USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 608 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 45 HIS : no HE2:sc= 0.847 K(o=2,f=-3.1!) USER MOD Set 1.2: A 47 LYS NZ :NH3+ 153:sc= 1.14 (180deg=0.788) USER MOD Single : A 23 SER OG : rot 31:sc= 0.27 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.037 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot 68:sc= 1.2 USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=-0.5) USER MOD Single : A 39 SER OG : rot 68:sc= 1.25 USER MOD Single : A 41 HIS : no HD1:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 43 LYS NZ :NH3+ -168:sc= -0.0119 (180deg=-0.187) USER MOD Single : A 46 LYS NZ :NH3+ -169:sc= -0.0081 (180deg=-0.117) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -45:sc= 1.11 USER MOD Single : A 52 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl -146:sc= -0.241 (180deg=-0.81) USER MOD Single : A 58 MET CE :methyl 175:sc= -1.72 (180deg=-1.78) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.0047) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 K(o=0,f=0.56) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -147:sc= 1.2 (180deg=1) USER MOD ----------------------------------------------------------------- ATOM 215 N GLU A 13 -17.230 10.324 -5.439 1.00 1.00 N ATOM 216 CA GLU A 13 -16.790 9.175 -6.209 1.00 1.00 C ATOM 217 C GLU A 13 -16.901 7.897 -5.390 1.00 1.00 C ATOM 218 O GLU A 13 -17.633 6.972 -5.731 1.00 1.00 O ATOM 219 CB GLU A 13 -15.325 9.356 -6.631 1.00 1.00 C ATOM 220 CG GLU A 13 -14.792 8.246 -7.526 1.00 1.00 C ATOM 221 CD GLU A 13 -15.412 8.262 -8.906 1.00 1.00 C ATOM 222 OE1 GLU A 13 -16.582 7.849 -9.038 1.00 1.00 O ATOM 223 OE2 GLU A 13 -14.722 8.699 -9.857 1.00 1.00 O ATOM 0 HA GLU A 13 -17.430 9.098 -7.088 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -15.224 10.308 -7.152 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -14.705 9.415 -5.736 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -13.710 8.346 -7.617 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -14.985 7.282 -7.056 1.00 1.00 H new ATOM 230 N PHE A 14 -16.224 7.891 -4.261 1.00 1.00 N ATOM 231 CA PHE A 14 -16.148 6.698 -3.438 1.00 1.00 C ATOM 232 C PHE A 14 -17.244 6.541 -2.368 1.00 1.00 C ATOM 233 O PHE A 14 -18.243 5.856 -2.584 1.00 1.00 O ATOM 234 CB PHE A 14 -14.769 6.646 -2.769 1.00 1.00 C ATOM 235 CG PHE A 14 -13.627 6.518 -3.743 1.00 1.00 C ATOM 236 CD1 PHE A 14 -13.239 5.273 -4.213 1.00 1.00 C ATOM 237 CD2 PHE A 14 -12.936 7.639 -4.183 1.00 1.00 C ATOM 238 CE1 PHE A 14 -12.191 5.149 -5.108 1.00 1.00 C ATOM 239 CE2 PHE A 14 -11.888 7.520 -5.078 1.00 1.00 C ATOM 240 CZ PHE A 14 -11.513 6.272 -5.537 1.00 1.00 C ATOM 0 H PHE A 14 -15.719 8.696 -3.891 1.00 1.00 H new ATOM 0 HA PHE A 14 -16.312 5.866 -4.122 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -14.629 7.549 -2.175 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -14.742 5.803 -2.078 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -13.761 4.389 -3.877 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -13.220 8.616 -3.822 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -11.904 4.173 -5.471 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -11.364 8.401 -5.417 1.00 1.00 H new ATOM 0 HZ PHE A 14 -10.691 6.175 -6.230 1.00 1.00 H new ATOM 358 N SER A 23 -15.741 6.364 5.045 1.00 1.00 N ATOM 359 CA SER A 23 -16.259 5.077 4.634 1.00 1.00 C ATOM 360 C SER A 23 -15.147 4.175 4.114 1.00 1.00 C ATOM 361 O SER A 23 -14.100 4.648 3.677 1.00 1.00 O ATOM 362 CB SER A 23 -17.319 5.287 3.558 1.00 1.00 C ATOM 363 OG SER A 23 -18.260 6.267 3.965 1.00 1.00 O ATOM 0 HA SER A 23 -16.704 4.584 5.498 1.00 1.00 H new ATOM 0 HB2 SER A 23 -16.843 5.597 2.628 1.00 1.00 H new ATOM 0 HB3 SER A 23 -17.831 4.346 3.356 1.00 1.00 H new ATOM 0 HG SER A 23 -17.818 6.926 4.540 1.00 1.00 H new ATOM 369 N THR A 24 -15.391 2.877 4.166 1.00 1.00 N ATOM 370 CA THR A 24 -14.430 1.867 3.701 1.00 1.00 C ATOM 371 C THR A 24 -13.871 2.206 2.317 1.00 1.00 C ATOM 372 O THR A 24 -12.669 2.124 2.078 1.00 1.00 O ATOM 373 CB THR A 24 -15.114 0.487 3.632 1.00 1.00 C ATOM 374 OG1 THR A 24 -15.934 0.294 4.796 1.00 1.00 O ATOM 375 CG2 THR A 24 -14.099 -0.638 3.524 1.00 1.00 C ATOM 0 H THR A 24 -16.259 2.484 4.530 1.00 1.00 H new ATOM 0 HA THR A 24 -13.605 1.852 4.413 1.00 1.00 H new ATOM 0 HB THR A 24 -15.733 0.464 2.735 1.00 1.00 H new ATOM 0 HG1 THR A 24 -16.369 -0.583 4.748 1.00 1.00 H new ATOM 0 HG21 THR A 24 -14.620 -1.595 3.478 1.00 1.00 H new ATOM 0 HG22 THR A 24 -13.503 -0.505 2.621 1.00 1.00 H new ATOM 0 HG23 THR A 24 -13.445 -0.623 4.396 1.00 1.00 H new ATOM 383 N GLU A 25 -14.763 2.613 1.425 1.00 1.00 N ATOM 384 CA GLU A 25 -14.401 2.976 0.053 1.00 1.00 C ATOM 385 C GLU A 25 -13.303 4.047 0.010 1.00 1.00 C ATOM 386 O GLU A 25 -12.289 3.880 -0.663 1.00 1.00 O ATOM 387 CB GLU A 25 -15.647 3.470 -0.682 1.00 1.00 C ATOM 388 CG GLU A 25 -16.737 2.417 -0.757 1.00 1.00 C ATOM 389 CD GLU A 25 -17.933 2.844 -1.582 1.00 1.00 C ATOM 390 OE1 GLU A 25 -17.925 2.614 -2.812 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.904 3.372 -0.999 1.00 1.00 O ATOM 0 H GLU A 25 -15.759 2.702 1.627 1.00 1.00 H new ATOM 0 HA GLU A 25 -14.003 2.088 -0.438 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -16.036 4.354 -0.177 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -15.372 3.775 -1.692 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -16.320 1.504 -1.181 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -17.069 2.177 0.253 1.00 1.00 H new ATOM 398 N VAL A 26 -13.500 5.137 0.749 1.00 1.00 N ATOM 399 CA VAL A 26 -12.517 6.225 0.781 1.00 1.00 C ATOM 400 C VAL A 26 -11.229 5.799 1.488 1.00 1.00 C ATOM 401 O VAL A 26 -10.138 6.204 1.100 1.00 1.00 O ATOM 402 CB VAL A 26 -13.092 7.503 1.444 1.00 1.00 C ATOM 403 CG1 VAL A 26 -12.008 8.531 1.752 1.00 1.00 C ATOM 404 CG2 VAL A 26 -14.126 8.127 0.533 1.00 1.00 C ATOM 0 H VAL A 26 -14.324 5.293 1.330 1.00 1.00 H new ATOM 0 HA VAL A 26 -12.279 6.459 -0.257 1.00 1.00 H new ATOM 0 HB VAL A 26 -13.546 7.204 2.389 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -12.460 9.408 2.215 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -11.277 8.096 2.434 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -11.511 8.824 0.827 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -14.529 9.025 1.001 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -13.662 8.390 -0.418 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -14.933 7.416 0.358 1.00 1.00 H new ATOM 414 N GLN A 27 -11.339 4.945 2.490 1.00 1.00 N ATOM 415 CA GLN A 27 -10.149 4.512 3.206 1.00 1.00 C ATOM 416 C GLN A 27 -9.312 3.539 2.358 1.00 1.00 C ATOM 417 O GLN A 27 -8.083 3.595 2.370 1.00 1.00 O ATOM 418 CB GLN A 27 -10.512 3.931 4.560 1.00 1.00 C ATOM 419 CG GLN A 27 -9.309 3.410 5.326 1.00 1.00 C ATOM 420 CD GLN A 27 -9.670 2.941 6.714 1.00 1.00 C ATOM 421 OE1 GLN A 27 -10.041 1.796 6.919 1.00 1.00 O ATOM 422 NE2 GLN A 27 -9.554 3.821 7.687 1.00 1.00 N ATOM 0 H GLN A 27 -12.217 4.545 2.822 1.00 1.00 H new ATOM 0 HA GLN A 27 -9.524 5.386 3.390 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -11.011 4.696 5.155 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -11.226 3.119 4.421 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.858 2.586 4.773 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -8.557 4.196 5.395 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -9.241 4.770 7.482 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -9.777 3.554 8.646 1.00 1.00 H new ATOM 431 N VAL A 28 -9.968 2.649 1.619 1.00 1.00 N ATOM 432 CA VAL A 28 -9.246 1.753 0.723 1.00 1.00 C ATOM 433 C VAL A 28 -8.698 2.584 -0.436 1.00 1.00 C ATOM 434 O VAL A 28 -7.643 2.291 -1.004 1.00 1.00 O ATOM 435 CB VAL A 28 -10.137 0.613 0.196 1.00 1.00 C ATOM 436 CG1 VAL A 28 -9.390 -0.261 -0.804 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.651 -0.227 1.355 1.00 1.00 C ATOM 0 H VAL A 28 -10.981 2.530 1.622 1.00 1.00 H new ATOM 0 HA VAL A 28 -8.435 1.279 1.275 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.985 1.060 -0.324 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -10.048 -1.055 -1.156 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -9.070 0.347 -1.651 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -8.517 -0.700 -0.322 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -11.280 -1.030 0.971 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.807 -0.654 1.897 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -11.235 0.401 2.028 1.00 1.00 H new ATOM 447 N ALA A 29 -9.421 3.648 -0.769 1.00 1.00 N ATOM 448 CA ALA A 29 -8.976 4.562 -1.802 1.00 1.00 C ATOM 449 C ALA A 29 -7.687 5.227 -1.348 1.00 1.00 C ATOM 450 O ALA A 29 -6.701 5.262 -2.075 1.00 1.00 O ATOM 451 CB ALA A 29 -10.028 5.619 -2.098 1.00 1.00 C ATOM 0 H ALA A 29 -10.312 3.894 -0.338 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.807 3.998 -2.719 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.662 6.288 -2.877 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.945 5.135 -2.436 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -10.232 6.192 -1.194 1.00 1.00 H new ATOM 457 N LEU A 30 -7.679 5.701 -0.110 1.00 1.00 N ATOM 458 CA LEU A 30 -6.494 6.353 0.416 1.00 1.00 C ATOM 459 C LEU A 30 -5.386 5.325 0.698 1.00 1.00 C ATOM 460 O LEU A 30 -4.204 5.643 0.613 1.00 1.00 O ATOM 461 CB LEU A 30 -6.837 7.239 1.635 1.00 1.00 C ATOM 462 CG LEU A 30 -7.233 6.542 2.952 1.00 1.00 C ATOM 463 CD1 LEU A 30 -6.013 6.096 3.751 1.00 1.00 C ATOM 464 CD2 LEU A 30 -8.093 7.482 3.793 1.00 1.00 C ATOM 0 H LEU A 30 -8.466 5.647 0.537 1.00 1.00 H new ATOM 0 HA LEU A 30 -6.099 7.030 -0.342 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.974 7.873 1.840 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.656 7.899 1.348 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.802 5.648 2.698 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -6.338 5.610 4.671 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -5.426 5.395 3.158 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -5.401 6.964 3.996 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -8.371 6.986 4.723 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -7.529 8.387 4.019 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -8.994 7.745 3.238 1.00 1.00 H new ATOM 476 N LEU A 31 -5.768 4.082 0.989 1.00 1.00 N ATOM 477 CA LEU A 31 -4.790 3.027 1.223 1.00 1.00 C ATOM 478 C LEU A 31 -4.076 2.718 -0.109 1.00 1.00 C ATOM 479 O LEU A 31 -2.851 2.614 -0.172 1.00 1.00 O ATOM 480 CB LEU A 31 -5.477 1.807 1.901 1.00 1.00 C ATOM 481 CG LEU A 31 -6.001 0.614 1.041 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.891 -0.195 0.385 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.834 -0.304 1.928 1.00 1.00 C ATOM 0 H LEU A 31 -6.741 3.785 1.067 1.00 1.00 H new ATOM 0 HA LEU A 31 -4.015 3.338 1.924 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.768 1.398 2.621 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -6.324 2.190 2.470 1.00 1.00 H new ATOM 0 HG LEU A 31 -6.597 1.039 0.234 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -5.328 -1.007 -0.196 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -4.310 0.451 -0.273 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -4.239 -0.609 1.154 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -7.206 -1.141 1.338 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -6.216 -0.681 2.743 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.677 0.253 2.338 1.00 1.00 H new ATOM 495 N THR A 32 -4.854 2.673 -1.183 1.00 1.00 N ATOM 496 CA THR A 32 -4.323 2.424 -2.525 1.00 1.00 C ATOM 497 C THR A 32 -3.510 3.633 -3.015 1.00 1.00 C ATOM 498 O THR A 32 -2.433 3.474 -3.592 1.00 1.00 O ATOM 499 CB THR A 32 -5.471 2.112 -3.507 1.00 1.00 C ATOM 500 OG1 THR A 32 -6.255 1.022 -2.998 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.950 1.750 -4.887 1.00 1.00 C ATOM 0 H THR A 32 -5.865 2.807 -1.154 1.00 1.00 H new ATOM 0 HA THR A 32 -3.661 1.559 -2.480 1.00 1.00 H new ATOM 0 HB THR A 32 -6.082 3.010 -3.600 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.729 1.310 -2.190 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.790 1.537 -5.549 1.00 1.00 H new ATOM 0 HG22 THR A 32 -4.374 2.583 -5.288 1.00 1.00 H new ATOM 0 HG23 THR A 32 -4.312 0.869 -4.816 1.00 1.00 H new ATOM 509 N LEU A 33 -4.019 4.845 -2.770 1.00 1.00 N ATOM 510 CA LEU A 33 -3.302 6.068 -3.155 1.00 1.00 C ATOM 511 C LEU A 33 -1.975 6.144 -2.400 1.00 1.00 C ATOM 512 O LEU A 33 -0.954 6.555 -2.947 1.00 1.00 O ATOM 513 CB LEU A 33 -4.131 7.327 -2.863 1.00 1.00 C ATOM 514 CG LEU A 33 -5.444 7.460 -3.646 1.00 1.00 C ATOM 515 CD1 LEU A 33 -6.164 8.744 -3.261 1.00 1.00 C ATOM 516 CD2 LEU A 33 -5.192 7.426 -5.147 1.00 1.00 C ATOM 0 H LEU A 33 -4.916 5.006 -2.311 1.00 1.00 H new ATOM 0 HA LEU A 33 -3.121 6.026 -4.229 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.362 7.348 -1.798 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -3.515 8.201 -3.073 1.00 1.00 H new ATOM 0 HG LEU A 33 -6.077 6.611 -3.389 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -7.093 8.823 -3.825 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -6.387 8.730 -2.194 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -5.528 9.600 -3.487 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -6.139 7.522 -5.677 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -4.536 8.251 -5.424 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.720 6.481 -5.415 1.00 1.00 H new ATOM 528 N ARG A 34 -1.997 5.734 -1.138 1.00 1.00 N ATOM 529 CA ARG A 34 -0.790 5.721 -0.326 1.00 1.00 C ATOM 530 C ARG A 34 0.220 4.729 -0.916 1.00 1.00 C ATOM 531 O ARG A 34 1.399 5.046 -1.048 1.00 1.00 O ATOM 532 CB ARG A 34 -1.124 5.349 1.113 1.00 1.00 C ATOM 533 CG ARG A 34 0.046 5.468 2.063 1.00 1.00 C ATOM 534 CD ARG A 34 -0.290 4.852 3.415 1.00 1.00 C ATOM 535 NE ARG A 34 -1.366 5.567 4.118 1.00 1.00 N ATOM 536 CZ ARG A 34 -2.330 4.982 4.788 1.00 1.00 C ATOM 537 NH1 ARG A 34 -2.490 3.694 4.730 1.00 1.00 N ATOM 538 NH2 ARG A 34 -3.161 5.698 5.478 1.00 1.00 N ATOM 0 H ARG A 34 -2.835 5.407 -0.657 1.00 1.00 H new ATOM 0 HA ARG A 34 -0.349 6.718 -0.328 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.932 5.990 1.465 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.496 4.325 1.136 1.00 1.00 H new ATOM 0 HG2 ARG A 34 0.917 4.970 1.638 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.310 6.518 2.192 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -0.585 3.812 3.272 1.00 1.00 H new ATOM 0 HD3 ARG A 34 0.604 4.847 4.039 1.00 1.00 H new ATOM 0 HE ARG A 34 -1.362 6.586 4.082 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.863 3.127 4.159 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -3.243 3.249 5.255 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.064 6.713 5.499 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -3.912 5.246 6.000 1.00 1.00 H new ATOM 552 N ILE A 35 -0.256 3.527 -1.279 1.00 1.00 N ATOM 553 CA ILE A 35 0.610 2.509 -1.895 1.00 1.00 C ATOM 554 C ILE A 35 1.279 3.083 -3.148 1.00 1.00 C ATOM 555 O ILE A 35 2.498 3.006 -3.303 1.00 1.00 O ATOM 556 CB ILE A 35 -0.165 1.223 -2.300 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.778 0.538 -1.074 1.00 1.00 C ATOM 558 CG2 ILE A 35 0.756 0.249 -3.034 1.00 1.00 C ATOM 559 CD1 ILE A 35 -1.614 -0.684 -1.410 1.00 1.00 C ATOM 0 H ILE A 35 -1.227 3.238 -1.158 1.00 1.00 H new ATOM 0 HA ILE A 35 1.351 2.236 -1.143 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.973 1.520 -2.969 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.023 0.244 -0.395 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -1.400 1.257 -0.541 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.196 -0.644 -3.309 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.145 0.725 -3.934 1.00 1.00 H new ATOM 0 HG23 ILE A 35 1.585 -0.029 -2.383 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -2.014 -1.115 -0.492 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -2.437 -0.394 -2.063 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.992 -1.422 -1.916 1.00 1.00 H new ATOM 571 N ASN A 36 0.473 3.687 -4.024 1.00 1.00 N ATOM 572 CA ASN A 36 0.989 4.288 -5.256 1.00 1.00 C ATOM 573 C ASN A 36 2.003 5.395 -4.945 1.00 1.00 C ATOM 574 O ASN A 36 3.114 5.405 -5.472 1.00 1.00 O ATOM 575 CB ASN A 36 -0.139 4.906 -6.095 1.00 1.00 C ATOM 576 CG ASN A 36 -1.161 3.908 -6.592 1.00 1.00 C ATOM 577 OD1 ASN A 36 -0.871 2.739 -6.798 1.00 1.00 O ATOM 578 ND2 ASN A 36 -2.378 4.375 -6.805 1.00 1.00 N ATOM 0 H ASN A 36 -0.536 3.773 -3.904 1.00 1.00 H new ATOM 0 HA ASN A 36 1.468 3.485 -5.816 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -0.648 5.663 -5.498 1.00 1.00 H new ATOM 0 HB3 ASN A 36 0.299 5.417 -6.952 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -3.109 3.754 -7.152 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -2.587 5.357 -6.623 1.00 1.00 H new ATOM 585 N ARG A 37 1.621 6.297 -4.039 1.00 1.00 N ATOM 586 CA ARG A 37 2.468 7.431 -3.664 1.00 1.00 C ATOM 587 C ARG A 37 3.775 6.939 -3.054 1.00 1.00 C ATOM 588 O ARG A 37 4.855 7.433 -3.378 1.00 1.00 O ATOM 589 CB ARG A 37 1.713 8.338 -2.666 1.00 1.00 C ATOM 590 CG ARG A 37 2.442 9.622 -2.257 1.00 1.00 C ATOM 591 CD ARG A 37 3.464 9.424 -1.128 1.00 1.00 C ATOM 592 NE ARG A 37 4.251 10.647 -0.910 1.00 1.00 N ATOM 593 CZ ARG A 37 5.018 10.904 0.123 1.00 1.00 C ATOM 594 NH1 ARG A 37 5.099 10.090 1.134 1.00 1.00 N ATOM 595 NH2 ARG A 37 5.711 11.997 0.128 1.00 1.00 N ATOM 0 H ARG A 37 0.727 6.264 -3.550 1.00 1.00 H new ATOM 0 HA ARG A 37 2.705 8.008 -4.558 1.00 1.00 H new ATOM 0 HB2 ARG A 37 0.753 8.610 -3.105 1.00 1.00 H new ATOM 0 HB3 ARG A 37 1.500 7.760 -1.767 1.00 1.00 H new ATOM 0 HG2 ARG A 37 2.953 10.032 -3.128 1.00 1.00 H new ATOM 0 HG3 ARG A 37 1.706 10.362 -1.942 1.00 1.00 H new ATOM 0 HD2 ARG A 37 2.947 9.151 -0.208 1.00 1.00 H new ATOM 0 HD3 ARG A 37 4.130 8.598 -1.376 1.00 1.00 H new ATOM 0 HE ARG A 37 4.195 11.365 -1.632 1.00 1.00 H new ATOM 0 HH11 ARG A 37 4.558 9.226 1.137 1.00 1.00 H new ATOM 0 HH12 ARG A 37 5.704 10.316 1.924 1.00 1.00 H new ATOM 0 HH21 ARG A 37 5.655 12.640 -0.662 1.00 1.00 H new ATOM 0 HH22 ARG A 37 6.313 12.215 0.922 1.00 1.00 H new ATOM 609 N LEU A 38 3.681 5.933 -2.187 1.00 1.00 N ATOM 610 CA LEU A 38 4.854 5.406 -1.533 1.00 1.00 C ATOM 611 C LEU A 38 5.725 4.621 -2.504 1.00 1.00 C ATOM 612 O LEU A 38 6.938 4.588 -2.357 1.00 1.00 O ATOM 613 CB LEU A 38 4.464 4.558 -0.330 1.00 1.00 C ATOM 614 CG LEU A 38 3.896 5.349 0.856 1.00 1.00 C ATOM 615 CD1 LEU A 38 3.563 4.413 2.005 1.00 1.00 C ATOM 616 CD2 LEU A 38 4.879 6.417 1.318 1.00 1.00 C ATOM 0 H LEU A 38 2.806 5.476 -1.929 1.00 1.00 H new ATOM 0 HA LEU A 38 5.446 6.248 -1.175 1.00 1.00 H new ATOM 0 HB2 LEU A 38 3.724 3.822 -0.646 1.00 1.00 H new ATOM 0 HB3 LEU A 38 5.341 4.005 0.007 1.00 1.00 H new ATOM 0 HG LEU A 38 2.982 5.843 0.527 1.00 1.00 H new ATOM 0 HD11 LEU A 38 3.161 4.989 2.839 1.00 1.00 H new ATOM 0 HD12 LEU A 38 2.822 3.684 1.677 1.00 1.00 H new ATOM 0 HD13 LEU A 38 4.466 3.894 2.325 1.00 1.00 H new ATOM 0 HD21 LEU A 38 4.453 6.964 2.159 1.00 1.00 H new ATOM 0 HD22 LEU A 38 5.811 5.944 1.627 1.00 1.00 H new ATOM 0 HD23 LEU A 38 5.077 7.108 0.499 1.00 1.00 H new ATOM 628 N SER A 39 5.122 3.998 -3.503 1.00 1.00 N ATOM 629 CA SER A 39 5.907 3.280 -4.493 1.00 1.00 C ATOM 630 C SER A 39 6.743 4.276 -5.310 1.00 1.00 C ATOM 631 O SER A 39 7.921 4.048 -5.558 1.00 1.00 O ATOM 632 CB SER A 39 5.006 2.452 -5.412 1.00 1.00 C ATOM 633 OG SER A 39 4.267 1.493 -4.672 1.00 1.00 O ATOM 0 H SER A 39 4.113 3.974 -3.649 1.00 1.00 H new ATOM 0 HA SER A 39 6.576 2.592 -3.977 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.321 3.111 -5.945 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.613 1.947 -6.164 1.00 1.00 H new ATOM 0 HG SER A 39 3.621 1.952 -4.096 1.00 1.00 H new ATOM 639 N GLU A 40 6.144 5.416 -5.676 1.00 1.00 N ATOM 640 CA GLU A 40 6.865 6.449 -6.450 1.00 1.00 C ATOM 641 C GLU A 40 7.849 7.181 -5.546 1.00 1.00 C ATOM 642 O GLU A 40 8.811 7.804 -6.000 1.00 1.00 O ATOM 643 CB GLU A 40 5.890 7.437 -7.079 1.00 1.00 C ATOM 644 CG GLU A 40 4.881 6.754 -7.977 1.00 1.00 C ATOM 645 CD GLU A 40 3.958 7.725 -8.681 1.00 1.00 C ATOM 646 OE1 GLU A 40 3.875 8.892 -8.245 1.00 1.00 O ATOM 647 OE2 GLU A 40 3.312 7.313 -9.667 1.00 1.00 O ATOM 0 H GLU A 40 5.176 5.650 -5.455 1.00 1.00 H new ATOM 0 HA GLU A 40 7.414 5.958 -7.253 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.365 7.978 -6.291 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.446 8.175 -7.656 1.00 1.00 H new ATOM 0 HG2 GLU A 40 5.410 6.160 -8.722 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.285 6.062 -7.383 1.00 1.00 H new ATOM 654 N HIS A 41 7.585 7.085 -4.252 1.00 1.00 N ATOM 655 CA HIS A 41 8.423 7.664 -3.231 1.00 1.00 C ATOM 656 C HIS A 41 9.686 6.812 -3.110 1.00 1.00 C ATOM 657 O HIS A 41 10.806 7.315 -3.125 1.00 1.00 O ATOM 658 CB HIS A 41 7.624 7.666 -1.927 1.00 1.00 C ATOM 659 CG HIS A 41 8.291 8.305 -0.753 1.00 1.00 C ATOM 660 ND1 HIS A 41 8.626 7.625 0.396 1.00 1.00 N ATOM 661 CD2 HIS A 41 8.624 9.600 -0.532 1.00 1.00 C ATOM 662 CE1 HIS A 41 9.130 8.509 1.266 1.00 1.00 C ATOM 663 NE2 HIS A 41 9.150 9.721 0.749 1.00 1.00 N ATOM 0 H HIS A 41 6.770 6.595 -3.884 1.00 1.00 H new ATOM 0 HA HIS A 41 8.719 8.686 -3.470 1.00 1.00 H new ATOM 0 HB2 HIS A 41 6.677 8.176 -2.105 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.386 6.634 -1.668 1.00 1.00 H new ATOM 0 HD2 HIS A 41 8.501 10.408 -1.238 1.00 1.00 H new ATOM 0 HE1 HIS A 41 9.474 8.262 2.259 1.00 1.00 H new ATOM 0 HE2 HIS A 41 9.484 10.574 1.198 1.00 1.00 H new ATOM 671 N LEU A 42 9.474 5.499 -3.037 1.00 1.00 N ATOM 672 CA LEU A 42 10.561 4.526 -2.945 1.00 1.00 C ATOM 673 C LEU A 42 11.390 4.487 -4.242 1.00 1.00 C ATOM 674 O LEU A 42 12.543 4.074 -4.236 1.00 1.00 O ATOM 675 CB LEU A 42 9.990 3.131 -2.677 1.00 1.00 C ATOM 676 CG LEU A 42 9.819 2.718 -1.206 1.00 1.00 C ATOM 677 CD1 LEU A 42 9.122 3.795 -0.381 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.031 1.422 -1.140 1.00 1.00 C ATOM 0 H LEU A 42 8.544 5.080 -3.040 1.00 1.00 H new ATOM 0 HA LEU A 42 11.211 4.830 -2.124 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.017 3.064 -3.163 1.00 1.00 H new ATOM 0 HB3 LEU A 42 10.639 2.401 -3.161 1.00 1.00 H new ATOM 0 HG LEU A 42 10.812 2.579 -0.778 1.00 1.00 H new ATOM 0 HD11 LEU A 42 9.024 3.457 0.651 1.00 1.00 H new ATOM 0 HD12 LEU A 42 9.711 4.712 -0.408 1.00 1.00 H new ATOM 0 HD13 LEU A 42 8.132 3.987 -0.795 1.00 1.00 H new ATOM 0 HD21 LEU A 42 8.907 1.124 -0.099 1.00 1.00 H new ATOM 0 HD22 LEU A 42 8.051 1.568 -1.595 1.00 1.00 H new ATOM 0 HD23 LEU A 42 9.568 0.642 -1.679 1.00 1.00 H new ATOM 690 N LYS A 43 10.799 4.915 -5.362 1.00 1.00 N ATOM 691 CA LYS A 43 11.532 4.928 -6.637 1.00 1.00 C ATOM 692 C LYS A 43 12.473 6.132 -6.704 1.00 1.00 C ATOM 693 O LYS A 43 13.161 6.365 -7.698 1.00 1.00 O ATOM 694 CB LYS A 43 10.575 4.899 -7.823 1.00 1.00 C ATOM 695 CG LYS A 43 9.808 3.591 -7.901 1.00 1.00 C ATOM 696 CD LYS A 43 8.820 3.581 -9.050 1.00 1.00 C ATOM 697 CE LYS A 43 8.056 2.266 -9.119 1.00 1.00 C ATOM 698 NZ LYS A 43 8.955 1.106 -9.383 1.00 1.00 N ATOM 0 H LYS A 43 9.837 5.250 -5.416 1.00 1.00 H new ATOM 0 HA LYS A 43 12.140 4.025 -6.691 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.872 5.728 -7.742 1.00 1.00 H new ATOM 0 HB3 LYS A 43 11.136 5.046 -8.746 1.00 1.00 H new ATOM 0 HG2 LYS A 43 10.510 2.765 -8.019 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.276 3.426 -6.964 1.00 1.00 H new ATOM 0 HD2 LYS A 43 8.117 4.406 -8.933 1.00 1.00 H new ATOM 0 HD3 LYS A 43 9.350 3.744 -9.988 1.00 1.00 H new ATOM 0 HE2 LYS A 43 7.526 2.106 -8.180 1.00 1.00 H new ATOM 0 HE3 LYS A 43 7.303 2.326 -9.905 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 8.383 0.271 -9.623 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 9.589 1.331 -10.176 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 9.521 0.905 -8.534 1.00 1.00 H new ATOM 712 N VAL A 44 12.473 6.891 -5.622 1.00 1.00 N ATOM 713 CA VAL A 44 13.344 8.036 -5.456 1.00 1.00 C ATOM 714 C VAL A 44 14.195 7.773 -4.217 1.00 1.00 C ATOM 715 O VAL A 44 15.411 7.973 -4.208 1.00 1.00 O ATOM 716 CB VAL A 44 12.551 9.350 -5.272 1.00 1.00 C ATOM 717 CG1 VAL A 44 13.494 10.529 -5.091 1.00 1.00 C ATOM 718 CG2 VAL A 44 11.619 9.594 -6.450 1.00 1.00 C ATOM 0 H VAL A 44 11.859 6.725 -4.825 1.00 1.00 H new ATOM 0 HA VAL A 44 13.954 8.160 -6.351 1.00 1.00 H new ATOM 0 HB VAL A 44 11.945 9.250 -4.371 1.00 1.00 H new ATOM 0 HG11 VAL A 44 12.914 11.443 -4.963 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.114 10.367 -4.209 1.00 1.00 H new ATOM 0 HG13 VAL A 44 14.131 10.624 -5.970 1.00 1.00 H new ATOM 0 HG21 VAL A 44 11.073 10.525 -6.295 1.00 1.00 H new ATOM 0 HG22 VAL A 44 12.203 9.664 -7.368 1.00 1.00 H new ATOM 0 HG23 VAL A 44 10.912 8.768 -6.532 1.00 1.00 H new ATOM 728 N HIS A 45 13.528 7.280 -3.175 1.00 1.00 N ATOM 729 CA HIS A 45 14.184 6.942 -1.923 1.00 1.00 C ATOM 730 C HIS A 45 15.015 5.673 -2.036 1.00 1.00 C ATOM 731 O HIS A 45 14.564 4.572 -1.723 1.00 1.00 O ATOM 732 CB HIS A 45 13.168 6.791 -0.800 1.00 1.00 C ATOM 733 CG HIS A 45 12.848 8.082 -0.133 1.00 1.00 C ATOM 734 ND1 HIS A 45 12.947 8.283 1.221 1.00 1.00 N ATOM 735 CD2 HIS A 45 12.435 9.260 -0.660 1.00 1.00 C ATOM 736 CE1 HIS A 45 12.599 9.548 1.474 1.00 1.00 C ATOM 737 NE2 HIS A 45 12.282 10.185 0.367 1.00 1.00 N ATOM 0 H HIS A 45 12.523 7.106 -3.179 1.00 1.00 H new ATOM 0 HA HIS A 45 14.858 7.767 -1.690 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.252 6.358 -1.201 1.00 1.00 H new ATOM 0 HB3 HIS A 45 13.554 6.091 -0.059 1.00 1.00 H new ATOM 0 HD1 HIS A 45 13.235 7.590 1.912 1.00 1.00 H new ATOM 0 HD2 HIS A 45 12.254 9.450 -1.708 1.00 1.00 H new ATOM 0 HE1 HIS A 45 12.580 9.990 2.459 1.00 1.00 H new ATOM 745 N LYS A 46 16.233 5.847 -2.498 1.00 1.00 N ATOM 746 CA LYS A 46 17.169 4.746 -2.621 1.00 1.00 C ATOM 747 C LYS A 46 17.915 4.575 -1.297 1.00 1.00 C ATOM 748 O LYS A 46 18.675 3.635 -1.104 1.00 1.00 O ATOM 749 CB LYS A 46 18.142 5.007 -3.773 1.00 1.00 C ATOM 750 CG LYS A 46 18.858 6.354 -3.695 1.00 1.00 C ATOM 751 CD LYS A 46 19.763 6.583 -4.902 1.00 1.00 C ATOM 752 CE LYS A 46 20.953 5.628 -4.928 1.00 1.00 C ATOM 753 NZ LYS A 46 21.884 5.843 -3.783 1.00 1.00 N ATOM 0 H LYS A 46 16.603 6.749 -2.798 1.00 1.00 H new ATOM 0 HA LYS A 46 16.630 3.825 -2.844 1.00 1.00 H new ATOM 0 HB2 LYS A 46 18.888 4.212 -3.791 1.00 1.00 H new ATOM 0 HB3 LYS A 46 17.596 4.953 -4.715 1.00 1.00 H new ATOM 0 HG2 LYS A 46 18.121 7.155 -3.636 1.00 1.00 H new ATOM 0 HG3 LYS A 46 19.451 6.398 -2.782 1.00 1.00 H new ATOM 0 HD2 LYS A 46 19.182 6.460 -5.816 1.00 1.00 H new ATOM 0 HD3 LYS A 46 20.126 7.611 -4.891 1.00 1.00 H new ATOM 0 HE2 LYS A 46 20.590 4.600 -4.909 1.00 1.00 H new ATOM 0 HE3 LYS A 46 21.497 5.757 -5.864 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 22.761 5.307 -3.943 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 22.107 6.856 -3.702 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 21.434 5.517 -2.904 1.00 1.00 H new ATOM 767 N LYS A 47 17.678 5.521 -0.392 1.00 1.00 N ATOM 768 CA LYS A 47 18.286 5.508 0.937 1.00 1.00 C ATOM 769 C LYS A 47 17.437 4.686 1.901 1.00 1.00 C ATOM 770 O LYS A 47 17.846 4.397 3.023 1.00 1.00 O ATOM 771 CB LYS A 47 18.389 6.935 1.479 1.00 1.00 C ATOM 772 CG LYS A 47 17.034 7.576 1.768 1.00 1.00 C ATOM 773 CD LYS A 47 17.196 8.950 2.396 1.00 1.00 C ATOM 774 CE LYS A 47 15.858 9.555 2.793 1.00 1.00 C ATOM 775 NZ LYS A 47 15.137 8.725 3.801 1.00 1.00 N ATOM 0 H LYS A 47 17.061 6.316 -0.558 1.00 1.00 H new ATOM 0 HA LYS A 47 19.279 5.066 0.852 1.00 1.00 H new ATOM 0 HB2 LYS A 47 18.980 6.926 2.395 1.00 1.00 H new ATOM 0 HB3 LYS A 47 18.927 7.551 0.758 1.00 1.00 H new ATOM 0 HG2 LYS A 47 16.465 7.662 0.842 1.00 1.00 H new ATOM 0 HG3 LYS A 47 16.461 6.934 2.436 1.00 1.00 H new ATOM 0 HD2 LYS A 47 17.835 8.874 3.276 1.00 1.00 H new ATOM 0 HD3 LYS A 47 17.700 9.613 1.693 1.00 1.00 H new ATOM 0 HE2 LYS A 47 16.020 10.554 3.197 1.00 1.00 H new ATOM 0 HE3 LYS A 47 15.235 9.667 1.906 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 14.511 9.333 4.367 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 14.570 8.002 3.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 15.827 8.261 4.426 1.00 1.00 H new ATOM 789 N ASP A 48 16.260 4.294 1.445 1.00 1.00 N ATOM 790 CA ASP A 48 15.340 3.548 2.288 1.00 1.00 C ATOM 791 C ASP A 48 15.313 2.079 1.915 1.00 1.00 C ATOM 792 O ASP A 48 14.463 1.617 1.143 1.00 1.00 O ATOM 793 CB ASP A 48 13.929 4.139 2.233 1.00 1.00 C ATOM 794 CG ASP A 48 13.756 5.336 3.153 1.00 1.00 C ATOM 795 OD1 ASP A 48 14.229 6.448 2.803 1.00 1.00 O ATOM 796 OD2 ASP A 48 13.131 5.179 4.224 1.00 1.00 O ATOM 0 H ASP A 48 15.919 4.478 0.501 1.00 1.00 H new ATOM 0 HA ASP A 48 15.704 3.631 3.312 1.00 1.00 H new ATOM 0 HB2 ASP A 48 13.705 4.438 1.209 1.00 1.00 H new ATOM 0 HB3 ASP A 48 13.207 3.370 2.506 1.00 1.00 H new ATOM 801 N HIS A 49 16.286 1.354 2.436 1.00 1.00 N ATOM 802 CA HIS A 49 16.357 -0.072 2.227 1.00 1.00 C ATOM 803 C HIS A 49 15.283 -0.755 3.088 1.00 1.00 C ATOM 804 O HIS A 49 14.670 -0.113 3.944 1.00 1.00 O ATOM 805 CB HIS A 49 17.758 -0.600 2.526 1.00 1.00 C ATOM 806 CG HIS A 49 18.790 -0.128 1.538 1.00 1.00 C ATOM 807 ND1 HIS A 49 19.189 -0.854 0.436 1.00 1.00 N ATOM 808 CD2 HIS A 49 19.502 1.028 1.497 1.00 1.00 C ATOM 809 CE1 HIS A 49 20.107 -0.133 -0.223 1.00 1.00 C ATOM 810 NE2 HIS A 49 20.331 1.014 0.380 1.00 1.00 N ATOM 0 H HIS A 49 17.039 1.736 3.009 1.00 1.00 H new ATOM 0 HA HIS A 49 16.160 -0.302 1.180 1.00 1.00 H new ATOM 0 HB2 HIS A 49 18.052 -0.286 3.527 1.00 1.00 H new ATOM 0 HB3 HIS A 49 17.737 -1.690 2.527 1.00 1.00 H new ATOM 0 HD2 HIS A 49 19.435 1.830 2.217 1.00 1.00 H new ATOM 0 HE1 HIS A 49 20.598 -0.452 -1.130 1.00 1.00 H new ATOM 0 HE2 HIS A 49 20.980 1.745 0.088 1.00 1.00 H new ATOM 818 N HIS A 50 15.084 -2.054 2.888 1.00 1.00 N ATOM 819 CA HIS A 50 14.003 -2.792 3.569 1.00 1.00 C ATOM 820 C HIS A 50 12.681 -2.206 3.072 1.00 1.00 C ATOM 821 O HIS A 50 11.670 -2.162 3.773 1.00 1.00 O ATOM 822 CB HIS A 50 14.082 -2.711 5.102 1.00 1.00 C ATOM 823 CG HIS A 50 15.261 -3.419 5.695 1.00 1.00 C ATOM 824 ND1 HIS A 50 16.400 -2.782 6.132 1.00 1.00 N ATOM 825 CD2 HIS A 50 15.453 -4.740 5.942 1.00 1.00 C ATOM 826 CE1 HIS A 50 17.230 -3.712 6.622 1.00 1.00 C ATOM 827 NE2 HIS A 50 16.702 -4.915 6.529 1.00 1.00 N ATOM 0 H HIS A 50 15.652 -2.625 2.262 1.00 1.00 H new ATOM 0 HA HIS A 50 14.094 -3.852 3.330 1.00 1.00 H new ATOM 0 HB2 HIS A 50 14.116 -1.662 5.398 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.170 -3.132 5.524 1.00 1.00 H new ATOM 0 HD2 HIS A 50 14.749 -5.528 5.719 1.00 1.00 H new ATOM 0 HE1 HIS A 50 18.204 -3.503 7.039 1.00 1.00 H new ATOM 0 HE2 HIS A 50 17.123 -5.795 6.827 1.00 1.00 H new ATOM 835 N SER A 51 12.742 -1.767 1.820 1.00 1.00 N ATOM 836 CA SER A 51 11.645 -1.113 1.116 1.00 1.00 C ATOM 837 C SER A 51 10.329 -1.888 1.193 1.00 1.00 C ATOM 838 O SER A 51 10.317 -3.107 1.330 1.00 1.00 O ATOM 839 CB SER A 51 12.068 -0.888 -0.332 1.00 1.00 C ATOM 840 OG SER A 51 13.394 -0.380 -0.392 1.00 1.00 O ATOM 0 H SER A 51 13.582 -1.859 1.249 1.00 1.00 H new ATOM 0 HA SER A 51 11.446 -0.160 1.607 1.00 1.00 H new ATOM 0 HB2 SER A 51 12.007 -1.826 -0.884 1.00 1.00 H new ATOM 0 HB3 SER A 51 11.383 -0.189 -0.812 1.00 1.00 H new ATOM 0 HG SER A 51 13.501 0.333 0.271 1.00 1.00 H new ATOM 846 N HIS A 52 9.227 -1.143 1.073 1.00 1.00 N ATOM 847 CA HIS A 52 7.865 -1.685 1.197 1.00 1.00 C ATOM 848 C HIS A 52 7.608 -1.930 2.693 1.00 1.00 C ATOM 849 O HIS A 52 6.751 -2.725 3.086 1.00 1.00 O ATOM 850 CB HIS A 52 7.633 -2.959 0.349 1.00 1.00 C ATOM 851 CG HIS A 52 7.728 -2.742 -1.142 1.00 1.00 C ATOM 852 ND1 HIS A 52 6.647 -2.773 -2.005 1.00 1.00 N ATOM 853 CD2 HIS A 52 8.812 -2.498 -1.922 1.00 1.00 C ATOM 854 CE1 HIS A 52 7.103 -2.554 -3.248 1.00 1.00 C ATOM 855 NE2 HIS A 52 8.407 -2.380 -3.249 1.00 1.00 N ATOM 0 H HIS A 52 9.251 -0.141 0.886 1.00 1.00 H new ATOM 0 HA HIS A 52 7.151 -0.965 0.797 1.00 1.00 H new ATOM 0 HB2 HIS A 52 8.364 -3.713 0.641 1.00 1.00 H new ATOM 0 HB3 HIS A 52 6.648 -3.362 0.583 1.00 1.00 H new ATOM 0 HD2 HIS A 52 9.829 -2.409 -1.569 1.00 1.00 H new ATOM 0 HE1 HIS A 52 6.482 -2.524 -4.131 1.00 1.00 H new ATOM 0 HE2 HIS A 52 9.001 -2.196 -4.058 1.00 1.00 H new ATOM 863 N ARG A 53 8.352 -1.140 3.498 1.00 1.00 N ATOM 864 CA ARG A 53 8.338 -1.172 4.973 1.00 1.00 C ATOM 865 C ARG A 53 6.925 -1.364 5.535 1.00 1.00 C ATOM 866 O ARG A 53 6.657 -2.296 6.284 1.00 1.00 O ATOM 867 CB ARG A 53 8.961 0.139 5.517 1.00 1.00 C ATOM 868 CG ARG A 53 10.435 0.339 5.138 1.00 1.00 C ATOM 869 CD ARG A 53 10.939 1.779 5.393 1.00 1.00 C ATOM 870 NE ARG A 53 10.814 2.209 6.802 1.00 1.00 N ATOM 871 CZ ARG A 53 11.069 3.430 7.247 1.00 1.00 C ATOM 872 NH1 ARG A 53 11.597 4.335 6.481 1.00 1.00 N ATOM 873 NH2 ARG A 53 10.831 3.724 8.490 1.00 1.00 N ATOM 0 H ARG A 53 8.997 -0.443 3.126 1.00 1.00 H new ATOM 0 HA ARG A 53 8.927 -2.029 5.299 1.00 1.00 H new ATOM 0 HB2 ARG A 53 8.383 0.985 5.144 1.00 1.00 H new ATOM 0 HB3 ARG A 53 8.872 0.147 6.603 1.00 1.00 H new ATOM 0 HG2 ARG A 53 11.048 -0.360 5.707 1.00 1.00 H new ATOM 0 HG3 ARG A 53 10.569 0.095 4.084 1.00 1.00 H new ATOM 0 HD2 ARG A 53 11.984 1.848 5.092 1.00 1.00 H new ATOM 0 HD3 ARG A 53 10.379 2.468 4.761 1.00 1.00 H new ATOM 0 HE ARG A 53 10.508 1.513 7.482 1.00 1.00 H new ATOM 0 HH11 ARG A 53 11.825 4.113 5.512 1.00 1.00 H new ATOM 0 HH12 ARG A 53 11.784 5.268 6.848 1.00 1.00 H new ATOM 0 HH21 ARG A 53 10.450 3.016 9.118 1.00 1.00 H new ATOM 0 HH22 ARG A 53 11.025 4.663 8.838 1.00 1.00 H new ATOM 887 N GLY A 54 6.033 -0.464 5.178 1.00 1.00 N ATOM 888 CA GLY A 54 4.659 -0.577 5.621 1.00 1.00 C ATOM 889 C GLY A 54 3.721 -0.812 4.449 1.00 1.00 C ATOM 890 O GLY A 54 2.504 -0.795 4.600 1.00 1.00 O ATOM 0 H GLY A 54 6.231 0.345 4.589 1.00 1.00 H new ATOM 0 HA2 GLY A 54 4.570 -1.398 6.332 1.00 1.00 H new ATOM 0 HA3 GLY A 54 4.368 0.332 6.147 1.00 1.00 H new ATOM 894 N LEU A 55 4.282 -1.093 3.274 1.00 1.00 N ATOM 895 CA LEU A 55 3.449 -1.279 2.083 1.00 1.00 C ATOM 896 C LEU A 55 2.943 -2.708 2.009 1.00 1.00 C ATOM 897 O LEU A 55 1.910 -2.990 1.404 1.00 1.00 O ATOM 898 CB LEU A 55 4.201 -0.934 0.789 1.00 1.00 C ATOM 899 CG LEU A 55 4.403 0.564 0.516 1.00 1.00 C ATOM 900 CD1 LEU A 55 5.354 1.202 1.523 1.00 1.00 C ATOM 901 CD2 LEU A 55 4.915 0.777 -0.902 1.00 1.00 C ATOM 0 H LEU A 55 5.285 -1.195 3.120 1.00 1.00 H new ATOM 0 HA LEU A 55 2.607 -0.593 2.174 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.179 -1.414 0.820 1.00 1.00 H new ATOM 0 HB3 LEU A 55 3.659 -1.368 -0.051 1.00 1.00 H new ATOM 0 HG LEU A 55 3.434 1.052 0.625 1.00 1.00 H new ATOM 0 HD11 LEU A 55 5.469 2.261 1.294 1.00 1.00 H new ATOM 0 HD12 LEU A 55 4.948 1.090 2.528 1.00 1.00 H new ATOM 0 HD13 LEU A 55 6.326 0.711 1.467 1.00 1.00 H new ATOM 0 HD21 LEU A 55 5.054 1.843 -1.082 1.00 1.00 H new ATOM 0 HD22 LEU A 55 5.867 0.261 -1.026 1.00 1.00 H new ATOM 0 HD23 LEU A 55 4.191 0.380 -1.614 1.00 1.00 H new ATOM 913 N LEU A 56 3.661 -3.601 2.669 1.00 1.00 N ATOM 914 CA LEU A 56 3.311 -5.002 2.684 1.00 1.00 C ATOM 915 C LEU A 56 2.018 -5.213 3.472 1.00 1.00 C ATOM 916 O LEU A 56 1.193 -6.057 3.130 1.00 1.00 O ATOM 917 CB LEU A 56 4.467 -5.777 3.291 1.00 1.00 C ATOM 918 CG LEU A 56 5.747 -5.773 2.449 1.00 1.00 C ATOM 919 CD1 LEU A 56 6.851 -6.523 3.169 1.00 1.00 C ATOM 920 CD2 LEU A 56 5.499 -6.385 1.076 1.00 1.00 C ATOM 0 H LEU A 56 4.498 -3.372 3.205 1.00 1.00 H new ATOM 0 HA LEU A 56 3.134 -5.362 1.671 1.00 1.00 H new ATOM 0 HB2 LEU A 56 4.692 -5.360 4.273 1.00 1.00 H new ATOM 0 HB3 LEU A 56 4.153 -6.809 3.447 1.00 1.00 H new ATOM 0 HG LEU A 56 6.058 -4.738 2.307 1.00 1.00 H new ATOM 0 HD11 LEU A 56 7.755 -6.513 2.560 1.00 1.00 H new ATOM 0 HD12 LEU A 56 7.053 -6.042 4.126 1.00 1.00 H new ATOM 0 HD13 LEU A 56 6.540 -7.554 3.339 1.00 1.00 H new ATOM 0 HD21 LEU A 56 6.423 -6.370 0.499 1.00 1.00 H new ATOM 0 HD22 LEU A 56 5.161 -7.415 1.192 1.00 1.00 H new ATOM 0 HD23 LEU A 56 4.735 -5.809 0.553 1.00 1.00 H new ATOM 932 N MET A 57 1.863 -4.426 4.534 1.00 1.00 N ATOM 933 CA MET A 57 0.662 -4.451 5.358 1.00 1.00 C ATOM 934 C MET A 57 -0.554 -4.074 4.512 1.00 1.00 C ATOM 935 O MET A 57 -1.575 -4.757 4.517 1.00 1.00 O ATOM 936 CB MET A 57 0.817 -3.443 6.499 1.00 1.00 C ATOM 937 CG MET A 57 -0.358 -3.391 7.465 1.00 1.00 C ATOM 938 SD MET A 57 -0.153 -2.118 8.727 1.00 1.00 S ATOM 939 CE MET A 57 1.417 -2.593 9.450 1.00 1.00 C ATOM 0 H MET A 57 2.566 -3.755 4.845 1.00 1.00 H new ATOM 0 HA MET A 57 0.521 -5.453 5.764 1.00 1.00 H new ATOM 0 HB2 MET A 57 1.720 -3.685 7.059 1.00 1.00 H new ATOM 0 HB3 MET A 57 0.963 -2.451 6.072 1.00 1.00 H new ATOM 0 HG2 MET A 57 -1.275 -3.202 6.908 1.00 1.00 H new ATOM 0 HG3 MET A 57 -0.472 -4.362 7.947 1.00 1.00 H new ATOM 0 HE1 MET A 57 1.411 -2.364 10.516 1.00 1.00 H new ATOM 0 HE2 MET A 57 1.574 -3.663 9.310 1.00 1.00 H new ATOM 0 HE3 MET A 57 2.223 -2.042 8.965 1.00 1.00 H new ATOM 949 N MET A 58 -0.407 -2.994 3.747 1.00 1.00 N ATOM 950 CA MET A 58 -1.489 -2.507 2.898 1.00 1.00 C ATOM 951 C MET A 58 -1.777 -3.477 1.743 1.00 1.00 C ATOM 952 O MET A 58 -2.936 -3.724 1.415 1.00 1.00 O ATOM 953 CB MET A 58 -1.172 -1.104 2.385 1.00 1.00 C ATOM 954 CG MET A 58 -1.164 -0.062 3.494 1.00 1.00 C ATOM 955 SD MET A 58 -0.831 1.607 2.896 1.00 1.00 S ATOM 956 CE MET A 58 0.839 1.423 2.271 1.00 1.00 C ATOM 0 H MET A 58 0.449 -2.442 3.699 1.00 1.00 H new ATOM 0 HA MET A 58 -2.396 -2.451 3.501 1.00 1.00 H new ATOM 0 HB2 MET A 58 -0.199 -1.113 1.893 1.00 1.00 H new ATOM 0 HB3 MET A 58 -1.908 -0.822 1.632 1.00 1.00 H new ATOM 0 HG2 MET A 58 -2.128 -0.074 4.002 1.00 1.00 H new ATOM 0 HG3 MET A 58 -0.411 -0.333 4.234 1.00 1.00 H new ATOM 0 HE1 MET A 58 1.151 2.349 1.788 1.00 1.00 H new ATOM 0 HE2 MET A 58 1.514 1.199 3.097 1.00 1.00 H new ATOM 0 HE3 MET A 58 0.869 0.608 1.547 1.00 1.00 H new ATOM 966 N VAL A 59 -0.729 -4.024 1.120 1.00 1.00 N ATOM 967 CA VAL A 59 -0.916 -5.011 0.050 1.00 1.00 C ATOM 968 C VAL A 59 -1.641 -6.233 0.630 1.00 1.00 C ATOM 969 O VAL A 59 -2.511 -6.827 -0.010 1.00 1.00 O ATOM 970 CB VAL A 59 0.436 -5.423 -0.592 1.00 1.00 C ATOM 971 CG1 VAL A 59 0.272 -6.578 -1.572 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.059 -4.233 -1.301 1.00 1.00 C ATOM 0 H VAL A 59 0.244 -3.805 1.333 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.517 -4.566 -0.743 1.00 1.00 H new ATOM 0 HB VAL A 59 1.092 -5.758 0.211 1.00 1.00 H new ATOM 0 HG11 VAL A 59 1.242 -6.834 -1.998 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -0.135 -7.444 -1.049 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.409 -6.284 -2.371 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.007 -4.531 -1.748 1.00 1.00 H new ATOM 0 HG22 VAL A 59 0.385 -3.880 -2.081 1.00 1.00 H new ATOM 0 HG23 VAL A 59 1.233 -3.432 -0.583 1.00 1.00 H new ATOM 982 N GLY A 60 -1.290 -6.574 1.868 1.00 1.00 N ATOM 983 CA GLY A 60 -1.932 -7.674 2.563 1.00 1.00 C ATOM 984 C GLY A 60 -3.403 -7.391 2.860 1.00 1.00 C ATOM 985 O GLY A 60 -4.258 -8.253 2.663 1.00 1.00 O ATOM 0 H GLY A 60 -0.564 -6.101 2.406 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -1.853 -8.578 1.959 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.405 -7.867 3.498 1.00 1.00 H new ATOM 989 N GLN A 61 -3.710 -6.170 3.304 1.00 1.00 N ATOM 990 CA GLN A 61 -5.098 -5.803 3.617 1.00 1.00 C ATOM 991 C GLN A 61 -5.919 -5.674 2.337 1.00 1.00 C ATOM 992 O GLN A 61 -7.139 -5.852 2.345 1.00 1.00 O ATOM 993 CB GLN A 61 -5.168 -4.487 4.399 1.00 1.00 C ATOM 994 CG GLN A 61 -4.525 -4.567 5.768 1.00 1.00 C ATOM 995 CD GLN A 61 -4.682 -3.287 6.561 1.00 1.00 C ATOM 996 OE1 GLN A 61 -3.855 -2.391 6.492 1.00 1.00 O ATOM 997 NE2 GLN A 61 -5.753 -3.190 7.323 1.00 1.00 N ATOM 0 H GLN A 61 -3.029 -5.426 3.454 1.00 1.00 H new ATOM 0 HA GLN A 61 -5.512 -6.598 4.238 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -4.679 -3.703 3.821 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -6.212 -4.195 4.512 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -4.968 -5.392 6.326 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -3.465 -4.792 5.655 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -6.425 -3.957 7.358 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -5.910 -2.348 7.877 1.00 1.00 H new ATOM 1006 N ARG A 62 -5.234 -5.393 1.229 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.884 -5.238 -0.050 1.00 1.00 C ATOM 1008 C ARG A 62 -6.254 -6.606 -0.617 1.00 1.00 C ATOM 1009 O ARG A 62 -7.261 -6.750 -1.299 1.00 1.00 O ATOM 1010 CB ARG A 62 -4.972 -4.467 -1.008 1.00 1.00 C ATOM 1011 CG ARG A 62 -5.599 -4.170 -2.362 1.00 1.00 C ATOM 1012 CD ARG A 62 -4.663 -3.351 -3.262 1.00 1.00 C ATOM 1013 NE ARG A 62 -3.401 -4.055 -3.545 1.00 1.00 N ATOM 1014 CZ ARG A 62 -2.373 -3.535 -4.175 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -2.424 -2.336 -4.664 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -1.292 -4.242 -4.327 1.00 1.00 N ATOM 0 H ARG A 62 -4.222 -5.269 1.203 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.803 -4.666 0.077 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -4.684 -3.526 -0.539 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.057 -5.040 -1.161 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -5.851 -5.107 -2.858 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -6.532 -3.625 -2.218 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -5.170 -3.127 -4.201 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -4.444 -2.397 -2.782 1.00 1.00 H new ATOM 0 HE ARG A 62 -3.319 -5.021 -3.227 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -3.273 -1.780 -4.563 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -1.615 -1.949 -5.150 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -1.248 -5.192 -3.958 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -0.488 -3.847 -4.815 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.439 -7.620 -0.329 1.00 1.00 N ATOM 1031 CA ARG A 63 -5.758 -8.957 -0.801 1.00 1.00 C ATOM 1032 C ARG A 63 -6.711 -9.642 0.190 1.00 1.00 C ATOM 1033 O ARG A 63 -7.441 -10.562 -0.168 1.00 1.00 O ATOM 1034 CB ARG A 63 -4.497 -9.786 -1.103 1.00 1.00 C ATOM 1035 CG ARG A 63 -3.523 -9.986 0.053 1.00 1.00 C ATOM 1036 CD ARG A 63 -2.239 -10.678 -0.436 1.00 1.00 C ATOM 1037 NE ARG A 63 -1.263 -10.920 0.642 1.00 1.00 N ATOM 1038 CZ ARG A 63 0.035 -11.089 0.462 1.00 1.00 C ATOM 1039 NH1 ARG A 63 0.568 -10.973 -0.713 1.00 1.00 N ATOM 1040 NH2 ARG A 63 0.794 -11.366 1.475 1.00 1.00 N ATOM 0 H ARG A 63 -4.578 -7.542 0.213 1.00 1.00 H new ATOM 0 HA ARG A 63 -6.275 -8.877 -1.757 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -4.811 -10.767 -1.459 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -3.961 -9.306 -1.922 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -3.276 -9.022 0.499 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -3.993 -10.587 0.832 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -2.501 -11.629 -0.900 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -1.774 -10.064 -1.207 1.00 1.00 H new ATOM 0 HE ARG A 63 -1.616 -10.960 1.598 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -0.016 -10.748 -1.518 1.00 1.00 H new ATOM 0 HH12 ARG A 63 1.572 -11.107 -0.833 1.00 1.00 H new ATOM 0 HH21 ARG A 63 0.389 -11.453 2.407 1.00 1.00 H new ATOM 0 HH22 ARG A 63 1.797 -11.497 1.340 1.00 1.00 H new ATOM 1054 N ARG A 64 -6.708 -9.179 1.443 1.00 1.00 N ATOM 1055 CA ARG A 64 -7.649 -9.693 2.441 1.00 1.00 C ATOM 1056 C ARG A 64 -9.047 -9.121 2.155 1.00 1.00 C ATOM 1057 O ARG A 64 -10.069 -9.760 2.417 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.248 -9.295 3.869 1.00 1.00 C ATOM 1059 CG ARG A 64 -8.234 -9.826 4.903 1.00 1.00 C ATOM 1060 CD ARG A 64 -7.988 -9.297 6.317 1.00 1.00 C ATOM 1061 NE ARG A 64 -8.996 -9.821 7.258 1.00 1.00 N ATOM 1062 CZ ARG A 64 -9.510 -9.156 8.268 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -9.130 -7.951 8.531 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -10.414 -9.719 9.011 1.00 1.00 N ATOM 0 H ARG A 64 -6.073 -8.459 1.787 1.00 1.00 H new ATOM 0 HA ARG A 64 -7.643 -10.781 2.372 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.251 -9.679 4.087 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -7.195 -8.209 3.942 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -9.246 -9.561 4.597 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -8.180 -10.915 4.918 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -6.990 -9.585 6.649 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -8.020 -8.207 6.313 1.00 1.00 H new ATOM 0 HE ARG A 64 -9.320 -10.777 7.113 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -8.421 -7.502 7.951 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -9.539 -7.448 9.319 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -10.720 -10.671 8.809 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -10.818 -9.210 9.797 1.00 1.00 H new ATOM 1078 N LEU A 65 -9.054 -7.910 1.591 1.00 1.00 N ATOM 1079 CA LEU A 65 -10.281 -7.172 1.253 1.00 1.00 C ATOM 1080 C LEU A 65 -11.257 -8.015 0.413 1.00 1.00 C ATOM 1081 O LEU A 65 -12.472 -7.846 0.501 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.894 -5.892 0.495 1.00 1.00 C ATOM 1083 CG LEU A 65 -11.036 -4.919 0.183 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -11.619 -4.338 1.463 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -10.540 -3.807 -0.731 1.00 1.00 C ATOM 0 H LEU A 65 -8.200 -7.406 1.352 1.00 1.00 H new ATOM 0 HA LEU A 65 -10.798 -6.924 2.180 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -9.142 -5.362 1.080 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -9.423 -6.180 -0.445 1.00 1.00 H new ATOM 0 HG LEU A 65 -11.827 -5.468 -0.328 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -12.428 -3.651 1.215 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -12.006 -5.145 2.085 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -10.841 -3.802 2.007 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -11.359 -3.121 -0.947 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -9.732 -3.265 -0.239 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -10.173 -4.238 -1.662 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.702 -8.930 -0.378 1.00 1.00 N ATOM 1098 CA LEU A 66 -11.471 -9.825 -1.252 1.00 1.00 C ATOM 1099 C LEU A 66 -12.684 -10.469 -0.548 1.00 1.00 C ATOM 1100 O LEU A 66 -13.830 -10.148 -0.859 1.00 1.00 O ATOM 1101 CB LEU A 66 -10.523 -10.917 -1.773 1.00 1.00 C ATOM 1102 CG LEU A 66 -11.139 -12.036 -2.629 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -11.763 -11.482 -3.902 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -10.070 -13.066 -2.975 1.00 1.00 C ATOM 0 H LEU A 66 -9.694 -9.076 -0.434 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.878 -9.230 -2.070 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -9.742 -10.434 -2.361 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.036 -11.379 -0.914 1.00 1.00 H new ATOM 0 HG LEU A 66 -11.930 -12.512 -2.050 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -12.189 -12.299 -4.484 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -12.549 -10.773 -3.643 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -10.998 -10.977 -4.492 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -10.510 -13.857 -3.582 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -9.268 -12.584 -3.534 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -9.667 -13.494 -2.057 1.00 1.00 H new ATOM 1116 N ARG A 67 -12.427 -11.332 0.435 1.00 1.00 N ATOM 1117 CA ARG A 67 -13.512 -12.046 1.138 1.00 1.00 C ATOM 1118 C ARG A 67 -14.267 -11.165 2.128 1.00 1.00 C ATOM 1119 O ARG A 67 -15.145 -11.644 2.839 1.00 1.00 O ATOM 1120 CB ARG A 67 -12.988 -13.270 1.894 1.00 1.00 C ATOM 1121 CG ARG A 67 -12.315 -14.321 1.030 1.00 1.00 C ATOM 1122 CD ARG A 67 -11.915 -15.549 1.860 1.00 1.00 C ATOM 1123 NE ARG A 67 -10.968 -15.221 2.945 1.00 1.00 N ATOM 1124 CZ ARG A 67 -10.559 -16.068 3.868 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -11.054 -17.263 3.941 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -9.669 -15.693 4.741 1.00 1.00 N ATOM 0 H ARG A 67 -11.489 -11.557 0.766 1.00 1.00 H new ATOM 0 HA ARG A 67 -14.199 -12.355 0.350 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -12.278 -12.934 2.650 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -13.820 -13.735 2.423 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -12.990 -14.624 0.229 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -11.430 -13.895 0.557 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -12.810 -16.000 2.289 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -11.465 -16.295 1.204 1.00 1.00 H new ATOM 0 HE ARG A 67 -10.604 -14.269 2.983 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -11.771 -17.560 3.278 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -10.727 -17.907 4.661 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -9.291 -14.746 4.709 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -9.350 -16.346 5.457 1.00 1.00 H new ATOM 1140 N TYR A 68 -13.923 -9.900 2.202 1.00 1.00 N ATOM 1141 CA TYR A 68 -14.621 -9.002 3.106 1.00 1.00 C ATOM 1142 C TYR A 68 -15.546 -8.091 2.308 1.00 1.00 C ATOM 1143 O TYR A 68 -16.765 -8.160 2.423 1.00 1.00 O ATOM 1144 CB TYR A 68 -13.631 -8.169 3.926 1.00 1.00 C ATOM 1145 CG TYR A 68 -14.314 -7.199 4.865 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -14.858 -7.634 6.069 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -14.429 -5.853 4.541 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -15.501 -6.754 6.918 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -15.075 -4.971 5.383 1.00 1.00 C ATOM 1150 CZ TYR A 68 -15.605 -5.423 6.569 1.00 1.00 C ATOM 1151 OH TYR A 68 -16.251 -4.542 7.402 1.00 1.00 O ATOM 0 H TYR A 68 -13.176 -9.470 1.657 1.00 1.00 H new ATOM 0 HA TYR A 68 -15.213 -9.598 3.801 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -12.993 -8.837 4.504 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.982 -7.615 3.248 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -14.777 -8.675 6.344 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -14.006 -5.491 3.615 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -15.920 -7.106 7.849 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -15.164 -3.929 5.112 1.00 1.00 H new ATOM 0 HH TYR A 68 -16.233 -3.645 7.007 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.939 -7.295 1.446 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.656 -6.339 0.608 1.00 1.00 C ATOM 1163 C LEU A 69 -16.726 -7.012 -0.252 1.00 1.00 C ATOM 1164 O LEU A 69 -17.867 -6.574 -0.298 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.647 -5.638 -0.300 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.209 -4.561 -1.225 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -15.692 -3.360 -0.425 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -14.148 -4.146 -2.231 1.00 1.00 C ATOM 0 H LEU A 69 -13.929 -7.290 1.304 1.00 1.00 H new ATOM 0 HA LEU A 69 -16.162 -5.627 1.260 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -13.879 -5.185 0.327 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -14.154 -6.393 -0.913 1.00 1.00 H new ATOM 0 HG LEU A 69 -16.065 -4.969 -1.762 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -16.088 -2.606 -1.105 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -16.475 -3.674 0.265 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -14.859 -2.939 0.138 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -14.552 -3.377 -2.890 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -13.280 -3.752 -1.703 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -13.850 -5.011 -2.823 1.00 1.00 H new ATOM 1180 N GLN A 70 -16.347 -8.098 -0.897 1.00 1.00 N ATOM 1181 CA GLN A 70 -17.258 -8.820 -1.786 1.00 1.00 C ATOM 1182 C GLN A 70 -18.360 -9.528 -1.020 1.00 1.00 C ATOM 1183 O GLN A 70 -19.487 -9.655 -1.491 1.00 1.00 O ATOM 1184 CB GLN A 70 -16.460 -9.845 -2.587 1.00 1.00 C ATOM 1185 CG GLN A 70 -17.302 -10.722 -3.496 1.00 1.00 C ATOM 1186 CD GLN A 70 -16.456 -11.709 -4.269 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -16.010 -11.435 -5.374 1.00 1.00 O ATOM 1188 NE2 GLN A 70 -16.213 -12.863 -3.683 1.00 1.00 N ATOM 0 H GLN A 70 -15.415 -8.506 -0.827 1.00 1.00 H new ATOM 0 HA GLN A 70 -17.730 -8.094 -2.448 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -15.720 -9.320 -3.192 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -15.911 -10.482 -1.894 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -18.037 -11.263 -2.900 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -17.857 -10.095 -4.194 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -16.601 -13.058 -2.760 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -15.636 -13.562 -4.152 1.00 1.00 H new ATOM 1197 N ARG A 71 -18.032 -9.948 0.170 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.956 -10.686 0.999 1.00 1.00 C ATOM 1199 C ARG A 71 -20.029 -9.800 1.636 1.00 1.00 C ATOM 1200 O ARG A 71 -21.198 -10.171 1.679 1.00 1.00 O ATOM 1201 CB ARG A 71 -18.160 -11.375 2.085 1.00 1.00 C ATOM 1202 CG ARG A 71 -18.955 -12.357 2.907 1.00 1.00 C ATOM 1203 CD ARG A 71 -18.139 -12.816 4.102 1.00 1.00 C ATOM 1204 NE ARG A 71 -17.880 -11.710 5.033 1.00 1.00 N ATOM 1205 CZ ARG A 71 -16.864 -11.634 5.848 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -15.928 -12.533 5.840 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -16.787 -10.630 6.665 1.00 1.00 N ATOM 0 H ARG A 71 -17.119 -9.791 0.596 1.00 1.00 H new ATOM 0 HA ARG A 71 -19.481 -11.402 0.367 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -17.320 -11.898 1.628 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.741 -10.618 2.749 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -19.882 -11.894 3.246 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -19.233 -13.215 2.295 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -18.670 -13.614 4.622 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -17.192 -13.234 3.759 1.00 1.00 H new ATOM 0 HE ARG A 71 -18.548 -10.939 5.043 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -15.979 -13.316 5.189 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -15.142 -12.456 6.485 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -17.514 -9.915 6.664 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -15.999 -10.556 7.309 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.639 -8.617 2.087 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.587 -7.722 2.764 1.00 1.00 C ATOM 1223 C GLU A 72 -21.437 -6.931 1.758 1.00 1.00 C ATOM 1224 O GLU A 72 -22.361 -6.207 2.141 1.00 1.00 O ATOM 1225 CB GLU A 72 -19.846 -6.758 3.700 1.00 1.00 C ATOM 1226 CG GLU A 72 -18.799 -7.410 4.606 1.00 1.00 C ATOM 1227 CD GLU A 72 -19.342 -8.514 5.500 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -19.517 -9.652 5.014 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -19.535 -8.260 6.705 1.00 1.00 O ATOM 0 H GLU A 72 -18.690 -8.252 2.002 1.00 1.00 H new ATOM 0 HA GLU A 72 -21.258 -8.345 3.354 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -19.356 -5.994 3.096 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -20.579 -6.248 4.326 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -18.004 -7.821 3.984 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -18.348 -6.640 5.233 1.00 1.00 H new ATOM 1236 N ASP A 73 -21.129 -7.112 0.476 1.00 1.00 N ATOM 1237 CA ASP A 73 -21.810 -6.442 -0.622 1.00 1.00 C ATOM 1238 C ASP A 73 -21.145 -6.865 -1.940 1.00 1.00 C ATOM 1239 O ASP A 73 -20.003 -6.485 -2.226 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.742 -4.918 -0.455 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.605 -4.165 -1.450 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -22.548 -4.487 -2.655 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -23.316 -3.229 -1.036 1.00 1.00 O ATOM 0 H ASP A 73 -20.386 -7.740 0.169 1.00 1.00 H new ATOM 0 HA ASP A 73 -22.862 -6.728 -0.628 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -22.053 -4.656 0.556 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.707 -4.594 -0.564 1.00 1.00 H new ATOM 1248 N PRO A 74 -21.836 -7.665 -2.763 1.00 1.00 N ATOM 1249 CA PRO A 74 -21.281 -8.137 -4.035 1.00 1.00 C ATOM 1250 C PRO A 74 -21.022 -6.998 -5.019 1.00 1.00 C ATOM 1251 O PRO A 74 -20.107 -7.069 -5.847 1.00 1.00 O ATOM 1252 CB PRO A 74 -22.361 -9.071 -4.579 1.00 1.00 C ATOM 1253 CG PRO A 74 -23.619 -8.664 -3.888 1.00 1.00 C ATOM 1254 CD PRO A 74 -23.206 -8.149 -2.536 1.00 1.00 C ATOM 0 HA PRO A 74 -20.314 -8.619 -3.895 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -22.457 -8.973 -5.660 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -22.119 -10.114 -4.373 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -24.143 -7.894 -4.455 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -24.301 -9.509 -3.791 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -23.863 -7.350 -2.192 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -23.235 -8.934 -1.780 1.00 1.00 H new ATOM 1262 N GLU A 75 -21.803 -5.933 -4.901 1.00 1.00 N ATOM 1263 CA GLU A 75 -21.653 -4.793 -5.782 1.00 1.00 C ATOM 1264 C GLU A 75 -20.423 -4.014 -5.384 1.00 1.00 C ATOM 1265 O GLU A 75 -19.661 -3.557 -6.231 1.00 1.00 O ATOM 1266 CB GLU A 75 -22.862 -3.863 -5.714 1.00 1.00 C ATOM 1267 CG GLU A 75 -24.147 -4.474 -6.239 1.00 1.00 C ATOM 1268 CD GLU A 75 -24.064 -4.817 -7.713 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -24.133 -3.894 -8.545 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -23.915 -6.017 -8.042 1.00 1.00 O ATOM 0 H GLU A 75 -22.543 -5.839 -4.205 1.00 1.00 H new ATOM 0 HA GLU A 75 -21.564 -5.169 -6.801 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -23.014 -3.559 -4.679 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -22.644 -2.959 -6.283 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -24.376 -5.376 -5.671 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -24.970 -3.778 -6.077 1.00 1.00 H new ATOM 1277 N ARG A 76 -20.211 -3.874 -4.079 1.00 1.00 N ATOM 1278 CA ARG A 76 -19.057 -3.132 -3.614 1.00 1.00 C ATOM 1279 C ARG A 76 -17.746 -3.793 -4.030 1.00 1.00 C ATOM 1280 O ARG A 76 -16.746 -3.104 -4.176 1.00 1.00 O ATOM 1281 CB ARG A 76 -19.073 -2.864 -2.108 1.00 1.00 C ATOM 1282 CG ARG A 76 -20.000 -1.711 -1.732 1.00 1.00 C ATOM 1283 CD ARG A 76 -19.818 -0.552 -2.710 1.00 1.00 C ATOM 1284 NE ARG A 76 -20.266 0.752 -2.212 1.00 1.00 N ATOM 1285 CZ ARG A 76 -21.055 1.554 -2.869 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -21.911 1.093 -3.740 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -21.052 2.815 -2.579 1.00 1.00 N ATOM 0 H ARG A 76 -20.809 -4.255 -3.346 1.00 1.00 H new ATOM 0 HA ARG A 76 -19.123 -2.162 -4.106 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -19.389 -3.766 -1.584 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -18.061 -2.638 -1.771 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -21.036 -2.048 -1.744 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -19.785 -1.378 -0.717 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -18.763 -0.481 -2.974 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -20.361 -0.781 -3.627 1.00 1.00 H new ATOM 0 HE ARG A 76 -19.939 1.050 -1.293 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -21.970 0.090 -3.915 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -22.521 1.736 -4.245 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -20.438 3.168 -1.845 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -21.664 3.456 -3.084 1.00 1.00 H new ATOM 1301 N TYR A 77 -17.731 -5.110 -4.238 1.00 1.00 N ATOM 1302 CA TYR A 77 -16.498 -5.745 -4.696 1.00 1.00 C ATOM 1303 C TYR A 77 -16.134 -5.164 -6.041 1.00 1.00 C ATOM 1304 O TYR A 77 -15.176 -4.399 -6.191 1.00 1.00 O ATOM 1305 CB TYR A 77 -16.655 -7.260 -4.909 1.00 1.00 C ATOM 1306 CG TYR A 77 -15.399 -7.908 -5.473 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -14.220 -7.891 -4.746 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -15.389 -8.526 -6.726 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -13.064 -8.460 -5.242 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -14.232 -9.101 -7.228 1.00 1.00 C ATOM 1311 CZ TYR A 77 -13.074 -9.066 -6.480 1.00 1.00 C ATOM 1312 OH TYR A 77 -11.920 -9.631 -6.974 1.00 1.00 O ATOM 0 H TYR A 77 -18.525 -5.736 -4.103 1.00 1.00 H new ATOM 0 HA TYR A 77 -15.743 -5.568 -3.930 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -16.907 -7.732 -3.959 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -17.489 -7.443 -5.587 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -14.205 -7.424 -3.772 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -16.296 -8.556 -7.312 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -12.154 -8.430 -4.661 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -14.237 -9.574 -8.199 1.00 1.00 H new ATOM 0 HH TYR A 77 -12.097 -10.017 -7.857 1.00 1.00 H new ATOM 1322 N ARG A 78 -16.991 -5.482 -7.002 1.00 1.00 N ATOM 1323 CA ARG A 78 -16.800 -5.096 -8.362 1.00 1.00 C ATOM 1324 C ARG A 78 -16.869 -3.589 -8.591 1.00 1.00 C ATOM 1325 O ARG A 78 -16.201 -3.079 -9.475 1.00 1.00 O ATOM 1326 CB ARG A 78 -17.776 -5.864 -9.264 1.00 1.00 C ATOM 1327 CG ARG A 78 -19.261 -5.874 -8.862 1.00 1.00 C ATOM 1328 CD ARG A 78 -20.003 -6.896 -9.739 1.00 1.00 C ATOM 1329 NE ARG A 78 -21.443 -7.017 -9.462 1.00 1.00 N ATOM 1330 CZ ARG A 78 -22.198 -7.989 -9.911 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -21.691 -8.973 -10.599 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -23.467 -7.982 -9.650 1.00 1.00 N ATOM 0 H ARG A 78 -17.842 -6.021 -6.840 1.00 1.00 H new ATOM 0 HA ARG A 78 -15.779 -5.367 -8.632 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -17.703 -5.448 -10.269 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -17.437 -6.898 -9.322 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -19.365 -6.134 -7.809 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -19.694 -4.882 -8.990 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -19.871 -6.620 -10.785 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -19.538 -7.873 -9.606 1.00 1.00 H new ATOM 0 HE ARG A 78 -21.881 -6.299 -8.884 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -20.690 -8.995 -10.796 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -22.295 -9.721 -10.940 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -23.870 -7.224 -9.099 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -24.063 -8.734 -9.995 1.00 1.00 H new ATOM 1346 N ALA A 79 -17.614 -2.855 -7.787 1.00 1.00 N ATOM 1347 CA ALA A 79 -17.685 -1.423 -8.023 1.00 1.00 C ATOM 1348 C ALA A 79 -16.582 -0.647 -7.308 1.00 1.00 C ATOM 1349 O ALA A 79 -16.217 0.436 -7.747 1.00 1.00 O ATOM 1350 CB ALA A 79 -19.053 -0.867 -7.706 1.00 1.00 C ATOM 0 H ALA A 79 -18.157 -3.204 -6.998 1.00 1.00 H new ATOM 0 HA ALA A 79 -17.514 -1.285 -9.091 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -19.063 0.206 -7.896 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -19.798 -1.354 -8.335 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -19.287 -1.052 -6.658 1.00 1.00 H new ATOM 1356 N LEU A 80 -16.036 -1.155 -6.214 1.00 1.00 N ATOM 1357 CA LEU A 80 -14.948 -0.423 -5.591 1.00 1.00 C ATOM 1358 C LEU A 80 -13.674 -0.698 -6.381 1.00 1.00 C ATOM 1359 O LEU A 80 -12.773 0.132 -6.441 1.00 1.00 O ATOM 1360 CB LEU A 80 -14.763 -0.771 -4.116 1.00 1.00 C ATOM 1361 CG LEU A 80 -13.656 0.015 -3.391 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -13.916 1.516 -3.441 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -13.535 -0.448 -1.948 1.00 1.00 C ATOM 0 H LEU A 80 -16.310 -2.026 -5.759 1.00 1.00 H new ATOM 0 HA LEU A 80 -15.190 0.640 -5.613 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -15.707 -0.600 -3.598 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -14.543 -1.836 -4.035 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.716 -0.182 -3.907 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -13.116 2.041 -2.920 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -13.950 1.845 -4.480 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -14.869 1.737 -2.959 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -12.748 0.118 -1.449 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -14.482 -0.284 -1.433 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -13.289 -1.510 -1.926 1.00 1.00 H new ATOM 1375 N ILE A 81 -13.623 -1.844 -7.052 1.00 1.00 N ATOM 1376 CA ILE A 81 -12.445 -2.152 -7.843 1.00 1.00 C ATOM 1377 C ILE A 81 -12.531 -1.376 -9.152 1.00 1.00 C ATOM 1378 O ILE A 81 -11.524 -1.075 -9.796 1.00 1.00 O ATOM 1379 CB ILE A 81 -12.193 -3.673 -8.003 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -13.341 -4.436 -8.670 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -11.964 -4.245 -6.616 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -13.341 -4.379 -10.177 1.00 1.00 C ATOM 0 H ILE A 81 -14.358 -2.551 -7.064 1.00 1.00 H new ATOM 0 HA ILE A 81 -11.551 -1.822 -7.314 1.00 1.00 H new ATOM 0 HB ILE A 81 -11.332 -3.793 -8.661 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -13.295 -5.480 -8.359 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -14.287 -4.036 -8.304 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -11.783 -5.317 -6.690 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -11.099 -3.761 -6.161 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -12.845 -4.068 -5.999 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -14.188 -4.946 -10.563 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -13.421 -3.342 -10.502 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -12.414 -4.808 -10.557 1.00 1.00 H new ATOM 1394 N GLU A 82 -13.764 -1.056 -9.527 1.00 1.00 N ATOM 1395 CA GLU A 82 -14.033 -0.190 -10.655 1.00 1.00 C ATOM 1396 C GLU A 82 -13.596 1.238 -10.272 1.00 1.00 C ATOM 1397 O GLU A 82 -12.858 1.890 -11.001 1.00 1.00 O ATOM 1398 CB GLU A 82 -15.533 -0.204 -10.968 1.00 1.00 C ATOM 1399 CG GLU A 82 -15.935 0.657 -12.154 1.00 1.00 C ATOM 1400 CD GLU A 82 -15.283 0.207 -13.449 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -15.644 -0.878 -13.956 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -14.398 0.929 -13.950 1.00 1.00 O ATOM 0 H GLU A 82 -14.602 -1.393 -9.053 1.00 1.00 H new ATOM 0 HA GLU A 82 -13.488 -0.531 -11.535 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -15.842 -1.232 -11.159 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -16.079 0.135 -10.087 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -17.019 0.629 -12.268 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -15.662 1.693 -11.955 1.00 1.00 H new ATOM 1409 N LYS A 83 -14.014 1.685 -9.070 1.00 1.00 N ATOM 1410 CA LYS A 83 -13.673 3.035 -8.577 1.00 1.00 C ATOM 1411 C LYS A 83 -12.155 3.223 -8.436 1.00 1.00 C ATOM 1412 O LYS A 83 -11.597 4.217 -8.891 1.00 1.00 O ATOM 1413 CB LYS A 83 -14.317 3.328 -7.210 1.00 1.00 C ATOM 1414 CG LYS A 83 -15.841 3.351 -7.192 1.00 1.00 C ATOM 1415 CD LYS A 83 -16.348 3.993 -5.905 1.00 1.00 C ATOM 1416 CE LYS A 83 -17.869 4.029 -5.814 1.00 1.00 C ATOM 1417 NZ LYS A 83 -18.449 2.740 -5.347 1.00 1.00 N ATOM 0 H LYS A 83 -14.584 1.135 -8.427 1.00 1.00 H new ATOM 0 HA LYS A 83 -14.064 3.728 -9.322 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -13.974 2.577 -6.498 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -13.953 4.292 -6.856 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -16.213 3.906 -8.054 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -16.227 2.335 -7.276 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -15.952 3.443 -5.051 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -15.962 5.010 -5.837 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -18.169 4.825 -5.133 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -18.281 4.274 -6.793 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -19.374 2.591 -5.799 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -17.810 1.960 -5.601 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -18.569 2.767 -4.314 1.00 1.00 H new ATOM 1431 N LEU A 84 -11.495 2.273 -7.776 1.00 1.00 N ATOM 1432 CA LEU A 84 -10.046 2.343 -7.584 1.00 1.00 C ATOM 1433 C LEU A 84 -9.308 2.284 -8.919 1.00 1.00 C ATOM 1434 O LEU A 84 -8.329 2.992 -9.139 1.00 1.00 O ATOM 1435 CB LEU A 84 -9.565 1.180 -6.704 1.00 1.00 C ATOM 1436 CG LEU A 84 -10.111 1.155 -5.274 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -9.661 -0.109 -4.556 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -9.658 2.382 -4.503 1.00 1.00 C ATOM 0 H LEU A 84 -11.937 1.450 -7.367 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.828 3.293 -7.097 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -9.836 0.244 -7.192 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -8.476 1.212 -6.656 1.00 1.00 H new ATOM 0 HG LEU A 84 -11.200 1.162 -5.326 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -10.057 -0.111 -3.541 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -10.031 -0.983 -5.092 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -8.572 -0.139 -4.520 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -10.058 2.343 -3.490 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -8.569 2.405 -4.463 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -10.022 3.280 -5.002 1.00 1.00 H new ATOM 1450 N GLY A 85 -9.798 1.447 -9.813 1.00 1.00 N ATOM 1451 CA GLY A 85 -9.144 1.281 -11.092 1.00 1.00 C ATOM 1452 C GLY A 85 -8.285 0.043 -11.086 1.00 1.00 C ATOM 1453 O GLY A 85 -7.114 0.052 -11.438 1.00 1.00 O ATOM 0 H GLY A 85 -10.635 0.880 -9.679 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -9.891 1.209 -11.883 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -8.531 2.156 -11.310 1.00 1.00 H new ATOM 1457 N ILE A 86 -8.887 -1.018 -10.623 1.00 1.00 N ATOM 1458 CA ILE A 86 -8.238 -2.294 -10.531 1.00 1.00 C ATOM 1459 C ILE A 86 -8.631 -3.151 -11.770 1.00 1.00 C ATOM 1460 O ILE A 86 -8.086 -4.227 -12.040 1.00 1.00 O ATOM 1461 CB ILE A 86 -8.691 -2.931 -9.192 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -7.829 -2.368 -8.034 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -8.691 -4.447 -9.216 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -8.212 -2.890 -6.659 1.00 1.00 C ATOM 0 H ILE A 86 -9.853 -1.019 -10.296 1.00 1.00 H new ATOM 0 HA ILE A 86 -7.151 -2.216 -10.535 1.00 1.00 H new ATOM 0 HB ILE A 86 -9.733 -2.654 -9.030 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -6.783 -2.611 -8.224 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -7.909 -1.281 -8.032 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -9.018 -4.826 -8.248 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -9.371 -4.799 -9.992 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -7.684 -4.808 -9.425 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -7.560 -2.446 -5.907 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -9.247 -2.624 -6.444 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -8.104 -3.974 -6.638 1.00 1.00 H new ATOM 1476 N ARG A 87 -9.560 -2.607 -12.588 1.00 1.00 N ATOM 1477 CA ARG A 87 -10.081 -3.268 -13.824 1.00 1.00 C ATOM 1478 C ARG A 87 -9.028 -3.233 -14.960 1.00 1.00 C ATOM 1479 O ARG A 87 -9.036 -4.044 -15.889 1.00 1.00 O ATOM 1480 CB ARG A 87 -11.360 -2.551 -14.260 1.00 1.00 C ATOM 1481 CG ARG A 87 -12.528 -2.845 -13.357 1.00 1.00 C ATOM 1482 CD ARG A 87 -12.991 -4.285 -13.561 1.00 1.00 C ATOM 1483 NE ARG A 87 -13.463 -4.527 -14.934 1.00 1.00 N ATOM 1484 CZ ARG A 87 -13.536 -5.701 -15.502 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -13.159 -6.769 -14.870 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -13.978 -5.799 -16.718 1.00 1.00 N ATOM 0 H ARG A 87 -9.977 -1.692 -12.415 1.00 1.00 H new ATOM 0 HA ARG A 87 -10.296 -4.315 -13.609 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.181 -1.476 -14.277 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.609 -2.849 -15.278 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -12.243 -2.689 -12.317 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.346 -2.157 -13.570 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -12.169 -4.965 -13.336 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -13.793 -4.510 -12.858 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.755 -3.718 -15.483 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -12.800 -6.698 -13.918 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -13.221 -7.680 -15.325 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -14.266 -4.962 -17.225 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -14.037 -6.713 -17.167 1.00 1.00 H new ATOM 1500 N GLY A 88 -8.236 -2.192 -14.743 1.00 1.00 N ATOM 1501 CA GLY A 88 -7.017 -1.768 -15.474 1.00 1.00 C ATOM 1502 C GLY A 88 -7.121 -0.338 -15.945 1.00 1.00 C ATOM 1503 O GLY A 88 -6.640 -0.090 -17.122 1.00 1.00 O ATOM 1504 OXT GLY A 88 -7.615 0.505 -15.190 1.00 1.00 O ATOM 0 H GLY A 88 -8.439 -1.550 -13.977 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -6.147 -1.876 -14.826 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -6.859 -2.423 -16.331 1.00 1.00 H new