USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 530 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 56 TYR OH : rot 145:sc= 0.529 USER MOD Single : A 31 GLN : amide:sc= -0.0551 X(o=-0.055,f=0) USER MOD Single : A 37 GLN : amide:sc= -0.0524 K(o=-0.052,f=-1.7!) USER MOD Single : A 38 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.0115) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -169:sc= 0.181 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.0165 X(o=-0.016,f=-0.099) USER MOD Single : A 64 THR OG1 : rot -170:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 138:sc= -0.183 (180deg=-0.869) USER MOD Single : A 67 HIS : no HE2:sc= -0.33 X(o=-0.33,f=-0.76) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 69:sc= 0.391 USER MOD Single : A 78 THR OG1 : rot 33:sc= 0.294 USER MOD Single : A 79 CYS SG : rot 80:sc= -0.614 USER MOD Single : A 83 HIS : no HE2:sc= -7.01! C(o=-7!,f=-6.9!) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= 0 X(o=0,f=-0.00034) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 7.887 -3.669 0.596 1.00 0.00 N ATOM 331 CA ALA A 26 7.655 -2.479 1.406 1.00 0.00 C ATOM 332 C ALA A 26 6.847 -2.817 2.654 1.00 0.00 C ATOM 333 O ALA A 26 6.564 -3.983 2.927 1.00 0.00 O ATOM 334 CB ALA A 26 6.943 -1.414 0.586 1.00 0.00 C ATOM 0 HA ALA A 26 8.622 -2.090 1.724 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.776 -0.531 1.203 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.557 -1.145 -0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.985 -1.801 0.240 1.00 0.00 H new ATOM 340 N GLU A 27 6.479 -1.787 3.411 1.00 0.00 N ATOM 341 CA GLU A 27 5.704 -1.974 4.631 1.00 0.00 C ATOM 342 C GLU A 27 4.663 -0.871 4.788 1.00 0.00 C ATOM 343 O GLU A 27 4.628 0.079 4.007 1.00 0.00 O ATOM 344 CB GLU A 27 6.628 -1.998 5.849 1.00 0.00 C ATOM 345 CG GLU A 27 7.811 -2.940 5.698 1.00 0.00 C ATOM 346 CD GLU A 27 8.288 -3.495 7.026 1.00 0.00 C ATOM 347 OE1 GLU A 27 8.323 -2.729 8.012 1.00 0.00 O ATOM 348 OE2 GLU A 27 8.626 -4.696 7.081 1.00 0.00 O ATOM 0 H GLU A 27 6.706 -0.815 3.200 1.00 0.00 H new ATOM 0 HA GLU A 27 5.186 -2.930 4.560 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.999 -0.990 6.033 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.051 -2.291 6.726 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.532 -3.765 5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.632 -2.412 5.213 1.00 0.00 H new ATOM 355 N VAL A 28 3.817 -1.003 5.805 1.00 0.00 N ATOM 356 CA VAL A 28 2.777 -0.016 6.066 1.00 0.00 C ATOM 357 C VAL A 28 3.358 1.237 6.710 1.00 0.00 C ATOM 358 O VAL A 28 3.912 1.184 7.807 1.00 0.00 O ATOM 359 CB VAL A 28 1.677 -0.588 6.981 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.514 0.385 7.093 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.204 -1.939 6.468 1.00 0.00 C ATOM 0 H VAL A 28 3.832 -1.784 6.461 1.00 0.00 H new ATOM 0 HA VAL A 28 2.339 0.244 5.103 1.00 0.00 H new ATOM 0 HB VAL A 28 2.097 -0.730 7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.252 -0.037 7.743 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.867 1.327 7.512 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.092 0.563 6.104 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.427 -2.327 7.127 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.802 -1.825 5.461 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.043 -2.634 6.447 1.00 0.00 H new ATOM 371 N GLY A 29 3.228 2.365 6.019 1.00 0.00 N ATOM 372 CA GLY A 29 3.746 3.618 6.538 1.00 0.00 C ATOM 373 C GLY A 29 4.957 4.107 5.770 1.00 0.00 C ATOM 374 O GLY A 29 5.814 4.796 6.323 1.00 0.00 O ATOM 0 H GLY A 29 2.773 2.434 5.109 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.964 4.376 6.497 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.012 3.491 7.587 1.00 0.00 H new ATOM 378 N ASP A 30 5.029 3.749 4.492 1.00 0.00 N ATOM 379 CA ASP A 30 6.146 4.155 3.646 1.00 0.00 C ATOM 380 C ASP A 30 5.672 4.456 2.228 1.00 0.00 C ATOM 381 O ASP A 30 4.793 3.775 1.699 1.00 0.00 O ATOM 382 CB ASP A 30 7.215 3.063 3.618 1.00 0.00 C ATOM 383 CG ASP A 30 8.610 3.625 3.420 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.731 4.719 2.832 1.00 0.00 O ATOM 385 OD2 ASP A 30 9.581 2.969 3.852 1.00 0.00 O ATOM 0 H ASP A 30 4.328 3.179 4.020 1.00 0.00 H new ATOM 0 HA ASP A 30 6.577 5.064 4.067 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.182 2.501 4.552 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.992 2.360 2.815 1.00 0.00 H new ATOM 390 N GLN A 31 6.260 5.478 1.617 1.00 0.00 N ATOM 391 CA GLN A 31 5.898 5.868 0.258 1.00 0.00 C ATOM 392 C GLN A 31 6.182 4.737 -0.725 1.00 0.00 C ATOM 393 O GLN A 31 7.093 3.934 -0.517 1.00 0.00 O ATOM 394 CB GLN A 31 6.664 7.127 -0.155 1.00 0.00 C ATOM 395 CG GLN A 31 5.859 8.406 0.002 1.00 0.00 C ATOM 396 CD GLN A 31 6.214 9.167 1.265 1.00 0.00 C ATOM 397 OE1 GLN A 31 6.763 10.268 1.207 1.00 0.00 O ATOM 398 NE2 GLN A 31 5.901 8.582 2.415 1.00 0.00 N ATOM 0 H GLN A 31 6.989 6.052 2.040 1.00 0.00 H new ATOM 0 HA GLN A 31 4.829 6.081 0.239 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.572 7.203 0.444 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.975 7.028 -1.195 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.029 9.046 -0.864 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.797 8.163 0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.447 7.669 2.416 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.115 9.046 3.298 1.00 0.00 H new ATOM 407 N VAL A 32 5.399 4.680 -1.796 1.00 0.00 N ATOM 408 CA VAL A 32 5.567 3.648 -2.811 1.00 0.00 C ATOM 409 C VAL A 32 5.048 4.118 -4.166 1.00 0.00 C ATOM 410 O VAL A 32 4.411 5.166 -4.268 1.00 0.00 O ATOM 411 CB VAL A 32 4.838 2.349 -2.418 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.544 1.669 -1.256 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.384 2.637 -2.075 1.00 0.00 C ATOM 0 H VAL A 32 4.641 5.337 -1.984 1.00 0.00 H new ATOM 0 HA VAL A 32 6.636 3.449 -2.884 1.00 0.00 H new ATOM 0 HB VAL A 32 4.859 1.670 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.014 0.754 -0.994 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.567 1.426 -1.544 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.558 2.339 -0.396 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.884 1.708 -1.800 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.339 3.335 -1.239 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.886 3.074 -2.940 1.00 0.00 H new ATOM 423 N LEU A 33 5.325 3.336 -5.204 1.00 0.00 N ATOM 424 CA LEU A 33 4.886 3.671 -6.553 1.00 0.00 C ATOM 425 C LEU A 33 4.296 2.451 -7.253 1.00 0.00 C ATOM 426 O LEU A 33 5.023 1.544 -7.660 1.00 0.00 O ATOM 427 CB LEU A 33 6.056 4.226 -7.369 1.00 0.00 C ATOM 428 CG LEU A 33 5.674 4.827 -8.722 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.688 5.970 -8.539 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.915 5.306 -9.460 1.00 0.00 C ATOM 0 H LEU A 33 5.852 2.465 -5.136 1.00 0.00 H new ATOM 0 HA LEU A 33 4.110 4.433 -6.477 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.561 4.991 -6.778 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.776 3.425 -7.535 1.00 0.00 H new ATOM 0 HG LEU A 33 5.194 4.052 -9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.428 6.385 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.787 5.599 -8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.141 6.746 -7.923 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.625 5.731 -10.421 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.422 6.066 -8.865 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.589 4.465 -9.623 1.00 0.00 H new ATOM 442 N VAL A 34 2.974 2.433 -7.386 1.00 0.00 N ATOM 443 CA VAL A 34 2.286 1.323 -8.035 1.00 0.00 C ATOM 444 C VAL A 34 2.473 1.368 -9.547 1.00 0.00 C ATOM 445 O VAL A 34 2.168 2.371 -10.191 1.00 0.00 O ATOM 446 CB VAL A 34 0.779 1.332 -7.715 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.115 0.066 -8.235 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.552 1.486 -6.219 1.00 0.00 C ATOM 0 H VAL A 34 2.358 3.174 -7.053 1.00 0.00 H new ATOM 0 HA VAL A 34 2.728 0.406 -7.645 1.00 0.00 H new ATOM 0 HB VAL A 34 0.324 2.186 -8.218 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.949 0.090 -8.000 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.246 0.004 -9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.571 -0.804 -7.763 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.518 1.490 -6.012 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.020 0.654 -5.692 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.991 2.424 -5.879 1.00 0.00 H new ATOM 458 N ALA A 35 2.975 0.272 -10.108 1.00 0.00 N ATOM 459 CA ALA A 35 3.203 0.183 -11.546 1.00 0.00 C ATOM 460 C ALA A 35 4.131 1.294 -12.030 1.00 0.00 C ATOM 461 O ALA A 35 4.080 1.696 -13.192 1.00 0.00 O ATOM 462 CB ALA A 35 1.876 0.234 -12.292 1.00 0.00 C ATOM 0 H ALA A 35 3.232 -0.567 -9.588 1.00 0.00 H new ATOM 0 HA ALA A 35 3.689 -0.770 -11.753 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.059 0.167 -13.364 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.250 -0.601 -11.978 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.369 1.173 -12.068 1.00 0.00 H new ATOM 468 N GLY A 36 4.978 1.787 -11.130 1.00 0.00 N ATOM 469 CA GLY A 36 5.905 2.846 -11.486 1.00 0.00 C ATOM 470 C GLY A 36 5.207 4.066 -12.056 1.00 0.00 C ATOM 471 O GLY A 36 5.793 4.816 -12.838 1.00 0.00 O ATOM 0 H GLY A 36 5.038 1.472 -10.162 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.474 3.137 -10.603 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.620 2.467 -12.216 1.00 0.00 H new ATOM 475 N GLN A 37 3.952 4.265 -11.666 1.00 0.00 N ATOM 476 CA GLN A 37 3.174 5.401 -12.144 1.00 0.00 C ATOM 477 C GLN A 37 2.366 6.023 -11.011 1.00 0.00 C ATOM 478 O GLN A 37 2.637 7.146 -10.585 1.00 0.00 O ATOM 479 CB GLN A 37 2.240 4.966 -13.275 1.00 0.00 C ATOM 480 CG GLN A 37 2.967 4.384 -14.476 1.00 0.00 C ATOM 481 CD GLN A 37 2.041 3.622 -15.404 1.00 0.00 C ATOM 482 OE1 GLN A 37 0.924 3.266 -15.031 1.00 0.00 O ATOM 483 NE2 GLN A 37 2.503 3.368 -16.623 1.00 0.00 N ATOM 0 H GLN A 37 3.452 3.654 -11.020 1.00 0.00 H new ATOM 0 HA GLN A 37 3.868 6.151 -12.524 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.539 4.225 -12.891 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.651 5.824 -13.598 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.449 5.190 -15.030 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.758 3.718 -14.130 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.436 3.682 -16.890 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.925 2.859 -17.292 1.00 0.00 H new ATOM 492 N LYS A 38 1.371 5.288 -10.527 1.00 0.00 N ATOM 493 CA LYS A 38 0.522 5.768 -9.442 1.00 0.00 C ATOM 494 C LYS A 38 1.297 5.827 -8.130 1.00 0.00 C ATOM 495 O LYS A 38 1.662 4.796 -7.565 1.00 0.00 O ATOM 496 CB LYS A 38 -0.701 4.863 -9.285 1.00 0.00 C ATOM 497 CG LYS A 38 -1.412 4.566 -10.596 1.00 0.00 C ATOM 498 CD LYS A 38 -2.643 5.441 -10.775 1.00 0.00 C ATOM 499 CE LYS A 38 -2.385 6.567 -11.765 1.00 0.00 C ATOM 500 NZ LYS A 38 -2.346 6.073 -13.169 1.00 0.00 N ATOM 0 H LYS A 38 1.132 4.357 -10.869 1.00 0.00 H new ATOM 0 HA LYS A 38 0.190 6.776 -9.693 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.391 3.923 -8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.405 5.333 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.726 4.727 -11.428 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.704 3.516 -10.623 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.477 4.832 -11.124 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -2.936 5.861 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.165 7.322 -11.667 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.439 7.052 -11.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -1.804 6.739 -13.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.891 5.138 -13.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.316 5.997 -13.537 1.00 0.00 H new ATOM 514 N GLN A 39 1.546 7.041 -7.651 1.00 0.00 N ATOM 515 CA GLN A 39 2.277 7.235 -6.404 1.00 0.00 C ATOM 516 C GLN A 39 1.327 7.255 -5.212 1.00 0.00 C ATOM 517 O GLN A 39 0.276 7.894 -5.254 1.00 0.00 O ATOM 518 CB GLN A 39 3.076 8.540 -6.455 1.00 0.00 C ATOM 519 CG GLN A 39 4.404 8.469 -5.719 1.00 0.00 C ATOM 520 CD GLN A 39 4.911 9.835 -5.297 1.00 0.00 C ATOM 521 OE1 GLN A 39 5.195 10.068 -4.123 1.00 0.00 O ATOM 522 NE2 GLN A 39 5.025 10.746 -6.257 1.00 0.00 N ATOM 0 H GLN A 39 1.253 7.905 -8.107 1.00 0.00 H new ATOM 0 HA GLN A 39 2.965 6.398 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.261 8.803 -7.497 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.475 9.342 -6.026 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.293 7.838 -4.837 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.146 7.993 -6.360 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.778 10.508 -7.218 1.00 0.00 H new ATOM 0 HE22 GLN A 39 5.360 11.683 -6.034 1.00 0.00 H new ATOM 531 N GLY A 40 1.703 6.550 -4.150 1.00 0.00 N ATOM 532 CA GLY A 40 0.872 6.501 -2.961 1.00 0.00 C ATOM 533 C GLY A 40 1.613 5.953 -1.757 1.00 0.00 C ATOM 534 O GLY A 40 2.836 5.813 -1.784 1.00 0.00 O ATOM 0 H GLY A 40 2.568 6.012 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.508 7.503 -2.734 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.003 5.881 -3.158 1.00 0.00 H new ATOM 538 N ILE A 41 0.871 5.642 -0.699 1.00 0.00 N ATOM 539 CA ILE A 41 1.464 5.107 0.521 1.00 0.00 C ATOM 540 C ILE A 41 0.744 3.843 0.974 1.00 0.00 C ATOM 541 O ILE A 41 -0.476 3.733 0.848 1.00 0.00 O ATOM 542 CB ILE A 41 1.431 6.141 1.662 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.975 7.486 1.180 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.230 5.638 2.856 1.00 0.00 C ATOM 545 CD1 ILE A 41 1.619 8.643 2.088 1.00 0.00 C ATOM 0 H ILE A 41 -0.142 5.751 -0.662 1.00 0.00 H new ATOM 0 HA ILE A 41 2.502 4.867 0.289 1.00 0.00 H new ATOM 0 HB ILE A 41 0.396 6.281 1.974 1.00 0.00 H new ATOM 0 HG12 ILE A 41 3.060 7.421 1.096 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.590 7.687 0.180 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.197 6.380 3.654 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.801 4.702 3.213 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.265 5.472 2.557 1.00 0.00 H new ATOM 0 HD11 ILE A 41 2.038 9.565 1.684 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.535 8.735 2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 41 2.028 8.464 3.083 1.00 0.00 H new ATOM 557 N VAL A 42 1.505 2.891 1.504 1.00 0.00 N ATOM 558 CA VAL A 42 0.938 1.634 1.977 1.00 0.00 C ATOM 559 C VAL A 42 0.070 1.853 3.212 1.00 0.00 C ATOM 560 O VAL A 42 0.571 2.198 4.282 1.00 0.00 O ATOM 561 CB VAL A 42 2.039 0.612 2.314 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.433 -0.749 2.622 1.00 0.00 C ATOM 563 CG2 VAL A 42 3.041 0.511 1.174 1.00 0.00 C ATOM 0 H VAL A 42 2.516 2.966 1.617 1.00 0.00 H new ATOM 0 HA VAL A 42 0.323 1.241 1.168 1.00 0.00 H new ATOM 0 HB VAL A 42 2.567 0.957 3.203 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.228 -1.456 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.760 -0.663 3.475 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.876 -1.104 1.755 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.812 -0.216 1.430 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.529 0.192 0.266 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.502 1.485 1.007 1.00 0.00 H new ATOM 573 N ARG A 43 -1.234 1.653 3.054 1.00 0.00 N ATOM 574 CA ARG A 43 -2.173 1.829 4.157 1.00 0.00 C ATOM 575 C ARG A 43 -2.475 0.497 4.834 1.00 0.00 C ATOM 576 O ARG A 43 -2.554 0.416 6.059 1.00 0.00 O ATOM 577 CB ARG A 43 -3.471 2.463 3.653 1.00 0.00 C ATOM 578 CG ARG A 43 -3.347 3.948 3.351 1.00 0.00 C ATOM 579 CD ARG A 43 -2.924 4.737 4.581 1.00 0.00 C ATOM 580 NE ARG A 43 -3.892 5.777 4.925 1.00 0.00 N ATOM 581 CZ ARG A 43 -4.998 5.557 5.635 1.00 0.00 C ATOM 582 NH1 ARG A 43 -5.280 4.339 6.080 1.00 0.00 N ATOM 583 NH2 ARG A 43 -5.823 6.560 5.901 1.00 0.00 N ATOM 0 H ARG A 43 -1.665 1.369 2.174 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.713 2.492 4.890 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.793 1.943 2.751 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.251 2.317 4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.619 4.098 2.554 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.302 4.326 2.986 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.807 4.057 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.950 5.193 4.402 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.710 6.727 4.602 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -4.648 3.564 5.879 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -6.128 4.178 6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -5.611 7.498 5.562 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.670 6.393 6.444 1.00 0.00 H new ATOM 597 N PHE A 44 -2.642 -0.547 4.027 1.00 0.00 N ATOM 598 CA PHE A 44 -2.935 -1.876 4.549 1.00 0.00 C ATOM 599 C PHE A 44 -2.095 -2.935 3.843 1.00 0.00 C ATOM 600 O PHE A 44 -2.193 -3.113 2.629 1.00 0.00 O ATOM 601 CB PHE A 44 -4.422 -2.195 4.383 1.00 0.00 C ATOM 602 CG PHE A 44 -4.832 -3.494 5.017 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.510 -4.702 4.419 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.539 -3.505 6.208 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.886 -5.899 5.000 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.918 -4.699 6.793 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.591 -5.897 6.188 1.00 0.00 C ATOM 0 H PHE A 44 -2.579 -0.497 3.010 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.684 -1.886 5.610 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -5.009 -1.386 4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.662 -2.227 3.320 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.960 -4.708 3.490 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.797 -2.571 6.685 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.629 -6.835 4.526 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.469 -4.695 7.722 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.886 -6.831 6.643 1.00 0.00 H new ATOM 617 N TYR A 45 -1.269 -3.637 4.614 1.00 0.00 N ATOM 618 CA TYR A 45 -0.410 -4.680 4.063 1.00 0.00 C ATOM 619 C TYR A 45 -0.666 -6.015 4.754 1.00 0.00 C ATOM 620 O TYR A 45 -0.799 -6.078 5.976 1.00 0.00 O ATOM 621 CB TYR A 45 1.061 -4.288 4.211 1.00 0.00 C ATOM 622 CG TYR A 45 2.018 -5.293 3.608 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.913 -5.667 2.275 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.025 -5.867 4.374 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.785 -6.584 1.720 1.00 0.00 C ATOM 626 CE2 TYR A 45 3.901 -6.785 3.827 1.00 0.00 C ATOM 627 CZ TYR A 45 3.776 -7.141 2.500 1.00 0.00 C ATOM 628 OH TYR A 45 4.647 -8.054 1.952 1.00 0.00 O ATOM 0 H TYR A 45 -1.177 -3.503 5.621 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.644 -4.789 3.004 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.220 -3.319 3.738 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.292 -4.168 5.269 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.137 -5.234 1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.125 -5.591 5.413 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.691 -6.863 0.681 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.679 -7.222 4.435 1.00 0.00 H new ATOM 0 HH TYR A 45 5.285 -8.349 2.635 1.00 0.00 H new ATOM 638 N GLY A 46 -0.734 -7.081 3.963 1.00 0.00 N ATOM 639 CA GLY A 46 -0.972 -8.401 4.516 1.00 0.00 C ATOM 640 C GLY A 46 -1.538 -9.365 3.492 1.00 0.00 C ATOM 641 O GLY A 46 -1.338 -9.193 2.290 1.00 0.00 O ATOM 0 H GLY A 46 -0.628 -7.054 2.949 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.037 -8.801 4.909 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.663 -8.321 5.356 1.00 0.00 H new ATOM 645 N LYS A 47 -2.245 -10.385 3.969 1.00 0.00 N ATOM 646 CA LYS A 47 -2.842 -11.381 3.087 1.00 0.00 C ATOM 647 C LYS A 47 -4.183 -10.894 2.545 1.00 0.00 C ATOM 648 O LYS A 47 -4.889 -10.130 3.202 1.00 0.00 O ATOM 649 CB LYS A 47 -3.031 -12.704 3.831 1.00 0.00 C ATOM 650 CG LYS A 47 -1.731 -13.453 4.078 1.00 0.00 C ATOM 651 CD LYS A 47 -1.941 -14.960 4.046 1.00 0.00 C ATOM 652 CE LYS A 47 -1.337 -15.581 2.796 1.00 0.00 C ATOM 653 NZ LYS A 47 -0.993 -17.016 2.999 1.00 0.00 N ATOM 0 H LYS A 47 -2.418 -10.543 4.962 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.165 -11.538 2.247 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.515 -12.508 4.788 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.705 -13.341 3.258 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.998 -13.171 3.322 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.320 -13.162 5.045 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.491 -15.410 4.931 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.008 -15.181 4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.041 -15.490 1.969 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.440 -15.029 2.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.584 -17.402 2.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.302 -17.101 3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.853 -17.548 3.244 1.00 0.00 H new ATOM 667 N THR A 48 -4.527 -11.344 1.342 1.00 0.00 N ATOM 668 CA THR A 48 -5.783 -10.954 0.711 1.00 0.00 C ATOM 669 C THR A 48 -6.702 -12.159 0.543 1.00 0.00 C ATOM 670 O THR A 48 -6.336 -13.285 0.884 1.00 0.00 O ATOM 671 CB THR A 48 -5.516 -10.306 -0.647 1.00 0.00 C ATOM 672 OG1 THR A 48 -4.517 -11.019 -1.355 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.067 -8.865 -0.545 1.00 0.00 C ATOM 0 H THR A 48 -3.954 -11.978 0.785 1.00 0.00 H new ATOM 0 HA THR A 48 -6.278 -10.230 1.358 1.00 0.00 H new ATOM 0 HB THR A 48 -6.470 -10.335 -1.173 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.234 -10.498 -2.135 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.895 -8.466 -1.545 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.839 -8.278 -0.048 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.143 -8.812 0.031 1.00 0.00 H new ATOM 681 N ASP A 49 -7.897 -11.917 0.014 1.00 0.00 N ATOM 682 CA ASP A 49 -8.870 -12.982 -0.200 1.00 0.00 C ATOM 683 C ASP A 49 -9.141 -13.183 -1.687 1.00 0.00 C ATOM 684 O ASP A 49 -9.319 -14.310 -2.151 1.00 0.00 O ATOM 685 CB ASP A 49 -10.175 -12.663 0.532 1.00 0.00 C ATOM 686 CG ASP A 49 -10.773 -13.882 1.205 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.027 -14.602 1.901 1.00 0.00 O ATOM 688 OD2 ASP A 49 -11.989 -14.117 1.036 1.00 0.00 O ATOM 0 H ASP A 49 -8.215 -10.992 -0.275 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.454 -13.906 0.201 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -9.990 -11.893 1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.895 -12.253 -0.176 1.00 0.00 H new ATOM 693 N PHE A 50 -9.172 -12.082 -2.432 1.00 0.00 N ATOM 694 CA PHE A 50 -9.423 -12.137 -3.868 1.00 0.00 C ATOM 695 C PHE A 50 -8.312 -12.894 -4.587 1.00 0.00 C ATOM 696 O PHE A 50 -8.551 -13.555 -5.597 1.00 0.00 O ATOM 697 CB PHE A 50 -9.545 -10.723 -4.439 1.00 0.00 C ATOM 698 CG PHE A 50 -8.338 -9.866 -4.184 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.192 -10.017 -4.947 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.350 -8.912 -3.179 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.080 -9.230 -4.715 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.240 -8.123 -2.942 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.104 -8.282 -3.711 1.00 0.00 C ATOM 0 H PHE A 50 -9.026 -11.141 -2.065 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.361 -12.669 -4.027 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.714 -10.787 -5.514 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.421 -10.240 -4.007 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.167 -10.758 -5.732 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.236 -8.784 -2.575 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.193 -9.356 -5.318 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.261 -7.383 -2.156 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.236 -7.666 -3.528 1.00 0.00 H new ATOM 713 N ALA A 51 -7.095 -12.791 -4.061 1.00 0.00 N ATOM 714 CA ALA A 51 -5.947 -13.466 -4.653 1.00 0.00 C ATOM 715 C ALA A 51 -4.917 -13.837 -3.589 1.00 0.00 C ATOM 716 O ALA A 51 -4.814 -13.175 -2.557 1.00 0.00 O ATOM 717 CB ALA A 51 -5.313 -12.586 -5.720 1.00 0.00 C ATOM 0 H ALA A 51 -6.879 -12.246 -3.226 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.298 -14.388 -5.117 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.456 -13.101 -6.155 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.045 -12.376 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -4.983 -11.649 -5.270 1.00 0.00 H new ATOM 723 N PRO A 52 -4.137 -14.905 -3.829 1.00 0.00 N ATOM 724 CA PRO A 52 -3.112 -15.361 -2.886 1.00 0.00 C ATOM 725 C PRO A 52 -1.918 -14.414 -2.828 1.00 0.00 C ATOM 726 O PRO A 52 -1.785 -13.514 -3.655 1.00 0.00 O ATOM 727 CB PRO A 52 -2.690 -16.718 -3.451 1.00 0.00 C ATOM 728 CG PRO A 52 -2.978 -16.627 -4.909 1.00 0.00 C ATOM 729 CD PRO A 52 -4.195 -15.751 -5.036 1.00 0.00 C ATOM 0 HA PRO A 52 -3.489 -15.408 -1.864 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.633 -16.912 -3.268 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.248 -17.531 -2.987 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.132 -16.201 -5.448 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.162 -17.614 -5.333 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.166 -15.153 -5.947 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.112 -16.340 -5.070 1.00 0.00 H new ATOM 737 N GLY A 53 -1.050 -14.624 -1.842 1.00 0.00 N ATOM 738 CA GLY A 53 0.121 -13.781 -1.694 1.00 0.00 C ATOM 739 C GLY A 53 -0.138 -12.575 -0.812 1.00 0.00 C ATOM 740 O GLY A 53 -1.086 -12.565 -0.027 1.00 0.00 O ATOM 0 H GLY A 53 -1.138 -15.363 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.936 -14.368 -1.271 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.448 -13.444 -2.677 1.00 0.00 H new ATOM 744 N TYR A 54 0.708 -11.558 -0.941 1.00 0.00 N ATOM 745 CA TYR A 54 0.567 -10.342 -0.148 1.00 0.00 C ATOM 746 C TYR A 54 0.460 -9.116 -1.049 1.00 0.00 C ATOM 747 O TYR A 54 1.317 -8.882 -1.900 1.00 0.00 O ATOM 748 CB TYR A 54 1.754 -10.187 0.804 1.00 0.00 C ATOM 749 CG TYR A 54 1.781 -11.217 1.912 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.211 -12.515 1.668 1.00 0.00 C ATOM 751 CD2 TYR A 54 1.377 -10.890 3.199 1.00 0.00 C ATOM 752 CE1 TYR A 54 2.236 -13.459 2.677 1.00 0.00 C ATOM 753 CE2 TYR A 54 1.400 -11.828 4.214 1.00 0.00 C ATOM 754 CZ TYR A 54 1.831 -13.111 3.948 1.00 0.00 C ATOM 755 OH TYR A 54 1.856 -14.047 4.955 1.00 0.00 O ATOM 0 H TYR A 54 1.498 -11.552 -1.587 1.00 0.00 H new ATOM 0 HA TYR A 54 -0.349 -10.424 0.437 1.00 0.00 H new ATOM 0 HB2 TYR A 54 2.679 -10.257 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 54 1.727 -9.191 1.246 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.531 -12.791 0.674 1.00 0.00 H new ATOM 0 HD2 TYR A 54 1.039 -9.886 3.411 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.571 -14.465 2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.082 -11.558 5.210 1.00 0.00 H new ATOM 0 HH TYR A 54 1.540 -13.639 5.788 1.00 0.00 H new ATOM 765 N TRP A 55 -0.598 -8.334 -0.854 1.00 0.00 N ATOM 766 CA TRP A 55 -0.817 -7.131 -1.649 1.00 0.00 C ATOM 767 C TRP A 55 -0.671 -5.879 -0.790 1.00 0.00 C ATOM 768 O TRP A 55 -0.589 -5.961 0.437 1.00 0.00 O ATOM 769 CB TRP A 55 -2.204 -7.165 -2.291 1.00 0.00 C ATOM 770 CG TRP A 55 -2.418 -8.352 -3.180 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.530 -9.656 -2.792 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.545 -8.344 -4.606 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.718 -10.461 -3.890 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.732 -9.678 -5.015 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.519 -7.339 -5.577 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.892 -10.032 -6.354 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.678 -7.691 -6.905 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.863 -9.027 -7.282 1.00 0.00 C ATOM 0 H TRP A 55 -1.317 -8.512 -0.152 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.062 -7.101 -2.435 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.960 -7.167 -1.506 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.350 -6.254 -2.872 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.478 -10.004 -1.771 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.829 -11.475 -3.871 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.377 -6.306 -5.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -3.034 -11.062 -6.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.659 -6.923 -7.664 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.985 -9.269 -8.327 1.00 0.00 H new ATOM 789 N TYR A 56 -0.640 -4.721 -1.441 1.00 0.00 N ATOM 790 CA TYR A 56 -0.503 -3.451 -0.736 1.00 0.00 C ATOM 791 C TYR A 56 -1.714 -2.556 -0.983 1.00 0.00 C ATOM 792 O TYR A 56 -1.986 -2.161 -2.117 1.00 0.00 O ATOM 793 CB TYR A 56 0.772 -2.733 -1.179 1.00 0.00 C ATOM 794 CG TYR A 56 2.037 -3.505 -0.877 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.320 -4.696 -1.533 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.948 -3.041 0.064 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.474 -5.404 -1.259 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.105 -3.743 0.343 1.00 0.00 C ATOM 799 CZ TYR A 56 4.364 -4.924 -0.321 1.00 0.00 C ATOM 800 OH TYR A 56 5.515 -5.626 -0.046 1.00 0.00 O ATOM 0 H TYR A 56 -0.708 -4.635 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.442 -3.663 0.331 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.719 -2.544 -2.251 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.822 -1.762 -0.686 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.627 -5.075 -2.269 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.749 -2.117 0.586 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.678 -6.329 -1.777 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.803 -3.369 1.077 1.00 0.00 H new ATOM 0 HH TYR A 56 6.243 -4.999 0.146 1.00 0.00 H new ATOM 810 N GLY A 57 -2.438 -2.241 0.086 1.00 0.00 N ATOM 811 CA GLY A 57 -3.610 -1.395 -0.035 1.00 0.00 C ATOM 812 C GLY A 57 -3.258 0.079 -0.063 1.00 0.00 C ATOM 813 O GLY A 57 -3.673 0.841 0.810 1.00 0.00 O ATOM 0 H GLY A 57 -2.234 -2.557 1.034 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.149 -1.654 -0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.283 -1.589 0.800 1.00 0.00 H new ATOM 817 N ILE A 58 -2.488 0.481 -1.069 1.00 0.00 N ATOM 818 CA ILE A 58 -2.078 1.874 -1.208 1.00 0.00 C ATOM 819 C ILE A 58 -3.260 2.758 -1.589 1.00 0.00 C ATOM 820 O ILE A 58 -4.082 2.388 -2.427 1.00 0.00 O ATOM 821 CB ILE A 58 -0.969 2.031 -2.269 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.167 1.043 -2.004 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.443 3.459 -2.280 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.944 0.668 -3.248 1.00 0.00 C ATOM 0 H ILE A 58 -2.136 -0.137 -1.799 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.690 2.188 -0.239 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.394 1.813 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.851 1.476 -1.274 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.246 0.139 -1.557 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.339 3.553 -3.034 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.257 4.145 -2.514 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.033 3.703 -1.300 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.734 -0.036 -2.985 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.272 0.206 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.386 1.564 -3.685 1.00 0.00 H new ATOM 836 N GLU A 59 -3.339 3.930 -0.966 1.00 0.00 N ATOM 837 CA GLU A 59 -4.420 4.870 -1.240 1.00 0.00 C ATOM 838 C GLU A 59 -3.917 6.051 -2.064 1.00 0.00 C ATOM 839 O GLU A 59 -2.872 6.628 -1.767 1.00 0.00 O ATOM 840 CB GLU A 59 -5.031 5.372 0.071 1.00 0.00 C ATOM 841 CG GLU A 59 -6.183 6.344 -0.128 1.00 0.00 C ATOM 842 CD GLU A 59 -5.850 7.747 0.338 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.685 8.168 0.173 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.754 8.427 0.869 1.00 0.00 O ATOM 0 H GLU A 59 -2.668 4.251 -0.268 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.186 4.348 -1.814 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.383 4.517 0.649 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.254 5.858 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.453 6.370 -1.184 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -7.056 5.983 0.415 1.00 0.00 H new ATOM 851 N LEU A 60 -4.668 6.404 -3.102 1.00 0.00 N ATOM 852 CA LEU A 60 -4.298 7.516 -3.970 1.00 0.00 C ATOM 853 C LEU A 60 -5.092 8.770 -3.617 1.00 0.00 C ATOM 854 O LEU A 60 -6.021 8.722 -2.811 1.00 0.00 O ATOM 855 CB LEU A 60 -4.531 7.147 -5.436 1.00 0.00 C ATOM 856 CG LEU A 60 -3.876 5.841 -5.886 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.135 5.597 -7.365 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.382 5.869 -5.602 1.00 0.00 C ATOM 0 H LEU A 60 -5.536 5.936 -3.363 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.239 7.724 -3.819 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.605 7.077 -5.611 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.158 7.957 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.318 5.021 -5.320 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.662 4.663 -7.668 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.209 5.533 -7.541 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.720 6.420 -7.948 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.932 4.932 -5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.925 6.698 -6.141 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.217 5.997 -4.532 1.00 0.00 H new ATOM 870 N ASP A 61 -4.717 9.890 -4.226 1.00 0.00 N ATOM 871 CA ASP A 61 -5.394 11.159 -3.977 1.00 0.00 C ATOM 872 C ASP A 61 -6.435 11.442 -5.056 1.00 0.00 C ATOM 873 O ASP A 61 -7.453 12.084 -4.796 1.00 0.00 O ATOM 874 CB ASP A 61 -4.376 12.300 -3.919 1.00 0.00 C ATOM 875 CG ASP A 61 -4.641 13.253 -2.769 1.00 0.00 C ATOM 876 OD1 ASP A 61 -5.614 14.030 -2.853 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.875 13.219 -1.783 1.00 0.00 O ATOM 0 H ASP A 61 -3.949 9.946 -4.895 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.905 11.088 -3.017 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.373 11.884 -3.819 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.400 12.853 -4.858 1.00 0.00 H new ATOM 882 N GLN A 62 -6.172 10.961 -6.266 1.00 0.00 N ATOM 883 CA GLN A 62 -7.086 11.163 -7.384 1.00 0.00 C ATOM 884 C GLN A 62 -7.984 9.944 -7.583 1.00 0.00 C ATOM 885 O GLN A 62 -7.627 8.830 -7.199 1.00 0.00 O ATOM 886 CB GLN A 62 -6.301 11.447 -8.666 1.00 0.00 C ATOM 887 CG GLN A 62 -5.273 12.556 -8.517 1.00 0.00 C ATOM 888 CD GLN A 62 -5.750 13.875 -9.097 1.00 0.00 C ATOM 889 OE1 GLN A 62 -6.156 13.945 -10.256 1.00 0.00 O ATOM 890 NE2 GLN A 62 -5.702 14.927 -8.290 1.00 0.00 N ATOM 0 H GLN A 62 -5.333 10.429 -6.498 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.717 12.022 -7.154 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.795 10.535 -8.982 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.000 11.715 -9.458 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -5.040 12.691 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.349 12.259 -9.012 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.358 14.822 -7.336 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.009 15.840 -8.624 1.00 0.00 H new ATOM 899 N PRO A 63 -9.167 10.141 -8.190 1.00 0.00 N ATOM 900 CA PRO A 63 -10.118 9.055 -8.439 1.00 0.00 C ATOM 901 C PRO A 63 -9.686 8.163 -9.599 1.00 0.00 C ATOM 902 O PRO A 63 -10.393 8.042 -10.599 1.00 0.00 O ATOM 903 CB PRO A 63 -11.409 9.796 -8.781 1.00 0.00 C ATOM 904 CG PRO A 63 -10.957 11.084 -9.377 1.00 0.00 C ATOM 905 CD PRO A 63 -9.670 11.440 -8.679 1.00 0.00 C ATOM 0 HA PRO A 63 -10.209 8.383 -7.586 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.019 9.227 -9.483 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -12.018 9.963 -7.892 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.802 10.983 -10.451 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.706 11.863 -9.235 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.962 11.913 -9.360 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.839 12.138 -7.859 1.00 0.00 H new ATOM 913 N THR A 64 -8.521 7.540 -9.459 1.00 0.00 N ATOM 914 CA THR A 64 -7.994 6.660 -10.495 1.00 0.00 C ATOM 915 C THR A 64 -7.502 5.347 -9.896 1.00 0.00 C ATOM 916 O THR A 64 -6.538 4.755 -10.382 1.00 0.00 O ATOM 917 CB THR A 64 -6.856 7.349 -11.248 1.00 0.00 C ATOM 918 OG1 THR A 64 -5.702 7.448 -10.433 1.00 0.00 O ATOM 919 CG2 THR A 64 -7.208 8.745 -11.716 1.00 0.00 C ATOM 0 H THR A 64 -7.923 7.628 -8.637 1.00 0.00 H new ATOM 0 HA THR A 64 -8.801 6.439 -11.194 1.00 0.00 H new ATOM 0 HB THR A 64 -6.669 6.725 -12.122 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.042 8.026 -10.869 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.357 9.177 -12.243 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.065 8.698 -12.388 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.455 9.366 -10.855 1.00 0.00 H new ATOM 927 N GLY A 65 -8.170 4.897 -8.838 1.00 0.00 N ATOM 928 CA GLY A 65 -7.784 3.657 -8.191 1.00 0.00 C ATOM 929 C GLY A 65 -8.407 2.441 -8.849 1.00 0.00 C ATOM 930 O GLY A 65 -8.298 2.259 -10.062 1.00 0.00 O ATOM 0 H GLY A 65 -8.971 5.369 -8.418 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.698 3.562 -8.213 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -8.080 3.690 -7.142 1.00 0.00 H new ATOM 934 N LYS A 66 -9.062 1.607 -8.048 1.00 0.00 N ATOM 935 CA LYS A 66 -9.704 0.402 -8.559 1.00 0.00 C ATOM 936 C LYS A 66 -10.921 0.035 -7.715 1.00 0.00 C ATOM 937 O LYS A 66 -12.003 -0.219 -8.245 1.00 0.00 O ATOM 938 CB LYS A 66 -8.712 -0.763 -8.577 1.00 0.00 C ATOM 939 CG LYS A 66 -7.793 -0.761 -9.788 1.00 0.00 C ATOM 940 CD LYS A 66 -7.831 -2.092 -10.522 1.00 0.00 C ATOM 941 CE LYS A 66 -9.040 -2.187 -11.438 1.00 0.00 C ATOM 942 NZ LYS A 66 -9.067 -1.084 -12.438 1.00 0.00 N ATOM 0 H LYS A 66 -9.162 1.744 -7.042 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.036 0.602 -9.578 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.106 -0.727 -7.672 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.266 -1.701 -8.553 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.088 0.038 -10.468 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.772 -0.549 -9.470 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -6.919 -2.212 -11.107 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.856 -2.907 -9.799 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -9.029 -3.146 -11.956 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -9.951 -2.158 -10.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -9.347 -1.463 -13.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -9.751 -0.360 -12.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -8.121 -0.657 -12.510 1.00 0.00 H new ATOM 956 N HIS A 67 -10.735 0.009 -6.400 1.00 0.00 N ATOM 957 CA HIS A 67 -11.818 -0.328 -5.481 1.00 0.00 C ATOM 958 C HIS A 67 -12.100 0.828 -4.527 1.00 0.00 C ATOM 959 O HIS A 67 -11.342 1.795 -4.465 1.00 0.00 O ATOM 960 CB HIS A 67 -11.468 -1.587 -4.686 1.00 0.00 C ATOM 961 CG HIS A 67 -10.051 -1.618 -4.202 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.667 -1.261 -2.927 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.913 -1.974 -4.850 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.337 -1.408 -2.844 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.832 -1.839 -3.984 1.00 0.00 N ATOM 0 H HIS A 67 -9.846 0.217 -5.946 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.715 -0.517 -6.070 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.137 -1.663 -3.829 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.649 -2.462 -5.310 1.00 0.00 H new ATOM 0 HD1 HIS A 67 -10.284 -0.942 -2.180 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.855 -2.309 -5.875 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.754 -1.200 -1.959 1.00 0.00 H new ATOM 973 N ASP A 68 -13.197 0.721 -3.784 1.00 0.00 N ATOM 974 CA ASP A 68 -13.580 1.757 -2.833 1.00 0.00 C ATOM 975 C ASP A 68 -13.117 1.399 -1.423 1.00 0.00 C ATOM 976 O ASP A 68 -13.834 1.624 -0.447 1.00 0.00 O ATOM 977 CB ASP A 68 -15.097 1.957 -2.849 1.00 0.00 C ATOM 978 CG ASP A 68 -15.614 2.341 -4.222 1.00 0.00 C ATOM 979 OD1 ASP A 68 -15.257 1.656 -5.203 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.378 3.324 -4.315 1.00 0.00 O ATOM 0 H ASP A 68 -13.836 -0.073 -3.823 1.00 0.00 H new ATOM 0 HA ASP A 68 -13.095 2.687 -3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.585 1.039 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.366 2.733 -2.132 1.00 0.00 H new ATOM 985 N GLY A 69 -11.915 0.843 -1.325 1.00 0.00 N ATOM 986 CA GLY A 69 -11.376 0.465 -0.032 1.00 0.00 C ATOM 987 C GLY A 69 -11.538 -1.015 0.255 1.00 0.00 C ATOM 988 O GLY A 69 -10.666 -1.635 0.864 1.00 0.00 O ATOM 0 H GLY A 69 -11.304 0.647 -2.118 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.318 0.726 0.007 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.875 1.040 0.748 1.00 0.00 H new ATOM 992 N SER A 70 -12.656 -1.583 -0.185 1.00 0.00 N ATOM 993 CA SER A 70 -12.929 -3.000 0.028 1.00 0.00 C ATOM 994 C SER A 70 -12.982 -3.751 -1.299 1.00 0.00 C ATOM 995 O SER A 70 -13.111 -3.144 -2.362 1.00 0.00 O ATOM 996 CB SER A 70 -14.249 -3.179 0.781 1.00 0.00 C ATOM 997 OG SER A 70 -15.273 -2.381 0.213 1.00 0.00 O ATOM 0 H SER A 70 -13.388 -1.084 -0.691 1.00 0.00 H new ATOM 0 HA SER A 70 -12.117 -3.414 0.626 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.546 -4.228 0.757 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.113 -2.910 1.829 1.00 0.00 H new ATOM 0 HG SER A 70 -16.106 -2.515 0.711 1.00 0.00 H new ATOM 1003 N VAL A 71 -12.884 -5.075 -1.227 1.00 0.00 N ATOM 1004 CA VAL A 71 -12.921 -5.909 -2.421 1.00 0.00 C ATOM 1005 C VAL A 71 -13.776 -7.152 -2.197 1.00 0.00 C ATOM 1006 O VAL A 71 -13.453 -7.997 -1.362 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.506 -6.344 -2.848 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.546 -7.040 -4.199 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.568 -5.147 -2.884 1.00 0.00 C ATOM 0 H VAL A 71 -12.778 -5.592 -0.354 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.362 -5.305 -3.214 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.126 -7.052 -2.112 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.538 -7.340 -4.484 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.183 -7.923 -4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -11.947 -6.357 -4.948 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.573 -5.473 -3.188 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -10.942 -4.413 -3.597 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.515 -4.696 -1.893 1.00 0.00 H new ATOM 1019 N PHE A 72 -14.867 -7.257 -2.948 1.00 0.00 N ATOM 1020 CA PHE A 72 -15.768 -8.398 -2.831 1.00 0.00 C ATOM 1021 C PHE A 72 -16.350 -8.491 -1.423 1.00 0.00 C ATOM 1022 O PHE A 72 -16.643 -9.580 -0.934 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.033 -9.693 -3.178 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.714 -9.829 -4.639 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -15.715 -9.726 -5.592 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.414 -10.060 -5.060 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.425 -9.852 -6.938 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.118 -10.187 -6.404 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.125 -10.082 -7.344 1.00 0.00 C ATOM 0 H PHE A 72 -15.149 -6.566 -3.644 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.588 -8.254 -3.535 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.106 -9.740 -2.606 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -15.642 -10.542 -2.867 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.733 -9.545 -5.280 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.623 -10.142 -4.329 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.214 -9.771 -7.671 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.101 -10.368 -6.719 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.896 -10.180 -8.395 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.513 -7.339 -0.779 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.059 -7.314 0.565 1.00 0.00 C ATOM 1041 C GLY A 73 -15.985 -7.182 1.627 1.00 0.00 C ATOM 1042 O GLY A 73 -16.224 -6.615 2.693 1.00 0.00 O ATOM 0 H GLY A 73 -16.277 -6.424 -1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.758 -6.482 0.654 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.627 -8.228 0.740 1.00 0.00 H new ATOM 1046 N VAL A 74 -14.800 -7.706 1.335 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.685 -7.644 2.273 1.00 0.00 C ATOM 1048 C VAL A 74 -13.045 -6.260 2.273 1.00 0.00 C ATOM 1049 O VAL A 74 -12.473 -5.828 1.272 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.609 -8.694 1.939 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.558 -8.749 3.037 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.244 -10.060 1.727 1.00 0.00 C ATOM 0 H VAL A 74 -14.587 -8.178 0.457 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.092 -7.855 3.262 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.116 -8.401 1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.806 -9.496 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.082 -7.773 3.134 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.032 -9.017 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.469 -10.789 1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.765 -10.364 2.635 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -13.954 -10.007 0.902 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.145 -5.568 3.404 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.575 -4.232 3.535 1.00 0.00 C ATOM 1064 C ARG A 75 -11.185 -4.292 4.161 1.00 0.00 C ATOM 1065 O ARG A 75 -11.001 -4.870 5.233 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.490 -3.346 4.381 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.019 -1.904 4.479 1.00 0.00 C ATOM 1068 CD ARG A 75 -14.029 -1.035 5.211 1.00 0.00 C ATOM 1069 NE ARG A 75 -14.835 -0.237 4.290 1.00 0.00 N ATOM 1070 CZ ARG A 75 -15.545 0.828 4.657 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -15.553 1.223 5.925 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -16.250 1.497 3.756 1.00 0.00 N ATOM 0 H ARG A 75 -13.615 -5.910 4.242 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.486 -3.803 2.537 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.494 -3.364 3.956 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.561 -3.765 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.062 -1.868 4.999 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.853 -1.506 3.478 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.684 -1.667 5.811 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.505 -0.373 5.901 1.00 0.00 H new ATOM 0 HE ARG A 75 -14.855 -0.512 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.014 0.710 6.622 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.098 2.039 6.201 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -16.249 1.196 2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -16.794 2.313 4.037 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.211 -3.690 3.487 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.838 -3.676 3.977 1.00 0.00 C ATOM 1088 C TYR A 76 -8.516 -2.344 4.649 1.00 0.00 C ATOM 1089 O TYR A 76 -8.016 -2.310 5.773 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.861 -3.932 2.830 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.048 -5.277 2.163 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.182 -5.547 1.408 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.090 -6.276 2.289 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.356 -6.774 0.797 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -7.258 -7.505 1.681 1.00 0.00 C ATOM 1096 CZ TYR A 76 -8.392 -7.749 0.936 1.00 0.00 C ATOM 1097 OH TYR A 76 -8.563 -8.972 0.330 1.00 0.00 O ATOM 0 H TYR A 76 -10.347 -3.205 2.600 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.733 -4.471 4.716 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.977 -3.146 2.083 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.842 -3.863 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.940 -4.786 1.297 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.200 -6.088 2.871 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.244 -6.968 0.213 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -6.504 -8.271 1.789 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.490 -8.869 -0.642 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.806 -1.250 3.953 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.547 0.084 4.481 1.00 0.00 C ATOM 1109 C PHE A 77 -9.633 1.063 4.046 1.00 0.00 C ATOM 1110 O PHE A 77 -10.503 0.723 3.242 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.178 0.584 4.018 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.998 0.547 2.526 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.809 -0.657 1.869 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.019 1.717 1.784 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.642 -0.694 0.497 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.854 1.687 0.413 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.665 0.480 -0.232 1.00 0.00 C ATOM 0 H PHE A 77 -9.221 -1.261 3.021 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.553 0.022 5.569 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.037 1.607 4.368 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.402 -0.023 4.485 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.792 -1.577 2.434 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.166 2.663 2.283 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.494 -1.639 -0.004 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.873 2.606 -0.154 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.535 0.454 -1.304 1.00 0.00 H new ATOM 1127 N THR A 78 -9.577 2.279 4.580 1.00 0.00 N ATOM 1128 CA THR A 78 -10.555 3.307 4.245 1.00 0.00 C ATOM 1129 C THR A 78 -9.960 4.332 3.286 1.00 0.00 C ATOM 1130 O THR A 78 -8.950 4.968 3.590 1.00 0.00 O ATOM 1131 CB THR A 78 -11.048 4.004 5.514 1.00 0.00 C ATOM 1132 OG1 THR A 78 -9.958 4.507 6.265 1.00 0.00 O ATOM 1133 CG2 THR A 78 -11.853 3.100 6.421 1.00 0.00 C ATOM 0 H THR A 78 -8.864 2.576 5.247 1.00 0.00 H new ATOM 0 HA THR A 78 -11.399 2.824 3.753 1.00 0.00 H new ATOM 0 HB THR A 78 -11.695 4.810 5.167 1.00 0.00 H new ATOM 0 HG1 THR A 78 -9.241 4.782 5.657 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.171 3.658 7.302 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.730 2.735 5.886 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.239 2.254 6.730 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.592 4.489 2.128 1.00 0.00 N ATOM 1142 CA CYS A 79 -10.123 5.438 1.125 1.00 0.00 C ATOM 1143 C CYS A 79 -11.297 6.067 0.382 1.00 0.00 C ATOM 1144 O CYS A 79 -12.446 5.662 0.558 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.189 4.745 0.132 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.957 3.384 -0.778 1.00 0.00 S ATOM 0 H CYS A 79 -11.430 3.972 1.861 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.574 6.228 1.638 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.822 5.483 -0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.322 4.364 0.671 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.670 3.862 -1.754 1.00 0.00 H new ATOM 1152 N ALA A 80 -11.000 7.061 -0.450 1.00 0.00 N ATOM 1153 CA ALA A 80 -12.030 7.746 -1.220 1.00 0.00 C ATOM 1154 C ALA A 80 -12.449 6.921 -2.434 1.00 0.00 C ATOM 1155 O ALA A 80 -11.778 5.958 -2.802 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.538 9.118 -1.655 1.00 0.00 C ATOM 0 H ALA A 80 -10.054 7.409 -0.607 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.904 7.872 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.317 9.619 -2.229 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.296 9.714 -0.775 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.647 9.006 -2.273 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.571 7.292 -3.076 1.00 0.00 N ATOM 1163 CA PRO A 81 -14.078 6.582 -4.255 1.00 0.00 C ATOM 1164 C PRO A 81 -13.024 6.449 -5.349 1.00 0.00 C ATOM 1165 O PRO A 81 -12.564 7.446 -5.904 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.236 7.461 -4.733 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.673 8.207 -3.520 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.431 8.430 -2.704 1.00 0.00 C ATOM 0 HA PRO A 81 -14.373 5.560 -4.017 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.916 8.142 -5.522 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -16.048 6.859 -5.141 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -16.138 9.155 -3.791 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.413 7.638 -2.957 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.960 9.384 -2.941 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.648 8.438 -1.636 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.646 5.212 -5.653 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.647 4.947 -6.682 1.00 0.00 C ATOM 1178 C ARG A 82 -10.305 5.572 -6.311 1.00 0.00 C ATOM 1179 O ARG A 82 -9.720 6.325 -7.091 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.122 5.486 -8.033 1.00 0.00 C ATOM 1181 CG ARG A 82 -12.913 4.473 -8.847 1.00 0.00 C ATOM 1182 CD ARG A 82 -12.008 3.662 -9.762 1.00 0.00 C ATOM 1183 NE ARG A 82 -12.357 3.835 -11.171 1.00 0.00 N ATOM 1184 CZ ARG A 82 -11.982 2.999 -12.136 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -11.247 1.932 -11.849 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -12.342 3.231 -13.390 1.00 0.00 N ATOM 0 H ARG A 82 -13.017 4.376 -5.201 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.514 3.868 -6.757 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.740 6.368 -7.866 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.256 5.808 -8.611 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.447 3.802 -8.174 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.664 4.991 -9.443 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.972 3.962 -9.606 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -12.078 2.607 -9.498 1.00 0.00 H new ATOM 0 HE ARG A 82 -12.921 4.644 -11.430 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -10.967 1.750 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.962 1.294 -12.592 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.906 4.050 -13.615 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.055 2.590 -14.130 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.821 5.255 -5.114 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.547 5.784 -4.640 1.00 0.00 C ATOM 1202 C HIS A 83 -7.594 4.654 -4.265 1.00 0.00 C ATOM 1203 O HIS A 83 -6.414 4.684 -4.612 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.768 6.701 -3.435 1.00 0.00 C ATOM 1205 CG HIS A 83 -9.139 8.103 -3.810 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.717 9.218 -3.121 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.910 8.561 -4.828 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -9.234 10.295 -3.728 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.966 9.950 -4.770 1.00 0.00 N ATOM 0 H HIS A 83 -10.292 4.635 -4.455 1.00 0.00 H new ATOM 0 HA HIS A 83 -8.098 6.360 -5.449 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.555 6.281 -2.808 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.859 6.723 -2.834 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -8.118 9.223 -2.296 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.402 7.945 -5.566 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -9.072 11.313 -3.406 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.116 3.658 -3.555 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.298 2.532 -3.146 1.00 0.00 C ATOM 1219 C GLY A 84 -6.923 1.634 -4.308 1.00 0.00 C ATOM 1220 O GLY A 84 -7.670 1.522 -5.281 1.00 0.00 O ATOM 0 H GLY A 84 -9.090 3.611 -3.256 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.390 2.901 -2.669 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.836 1.948 -2.399 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.762 0.995 -4.209 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.289 0.103 -5.261 1.00 0.00 C ATOM 1226 C VAL A 85 -4.442 -1.027 -4.685 1.00 0.00 C ATOM 1227 O VAL A 85 -3.634 -0.812 -3.782 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.460 0.864 -6.313 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.360 1.739 -7.173 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.379 1.696 -5.642 1.00 0.00 C ATOM 0 H VAL A 85 -5.132 1.078 -3.411 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.174 -0.317 -5.740 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.974 0.135 -6.962 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.756 2.268 -7.910 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -6.093 1.115 -7.685 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.877 2.461 -6.541 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.804 2.226 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.841 2.417 -4.967 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.716 1.042 -5.075 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.636 -2.232 -5.213 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.890 -3.397 -4.752 1.00 0.00 C ATOM 1242 C PHE A 86 -3.007 -3.951 -5.865 1.00 0.00 C ATOM 1243 O PHE A 86 -3.501 -4.529 -6.833 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.852 -4.481 -4.261 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.149 -4.400 -2.791 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.121 -4.378 -1.863 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.458 -4.345 -2.338 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.393 -4.302 -0.509 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.736 -4.270 -0.987 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.702 -4.249 -0.072 1.00 0.00 C ATOM 0 H PHE A 86 -5.303 -2.426 -5.960 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.251 -3.086 -3.926 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.787 -4.405 -4.817 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.428 -5.460 -4.484 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.096 -4.421 -2.200 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.270 -4.361 -3.050 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.583 -4.284 0.205 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.760 -4.228 -0.647 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.917 -4.191 0.985 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.697 -3.772 -5.721 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.747 -4.254 -6.716 1.00 0.00 C ATOM 1262 C ALA A 87 0.386 -5.039 -6.060 1.00 0.00 C ATOM 1263 O ALA A 87 0.842 -4.690 -4.971 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.187 -3.089 -7.518 1.00 0.00 C ATOM 0 H ALA A 87 -1.270 -3.297 -4.925 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.276 -4.926 -7.391 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.521 -3.463 -8.257 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.001 -2.571 -8.025 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.321 -2.396 -6.847 1.00 0.00 H new ATOM 1270 N PRO A 88 0.860 -6.115 -6.714 1.00 0.00 N ATOM 1271 CA PRO A 88 1.947 -6.945 -6.183 1.00 0.00 C ATOM 1272 C PRO A 88 3.202 -6.132 -5.889 1.00 0.00 C ATOM 1273 O PRO A 88 3.529 -5.195 -6.615 1.00 0.00 O ATOM 1274 CB PRO A 88 2.217 -7.952 -7.306 1.00 0.00 C ATOM 1275 CG PRO A 88 0.959 -7.988 -8.102 1.00 0.00 C ATOM 1276 CD PRO A 88 0.377 -6.606 -8.018 1.00 0.00 C ATOM 0 HA PRO A 88 1.675 -7.410 -5.235 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.063 -7.642 -7.919 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.458 -8.936 -6.904 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.160 -8.265 -9.137 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.266 -8.728 -7.703 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.719 -5.975 -8.838 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.712 -6.624 -8.063 1.00 0.00 H new ATOM 1284 N ALA A 89 3.903 -6.498 -4.816 1.00 0.00 N ATOM 1285 CA ALA A 89 5.126 -5.804 -4.428 1.00 0.00 C ATOM 1286 C ALA A 89 6.039 -5.629 -5.633 1.00 0.00 C ATOM 1287 O ALA A 89 6.495 -4.526 -5.930 1.00 0.00 O ATOM 1288 CB ALA A 89 5.842 -6.566 -3.322 1.00 0.00 C ATOM 0 H ALA A 89 3.644 -7.270 -4.202 1.00 0.00 H new ATOM 0 HA ALA A 89 4.860 -4.817 -4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.752 -6.035 -3.044 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.189 -6.645 -2.453 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.098 -7.565 -3.675 1.00 0.00 H new ATOM 1294 N SER A 90 6.280 -6.732 -6.338 1.00 0.00 N ATOM 1295 CA SER A 90 7.114 -6.705 -7.530 1.00 0.00 C ATOM 1296 C SER A 90 6.564 -5.686 -8.519 1.00 0.00 C ATOM 1297 O SER A 90 7.298 -5.146 -9.348 1.00 0.00 O ATOM 1298 CB SER A 90 7.170 -8.090 -8.176 1.00 0.00 C ATOM 1299 OG SER A 90 8.290 -8.825 -7.711 1.00 0.00 O ATOM 0 H SER A 90 5.909 -7.652 -6.102 1.00 0.00 H new ATOM 0 HA SER A 90 8.126 -6.417 -7.245 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.254 -8.637 -7.952 1.00 0.00 H new ATOM 0 HB3 SER A 90 7.223 -7.987 -9.260 1.00 0.00 H new ATOM 0 HG SER A 90 8.302 -9.707 -8.137 1.00 0.00 H new ATOM 1305 N ARG A 91 5.263 -5.414 -8.410 1.00 0.00 N ATOM 1306 CA ARG A 91 4.612 -4.445 -9.277 1.00 0.00 C ATOM 1307 C ARG A 91 4.715 -3.043 -8.680 1.00 0.00 C ATOM 1308 O ARG A 91 4.504 -2.047 -9.373 1.00 0.00 O ATOM 1309 CB ARG A 91 3.143 -4.822 -9.488 1.00 0.00 C ATOM 1310 CG ARG A 91 2.827 -5.269 -10.907 1.00 0.00 C ATOM 1311 CD ARG A 91 1.627 -4.526 -11.476 1.00 0.00 C ATOM 1312 NE ARG A 91 0.684 -5.430 -12.132 1.00 0.00 N ATOM 1313 CZ ARG A 91 0.856 -5.920 -13.356 1.00 0.00 C ATOM 1314 NH1 ARG A 91 1.932 -5.596 -14.063 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -0.050 -6.735 -13.878 1.00 0.00 N ATOM 0 H ARG A 91 4.644 -5.853 -7.729 1.00 0.00 H new ATOM 0 HA ARG A 91 5.117 -4.451 -10.243 1.00 0.00 H new ATOM 0 HB2 ARG A 91 2.879 -5.622 -8.797 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.517 -3.965 -9.238 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.695 -5.100 -11.544 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.629 -6.341 -10.916 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.118 -3.991 -10.674 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.969 -3.778 -12.191 1.00 0.00 H new ATOM 0 HE ARG A 91 -0.156 -5.701 -11.620 1.00 0.00 H new ATOM 0 HH11 ARG A 91 2.632 -4.968 -13.668 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.059 -5.975 -15.001 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -0.880 -6.986 -13.341 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.083 -7.111 -14.817 1.00 0.00 H new ATOM 1329 N ILE A 92 5.043 -2.972 -7.389 1.00 0.00 N ATOM 1330 CA ILE A 92 5.175 -1.692 -6.706 1.00 0.00 C ATOM 1331 C ILE A 92 6.642 -1.332 -6.495 1.00 0.00 C ATOM 1332 O ILE A 92 7.503 -2.209 -6.422 1.00 0.00 O ATOM 1333 CB ILE A 92 4.458 -1.704 -5.341 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.018 -2.193 -5.502 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.486 -0.318 -4.714 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.345 -2.528 -4.188 1.00 0.00 C ATOM 0 H ILE A 92 5.221 -3.785 -6.800 1.00 0.00 H new ATOM 0 HA ILE A 92 4.707 -0.943 -7.345 1.00 0.00 H new ATOM 0 HB ILE A 92 4.983 -2.391 -4.678 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.437 -1.426 -6.014 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.012 -3.077 -6.140 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.976 -0.344 -3.751 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.520 -0.005 -4.568 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.982 0.390 -5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.327 -2.868 -4.377 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.903 -3.317 -3.684 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.320 -1.641 -3.556 1.00 0.00 H new ATOM 1348 N GLN A 93 6.921 -0.035 -6.399 1.00 0.00 N ATOM 1349 CA GLN A 93 8.284 0.442 -6.197 1.00 0.00 C ATOM 1350 C GLN A 93 8.394 1.246 -4.905 1.00 0.00 C ATOM 1351 O GLN A 93 7.483 1.991 -4.547 1.00 0.00 O ATOM 1352 CB GLN A 93 8.729 1.298 -7.384 1.00 0.00 C ATOM 1353 CG GLN A 93 9.426 0.506 -8.479 1.00 0.00 C ATOM 1354 CD GLN A 93 8.588 0.389 -9.738 1.00 0.00 C ATOM 1355 OE1 GLN A 93 7.685 -0.443 -9.822 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.887 1.225 -10.727 1.00 0.00 N ATOM 0 H GLN A 93 6.220 0.704 -6.458 1.00 0.00 H new ATOM 0 HA GLN A 93 8.938 -0.427 -6.120 1.00 0.00 H new ATOM 0 HB2 GLN A 93 7.858 1.798 -7.807 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.402 2.078 -7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.374 0.985 -8.722 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.659 -0.492 -8.108 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.644 1.899 -10.614 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.359 1.193 -11.599 1.00 0.00 H new ATOM 1365 N ARG A 94 9.516 1.090 -4.210 1.00 0.00 N ATOM 1366 CA ARG A 94 9.744 1.802 -2.958 1.00 0.00 C ATOM 1367 C ARG A 94 10.424 3.144 -3.212 1.00 0.00 C ATOM 1368 O ARG A 94 11.554 3.197 -3.697 1.00 0.00 O ATOM 1369 CB ARG A 94 10.600 0.954 -2.014 1.00 0.00 C ATOM 1370 CG ARG A 94 10.163 1.035 -0.559 1.00 0.00 C ATOM 1371 CD ARG A 94 10.946 0.067 0.312 1.00 0.00 C ATOM 1372 NE ARG A 94 10.248 -0.233 1.561 1.00 0.00 N ATOM 1373 CZ ARG A 94 10.735 -1.030 2.509 1.00 0.00 C ATOM 1374 NH1 ARG A 94 11.920 -1.608 2.356 1.00 0.00 N ATOM 1375 NH2 ARG A 94 10.035 -1.249 3.614 1.00 0.00 N ATOM 0 H ARG A 94 10.281 0.477 -4.492 1.00 0.00 H new ATOM 0 HA ARG A 94 8.776 1.988 -2.492 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.563 -0.086 -2.339 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.639 1.275 -2.091 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.303 2.052 -0.192 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.098 0.813 -0.485 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.118 -0.858 -0.238 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.925 0.491 0.536 1.00 0.00 H new ATOM 0 HE ARG A 94 9.334 0.193 1.715 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.463 -1.442 1.508 1.00 0.00 H new ATOM 0 HH12 ARG A 94 12.288 -2.218 3.086 1.00 0.00 H new ATOM 0 HH21 ARG A 94 9.124 -0.807 3.737 1.00 0.00 H new ATOM 0 HH22 ARG A 94 10.408 -1.860 4.341 1.00 0.00 H new ATOM 1389 N ILE A 95 9.727 4.226 -2.879 1.00 0.00 N ATOM 1390 CA ILE A 95 10.264 5.568 -3.071 1.00 0.00 C ATOM 1391 C ILE A 95 11.315 5.896 -2.016 1.00 0.00 C ATOM 1392 O ILE A 95 12.441 6.271 -2.342 1.00 0.00 O ATOM 1393 CB ILE A 95 9.151 6.632 -3.018 1.00 0.00 C ATOM 1394 CG1 ILE A 95 7.989 6.233 -3.928 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.700 7.994 -3.416 1.00 0.00 C ATOM 1396 CD1 ILE A 95 6.789 7.149 -3.813 1.00 0.00 C ATOM 0 H ILE A 95 8.791 4.200 -2.476 1.00 0.00 H new ATOM 0 HA ILE A 95 10.726 5.585 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 95 8.780 6.697 -1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.333 6.227 -4.962 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.683 5.215 -3.688 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.901 8.735 -3.374 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.497 8.280 -2.730 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.095 7.945 -4.431 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.004 6.806 -4.486 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.419 7.137 -2.788 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.079 8.165 -4.082 1.00 0.00 H new