3.761 11.010 1.00 0.00 C ATOM 779 C ILE A 30 -0.457 4.990 11.779 1.00 0.00 C ATOM 780 O ILE A 30 0.742 5.260 11.868 1.00 0.00 O ATOM 781 CB ILE A 30 -1.064 4.115 9.511 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.476 2.880 8.711 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.245 4.682 8.975 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.680 3.156 7.236 1.00 0.00 C ATOM 0 H ILE A 30 -2.975 3.311 10.912 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.198 2.960 11.111 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.837 4.876 9.403 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.712 2.111 8.826 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.399 2.478 9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.131 4.925 7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.505 5.584 9.529 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.037 3.943 9.094 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.971 2.235 6.730 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.464 3.902 7.111 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.752 3.529 6.804 1.00 0.00 H new ATOM 796 N GLN A 31 -1.411 5.728 12.338 1.00 0.00 N ATOM 797 CA GLN A 31 -1.105 6.929 13.105 1.00 0.00 C ATOM 798 C GLN A 31 -0.455 6.563 14.436 1.00 0.00 C ATOM 799 O GLN A 31 0.625 7.049 14.764 1.00 0.00 O ATOM 800 CB GLN A 31 -2.381 7.742 13.344 1.00 0.00 C ATOM 801 CG GLN A 31 -2.179 8.951 14.244 1.00 0.00 C ATOM 802 CD GLN A 31 -3.484 9.631 14.609 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.669 10.821 14.356 1.00 0.00 O ATOM 804 NE2 GLN A 31 -4.397 8.876 15.209 1.00 0.00 N ATOM 0 H GLN A 31 -2.406 5.514 12.273 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.403 7.536 12.533 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.772 8.077 12.383 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.136 7.093 13.787 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.669 8.640 15.155 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.528 9.667 13.743 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.201 7.893 15.399 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.294 9.279 15.479 1.00 0.00 H new ATOM 813 N ASP A 32 -1.121 5.702 15.197 1.00 0.00 N ATOM 814 CA ASP A 32 -0.606 5.270 16.491 1.00 0.00 C ATOM 815 C ASP A 32 0.656 4.425 16.329 1.00 0.00 C ATOM 816 O ASP A 32 1.449 4.294 17.261 1.00 0.00 O ATOM 817 CB ASP A 32 -1.672 4.472 17.246 1.00 0.00 C ATOM 818 CG ASP A 32 -1.644 4.737 18.738 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.539 4.944 19.283 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -2.725 4.738 19.362 1.00 0.00 O ATOM 0 H ASP A 32 -2.018 5.290 14.941 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.350 6.161 17.064 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.657 4.725 16.853 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.521 3.408 17.066 1.00 0.00 H new ATOM 825 N LYS A 33 0.836 3.852 15.141 1.00 0.00 N ATOM 826 CA LYS A 33 2.001 3.018 14.864 1.00 0.00 C ATOM 827 C LYS A 33 3.190 3.864 14.416 1.00 0.00 C ATOM 828 O LYS A 33 4.141 4.068 15.171 1.00 0.00 O ATOM 829 CB LYS A 33 1.667 1.981 13.790 1.00 0.00 C ATOM 830 CG LYS A 33 1.251 0.631 14.355 1.00 0.00 C ATOM 831 CD LYS A 33 1.880 -0.516 13.582 1.00 0.00 C ATOM 832 CE LYS A 33 3.392 -0.527 13.732 1.00 0.00 C ATOM 833 NZ LYS A 33 3.840 -1.494 14.771 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.191 3.950 14.357 1.00 0.00 H new ATOM 0 HA LYS A 33 2.273 2.505 15.787 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.863 2.366 13.163 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.536 1.844 13.146 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.544 0.568 15.403 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.165 0.541 14.322 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.471 -1.462 13.937 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.619 -0.431 12.527 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.850 -0.783 12.776 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.738 0.473 13.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.877 -1.471 14.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.424 -1.235 15.688 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.532 -2.452 14.509 1.00 0.00 H new ATOM 847 N GLU A 34 3.133 4.344 13.178 1.00 0.00 N ATOM 848 CA GLU A 34 4.208 5.159 12.621 1.00 0.00 C ATOM 849 C GLU A 34 4.264 6.534 13.282 1.00 0.00 C ATOM 850 O GLU A 34 5.335 7.131 13.398 1.00 0.00 O ATOM 851 CB GLU A 34 4.022 5.317 11.111 1.00 0.00 C ATOM 852 CG GLU A 34 4.518 4.124 10.310 1.00 0.00 C ATOM 853 CD GLU A 34 4.107 4.190 8.852 1.00 0.00 C ATOM 854 OE1 GLU A 34 3.147 4.925 8.538 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 4.747 3.508 8.023 1.00 0.00 O ATOM 0 H GLU A 34 2.353 4.183 12.540 1.00 0.00 H new ATOM 0 HA GLU A 34 5.150 4.648 12.819 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.965 5.473 10.898 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.550 6.211 10.780 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.605 4.073 10.375 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.129 3.207 10.752 1.00 0.00 H new ATOM 862 N GLY A 35 3.110 7.034 13.709 1.00 0.00 N ATOM 863 CA GLY A 35 3.061 8.338 14.344 1.00 0.00 C ATOM 864 C GLY A 35 2.643 9.432 13.382 1.00 0.00 C ATOM 865 O GLY A 35 3.028 10.589 13.540 1.00 0.00 O ATOM 0 H GLY A 35 2.210 6.561 13.627 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.362 8.306 15.180 1.00 0.00 H new ATOM 0 HA3 GLY A 35 4.041 8.576 14.757 1.00 0.00 H new ATOM 869 N ILE A 36 1.854 9.061 12.378 1.00 0.00 N ATOM 870 CA ILE A 36 1.384 10.015 11.380 1.00 0.00 C ATOM 871 C ILE A 36 -0.143 10.039 11.314 1.00 0.00 C ATOM 872 O ILE A 36 -0.767 9.050 10.931 1.00 0.00 O ATOM 873 CB ILE A 36 1.939 9.675 9.982 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.457 9.500 10.042 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.565 10.760 8.983 1.00 0.00 C ATOM 876 CD1 ILE A 36 4.051 8.928 8.773 1.00 0.00 C ATOM 0 H ILE A 36 1.527 8.106 12.234 1.00 0.00 H new ATOM 0 HA ILE A 36 1.746 10.997 11.684 1.00 0.00 H new ATOM 0 HB ILE A 36 1.495 8.736 9.650 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.918 10.466 10.246 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.706 8.846 10.877 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.964 10.504 8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.480 10.841 8.923 1.00 0.00 H new ATOM 0 HG23 ILE A 36 1.983 11.713 9.308 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.131 8.832 8.888 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.618 7.947 8.579 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.833 9.593 7.937 1.00 0.00 H new ATOM 888 N PRO A 37 -0.769 11.171 11.686 1.00 0.00 N ATOM 889 CA PRO A 37 -2.230 11.303 11.661 1.00 0.00 C ATOM 890 C PRO A 37 -2.791 11.236 10.242 1.00 0.00 C ATOM 891 O PRO A 37 -2.107 11.583 9.279 1.00 0.00 O ATOM 892 CB PRO A 37 -2.483 12.685 12.272 1.00 0.00 C ATOM 893 CG PRO A 37 -1.207 13.431 12.088 1.00 0.00 C ATOM 894 CD PRO A 37 -0.111 12.404 12.156 1.00 0.00 C ATOM 0 HA PRO A 37 -2.719 10.493 12.202 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -3.310 13.191 11.774 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.746 12.607 13.327 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -1.194 13.952 11.131 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.082 14.187 12.864 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.734 12.675 11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.273 12.293 13.170 1.00 0.00 H new ATOM 902 N PRO A 38 -4.049 10.784 10.092 1.00 0.00 N ATOM 903 CA PRO A 38 -4.698 10.670 8.781 1.00 0.00 C ATOM 904 C PRO A 38 -4.778 12.006 8.050 1.00 0.00 C ATOM 905 O PRO A 38 -4.835 12.050 6.821 1.00 0.00 O ATOM 906 CB PRO A 38 -6.107 10.163 9.113 1.00 0.00 C ATOM 907 CG PRO A 38 -5.995 9.559 10.470 1.00 0.00 C ATOM 908 CD PRO A 38 -4.935 10.347 11.186 1.00 0.00 C ATOM 0 HA PRO A 38 -4.140 10.012 8.115 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.831 10.978 9.103 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.444 9.428 8.382 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.946 9.612 11.000 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.723 8.505 10.407 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.358 11.194 11.726 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.403 9.737 11.916 1.00 0.00 H new ATOM 916 N ASP A 39 -4.787 13.095 8.812 1.00 0.00 N ATOM 917 CA ASP A 39 -4.868 14.433 8.234 1.00 0.00 C ATOM 918 C ASP A 39 -3.499 14.932 7.773 1.00 0.00 C ATOM 919 O ASP A 39 -3.384 16.034 7.234 1.00 0.00 O ATOM 920 CB ASP A 39 -5.461 15.412 9.249 1.00 0.00 C ATOM 921 CG ASP A 39 -6.301 16.489 8.592 1.00 0.00 C ATOM 922 OD1 ASP A 39 -7.513 16.261 8.396 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -5.746 17.561 8.272 1.00 0.00 O ATOM 0 H ASP A 39 -4.739 13.078 9.831 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.518 14.376 7.361 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.074 14.863 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.654 15.879 9.814 1.00 0.00 H new ATOM 928 N GLN A 40 -2.461 14.126 7.985 1.00 0.00 N ATOM 929 CA GLN A 40 -1.110 14.507 7.586 1.00 0.00 C ATOM 930 C GLN A 40 -0.628 13.677 6.399 1.00 0.00 C ATOM 931 O GLN A 40 0.219 14.121 5.625 1.00 0.00 O ATOM 932 CB GLN A 40 -0.142 14.342 8.759 1.00 0.00 C ATOM 933 CG GLN A 40 -0.063 15.566 9.658 1.00 0.00 C ATOM 934 CD GLN A 40 0.804 16.663 9.073 1.00 0.00 C ATOM 935 OE1 GLN A 40 0.346 17.784 8.859 1.00 0.00 O ATOM 936 NE2 GLN A 40 2.066 16.342 8.810 1.00 0.00 N ATOM 0 H GLN A 40 -2.529 13.210 8.428 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.136 15.554 7.285 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.449 13.483 9.355 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.852 14.122 8.371 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.068 15.953 9.828 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.334 15.273 10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.403 15.399 9.004 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.698 17.038 8.414 1.00 0.00 H new ATOM 945 N GLN A 41 -1.166 12.469 6.264 1.00 0.00 N ATOM 946 CA GLN A 41 -0.780 11.583 5.170 1.00 0.00 C ATOM 947 C GLN A 41 -2.003 11.074 4.414 1.00 0.00 C ATOM 948 O GLN A 41 -3.131 11.172 4.897 1.00 0.00 O ATOM 949 CB GLN A 41 0.027 10.399 5.711 1.00 0.00 C ATOM 950 CG GLN A 41 -0.778 9.477 6.612 1.00 0.00 C ATOM 951 CD GLN A 41 0.099 8.614 7.498 1.00 0.00 C ATOM 952 OE1 GLN A 41 1.290 8.447 7.239 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.491 8.059 8.550 1.00 0.00 N ATOM 0 H GLN A 41 -1.868 12.082 6.895 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.163 12.154 4.476 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.419 9.823 4.872 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.885 10.778 6.266 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.442 10.075 7.236 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.410 8.836 5.998 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.482 8.225 8.726 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.047 7.466 9.182 1.00 0.00 H new ATOM 962 N ARG A 42 -1.768 10.528 3.226 1.00 0.00 N ATOM 963 CA ARG A 42 -2.845 9.996 2.398 1.00 0.00 C ATOM 964 C ARG A 42 -2.486 8.608 1.876 1.00 0.00 C ATOM 965 O ARG A 42 -1.353 8.152 2.031 1.00 0.00 O ATOM 966 CB ARG A 42 -3.129 10.938 1.226 1.00 0.00 C ATOM 967 CG ARG A 42 -4.141 12.024 1.551 1.00 0.00 C ATOM 968 CD ARG A 42 -5.462 11.434 2.019 1.00 0.00 C ATOM 969 NE ARG A 42 -6.544 12.415 1.983 1.00 0.00 N ATOM 970 CZ ARG A 42 -7.063 12.906 0.860 1.00 0.00 C ATOM 971 NH1 ARG A 42 -6.603 12.510 -0.321 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -8.045 13.795 0.917 1.00 0.00 N ATOM 0 H ARG A 42 -0.839 10.442 2.814 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.741 9.916 3.013 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -2.196 11.405 0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.494 10.354 0.381 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.739 12.677 2.325 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.310 12.641 0.669 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -5.723 10.584 1.389 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -5.350 11.055 3.035 1.00 0.00 H new ATOM 0 HE ARG A 42 -6.924 12.743 2.871 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -5.848 11.826 -0.371 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -7.005 12.890 -1.178 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -8.403 14.103 1.821 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -8.443 14.171 0.056 1.00 0.00 H new ATOM 986 N LEU A 43 -3.455 7.938 1.260 1.00 0.00 N ATOM 987 CA LEU A 43 -3.232 6.601 0.721 1.00 0.00 C ATOM 988 C LEU A 43 -3.878 6.447 -0.652 1.00 0.00 C ATOM 989 O LEU A 43 -4.897 7.073 -0.945 1.00 0.00 O ATOM 990 CB LEU A 43 -3.784 5.543 1.684 1.00 0.00 C ATOM 991 CG LEU A 43 -2.853 4.367 1.966 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.487 4.872 2.364 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.436 3.473 3.050 1.00 0.00 C ATOM 0 H LEU A 43 -4.399 8.298 1.122 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.157 6.457 0.609 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.026 6.028 2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.718 5.156 1.276 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.751 3.773 1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.830 4.025 2.563 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.071 5.472 1.555 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.573 5.484 3.262 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.759 2.640 3.238 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.565 4.049 3.966 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.402 3.089 2.724 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.276 5.608 -1.488 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.787 5.365 -2.832 1.00 0.00 C ATOM 1007 C ILE A 44 -3.595 3.906 -3.233 1.00 0.00 C ATOM 1008 O ILE A 44 -2.553 3.307 -2.957 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.091 6.266 -3.870 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.103 7.723 -3.404 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.770 6.133 -5.226 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.904 8.097 -2.560 1.00 0.00 C ATOM 0 H ILE A 44 -2.432 5.084 -1.258 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.851 5.600 -2.815 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.054 5.945 -3.970 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.140 8.375 -4.277 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.012 7.905 -2.831 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.267 6.775 -5.949 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.715 5.097 -5.561 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.815 6.431 -5.140 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.979 9.144 -2.265 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.877 7.470 -1.669 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.992 7.947 -3.137 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.604 3.339 -3.885 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.548 1.950 -4.324 1.00 0.00 C ATOM 1026 C PHE A 45 -5.107 1.803 -5.735 1.00 0.00 C ATOM 1027 O PHE A 45 -6.296 2.020 -5.968 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.326 1.055 -3.357 1.00 0.00 C ATOM 1029 CG PHE A 45 -5.273 -0.403 -3.713 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -4.097 -1.122 -3.570 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -6.399 -1.055 -4.191 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -4.045 -2.463 -3.897 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -6.352 -2.397 -4.519 1.00 0.00 C ATOM 1034 CZ PHE A 45 -5.173 -3.101 -4.372 1.00 0.00 C ATOM 0 H PHE A 45 -5.471 3.821 -4.121 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.503 1.639 -4.333 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.929 1.190 -2.351 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.367 1.377 -3.334 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.211 -0.628 -3.199 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.323 -0.509 -4.308 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -3.122 -3.012 -3.781 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -7.236 -2.894 -4.890 1.00 0.00 H new ATOM 0 HZ PHE A 45 -5.134 -4.149 -4.628 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.242 1.431 -6.673 1.00 0.00 N ATOM 1045 CA ALA A 46 -4.648 1.255 -8.062 1.00 0.00 C ATOM 1046 C ALA A 46 -5.241 2.541 -8.630 1.00 0.00 C ATOM 1047 O ALA A 46 -6.096 2.504 -9.515 1.00 0.00 O ATOM 1048 CB ALA A 46 -5.650 0.115 -8.177 1.00 0.00 C ATOM 0 H ALA A 46 -3.255 1.246 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 46 -3.761 1.007 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -5.945 -0.006 -9.219 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.194 -0.808 -7.820 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -6.530 0.342 -7.575 1.00 0.00 H new ATOM 1054 N GLY A 47 -4.781 3.677 -8.115 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.277 4.957 -8.583 1.00 0.00 C ATOM 1056 C GLY A 47 -6.393 5.502 -7.713 1.00 0.00 C ATOM 1057 O GLY A 47 -6.599 6.713 -7.643 1.00 0.00 O ATOM 0 H GLY A 47 -4.074 3.733 -7.382 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.456 5.674 -8.607 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.637 4.851 -9.606 1.00 0.00 H new ATOM 1061 N LYS A 48 -7.115 4.605 -7.047 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.215 5.005 -6.177 1.00 0.00 C ATOM 1063 C LYS A 48 -7.706 5.825 -4.996 1.00 0.00 C ATOM 1064 O LYS A 48 -6.698 5.483 -4.378 1.00 0.00 O ATOM 1065 CB LYS A 48 -8.965 3.771 -5.670 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.852 3.123 -6.721 1.00 0.00 C ATOM 1067 CD LYS A 48 -9.177 1.917 -7.355 1.00 0.00 C ATOM 1068 CE LYS A 48 -9.645 1.704 -8.785 1.00 0.00 C ATOM 1069 NZ LYS A 48 -9.517 0.281 -9.205 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.958 3.598 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.898 5.625 -6.758 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.242 3.037 -5.315 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.578 4.055 -4.814 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.793 2.816 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.095 3.853 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.096 2.055 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.392 1.026 -6.764 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.685 2.018 -8.877 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.061 2.334 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -9.846 0.178 -10.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.521 -0.011 -9.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.094 -0.318 -8.581 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.410 6.909 -4.689 1.00 0.00 N ATOM 1084 CA GLN A 49 -8.030 7.779 -3.582 1.00 0.00 C ATOM 1085 C GLN A 49 -8.602 7.265 -2.265 1.00 0.00 C ATOM 1086 O GLN A 49 -9.816 7.272 -2.059 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.514 9.207 -3.839 1.00 0.00 C ATOM 1088 CG GLN A 49 -9.980 9.292 -4.234 1.00 0.00 C ATOM 1089 CD GLN A 49 -10.173 9.435 -5.730 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -10.914 8.670 -6.348 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -9.505 10.418 -6.321 1.00 0.00 N ATOM 0 H GLN A 49 -9.247 7.206 -5.191 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.942 7.779 -3.509 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -8.353 9.803 -2.941 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.907 9.651 -4.629 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.498 8.397 -3.888 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.440 10.142 -3.729 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.902 11.028 -5.770 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.595 10.563 -7.327 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.720 6.819 -1.376 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.138 6.302 -0.079 1.00 0.00 C ATOM 1102 C LEU A 50 -8.273 7.430 0.939 1.00 0.00 C ATOM 1103 O LEU A 50 -7.429 7.590 1.822 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.135 5.258 0.422 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.492 3.807 0.095 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.308 3.532 -1.390 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.655 2.851 0.925 1.00 0.00 C ATOM 0 H LEU A 50 -6.712 6.805 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.113 5.830 -0.198 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.158 5.481 -0.006 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.040 5.358 1.503 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.541 3.647 0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.567 2.495 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.956 4.193 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.269 3.711 -1.667 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.924 1.824 0.678 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.599 3.012 0.710 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.841 3.030 1.984 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.341 8.211 0.809 1.00 0.00 N ATOM 1120 CA GLU A 51 -9.589 9.326 1.716 1.00 0.00 C ATOM 1121 C GLU A 51 -10.208 8.838 3.022 1.00 0.00 C ATOM 1122 O GLU A 51 -10.618 7.683 3.131 1.00 0.00 O ATOM 1123 CB GLU A 51 -10.512 10.351 1.056 1.00 0.00 C ATOM 1124 CG GLU A 51 -10.092 10.731 -0.355 1.00 0.00 C ATOM 1125 CD GLU A 51 -11.265 10.817 -1.311 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -11.877 9.766 -1.595 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -11.572 11.934 -1.776 1.00 0.00 O ATOM 0 H GLU A 51 -10.049 8.092 0.084 1.00 0.00 H new ATOM 0 HA GLU A 51 -8.632 9.798 1.941 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -11.525 9.950 1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -10.541 11.250 1.672 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.577 11.692 -0.330 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.378 9.996 -0.727 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.275 9.725 4.009 1.00 0.00 N ATOM 1135 CA ASP A 52 -10.847 9.385 5.307 1.00 0.00 C ATOM 1136 C ASP A 52 -12.359 9.208 5.205 1.00 0.00 C ATOM 1137 O ASP A 52 -13.127 9.966 5.800 1.00 0.00 O ATOM 1138 CB ASP A 52 -10.514 10.468 6.335 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.070 10.403 6.796 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -8.739 9.492 7.581 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -8.273 11.264 6.370 1.00 0.00 O1- ATOM 0 H ASP A 52 -9.940 10.686 3.935 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.411 8.441 5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.711 11.449 5.902 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.173 10.362 7.197 1.00 0.00 H new ATOM 1146 N GLY A 53 -12.781 8.203 4.445 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.198 7.942 4.275 1.00 0.00 C ATOM 1148 C GLY A 53 -14.476 6.945 3.167 1.00 0.00 C ATOM 1149 O GLY A 53 -15.461 7.073 2.440 1.00 0.00 O ATOM 0 H GLY A 53 -12.165 7.563 3.943 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.609 7.564 5.211 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.713 8.877 4.055 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.605 5.947 3.039 1.00 0.00 N ATOM 1154 CA ARG A 54 -13.761 4.924 2.014 1.00 0.00 C ATOM 1155 C ARG A 54 -13.467 3.540 2.583 1.00 0.00 C ATOM 1156 O ARG A 54 -12.540 3.368 3.374 1.00 0.00 O ATOM 1157 CB ARG A 54 -12.833 5.211 0.832 1.00 0.00 C ATOM 1158 CG ARG A 54 -13.228 6.444 0.035 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.497 6.207 -0.767 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.664 6.820 -0.137 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.921 6.484 -0.421 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -17.177 5.543 -1.321 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -17.925 7.090 0.199 1.00 0.00 N ATOM 0 H ARG A 54 -12.785 5.827 3.633 1.00 0.00 H new ATOM 0 HA ARG A 54 -14.794 4.944 1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -11.816 5.338 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.825 4.346 0.168 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -13.377 7.284 0.713 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -12.416 6.718 -0.639 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.372 6.612 -1.771 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -14.664 5.135 -0.874 1.00 0.00 H new ATOM 0 HE ARG A 54 -15.507 7.547 0.561 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.409 5.073 -1.800 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.142 5.290 -1.534 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -17.734 7.813 0.893 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -18.888 6.833 -0.018 1.00 0.00 H new ATOM 1177 N THR A 55 -14.262 2.557 2.176 1.00 0.00 N ATOM 1178 CA THR A 55 -14.087 1.188 2.648 1.00 0.00 C ATOM 1179 C THR A 55 -12.858 0.542 2.017 1.00 0.00 C ATOM 1180 O THR A 55 -12.290 1.067 1.059 1.00 0.00 O ATOM 1181 CB THR A 55 -15.334 0.357 2.339 1.00 0.00 C ATOM 1182 OG1 THR A 55 -16.038 0.901 1.236 1.00 0.00 O ATOM 1183 CG2 THR A 55 -16.299 0.272 3.502 1.00 0.00 C ATOM 0 H THR A 55 -15.034 2.682 1.521 1.00 0.00 H new ATOM 0 HA THR A 55 -13.939 1.220 3.727 1.00 0.00 H new ATOM 0 HB THR A 55 -14.967 -0.645 2.118 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.831 0.355 1.053 1.00 0.00 H new ATOM 0 HG21 THR A 55 -17.161 -0.331 3.216 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.801 -0.188 4.355 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.631 1.274 3.773 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.454 -0.600 2.563 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.293 -1.324 2.059 1.00 0.00 C ATOM 1193 C LEU A 56 -11.683 -2.288 0.945 1.00 0.00 C ATOM 1194 O LEU A 56 -11.210 -2.171 -0.186 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.617 -2.089 3.188 1.00 0.00 C ATOM 1196 CG LEU A 56 -10.035 -1.232 4.313 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.794 -1.879 4.862 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.673 0.152 3.828 1.00 0.00 C ATOM 0 H LEU A 56 -12.915 -1.045 3.357 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.596 -0.592 1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.342 -2.779 3.620 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.815 -2.693 2.764 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.800 -1.149 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.386 -1.262 5.663 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.041 -2.866 5.254 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -8.054 -1.979 4.068 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.263 0.732 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.930 0.077 3.034 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.565 0.648 3.444 1.00 0.00 H new ATOM 1210 N SER A 57 -12.547 -3.244 1.274 1.00 0.00 N ATOM 1211 CA SER A 57 -13.002 -4.234 0.307 1.00 0.00 C ATOM 1212 C SER A 57 -13.547 -3.565 -0.952 1.00 0.00 C ATOM 1213 O SER A 57 -13.540 -4.155 -2.033 1.00 0.00 O ATOM 1214 CB SER A 57 -14.073 -5.128 0.934 1.00 0.00 C ATOM 1215 OG SER A 57 -14.592 -4.550 2.119 1.00 0.00 O ATOM 0 H SER A 57 -12.946 -3.353 2.206 1.00 0.00 H new ATOM 0 HA SER A 57 -12.147 -4.846 0.021 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.881 -5.288 0.220 1.00 0.00 H new ATOM 0 HB3 SER A 57 -13.648 -6.106 1.159 1.00 0.00 H new ATOM 0 HG SER A 57 -13.905 -4.565 2.818 1.00 0.00 H new ATOM 1221 N ASP A 58 -14.016 -2.329 -0.808 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.560 -1.583 -1.936 1.00 0.00 C ATOM 1223 C ASP A 58 -13.483 -1.323 -2.983 1.00 0.00 C ATOM 1224 O ASP A 58 -13.768 -1.253 -4.178 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.156 -0.257 -1.458 1.00 0.00 C ATOM 1226 CG ASP A 58 -16.103 0.350 -2.474 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -15.826 0.235 -3.686 1.00 0.00 O1- ATOM 1228 OD2 ASP A 58 -17.121 0.943 -2.057 1.00 0.00 O ATOM 0 H ASP A 58 -14.030 -1.824 0.078 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.348 -2.183 -2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.688 -0.418 -0.520 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.350 0.447 -1.251 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.242 -1.181 -2.526 1.00 0.00 N ATOM 1234 CA TYR A 59 -11.120 -0.930 -3.424 1.00 0.00 C ATOM 1235 C TYR A 59 -10.346 -2.215 -3.720 1.00 0.00 C ATOM 1236 O TYR A 59 -9.307 -2.183 -4.380 1.00 0.00 O ATOM 1237 CB TYR A 59 -10.179 0.112 -2.817 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.788 1.493 -2.712 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -11.552 2.018 -3.747 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.597 2.271 -1.576 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -12.108 3.278 -3.653 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -11.151 3.533 -1.476 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.905 4.033 -2.517 1.00 0.00 C ATOM 1244 OH TYR A 59 -12.459 5.288 -2.420 1.00 0.00 O ATOM 0 H TYR A 59 -11.988 -1.236 -1.540 1.00 0.00 H new ATOM 0 HA TYR A 59 -11.524 -0.550 -4.363 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.877 -0.219 -1.823 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.274 0.168 -3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -11.713 1.431 -4.639 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.007 1.883 -0.759 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.700 3.671 -4.466 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.994 4.125 -0.587 1.00 0.00 H new ATOM 0 HH TYR A 59 -13.145 5.397 -3.111 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.855 -3.344 -3.232 1.00 0.00 N ATOM 1255 CA ASN A 60 -10.205 -4.632 -3.451 1.00 0.00 C ATOM 1256 C ASN A 60 -8.790 -4.633 -2.879 1.00 0.00 C ATOM 1257 O ASN A 60 -7.808 -4.651 -3.621 1.00 0.00 O ATOM 1258 CB ASN A 60 -10.165 -4.958 -4.946 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.379 -5.747 -5.397 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.893 -6.591 -4.664 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.842 -5.475 -6.612 1.00 0.00 N ATOM 0 H ASN A 60 -11.714 -3.392 -2.684 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.785 -5.397 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.105 -4.031 -5.516 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -9.262 -5.527 -5.167 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -12.656 -5.974 -6.971 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -11.384 -4.767 -7.186 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.693 -4.616 -1.553 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.400 -4.618 -0.881 1.00 0.00 C ATOM 1270 C ILE A 61 -7.138 -5.956 -0.197 1.00 0.00 C ATOM 1271 O ILE A 61 -7.608 -6.199 0.915 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.307 -3.491 0.167 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.735 -2.157 -0.447 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.893 -3.397 0.721 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.650 -0.992 0.516 1.00 0.00 C ATOM 0 H ILE A 61 -9.495 -4.601 -0.923 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.645 -4.451 -1.649 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.983 -3.724 0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.108 -1.948 -1.314 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.760 -2.245 -0.808 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.844 -2.597 1.459 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.623 -4.342 1.192 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.197 -3.185 -0.091 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.968 -0.079 0.012 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.299 -1.179 1.372 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.622 -0.877 0.859 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.387 -6.822 -0.870 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.063 -8.137 -0.327 1.00 0.00 C ATOM 1289 C GLN A 62 -5.013 -8.028 0.773 1.00 0.00 C ATOM 1290 O GLN A 62 -4.709 -6.934 1.249 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.562 -9.061 -1.439 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.404 -9.004 -2.703 1.00 0.00 C ATOM 1293 CD GLN A 62 -6.214 -10.223 -3.585 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -5.587 -10.148 -4.642 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -6.756 -11.356 -3.153 1.00 0.00 N ATOM 0 H GLN A 62 -5.991 -6.637 -1.792 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.971 -8.559 0.104 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.534 -8.795 -1.685 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.546 -10.086 -1.069 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -7.456 -8.917 -2.431 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.146 -8.108 -3.267 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -7.267 -11.373 -2.271 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.661 -12.209 -3.704 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.460 -9.169 1.174 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.443 -9.199 2.218 1.00 0.00 C ATOM 1306 C LYS A 63 -2.079 -8.801 1.663 1.00 0.00 C ATOM 1307 O LYS A 63 -1.791 -9.011 0.484 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.369 -10.592 2.850 1.00 0.00 C ATOM 1309 CG LYS A 63 -2.856 -11.667 1.903 1.00 0.00 C ATOM 1310 CD LYS A 63 -3.976 -12.582 1.435 1.00 0.00 C ATOM 1311 CE LYS A 63 -4.645 -13.288 2.603 1.00 0.00 C ATOM 1312 NZ LYS A 63 -5.132 -14.644 2.226 1.00 0.00 N1+ ATOM 0 H LYS A 63 -4.699 -10.084 0.792 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.724 -8.477 2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.719 -10.551 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.361 -10.874 3.203 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.385 -11.197 1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.088 -12.257 2.403 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.717 -12.000 0.888 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.576 -13.322 0.742 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.939 -13.372 3.429 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.482 -12.687 2.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.582 -15.093 3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.825 -14.562 1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.330 -15.226 1.910 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.245 -8.223 2.521 1.00 0.00 N ATOM 1327 CA GLU A 64 0.091 -7.789 2.122 1.00 0.00 C ATOM 1328 C GLU A 64 0.029 -6.869 0.907 1.00 0.00 C ATOM 1329 O GLU A 64 0.982 -6.785 0.130 1.00 0.00 O ATOM 1330 CB GLU A 64 0.977 -8.999 1.817 1.00 0.00 C ATOM 1331 CG GLU A 64 1.388 -9.778 3.055 1.00 0.00 C ATOM 1332 CD GLU A 64 2.328 -10.925 2.736 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.050 -11.669 1.771 1.00 0.00 O ATOM 1334 OE2 GLU A 64 3.340 -11.079 3.450 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.470 -8.044 3.499 1.00 0.00 H new ATOM 0 HA GLU A 64 0.524 -7.232 2.953 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.446 -9.666 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.873 -8.661 1.296 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.871 -9.103 3.761 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.497 -10.169 3.546 1.00 0.00 H new ATOM 1341 N SER A 65 -1.096 -6.179 0.747 1.00 0.00 N ATOM 1342 CA SER A 65 -1.280 -5.263 -0.372 1.00 0.00 C ATOM 1343 C SER A 65 -0.415 -4.019 -0.199 1.00 0.00 C ATOM 1344 O SER A 65 -0.319 -3.466 0.897 1.00 0.00 O ATOM 1345 CB SER A 65 -2.751 -4.864 -0.498 1.00 0.00 C ATOM 1346 OG SER A 65 -3.535 -5.944 -0.971 1.00 0.00 O ATOM 0 H SER A 65 -1.894 -6.237 1.379 1.00 0.00 H new ATOM 0 HA SER A 65 -0.973 -5.775 -1.284 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.126 -4.536 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.844 -4.018 -1.179 1.00 0.00 H new ATOM 0 HG SER A 65 -4.200 -5.611 -1.609 1.00 0.00 H new ATOM 1352 N THR A 66 0.215 -3.586 -1.285 1.00 0.00 N ATOM 1353 CA THR A 66 1.074 -2.409 -1.248 1.00 0.00 C ATOM 1354 C THR A 66 0.261 -1.132 -1.433 1.00 0.00 C ATOM 1355 O THR A 66 -0.113 -0.778 -2.552 1.00 0.00 O ATOM 1356 CB THR A 66 2.159 -2.504 -2.325 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.912 -3.594 -3.195 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.549 -2.678 -1.752 1.00 0.00 C ATOM 0 H THR A 66 0.147 -4.031 -2.200 1.00 0.00 H new ATOM 0 HA THR A 66 1.551 -2.372 -0.269 1.00 0.00 H new ATOM 0 HB THR A 66 2.118 -1.557 -2.863 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.616 -3.635 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.273 -2.739 -2.565 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.789 -1.827 -1.115 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.588 -3.594 -1.163 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.006 -0.442 -0.329 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.771 0.800 -0.371 1.00 0.00 C ATOM 1368 C LEU A 67 0.160 2.003 -0.472 1.00 0.00 C ATOM 1369 O LEU A 67 1.030 2.200 0.377 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.657 0.923 0.874 1.00 0.00 C ATOM 1371 CG LEU A 67 -2.921 0.062 0.866 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.846 0.459 2.006 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.644 0.170 -0.468 1.00 0.00 C ATOM 0 H LEU A 67 0.295 -0.721 0.605 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.407 0.779 -1.256 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.063 0.659 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.949 1.967 0.990 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.623 -0.977 1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.740 -0.165 1.984 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.331 0.321 2.957 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.131 1.505 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.539 -0.451 -0.448 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.926 1.208 -0.646 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.985 -0.169 -1.267 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.024 2.801 -1.519 1.00 0.00 N ATOM 1386 CA HIS A 68 0.806 3.982 -1.734 1.00 0.00 C ATOM 1387 C HIS A 68 0.432 5.099 -0.765 1.00 0.00 C ATOM 1388 O HIS A 68 -0.671 5.641 -0.823 1.00 0.00 O ATOM 1389 CB HIS A 68 0.663 4.474 -3.176 1.00 0.00 C ATOM 1390 CG HIS A 68 1.946 4.971 -3.768 1.00 0.00 C ATOM 1391 ND1 HIS A 68 2.484 4.465 -4.933 1.00 0.00 N ATOM 1392 CD2 HIS A 68 2.799 5.936 -3.350 1.00 0.00 C ATOM 1393 CE1 HIS A 68 3.612 5.096 -5.205 1.00 0.00 C ATOM 1394 NE2 HIS A 68 3.825 5.993 -4.261 1.00 0.00 N ATOM 0 H HIS A 68 -0.739 2.652 -2.231 1.00 0.00 H new ATOM 0 HA HIS A 68 1.844 3.702 -1.551 1.00 0.00 H new ATOM 0 HB2 HIS A 68 0.279 3.661 -3.792 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -0.076 5.274 -3.207 1.00 0.00 H new ATOM 0 HD2 HIS A 68 2.692 6.547 -2.466 1.00 0.00 H new ATOM 0 HE1 HIS A 68 4.251 4.910 -6.055 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.623 6.627 -4.215 1.00 0.00 H new ATOM 1403 N LEU A 69 1.359 5.440 0.123 1.00 0.00 N ATOM 1404 CA LEU A 69 1.127 6.496 1.102 1.00 0.00 C ATOM 1405 C LEU A 69 1.699 7.823 0.617 1.00 0.00 C ATOM 1406 O LEU A 69 2.702 7.854 -0.097 1.00 0.00 O ATOM 1407 CB LEU A 69 1.754 6.124 2.448 1.00 0.00 C ATOM 1408 CG LEU A 69 1.199 6.880 3.651 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.283 6.028 4.910 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.958 8.173 3.837 1.00 0.00 C ATOM 0 H LEU A 69 2.278 5.001 0.185 1.00 0.00 H new ATOM 0 HA LEU A 69 0.050 6.606 1.228 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.614 5.056 2.614 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.828 6.300 2.392 1.00 0.00 H new ATOM 0 HG LEU A 69 0.149 7.107 3.467 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.882 6.587 5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.704 5.115 4.771 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.324 5.771 5.106 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.558 8.709 4.697 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.013 7.955 4.004 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.852 8.789 2.944 1.00 0.00 H new ATOM 1422 N VAL A 70 1.060 8.917 1.015 1.00 0.00 N ATOM 1423 CA VAL A 70 1.509 10.249 0.625 1.00 0.00 C ATOM 1424 C VAL A 70 1.669 11.149 1.845 1.00 0.00 C ATOM 1425 O VAL A 70 0.707 11.762 2.308 1.00 0.00 O ATOM 1426 CB VAL A 70 0.527 10.908 -0.361 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.098 12.213 -0.893 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.198 9.958 -1.501 1.00 0.00 C ATOM 0 H VAL A 70 0.230 8.908 1.607 1.00 0.00 H new ATOM 0 HA VAL A 70 2.475 10.128 0.134 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.397 11.134 0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.390 12.664 -1.588 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.277 12.897 -0.063 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.037 12.015 -1.410 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.497 10.441 -2.188 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.113 9.698 -2.034 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.258 9.053 -1.100 1.00 0.00 H new ATOM 1438 N LEU A 71 2.892 11.223 2.364 1.00 0.00 N ATOM 1439 CA LEU A 71 3.178 12.047 3.532 1.00 0.00 C ATOM 1440 C LEU A 71 3.148 13.529 3.169 1.00 0.00 C ATOM 1441 O LEU A 71 4.081 14.048 2.556 1.00 0.00 O ATOM 1442 CB LEU A 71 4.544 11.676 4.120 1.00 0.00 C ATOM 1443 CG LEU A 71 4.510 11.142 5.556 1.00 0.00 C ATOM 1444 CD1 LEU A 71 3.724 12.081 6.458 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.913 9.743 5.590 1.00 0.00 C ATOM 0 H LEU A 71 3.700 10.722 1.993 1.00 0.00 H new ATOM 0 HA LEU A 71 2.407 11.860 4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.006 10.924 3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.186 12.556 4.091 1.00 0.00 H new ATOM 0 HG LEU A 71 5.533 11.089 5.927 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.711 11.684 7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.195 13.064 6.458 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.702 12.168 6.090 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.897 9.379 6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.896 9.772 5.199 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.518 9.074 4.978 1.00 0.00 H new ATOM 1457 N ARG A 72 2.069 14.205 3.552 1.00 0.00 N ATOM 1458 CA ARG A 72 1.916 15.628 3.267 1.00 0.00 C ATOM 1459 C ARG A 72 3.055 16.433 3.884 1.00 0.00 C ATOM 1460 O ARG A 72 3.843 15.910 4.672 1.00 0.00 O ATOM 1461 CB ARG A 72 0.573 16.134 3.796 1.00 0.00 C ATOM 1462 CG ARG A 72 0.007 17.300 3.001 1.00 0.00 C ATOM 1463 CD ARG A 72 -1.508 17.354 3.096 1.00 0.00 C ATOM 1464 NE ARG A 72 -2.066 18.456 2.315 1.00 0.00 N ATOM 1465 CZ ARG A 72 -3.332 18.859 2.401 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -4.173 18.255 3.230 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -3.756 19.869 1.655 1.00 0.00 N ATOM 0 H ARG A 72 1.288 13.791 4.060 1.00 0.00 H new ATOM 0 HA ARG A 72 1.946 15.761 2.186 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.145 15.314 3.784 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.693 16.438 4.836 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.430 18.234 3.372 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.304 17.208 1.956 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.927 16.411 2.744 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.802 17.464 4.140 1.00 0.00 H new ATOM 0 HE ARG A 72 -1.449 18.945 1.666 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -3.851 17.477 3.806 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.142 18.568 3.291 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -3.113 20.336 1.016 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -4.726 20.179 1.720 1.00 0.00 H new