USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=12 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 55 THR OG1 : rot -178:sc= 0.0286 USER MOD Set 1.2: A 57 SER OG : rot -76:sc= 0.0267 USER MOD Set 2.1: A 25 ASN : amide:sc= -4.92 K(o=-4.9,f=-5.8!) USER MOD Set 2.2: A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 160:sc= -1.01 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= -0.926 USER MOD Single : A 14 THR OG1 : rot -37:sc= 1.03 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0663 USER MOD Single : A 27 LYS NZ :NH3+ 147:sc= -2.26 (180deg=-5.7!) USER MOD Single : A 31 GLN : amide:sc= -2.79 K(o=-2.8,f=-4.8!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.19 K(o=-0.19,f=-3.1!) USER MOD Single : A 41 GLN : amide:sc= -10.5! C(o=-11!,f=-18!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= -0.92 K(o=-0.92,f=-3!) USER MOD Single : A 59 TYR OH : rot -48:sc= 1.85 USER MOD Single : A 60 ASN : amide:sc= -0.176 K(o=-0.18,f=-2.6!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -130:sc= -0.198 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.116 X(o=-0.12,f=-0.0032) USER MOD ----------------------------------------------------------------- ATOM 326 N GLN A 2 -3.116 -8.730 7.070 1.00 0.00 N ATOM 327 CA GLN A 2 -1.953 -7.875 7.281 1.00 0.00 C ATOM 328 C GLN A 2 -1.502 -7.239 5.970 1.00 0.00 C ATOM 329 O GLN A 2 -0.769 -7.851 5.193 1.00 0.00 O ATOM 330 CB GLN A 2 -0.805 -8.680 7.892 1.00 0.00 C ATOM 331 CG GLN A 2 -0.347 -9.842 7.024 1.00 0.00 C ATOM 332 CD GLN A 2 -0.278 -11.150 7.787 1.00 0.00 C ATOM 333 OE1 GLN A 2 0.505 -11.294 8.726 1.00 0.00 O ATOM 334 NE2 GLN A 2 -1.100 -12.113 7.387 1.00 0.00 N ATOM 0 HA GLN A 2 -2.237 -7.081 7.971 1.00 0.00 H new ATOM 0 HB2 GLN A 2 0.040 -8.015 8.069 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -1.118 -9.064 8.863 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -1.030 -9.953 6.182 1.00 0.00 H new ATOM 0 HG3 GLN A 2 0.635 -9.616 6.610 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -1.733 -11.951 6.604 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -1.099 -13.015 7.863 1.00 0.00 H new ATOM 343 N ILE A 3 -1.941 -6.008 5.730 1.00 0.00 N ATOM 344 CA ILE A 3 -1.577 -5.292 4.513 1.00 0.00 C ATOM 345 C ILE A 3 -0.279 -4.518 4.709 1.00 0.00 C ATOM 346 O ILE A 3 0.177 -4.336 5.837 1.00 0.00 O ATOM 347 CB ILE A 3 -2.689 -4.317 4.079 1.00 0.00 C ATOM 348 CG1 ILE A 3 -2.972 -3.302 5.188 1.00 0.00 C ATOM 349 CG2 ILE A 3 -3.953 -5.083 3.719 1.00 0.00 C ATOM 350 CD1 ILE A 3 -3.575 -2.013 4.688 1.00 0.00 C ATOM 0 H ILE A 3 -2.549 -5.486 6.361 1.00 0.00 H new ATOM 0 HA ILE A 3 -1.440 -6.038 3.730 1.00 0.00 H new ATOM 0 HB ILE A 3 -2.351 -3.775 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.648 -3.751 5.916 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -2.042 -3.079 5.711 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -4.729 -4.381 3.414 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.742 -5.769 2.899 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.295 -5.649 4.586 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -3.748 -1.342 5.529 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.891 -1.541 3.982 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.522 -2.223 4.191 1.00 0.00 H new ATOM 362 N PHE A 4 0.316 -4.065 3.611 1.00 0.00 N ATOM 363 CA PHE A 4 1.563 -3.314 3.684 1.00 0.00 C ATOM 364 C PHE A 4 1.412 -1.928 3.064 1.00 0.00 C ATOM 365 O PHE A 4 1.174 -1.792 1.864 1.00 0.00 O ATOM 366 CB PHE A 4 2.696 -4.085 2.999 1.00 0.00 C ATOM 367 CG PHE A 4 3.716 -4.609 3.970 1.00 0.00 C ATOM 368 CD1 PHE A 4 4.371 -3.744 4.829 1.00 0.00 C ATOM 369 CD2 PHE A 4 4.004 -5.962 4.039 1.00 0.00 C ATOM 370 CE1 PHE A 4 5.295 -4.214 5.742 1.00 0.00 C ATOM 371 CE2 PHE A 4 4.931 -6.441 4.947 1.00 0.00 C ATOM 372 CZ PHE A 4 5.577 -5.565 5.800 1.00 0.00 C ATOM 0 H PHE A 4 -0.042 -4.204 2.666 1.00 0.00 H new ATOM 0 HA PHE A 4 1.814 -3.186 4.737 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.274 -4.919 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.189 -3.433 2.278 1.00 0.00 H new ATOM 0 HD1 PHE A 4 4.157 -2.686 4.785 1.00 0.00 H new ATOM 0 HD2 PHE A 4 3.500 -6.650 3.377 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.795 -3.527 6.409 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.150 -7.498 4.990 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.301 -5.936 6.510 1.00 0.00 H new ATOM 382 N VAL A 5 1.556 -0.901 3.896 1.00 0.00 N ATOM 383 CA VAL A 5 1.443 0.477 3.439 1.00 0.00 C ATOM 384 C VAL A 5 2.806 1.020 3.026 1.00 0.00 C ATOM 385 O VAL A 5 3.643 1.333 3.874 1.00 0.00 O ATOM 386 CB VAL A 5 0.845 1.387 4.530 1.00 0.00 C ATOM 387 CG1 VAL A 5 0.614 2.791 3.990 1.00 0.00 C ATOM 388 CG2 VAL A 5 -0.450 0.796 5.068 1.00 0.00 C ATOM 0 H VAL A 5 1.752 -0.999 4.892 1.00 0.00 H new ATOM 0 HA VAL A 5 0.774 0.477 2.579 1.00 0.00 H new ATOM 0 HB VAL A 5 1.558 1.452 5.352 1.00 0.00 H new ATOM 0 HG11 VAL A 5 0.192 3.418 4.775 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.562 3.214 3.659 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.078 2.748 3.149 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -0.857 1.452 5.837 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.170 0.698 4.256 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.251 -0.186 5.497 1.00 0.00 H new ATOM 398 N LYS A 6 3.024 1.122 1.718 1.00 0.00 N ATOM 399 CA LYS A 6 4.287 1.622 1.187 1.00 0.00 C ATOM 400 C LYS A 6 4.217 3.123 0.931 1.00 0.00 C ATOM 401 O LYS A 6 3.264 3.616 0.329 1.00 0.00 O ATOM 402 CB LYS A 6 4.644 0.889 -0.107 1.00 0.00 C ATOM 403 CG LYS A 6 6.128 0.916 -0.433 1.00 0.00 C ATOM 404 CD LYS A 6 6.499 -0.162 -1.439 1.00 0.00 C ATOM 405 CE LYS A 6 7.494 0.353 -2.466 1.00 0.00 C ATOM 406 NZ LYS A 6 8.898 0.025 -2.092 1.00 0.00 N1+ ATOM 0 H LYS A 6 2.341 0.864 1.006 1.00 0.00 H new ATOM 0 HA LYS A 6 5.063 1.436 1.930 1.00 0.00 H new ATOM 0 HB2 LYS A 6 4.317 -0.148 -0.029 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.091 1.337 -0.933 1.00 0.00 H new ATOM 0 HG2 LYS A 6 6.396 1.894 -0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.705 0.776 0.481 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.925 -1.018 -0.916 1.00 0.00 H new ATOM 0 HD3 LYS A 6 5.600 -0.513 -1.946 1.00 0.00 H new ATOM 0 HE2 LYS A 6 7.267 -0.080 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 6 7.387 1.433 -2.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 9.546 0.393 -2.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 9.123 0.459 -1.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 9.007 -1.007 -2.023 1.00 0.00 H new ATOM 420 N THR A 7 5.235 3.844 1.388 1.00 0.00 N ATOM 421 CA THR A 7 5.290 5.290 1.205 1.00 0.00 C ATOM 422 C THR A 7 6.083 5.649 -0.047 1.00 0.00 C ATOM 423 O THR A 7 6.907 4.864 -0.518 1.00 0.00 O ATOM 424 CB THR A 7 5.919 5.956 2.430 1.00 0.00 C ATOM 425 OG1 THR A 7 7.310 5.693 2.485 1.00 0.00 O ATOM 426 CG2 THR A 7 5.313 5.498 3.738 1.00 0.00 C ATOM 0 H THR A 7 6.033 3.451 1.888 1.00 0.00 H new ATOM 0 HA THR A 7 4.270 5.656 1.085 1.00 0.00 H new ATOM 0 HB THR A 7 5.723 7.022 2.311 1.00 0.00 H new ATOM 0 HG1 THR A 7 7.746 6.359 3.057 1.00 0.00 H new ATOM 0 HG21 THR A 7 5.805 6.009 4.566 1.00 0.00 H new ATOM 0 HG22 THR A 7 4.249 5.733 3.748 1.00 0.00 H new ATOM 0 HG23 THR A 7 5.448 4.422 3.845 1.00 0.00 H new ATOM 434 N LEU A 8 5.831 6.839 -0.583 1.00 0.00 N ATOM 435 CA LEU A 8 6.522 7.301 -1.781 1.00 0.00 C ATOM 436 C LEU A 8 8.033 7.318 -1.568 1.00 0.00 C ATOM 437 O LEU A 8 8.805 7.161 -2.514 1.00 0.00 O ATOM 438 CB LEU A 8 6.033 8.696 -2.173 1.00 0.00 C ATOM 439 CG LEU A 8 4.879 8.716 -3.176 1.00 0.00 C ATOM 440 CD1 LEU A 8 3.843 9.756 -2.792 1.00 0.00 C ATOM 441 CD2 LEU A 8 5.392 9.004 -4.571 1.00 0.00 C ATOM 0 H LEU A 8 5.153 7.501 -0.206 1.00 0.00 H new ATOM 0 HA LEU A 8 6.297 6.605 -2.589 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.720 9.222 -1.271 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.870 9.254 -2.593 1.00 0.00 H new ATOM 0 HG LEU A 8 4.410 7.732 -3.162 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.033 9.750 -3.522 1.00 0.00 H new ATOM 0 HD12 LEU A 8 3.444 9.524 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 8 4.307 10.742 -2.774 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.557 9.014 -5.271 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.888 9.975 -4.583 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.102 8.231 -4.865 1.00 0.00 H new ATOM 453 N THR A 9 8.449 7.508 -0.320 1.00 0.00 N ATOM 454 CA THR A 9 9.865 7.543 0.016 1.00 0.00 C ATOM 455 C THR A 9 10.449 6.131 0.024 1.00 0.00 C ATOM 456 O THR A 9 11.631 5.936 -0.256 1.00 0.00 O ATOM 457 CB THR A 9 10.059 8.228 1.378 1.00 0.00 C ATOM 458 OG1 THR A 9 10.483 9.568 1.204 1.00 0.00 O ATOM 459 CG2 THR A 9 11.070 7.546 2.277 1.00 0.00 C ATOM 0 H THR A 9 7.824 7.640 0.475 1.00 0.00 H new ATOM 0 HA THR A 9 10.397 8.119 -0.741 1.00 0.00 H new ATOM 0 HB THR A 9 9.083 8.170 1.861 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.600 9.990 2.080 1.00 0.00 H new ATOM 0 HG21 THR A 9 11.147 8.092 3.217 1.00 0.00 H new ATOM 0 HG22 THR A 9 10.749 6.524 2.476 1.00 0.00 H new ATOM 0 HG23 THR A 9 12.043 7.531 1.785 1.00 0.00 H new ATOM 467 N GLY A 10 9.610 5.150 0.347 1.00 0.00 N ATOM 468 CA GLY A 10 10.060 3.771 0.384 1.00 0.00 C ATOM 469 C GLY A 10 9.921 3.153 1.761 1.00 0.00 C ATOM 470 O GLY A 10 10.890 2.635 2.316 1.00 0.00 O ATOM 0 H GLY A 10 8.627 5.286 0.583 1.00 0.00 H new ATOM 0 HA2 GLY A 10 9.486 3.185 -0.334 1.00 0.00 H new ATOM 0 HA3 GLY A 10 11.103 3.724 0.072 1.00 0.00 H new ATOM 474 N LYS A 11 8.714 3.207 2.314 1.00 0.00 N ATOM 475 CA LYS A 11 8.455 2.647 3.636 1.00 0.00 C ATOM 476 C LYS A 11 7.191 1.793 3.629 1.00 0.00 C ATOM 477 O LYS A 11 6.076 2.314 3.663 1.00 0.00 O ATOM 478 CB LYS A 11 8.325 3.766 4.673 1.00 0.00 C ATOM 479 CG LYS A 11 7.949 3.271 6.063 1.00 0.00 C ATOM 480 CD LYS A 11 9.076 3.460 7.057 1.00 0.00 C ATOM 481 CE LYS A 11 9.503 2.140 7.680 1.00 0.00 C ATOM 482 NZ LYS A 11 10.721 1.585 7.027 1.00 0.00 N1+ ATOM 0 H LYS A 11 7.901 3.632 1.868 1.00 0.00 H new ATOM 0 HA LYS A 11 9.299 2.011 3.904 1.00 0.00 H new ATOM 0 HB2 LYS A 11 9.270 4.306 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.572 4.478 4.334 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.065 3.805 6.411 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.684 2.215 6.012 1.00 0.00 H new ATOM 0 HD2 LYS A 11 9.929 3.919 6.557 1.00 0.00 H new ATOM 0 HD3 LYS A 11 8.758 4.147 7.841 1.00 0.00 H new ATOM 0 HE2 LYS A 11 9.696 2.286 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.688 1.420 7.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 10.979 0.685 7.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 10.530 1.421 6.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 11.506 2.260 7.126 1.00 0.00 H new ATOM 496 N THR A 12 7.376 0.478 3.597 1.00 0.00 N ATOM 497 CA THR A 12 6.257 -0.457 3.597 1.00 0.00 C ATOM 498 C THR A 12 6.092 -1.083 4.977 1.00 0.00 C ATOM 499 O THR A 12 6.929 -1.875 5.410 1.00 0.00 O ATOM 500 CB THR A 12 6.478 -1.550 2.550 1.00 0.00 C ATOM 501 OG1 THR A 12 7.362 -1.103 1.538 1.00 0.00 O ATOM 502 CG2 THR A 12 5.200 -2.002 1.877 1.00 0.00 C ATOM 0 H THR A 12 8.294 0.034 3.571 1.00 0.00 H new ATOM 0 HA THR A 12 5.348 0.090 3.347 1.00 0.00 H new ATOM 0 HB THR A 12 6.898 -2.394 3.097 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.618 -1.859 0.970 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.428 -2.778 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 12 4.515 -2.399 2.626 1.00 0.00 H new ATOM 0 HG23 THR A 12 4.735 -1.155 1.373 1.00 0.00 H new ATOM 510 N ILE A 13 5.018 -0.718 5.673 1.00 0.00 N ATOM 511 CA ILE A 13 4.774 -1.248 7.011 1.00 0.00 C ATOM 512 C ILE A 13 3.567 -2.180 7.055 1.00 0.00 C ATOM 513 O ILE A 13 2.548 -1.932 6.411 1.00 0.00 O ATOM 514 CB ILE A 13 4.561 -0.126 8.039 1.00 0.00 C ATOM 515 CG1 ILE A 13 5.818 0.710 8.185 1.00 0.00 C ATOM 516 CG2 ILE A 13 4.190 -0.720 9.374 1.00 0.00 C ATOM 517 CD1 ILE A 13 7.011 -0.104 8.582 1.00 0.00 C ATOM 0 H ILE A 13 4.310 -0.065 5.337 1.00 0.00 H new ATOM 0 HA ILE A 13 5.669 -1.814 7.268 1.00 0.00 H new ATOM 0 HB ILE A 13 3.753 0.516 7.689 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.025 1.215 7.241 1.00 0.00 H new ATOM 0 HG13 ILE A 13 5.648 1.486 8.931 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.040 0.080 10.099 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.270 -1.295 9.273 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.991 -1.375 9.716 1.00 0.00 H new ATOM 0 HD11 ILE A 13 7.881 0.546 8.672 1.00 0.00 H new ATOM 0 HD12 ILE A 13 6.819 -0.588 9.540 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.202 -0.864 7.824 1.00 0.00 H new ATOM 529 N THR A 14 3.696 -3.251 7.835 1.00 0.00 N ATOM 530 CA THR A 14 2.623 -4.223 7.986 1.00 0.00 C ATOM 531 C THR A 14 1.544 -3.675 8.909 1.00 0.00 C ATOM 532 O THR A 14 1.762 -3.514 10.110 1.00 0.00 O ATOM 533 CB THR A 14 3.168 -5.541 8.540 1.00 0.00 C ATOM 534 OG1 THR A 14 4.567 -5.631 8.338 1.00 0.00 O ATOM 535 CG2 THR A 14 2.534 -6.763 7.911 1.00 0.00 C ATOM 0 H THR A 14 4.536 -3.465 8.372 1.00 0.00 H new ATOM 0 HA THR A 14 2.187 -4.412 7.005 1.00 0.00 H new ATOM 0 HB THR A 14 2.923 -5.530 9.602 1.00 0.00 H new ATOM 0 HG1 THR A 14 4.798 -5.238 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 14 2.966 -7.663 8.349 1.00 0.00 H new ATOM 0 HG22 THR A 14 1.459 -6.750 8.093 1.00 0.00 H new ATOM 0 HG23 THR A 14 2.720 -6.757 6.837 1.00 0.00 H new ATOM 543 N LEU A 15 0.386 -3.381 8.338 1.00 0.00 N ATOM 544 CA LEU A 15 -0.726 -2.839 9.102 1.00 0.00 C ATOM 545 C LEU A 15 -1.973 -3.702 8.922 1.00 0.00 C ATOM 546 O LEU A 15 -2.388 -3.988 7.798 1.00 0.00 O ATOM 547 CB LEU A 15 -0.990 -1.397 8.664 1.00 0.00 C ATOM 548 CG LEU A 15 -1.735 -0.528 9.675 1.00 0.00 C ATOM 549 CD1 LEU A 15 -3.050 -1.177 10.069 1.00 0.00 C ATOM 550 CD2 LEU A 15 -0.872 -0.279 10.903 1.00 0.00 C ATOM 0 H LEU A 15 0.192 -3.509 7.345 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.470 -2.844 10.162 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.034 -0.924 8.439 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.562 -1.417 7.737 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.953 0.433 9.208 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.567 -0.543 10.790 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.673 -1.303 9.184 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.855 -2.152 10.517 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.419 0.342 11.612 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.622 -1.231 11.371 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.045 0.231 10.606 1.00 0.00 H new ATOM 562 N GLU A 16 -2.554 -4.127 10.040 1.00 0.00 N ATOM 563 CA GLU A 16 -3.743 -4.971 10.015 1.00 0.00 C ATOM 564 C GLU A 16 -5.018 -4.134 9.963 1.00 0.00 C ATOM 565 O GLU A 16 -5.204 -3.217 10.761 1.00 0.00 O ATOM 566 CB GLU A 16 -3.766 -5.881 11.246 1.00 0.00 C ATOM 567 CG GLU A 16 -3.507 -7.338 10.930 1.00 0.00 C ATOM 568 CD GLU A 16 -2.047 -7.622 10.636 1.00 0.00 C ATOM 569 OE1 GLU A 16 -1.385 -6.756 10.026 1.00 0.00 O ATOM 570 OE2 GLU A 16 -1.566 -8.710 11.017 1.00 0.00 O1- ATOM 0 H GLU A 16 -2.219 -3.900 10.976 1.00 0.00 H new ATOM 0 HA GLU A 16 -3.703 -5.582 9.113 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -3.017 -5.534 11.958 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -4.736 -5.791 11.735 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -3.830 -7.951 11.771 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -4.110 -7.632 10.071 1.00 0.00 H new ATOM 577 N VAL A 17 -5.895 -4.467 9.021 1.00 0.00 N ATOM 578 CA VAL A 17 -7.159 -3.758 8.862 1.00 0.00 C ATOM 579 C VAL A 17 -8.212 -4.655 8.221 1.00 0.00 C ATOM 580 O VAL A 17 -8.029 -5.145 7.107 1.00 0.00 O ATOM 581 CB VAL A 17 -6.996 -2.493 8.000 1.00 0.00 C ATOM 582 CG1 VAL A 17 -6.314 -1.389 8.793 1.00 0.00 C ATOM 583 CG2 VAL A 17 -6.219 -2.807 6.730 1.00 0.00 C ATOM 0 H VAL A 17 -5.752 -5.226 8.355 1.00 0.00 H new ATOM 0 HA VAL A 17 -7.483 -3.468 9.862 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.987 -2.142 7.713 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.208 -0.503 8.167 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -6.916 -1.144 9.668 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -5.329 -1.727 9.114 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -6.114 -1.900 6.134 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -5.231 -3.185 6.992 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.755 -3.561 6.153 1.00 0.00 H new ATOM 593 N GLU A 18 -9.317 -4.866 8.929 1.00 0.00 N ATOM 594 CA GLU A 18 -10.397 -5.703 8.422 1.00 0.00 C ATOM 595 C GLU A 18 -10.931 -5.151 7.102 1.00 0.00 C ATOM 596 O GLU A 18 -11.003 -3.937 6.914 1.00 0.00 O ATOM 597 CB GLU A 18 -11.529 -5.790 9.448 1.00 0.00 C ATOM 598 CG GLU A 18 -11.220 -6.711 10.617 1.00 0.00 C ATOM 599 CD GLU A 18 -12.414 -7.550 11.028 1.00 0.00 C ATOM 600 OE1 GLU A 18 -12.947 -8.286 10.171 1.00 0.00 O ATOM 601 OE2 GLU A 18 -12.816 -7.472 12.208 1.00 0.00 O1- ATOM 0 H GLU A 18 -9.487 -4.470 9.853 1.00 0.00 H new ATOM 0 HA GLU A 18 -10.001 -6.703 8.247 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -11.740 -4.791 9.829 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -12.434 -6.139 8.950 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -10.393 -7.369 10.348 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -10.889 -6.115 11.467 1.00 0.00 H new ATOM 608 N PRO A 19 -11.314 -6.037 6.165 1.00 0.00 N ATOM 609 CA PRO A 19 -11.841 -5.624 4.861 1.00 0.00 C ATOM 610 C PRO A 19 -12.945 -4.579 4.988 1.00 0.00 C ATOM 611 O PRO A 19 -13.149 -3.763 4.089 1.00 0.00 O ATOM 612 CB PRO A 19 -12.398 -6.923 4.277 1.00 0.00 C ATOM 613 CG PRO A 19 -11.592 -7.999 4.919 1.00 0.00 C ATOM 614 CD PRO A 19 -11.264 -7.505 6.302 1.00 0.00 C ATOM 0 HA PRO A 19 -11.077 -5.156 4.241 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -13.459 -7.035 4.500 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.297 -6.945 3.192 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.152 -8.933 4.961 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -10.684 -8.198 4.350 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -11.984 -7.864 7.038 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -10.280 -7.844 6.627 1.00 0.00 H new ATOM 622 N SER A 20 -13.651 -4.608 6.114 1.00 0.00 N ATOM 623 CA SER A 20 -14.733 -3.662 6.364 1.00 0.00 C ATOM 624 C SER A 20 -14.206 -2.393 7.030 1.00 0.00 C ATOM 625 O SER A 20 -14.844 -1.342 6.974 1.00 0.00 O ATOM 626 CB SER A 20 -15.807 -4.305 7.243 1.00 0.00 C ATOM 627 OG SER A 20 -15.284 -4.657 8.512 1.00 0.00 O ATOM 0 H SER A 20 -13.493 -5.277 6.868 1.00 0.00 H new ATOM 0 HA SER A 20 -15.173 -3.390 5.404 1.00 0.00 H new ATOM 0 HB2 SER A 20 -16.640 -3.614 7.369 1.00 0.00 H new ATOM 0 HB3 SER A 20 -16.201 -5.193 6.750 1.00 0.00 H new ATOM 0 HG SER A 20 -15.990 -5.064 9.055 1.00 0.00 H new ATOM 633 N ASP A 21 -13.038 -2.498 7.661 1.00 0.00 N ATOM 634 CA ASP A 21 -12.427 -1.358 8.338 1.00 0.00 C ATOM 635 C ASP A 21 -12.302 -0.164 7.397 1.00 0.00 C ATOM 636 O ASP A 21 -11.575 -0.216 6.405 1.00 0.00 O ATOM 637 CB ASP A 21 -11.048 -1.741 8.879 1.00 0.00 C ATOM 638 CG ASP A 21 -10.807 -1.209 10.278 1.00 0.00 C ATOM 639 OD1 ASP A 21 -11.785 -1.098 11.047 1.00 0.00 O ATOM 640 OD2 ASP A 21 -9.641 -0.903 10.605 1.00 0.00 O1- ATOM 0 H ASP A 21 -12.497 -3.361 7.717 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.073 -1.074 9.169 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -10.952 -2.827 8.885 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -10.279 -1.356 8.210 1.00 0.00 H new ATOM 645 N THR A 22 -13.013 0.913 7.717 1.00 0.00 N ATOM 646 CA THR A 22 -12.977 2.120 6.901 1.00 0.00 C ATOM 647 C THR A 22 -11.560 2.676 6.821 1.00 0.00 C ATOM 648 O THR A 22 -10.692 2.305 7.612 1.00 0.00 O ATOM 649 CB THR A 22 -13.922 3.177 7.475 1.00 0.00 C ATOM 650 OG1 THR A 22 -14.014 3.056 8.883 1.00 0.00 O ATOM 651 CG2 THR A 22 -15.325 3.093 6.914 1.00 0.00 C ATOM 0 H THR A 22 -13.620 0.974 8.535 1.00 0.00 H new ATOM 0 HA THR A 22 -13.304 1.860 5.894 1.00 0.00 H new ATOM 0 HB THR A 22 -13.491 4.136 7.189 1.00 0.00 H new ATOM 0 HG1 THR A 22 -14.621 3.742 9.231 1.00 0.00 H new ATOM 0 HG21 THR A 22 -15.943 3.870 7.363 1.00 0.00 H new ATOM 0 HG22 THR A 22 -15.294 3.233 5.833 1.00 0.00 H new ATOM 0 HG23 THR A 22 -15.750 2.115 7.141 1.00 0.00 H new ATOM 659 N ILE A 23 -11.330 3.566 5.862 1.00 0.00 N ATOM 660 CA ILE A 23 -10.015 4.171 5.682 1.00 0.00 C ATOM 661 C ILE A 23 -9.544 4.856 6.961 1.00 0.00 C ATOM 662 O ILE A 23 -8.373 4.768 7.329 1.00 0.00 O ATOM 663 CB ILE A 23 -10.020 5.197 4.531 1.00 0.00 C ATOM 664 CG1 ILE A 23 -10.528 4.548 3.242 1.00 0.00 C ATOM 665 CG2 ILE A 23 -8.626 5.774 4.324 1.00 0.00 C ATOM 666 CD1 ILE A 23 -9.743 3.320 2.832 1.00 0.00 C ATOM 0 H ILE A 23 -12.036 3.884 5.198 1.00 0.00 H new ATOM 0 HA ILE A 23 -9.327 3.363 5.433 1.00 0.00 H new ATOM 0 HB ILE A 23 -10.693 6.012 4.797 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -11.575 4.273 3.371 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -10.488 5.281 2.436 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.649 6.496 3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.298 6.269 5.238 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.932 4.970 4.078 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -10.159 2.913 1.910 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.700 3.592 2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.804 2.569 3.620 1.00 0.00 H new ATOM 678 N GLU A 24 -10.464 5.540 7.634 1.00 0.00 N ATOM 679 CA GLU A 24 -10.140 6.242 8.870 1.00 0.00 C ATOM 680 C GLU A 24 -9.572 5.285 9.914 1.00 0.00 C ATOM 681 O GLU A 24 -8.610 5.613 10.606 1.00 0.00 O ATOM 682 CB GLU A 24 -11.383 6.941 9.425 1.00 0.00 C ATOM 683 CG GLU A 24 -11.087 8.286 10.068 1.00 0.00 C ATOM 684 CD GLU A 24 -11.075 8.218 11.583 1.00 0.00 C ATOM 685 OE1 GLU A 24 -10.129 7.627 12.143 1.00 0.00 O ATOM 686 OE2 GLU A 24 -12.012 8.757 12.209 1.00 0.00 O1- ATOM 0 H GLU A 24 -11.438 5.623 7.344 1.00 0.00 H new ATOM 0 HA GLU A 24 -9.380 6.990 8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -12.101 7.084 8.617 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.857 6.292 10.161 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.121 8.648 9.717 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.835 9.011 9.746 1.00 0.00 H new ATOM 693 N ASN A 25 -10.169 4.101 10.021 1.00 0.00 N ATOM 694 CA ASN A 25 -9.714 3.098 10.981 1.00 0.00 C ATOM 695 C ASN A 25 -8.307 2.621 10.635 1.00 0.00 C ATOM 696 O ASN A 25 -7.520 2.266 11.515 1.00 0.00 O ATOM 697 CB ASN A 25 -10.677 1.910 11.005 1.00 0.00 C ATOM 698 CG ASN A 25 -10.551 1.089 12.274 1.00 0.00 C ATOM 699 OD1 ASN A 25 -9.446 0.757 12.704 1.00 0.00 O ATOM 700 ND2 ASN A 25 -11.685 0.757 12.879 1.00 0.00 N ATOM 0 H ASN A 25 -10.968 3.812 9.456 1.00 0.00 H new ATOM 0 HA ASN A 25 -9.693 3.557 11.970 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.700 2.273 10.911 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.484 1.272 10.142 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.663 0.205 13.736 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.578 1.054 12.487 1.00 0.00 H new ATOM 707 N VAL A 26 -7.996 2.626 9.347 1.00 0.00 N ATOM 708 CA VAL A 26 -6.685 2.205 8.872 1.00 0.00 C ATOM 709 C VAL A 26 -5.663 3.292 9.146 1.00 0.00 C ATOM 710 O VAL A 26 -4.696 3.075 9.877 1.00 0.00 O ATOM 711 CB VAL A 26 -6.717 1.877 7.371 1.00 0.00 C ATOM 712 CG1 VAL A 26 -5.551 0.976 6.990 1.00 0.00 C ATOM 713 CG2 VAL A 26 -8.045 1.227 7.018 1.00 0.00 C ATOM 0 H VAL A 26 -8.636 2.918 8.609 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.403 1.300 9.409 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.617 2.802 6.804 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.594 0.757 5.923 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.612 1.480 7.220 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.611 0.045 7.554 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.065 0.995 5.953 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -8.164 0.308 7.592 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.860 1.911 7.256 1.00 0.00 H new ATOM 723 N LYS A 27 -5.906 4.483 8.604 1.00 0.00 N ATOM 724 CA LYS A 27 -5.020 5.610 8.857 1.00 0.00 C ATOM 725 C LYS A 27 -4.922 5.815 10.362 1.00 0.00 C ATOM 726 O LYS A 27 -3.930 6.326 10.878 1.00 0.00 O ATOM 727 CB LYS A 27 -5.543 6.877 8.179 1.00 0.00 C ATOM 728 CG LYS A 27 -5.856 6.695 6.703 1.00 0.00 C ATOM 729 CD LYS A 27 -4.658 6.150 5.941 1.00 0.00 C ATOM 730 CE LYS A 27 -5.063 5.030 4.995 1.00 0.00 C ATOM 731 NZ LYS A 27 -4.717 3.689 5.541 1.00 0.00 N1+ ATOM 0 H LYS A 27 -6.698 4.689 7.995 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.034 5.400 8.443 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -6.444 7.209 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -4.803 7.670 8.289 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -6.700 6.015 6.590 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -6.157 7.650 6.274 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.189 6.954 5.375 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.914 5.781 6.647 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -6.136 5.081 4.811 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -4.568 5.170 4.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -5.427 2.995 5.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -3.780 3.404 5.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.702 3.730 6.580 1.00 0.00 H new ATOM 745 N ALA A 28 -5.969 5.371 11.054 1.00 0.00 N ATOM 746 CA ALA A 28 -6.038 5.446 12.498 1.00 0.00 C ATOM 747 C ALA A 28 -4.924 4.608 13.107 1.00 0.00 C ATOM 748 O ALA A 28 -4.081 5.112 13.849 1.00 0.00 O ATOM 749 CB ALA A 28 -7.395 4.946 12.963 1.00 0.00 C ATOM 0 H ALA A 28 -6.791 4.950 10.621 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.912 6.479 12.821 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -7.450 5.001 14.050 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.180 5.565 12.528 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -7.530 3.912 12.645 1.00 0.00 H new ATOM 755 N LYS A 29 -4.918 3.322 12.765 1.00 0.00 N ATOM 756 CA LYS A 29 -3.895 2.410 13.255 1.00 0.00 C ATOM 757 C LYS A 29 -2.525 2.854 12.758 1.00 0.00 C ATOM 758 O LYS A 29 -1.536 2.797 13.489 1.00 0.00 O ATOM 759 CB LYS A 29 -4.185 0.981 12.792 1.00 0.00 C ATOM 760 CG LYS A 29 -5.467 0.403 13.368 1.00 0.00 C ATOM 761 CD LYS A 29 -5.668 -1.042 12.941 1.00 0.00 C ATOM 762 CE LYS A 29 -7.129 -1.336 12.643 1.00 0.00 C ATOM 763 NZ LYS A 29 -7.866 -1.779 13.859 1.00 0.00 N1+ ATOM 0 H LYS A 29 -5.610 2.891 12.152 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.903 2.428 14.345 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.246 0.966 11.704 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.349 0.340 13.073 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.437 0.461 14.456 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.317 1.002 13.040 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.066 -1.248 12.056 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.315 -1.708 13.728 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -7.603 -0.443 12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -7.195 -2.109 11.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.858 -1.969 13.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -7.430 -2.646 14.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -7.825 -1.032 14.581 1.00 0.00 H new ATOM 777 N ILE A 30 -2.480 3.314 11.509 1.00 0.00 N ATOM 778 CA ILE A 30 -1.239 3.789 10.913 1.00 0.00 C ATOM 779 C ILE A 30 -0.740 5.032 11.647 1.00 0.00 C ATOM 780 O ILE A 30 0.460 5.301 11.692 1.00 0.00 O ATOM 781 CB ILE A 30 -1.419 4.113 9.410 1.00 0.00 C ATOM 782 CG1 ILE A 30 -1.791 2.845 8.638 1.00 0.00 C ATOM 783 CG2 ILE A 30 -0.150 4.732 8.836 1.00 0.00 C ATOM 784 CD1 ILE A 30 -1.980 3.072 7.154 1.00 0.00 C ATOM 0 H ILE A 30 -3.291 3.367 10.892 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.503 2.990 11.006 1.00 0.00 H new ATOM 0 HB ILE A 30 -2.228 4.837 9.307 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -1.011 2.098 8.786 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.711 2.433 9.054 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.298 4.952 7.779 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.078 5.654 9.370 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.679 4.033 8.948 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -2.242 2.130 6.672 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -2.780 3.795 6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.054 3.455 6.724 1.00 0.00 H new ATOM 796 N GLN A 31 -1.676 5.780 12.225 1.00 0.00 N ATOM 797 CA GLN A 31 -1.345 6.991 12.963 1.00 0.00 C ATOM 798 C GLN A 31 -0.696 6.645 14.300 1.00 0.00 C ATOM 799 O GLN A 31 0.365 7.166 14.639 1.00 0.00 O ATOM 800 CB GLN A 31 -2.607 7.832 13.189 1.00 0.00 C ATOM 801 CG GLN A 31 -2.393 9.029 14.103 1.00 0.00 C ATOM 802 CD GLN A 31 -3.690 9.725 14.466 1.00 0.00 C ATOM 803 OE1 GLN A 31 -3.829 10.936 14.291 1.00 0.00 O ATOM 804 NE2 GLN A 31 -4.650 8.961 14.976 1.00 0.00 N ATOM 0 H GLN A 31 -2.673 5.566 12.195 1.00 0.00 H new ATOM 0 HA GLN A 31 -0.634 7.571 12.375 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -2.975 8.184 12.225 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -3.384 7.197 13.614 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.894 8.701 15.015 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.728 9.741 13.614 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -4.492 7.961 15.104 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -5.545 9.374 15.239 1.00 0.00 H new ATOM 813 N ASP A 32 -1.342 5.763 15.055 1.00 0.00 N ATOM 814 CA ASP A 32 -0.828 5.348 16.355 1.00 0.00 C ATOM 815 C ASP A 32 0.421 4.482 16.206 1.00 0.00 C ATOM 816 O ASP A 32 1.208 4.348 17.143 1.00 0.00 O ATOM 817 CB ASP A 32 -1.902 4.582 17.129 1.00 0.00 C ATOM 818 CG ASP A 32 -1.867 4.881 18.615 1.00 0.00 C ATOM 819 OD1 ASP A 32 -0.761 4.881 19.195 1.00 0.00 O1- ATOM 820 OD2 ASP A 32 -2.946 5.114 19.200 1.00 0.00 O ATOM 0 H ASP A 32 -2.222 5.322 14.789 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.556 6.247 16.909 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -2.884 4.839 16.733 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.765 3.512 16.973 1.00 0.00 H new ATOM 825 N LYS A 33 0.597 3.892 15.027 1.00 0.00 N ATOM 826 CA LYS A 33 1.750 3.037 14.766 1.00 0.00 C ATOM 827 C LYS A 33 2.949 3.854 14.294 1.00 0.00 C ATOM 828 O LYS A 33 3.935 4.002 15.016 1.00 0.00 O ATOM 829 CB LYS A 33 1.399 1.979 13.717 1.00 0.00 C ATOM 830 CG LYS A 33 0.930 0.661 14.315 1.00 0.00 C ATOM 831 CD LYS A 33 1.653 -0.522 13.695 1.00 0.00 C ATOM 832 CE LYS A 33 3.153 -0.445 13.930 1.00 0.00 C ATOM 833 NZ LYS A 33 3.818 -1.759 13.712 1.00 0.00 N1+ ATOM 0 H LYS A 33 -0.043 3.990 14.239 1.00 0.00 H new ATOM 0 HA LYS A 33 2.018 2.544 15.701 1.00 0.00 H new ATOM 0 HB2 LYS A 33 0.618 2.371 13.065 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.273 1.794 13.092 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.100 0.668 15.392 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -0.144 0.553 14.162 1.00 0.00 H new ATOM 0 HD2 LYS A 33 1.265 -1.449 14.117 1.00 0.00 H new ATOM 0 HD3 LYS A 33 1.453 -0.551 12.624 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.588 0.297 13.260 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.344 -0.106 14.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 4.840 -1.664 13.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.422 -2.462 14.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.658 -2.071 12.733 1.00 0.00 H new ATOM 847 N GLU A 34 2.862 4.374 13.074 1.00 0.00 N ATOM 848 CA GLU A 34 3.943 5.168 12.500 1.00 0.00 C ATOM 849 C GLU A 34 4.021 6.552 13.139 1.00 0.00 C ATOM 850 O GLU A 34 5.074 7.189 13.129 1.00 0.00 O ATOM 851 CB GLU A 34 3.753 5.303 10.988 1.00 0.00 C ATOM 852 CG GLU A 34 4.443 4.210 10.188 1.00 0.00 C ATOM 853 CD GLU A 34 5.767 4.662 9.604 1.00 0.00 C ATOM 854 OE1 GLU A 34 5.767 5.194 8.474 1.00 0.00 O1- ATOM 855 OE2 GLU A 34 6.804 4.483 10.277 1.00 0.00 O ATOM 0 H GLU A 34 2.053 4.260 12.463 1.00 0.00 H new ATOM 0 HA GLU A 34 4.880 4.649 12.703 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.687 5.289 10.762 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.135 6.272 10.667 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.610 3.345 10.830 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.786 3.886 9.381 1.00 0.00 H new ATOM 862 N GLY A 35 2.903 7.016 13.689 1.00 0.00 N ATOM 863 CA GLY A 35 2.878 8.325 14.314 1.00 0.00 C ATOM 864 C GLY A 35 2.517 9.423 13.332 1.00 0.00 C ATOM 865 O GLY A 35 2.911 10.576 13.506 1.00 0.00 O ATOM 0 H GLY A 35 2.017 6.511 13.713 1.00 0.00 H new ATOM 0 HA2 GLY A 35 2.158 8.321 15.132 1.00 0.00 H new ATOM 0 HA3 GLY A 35 3.855 8.536 14.750 1.00 0.00 H new ATOM 869 N ILE A 36 1.768 9.060 12.295 1.00 0.00 N ATOM 870 CA ILE A 36 1.355 10.017 11.276 1.00 0.00 C ATOM 871 C ILE A 36 -0.167 10.143 11.225 1.00 0.00 C ATOM 872 O ILE A 36 -0.862 9.197 10.854 1.00 0.00 O ATOM 873 CB ILE A 36 1.872 9.603 9.885 1.00 0.00 C ATOM 874 CG1 ILE A 36 3.372 9.309 9.944 1.00 0.00 C ATOM 875 CG2 ILE A 36 1.580 10.692 8.863 1.00 0.00 C ATOM 876 CD1 ILE A 36 3.893 8.576 8.730 1.00 0.00 C ATOM 0 H ILE A 36 1.435 8.109 12.139 1.00 0.00 H new ATOM 0 HA ILE A 36 1.786 10.981 11.547 1.00 0.00 H new ATOM 0 HB ILE A 36 1.353 8.696 9.576 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.914 10.249 10.051 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.583 8.716 10.834 1.00 0.00 H new ATOM 0 HG21 ILE A 36 1.952 10.383 7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 36 0.504 10.858 8.806 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.074 11.616 9.164 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.963 8.402 8.842 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.378 7.620 8.633 1.00 0.00 H new ATOM 0 HD13 ILE A 36 3.714 9.176 7.838 1.00 0.00 H new ATOM 888 N PRO A 37 -0.711 11.318 11.596 1.00 0.00 N ATOM 889 CA PRO A 37 -2.159 11.553 11.586 1.00 0.00 C ATOM 890 C PRO A 37 -2.803 11.163 10.258 1.00 0.00 C ATOM 891 O PRO A 37 -2.134 11.115 9.225 1.00 0.00 O ATOM 892 CB PRO A 37 -2.275 13.060 11.815 1.00 0.00 C ATOM 893 CG PRO A 37 -1.039 13.425 12.560 1.00 0.00 C ATOM 894 CD PRO A 37 0.038 12.505 12.052 1.00 0.00 C ATOM 0 HA PRO A 37 -2.674 10.953 12.336 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.342 13.600 10.871 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -3.170 13.306 12.387 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -0.774 14.468 12.389 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.181 13.304 13.634 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.604 12.960 11.239 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.753 12.252 12.835 1.00 0.00 H new ATOM 902 N PRO A 38 -4.116 10.879 10.268 1.00 0.00 N ATOM 903 CA PRO A 38 -4.852 10.492 9.064 1.00 0.00 C ATOM 904 C PRO A 38 -5.258 11.695 8.218 1.00 0.00 C ATOM 905 O PRO A 38 -6.429 11.858 7.873 1.00 0.00 O ATOM 906 CB PRO A 38 -6.084 9.794 9.633 1.00 0.00 C ATOM 907 CG PRO A 38 -6.335 10.478 10.934 1.00 0.00 C ATOM 908 CD PRO A 38 -4.988 10.910 11.459 1.00 0.00 C ATOM 0 HA PRO A 38 -4.257 9.871 8.395 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -6.939 9.889 8.963 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -5.906 8.728 9.773 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -6.993 11.337 10.800 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -6.828 9.806 11.637 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -5.031 11.907 11.897 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.627 10.236 12.236 1.00 0.00 H new ATOM 916 N ASP A 39 -4.283 12.536 7.887 1.00 0.00 N ATOM 917 CA ASP A 39 -4.537 13.724 7.081 1.00 0.00 C ATOM 918 C ASP A 39 -3.238 14.266 6.493 1.00 0.00 C ATOM 919 O ASP A 39 -3.177 14.614 5.313 1.00 0.00 O ATOM 920 CB ASP A 39 -5.217 14.804 7.926 1.00 0.00 C ATOM 921 CG ASP A 39 -6.203 15.630 7.124 1.00 0.00 C ATOM 922 OD1 ASP A 39 -5.768 16.317 6.176 1.00 0.00 O1- ATOM 923 OD2 ASP A 39 -7.409 15.590 7.444 1.00 0.00 O ATOM 0 H ASP A 39 -3.309 12.416 8.165 1.00 0.00 H new ATOM 0 HA ASP A 39 -5.199 13.444 6.262 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.736 14.334 8.762 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.458 15.461 8.351 1.00 0.00 H new ATOM 928 N GLN A 40 -2.202 14.330 7.322 1.00 0.00 N ATOM 929 CA GLN A 40 -0.900 14.826 6.886 1.00 0.00 C ATOM 930 C GLN A 40 -0.369 14.009 5.712 1.00 0.00 C ATOM 931 O GLN A 40 0.450 14.490 4.928 1.00 0.00 O ATOM 932 CB GLN A 40 0.098 14.779 8.044 1.00 0.00 C ATOM 933 CG GLN A 40 0.034 15.995 8.954 1.00 0.00 C ATOM 934 CD GLN A 40 0.752 17.197 8.372 1.00 0.00 C ATOM 935 OE1 GLN A 40 0.732 17.421 7.161 1.00 0.00 O ATOM 936 NE2 GLN A 40 1.392 17.978 9.234 1.00 0.00 N ATOM 0 H GLN A 40 -2.238 14.045 8.301 1.00 0.00 H new ATOM 0 HA GLN A 40 -1.024 15.859 6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -0.087 13.883 8.636 1.00 0.00 H new ATOM 0 HB3 GLN A 40 1.106 14.691 7.640 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -1.009 16.253 9.137 1.00 0.00 H new ATOM 0 HG3 GLN A 40 0.475 15.745 9.919 1.00 0.00 H new ATOM 0 HE21 GLN A 40 1.382 17.755 10.229 1.00 0.00 H new ATOM 0 HE22 GLN A 40 1.893 18.801 8.901 1.00 0.00 H new ATOM 945 N GLN A 41 -0.836 12.769 5.597 1.00 0.00 N ATOM 946 CA GLN A 41 -0.405 11.886 4.521 1.00 0.00 C ATOM 947 C GLN A 41 -1.592 11.428 3.680 1.00 0.00 C ATOM 948 O GLN A 41 -2.641 11.068 4.214 1.00 0.00 O ATOM 949 CB GLN A 41 0.324 10.671 5.096 1.00 0.00 C ATOM 950 CG GLN A 41 -0.532 9.841 6.039 1.00 0.00 C ATOM 951 CD GLN A 41 0.286 8.868 6.864 1.00 0.00 C ATOM 952 OE1 GLN A 41 1.502 8.771 6.704 1.00 0.00 O ATOM 953 NE2 GLN A 41 -0.380 8.140 7.753 1.00 0.00 N ATOM 0 H GLN A 41 -1.513 12.354 6.237 1.00 0.00 H new ATOM 0 HA GLN A 41 0.276 12.444 3.879 1.00 0.00 H new ATOM 0 HB2 GLN A 41 0.664 10.039 4.275 1.00 0.00 H new ATOM 0 HB3 GLN A 41 1.213 11.009 5.628 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -1.080 10.506 6.706 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -1.272 9.288 5.460 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.389 8.253 7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 41 0.117 7.468 8.337 1.00 0.00 H new ATOM 962 N ARG A 42 -1.418 11.440 2.363 1.00 0.00 N ATOM 963 CA ARG A 42 -2.473 11.021 1.448 1.00 0.00 C ATOM 964 C ARG A 42 -2.235 9.593 0.968 1.00 0.00 C ATOM 965 O ARG A 42 -1.317 9.335 0.189 1.00 0.00 O ATOM 966 CB ARG A 42 -2.550 11.971 0.251 1.00 0.00 C ATOM 967 CG ARG A 42 -2.472 13.439 0.635 1.00 0.00 C ATOM 968 CD ARG A 42 -2.357 14.330 -0.592 1.00 0.00 C ATOM 969 NE ARG A 42 -3.666 14.704 -1.121 1.00 0.00 N ATOM 970 CZ ARG A 42 -4.490 15.563 -0.524 1.00 0.00 C ATOM 971 NH1 ARG A 42 -4.143 16.139 0.620 1.00 0.00 N1+ ATOM 972 NH2 ARG A 42 -5.662 15.848 -1.074 1.00 0.00 N ATOM 0 H ARG A 42 -0.556 11.736 1.905 1.00 0.00 H new ATOM 0 HA ARG A 42 -3.421 11.053 1.985 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.738 11.740 -0.438 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -3.483 11.793 -0.284 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -3.359 13.715 1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.613 13.601 1.286 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -1.799 15.230 -0.335 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -1.788 13.812 -1.364 1.00 0.00 H new ATOM 0 HE ARG A 42 -3.967 14.282 -2.000 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -3.241 15.924 1.046 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -4.778 16.796 1.073 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -5.932 15.409 -1.954 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -6.293 16.506 -0.617 1.00 0.00 H new ATOM 986 N LEU A 43 -3.064 8.669 1.441 1.00 0.00 N ATOM 987 CA LEU A 43 -2.942 7.266 1.065 1.00 0.00 C ATOM 988 C LEU A 43 -3.747 6.971 -0.198 1.00 0.00 C ATOM 989 O LEU A 43 -4.942 7.257 -0.264 1.00 0.00 O ATOM 990 CB LEU A 43 -3.418 6.369 2.217 1.00 0.00 C ATOM 991 CG LEU A 43 -2.728 4.999 2.365 1.00 0.00 C ATOM 992 CD1 LEU A 43 -1.672 4.769 1.296 1.00 0.00 C ATOM 993 CD2 LEU A 43 -2.117 4.866 3.749 1.00 0.00 C ATOM 0 H LEU A 43 -3.829 8.867 2.086 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.893 7.055 0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.287 6.917 3.150 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.488 6.199 2.095 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.493 4.233 2.233 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.214 3.791 1.442 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.137 4.809 0.311 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.907 5.542 1.368 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.633 3.894 3.841 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.379 5.655 3.898 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.900 4.954 4.502 1.00 0.00 H new ATOM 1005 N ILE A 44 -3.084 6.399 -1.198 1.00 0.00 N ATOM 1006 CA ILE A 44 -3.737 6.066 -2.458 1.00 0.00 C ATOM 1007 C ILE A 44 -3.563 4.589 -2.793 1.00 0.00 C ATOM 1008 O ILE A 44 -2.556 3.976 -2.436 1.00 0.00 O ATOM 1009 CB ILE A 44 -3.182 6.911 -3.621 1.00 0.00 C ATOM 1010 CG1 ILE A 44 -3.155 8.392 -3.238 1.00 0.00 C ATOM 1011 CG2 ILE A 44 -4.016 6.698 -4.875 1.00 0.00 C ATOM 1012 CD1 ILE A 44 -2.609 9.288 -4.328 1.00 0.00 C ATOM 0 H ILE A 44 -2.094 6.156 -1.160 1.00 0.00 H new ATOM 0 HA ILE A 44 -4.797 6.287 -2.331 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.161 6.591 -3.828 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -4.166 8.713 -2.988 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -2.550 8.516 -2.340 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.612 7.301 -5.688 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -3.988 5.645 -5.156 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -5.047 6.994 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.619 10.323 -3.987 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.586 8.994 -4.563 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -3.228 9.194 -5.220 1.00 0.00 H new ATOM 1024 N PHE A 45 -4.549 4.022 -3.480 1.00 0.00 N ATOM 1025 CA PHE A 45 -4.503 2.616 -3.864 1.00 0.00 C ATOM 1026 C PHE A 45 -5.329 2.366 -5.121 1.00 0.00 C ATOM 1027 O PHE A 45 -6.469 2.819 -5.228 1.00 0.00 O ATOM 1028 CB PHE A 45 -5.015 1.738 -2.721 1.00 0.00 C ATOM 1029 CG PHE A 45 -4.949 0.267 -3.020 1.00 0.00 C ATOM 1030 CD1 PHE A 45 -3.742 -0.411 -2.966 1.00 0.00 C ATOM 1031 CD2 PHE A 45 -6.094 -0.437 -3.355 1.00 0.00 C ATOM 1032 CE1 PHE A 45 -3.678 -1.764 -3.240 1.00 0.00 C ATOM 1033 CE2 PHE A 45 -6.037 -1.790 -3.631 1.00 0.00 C ATOM 1034 CZ PHE A 45 -4.827 -2.454 -3.573 1.00 0.00 C ATOM 0 H PHE A 45 -5.390 4.514 -3.782 1.00 0.00 H new ATOM 0 HA PHE A 45 -3.466 2.358 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -4.431 1.945 -1.824 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -6.047 2.010 -2.499 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -2.840 0.124 -2.707 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -7.042 0.078 -3.401 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.731 -2.281 -3.194 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.937 -2.327 -3.892 1.00 0.00 H new ATOM 0 HZ PHE A 45 -4.780 -3.511 -3.788 1.00 0.00 H new ATOM 1044 N ALA A 46 -4.746 1.642 -6.072 1.00 0.00 N ATOM 1045 CA ALA A 46 -5.428 1.330 -7.323 1.00 0.00 C ATOM 1046 C ALA A 46 -5.886 2.600 -8.033 1.00 0.00 C ATOM 1047 O ALA A 46 -6.990 2.656 -8.576 1.00 0.00 O ATOM 1048 CB ALA A 46 -6.612 0.411 -7.062 1.00 0.00 C ATOM 0 H ALA A 46 -3.803 1.261 -6.000 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.721 0.818 -7.976 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -7.112 0.186 -8.004 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -6.260 -0.515 -6.607 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -7.313 0.903 -6.387 1.00 0.00 H new ATOM 1054 N GLY A 47 -5.032 3.617 -8.024 1.00 0.00 N ATOM 1055 CA GLY A 47 -5.368 4.873 -8.669 1.00 0.00 C ATOM 1056 C GLY A 47 -6.577 5.541 -8.044 1.00 0.00 C ATOM 1057 O GLY A 47 -7.270 6.321 -8.697 1.00 0.00 O ATOM 0 H GLY A 47 -4.113 3.595 -7.582 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -4.514 5.547 -8.611 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.562 4.694 -9.727 1.00 0.00 H new ATOM 1061 N LYS A 48 -6.831 5.236 -6.775 1.00 0.00 N ATOM 1062 CA LYS A 48 -7.964 5.814 -6.062 1.00 0.00 C ATOM 1063 C LYS A 48 -7.556 6.253 -4.660 1.00 0.00 C ATOM 1064 O LYS A 48 -7.195 5.428 -3.820 1.00 0.00 O ATOM 1065 CB LYS A 48 -9.111 4.804 -5.979 1.00 0.00 C ATOM 1066 CG LYS A 48 -9.588 4.314 -7.336 1.00 0.00 C ATOM 1067 CD LYS A 48 -10.657 3.242 -7.196 1.00 0.00 C ATOM 1068 CE LYS A 48 -10.070 1.847 -7.344 1.00 0.00 C ATOM 1069 NZ LYS A 48 -11.130 0.805 -7.436 1.00 0.00 N1+ ATOM 0 H LYS A 48 -6.267 4.592 -6.220 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.301 6.691 -6.615 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.789 3.948 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.949 5.260 -5.452 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -9.985 5.153 -7.908 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.743 3.916 -7.898 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -11.140 3.333 -6.223 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.428 3.395 -7.951 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.445 1.809 -8.236 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.424 1.633 -6.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.689 -0.131 -7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.711 0.824 -6.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.732 0.994 -8.263 1.00 0.00 H new ATOM 1083 N GLN A 49 -7.616 7.557 -4.413 1.00 0.00 N ATOM 1084 CA GLN A 49 -7.252 8.106 -3.112 1.00 0.00 C ATOM 1085 C GLN A 49 -8.134 7.527 -2.010 1.00 0.00 C ATOM 1086 O GLN A 49 -9.358 7.652 -2.051 1.00 0.00 O ATOM 1087 CB GLN A 49 -7.371 9.631 -3.127 1.00 0.00 C ATOM 1088 CG GLN A 49 -8.714 10.132 -3.634 1.00 0.00 C ATOM 1089 CD GLN A 49 -8.668 10.546 -5.092 1.00 0.00 C ATOM 1090 OE1 GLN A 49 -7.602 10.832 -5.635 1.00 0.00 O ATOM 1091 NE2 GLN A 49 -9.831 10.581 -5.734 1.00 0.00 N ATOM 0 H GLN A 49 -7.913 8.253 -5.096 1.00 0.00 H new ATOM 0 HA GLN A 49 -6.217 7.831 -2.907 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.209 10.010 -2.118 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -6.579 10.043 -3.753 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -9.462 9.349 -3.506 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.033 10.980 -3.029 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -10.691 10.336 -5.244 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.863 10.853 -6.716 1.00 0.00 H new ATOM 1100 N LEU A 50 -7.503 6.894 -1.026 1.00 0.00 N ATOM 1101 CA LEU A 50 -8.230 6.297 0.089 1.00 0.00 C ATOM 1102 C LEU A 50 -9.020 7.358 0.849 1.00 0.00 C ATOM 1103 O LEU A 50 -8.536 7.924 1.829 1.00 0.00 O ATOM 1104 CB LEU A 50 -7.258 5.588 1.035 1.00 0.00 C ATOM 1105 CG LEU A 50 -6.966 4.124 0.694 1.00 0.00 C ATOM 1106 CD1 LEU A 50 -6.624 3.966 -0.779 1.00 0.00 C ATOM 1107 CD2 LEU A 50 -5.844 3.590 1.562 1.00 0.00 C ATOM 0 H LEU A 50 -6.490 6.781 -0.978 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.932 5.566 -0.312 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -6.317 6.137 1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -7.661 5.635 2.047 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.866 3.543 0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -6.421 2.917 -0.995 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.463 4.305 -1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -5.742 4.562 -1.014 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -5.650 2.548 1.306 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.942 4.179 1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -6.132 3.658 2.611 1.00 0.00 H new ATOM 1119 N GLU A 51 -10.238 7.624 0.388 1.00 0.00 N ATOM 1120 CA GLU A 51 -11.096 8.620 1.021 1.00 0.00 C ATOM 1121 C GLU A 51 -11.656 8.100 2.341 1.00 0.00 C ATOM 1122 O GLU A 51 -11.973 6.918 2.470 1.00 0.00 O ATOM 1123 CB GLU A 51 -12.244 9.003 0.085 1.00 0.00 C ATOM 1124 CG GLU A 51 -11.812 9.211 -1.358 1.00 0.00 C ATOM 1125 CD GLU A 51 -12.884 9.877 -2.197 1.00 0.00 C ATOM 1126 OE1 GLU A 51 -13.816 9.171 -2.638 1.00 0.00 O ATOM 1127 OE2 GLU A 51 -12.793 11.103 -2.415 1.00 0.00 O1- ATOM 0 H GLU A 51 -10.653 7.164 -0.422 1.00 0.00 H new ATOM 0 HA GLU A 51 -10.491 9.503 1.227 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -13.004 8.223 0.119 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -12.710 9.918 0.451 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -10.909 9.821 -1.379 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -11.557 8.248 -1.799 1.00 0.00 H new ATOM 1134 N ASP A 52 -11.777 8.993 3.318 1.00 0.00 N ATOM 1135 CA ASP A 52 -12.302 8.626 4.628 1.00 0.00 C ATOM 1136 C ASP A 52 -13.737 8.122 4.515 1.00 0.00 C ATOM 1137 O ASP A 52 -14.640 8.869 4.138 1.00 0.00 O ATOM 1138 CB ASP A 52 -12.242 9.823 5.578 1.00 0.00 C ATOM 1139 CG ASP A 52 -12.834 11.078 4.967 1.00 0.00 C ATOM 1140 OD1 ASP A 52 -12.184 11.670 4.080 1.00 0.00 O ATOM 1141 OD2 ASP A 52 -13.949 11.468 5.374 1.00 0.00 O1- ATOM 0 H ASP A 52 -11.519 9.976 3.227 1.00 0.00 H new ATOM 0 HA ASP A 52 -11.684 7.823 5.029 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.778 9.582 6.496 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -11.205 10.012 5.855 1.00 0.00 H new ATOM 1146 N GLY A 53 -13.939 6.851 4.844 1.00 0.00 N ATOM 1147 CA GLY A 53 -15.266 6.267 4.772 1.00 0.00 C ATOM 1148 C GLY A 53 -15.372 5.193 3.707 1.00 0.00 C ATOM 1149 O GLY A 53 -16.462 4.910 3.209 1.00 0.00 O ATOM 0 H GLY A 53 -13.207 6.214 5.159 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.524 5.840 5.741 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -15.994 7.052 4.566 1.00 0.00 H new ATOM 1153 N ARG A 54 -14.239 4.592 3.357 1.00 0.00 N ATOM 1154 CA ARG A 54 -14.210 3.542 2.345 1.00 0.00 C ATOM 1155 C ARG A 54 -13.637 2.251 2.920 1.00 0.00 C ATOM 1156 O ARG A 54 -12.759 2.280 3.783 1.00 0.00 O ATOM 1157 CB ARG A 54 -13.381 3.989 1.139 1.00 0.00 C ATOM 1158 CG ARG A 54 -14.146 4.877 0.171 1.00 0.00 C ATOM 1159 CD ARG A 54 -14.864 4.057 -0.888 1.00 0.00 C ATOM 1160 NE ARG A 54 -14.821 4.699 -2.200 1.00 0.00 N ATOM 1161 CZ ARG A 54 -15.445 5.839 -2.488 1.00 0.00 C ATOM 1162 NH1 ARG A 54 -16.160 6.465 -1.561 1.00 0.00 N1+ ATOM 1163 NH2 ARG A 54 -15.354 6.354 -3.706 1.00 0.00 N ATOM 0 H ARG A 54 -13.329 4.814 3.760 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.234 3.353 2.022 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.500 4.525 1.493 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.025 3.107 0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.871 5.477 0.721 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -13.457 5.571 -0.310 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.408 3.069 -0.953 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.902 3.910 -0.590 1.00 0.00 H new ATOM 0 HE ARG A 54 -14.281 4.247 -2.938 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.233 6.073 -0.622 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.636 7.338 -1.787 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -14.806 5.877 -4.422 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -15.832 7.227 -3.927 1.00 0.00 H new ATOM 1177 N THR A 55 -14.139 1.120 2.436 1.00 0.00 N ATOM 1178 CA THR A 55 -13.677 -0.182 2.904 1.00 0.00 C ATOM 1179 C THR A 55 -12.746 -0.832 1.885 1.00 0.00 C ATOM 1180 O THR A 55 -12.890 -0.630 0.680 1.00 0.00 O ATOM 1181 CB THR A 55 -14.869 -1.100 3.180 1.00 0.00 C ATOM 1182 OG1 THR A 55 -15.507 -1.469 1.970 1.00 0.00 O ATOM 1183 CG2 THR A 55 -15.913 -0.471 4.077 1.00 0.00 C ATOM 0 H THR A 55 -14.865 1.078 1.721 1.00 0.00 H new ATOM 0 HA THR A 55 -13.121 -0.029 3.829 1.00 0.00 H new ATOM 0 HB THR A 55 -14.453 -1.970 3.689 1.00 0.00 H new ATOM 0 HG1 THR A 55 -16.285 -2.031 2.169 1.00 0.00 H new ATOM 0 HG21 THR A 55 -16.731 -1.175 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 55 -15.463 -0.219 5.037 1.00 0.00 H new ATOM 0 HG23 THR A 55 -16.298 0.435 3.608 1.00 0.00 H new ATOM 1191 N LEU A 56 -11.791 -1.614 2.380 1.00 0.00 N ATOM 1192 CA LEU A 56 -10.833 -2.297 1.518 1.00 0.00 C ATOM 1193 C LEU A 56 -11.547 -3.177 0.498 1.00 0.00 C ATOM 1194 O LEU A 56 -11.061 -3.371 -0.617 1.00 0.00 O ATOM 1195 CB LEU A 56 -9.876 -3.140 2.361 1.00 0.00 C ATOM 1196 CG LEU A 56 -8.888 -2.333 3.207 1.00 0.00 C ATOM 1197 CD1 LEU A 56 -9.461 -2.058 4.580 1.00 0.00 C ATOM 1198 CD2 LEU A 56 -7.565 -3.060 3.351 1.00 0.00 C ATOM 0 H LEU A 56 -11.660 -1.790 3.376 1.00 0.00 H new ATOM 0 HA LEU A 56 -10.262 -1.542 0.977 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -10.462 -3.779 3.022 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.313 -3.798 1.699 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.714 -1.388 2.692 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.743 -1.483 5.165 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -10.386 -1.490 4.481 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.667 -3.002 5.084 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.885 -2.461 3.957 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -7.730 -4.023 3.834 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -7.128 -3.219 2.365 1.00 0.00 H new ATOM 1210 N SER A 57 -12.704 -3.705 0.884 1.00 0.00 N ATOM 1211 CA SER A 57 -13.486 -4.560 0.003 1.00 0.00 C ATOM 1212 C SER A 57 -13.836 -3.831 -1.292 1.00 0.00 C ATOM 1213 O SER A 57 -13.996 -4.451 -2.343 1.00 0.00 O ATOM 1214 CB SER A 57 -14.759 -5.023 0.717 1.00 0.00 C ATOM 1215 OG SER A 57 -15.889 -4.269 0.307 1.00 0.00 O ATOM 0 H SER A 57 -13.120 -3.554 1.803 1.00 0.00 H new ATOM 0 HA SER A 57 -12.886 -5.434 -0.253 1.00 0.00 H new ATOM 0 HB2 SER A 57 -14.930 -6.079 0.509 1.00 0.00 H new ATOM 0 HB3 SER A 57 -14.628 -4.927 1.795 1.00 0.00 H new ATOM 0 HG SER A 57 -15.870 -3.390 0.740 1.00 0.00 H new ATOM 1221 N ASP A 58 -13.952 -2.509 -1.207 1.00 0.00 N ATOM 1222 CA ASP A 58 -14.280 -1.693 -2.370 1.00 0.00 C ATOM 1223 C ASP A 58 -13.015 -1.248 -3.096 1.00 0.00 C ATOM 1224 O ASP A 58 -12.950 -1.276 -4.325 1.00 0.00 O ATOM 1225 CB ASP A 58 -15.096 -0.470 -1.947 1.00 0.00 C ATOM 1226 CG ASP A 58 -15.705 0.257 -3.130 1.00 0.00 C ATOM 1227 OD1 ASP A 58 -15.040 1.160 -3.679 1.00 0.00 O ATOM 1228 OD2 ASP A 58 -16.848 -0.078 -3.508 1.00 0.00 O1- ATOM 0 H ASP A 58 -13.824 -1.980 -0.344 1.00 0.00 H new ATOM 0 HA ASP A 58 -14.875 -2.300 -3.053 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -15.890 -0.783 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.456 0.216 -1.393 1.00 0.00 H new ATOM 1233 N TYR A 59 -12.009 -0.839 -2.328 1.00 0.00 N ATOM 1234 CA TYR A 59 -10.745 -0.389 -2.901 1.00 0.00 C ATOM 1235 C TYR A 59 -9.944 -1.562 -3.466 1.00 0.00 C ATOM 1236 O TYR A 59 -8.946 -1.365 -4.158 1.00 0.00 O ATOM 1237 CB TYR A 59 -9.918 0.347 -1.846 1.00 0.00 C ATOM 1238 CG TYR A 59 -10.219 1.827 -1.768 1.00 0.00 C ATOM 1239 CD1 TYR A 59 -10.321 2.595 -2.922 1.00 0.00 C ATOM 1240 CD2 TYR A 59 -10.402 2.455 -0.543 1.00 0.00 C ATOM 1241 CE1 TYR A 59 -10.597 3.947 -2.856 1.00 0.00 C ATOM 1242 CE2 TYR A 59 -10.679 3.807 -0.470 1.00 0.00 C ATOM 1243 CZ TYR A 59 -10.775 4.548 -1.628 1.00 0.00 C ATOM 1244 OH TYR A 59 -11.050 5.895 -1.559 1.00 0.00 O ATOM 0 H TYR A 59 -12.045 -0.810 -1.309 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.973 0.294 -3.720 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -10.102 -0.105 -0.871 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.859 0.211 -2.066 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -10.182 2.127 -3.886 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.327 1.878 0.367 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.673 4.530 -3.762 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -10.820 4.281 0.490 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.424 6.386 -2.130 1.00 0.00 H new ATOM 1254 N ASN A 60 -10.388 -2.783 -3.171 1.00 0.00 N ATOM 1255 CA ASN A 60 -9.714 -3.985 -3.654 1.00 0.00 C ATOM 1256 C ASN A 60 -8.394 -4.208 -2.923 1.00 0.00 C ATOM 1257 O ASN A 60 -7.450 -4.763 -3.486 1.00 0.00 O ATOM 1258 CB ASN A 60 -9.465 -3.893 -5.162 1.00 0.00 C ATOM 1259 CG ASN A 60 -9.642 -5.227 -5.861 1.00 0.00 C ATOM 1260 OD1 ASN A 60 -10.209 -6.164 -5.299 1.00 0.00 O ATOM 1261 ND2 ASN A 60 -9.156 -5.319 -7.093 1.00 0.00 N ATOM 0 H ASN A 60 -11.213 -2.965 -2.599 1.00 0.00 H new ATOM 0 HA ASN A 60 -10.367 -4.834 -3.453 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -10.150 -3.165 -5.597 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -8.454 -3.525 -5.339 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -9.245 -6.192 -7.613 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -8.693 -4.516 -7.520 1.00 0.00 H new ATOM 1268 N ILE A 61 -8.334 -3.780 -1.666 1.00 0.00 N ATOM 1269 CA ILE A 61 -7.128 -3.944 -0.865 1.00 0.00 C ATOM 1270 C ILE A 61 -7.098 -5.317 -0.203 1.00 0.00 C ATOM 1271 O ILE A 61 -7.756 -5.542 0.813 1.00 0.00 O ATOM 1272 CB ILE A 61 -7.011 -2.860 0.224 1.00 0.00 C ATOM 1273 CG1 ILE A 61 -7.267 -1.474 -0.369 1.00 0.00 C ATOM 1274 CG2 ILE A 61 -5.638 -2.915 0.875 1.00 0.00 C ATOM 1275 CD1 ILE A 61 -7.418 -0.393 0.678 1.00 0.00 C ATOM 0 H ILE A 61 -9.104 -3.319 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.283 -3.846 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.766 -3.051 0.987 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.444 -1.213 -1.034 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.170 -1.508 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.568 -2.144 1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.490 -3.894 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.870 -2.746 0.120 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.597 0.565 0.189 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.259 -0.632 1.329 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.506 -0.332 1.272 1.00 0.00 H new ATOM 1287 N GLN A 62 -6.332 -6.234 -0.786 1.00 0.00 N ATOM 1288 CA GLN A 62 -6.219 -7.587 -0.254 1.00 0.00 C ATOM 1289 C GLN A 62 -5.152 -7.660 0.833 1.00 0.00 C ATOM 1290 O GLN A 62 -4.607 -6.639 1.252 1.00 0.00 O ATOM 1291 CB GLN A 62 -5.887 -8.572 -1.377 1.00 0.00 C ATOM 1292 CG GLN A 62 -6.727 -8.374 -2.628 1.00 0.00 C ATOM 1293 CD GLN A 62 -8.177 -8.766 -2.425 1.00 0.00 C ATOM 1294 OE1 GLN A 62 -8.476 -9.863 -1.954 1.00 0.00 O ATOM 1295 NE2 GLN A 62 -9.088 -7.867 -2.781 1.00 0.00 N ATOM 0 H GLN A 62 -5.780 -6.064 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.178 -7.857 0.187 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.833 -8.472 -1.637 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.029 -9.589 -1.011 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.676 -7.329 -2.933 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -6.305 -8.964 -3.441 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.795 -6.970 -3.168 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -10.080 -8.074 -2.668 1.00 0.00 H new ATOM 1304 N LYS A 63 -4.859 -8.875 1.286 1.00 0.00 N ATOM 1305 CA LYS A 63 -3.857 -9.083 2.325 1.00 0.00 C ATOM 1306 C LYS A 63 -2.459 -8.769 1.803 1.00 0.00 C ATOM 1307 O LYS A 63 -2.138 -9.049 0.648 1.00 0.00 O ATOM 1308 CB LYS A 63 -3.914 -10.524 2.838 1.00 0.00 C ATOM 1309 CG LYS A 63 -3.483 -11.556 1.808 1.00 0.00 C ATOM 1310 CD LYS A 63 -4.174 -12.888 2.030 1.00 0.00 C ATOM 1311 CE LYS A 63 -5.465 -12.988 1.234 1.00 0.00 C ATOM 1312 NZ LYS A 63 -5.281 -13.758 -0.028 1.00 0.00 N1+ ATOM 0 H LYS A 63 -5.301 -9.730 0.950 1.00 0.00 H new ATOM 0 HA LYS A 63 -4.077 -8.404 3.149 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.276 -10.613 3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -4.932 -10.746 3.159 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -3.711 -11.189 0.807 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -2.403 -11.693 1.859 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.504 -13.698 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -4.389 -13.015 3.091 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -6.231 -13.467 1.843 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -5.825 -11.986 0.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.184 -13.803 -0.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -4.568 -13.287 -0.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.962 -14.722 0.197 1.00 0.00 H new ATOM 1326 N GLU A 64 -1.631 -8.184 2.663 1.00 0.00 N ATOM 1327 CA GLU A 64 -0.265 -7.830 2.291 1.00 0.00 C ATOM 1328 C GLU A 64 -0.249 -6.921 1.065 1.00 0.00 C ATOM 1329 O GLU A 64 0.733 -6.880 0.324 1.00 0.00 O ATOM 1330 CB GLU A 64 0.555 -9.091 2.016 1.00 0.00 C ATOM 1331 CG GLU A 64 0.907 -9.875 3.269 1.00 0.00 C ATOM 1332 CD GLU A 64 1.809 -11.059 2.983 1.00 0.00 C ATOM 1333 OE1 GLU A 64 2.991 -10.837 2.645 1.00 0.00 O ATOM 1334 OE2 GLU A 64 1.334 -12.208 3.097 1.00 0.00 O1- ATOM 0 H GLU A 64 -1.882 -7.945 3.622 1.00 0.00 H new ATOM 0 HA GLU A 64 0.181 -7.289 3.126 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.004 -9.737 1.339 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.475 -8.811 1.503 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.399 -9.212 3.981 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.010 -10.227 3.742 1.00 0.00 H new ATOM 1341 N SER A 65 -1.342 -6.193 0.857 1.00 0.00 N ATOM 1342 CA SER A 65 -1.449 -5.286 -0.279 1.00 0.00 C ATOM 1343 C SER A 65 -0.380 -4.202 -0.208 1.00 0.00 C ATOM 1344 O SER A 65 0.446 -4.191 0.705 1.00 0.00 O ATOM 1345 CB SER A 65 -2.838 -4.646 -0.319 1.00 0.00 C ATOM 1346 OG SER A 65 -3.724 -5.399 -1.131 1.00 0.00 O ATOM 0 H SER A 65 -2.165 -6.214 1.460 1.00 0.00 H new ATOM 0 HA SER A 65 -1.297 -5.864 -1.190 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.238 -4.575 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.762 -3.629 -0.704 1.00 0.00 H new ATOM 0 HG SER A 65 -4.172 -4.803 -1.766 1.00 0.00 H new ATOM 1352 N THR A 66 -0.399 -3.293 -1.176 1.00 0.00 N ATOM 1353 CA THR A 66 0.572 -2.205 -1.220 1.00 0.00 C ATOM 1354 C THR A 66 -0.126 -0.857 -1.367 1.00 0.00 C ATOM 1355 O THR A 66 -0.515 -0.465 -2.468 1.00 0.00 O ATOM 1356 CB THR A 66 1.559 -2.416 -2.371 1.00 0.00 C ATOM 1357 OG1 THR A 66 1.133 -3.472 -3.214 1.00 0.00 O ATOM 1358 CG2 THR A 66 2.960 -2.741 -1.900 1.00 0.00 C ATOM 0 H THR A 66 -1.075 -3.287 -1.940 1.00 0.00 H new ATOM 0 HA THR A 66 1.122 -2.205 -0.279 1.00 0.00 H new ATOM 0 HB THR A 66 1.582 -1.469 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 66 1.777 -3.588 -3.943 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.611 -2.879 -2.763 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.337 -1.922 -1.288 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.942 -3.657 -1.309 1.00 0.00 H new ATOM 1366 N LEU A 67 -0.278 -0.151 -0.252 1.00 0.00 N ATOM 1367 CA LEU A 67 -0.926 1.156 -0.260 1.00 0.00 C ATOM 1368 C LEU A 67 0.109 2.272 -0.374 1.00 0.00 C ATOM 1369 O LEU A 67 1.011 2.382 0.457 1.00 0.00 O ATOM 1370 CB LEU A 67 -1.767 1.342 1.008 1.00 0.00 C ATOM 1371 CG LEU A 67 -2.787 0.238 1.286 1.00 0.00 C ATOM 1372 CD1 LEU A 67 -3.770 0.678 2.360 1.00 0.00 C ATOM 1373 CD2 LEU A 67 -3.526 -0.150 0.012 1.00 0.00 C ATOM 0 H LEU A 67 0.038 -0.461 0.667 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.583 1.206 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.094 1.415 1.862 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -2.296 2.292 0.937 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.249 -0.639 1.648 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.489 -0.121 2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.229 0.899 3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -4.298 1.571 2.026 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -4.246 -0.937 0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -4.050 0.720 -0.384 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.811 -0.511 -0.728 1.00 0.00 H new ATOM 1385 N HIS A 68 -0.022 3.092 -1.412 1.00 0.00 N ATOM 1386 CA HIS A 68 0.906 4.195 -1.641 1.00 0.00 C ATOM 1387 C HIS A 68 0.601 5.373 -0.721 1.00 0.00 C ATOM 1388 O HIS A 68 -0.458 5.991 -0.818 1.00 0.00 O ATOM 1389 CB HIS A 68 0.843 4.648 -3.101 1.00 0.00 C ATOM 1390 CG HIS A 68 0.841 3.514 -4.080 1.00 0.00 C ATOM 1391 ND1 HIS A 68 1.994 2.974 -4.609 1.00 0.00 N ATOM 1392 CD2 HIS A 68 -0.184 2.816 -4.625 1.00 0.00 C ATOM 1393 CE1 HIS A 68 1.679 1.994 -5.438 1.00 0.00 C ATOM 1394 NE2 HIS A 68 0.364 1.878 -5.464 1.00 0.00 N ATOM 0 H HIS A 68 -0.763 3.014 -2.109 1.00 0.00 H new ATOM 0 HA HIS A 68 1.911 3.837 -1.418 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.056 5.246 -3.249 1.00 0.00 H new ATOM 0 HB3 HIS A 68 1.695 5.296 -3.309 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -1.236 2.969 -4.435 1.00 0.00 H new ATOM 0 HE1 HIS A 68 2.378 1.391 -5.999 1.00 0.00 H new ATOM 0 HE2 HIS A 68 -0.160 1.201 -6.018 1.00 0.00 H new ATOM 1403 N LEU A 69 1.537 5.679 0.172 1.00 0.00 N ATOM 1404 CA LEU A 69 1.369 6.784 1.109 1.00 0.00 C ATOM 1405 C LEU A 69 2.091 8.034 0.619 1.00 0.00 C ATOM 1406 O LEU A 69 3.218 7.961 0.129 1.00 0.00 O ATOM 1407 CB LEU A 69 1.893 6.393 2.491 1.00 0.00 C ATOM 1408 CG LEU A 69 1.541 7.362 3.614 1.00 0.00 C ATOM 1409 CD1 LEU A 69 1.558 6.657 4.963 1.00 0.00 C ATOM 1410 CD2 LEU A 69 2.511 8.521 3.604 1.00 0.00 C ATOM 0 H LEU A 69 2.420 5.177 0.266 1.00 0.00 H new ATOM 0 HA LEU A 69 0.304 7.005 1.178 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.501 5.408 2.746 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.978 6.301 2.438 1.00 0.00 H new ATOM 0 HG LEU A 69 0.532 7.741 3.451 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.304 7.369 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.830 5.846 4.959 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.552 6.251 5.149 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.259 9.213 4.407 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.525 8.148 3.751 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.450 9.038 2.646 1.00 0.00 H new ATOM 1422 N VAL A 70 1.435 9.182 0.759 1.00 0.00 N ATOM 1423 CA VAL A 70 2.014 10.451 0.337 1.00 0.00 C ATOM 1424 C VAL A 70 2.222 11.377 1.530 1.00 0.00 C ATOM 1425 O VAL A 70 1.307 12.091 1.941 1.00 0.00 O ATOM 1426 CB VAL A 70 1.122 11.162 -0.699 1.00 0.00 C ATOM 1427 CG1 VAL A 70 1.828 12.386 -1.262 1.00 0.00 C ATOM 1428 CG2 VAL A 70 0.727 10.205 -1.815 1.00 0.00 C ATOM 0 H VAL A 70 0.501 9.258 1.162 1.00 0.00 H new ATOM 0 HA VAL A 70 2.977 10.224 -0.121 1.00 0.00 H new ATOM 0 HB VAL A 70 0.212 11.493 -0.199 1.00 0.00 H new ATOM 0 HG11 VAL A 70 1.183 12.875 -1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 70 2.052 13.081 -0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 70 2.756 12.081 -1.745 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.097 10.727 -2.536 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.624 9.839 -2.315 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.176 9.363 -1.395 1.00 0.00 H new ATOM 1438 N LEU A 71 3.430 11.359 2.084 1.00 0.00 N ATOM 1439 CA LEU A 71 3.757 12.196 3.232 1.00 0.00 C ATOM 1440 C LEU A 71 3.875 13.661 2.824 1.00 0.00 C ATOM 1441 O LEU A 71 4.783 14.039 2.084 1.00 0.00 O ATOM 1442 CB LEU A 71 5.062 11.723 3.877 1.00 0.00 C ATOM 1443 CG LEU A 71 5.026 11.601 5.402 1.00 0.00 C ATOM 1444 CD1 LEU A 71 4.667 12.937 6.035 1.00 0.00 C ATOM 1445 CD2 LEU A 71 4.038 10.525 5.828 1.00 0.00 C ATOM 0 H LEU A 71 4.198 10.774 1.756 1.00 0.00 H new ATOM 0 HA LEU A 71 2.949 12.107 3.958 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.326 10.753 3.457 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.857 12.416 3.602 1.00 0.00 H new ATOM 0 HG LEU A 71 6.018 11.312 5.748 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.646 12.832 7.120 1.00 0.00 H new ATOM 0 HD12 LEU A 71 5.412 13.683 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.686 13.255 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 71 4.026 10.452 6.916 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.041 10.784 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 71 4.338 9.567 5.404 1.00 0.00 H new ATOM 1457 N ARG A 72 2.950 14.483 3.311 1.00 0.00 N ATOM 1458 CA ARG A 72 2.950 15.907 2.996 1.00 0.00 C ATOM 1459 C ARG A 72 3.876 16.671 3.937 1.00 0.00 C ATOM 1460 O ARG A 72 4.070 16.279 5.087 1.00 0.00 O ATOM 1461 CB ARG A 72 1.532 16.472 3.088 1.00 0.00 C ATOM 1462 CG ARG A 72 1.336 17.755 2.298 1.00 0.00 C ATOM 1463 CD ARG A 72 0.009 18.418 2.632 1.00 0.00 C ATOM 1464 NE ARG A 72 0.119 19.874 2.670 1.00 0.00 N ATOM 1465 CZ ARG A 72 0.627 20.553 3.697 1.00 0.00 C ATOM 1466 NH1 ARG A 72 1.072 19.911 4.770 1.00 0.00 N1+ ATOM 1467 NH2 ARG A 72 0.690 21.876 3.650 1.00 0.00 N ATOM 0 H ARG A 72 2.191 14.187 3.925 1.00 0.00 H new ATOM 0 HA ARG A 72 3.316 16.028 1.976 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.827 15.722 2.728 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.292 16.659 4.135 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.153 18.444 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.376 17.536 1.231 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.737 18.130 1.891 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.344 18.056 3.597 1.00 0.00 H new ATOM 0 HE ARG A 72 -0.213 20.402 1.863 1.00 0.00 H new ATOM 0 HH11 ARG A 72 1.026 18.893 4.811 1.00 0.00 H new ATOM 0 HH12 ARG A 72 1.460 20.436 5.554 1.00 0.00 H new ATOM 0 HH21 ARG A 72 0.349 22.374 2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 72 1.079 22.396 4.436 1.00 0.00 H new