USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=12 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= 0.436 USER MOD Set 1.2: A 56 TYR OH : rot -81:sc= 1.24 USER MOD Single : A 31 GLN : amide:sc= -0.35 X(o=-0.35,f=0.002) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -1.6! X(o=-1.6!,f=-1.2) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -23:sc= 0.21 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.614 X(o=-0.61,f=-1) USER MOD Single : A 64 THR OG1 : rot -55:sc= 1.13 USER MOD Single : A 66 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0494) USER MOD Single : A 67 HIS : no HD1:sc= -1.36 K(o=-1.4,f=-2.1) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 30:sc= 0.233 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0264 USER MOD Single : A 79 CYS SG : rot -132:sc= -1.69 USER MOD Single : A 83 HIS : no HE2:sc= -4.15! C(o=-4.1!,f=-3.3!) 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) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 8.176 -2.394 0.411 1.00 0.00 N ATOM 331 CA ALA A 26 7.689 -1.295 1.237 1.00 0.00 C ATOM 332 C ALA A 26 6.949 -1.816 2.464 1.00 0.00 C ATOM 333 O ALA A 26 6.665 -3.009 2.570 1.00 0.00 O ATOM 334 CB ALA A 26 6.784 -0.384 0.420 1.00 0.00 C ATOM 0 HA ALA A 26 8.550 -0.722 1.581 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.427 0.432 1.048 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.343 0.024 -0.422 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.933 -0.955 0.048 1.00 0.00 H new ATOM 340 N GLU A 27 6.640 -0.914 3.390 1.00 0.00 N ATOM 341 CA GLU A 27 5.932 -1.282 4.611 1.00 0.00 C ATOM 342 C GLU A 27 4.660 -0.456 4.774 1.00 0.00 C ATOM 343 O GLU A 27 4.351 0.397 3.941 1.00 0.00 O ATOM 344 CB GLU A 27 6.840 -1.089 5.828 1.00 0.00 C ATOM 345 CG GLU A 27 7.554 -2.360 6.261 1.00 0.00 C ATOM 346 CD GLU A 27 7.953 -2.335 7.723 1.00 0.00 C ATOM 347 OE1 GLU A 27 7.210 -1.737 8.531 1.00 0.00 O ATOM 348 OE2 GLU A 27 9.007 -2.912 8.061 1.00 0.00 O ATOM 0 H GLU A 27 6.869 0.077 3.318 1.00 0.00 H new ATOM 0 HA GLU A 27 5.652 -2.333 4.537 1.00 0.00 H new ATOM 0 HB2 GLU A 27 7.583 -0.325 5.599 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.244 -0.715 6.660 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.905 -3.217 6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.444 -2.499 5.648 1.00 0.00 H new ATOM 355 N VAL A 28 3.926 -0.714 5.851 1.00 0.00 N ATOM 356 CA VAL A 28 2.688 0.006 6.124 1.00 0.00 C ATOM 357 C VAL A 28 2.971 1.415 6.630 1.00 0.00 C ATOM 358 O VAL A 28 3.369 1.604 7.781 1.00 0.00 O ATOM 359 CB VAL A 28 1.823 -0.736 7.160 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.455 -0.081 7.282 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.688 -2.206 6.791 1.00 0.00 C ATOM 0 H VAL A 28 4.167 -1.417 6.550 1.00 0.00 H new ATOM 0 HA VAL A 28 2.143 0.065 5.182 1.00 0.00 H new ATOM 0 HB VAL A 28 2.318 -0.673 8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.142 -0.619 8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.575 0.955 7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.049 -0.109 6.316 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.073 -2.713 7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.218 -2.294 5.811 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.676 -2.666 6.762 1.00 0.00 H new ATOM 371 N GLY A 29 2.766 2.403 5.764 1.00 0.00 N ATOM 372 CA GLY A 29 3.006 3.783 6.143 1.00 0.00 C ATOM 373 C GLY A 29 4.240 4.361 5.480 1.00 0.00 C ATOM 374 O GLY A 29 4.948 5.174 6.075 1.00 0.00 O ATOM 0 H GLY A 29 2.438 2.272 4.807 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.138 4.386 5.876 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.116 3.845 7.226 1.00 0.00 H new ATOM 378 N ASP A 30 4.499 3.940 4.247 1.00 0.00 N ATOM 379 CA ASP A 30 5.657 4.422 3.503 1.00 0.00 C ATOM 380 C ASP A 30 5.290 4.705 2.049 1.00 0.00 C ATOM 381 O ASP A 30 4.461 4.010 1.461 1.00 0.00 O ATOM 382 CB ASP A 30 6.793 3.397 3.567 1.00 0.00 C ATOM 383 CG ASP A 30 8.120 4.027 3.941 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.377 5.170 3.508 1.00 0.00 O ATOM 385 OD2 ASP A 30 8.900 3.378 4.669 1.00 0.00 O ATOM 0 H ASP A 30 3.923 3.266 3.742 1.00 0.00 H new ATOM 0 HA ASP A 30 5.992 5.353 3.961 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.542 2.626 4.295 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.888 2.903 2.600 1.00 0.00 H new ATOM 390 N GLN A 31 5.911 5.729 1.476 1.00 0.00 N ATOM 391 CA GLN A 31 5.650 6.105 0.092 1.00 0.00 C ATOM 392 C GLN A 31 5.983 4.957 -0.857 1.00 0.00 C ATOM 393 O GLN A 31 6.930 4.205 -0.626 1.00 0.00 O ATOM 394 CB GLN A 31 6.463 7.344 -0.284 1.00 0.00 C ATOM 395 CG GLN A 31 5.883 8.640 0.259 1.00 0.00 C ATOM 396 CD GLN A 31 6.611 9.131 1.495 1.00 0.00 C ATOM 397 OE1 GLN A 31 7.469 10.010 1.415 1.00 0.00 O ATOM 398 NE2 GLN A 31 6.272 8.563 2.646 1.00 0.00 N ATOM 0 H GLN A 31 6.600 6.314 1.949 1.00 0.00 H new ATOM 0 HA GLN A 31 4.588 6.333 -0.001 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.481 7.227 0.088 1.00 0.00 H new ATOM 0 HB3 GLN A 31 6.526 7.411 -1.370 1.00 0.00 H new ATOM 0 HG2 GLN A 31 5.929 9.407 -0.514 1.00 0.00 H new ATOM 0 HG3 GLN A 31 4.830 8.491 0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.555 7.838 2.665 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.729 8.852 3.511 1.00 0.00 H new ATOM 407 N VAL A 32 5.201 4.829 -1.922 1.00 0.00 N ATOM 408 CA VAL A 32 5.414 3.774 -2.905 1.00 0.00 C ATOM 409 C VAL A 32 4.962 4.214 -4.293 1.00 0.00 C ATOM 410 O VAL A 32 4.397 5.295 -4.459 1.00 0.00 O ATOM 411 CB VAL A 32 4.661 2.487 -2.518 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.328 1.815 -1.327 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.201 2.790 -2.219 1.00 0.00 C ATOM 0 H VAL A 32 4.413 5.443 -2.127 1.00 0.00 H new ATOM 0 HA VAL A 32 6.485 3.571 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 32 4.699 1.799 -3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.782 0.908 -1.068 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.356 1.559 -1.582 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.324 2.496 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.686 1.868 -1.948 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.138 3.498 -1.392 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.731 3.222 -3.102 1.00 0.00 H new ATOM 423 N LEU A 33 5.216 3.370 -5.288 1.00 0.00 N ATOM 424 CA LEU A 33 4.836 3.672 -6.663 1.00 0.00 C ATOM 425 C LEU A 33 4.274 2.435 -7.356 1.00 0.00 C ATOM 426 O LEU A 33 5.014 1.510 -7.693 1.00 0.00 O ATOM 427 CB LEU A 33 6.040 4.205 -7.442 1.00 0.00 C ATOM 428 CG LEU A 33 5.718 4.783 -8.820 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.765 5.962 -8.695 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.994 5.201 -9.535 1.00 0.00 C ATOM 0 H LEU A 33 5.683 2.471 -5.167 1.00 0.00 H new ATOM 0 HA LEU A 33 4.060 4.437 -6.639 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.525 4.978 -6.846 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.761 3.396 -7.564 1.00 0.00 H new ATOM 0 HG LEU A 33 5.230 4.009 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.547 6.360 -9.686 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.839 5.633 -8.225 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.225 6.739 -8.085 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.745 5.610 -10.514 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.510 5.959 -8.946 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.643 4.334 -9.658 1.00 0.00 H new ATOM 442 N VAL A 34 2.962 2.424 -7.565 1.00 0.00 N ATOM 443 CA VAL A 34 2.301 1.301 -8.217 1.00 0.00 C ATOM 444 C VAL A 34 2.517 1.334 -9.727 1.00 0.00 C ATOM 445 O VAL A 34 2.226 2.333 -10.383 1.00 0.00 O ATOM 446 CB VAL A 34 0.788 1.293 -7.928 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.151 0.013 -8.446 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.529 1.461 -6.438 1.00 0.00 C ATOM 0 H VAL A 34 2.335 3.181 -7.292 1.00 0.00 H new ATOM 0 HA VAL A 34 2.747 0.394 -7.808 1.00 0.00 H new ATOM 0 HB VAL A 34 0.333 2.134 -8.450 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.918 0.026 -8.232 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.305 -0.060 -9.523 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.609 -0.846 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.545 1.453 -6.252 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.998 0.642 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.949 2.409 -6.100 1.00 0.00 H new ATOM 458 N ALA A 35 3.028 0.234 -10.270 1.00 0.00 N ATOM 459 CA ALA A 35 3.284 0.136 -11.702 1.00 0.00 C ATOM 460 C ALA A 35 4.238 1.229 -12.171 1.00 0.00 C ATOM 461 O ALA A 35 4.218 1.628 -13.336 1.00 0.00 O ATOM 462 CB ALA A 35 1.976 0.208 -12.476 1.00 0.00 C ATOM 0 H ALA A 35 3.273 -0.602 -9.740 1.00 0.00 H new ATOM 0 HA ALA A 35 3.758 -0.827 -11.894 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.181 0.134 -13.544 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.328 -0.614 -12.173 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.481 1.156 -12.267 1.00 0.00 H new ATOM 468 N GLY A 36 5.077 1.711 -11.257 1.00 0.00 N ATOM 469 CA GLY A 36 6.028 2.754 -11.598 1.00 0.00 C ATOM 470 C GLY A 36 5.359 3.987 -12.176 1.00 0.00 C ATOM 471 O GLY A 36 5.939 4.682 -13.010 1.00 0.00 O ATOM 0 H GLY A 36 5.115 1.398 -10.287 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.590 3.034 -10.707 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.747 2.364 -12.318 1.00 0.00 H new ATOM 475 N GLN A 37 4.135 4.257 -11.733 1.00 0.00 N ATOM 476 CA GLN A 37 3.388 5.414 -12.214 1.00 0.00 C ATOM 477 C GLN A 37 2.527 6.006 -11.102 1.00 0.00 C ATOM 478 O GLN A 37 2.806 7.096 -10.601 1.00 0.00 O ATOM 479 CB GLN A 37 2.509 5.022 -13.403 1.00 0.00 C ATOM 480 CG GLN A 37 3.292 4.480 -14.586 1.00 0.00 C ATOM 481 CD GLN A 37 2.394 3.981 -15.701 1.00 0.00 C ATOM 482 OE1 GLN A 37 2.360 2.787 -16.000 1.00 0.00 O ATOM 483 NE2 GLN A 37 1.659 4.896 -16.323 1.00 0.00 N ATOM 0 H GLN A 37 3.640 3.692 -11.043 1.00 0.00 H new ATOM 0 HA GLN A 37 4.104 6.170 -12.535 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.789 4.270 -13.080 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.938 5.893 -13.724 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.945 5.262 -14.973 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.934 3.666 -14.250 1.00 0.00 H new ATOM 0 HE21 GLN A 37 1.719 5.875 -16.042 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.035 4.620 -17.081 1.00 0.00 H new ATOM 492 N LYS A 38 1.480 5.282 -10.721 1.00 0.00 N ATOM 493 CA LYS A 38 0.579 5.735 -9.668 1.00 0.00 C ATOM 494 C LYS A 38 1.285 5.750 -8.316 1.00 0.00 C ATOM 495 O LYS A 38 1.498 4.703 -7.704 1.00 0.00 O ATOM 496 CB LYS A 38 -0.656 4.836 -9.602 1.00 0.00 C ATOM 497 CG LYS A 38 -1.643 5.071 -10.734 1.00 0.00 C ATOM 498 CD LYS A 38 -2.750 4.030 -10.733 1.00 0.00 C ATOM 499 CE LYS A 38 -3.162 3.655 -12.147 1.00 0.00 C ATOM 500 NZ LYS A 38 -4.492 2.986 -12.180 1.00 0.00 N ATOM 0 H LYS A 38 1.234 4.379 -11.126 1.00 0.00 H new ATOM 0 HA LYS A 38 0.267 6.752 -9.905 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.337 3.794 -9.620 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.162 4.998 -8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.078 6.066 -10.638 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.117 5.043 -11.688 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.413 3.139 -10.203 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.614 4.416 -10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.191 4.552 -12.766 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -2.412 2.993 -12.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.736 2.747 -13.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -4.458 2.117 -11.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.213 3.627 -11.791 1.00 0.00 H new ATOM 514 N GLN A 39 1.646 6.944 -7.856 1.00 0.00 N ATOM 515 CA GLN A 39 2.329 7.095 -6.576 1.00 0.00 C ATOM 516 C GLN A 39 1.329 7.104 -5.424 1.00 0.00 C ATOM 517 O GLN A 39 0.198 7.567 -5.575 1.00 0.00 O ATOM 518 CB GLN A 39 3.152 8.384 -6.563 1.00 0.00 C ATOM 519 CG GLN A 39 4.375 8.316 -5.663 1.00 0.00 C ATOM 520 CD GLN A 39 4.723 9.659 -5.050 1.00 0.00 C ATOM 521 OE1 GLN A 39 3.850 10.377 -4.563 1.00 0.00 O ATOM 522 NE2 GLN A 39 6.005 10.005 -5.073 1.00 0.00 N ATOM 0 H GLN A 39 1.477 7.820 -8.350 1.00 0.00 H new ATOM 0 HA GLN A 39 2.998 6.244 -6.446 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.472 8.611 -7.580 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.517 9.208 -6.237 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.196 7.593 -4.867 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.226 7.952 -6.239 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.695 9.378 -5.487 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.300 10.897 -4.676 1.00 0.00 H new ATOM 531 N GLY A 40 1.752 6.590 -4.274 1.00 0.00 N ATOM 532 CA GLY A 40 0.882 6.550 -3.114 1.00 0.00 C ATOM 533 C GLY A 40 1.585 6.023 -1.878 1.00 0.00 C ATOM 534 O GLY A 40 2.813 5.958 -1.835 1.00 0.00 O ATOM 0 H GLY A 40 2.683 6.200 -4.125 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.504 7.552 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.019 5.921 -3.333 1.00 0.00 H new ATOM 538 N ILE A 41 0.804 5.646 -0.871 1.00 0.00 N ATOM 539 CA ILE A 41 1.358 5.122 0.371 1.00 0.00 C ATOM 540 C ILE A 41 0.608 3.875 0.825 1.00 0.00 C ATOM 541 O ILE A 41 -0.618 3.809 0.738 1.00 0.00 O ATOM 542 CB ILE A 41 1.309 6.173 1.496 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.862 7.511 1.001 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.087 5.688 2.710 1.00 0.00 C ATOM 545 CD1 ILE A 41 0.815 8.404 0.374 1.00 0.00 C ATOM 0 H ILE A 41 -0.215 5.694 -0.891 1.00 0.00 H new ATOM 0 HA ILE A 41 2.398 4.865 0.169 1.00 0.00 H new ATOM 0 HB ILE A 41 0.270 6.319 1.790 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.322 8.037 1.838 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.650 7.322 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.043 6.442 3.496 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.650 4.758 3.074 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.126 5.516 2.431 1.00 0.00 H new ATOM 0 HD11 ILE A 41 1.279 9.334 0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.372 7.898 -0.484 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.039 8.624 1.107 1.00 0.00 H new ATOM 557 N VAL A 42 1.353 2.887 1.312 1.00 0.00 N ATOM 558 CA VAL A 42 0.758 1.642 1.781 1.00 0.00 C ATOM 559 C VAL A 42 -0.014 1.859 3.078 1.00 0.00 C ATOM 560 O VAL A 42 0.520 2.401 4.046 1.00 0.00 O ATOM 561 CB VAL A 42 1.828 0.556 2.008 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.177 -0.775 2.351 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.721 0.420 0.783 1.00 0.00 C ATOM 0 H VAL A 42 2.369 2.925 1.392 1.00 0.00 H new ATOM 0 HA VAL A 42 0.072 1.306 1.003 1.00 0.00 H new ATOM 0 HB VAL A 42 2.449 0.858 2.851 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.949 -1.528 2.507 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.586 -0.667 3.260 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.529 -1.085 1.531 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.470 -0.351 0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.115 0.144 -0.080 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.218 1.370 0.588 1.00 0.00 H new ATOM 573 N ARG A 43 -1.273 1.433 3.090 1.00 0.00 N ATOM 574 CA ARG A 43 -2.119 1.582 4.269 1.00 0.00 C ATOM 575 C ARG A 43 -2.409 0.227 4.906 1.00 0.00 C ATOM 576 O ARG A 43 -2.558 0.122 6.124 1.00 0.00 O ATOM 577 CB ARG A 43 -3.431 2.275 3.895 1.00 0.00 C ATOM 578 CG ARG A 43 -3.268 3.751 3.572 1.00 0.00 C ATOM 579 CD ARG A 43 -3.148 4.588 4.836 1.00 0.00 C ATOM 580 NE ARG A 43 -2.502 5.874 4.583 1.00 0.00 N ATOM 581 CZ ARG A 43 -2.562 6.910 5.416 1.00 0.00 C ATOM 582 NH1 ARG A 43 -3.237 6.817 6.554 1.00 0.00 N ATOM 583 NH2 ARG A 43 -1.946 8.043 5.109 1.00 0.00 N ATOM 0 H ARG A 43 -1.730 0.982 2.297 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.585 2.196 4.994 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.867 1.769 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.137 2.168 4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.381 3.894 2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.122 4.093 2.987 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -4.140 4.757 5.254 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.577 4.036 5.583 1.00 0.00 H new ATOM 0 HE ARG A 43 -1.974 5.984 3.717 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.714 5.948 6.795 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.279 7.615 7.188 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -1.426 8.120 4.235 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.992 8.837 5.747 1.00 0.00 H new ATOM 597 N PHE A 44 -2.488 -0.807 4.075 1.00 0.00 N ATOM 598 CA PHE A 44 -2.760 -2.156 4.559 1.00 0.00 C ATOM 599 C PHE A 44 -1.935 -3.185 3.792 1.00 0.00 C ATOM 600 O PHE A 44 -2.199 -3.460 2.622 1.00 0.00 O ATOM 601 CB PHE A 44 -4.248 -2.479 4.426 1.00 0.00 C ATOM 602 CG PHE A 44 -4.633 -3.795 5.040 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.746 -3.925 6.415 1.00 0.00 C ATOM 604 CD2 PHE A 44 -4.881 -4.900 4.243 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.099 -5.135 6.983 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.234 -6.112 4.806 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.344 -6.230 6.178 1.00 0.00 C ATOM 0 H PHE A 44 -2.368 -0.737 3.065 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.479 -2.200 5.611 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.828 -1.684 4.896 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.517 -2.487 3.370 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.556 -3.072 7.050 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.798 -4.814 3.170 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.183 -5.224 8.056 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.424 -6.967 4.173 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.621 -7.176 6.620 1.00 0.00 H new ATOM 617 N TYR A 45 -0.935 -3.749 4.461 1.00 0.00 N ATOM 618 CA TYR A 45 -0.071 -4.749 3.843 1.00 0.00 C ATOM 619 C TYR A 45 -0.329 -6.131 4.435 1.00 0.00 C ATOM 620 O TYR A 45 -0.383 -6.295 5.654 1.00 0.00 O ATOM 621 CB TYR A 45 1.399 -4.365 4.029 1.00 0.00 C ATOM 622 CG TYR A 45 2.367 -5.350 3.412 1.00 0.00 C ATOM 623 CD1 TYR A 45 2.105 -5.936 2.180 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.546 -5.695 4.064 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.988 -6.837 1.615 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.433 -6.594 3.505 1.00 0.00 C ATOM 627 CZ TYR A 45 4.150 -7.162 2.282 1.00 0.00 C ATOM 628 OH TYR A 45 5.032 -8.058 1.723 1.00 0.00 O ATOM 0 H TYR A 45 -0.703 -3.531 5.430 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.298 -4.784 2.778 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.567 -3.381 3.591 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.611 -4.280 5.095 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.196 -5.683 1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.772 -5.253 5.023 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.769 -7.284 0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.345 -6.851 4.024 1.00 0.00 H new ATOM 0 HH TYR A 45 5.800 -8.176 2.320 1.00 0.00 H new ATOM 638 N GLY A 46 -0.488 -7.122 3.563 1.00 0.00 N ATOM 639 CA GLY A 46 -0.739 -8.476 4.019 1.00 0.00 C ATOM 640 C GLY A 46 -1.385 -9.338 2.952 1.00 0.00 C ATOM 641 O GLY A 46 -0.998 -9.283 1.784 1.00 0.00 O ATOM 0 H GLY A 46 -0.447 -7.011 2.550 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.201 -8.932 4.329 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.384 -8.446 4.897 1.00 0.00 H new ATOM 645 N LYS A 47 -2.370 -10.134 3.352 1.00 0.00 N ATOM 646 CA LYS A 47 -3.071 -11.011 2.422 1.00 0.00 C ATOM 647 C LYS A 47 -4.448 -10.452 2.079 1.00 0.00 C ATOM 648 O LYS A 47 -5.039 -9.708 2.861 1.00 0.00 O ATOM 649 CB LYS A 47 -3.210 -12.414 3.017 1.00 0.00 C ATOM 650 CG LYS A 47 -1.879 -13.110 3.251 1.00 0.00 C ATOM 651 CD LYS A 47 -1.950 -14.584 2.889 1.00 0.00 C ATOM 652 CE LYS A 47 -0.566 -15.165 2.646 1.00 0.00 C ATOM 653 NZ LYS A 47 -0.166 -15.063 1.215 1.00 0.00 N ATOM 0 H LYS A 47 -2.701 -10.190 4.315 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.485 -11.070 1.505 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.747 -12.347 3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.817 -13.025 2.349 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.104 -12.625 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.591 -13.005 4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.441 -15.134 3.692 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.561 -14.711 1.996 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.162 -14.641 3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.552 -16.211 2.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.783 -15.470 1.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.846 -15.585 0.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.155 -14.063 0.928 1.00 0.00 H new ATOM 667 N THR A 48 -4.955 -10.818 0.906 1.00 0.00 N ATOM 668 CA THR A 48 -6.264 -10.355 0.461 1.00 0.00 C ATOM 669 C THR A 48 -7.221 -11.528 0.275 1.00 0.00 C ATOM 670 O THR A 48 -6.859 -12.681 0.511 1.00 0.00 O ATOM 671 CB THR A 48 -6.134 -9.576 -0.849 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.837 -10.448 -1.925 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.057 -8.514 -0.809 1.00 0.00 C ATOM 0 H THR A 48 -4.479 -11.434 0.247 1.00 0.00 H new ATOM 0 HA THR A 48 -6.669 -9.696 1.229 1.00 0.00 H new ATOM 0 HB THR A 48 -7.098 -9.088 -0.991 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.428 -11.268 -1.578 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.018 -7.999 -1.769 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.283 -7.796 -0.021 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.093 -8.981 -0.608 1.00 0.00 H new ATOM 681 N ASP A 49 -8.445 -11.226 -0.146 1.00 0.00 N ATOM 682 CA ASP A 49 -9.456 -12.256 -0.360 1.00 0.00 C ATOM 683 C ASP A 49 -9.767 -12.418 -1.846 1.00 0.00 C ATOM 684 O ASP A 49 -10.186 -13.489 -2.287 1.00 0.00 O ATOM 685 CB ASP A 49 -10.735 -11.909 0.406 1.00 0.00 C ATOM 686 CG ASP A 49 -11.370 -13.125 1.051 1.00 0.00 C ATOM 687 OD1 ASP A 49 -11.320 -14.215 0.442 1.00 0.00 O ATOM 688 OD2 ASP A 49 -11.917 -12.988 2.165 1.00 0.00 O ATOM 0 H ASP A 49 -8.761 -10.277 -0.346 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.060 -13.201 0.013 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.506 -11.171 1.175 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.450 -11.448 -0.276 1.00 0.00 H new ATOM 693 N PHE A 50 -9.563 -11.351 -2.613 1.00 0.00 N ATOM 694 CA PHE A 50 -9.827 -11.381 -4.047 1.00 0.00 C ATOM 695 C PHE A 50 -8.778 -12.211 -4.782 1.00 0.00 C ATOM 696 O PHE A 50 -9.081 -12.873 -5.773 1.00 0.00 O ATOM 697 CB PHE A 50 -9.855 -9.959 -4.611 1.00 0.00 C ATOM 698 CG PHE A 50 -8.567 -9.209 -4.418 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.467 -9.479 -5.216 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.459 -8.235 -3.440 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.282 -8.791 -5.041 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.276 -7.543 -3.260 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.186 -7.821 -4.062 1.00 0.00 C ATOM 0 H PHE A 50 -9.216 -10.457 -2.266 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.801 -11.846 -4.199 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.083 -10.004 -5.676 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.663 -9.404 -4.135 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.537 -10.236 -5.983 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.308 -8.013 -2.811 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.431 -9.011 -5.669 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -7.204 -6.786 -2.493 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.261 -7.281 -3.924 1.00 0.00 H new ATOM 713 N ALA A 51 -7.544 -12.170 -4.290 1.00 0.00 N ATOM 714 CA ALA A 51 -6.454 -12.919 -4.905 1.00 0.00 C ATOM 715 C ALA A 51 -5.424 -13.352 -3.864 1.00 0.00 C ATOM 716 O ALA A 51 -5.198 -12.656 -2.874 1.00 0.00 O ATOM 717 CB ALA A 51 -5.790 -12.087 -5.991 1.00 0.00 C ATOM 0 H ALA A 51 -7.274 -11.628 -3.469 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.875 -13.818 -5.355 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.978 -12.658 -6.442 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.524 -11.834 -6.756 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.391 -11.171 -5.555 1.00 0.00 H new ATOM 723 N PRO A 52 -4.782 -14.514 -4.075 1.00 0.00 N ATOM 724 CA PRO A 52 -3.772 -15.038 -3.152 1.00 0.00 C ATOM 725 C PRO A 52 -2.443 -14.297 -3.264 1.00 0.00 C ATOM 726 O PRO A 52 -2.208 -13.566 -4.226 1.00 0.00 O ATOM 727 CB PRO A 52 -3.613 -16.490 -3.599 1.00 0.00 C ATOM 728 CG PRO A 52 -3.939 -16.472 -5.052 1.00 0.00 C ATOM 729 CD PRO A 52 -4.990 -15.409 -5.231 1.00 0.00 C ATOM 0 HA PRO A 52 -4.071 -14.926 -2.110 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.599 -16.850 -3.424 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -4.285 -17.150 -3.050 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.054 -16.249 -5.647 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.308 -17.444 -5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.867 -14.879 -6.175 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.994 -15.834 -5.233 1.00 0.00 H new ATOM 737 N GLY A 53 -1.577 -14.493 -2.276 1.00 0.00 N ATOM 738 CA GLY A 53 -0.282 -13.838 -2.284 1.00 0.00 C ATOM 739 C GLY A 53 -0.247 -12.608 -1.399 1.00 0.00 C ATOM 740 O GLY A 53 -1.169 -12.369 -0.619 1.00 0.00 O ATOM 0 H GLY A 53 -1.748 -15.094 -1.470 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.480 -14.543 -1.951 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -0.029 -13.554 -3.305 1.00 0.00 H new ATOM 744 N TYR A 54 0.820 -11.824 -1.522 1.00 0.00 N ATOM 745 CA TYR A 54 0.974 -10.611 -0.728 1.00 0.00 C ATOM 746 C TYR A 54 0.647 -9.373 -1.557 1.00 0.00 C ATOM 747 O TYR A 54 1.210 -9.167 -2.632 1.00 0.00 O ATOM 748 CB TYR A 54 2.400 -10.510 -0.182 1.00 0.00 C ATOM 749 CG TYR A 54 2.760 -11.617 0.783 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.115 -11.733 2.008 1.00 0.00 C ATOM 751 CD2 TYR A 54 3.746 -12.543 0.469 1.00 0.00 C ATOM 752 CE1 TYR A 54 2.443 -12.742 2.894 1.00 0.00 C ATOM 753 CE2 TYR A 54 4.078 -13.557 1.350 1.00 0.00 C ATOM 754 CZ TYR A 54 3.424 -13.651 2.559 1.00 0.00 C ATOM 755 OH TYR A 54 3.752 -14.658 3.439 1.00 0.00 O ATOM 0 H TYR A 54 1.591 -12.008 -2.164 1.00 0.00 H new ATOM 0 HA TYR A 54 0.275 -10.663 0.107 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.101 -10.525 -1.016 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.521 -9.549 0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.345 -11.023 2.272 1.00 0.00 H new ATOM 0 HD2 TYR A 54 4.262 -12.471 -0.477 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.934 -12.818 3.843 1.00 0.00 H new ATOM 0 HE2 TYR A 54 4.846 -14.271 1.091 1.00 0.00 H new ATOM 0 HH TYR A 54 4.461 -15.213 3.051 1.00 0.00 H new ATOM 765 N TRP A 55 -0.268 -8.552 -1.050 1.00 0.00 N ATOM 766 CA TRP A 55 -0.670 -7.334 -1.743 1.00 0.00 C ATOM 767 C TRP A 55 -0.550 -6.121 -0.826 1.00 0.00 C ATOM 768 O TRP A 55 -0.577 -6.252 0.398 1.00 0.00 O ATOM 769 CB TRP A 55 -2.106 -7.463 -2.254 1.00 0.00 C ATOM 770 CG TRP A 55 -2.296 -8.602 -3.209 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.410 -9.926 -2.895 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.393 -8.517 -4.635 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.572 -10.669 -4.039 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.565 -9.827 -5.120 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.351 -7.461 -5.549 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.696 -10.108 -6.478 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.481 -7.740 -6.897 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.651 -9.054 -7.350 1.00 0.00 C ATOM 0 H TRP A 55 -0.745 -8.709 -0.162 1.00 0.00 H new ATOM 0 HA TRP A 55 -0.002 -7.192 -2.592 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.776 -7.595 -1.404 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.394 -6.534 -2.746 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.378 -10.330 -1.894 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.680 -11.683 -4.077 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.219 -6.445 -5.209 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.828 -11.120 -6.830 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.451 -6.931 -7.612 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.749 -9.240 -8.409 1.00 0.00 H new ATOM 789 N TYR A 56 -0.417 -4.942 -1.425 1.00 0.00 N ATOM 790 CA TYR A 56 -0.292 -3.706 -0.661 1.00 0.00 C ATOM 791 C TYR A 56 -1.509 -2.811 -0.869 1.00 0.00 C ATOM 792 O TYR A 56 -1.837 -2.444 -1.998 1.00 0.00 O ATOM 793 CB TYR A 56 0.979 -2.958 -1.067 1.00 0.00 C ATOM 794 CG TYR A 56 2.251 -3.727 -0.786 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.512 -4.931 -1.425 1.00 0.00 C ATOM 796 CD2 TYR A 56 3.189 -3.246 0.119 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.673 -5.637 -1.171 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.354 -3.945 0.378 1.00 0.00 C ATOM 799 CZ TYR A 56 4.590 -5.140 -0.269 1.00 0.00 C ATOM 800 OH TYR A 56 5.747 -5.838 -0.014 1.00 0.00 O ATOM 0 H TYR A 56 -0.393 -4.817 -2.437 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.232 -3.967 0.396 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.931 -2.728 -2.131 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.015 -2.006 -0.537 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.796 -5.323 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 56 3.006 -2.311 0.628 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.861 -6.573 -1.676 1.00 0.00 H new ATOM 0 HE2 TYR A 56 5.075 -3.557 1.083 1.00 0.00 H new ATOM 0 HH TYR A 56 5.561 -6.558 0.624 1.00 0.00 H new ATOM 810 N GLY A 57 -2.176 -2.463 0.227 1.00 0.00 N ATOM 811 CA GLY A 57 -3.347 -1.612 0.144 1.00 0.00 C ATOM 812 C GLY A 57 -2.990 -0.140 0.101 1.00 0.00 C ATOM 813 O GLY A 57 -3.268 0.602 1.043 1.00 0.00 O ATOM 0 H GLY A 57 -1.925 -2.756 1.171 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.918 -1.871 -0.748 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -3.992 -1.802 1.002 1.00 0.00 H new ATOM 817 N ILE A 58 -2.372 0.285 -0.996 1.00 0.00 N ATOM 818 CA ILE A 58 -1.975 1.678 -1.159 1.00 0.00 C ATOM 819 C ILE A 58 -3.184 2.566 -1.431 1.00 0.00 C ATOM 820 O ILE A 58 -4.079 2.197 -2.191 1.00 0.00 O ATOM 821 CB ILE A 58 -0.961 1.844 -2.309 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.189 0.848 -2.153 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.431 3.270 -2.347 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.937 0.583 -3.442 1.00 0.00 C ATOM 0 H ILE A 58 -2.135 -0.316 -1.785 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.506 1.984 -0.224 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.468 1.640 -3.252 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.888 1.226 -1.408 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.206 -0.094 -1.771 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.283 3.371 -3.164 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.259 3.962 -2.501 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.063 3.500 -1.403 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.739 -0.132 -3.257 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.250 0.175 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.361 1.515 -3.815 1.00 0.00 H new ATOM 836 N GLU A 59 -3.203 3.739 -0.806 1.00 0.00 N ATOM 837 CA GLU A 59 -4.302 4.682 -0.981 1.00 0.00 C ATOM 838 C GLU A 59 -3.826 5.948 -1.684 1.00 0.00 C ATOM 839 O GLU A 59 -3.047 6.723 -1.128 1.00 0.00 O ATOM 840 CB GLU A 59 -4.916 5.036 0.375 1.00 0.00 C ATOM 841 CG GLU A 59 -6.092 5.996 0.278 1.00 0.00 C ATOM 842 CD GLU A 59 -5.757 7.382 0.794 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.949 8.078 0.143 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.301 7.770 1.849 1.00 0.00 O ATOM 0 H GLU A 59 -2.470 4.059 -0.174 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.061 4.208 -1.603 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.245 4.120 0.866 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.147 5.479 1.008 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.414 6.067 -0.761 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.932 5.594 0.845 1.00 0.00 H new ATOM 851 N LEU A 60 -4.297 6.152 -2.910 1.00 0.00 N ATOM 852 CA LEU A 60 -3.918 7.325 -3.689 1.00 0.00 C ATOM 853 C LEU A 60 -4.597 8.579 -3.148 1.00 0.00 C ATOM 854 O LEU A 60 -5.448 8.503 -2.262 1.00 0.00 O ATOM 855 CB LEU A 60 -4.284 7.126 -5.161 1.00 0.00 C ATOM 856 CG LEU A 60 -3.858 5.784 -5.759 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.716 5.442 -6.968 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.386 5.815 -6.139 1.00 0.00 C ATOM 0 H LEU A 60 -4.942 5.520 -3.385 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.839 7.453 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.364 7.228 -5.268 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -3.829 7.927 -5.744 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.003 5.009 -5.006 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.399 4.484 -7.380 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.761 5.379 -6.666 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.604 6.218 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.099 4.853 -6.563 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.217 6.601 -6.875 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.785 6.014 -5.252 1.00 0.00 H new ATOM 870 N ASP A 61 -4.216 9.732 -3.689 1.00 0.00 N ATOM 871 CA ASP A 61 -4.789 11.003 -3.261 1.00 0.00 C ATOM 872 C ASP A 61 -5.828 11.495 -4.263 1.00 0.00 C ATOM 873 O ASP A 61 -6.798 12.156 -3.893 1.00 0.00 O ATOM 874 CB ASP A 61 -3.689 12.052 -3.094 1.00 0.00 C ATOM 875 CG ASP A 61 -2.899 12.270 -4.370 1.00 0.00 C ATOM 876 OD1 ASP A 61 -2.092 11.387 -4.727 1.00 0.00 O ATOM 877 OD2 ASP A 61 -3.089 13.326 -5.011 1.00 0.00 O ATOM 0 H ASP A 61 -3.513 9.812 -4.424 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.281 10.847 -2.301 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -4.135 12.996 -2.781 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.011 11.740 -2.299 1.00 0.00 H new ATOM 882 N GLN A 62 -5.618 11.168 -5.534 1.00 0.00 N ATOM 883 CA GLN A 62 -6.536 11.577 -6.590 1.00 0.00 C ATOM 884 C GLN A 62 -7.363 10.391 -7.080 1.00 0.00 C ATOM 885 O GLN A 62 -6.963 9.238 -6.924 1.00 0.00 O ATOM 886 CB GLN A 62 -5.763 12.191 -7.759 1.00 0.00 C ATOM 887 CG GLN A 62 -4.520 11.405 -8.146 1.00 0.00 C ATOM 888 CD GLN A 62 -4.062 11.702 -9.561 1.00 0.00 C ATOM 889 OE1 GLN A 62 -4.518 12.659 -10.186 1.00 0.00 O ATOM 890 NE2 GLN A 62 -3.154 10.878 -10.072 1.00 0.00 N ATOM 0 H GLN A 62 -4.820 10.621 -5.857 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.213 12.326 -6.179 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -6.423 12.260 -8.624 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.473 13.209 -7.497 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -3.715 11.640 -7.450 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.724 10.339 -8.050 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.804 10.097 -9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.807 11.026 -11.020 1.00 0.00 H new ATOM 899 N PRO A 63 -8.533 10.661 -7.685 1.00 0.00 N ATOM 900 CA PRO A 63 -9.416 9.609 -8.200 1.00 0.00 C ATOM 901 C PRO A 63 -8.789 8.846 -9.362 1.00 0.00 C ATOM 902 O PRO A 63 -9.061 9.135 -10.527 1.00 0.00 O ATOM 903 CB PRO A 63 -10.656 10.375 -8.671 1.00 0.00 C ATOM 904 CG PRO A 63 -10.177 11.765 -8.919 1.00 0.00 C ATOM 905 CD PRO A 63 -9.086 12.008 -7.915 1.00 0.00 C ATOM 0 HA PRO A 63 -9.630 8.854 -7.444 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.073 9.933 -9.576 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.442 10.357 -7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.803 11.874 -9.937 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -10.987 12.485 -8.798 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.330 12.693 -8.299 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.475 12.446 -6.996 1.00 0.00 H new ATOM 913 N THR A 64 -7.948 7.870 -9.035 1.00 0.00 N ATOM 914 CA THR A 64 -7.281 7.064 -10.052 1.00 0.00 C ATOM 915 C THR A 64 -6.872 5.707 -9.487 1.00 0.00 C ATOM 916 O THR A 64 -5.837 5.155 -9.862 1.00 0.00 O ATOM 917 CB THR A 64 -6.051 7.798 -10.587 1.00 0.00 C ATOM 918 OG1 THR A 64 -5.397 7.025 -11.578 1.00 0.00 O ATOM 919 CG2 THR A 64 -5.033 8.123 -9.514 1.00 0.00 C ATOM 0 H THR A 64 -7.712 7.618 -8.075 1.00 0.00 H new ATOM 0 HA THR A 64 -7.983 6.901 -10.870 1.00 0.00 H new ATOM 0 HB THR A 64 -6.430 8.732 -11.001 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.183 6.140 -11.215 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.186 8.643 -9.962 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.492 8.760 -8.758 1.00 0.00 H new ATOM 0 HG23 THR A 64 -4.687 7.200 -9.049 1.00 0.00 H new ATOM 927 N GLY A 65 -7.690 5.174 -8.586 1.00 0.00 N ATOM 928 CA GLY A 65 -7.395 3.887 -7.987 1.00 0.00 C ATOM 929 C GLY A 65 -8.141 2.749 -8.657 1.00 0.00 C ATOM 930 O GLY A 65 -8.146 2.638 -9.882 1.00 0.00 O ATOM 0 H GLY A 65 -8.552 5.611 -8.260 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.323 3.699 -8.047 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.655 3.914 -6.929 1.00 0.00 H new ATOM 934 N LYS A 66 -8.774 1.903 -7.851 1.00 0.00 N ATOM 935 CA LYS A 66 -9.526 0.768 -8.373 1.00 0.00 C ATOM 936 C LYS A 66 -10.766 0.501 -7.526 1.00 0.00 C ATOM 937 O LYS A 66 -11.890 0.521 -8.029 1.00 0.00 O ATOM 938 CB LYS A 66 -8.643 -0.481 -8.414 1.00 0.00 C ATOM 939 CG LYS A 66 -7.633 -0.474 -9.550 1.00 0.00 C ATOM 940 CD LYS A 66 -7.811 -1.676 -10.466 1.00 0.00 C ATOM 941 CE LYS A 66 -7.423 -2.969 -9.769 1.00 0.00 C ATOM 942 NZ LYS A 66 -5.948 -3.089 -9.603 1.00 0.00 N ATOM 0 H LYS A 66 -8.781 1.982 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.846 1.011 -9.386 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -8.111 -0.571 -7.467 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.278 -1.362 -8.509 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -7.741 0.444 -10.128 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -6.623 -0.475 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.849 -1.735 -10.793 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -7.202 -1.547 -11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -7.903 -3.013 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -7.794 -3.817 -10.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.715 -4.039 -9.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.482 -2.937 -10.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.616 -2.375 -8.924 1.00 0.00 H new ATOM 956 N HIS A 67 -10.555 0.250 -6.238 1.00 0.00 N ATOM 957 CA HIS A 67 -11.656 -0.020 -5.321 1.00 0.00 C ATOM 958 C HIS A 67 -11.833 1.127 -4.331 1.00 0.00 C ATOM 959 O HIS A 67 -10.949 1.969 -4.178 1.00 0.00 O ATOM 960 CB HIS A 67 -11.413 -1.329 -4.566 1.00 0.00 C ATOM 961 CG HIS A 67 -10.031 -1.449 -4.004 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.725 -1.265 -2.673 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.859 -1.745 -4.620 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.406 -1.449 -2.525 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.833 -1.744 -3.676 1.00 0.00 N ATOM 0 H HIS A 67 -9.631 0.228 -5.806 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.569 -0.114 -5.909 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.135 -1.409 -3.753 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.596 -2.166 -5.239 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.740 -1.949 -5.674 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -7.880 -1.366 -1.585 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.844 -1.932 -3.841 1.00 0.00 H new ATOM 973 N ASP A 68 -12.981 1.153 -3.662 1.00 0.00 N ATOM 974 CA ASP A 68 -13.273 2.197 -2.687 1.00 0.00 C ATOM 975 C ASP A 68 -12.978 1.717 -1.269 1.00 0.00 C ATOM 976 O ASP A 68 -13.691 2.061 -0.325 1.00 0.00 O ATOM 977 CB ASP A 68 -14.736 2.631 -2.797 1.00 0.00 C ATOM 978 CG ASP A 68 -15.033 3.875 -1.982 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.079 4.613 -1.655 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.219 4.111 -1.671 1.00 0.00 O ATOM 0 H ASP A 68 -13.724 0.463 -3.777 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.630 3.050 -2.903 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -14.979 2.819 -3.843 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.380 1.818 -2.461 1.00 0.00 H new ATOM 985 N GLY A 69 -11.923 0.922 -1.126 1.00 0.00 N ATOM 986 CA GLY A 69 -11.552 0.409 0.179 1.00 0.00 C ATOM 987 C GLY A 69 -12.087 -0.989 0.426 1.00 0.00 C ATOM 988 O GLY A 69 -11.459 -1.786 1.123 1.00 0.00 O ATOM 0 H GLY A 69 -11.318 0.624 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.466 0.400 0.267 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.929 1.081 0.951 1.00 0.00 H new ATOM 992 N SER A 70 -13.249 -1.285 -0.145 1.00 0.00 N ATOM 993 CA SER A 70 -13.869 -2.596 0.016 1.00 0.00 C ATOM 994 C SER A 70 -13.918 -3.340 -1.314 1.00 0.00 C ATOM 995 O SER A 70 -14.154 -2.743 -2.363 1.00 0.00 O ATOM 996 CB SER A 70 -15.281 -2.449 0.584 1.00 0.00 C ATOM 997 OG SER A 70 -16.011 -1.454 -0.113 1.00 0.00 O ATOM 0 H SER A 70 -13.781 -0.635 -0.724 1.00 0.00 H new ATOM 0 HA SER A 70 -13.263 -3.174 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.804 -3.403 0.516 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.226 -2.190 1.641 1.00 0.00 H new ATOM 0 HG SER A 70 -16.911 -1.381 0.268 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.693 -4.650 -1.262 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.713 -5.476 -2.462 1.00 0.00 C ATOM 1005 C VAL A 71 -14.576 -6.717 -2.261 1.00 0.00 C ATOM 1006 O VAL A 71 -14.224 -7.612 -1.492 1.00 0.00 O ATOM 1007 CB VAL A 71 -12.292 -5.912 -2.866 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -12.309 -6.603 -4.220 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -11.350 -4.718 -2.880 1.00 0.00 C ATOM 0 H VAL A 71 -13.495 -5.161 -0.402 1.00 0.00 H new ATOM 0 HA VAL A 71 -14.139 -4.867 -3.259 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.927 -6.624 -2.126 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.296 -6.903 -4.488 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.948 -7.485 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.695 -5.917 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.351 -5.046 -3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.710 -3.979 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.313 -4.272 -1.886 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.707 -6.764 -2.956 1.00 0.00 N ATOM 1020 CA PHE A 72 -16.621 -7.895 -2.853 1.00 0.00 C ATOM 1021 C PHE A 72 -17.139 -8.051 -1.427 1.00 0.00 C ATOM 1022 O PHE A 72 -17.424 -9.161 -0.978 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.925 -9.182 -3.299 1.00 0.00 C ATOM 1024 CG PHE A 72 -15.431 -9.138 -4.718 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -16.318 -8.969 -5.768 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -14.081 -9.266 -4.998 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.867 -8.927 -7.074 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.623 -9.226 -6.302 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.518 -9.057 -7.341 1.00 0.00 C ATOM 0 H PHE A 72 -16.013 -6.032 -3.597 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.470 -7.703 -3.508 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -15.083 -9.378 -2.636 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.618 -10.016 -3.190 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.374 -8.869 -5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.378 -9.399 -4.189 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.568 -8.793 -7.884 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.568 -9.327 -6.508 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.163 -9.027 -8.361 1.00 0.00 H new ATOM 1039 N GLY A 73 -17.255 -6.932 -0.720 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.738 -6.966 0.649 1.00 0.00 C ATOM 1041 C GLY A 73 -16.611 -6.919 1.662 1.00 0.00 C ATOM 1042 O GLY A 73 -16.795 -6.445 2.782 1.00 0.00 O ATOM 0 H GLY A 73 -17.023 -6.002 -1.070 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.408 -6.123 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.323 -7.873 0.802 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.441 -7.412 1.267 1.00 0.00 N ATOM 1047 CA VAL A 74 -14.281 -7.425 2.150 1.00 0.00 C ATOM 1048 C VAL A 74 -13.670 -6.033 2.274 1.00 0.00 C ATOM 1049 O VAL A 74 -13.502 -5.327 1.280 1.00 0.00 O ATOM 1050 CB VAL A 74 -13.202 -8.403 1.646 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -12.084 -8.539 2.667 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.816 -9.760 1.333 1.00 0.00 C ATOM 0 H VAL A 74 -15.272 -7.807 0.342 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.631 -7.755 3.128 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.775 -8.001 0.727 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.332 -9.234 2.293 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.626 -7.565 2.837 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.492 -8.916 3.605 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.039 -10.438 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.271 -10.170 2.234 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.578 -9.646 0.562 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.340 -5.645 3.501 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.747 -4.337 3.757 1.00 0.00 C ATOM 1064 C ARG A 75 -11.269 -4.469 4.110 1.00 0.00 C ATOM 1065 O ARG A 75 -10.860 -5.427 4.765 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.493 -3.628 4.888 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.057 -2.187 5.094 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.178 -1.770 6.551 1.00 0.00 C ATOM 1069 NE ARG A 75 -12.445 -0.538 6.830 1.00 0.00 N ATOM 1070 CZ ARG A 75 -12.305 -0.017 8.047 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -12.848 -0.618 9.100 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -11.622 1.107 8.213 1.00 0.00 N ATOM 0 H ARG A 75 -13.473 -6.218 4.334 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.832 -3.743 2.847 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.562 -3.649 4.676 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.341 -4.181 5.815 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.025 -2.068 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.667 -1.529 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -14.230 -1.631 6.802 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -12.801 -2.569 7.189 1.00 0.00 H new ATOM 0 HE ARG A 75 -12.015 -0.048 6.046 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -13.375 -1.483 8.978 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -12.738 -0.215 10.030 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -11.203 1.573 7.408 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -11.515 1.506 9.146 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.472 -3.500 3.671 1.00 0.00 N ATOM 1087 CA TYR A 76 -9.040 -3.506 3.941 1.00 0.00 C ATOM 1088 C TYR A 76 -8.614 -2.226 4.652 1.00 0.00 C ATOM 1089 O TYR A 76 -7.845 -2.262 5.611 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.255 -3.666 2.637 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.620 -4.909 1.858 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.890 -5.065 1.317 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.694 -5.927 1.663 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -10.227 -6.200 0.604 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.024 -7.064 0.951 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.292 -7.196 0.423 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.624 -8.327 -0.286 1.00 0.00 O ATOM 0 H TYR A 76 -10.795 -2.700 3.126 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.822 -4.351 4.594 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.427 -2.791 2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.189 -3.690 2.865 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.626 -4.287 1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.701 -5.828 2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.219 -6.306 0.190 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.293 -7.846 0.808 1.00 0.00 H new ATOM 0 HH TYR A 76 -10.300 -8.104 -0.960 1.00 0.00 H new ATOM 1107 N PHE A 77 -9.121 -1.094 4.174 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.794 0.200 4.764 1.00 0.00 C ATOM 1109 C PHE A 77 -9.797 1.264 4.330 1.00 0.00 C ATOM 1110 O PHE A 77 -10.705 0.992 3.545 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.379 0.623 4.367 1.00 0.00 C ATOM 1112 CG PHE A 77 -7.130 0.573 2.887 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.759 -0.613 2.273 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.268 1.712 2.109 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.530 -0.661 0.911 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -7.039 1.669 0.747 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.669 0.480 0.147 1.00 0.00 C ATOM 0 H PHE A 77 -9.760 -1.046 3.380 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.844 0.100 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -7.198 1.637 4.723 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.661 -0.024 4.870 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.648 -1.509 2.865 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.558 2.643 2.573 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.242 -1.591 0.444 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -7.149 2.563 0.152 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.489 0.444 -0.917 1.00 0.00 H new ATOM 1127 N THR A 78 -9.625 2.476 4.846 1.00 0.00 N ATOM 1128 CA THR A 78 -10.514 3.583 4.511 1.00 0.00 C ATOM 1129 C THR A 78 -9.888 4.482 3.450 1.00 0.00 C ATOM 1130 O THR A 78 -8.884 5.149 3.703 1.00 0.00 O ATOM 1131 CB THR A 78 -10.841 4.400 5.762 1.00 0.00 C ATOM 1132 OG1 THR A 78 -9.776 4.337 6.695 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.097 3.936 6.468 1.00 0.00 C ATOM 0 H THR A 78 -8.878 2.717 5.498 1.00 0.00 H new ATOM 0 HA THR A 78 -11.437 3.165 4.108 1.00 0.00 H new ATOM 0 HB THR A 78 -10.997 5.419 5.409 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.003 4.867 7.487 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.271 4.557 7.346 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.947 4.019 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.979 2.897 6.776 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.486 4.496 2.264 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.987 5.314 1.166 1.00 0.00 C ATOM 1143 C CYS A 79 -11.139 5.892 0.350 1.00 0.00 C ATOM 1144 O CYS A 79 -12.223 5.311 0.289 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.071 4.487 0.262 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.896 3.102 -0.556 1.00 0.00 S ATOM 0 H CYS A 79 -11.317 3.950 2.039 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.417 6.140 1.591 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.642 5.140 -0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.242 4.102 0.857 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.183 2.025 -0.410 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.897 7.038 -0.277 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.914 7.696 -1.090 1.00 0.00 C ATOM 1154 C ALA A 80 -12.246 6.868 -2.329 1.00 0.00 C ATOM 1155 O ALA A 80 -11.542 5.912 -2.654 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.450 9.087 -1.490 1.00 0.00 C ATOM 0 H ALA A 80 -10.005 7.531 -0.238 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.821 7.786 -0.492 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.218 9.567 -2.096 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -11.270 9.682 -0.595 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.528 9.011 -2.066 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.329 7.226 -3.039 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.753 6.511 -4.248 1.00 0.00 C ATOM 1164 C PRO A 81 -12.656 6.463 -5.307 1.00 0.00 C ATOM 1165 O PRO A 81 -12.161 7.500 -5.750 1.00 0.00 O ATOM 1166 CB PRO A 81 -14.946 7.329 -4.754 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.439 8.069 -3.559 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.225 8.352 -2.720 1.00 0.00 C ATOM 0 HA PRO A 81 -13.995 5.469 -4.037 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.647 8.014 -5.547 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.721 6.683 -5.166 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.937 8.994 -3.850 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.167 7.476 -3.005 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.774 9.311 -2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.468 8.386 -1.658 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.284 5.253 -5.711 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.248 5.069 -6.721 1.00 0.00 C ATOM 1178 C ARG A 82 -9.909 5.622 -6.241 1.00 0.00 C ATOM 1179 O ARG A 82 -9.264 6.409 -6.933 1.00 0.00 O ATOM 1180 CB ARG A 82 -11.661 5.748 -8.031 1.00 0.00 C ATOM 1181 CG ARG A 82 -11.424 4.890 -9.263 1.00 0.00 C ATOM 1182 CD ARG A 82 -11.430 5.725 -10.533 1.00 0.00 C ATOM 1183 NE ARG A 82 -12.229 5.107 -11.590 1.00 0.00 N ATOM 1184 CZ ARG A 82 -11.801 4.103 -12.352 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -10.585 3.601 -12.178 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -12.593 3.600 -13.290 1.00 0.00 N ATOM 0 H ARG A 82 -12.684 4.385 -5.355 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.130 4.000 -6.896 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.718 6.008 -7.978 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.108 6.681 -8.137 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -10.468 4.374 -9.170 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -12.195 4.123 -9.327 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -11.825 6.717 -10.313 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.407 5.860 -10.883 1.00 0.00 H new ATOM 0 HE ARG A 82 -13.170 5.466 -11.753 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -9.973 3.984 -11.458 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -10.262 2.832 -12.765 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -13.529 3.983 -13.427 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -12.266 2.831 -13.875 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.492 5.201 -5.050 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.229 5.653 -4.479 1.00 0.00 C ATOM 1202 C HIS A 83 -7.340 4.466 -4.118 1.00 0.00 C ATOM 1203 O HIS A 83 -6.169 4.419 -4.492 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.481 6.511 -3.237 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.769 7.946 -3.549 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.326 9.003 -2.786 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.475 8.495 -4.571 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.765 10.134 -3.354 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.467 9.880 -4.441 1.00 0.00 N ATOM 0 H HIS A 83 -10.011 4.548 -4.463 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.716 6.255 -5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.320 6.093 -2.681 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.609 6.457 -2.585 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.763 8.937 -1.938 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.965 7.944 -5.360 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.569 11.125 -2.971 1.00 0.00 H new ATOM 1217 N GLY A 84 -7.906 3.510 -3.389 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.152 2.336 -2.991 1.00 0.00 C ATOM 1219 C GLY A 84 -6.760 1.470 -4.171 1.00 0.00 C ATOM 1220 O GLY A 84 -7.532 1.312 -5.117 1.00 0.00 O ATOM 0 H GLY A 84 -8.874 3.527 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.253 2.649 -2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.746 1.746 -2.293 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.558 0.905 -4.114 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.066 0.049 -5.187 1.00 0.00 C ATOM 1226 C VAL A 85 -4.169 -1.057 -4.639 1.00 0.00 C ATOM 1227 O VAL A 85 -3.234 -0.795 -3.883 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.279 0.858 -6.235 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.225 1.689 -7.088 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.243 1.743 -5.559 1.00 0.00 C ATOM 0 H VAL A 85 -4.908 1.024 -3.337 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.940 -0.396 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.756 0.160 -6.888 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.651 2.254 -7.823 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.925 1.030 -7.602 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.778 2.379 -6.451 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.697 2.307 -6.315 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.742 2.435 -4.881 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.546 1.122 -4.996 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.463 -2.294 -5.026 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.683 -3.442 -4.573 1.00 0.00 C ATOM 1242 C PHE A 86 -2.830 -4.001 -5.708 1.00 0.00 C ATOM 1243 O PHE A 86 -3.353 -4.507 -6.701 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.610 -4.532 -4.033 1.00 0.00 C ATOM 1245 CG PHE A 86 -4.956 -4.360 -2.581 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.003 -4.576 -1.598 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.234 -3.983 -2.199 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.318 -4.420 -0.262 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.554 -3.825 -0.865 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.595 -4.043 0.106 1.00 0.00 C ATOM 0 H PHE A 86 -5.234 -2.528 -5.651 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.021 -3.108 -3.774 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.529 -4.539 -4.619 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.135 -5.503 -4.173 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.003 -4.870 -1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.988 -3.811 -2.953 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.566 -4.593 0.494 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.554 -3.531 -0.581 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.843 -3.919 1.150 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.513 -3.907 -5.552 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.588 -4.405 -6.563 1.00 0.00 C ATOM 1262 C ALA A 87 0.573 -5.163 -5.923 1.00 0.00 C ATOM 1263 O ALA A 87 1.011 -4.826 -4.823 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.064 -3.255 -7.411 1.00 0.00 C ATOM 0 H ALA A 87 -1.063 -3.491 -4.736 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.131 -5.099 -7.204 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.626 -3.641 -8.162 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.898 -2.758 -7.906 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.457 -2.541 -6.773 1.00 0.00 H new ATOM 1270 N PRO A 88 1.089 -6.202 -6.603 1.00 0.00 N ATOM 1271 CA PRO A 88 2.204 -7.006 -6.090 1.00 0.00 C ATOM 1272 C PRO A 88 3.442 -6.162 -5.800 1.00 0.00 C ATOM 1273 O PRO A 88 3.746 -5.219 -6.527 1.00 0.00 O ATOM 1274 CB PRO A 88 2.492 -7.997 -7.224 1.00 0.00 C ATOM 1275 CG PRO A 88 1.234 -8.047 -8.021 1.00 0.00 C ATOM 1276 CD PRO A 88 0.628 -6.677 -7.920 1.00 0.00 C ATOM 0 HA PRO A 88 1.952 -7.485 -5.144 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.333 -7.666 -7.834 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.750 -8.981 -6.832 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.440 -8.308 -9.059 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.554 -8.804 -7.631 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.968 -6.026 -8.725 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.460 -6.713 -7.977 1.00 0.00 H new ATOM 1284 N ALA A 89 4.152 -6.511 -4.725 1.00 0.00 N ATOM 1285 CA ALA A 89 5.359 -5.788 -4.339 1.00 0.00 C ATOM 1286 C ALA A 89 6.268 -5.598 -5.545 1.00 0.00 C ATOM 1287 O ALA A 89 6.702 -4.485 -5.843 1.00 0.00 O ATOM 1288 CB ALA A 89 6.089 -6.528 -3.228 1.00 0.00 C ATOM 0 H ALA A 89 3.910 -7.288 -4.110 1.00 0.00 H new ATOM 0 HA ALA A 89 5.073 -4.805 -3.964 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.987 -5.975 -2.952 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.436 -6.617 -2.360 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.368 -7.523 -3.575 1.00 0.00 H new ATOM 1294 N SER A 90 6.532 -6.696 -6.247 1.00 0.00 N ATOM 1295 CA SER A 90 7.366 -6.654 -7.438 1.00 0.00 C ATOM 1296 C SER A 90 6.795 -5.648 -8.431 1.00 0.00 C ATOM 1297 O SER A 90 7.518 -5.100 -9.263 1.00 0.00 O ATOM 1298 CB SER A 90 7.451 -8.038 -8.083 1.00 0.00 C ATOM 1299 OG SER A 90 7.951 -8.998 -7.167 1.00 0.00 O ATOM 0 H SER A 90 6.180 -7.623 -6.010 1.00 0.00 H new ATOM 0 HA SER A 90 8.371 -6.345 -7.151 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.464 -8.342 -8.430 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.098 -7.995 -8.959 1.00 0.00 H new ATOM 0 HG SER A 90 7.994 -9.875 -7.603 1.00 0.00 H new ATOM 1305 N ARG A 91 5.491 -5.398 -8.320 1.00 0.00 N ATOM 1306 CA ARG A 91 4.823 -4.443 -9.192 1.00 0.00 C ATOM 1307 C ARG A 91 4.871 -3.042 -8.586 1.00 0.00 C ATOM 1308 O ARG A 91 4.614 -2.052 -9.271 1.00 0.00 O ATOM 1309 CB ARG A 91 3.371 -4.865 -9.432 1.00 0.00 C ATOM 1310 CG ARG A 91 3.159 -5.585 -10.754 1.00 0.00 C ATOM 1311 CD ARG A 91 1.823 -5.216 -11.381 1.00 0.00 C ATOM 1312 NE ARG A 91 0.776 -6.179 -11.046 1.00 0.00 N ATOM 1313 CZ ARG A 91 -0.496 -6.050 -11.416 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -0.882 -5.002 -12.133 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -1.384 -6.971 -11.068 1.00 0.00 N ATOM 0 H ARG A 91 4.881 -5.844 -7.635 1.00 0.00 H new ATOM 0 HA ARG A 91 5.345 -4.427 -10.149 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.051 -5.515 -8.618 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.734 -3.981 -9.403 1.00 0.00 H new ATOM 0 HG2 ARG A 91 3.967 -5.332 -11.441 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.202 -6.662 -10.594 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.525 -4.224 -11.042 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.933 -5.163 -12.464 1.00 0.00 H new ATOM 0 HE ARG A 91 1.035 -6.998 -10.496 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -0.203 -4.291 -12.403 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.858 -4.908 -12.414 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.092 -7.778 -10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.359 -6.872 -11.351 1.00 0.00 H new ATOM 1329 N ILE A 92 5.205 -2.965 -7.297 1.00 0.00 N ATOM 1330 CA ILE A 92 5.289 -1.682 -6.608 1.00 0.00 C ATOM 1331 C ILE A 92 6.741 -1.297 -6.344 1.00 0.00 C ATOM 1332 O ILE A 92 7.626 -2.153 -6.323 1.00 0.00 O ATOM 1333 CB ILE A 92 4.525 -1.711 -5.270 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.097 -2.219 -5.482 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.509 -0.327 -4.636 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.369 -2.532 -4.193 1.00 0.00 C ATOM 0 H ILE A 92 5.420 -3.773 -6.714 1.00 0.00 H new ATOM 0 HA ILE A 92 4.831 -0.940 -7.262 1.00 0.00 H new ATOM 0 HB ILE A 92 5.038 -2.394 -4.593 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.532 -1.469 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.127 -3.116 -6.100 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.965 -0.366 -3.692 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.532 0.001 -4.453 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.018 0.376 -5.309 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.364 -2.887 -4.420 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.911 -3.304 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.307 -1.631 -3.582 1.00 0.00 H new ATOM 1348 N GLN A 93 6.979 -0.005 -6.144 1.00 0.00 N ATOM 1349 CA GLN A 93 8.325 0.492 -5.882 1.00 0.00 C ATOM 1350 C GLN A 93 8.343 1.398 -4.655 1.00 0.00 C ATOM 1351 O GLN A 93 7.301 1.675 -4.061 1.00 0.00 O ATOM 1352 CB GLN A 93 8.855 1.252 -7.100 1.00 0.00 C ATOM 1353 CG GLN A 93 9.275 0.347 -8.247 1.00 0.00 C ATOM 1354 CD GLN A 93 8.791 0.847 -9.593 1.00 0.00 C ATOM 1355 OE1 GLN A 93 9.173 1.928 -10.041 1.00 0.00 O ATOM 1356 NE2 GLN A 93 7.942 0.062 -10.247 1.00 0.00 N ATOM 0 H GLN A 93 6.258 0.716 -6.158 1.00 0.00 H new ATOM 0 HA GLN A 93 8.970 -0.365 -5.687 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.085 1.938 -7.453 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.708 1.859 -6.796 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.362 0.268 -8.263 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.885 -0.656 -8.075 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.651 -0.826 -9.839 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.581 0.348 -11.157 1.00 0.00 H new ATOM 1365 N ARG A 94 9.533 1.857 -4.283 1.00 0.00 N ATOM 1366 CA ARG A 94 9.689 2.733 -3.127 1.00 0.00 C ATOM 1367 C ARG A 94 10.255 4.088 -3.543 1.00 0.00 C ATOM 1368 O ARG A 94 10.940 4.199 -4.559 1.00 0.00 O ATOM 1369 CB ARG A 94 10.602 2.080 -2.087 1.00 0.00 C ATOM 1370 CG ARG A 94 9.856 1.539 -0.877 1.00 0.00 C ATOM 1371 CD ARG A 94 10.163 2.343 0.378 1.00 0.00 C ATOM 1372 NE ARG A 94 10.297 1.490 1.555 1.00 0.00 N ATOM 1373 CZ ARG A 94 10.683 1.931 2.751 1.00 0.00 C ATOM 1374 NH1 ARG A 94 10.974 3.213 2.931 1.00 0.00 N ATOM 1375 NH2 ARG A 94 10.777 1.087 3.769 1.00 0.00 N ATOM 0 H ARG A 94 10.404 1.637 -4.765 1.00 0.00 H new ATOM 0 HA ARG A 94 8.705 2.892 -2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 94 11.152 1.266 -2.559 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.339 2.810 -1.753 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.784 1.561 -1.071 1.00 0.00 H new ATOM 0 HG3 ARG A 94 10.129 0.496 -0.717 1.00 0.00 H new ATOM 0 HD2 ARG A 94 11.085 2.906 0.231 1.00 0.00 H new ATOM 0 HD3 ARG A 94 9.369 3.070 0.546 1.00 0.00 H new ATOM 0 HE ARG A 94 10.082 0.498 1.456 1.00 0.00 H new ATOM 0 HH11 ARG A 94 10.903 3.867 2.151 1.00 0.00 H new ATOM 0 HH12 ARG A 94 11.269 3.545 3.849 1.00 0.00 H new ATOM 0 HH21 ARG A 94 10.554 0.101 3.636 1.00 0.00 H new ATOM 0 HH22 ARG A 94 11.073 1.424 4.685 1.00 0.00 H new ATOM 1389 N ILE A 95 9.962 5.114 -2.751 1.00 0.00 N ATOM 1390 CA ILE A 95 10.442 6.461 -3.036 1.00 0.00 C ATOM 1391 C ILE A 95 11.319 6.983 -1.902 1.00 0.00 C ATOM 1392 O ILE A 95 12.347 7.615 -2.140 1.00 0.00 O ATOM 1393 CB ILE A 95 9.273 7.440 -3.257 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.288 6.873 -4.284 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.794 8.796 -3.710 1.00 0.00 C ATOM 1396 CD1 ILE A 95 6.837 7.090 -3.912 1.00 0.00 C ATOM 0 H ILE A 95 9.395 5.038 -1.907 1.00 0.00 H new ATOM 0 HA ILE A 95 11.032 6.399 -3.950 1.00 0.00 H new ATOM 0 HB ILE A 95 8.748 7.571 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.479 7.335 -5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.470 5.804 -4.399 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.956 9.476 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.458 9.204 -2.948 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.342 8.681 -4.645 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.196 6.663 -4.683 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.629 6.605 -2.958 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.639 8.158 -3.826 1.00 0.00 H new