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= -1.93 K(o=-2.5,f=0.48) USER MOD Set 1.2: A 29 LYS NZ :NH3+ -168:sc= -0.603 (180deg=0) USER MOD Set 2.1: A 7 THR OG1 : rot 117:sc= -0.604 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.266 USER MOD Single : A 2 GLN : amide:sc= -0.0062 X(o=-0.0062,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0653) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.894 USER MOD Single : A 14 THR OG1 : rot -54:sc= 1.25 USER MOD Single : A 20 SER OG : rot 180:sc= 0.103 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -138:sc= -2.2 (180deg=-8.25!) USER MOD Single : A 31 GLN : amide:sc= -0.548 K(o=-0.55,f=-6.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.614 K(o=-0.61,f=-1.5!) USER MOD Single : A 41 GLN : amide:sc= -5.53! C(o=-5.5!,f=-13!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.0786 X(o=-0.079,f=-0.014) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0458 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot -48:sc= 0.233 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc=-0.000349 X(o=-0.00035,f=-0.00035) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -100:sc= -0.86 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0558 USER MOD Single : A 68 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.085 -8.285 6.972 1.00 0.00 N ATOM 327 CA GLN A 2 -1.837 -7.557 7.169 1.00 0.00 C ATOM 328 C GLN A 2 -1.351 -6.950 5.856 1.00 0.00 C ATOM 329 O GLN A 2 -0.539 -7.547 5.150 1.00 0.00 O ATOM 330 CB GLN A 2 -0.766 -8.484 7.745 1.00 0.00 C ATOM 331 CG GLN A 2 -0.720 -8.492 9.265 1.00 0.00 C ATOM 332 CD GLN A 2 0.631 -8.917 9.805 1.00 0.00 C ATOM 333 OE1 GLN A 2 1.199 -8.259 10.675 1.00 0.00 O ATOM 334 NE2 GLN A 2 1.153 -10.024 9.289 1.00 0.00 N ATOM 0 HA GLN A 2 -2.023 -6.749 7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -0.947 -9.499 7.390 1.00 0.00 H new ATOM 0 HB3 GLN A 2 0.209 -8.181 7.362 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -0.959 -7.496 9.637 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -1.487 -9.167 9.645 1.00 0.00 H new ATOM 0 HE21 GLN A 2 0.647 -10.539 8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.060 -10.359 9.613 1.00 0.00 H new ATOM 343 N ILE A 3 -1.854 -5.762 5.537 1.00 0.00 N ATOM 344 CA ILE A 3 -1.471 -5.077 4.308 1.00 0.00 C ATOM 345 C ILE A 3 -0.212 -4.245 4.517 1.00 0.00 C ATOM 346 O ILE A 3 -0.021 -3.649 5.577 1.00 0.00 O ATOM 347 CB ILE A 3 -2.600 -4.160 3.799 1.00 0.00 C ATOM 348 CG1 ILE A 3 -3.082 -3.237 4.919 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.753 -4.990 3.256 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.583 -1.901 4.430 1.00 0.00 C ATOM 0 H ILE A 3 -2.527 -5.254 6.112 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.277 -5.848 3.562 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.209 -3.544 2.989 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.880 -3.735 5.470 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.264 -3.074 5.621 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.542 -4.328 2.900 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.399 -5.608 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.145 -5.630 4.047 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.908 -1.301 5.280 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.781 -1.382 3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.422 -2.053 3.752 1.00 0.00 H new ATOM 362 N PHE A 4 0.648 -4.210 3.505 1.00 0.00 N ATOM 363 CA PHE A 4 1.888 -3.452 3.591 1.00 0.00 C ATOM 364 C PHE A 4 1.717 -2.049 3.021 1.00 0.00 C ATOM 365 O PHE A 4 1.596 -1.868 1.810 1.00 0.00 O ATOM 366 CB PHE A 4 3.017 -4.189 2.865 1.00 0.00 C ATOM 367 CG PHE A 4 4.057 -4.732 3.802 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.678 -3.896 4.711 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.400 -6.073 3.786 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.625 -4.382 5.592 1.00 0.00 C ATOM 371 CE2 PHE A 4 5.347 -6.569 4.663 1.00 0.00 C ATOM 372 CZ PHE A 4 5.959 -5.722 5.569 1.00 0.00 C ATOM 0 H PHE A 4 0.509 -4.696 2.619 1.00 0.00 H new ATOM 0 HA PHE A 4 2.151 -3.358 4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.594 -5.009 2.285 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.492 -3.509 2.158 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.419 -2.848 4.733 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.923 -6.738 3.082 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.102 -3.716 6.296 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.608 -7.617 4.641 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.697 -6.108 6.257 1.00 0.00 H new ATOM 382 N VAL A 5 1.709 -1.057 3.906 1.00 0.00 N ATOM 383 CA VAL A 5 1.556 0.333 3.496 1.00 0.00 C ATOM 384 C VAL A 5 2.896 0.924 3.074 1.00 0.00 C ATOM 385 O VAL A 5 3.743 1.228 3.915 1.00 0.00 O ATOM 386 CB VAL A 5 0.958 1.194 4.627 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.666 2.601 4.131 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.299 0.545 5.185 1.00 0.00 C ATOM 0 H VAL A 5 1.807 -1.191 4.912 1.00 0.00 H new ATOM 0 HA VAL A 5 0.871 0.342 2.648 1.00 0.00 H new ATOM 0 HB VAL A 5 1.690 1.263 5.431 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.245 3.193 4.943 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.590 3.064 3.786 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.047 2.556 3.307 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.707 1.167 5.982 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.039 0.442 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.054 -0.440 5.583 1.00 0.00 H new ATOM 398 N LYS A 6 3.080 1.083 1.767 1.00 0.00 N ATOM 399 CA LYS A 6 4.319 1.637 1.231 1.00 0.00 C ATOM 400 C LYS A 6 4.200 3.144 1.032 1.00 0.00 C ATOM 401 O LYS A 6 3.246 3.625 0.422 1.00 0.00 O ATOM 402 CB LYS A 6 4.669 0.963 -0.098 1.00 0.00 C ATOM 403 CG LYS A 6 6.148 1.030 -0.442 1.00 0.00 C ATOM 404 CD LYS A 6 6.513 0.033 -1.529 1.00 0.00 C ATOM 405 CE LYS A 6 7.529 0.613 -2.500 1.00 0.00 C ATOM 406 NZ LYS A 6 8.498 -0.415 -2.971 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.388 0.836 1.060 1.00 0.00 H new ATOM 0 HA LYS A 6 5.115 1.445 1.951 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.360 -0.082 -0.059 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.097 1.434 -0.897 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.401 2.038 -0.772 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.740 0.829 0.451 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.918 -0.871 -1.074 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.615 -0.259 -2.073 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.009 1.041 -3.357 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.070 1.427 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.173 0.021 -3.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.013 -0.806 -2.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.985 -1.179 -3.455 1.00 0.00 H new ATOM 420 N THR A 7 5.174 3.883 1.551 1.00 0.00 N ATOM 421 CA THR A 7 5.177 5.337 1.430 1.00 0.00 C ATOM 422 C THR A 7 5.978 5.779 0.209 1.00 0.00 C ATOM 423 O THR A 7 6.713 4.989 -0.383 1.00 0.00 O ATOM 424 CB THR A 7 5.758 5.974 2.693 1.00 0.00 C ATOM 425 OG1 THR A 7 7.160 5.781 2.753 1.00 0.00 O ATOM 426 CG2 THR A 7 5.163 5.418 3.970 1.00 0.00 C ATOM 0 H THR A 7 5.971 3.500 2.059 1.00 0.00 H new ATOM 0 HA THR A 7 4.146 5.668 1.306 1.00 0.00 H new ATOM 0 HB THR A 7 5.508 7.033 2.624 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.612 6.650 2.717 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.618 5.912 4.829 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.087 5.595 3.977 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.355 4.346 4.024 1.00 0.00 H new ATOM 434 N LEU A 8 5.832 7.047 -0.161 1.00 0.00 N ATOM 435 CA LEU A 8 6.542 7.595 -1.311 1.00 0.00 C ATOM 436 C LEU A 8 8.051 7.468 -1.128 1.00 0.00 C ATOM 437 O LEU A 8 8.764 7.042 -2.037 1.00 0.00 O ATOM 438 CB LEU A 8 6.158 9.065 -1.522 1.00 0.00 C ATOM 439 CG LEU A 8 5.225 9.341 -2.701 1.00 0.00 C ATOM 440 CD1 LEU A 8 6.017 9.390 -3.983 1.00 0.00 C ATOM 441 CD2 LEU A 8 4.140 8.285 -2.812 1.00 0.00 C ATOM 0 H LEU A 8 5.228 7.715 0.319 1.00 0.00 H new ATOM 0 HA LEU A 8 6.254 7.024 -2.193 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.683 9.432 -0.612 1.00 0.00 H new ATOM 0 HB3 LEU A 8 7.071 9.644 -1.661 1.00 0.00 H new ATOM 0 HG LEU A 8 4.745 10.304 -2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.345 9.587 -4.818 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.761 10.184 -3.921 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.518 8.434 -4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 8 3.496 8.513 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.598 7.307 -2.957 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.546 8.276 -1.898 1.00 0.00 H new ATOM 453 N THR A 9 8.533 7.839 0.054 1.00 0.00 N ATOM 454 CA THR A 9 9.957 7.764 0.356 1.00 0.00 C ATOM 455 C THR A 9 10.461 6.329 0.245 1.00 0.00 C ATOM 456 O THR A 9 11.623 6.093 -0.089 1.00 0.00 O ATOM 457 CB THR A 9 10.231 8.305 1.760 1.00 0.00 C ATOM 458 OG1 THR A 9 9.519 7.561 2.732 1.00 0.00 O ATOM 459 CG2 THR A 9 9.850 9.760 1.926 1.00 0.00 C ATOM 0 H THR A 9 7.958 8.194 0.818 1.00 0.00 H new ATOM 0 HA THR A 9 10.490 8.375 -0.372 1.00 0.00 H new ATOM 0 HB THR A 9 11.308 8.210 1.901 1.00 0.00 H new ATOM 0 HG1 THR A 9 9.709 7.921 3.623 1.00 0.00 H new ATOM 0 HG21 THR A 9 10.070 10.080 2.944 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.420 10.368 1.223 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.785 9.882 1.730 1.00 0.00 H new ATOM 467 N GLY A 10 9.580 5.374 0.524 1.00 0.00 N ATOM 468 CA GLY A 10 9.954 3.974 0.449 1.00 0.00 C ATOM 469 C GLY A 10 9.861 3.276 1.791 1.00 0.00 C ATOM 470 O GLY A 10 10.838 2.695 2.264 1.00 0.00 O ATOM 0 H GLY A 10 8.613 5.545 0.801 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.307 3.466 -0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 10 10.973 3.893 0.071 1.00 0.00 H new ATOM 474 N LYS A 11 8.685 3.332 2.407 1.00 0.00 N ATOM 475 CA LYS A 11 8.470 2.699 3.703 1.00 0.00 C ATOM 476 C LYS A 11 7.245 1.790 3.670 1.00 0.00 C ATOM 477 O LYS A 11 6.110 2.258 3.749 1.00 0.00 O ATOM 478 CB LYS A 11 8.303 3.762 4.794 1.00 0.00 C ATOM 479 CG LYS A 11 7.986 3.183 6.166 1.00 0.00 C ATOM 480 CD LYS A 11 9.116 3.402 7.150 1.00 0.00 C ATOM 481 CE LYS A 11 9.720 2.086 7.614 1.00 0.00 C ATOM 482 NZ LYS A 11 10.605 1.484 6.578 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.866 3.809 2.030 1.00 0.00 H new ATOM 0 HA LYS A 11 9.345 2.090 3.930 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.218 4.350 4.860 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.505 4.446 4.504 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.076 3.642 6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.789 2.115 6.072 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.889 4.014 6.686 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.746 3.957 8.012 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.291 2.251 8.528 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.921 1.387 7.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 11.114 0.673 6.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.029 1.163 5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.290 2.195 6.251 1.00 0.00 H new ATOM 496 N THR A 12 7.487 0.488 3.560 1.00 0.00 N ATOM 497 CA THR A 12 6.410 -0.492 3.525 1.00 0.00 C ATOM 498 C THR A 12 6.273 -1.184 4.877 1.00 0.00 C ATOM 499 O THR A 12 7.107 -2.010 5.246 1.00 0.00 O ATOM 500 CB THR A 12 6.672 -1.529 2.430 1.00 0.00 C ATOM 501 OG1 THR A 12 7.559 -1.014 1.454 1.00 0.00 O ATOM 502 CG2 THR A 12 5.415 -1.978 1.717 1.00 0.00 C ATOM 0 H THR A 12 8.423 0.087 3.493 1.00 0.00 H new ATOM 0 HA THR A 12 5.478 0.028 3.303 1.00 0.00 H new ATOM 0 HB THR A 12 7.105 -2.388 2.943 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.715 -1.692 0.764 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.672 -2.713 0.954 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.729 -2.427 2.436 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.937 -1.119 1.247 1.00 0.00 H new ATOM 510 N ILE A 13 5.222 -0.839 5.616 1.00 0.00 N ATOM 511 CA ILE A 13 4.996 -1.430 6.931 1.00 0.00 C ATOM 512 C ILE A 13 3.759 -2.322 6.952 1.00 0.00 C ATOM 513 O ILE A 13 2.720 -1.978 6.386 1.00 0.00 O ATOM 514 CB ILE A 13 4.842 -0.353 8.019 1.00 0.00 C ATOM 515 CG1 ILE A 13 6.113 0.464 8.150 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.509 -0.998 9.341 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.301 -0.362 8.547 1.00 0.00 C ATOM 0 H ILE A 13 4.518 -0.158 5.329 1.00 0.00 H new ATOM 0 HA ILE A 13 5.877 -2.036 7.141 1.00 0.00 H new ATOM 0 HB ILE A 13 4.030 0.314 7.729 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.321 0.957 7.201 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.959 1.249 8.890 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.402 -0.228 10.105 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.575 -1.552 9.251 1.00 0.00 H new ATOM 0 HG23 ILE A 13 5.310 -1.681 9.624 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.180 0.278 8.625 1.00 0.00 H new ATOM 0 HD12 ILE A 13 7.110 -0.834 9.511 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.477 -1.131 7.795 1.00 0.00 H new ATOM 529 N THR A 14 3.876 -3.464 7.624 1.00 0.00 N ATOM 530 CA THR A 14 2.766 -4.400 7.736 1.00 0.00 C ATOM 531 C THR A 14 1.733 -3.869 8.718 1.00 0.00 C ATOM 532 O THR A 14 1.983 -3.793 9.921 1.00 0.00 O ATOM 533 CB THR A 14 3.261 -5.774 8.193 1.00 0.00 C ATOM 534 OG1 THR A 14 4.645 -5.922 7.936 1.00 0.00 O ATOM 535 CG2 THR A 14 2.541 -6.922 7.517 1.00 0.00 C ATOM 0 H THR A 14 4.729 -3.762 8.098 1.00 0.00 H new ATOM 0 HA THR A 14 2.306 -4.506 6.754 1.00 0.00 H new ATOM 0 HB THR A 14 3.055 -5.815 9.262 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.825 -5.730 6.992 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.939 -7.868 7.885 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.476 -6.865 7.740 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.690 -6.860 6.439 1.00 0.00 H new ATOM 543 N LEU A 15 0.575 -3.489 8.195 1.00 0.00 N ATOM 544 CA LEU A 15 -0.492 -2.950 9.021 1.00 0.00 C ATOM 545 C LEU A 15 -1.787 -3.731 8.813 1.00 0.00 C ATOM 546 O LEU A 15 -2.246 -3.907 7.684 1.00 0.00 O ATOM 547 CB LEU A 15 -0.694 -1.469 8.694 1.00 0.00 C ATOM 548 CG LEU A 15 -1.391 -0.644 9.774 1.00 0.00 C ATOM 549 CD1 LEU A 15 -2.725 -1.265 10.145 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.502 -0.510 11.002 1.00 0.00 C ATOM 0 H LEU A 15 0.352 -3.545 7.201 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.211 -3.047 10.070 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.280 -1.023 8.494 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.274 -1.394 7.774 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.578 0.353 9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.205 -0.662 10.916 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.365 -1.305 9.264 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.564 -2.275 10.522 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.016 0.081 11.760 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.281 -1.500 11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.429 -0.015 10.725 1.00 0.00 H new ATOM 562 N GLU A 16 -2.366 -4.202 9.913 1.00 0.00 N ATOM 563 CA GLU A 16 -3.603 -4.971 9.861 1.00 0.00 C ATOM 564 C GLU A 16 -4.817 -4.049 9.835 1.00 0.00 C ATOM 565 O GLU A 16 -4.933 -3.134 10.650 1.00 0.00 O ATOM 566 CB GLU A 16 -3.691 -5.915 11.061 1.00 0.00 C ATOM 567 CG GLU A 16 -4.852 -6.884 10.989 1.00 0.00 C ATOM 568 CD GLU A 16 -4.618 -8.010 10.000 1.00 0.00 C ATOM 569 OE1 GLU A 16 -3.469 -8.162 9.533 1.00 0.00 O ATOM 570 OE2 GLU A 16 -5.583 -8.740 9.693 1.00 0.00 O1- ATOM 0 H GLU A 16 -1.996 -4.064 10.854 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.597 -5.559 8.943 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -2.762 -6.480 11.137 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -3.779 -5.323 11.972 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -5.029 -7.306 11.978 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -5.755 -6.342 10.708 1.00 0.00 H new ATOM 577 N VAL A 17 -5.722 -4.301 8.896 1.00 0.00 N ATOM 578 CA VAL A 17 -6.931 -3.498 8.763 1.00 0.00 C ATOM 579 C VAL A 17 -8.080 -4.324 8.197 1.00 0.00 C ATOM 580 O VAL A 17 -7.982 -4.869 7.096 1.00 0.00 O ATOM 581 CB VAL A 17 -6.697 -2.276 7.855 1.00 0.00 C ATOM 582 CG1 VAL A 17 -5.903 -1.207 8.590 1.00 0.00 C ATOM 583 CG2 VAL A 17 -5.989 -2.690 6.573 1.00 0.00 C ATOM 0 H VAL A 17 -5.641 -5.056 8.215 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.193 -3.153 9.763 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.666 -1.855 7.588 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -5.748 -0.352 7.932 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.454 -0.889 9.475 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -4.937 -1.613 8.891 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.832 -1.813 5.944 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.026 -3.138 6.818 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.601 -3.416 6.037 1.00 0.00 H new ATOM 593 N GLU A 18 -9.167 -4.415 8.955 1.00 0.00 N ATOM 594 CA GLU A 18 -10.335 -5.176 8.528 1.00 0.00 C ATOM 595 C GLU A 18 -10.898 -4.619 7.222 1.00 0.00 C ATOM 596 O GLU A 18 -10.926 -3.405 7.019 1.00 0.00 O ATOM 597 CB GLU A 18 -11.412 -5.149 9.613 1.00 0.00 C ATOM 598 CG GLU A 18 -11.000 -5.850 10.898 1.00 0.00 C ATOM 599 CD GLU A 18 -12.134 -6.641 11.520 1.00 0.00 C ATOM 600 OE1 GLU A 18 -12.941 -6.039 12.260 1.00 0.00 O ATOM 601 OE2 GLU A 18 -12.215 -7.861 11.268 1.00 0.00 O1- ATOM 0 H GLU A 18 -9.264 -3.971 9.868 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.025 -6.207 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.662 -4.112 9.839 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.317 -5.619 9.227 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.166 -6.520 10.691 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.644 -5.109 11.614 1.00 0.00 H new ATOM 608 N PRO A 19 -11.357 -5.500 6.313 1.00 0.00 N ATOM 609 CA PRO A 19 -11.918 -5.080 5.025 1.00 0.00 C ATOM 610 C PRO A 19 -13.064 -4.087 5.189 1.00 0.00 C ATOM 611 O PRO A 19 -13.238 -3.184 4.372 1.00 0.00 O ATOM 612 CB PRO A 19 -12.429 -6.386 4.410 1.00 0.00 C ATOM 613 CG PRO A 19 -11.639 -7.458 5.075 1.00 0.00 C ATOM 614 CD PRO A 19 -11.363 -6.966 6.469 1.00 0.00 C ATOM 0 HA PRO A 19 -11.179 -4.566 4.410 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.497 -6.515 4.587 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.281 -6.398 3.330 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.194 -8.396 5.095 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.710 -7.649 4.537 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -12.130 -7.293 7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.409 -7.335 6.845 1.00 0.00 H new ATOM 622 N SER A 20 -13.844 -4.263 6.252 1.00 0.00 N ATOM 623 CA SER A 20 -14.975 -3.384 6.523 1.00 0.00 C ATOM 624 C SER A 20 -14.502 -2.028 7.040 1.00 0.00 C ATOM 625 O SER A 20 -15.131 -1.001 6.783 1.00 0.00 O ATOM 626 CB SER A 20 -15.916 -4.029 7.541 1.00 0.00 C ATOM 627 OG SER A 20 -15.213 -4.909 8.401 1.00 0.00 O ATOM 0 H SER A 20 -13.713 -5.006 6.939 1.00 0.00 H new ATOM 0 HA SER A 20 -15.512 -3.228 5.588 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.405 -3.254 8.130 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.701 -4.576 7.019 1.00 0.00 H new ATOM 0 HG SER A 20 -15.837 -5.307 9.043 1.00 0.00 H new ATOM 633 N ASP A 21 -13.391 -2.034 7.770 1.00 0.00 N ATOM 634 CA ASP A 21 -12.835 -0.803 8.322 1.00 0.00 C ATOM 635 C ASP A 21 -12.499 0.189 7.214 1.00 0.00 C ATOM 636 O ASP A 21 -11.945 -0.184 6.179 1.00 0.00 O ATOM 637 CB ASP A 21 -11.582 -1.111 9.145 1.00 0.00 C ATOM 638 CG ASP A 21 -11.895 -1.346 10.609 1.00 0.00 C ATOM 639 OD1 ASP A 21 -12.957 -0.879 11.072 1.00 0.00 O1- ATOM 640 OD2 ASP A 21 -11.078 -1.997 11.294 1.00 0.00 O ATOM 0 H ASP A 21 -12.859 -2.875 7.993 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.587 -0.353 8.970 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.090 -1.993 8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.879 -0.283 9.055 1.00 0.00 H new ATOM 645 N THR A 22 -12.838 1.454 7.437 1.00 0.00 N ATOM 646 CA THR A 22 -12.574 2.501 6.456 1.00 0.00 C ATOM 647 C THR A 22 -11.111 2.931 6.502 1.00 0.00 C ATOM 648 O THR A 22 -10.307 2.355 7.236 1.00 0.00 O ATOM 649 CB THR A 22 -13.479 3.707 6.710 1.00 0.00 C ATOM 650 OG1 THR A 22 -13.055 4.420 7.857 1.00 0.00 O ATOM 651 CG2 THR A 22 -14.932 3.333 6.913 1.00 0.00 C ATOM 0 H THR A 22 -13.296 1.780 8.288 1.00 0.00 H new ATOM 0 HA THR A 22 -12.786 2.099 5.465 1.00 0.00 H new ATOM 0 HB THR A 22 -13.400 4.321 5.813 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.646 5.189 8.001 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.519 4.235 7.088 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.305 2.825 6.024 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.020 2.670 7.773 1.00 0.00 H new ATOM 659 N ILE A 23 -10.772 3.946 5.713 1.00 0.00 N ATOM 660 CA ILE A 23 -9.405 4.450 5.665 1.00 0.00 C ATOM 661 C ILE A 23 -8.999 5.062 7.002 1.00 0.00 C ATOM 662 O ILE A 23 -7.846 4.956 7.419 1.00 0.00 O ATOM 663 CB ILE A 23 -9.230 5.505 4.556 1.00 0.00 C ATOM 664 CG1 ILE A 23 -9.758 4.969 3.224 1.00 0.00 C ATOM 665 CG2 ILE A 23 -7.767 5.906 4.429 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.110 3.669 2.795 1.00 0.00 C ATOM 0 H ILE A 23 -11.424 4.434 5.099 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.762 3.597 5.447 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.806 6.390 4.825 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -10.835 4.820 3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -9.596 5.719 2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -7.661 6.652 3.641 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.421 6.325 5.374 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.170 5.029 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.533 3.348 1.843 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.036 3.817 2.683 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.294 2.904 3.550 1.00 0.00 H new ATOM 678 N GLU A 24 -9.953 5.704 7.669 1.00 0.00 N ATOM 679 CA GLU A 24 -9.693 6.334 8.958 1.00 0.00 C ATOM 680 C GLU A 24 -9.167 5.317 9.966 1.00 0.00 C ATOM 681 O GLU A 24 -8.245 5.607 10.728 1.00 0.00 O ATOM 682 CB GLU A 24 -10.964 6.994 9.495 1.00 0.00 C ATOM 683 CG GLU A 24 -10.743 7.790 10.771 1.00 0.00 C ATOM 684 CD GLU A 24 -10.688 9.285 10.522 1.00 0.00 C ATOM 685 OE1 GLU A 24 -10.208 9.690 9.442 1.00 0.00 O1- ATOM 686 OE2 GLU A 24 -11.123 10.051 11.408 1.00 0.00 O ATOM 0 H GLU A 24 -10.913 5.801 7.338 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.931 7.099 8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -11.371 7.655 8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.712 6.224 9.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.546 7.572 11.475 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.813 7.469 11.239 1.00 0.00 H new ATOM 693 N ASN A 25 -9.753 4.123 9.963 1.00 0.00 N ATOM 694 CA ASN A 25 -9.335 3.063 10.875 1.00 0.00 C ATOM 695 C ASN A 25 -7.907 2.625 10.563 1.00 0.00 C ATOM 696 O ASN A 25 -7.157 2.218 11.452 1.00 0.00 O ATOM 697 CB ASN A 25 -10.284 1.868 10.772 1.00 0.00 C ATOM 698 CG ASN A 25 -10.386 1.099 12.075 1.00 0.00 C ATOM 699 OD1 ASN A 25 -11.208 1.417 12.935 1.00 0.00 O ATOM 700 ND2 ASN A 25 -9.551 0.077 12.226 1.00 0.00 N ATOM 0 H ASN A 25 -10.518 3.865 9.340 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.368 3.451 11.893 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.274 2.218 10.481 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.938 1.199 9.984 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.575 -0.479 13.081 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -8.886 -0.151 11.487 1.00 0.00 H new ATOM 707 N VAL A 26 -7.540 2.724 9.293 1.00 0.00 N ATOM 708 CA VAL A 26 -6.205 2.353 8.846 1.00 0.00 C ATOM 709 C VAL A 26 -5.218 3.445 9.210 1.00 0.00 C ATOM 710 O VAL A 26 -4.256 3.205 9.938 1.00 0.00 O ATOM 711 CB VAL A 26 -6.179 2.102 7.330 1.00 0.00 C ATOM 712 CG1 VAL A 26 -4.963 1.274 6.939 1.00 0.00 C ATOM 713 CG2 VAL A 26 -7.467 1.417 6.903 1.00 0.00 C ATOM 0 H VAL A 26 -8.153 3.060 8.550 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.921 1.428 9.347 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.104 3.059 6.814 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.966 1.109 5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.055 1.806 7.222 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.996 0.313 7.453 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -7.446 1.240 5.828 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.563 0.465 7.425 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.317 2.054 7.149 1.00 0.00 H new ATOM 723 N LYS A 27 -5.490 4.663 8.746 1.00 0.00 N ATOM 724 CA LYS A 27 -4.642 5.796 9.087 1.00 0.00 C ATOM 725 C LYS A 27 -4.577 5.905 10.603 1.00 0.00 C ATOM 726 O LYS A 27 -3.616 6.421 11.171 1.00 0.00 O ATOM 727 CB LYS A 27 -5.196 7.089 8.484 1.00 0.00 C ATOM 728 CG LYS A 27 -5.143 7.126 6.964 1.00 0.00 C ATOM 729 CD LYS A 27 -3.799 6.645 6.442 1.00 0.00 C ATOM 730 CE LYS A 27 -3.708 6.781 4.931 1.00 0.00 C ATOM 731 NZ LYS A 27 -3.433 8.184 4.512 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.280 4.886 8.141 1.00 0.00 H new ATOM 0 HA LYS A 27 -3.643 5.643 8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.230 7.216 8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.633 7.934 8.879 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -5.938 6.502 6.556 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.327 8.143 6.617 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -2.999 7.220 6.909 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.649 5.603 6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -2.919 6.129 4.555 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.641 6.444 4.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.021 8.422 3.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.657 8.830 5.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -2.429 8.281 4.260 1.00 0.00 H new ATOM 745 N ALA A 28 -5.618 5.374 11.244 1.00 0.00 N ATOM 746 CA ALA A 28 -5.720 5.352 12.688 1.00 0.00 C ATOM 747 C ALA A 28 -4.610 4.491 13.274 1.00 0.00 C ATOM 748 O ALA A 28 -3.759 4.973 14.023 1.00 0.00 O ATOM 749 CB ALA A 28 -7.083 4.802 13.080 1.00 0.00 C ATOM 0 H ALA A 28 -6.413 4.948 10.767 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.613 6.363 13.081 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.168 4.782 14.166 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -7.865 5.439 12.666 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.194 3.791 12.689 1.00 0.00 H new ATOM 755 N LYS A 29 -4.618 3.211 12.910 1.00 0.00 N ATOM 756 CA LYS A 29 -3.603 2.280 13.381 1.00 0.00 C ATOM 757 C LYS A 29 -2.222 2.743 12.934 1.00 0.00 C ATOM 758 O LYS A 29 -1.266 2.726 13.711 1.00 0.00 O ATOM 759 CB LYS A 29 -3.882 0.874 12.847 1.00 0.00 C ATOM 760 CG LYS A 29 -5.198 0.288 13.332 1.00 0.00 C ATOM 761 CD LYS A 29 -5.314 -1.188 12.985 1.00 0.00 C ATOM 762 CE LYS A 29 -6.710 -1.538 12.495 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.669 -1.699 13.622 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.316 2.798 12.291 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.633 2.253 14.470 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.887 0.903 11.757 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.068 0.213 13.145 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.278 0.416 14.411 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.028 0.834 12.883 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.584 -1.440 12.216 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.074 -1.789 13.862 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.066 -0.756 11.824 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -6.671 -2.461 11.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.548 -2.131 13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.249 -2.311 14.351 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.881 -0.767 14.033 1.00 0.00 H new ATOM 777 N ILE A 30 -2.129 3.173 11.678 1.00 0.00 N ATOM 778 CA ILE A 30 -0.871 3.661 11.130 1.00 0.00 C ATOM 779 C ILE A 30 -0.409 4.901 11.887 1.00 0.00 C ATOM 780 O ILE A 30 0.789 5.166 11.998 1.00 0.00 O ATOM 781 CB ILE A 30 -1.000 3.995 9.626 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.390 2.743 8.837 1.00 0.00 C ATOM 783 CG2 ILE A 30 0.303 4.574 9.091 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.613 3.001 7.364 1.00 0.00 C ATOM 0 H ILE A 30 -2.910 3.193 11.023 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.134 2.866 11.244 1.00 0.00 H new ATOM 0 HB ILE A 30 -1.783 4.743 9.505 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -0.607 1.993 8.952 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.300 2.322 9.265 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.192 4.802 8.031 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.546 5.487 9.635 1.00 0.00 H new ATOM 0 HG23 ILE A 30 1.105 3.848 9.223 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.886 2.069 6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.416 3.727 7.239 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.698 3.393 6.921 1.00 0.00 H new ATOM 796 N GLN A 31 -1.371 5.655 12.413 1.00 0.00 N ATOM 797 CA GLN A 31 -1.073 6.864 13.167 1.00 0.00 C ATOM 798 C GLN A 31 -0.483 6.514 14.529 1.00 0.00 C ATOM 799 O GLN A 31 0.445 7.169 15.002 1.00 0.00 O ATOM 800 CB GLN A 31 -2.341 7.706 13.341 1.00 0.00 C ATOM 801 CG GLN A 31 -2.146 8.932 14.220 1.00 0.00 C ATOM 802 CD GLN A 31 -2.704 8.741 15.618 1.00 0.00 C ATOM 803 OE1 GLN A 31 -2.314 7.818 16.332 1.00 0.00 O ATOM 804 NE2 GLN A 31 -3.620 9.616 16.014 1.00 0.00 N ATOM 0 H GLN A 31 -2.366 5.447 12.329 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.338 7.445 12.610 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.691 8.026 12.360 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.124 7.082 13.772 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.083 9.162 14.285 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.630 9.790 13.753 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.913 10.366 15.388 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -4.031 9.539 16.945 1.00 0.00 H new ATOM 813 N ASP A 32 -1.027 5.474 15.151 1.00 0.00 N ATOM 814 CA ASP A 32 -0.554 5.034 16.459 1.00 0.00 C ATOM 815 C ASP A 32 0.663 4.118 16.329 1.00 0.00 C ATOM 816 O ASP A 32 1.345 3.839 17.315 1.00 0.00 O ATOM 817 CB ASP A 32 -1.671 4.309 17.210 1.00 0.00 C ATOM 818 CG ASP A 32 -1.652 4.599 18.697 1.00 0.00 C ATOM 819 OD1 ASP A 32 -1.614 5.791 19.070 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -1.673 3.634 19.491 1.00 0.00 O ATOM 0 H ASP A 32 -1.795 4.920 14.771 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.257 5.919 17.021 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.635 4.607 16.797 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.574 3.235 17.051 1.00 0.00 H new ATOM 825 N LYS A 33 0.930 3.650 15.111 1.00 0.00 N ATOM 826 CA LYS A 33 2.064 2.763 14.867 1.00 0.00 C ATOM 827 C LYS A 33 3.265 3.536 14.326 1.00 0.00 C ATOM 828 O LYS A 33 4.411 3.138 14.534 1.00 0.00 O ATOM 829 CB LYS A 33 1.669 1.659 13.883 1.00 0.00 C ATOM 830 CG LYS A 33 1.313 0.343 14.556 1.00 0.00 C ATOM 831 CD LYS A 33 1.836 -0.845 13.772 1.00 0.00 C ATOM 832 CE LYS A 33 3.131 -1.379 14.362 1.00 0.00 C ATOM 833 NZ LYS A 33 2.882 -2.407 15.410 1.00 0.00 N1+ ATOM 0 H LYS A 33 0.379 3.870 14.281 1.00 0.00 H new ATOM 0 HA LYS A 33 2.349 2.313 15.818 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.818 1.998 13.293 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.492 1.491 13.188 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.728 0.325 15.564 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.230 0.266 14.655 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.086 -1.636 13.765 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.001 -0.553 12.735 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.741 -1.810 13.568 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.702 -0.555 14.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.790 -2.746 15.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 2.322 -1.989 16.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 2.360 -3.205 14.996 1.00 0.00 H new ATOM 847 N GLU A 34 2.998 4.634 13.626 1.00 0.00 N ATOM 848 CA GLU A 34 4.065 5.449 13.052 1.00 0.00 C ATOM 849 C GLU A 34 4.052 6.865 13.622 1.00 0.00 C ATOM 850 O GLU A 34 5.106 7.462 13.842 1.00 0.00 O ATOM 851 CB GLU A 34 3.929 5.500 11.530 1.00 0.00 C ATOM 852 CG GLU A 34 4.617 4.346 10.818 1.00 0.00 C ATOM 853 CD GLU A 34 5.361 4.788 9.574 1.00 0.00 C ATOM 854 OE1 GLU A 34 6.452 5.380 9.713 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 4.852 4.545 8.459 1.00 0.00 O ATOM 0 H GLU A 34 2.056 4.980 13.443 1.00 0.00 H new ATOM 0 HA GLU A 34 5.016 4.986 13.315 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.871 5.499 11.268 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.346 6.440 11.168 1.00 0.00 H new ATOM 0 HG2 GLU A 34 5.316 3.866 11.503 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.873 3.597 10.545 1.00 0.00 H new ATOM 862 N GLY A 35 2.858 7.400 13.853 1.00 0.00 N ATOM 863 CA GLY A 35 2.741 8.743 14.390 1.00 0.00 C ATOM 864 C GLY A 35 2.403 9.762 13.319 1.00 0.00 C ATOM 865 O GLY A 35 2.801 10.923 13.409 1.00 0.00 O ATOM 0 H GLY A 35 1.971 6.929 13.678 1.00 0.00 H new ATOM 0 HA2 GLY A 35 1.970 8.758 15.160 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.678 9.022 14.872 1.00 0.00 H new ATOM 869 N ILE A 36 1.668 9.324 12.302 1.00 0.00 N ATOM 870 CA ILE A 36 1.276 10.202 11.206 1.00 0.00 C ATOM 871 C ILE A 36 -0.243 10.354 11.136 1.00 0.00 C ATOM 872 O ILE A 36 -0.946 9.429 10.731 1.00 0.00 O ATOM 873 CB ILE A 36 1.787 9.667 9.854 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.274 9.321 9.948 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.543 10.688 8.752 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.803 8.595 8.730 1.00 0.00 C ATOM 0 H ILE A 36 1.332 8.365 12.214 1.00 0.00 H new ATOM 0 HA ILE A 36 1.727 11.175 11.402 1.00 0.00 H new ATOM 0 HB ILE A 36 1.236 8.759 9.608 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.844 10.239 10.090 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.440 8.703 10.830 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.910 10.295 7.804 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.475 10.889 8.673 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.070 11.612 8.989 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.863 8.381 8.866 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.258 7.660 8.599 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.669 9.220 7.847 1.00 0.00 H new ATOM 888 N PRO A 37 -0.774 11.527 11.530 1.00 0.00 N ATOM 889 CA PRO A 37 -2.217 11.785 11.505 1.00 0.00 C ATOM 890 C PRO A 37 -2.843 11.453 10.152 1.00 0.00 C ATOM 891 O PRO A 37 -2.165 11.470 9.125 1.00 0.00 O ATOM 892 CB PRO A 37 -2.316 13.286 11.788 1.00 0.00 C ATOM 893 CG PRO A 37 -1.082 13.606 12.558 1.00 0.00 C ATOM 894 CD PRO A 37 -0.013 12.690 12.028 1.00 0.00 C ATOM 0 HA PRO A 37 -2.753 11.167 12.225 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.366 13.861 10.863 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.213 13.523 12.360 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.800 14.651 12.427 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.236 13.449 13.625 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.563 13.163 11.233 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.694 12.404 12.807 1.00 0.00 H new ATOM 902 N PRO A 38 -4.151 11.144 10.135 1.00 0.00 N ATOM 903 CA PRO A 38 -4.867 10.804 8.899 1.00 0.00 C ATOM 904 C PRO A 38 -4.736 11.887 7.832 1.00 0.00 C ATOM 905 O PRO A 38 -4.184 11.650 6.759 1.00 0.00 O ATOM 906 CB PRO A 38 -6.324 10.672 9.350 1.00 0.00 C ATOM 907 CG PRO A 38 -6.249 10.373 10.808 1.00 0.00 C ATOM 908 CD PRO A 38 -5.034 11.096 11.315 1.00 0.00 C ATOM 0 HA PRO A 38 -4.468 9.901 8.437 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.880 11.591 9.163 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -6.834 9.875 8.809 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -7.148 10.712 11.323 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.166 9.300 10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.281 12.095 11.674 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.568 10.566 12.145 1.00 0.00 H new ATOM 916 N ASP A 39 -5.252 13.074 8.134 1.00 0.00 N ATOM 917 CA ASP A 39 -5.197 14.192 7.199 1.00 0.00 C ATOM 918 C ASP A 39 -3.755 14.547 6.847 1.00 0.00 C ATOM 919 O ASP A 39 -3.479 15.051 5.759 1.00 0.00 O ATOM 920 CB ASP A 39 -5.904 15.413 7.791 1.00 0.00 C ATOM 921 CG ASP A 39 -7.395 15.196 7.953 1.00 0.00 C ATOM 922 OD1 ASP A 39 -8.088 15.045 6.924 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -7.871 15.177 9.108 1.00 0.00 O ATOM 0 H ASP A 39 -5.713 13.286 9.019 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.707 13.889 6.285 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.466 15.648 8.761 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -5.733 16.276 7.147 1.00 0.00 H new ATOM 928 N GLN A 40 -2.840 14.286 7.775 1.00 0.00 N ATOM 929 CA GLN A 40 -1.429 14.583 7.561 1.00 0.00 C ATOM 930 C GLN A 40 -0.881 13.820 6.359 1.00 0.00 C ATOM 931 O GLN A 40 -0.053 14.338 5.608 1.00 0.00 O ATOM 932 CB GLN A 40 -0.618 14.236 8.811 1.00 0.00 C ATOM 933 CG GLN A 40 -0.439 15.406 9.765 1.00 0.00 C ATOM 934 CD GLN A 40 0.376 16.532 9.158 1.00 0.00 C ATOM 935 OE1 GLN A 40 -0.138 17.338 8.383 1.00 0.00 O ATOM 936 NE2 GLN A 40 1.655 16.591 9.510 1.00 0.00 N ATOM 0 H GLN A 40 -3.051 13.870 8.682 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.339 15.650 7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -1.111 13.420 9.339 1.00 0.00 H new ATOM 0 HB3 GLN A 40 0.364 13.872 8.508 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.418 15.787 10.056 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.050 15.057 10.674 1.00 0.00 H new ATOM 0 HE21 GLN A 40 2.039 15.901 10.156 1.00 0.00 H new ATOM 0 HE22 GLN A 40 2.254 17.326 9.134 1.00 0.00 H new ATOM 945 N GLN A 41 -1.343 12.586 6.183 1.00 0.00 N ATOM 946 CA GLN A 41 -0.892 11.753 5.073 1.00 0.00 C ATOM 947 C GLN A 41 -2.060 11.341 4.183 1.00 0.00 C ATOM 948 O GLN A 41 -3.218 11.622 4.489 1.00 0.00 O ATOM 949 CB GLN A 41 -0.177 10.510 5.603 1.00 0.00 C ATOM 950 CG GLN A 41 -1.045 9.650 6.508 1.00 0.00 C ATOM 951 CD GLN A 41 -0.232 8.698 7.363 1.00 0.00 C ATOM 952 OE1 GLN A 41 0.969 8.529 7.156 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.886 8.068 8.333 1.00 0.00 N ATOM 0 H GLN A 41 -2.028 12.141 6.794 1.00 0.00 H new ATOM 0 HA GLN A 41 -0.196 12.340 4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.162 9.908 4.760 1.00 0.00 H new ATOM 0 HB3 GLN A 41 0.712 10.819 6.152 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.640 10.295 7.154 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.744 9.078 5.898 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.882 8.238 8.470 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.392 7.415 8.941 1.00 0.00 H new ATOM 962 N ARG A 42 -1.746 10.668 3.080 1.00 0.00 N ATOM 963 CA ARG A 42 -2.766 10.210 2.143 1.00 0.00 C ATOM 964 C ARG A 42 -2.495 8.772 1.712 1.00 0.00 C ATOM 965 O ARG A 42 -1.398 8.252 1.912 1.00 0.00 O ATOM 966 CB ARG A 42 -2.811 11.126 0.917 1.00 0.00 C ATOM 967 CG ARG A 42 -3.861 12.220 1.015 1.00 0.00 C ATOM 968 CD ARG A 42 -3.438 13.317 1.981 1.00 0.00 C ATOM 969 NE ARG A 42 -3.709 14.650 1.449 1.00 0.00 N ATOM 970 CZ ARG A 42 -2.938 15.260 0.552 1.00 0.00 C ATOM 971 NH1 ARG A 42 -1.849 14.663 0.085 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -3.258 16.473 0.121 1.00 0.00 N ATOM 0 H ARG A 42 -0.791 10.427 2.813 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.732 10.245 2.646 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.832 11.585 0.780 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.007 10.523 0.030 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -4.033 12.650 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -4.807 11.789 1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -3.965 13.190 2.927 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -2.373 13.221 2.194 1.00 0.00 H new ATOM 0 HE ARG A 42 -4.537 15.142 1.784 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -1.598 13.730 0.413 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -1.263 15.137 -0.602 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -4.094 16.937 0.477 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -2.668 16.942 -0.566 1.00 0.00 H new ATOM 986 N LEU A 43 -3.501 8.133 1.123 1.00 0.00 N ATOM 987 CA LEU A 43 -3.367 6.754 0.669 1.00 0.00 C ATOM 988 C LEU A 43 -3.988 6.567 -0.712 1.00 0.00 C ATOM 989 O LEU A 43 -5.015 7.169 -1.028 1.00 0.00 O ATOM 990 CB LEU A 43 -4.023 5.799 1.672 1.00 0.00 C ATOM 991 CG LEU A 43 -3.178 4.596 2.084 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.798 5.048 2.497 1.00 0.00 C ATOM 993 CD2 LEU A 43 -3.856 3.828 3.209 1.00 0.00 C ATOM 0 H LEU A 43 -4.417 8.548 0.949 1.00 0.00 H new ATOM 0 HA LEU A 43 -2.304 6.525 0.599 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.282 6.363 2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.957 5.435 1.243 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.080 3.926 1.230 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.204 4.182 2.789 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -1.315 5.554 1.661 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.877 5.735 3.340 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -3.240 2.974 3.490 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.983 4.483 4.071 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.832 3.476 2.873 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.360 5.728 -1.529 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.848 5.456 -2.876 1.00 0.00 C ATOM 1007 C ILE A 44 -3.682 3.982 -3.227 1.00 0.00 C ATOM 1008 O ILE A 44 -2.688 3.353 -2.863 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.110 6.308 -3.926 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.103 7.781 -3.511 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -3.758 6.141 -5.294 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -1.796 8.227 -2.890 1.00 0.00 C ATOM 0 H ILE A 44 -2.509 5.223 -1.281 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.906 5.717 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.078 5.964 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.310 8.398 -4.386 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -3.911 7.954 -2.801 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.226 6.749 -6.025 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.714 5.093 -5.592 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.799 6.461 -5.245 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -1.862 9.281 -2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.597 7.635 -1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -0.986 8.086 -3.606 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.663 3.434 -3.939 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.625 2.033 -4.340 1.00 0.00 C ATOM 1026 C PHE A 45 -5.549 1.779 -5.527 1.00 0.00 C ATOM 1027 O PHE A 45 -6.669 2.287 -5.574 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.025 1.135 -3.168 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.697 -0.316 -3.385 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.380 -0.740 -3.441 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -5.707 -1.253 -3.530 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.075 -2.073 -3.640 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -5.408 -2.588 -3.729 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.091 -2.998 -3.783 1.00 0.00 C ATOM 0 H PHE A 45 -5.493 3.939 -4.249 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.604 1.796 -4.641 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.521 1.482 -2.266 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.096 1.235 -2.993 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.582 -0.021 -3.328 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -6.739 -0.937 -3.487 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.044 -2.391 -3.684 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.204 -3.309 -3.842 1.00 0.00 H new ATOM 0 HZ PHE A 45 -3.855 -4.041 -3.937 1.00 0.00 H new ATOM 1044 N ALA A 46 -5.070 0.991 -6.484 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.852 0.669 -7.672 1.00 0.00 C ATOM 1046 C ALA A 46 -6.278 1.934 -8.410 1.00 0.00 C ATOM 1047 O ALA A 46 -7.397 2.023 -8.916 1.00 0.00 O ATOM 1048 CB ALA A 46 -7.071 -0.159 -7.292 1.00 0.00 C ATOM 0 H ALA A 46 -4.144 0.564 -6.460 1.00 0.00 H new ATOM 0 HA ALA A 46 -5.223 0.084 -8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.646 -0.392 -8.188 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.748 -1.085 -6.817 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.693 0.407 -6.599 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.378 2.910 -8.466 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.681 4.158 -9.142 1.00 0.00 C ATOM 1056 C GLY A 47 -6.867 4.875 -8.531 1.00 0.00 C ATOM 1057 O GLY A 47 -7.557 5.637 -9.209 1.00 0.00 O ATOM 0 H GLY A 47 -4.445 2.859 -8.056 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.808 4.809 -9.104 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.884 3.958 -10.194 1.00 0.00 H new ATOM 1061 N LYS A 48 -7.107 4.632 -7.247 1.00 0.00 N ATOM 1062 CA LYS A 48 -8.220 5.260 -6.543 1.00 0.00 C ATOM 1063 C LYS A 48 -7.734 5.976 -5.288 1.00 0.00 C ATOM 1064 O LYS A 48 -6.789 5.535 -4.634 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.272 4.213 -6.172 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.820 3.452 -7.367 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.329 2.077 -6.966 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.646 1.223 -8.183 1.00 0.00 C ATOM 1069 NZ LYS A 48 -11.674 0.189 -7.883 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.545 4.004 -6.672 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.670 5.996 -7.209 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.835 3.504 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.096 4.705 -5.656 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.630 4.022 -7.823 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.040 3.347 -8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.580 1.575 -6.353 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.223 2.184 -6.352 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.999 1.862 -8.993 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.735 0.738 -8.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.862 -0.372 -8.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.327 -0.436 -7.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.552 0.652 -7.573 1.00 0.00 H new ATOM 1083 N GLN A 49 -8.386 7.086 -4.956 1.00 0.00 N ATOM 1084 CA GLN A 49 -8.021 7.866 -3.779 1.00 0.00 C ATOM 1085 C GLN A 49 -8.675 7.297 -2.525 1.00 0.00 C ATOM 1086 O GLN A 49 -9.900 7.253 -2.415 1.00 0.00 O ATOM 1087 CB GLN A 49 -8.431 9.329 -3.964 1.00 0.00 C ATOM 1088 CG GLN A 49 -7.536 10.095 -4.924 1.00 0.00 C ATOM 1089 CD GLN A 49 -6.305 10.662 -4.246 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -5.176 10.312 -4.591 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -6.517 11.543 -3.275 1.00 0.00 N ATOM 0 H GLN A 49 -9.170 7.466 -5.486 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.939 7.811 -3.659 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.457 9.367 -4.329 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.419 9.826 -2.994 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -7.228 9.434 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -8.105 10.908 -5.375 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.470 11.804 -3.022 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -5.727 11.959 -2.782 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.848 6.862 -1.580 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.344 6.296 -0.330 1.00 0.00 C ATOM 1102 C LEU A 50 -8.670 7.399 0.673 1.00 0.00 C ATOM 1103 O LEU A 50 -7.920 7.632 1.621 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.309 5.336 0.262 1.00 0.00 C ATOM 1105 CG LEU A 50 -7.550 3.855 -0.039 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -7.432 3.585 -1.532 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -6.579 2.988 0.741 1.00 0.00 C ATOM 0 H LEU A 50 -6.831 6.890 -1.656 1.00 0.00 H new ATOM 0 HA LEU A 50 -9.259 5.744 -0.544 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.324 5.612 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.287 5.472 1.343 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.563 3.601 0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.607 2.527 -1.725 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.172 4.179 -2.069 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.433 3.856 -1.873 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -6.765 1.938 0.514 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -5.557 3.244 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.716 3.158 1.809 1.00 0.00 H new ATOM 1119 N GLU A 51 -9.793 8.076 0.455 1.00 0.00 N ATOM 1120 CA GLU A 51 -10.219 9.155 1.340 1.00 0.00 C ATOM 1121 C GLU A 51 -10.621 8.614 2.708 1.00 0.00 C ATOM 1122 O GLU A 51 -10.931 7.433 2.853 1.00 0.00 O ATOM 1123 CB GLU A 51 -11.389 9.920 0.718 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.164 10.295 -0.738 1.00 0.00 C ATOM 1125 CD GLU A 51 -11.797 11.624 -1.102 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -13.010 11.643 -1.396 1.00 0.00 O1- ATOM 1127 OE2 GLU A 51 -11.078 12.645 -1.093 1.00 0.00 O ATOM 0 H GLU A 51 -10.424 7.897 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 51 -9.377 9.834 1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -12.291 9.312 0.793 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -11.567 10.827 1.295 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.093 10.340 -0.936 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.574 9.514 -1.378 1.00 0.00 H new ATOM 1134 N ASP A 52 -10.614 9.489 3.709 1.00 0.00 N ATOM 1135 CA ASP A 52 -10.978 9.100 5.067 1.00 0.00 C ATOM 1136 C ASP A 52 -12.474 8.813 5.167 1.00 0.00 C ATOM 1137 O ASP A 52 -13.211 9.526 5.849 1.00 0.00 O ATOM 1138 CB ASP A 52 -10.588 10.200 6.056 1.00 0.00 C ATOM 1139 CG ASP A 52 -9.088 10.403 6.133 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -8.345 9.418 5.944 1.00 0.00 O1- ATOM 1141 OD2 ASP A 52 -8.655 11.548 6.383 1.00 0.00 O ATOM 0 H ASP A 52 -10.360 10.472 3.605 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.435 8.189 5.317 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.064 11.135 5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -10.969 9.947 7.045 1.00 0.00 H new ATOM 1146 N GLY A 53 -12.915 7.762 4.484 1.00 0.00 N ATOM 1147 CA GLY A 53 -14.320 7.399 4.509 1.00 0.00 C ATOM 1148 C GLY A 53 -14.673 6.375 3.448 1.00 0.00 C ATOM 1149 O GLY A 53 -15.724 6.467 2.813 1.00 0.00 O ATOM 0 H GLY A 53 -12.325 7.156 3.914 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -14.572 7.001 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.926 8.293 4.362 1.00 0.00 H new ATOM 1153 N ARG A 54 -13.793 5.398 3.255 1.00 0.00 N ATOM 1154 CA ARG A 54 -14.017 4.353 2.263 1.00 0.00 C ATOM 1155 C ARG A 54 -13.504 3.009 2.765 1.00 0.00 C ATOM 1156 O ARG A 54 -12.472 2.937 3.433 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.329 4.716 0.947 1.00 0.00 C ATOM 1158 CG ARG A 54 -14.040 5.810 0.167 1.00 0.00 C ATOM 1159 CD ARG A 54 -15.327 5.300 -0.460 1.00 0.00 C ATOM 1160 NE ARG A 54 -15.151 4.958 -1.869 1.00 0.00 N ATOM 1161 CZ ARG A 54 -16.155 4.827 -2.732 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -17.409 5.009 -2.334 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -15.908 4.514 -3.997 1.00 0.00 N ATOM 0 H ARG A 54 -12.918 5.308 3.772 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.091 4.271 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.309 5.036 1.157 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.261 3.824 0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.263 6.645 0.831 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.380 6.190 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -15.673 4.422 0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -16.102 6.060 -0.366 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.202 4.811 -2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -17.606 5.250 -1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.175 4.907 -3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.947 4.373 -4.309 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -16.679 4.414 -4.657 1.00 0.00 H new ATOM 1177 N THR A 55 -14.231 1.945 2.440 1.00 0.00 N ATOM 1178 CA THR A 55 -13.850 0.601 2.860 1.00 0.00 C ATOM 1179 C THR A 55 -12.691 0.075 2.019 1.00 0.00 C ATOM 1180 O THR A 55 -12.255 0.724 1.067 1.00 0.00 O ATOM 1181 CB THR A 55 -15.044 -0.348 2.751 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.846 -0.019 1.631 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.935 -0.329 3.974 1.00 0.00 C ATOM 0 H THR A 55 -15.087 1.987 1.887 1.00 0.00 H new ATOM 0 HA THR A 55 -13.528 0.651 3.900 1.00 0.00 H new ATOM 0 HB THR A 55 -14.613 -1.344 2.649 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.603 -0.639 1.578 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.763 -1.024 3.832 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.358 -0.626 4.849 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.327 0.677 4.123 1.00 0.00 H new ATOM 1191 N LEU A 56 -12.194 -1.104 2.379 1.00 0.00 N ATOM 1192 CA LEU A 56 -11.085 -1.719 1.660 1.00 0.00 C ATOM 1193 C LEU A 56 -11.587 -2.602 0.524 1.00 0.00 C ATOM 1194 O LEU A 56 -10.988 -2.650 -0.550 1.00 0.00 O ATOM 1195 CB LEU A 56 -10.224 -2.536 2.615 1.00 0.00 C ATOM 1196 CG LEU A 56 -9.802 -1.820 3.900 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -8.411 -2.242 4.292 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -9.810 -0.321 3.724 1.00 0.00 C ATOM 0 H LEU A 56 -12.542 -1.653 3.165 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.481 -0.921 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.770 -3.439 2.886 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.326 -2.853 2.085 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.518 -2.093 4.675 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.119 -1.727 5.207 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -8.391 -3.319 4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.714 -1.986 3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.505 0.156 4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.116 -0.044 2.930 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.814 0.009 3.459 1.00 0.00 H new ATOM 1210 N SER A 57 -12.690 -3.303 0.770 1.00 0.00 N ATOM 1211 CA SER A 57 -13.274 -4.188 -0.233 1.00 0.00 C ATOM 1212 C SER A 57 -13.605 -3.422 -1.511 1.00 0.00 C ATOM 1213 O SER A 57 -13.574 -3.980 -2.607 1.00 0.00 O ATOM 1214 CB SER A 57 -14.535 -4.854 0.318 1.00 0.00 C ATOM 1215 OG SER A 57 -15.007 -5.859 -0.561 1.00 0.00 O ATOM 0 H SER A 57 -13.197 -3.275 1.655 1.00 0.00 H new ATOM 0 HA SER A 57 -12.540 -4.957 -0.474 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.322 -5.291 1.294 1.00 0.00 H new ATOM 0 HB3 SER A 57 -15.311 -4.103 0.467 1.00 0.00 H new ATOM 0 HG SER A 57 -15.813 -6.270 -0.185 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.922 -2.140 -1.361 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.259 -1.297 -2.503 1.00 0.00 C ATOM 1223 C ASP A 58 -13.019 -0.989 -3.336 1.00 0.00 C ATOM 1224 O ASP A 58 -13.105 -0.810 -4.550 1.00 0.00 O ATOM 1225 CB ASP A 58 -14.906 0.005 -2.028 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.461 0.826 -3.177 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -14.667 1.250 -4.041 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -16.690 1.043 -3.210 1.00 0.00 O1- ATOM 0 H ASP A 58 -13.953 -1.662 -0.460 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.968 -1.840 -3.128 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.709 -0.225 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.169 0.597 -1.484 1.00 0.00 H new ATOM 1233 N TYR A 59 -11.867 -0.927 -2.675 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.610 -0.640 -3.356 1.00 0.00 C ATOM 1235 C TYR A 59 -9.889 -1.925 -3.763 1.00 0.00 C ATOM 1236 O TYR A 59 -8.775 -1.880 -4.284 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.703 0.201 -2.456 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.192 1.618 -2.256 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.489 2.429 -3.344 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.358 2.143 -0.981 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.937 3.725 -3.166 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.806 3.437 -0.794 1.00 0.00 C ATOM 1243 CZ TYR A 59 -11.093 4.223 -1.890 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.539 5.512 -1.708 1.00 0.00 O ATOM 0 H TYR A 59 -11.778 -1.072 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.843 -0.080 -4.262 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.618 -0.285 -1.484 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.702 0.229 -2.887 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.368 2.041 -4.345 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.133 1.530 -0.121 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -11.163 4.344 -4.022 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.931 3.830 0.204 1.00 0.00 H new ATOM 0 HH TYR A 59 -11.031 6.119 -2.287 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.527 -3.070 -3.526 1.00 0.00 N ATOM 1255 CA ASN A 60 -9.938 -4.359 -3.873 1.00 0.00 C ATOM 1256 C ASN A 60 -8.606 -4.561 -3.157 1.00 0.00 C ATOM 1257 O ASN A 60 -7.642 -5.051 -3.745 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.739 -4.459 -5.387 1.00 0.00 C ATOM 1259 CG ASN A 60 -11.000 -4.894 -6.108 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -11.945 -4.120 -6.253 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -11.018 -6.141 -6.565 1.00 0.00 N ATOM 0 H ASN A 60 -11.450 -3.130 -3.096 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.623 -5.143 -3.550 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -9.418 -3.492 -5.773 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.939 -5.168 -5.600 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.839 -6.491 -7.059 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -10.211 -6.748 -6.422 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.559 -4.182 -1.884 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.345 -4.324 -1.090 1.00 0.00 C ATOM 1270 C ILE A 61 -7.267 -5.706 -0.447 1.00 0.00 C ATOM 1271 O ILE A 61 -8.126 -6.078 0.352 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.266 -3.254 0.016 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.550 -1.867 -0.565 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.900 -3.285 0.685 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.497 -0.758 0.464 1.00 0.00 C ATOM 0 H ILE A 61 -9.347 -3.775 -1.381 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.506 -4.193 -1.773 1.00 0.00 H new ATOM 0 HB ILE A 61 -8.023 -3.473 0.769 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.826 -1.656 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.535 -1.872 -1.031 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.859 -2.524 1.464 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.734 -4.267 1.128 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -5.127 -3.087 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.708 0.196 -0.018 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.240 -0.945 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.504 -0.726 0.913 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.231 -6.460 -0.800 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.041 -7.800 -0.256 1.00 0.00 C ATOM 1289 C GLN A 62 -4.974 -7.798 0.832 1.00 0.00 C ATOM 1290 O GLN A 62 -4.425 -6.750 1.175 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.650 -8.774 -1.370 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.652 -8.830 -2.510 1.00 0.00 C ATOM 1293 CD GLN A 62 -7.951 -9.504 -2.112 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -7.963 -10.672 -1.724 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -9.053 -8.769 -2.209 1.00 0.00 N ATOM 0 H GLN A 62 -5.511 -6.166 -1.460 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.983 -8.124 0.186 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.677 -8.486 -1.767 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.539 -9.772 -0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.863 -7.817 -2.854 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.211 -9.366 -3.350 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.996 -7.804 -2.536 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -9.957 -9.169 -1.957 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.681 -8.976 1.372 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.677 -9.106 2.422 1.00 0.00 C ATOM 1306 C LYS A 63 -2.282 -8.813 1.879 1.00 0.00 C ATOM 1307 O LYS A 63 -1.963 -9.157 0.741 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.721 -10.510 3.032 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.251 -11.604 2.085 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.121 -12.844 2.188 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.568 -12.543 1.832 1.00 0.00 C ATOM 1312 NZ LYS A 63 -6.262 -13.735 1.271 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.124 -9.854 1.100 1.00 0.00 H new ATOM 0 HA LYS A 63 -3.904 -8.377 3.200 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.101 -10.527 3.928 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.742 -10.728 3.347 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.267 -11.231 1.061 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.217 -11.864 2.313 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.735 -13.616 1.523 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.070 -13.242 3.202 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.097 -12.200 2.721 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.602 -11.729 1.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -7.246 -13.488 1.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.773 -14.047 0.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -6.253 -14.504 1.971 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.456 -8.174 2.700 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.095 -7.831 2.304 1.00 0.00 C ATOM 1328 C GLU A 64 -0.094 -6.956 1.054 1.00 0.00 C ATOM 1329 O GLU A 64 0.869 -6.952 0.288 1.00 0.00 O ATOM 1330 CB GLU A 64 0.723 -9.099 2.054 1.00 0.00 C ATOM 1331 CG GLU A 64 1.147 -9.811 3.329 1.00 0.00 C ATOM 1332 CD GLU A 64 2.029 -11.014 3.058 1.00 0.00 C ATOM 1333 OE1 GLU A 64 1.992 -11.533 1.923 1.00 0.00 O1- ATOM 1334 OE2 GLU A 64 2.754 -11.437 3.982 1.00 0.00 O ATOM 0 H GLU A 64 -1.706 -7.883 3.645 1.00 0.00 H new ATOM 0 HA GLU A 64 0.361 -7.269 3.119 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.137 -9.785 1.443 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.612 -8.840 1.479 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.681 -9.111 3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.259 -10.131 3.875 1.00 0.00 H new ATOM 1341 N SER A 65 -1.180 -6.215 0.854 1.00 0.00 N ATOM 1342 CA SER A 65 -1.302 -5.335 -0.303 1.00 0.00 C ATOM 1343 C SER A 65 -0.406 -4.112 -0.147 1.00 0.00 C ATOM 1344 O SER A 65 -0.137 -3.666 0.969 1.00 0.00 O ATOM 1345 CB SER A 65 -2.756 -4.898 -0.487 1.00 0.00 C ATOM 1346 OG SER A 65 -3.543 -5.952 -1.015 1.00 0.00 O ATOM 0 H SER A 65 -1.987 -6.207 1.478 1.00 0.00 H new ATOM 0 HA SER A 65 -0.984 -5.888 -1.187 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.167 -4.578 0.471 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.799 -4.038 -1.155 1.00 0.00 H new ATOM 0 HG SER A 65 -3.664 -5.819 -1.978 1.00 0.00 H new ATOM 1352 N THR A 66 0.054 -3.573 -1.270 1.00 0.00 N ATOM 1353 CA THR A 66 0.922 -2.401 -1.253 1.00 0.00 C ATOM 1354 C THR A 66 0.108 -1.117 -1.384 1.00 0.00 C ATOM 1355 O THR A 66 -0.314 -0.747 -2.480 1.00 0.00 O ATOM 1356 CB THR A 66 1.959 -2.486 -2.377 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.678 -3.573 -3.242 1.00 0.00 O ATOM 1358 CG2 THR A 66 3.373 -2.658 -1.867 1.00 0.00 C ATOM 0 H THR A 66 -0.159 -3.928 -2.202 1.00 0.00 H new ATOM 0 HA THR A 66 1.442 -2.381 -0.295 1.00 0.00 H new ATOM 0 HB THR A 66 1.891 -1.536 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.351 -3.608 -3.953 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.060 -2.712 -2.711 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.638 -1.809 -1.237 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.441 -3.577 -1.285 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.104 -0.441 -0.261 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.864 0.804 -0.250 1.00 0.00 C ATOM 1368 C LEU A 67 0.066 2.004 -0.399 1.00 0.00 C ATOM 1369 O LEU A 67 0.971 2.204 0.411 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.674 0.924 1.045 1.00 0.00 C ATOM 1371 CG LEU A 67 -2.966 0.111 1.085 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.786 0.471 2.314 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.782 0.326 -0.182 1.00 0.00 C ATOM 0 H LEU A 67 0.239 -0.734 0.654 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.552 0.791 -1.095 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.043 0.614 1.878 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.920 1.974 1.204 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.700 -0.945 1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.703 -0.118 2.325 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.207 0.258 3.213 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.037 1.531 2.286 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.697 -0.264 -0.130 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.035 1.382 -0.277 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -3.198 0.014 -1.048 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.160 2.797 -1.441 1.00 0.00 N ATOM 1386 CA HIS A 68 0.663 3.973 -1.698 1.00 0.00 C ATOM 1387 C HIS A 68 0.320 5.102 -0.731 1.00 0.00 C ATOM 1388 O HIS A 68 -0.776 5.661 -0.777 1.00 0.00 O ATOM 1389 CB HIS A 68 0.475 4.448 -3.141 1.00 0.00 C ATOM 1390 CG HIS A 68 1.406 3.793 -4.112 1.00 0.00 C ATOM 1391 ND1 HIS A 68 1.041 2.719 -4.898 1.00 0.00 N ATOM 1392 CD2 HIS A 68 2.695 4.064 -4.425 1.00 0.00 C ATOM 1393 CE1 HIS A 68 2.065 2.359 -5.650 1.00 0.00 C ATOM 1394 NE2 HIS A 68 3.080 3.159 -5.383 1.00 0.00 N ATOM 0 H HIS A 68 -0.906 2.647 -2.121 1.00 0.00 H new ATOM 0 HA HIS A 68 1.706 3.694 -1.546 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.553 4.254 -3.448 1.00 0.00 H new ATOM 0 HB3 HIS A 68 0.621 5.527 -3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 68 3.306 4.846 -4.000 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.071 1.548 -6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 68 4.001 3.113 -5.818 1.00 0.00 H new ATOM 1403 N LEU A 69 1.264 5.434 0.142 1.00 0.00 N ATOM 1404 CA LEU A 69 1.061 6.497 1.117 1.00 0.00 C ATOM 1405 C LEU A 69 1.728 7.790 0.659 1.00 0.00 C ATOM 1406 O LEU A 69 2.750 7.765 -0.027 1.00 0.00 O ATOM 1407 CB LEU A 69 1.616 6.085 2.483 1.00 0.00 C ATOM 1408 CG LEU A 69 0.996 6.807 3.676 1.00 0.00 C ATOM 1409 CD1 LEU A 69 0.917 5.884 4.884 1.00 0.00 C ATOM 1410 CD2 LEU A 69 1.802 8.045 4.001 1.00 0.00 C ATOM 0 H LEU A 69 2.177 4.982 0.194 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.012 6.670 1.205 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.468 5.013 2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.692 6.262 2.490 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.020 7.106 3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.472 6.420 5.723 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.303 5.017 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.920 5.554 5.156 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.355 8.557 4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.825 7.759 4.245 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.807 8.712 3.139 1.00 0.00 H new ATOM 1422 N VAL A 70 1.144 8.920 1.046 1.00 0.00 N ATOM 1423 CA VAL A 70 1.682 10.223 0.677 1.00 0.00 C ATOM 1424 C VAL A 70 1.712 11.162 1.879 1.00 0.00 C ATOM 1425 O VAL A 70 0.704 11.779 2.221 1.00 0.00 O ATOM 1426 CB VAL A 70 0.858 10.874 -0.449 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.540 12.141 -0.947 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.644 9.893 -1.591 1.00 0.00 C ATOM 0 H VAL A 70 0.298 8.959 1.615 1.00 0.00 H new ATOM 0 HA VAL A 70 2.699 10.057 0.321 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.118 11.147 -0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.943 12.587 -1.742 1.00 0.00 H new ATOM 0 HG12 VAL A 70 1.636 12.850 -0.125 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.530 11.894 -1.331 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.060 10.371 -2.377 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.610 9.586 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.109 9.017 -1.223 1.00 0.00 H new ATOM 1438 N LEU A 71 2.873 11.262 2.517 1.00 0.00 N ATOM 1439 CA LEU A 71 3.035 12.124 3.681 1.00 0.00 C ATOM 1440 C LEU A 71 3.102 13.590 3.268 1.00 0.00 C ATOM 1441 O LEU A 71 4.020 14.004 2.558 1.00 0.00 O ATOM 1442 CB LEU A 71 4.298 11.741 4.455 1.00 0.00 C ATOM 1443 CG LEU A 71 4.478 10.242 4.701 1.00 0.00 C ATOM 1444 CD1 LEU A 71 5.910 9.937 5.114 1.00 0.00 C ATOM 1445 CD2 LEU A 71 3.501 9.755 5.760 1.00 0.00 C ATOM 0 H LEU A 71 3.716 10.756 2.247 1.00 0.00 H new ATOM 0 HA LEU A 71 2.167 11.987 4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.166 12.111 3.909 1.00 0.00 H new ATOM 0 HB3 LEU A 71 4.285 12.252 5.417 1.00 0.00 H new ATOM 0 HG LEU A 71 4.269 9.713 3.771 1.00 0.00 H new ATOM 0 HD11 LEU A 71 6.019 8.866 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 71 6.591 10.250 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 71 6.147 10.477 6.031 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.643 8.687 5.922 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.679 10.290 6.693 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.480 9.938 5.425 1.00 0.00 H new ATOM 1457 N ARG A 72 2.126 14.372 3.716 1.00 0.00 N ATOM 1458 CA ARG A 72 2.074 15.792 3.393 1.00 0.00 C ATOM 1459 C ARG A 72 3.038 16.585 4.270 1.00 0.00 C ATOM 1460 O ARG A 72 2.687 17.008 5.371 1.00 0.00 O ATOM 1461 CB ARG A 72 0.651 16.325 3.568 1.00 0.00 C ATOM 1462 CG ARG A 72 0.362 17.571 2.748 1.00 0.00 C ATOM 1463 CD ARG A 72 -0.682 18.450 3.418 1.00 0.00 C ATOM 1464 NE ARG A 72 -2.037 18.120 2.982 1.00 0.00 N ATOM 1465 CZ ARG A 72 -3.137 18.645 3.516 1.00 0.00 C ATOM 1466 NH1 ARG A 72 -3.047 19.524 4.506 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 -4.330 18.290 3.059 1.00 0.00 N ATOM 0 H ARG A 72 1.360 14.045 4.305 1.00 0.00 H new ATOM 0 HA ARG A 72 2.374 15.913 2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -0.057 15.545 3.289 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.482 16.547 4.622 1.00 0.00 H new ATOM 0 HG2 ARG A 72 1.282 18.138 2.610 1.00 0.00 H new ATOM 0 HG3 ARG A 72 0.014 17.282 1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.611 18.336 4.500 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.473 19.496 3.193 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.146 17.447 2.223 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.132 19.800 4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.893 19.923 4.912 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.404 17.615 2.298 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.173 18.692 3.468 1.00 0.00 H new