USER MOD reduce.3.24.130724 H: found=0, std=0, add=531, rem=0, adj=13 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 -97:sc= 0.0246 USER MOD Single : A 31 GLN : amide:sc=-0.00128 X(o=-0.0013,f=0) USER MOD Single : A 37 GLN :FLIP amide:sc= 0.796 F(o=0,f=0.8) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.58 X(o=-0.58,f=-0.68) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot -27:sc= 1.2 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.355 X(o=-0.35,f=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -154:sc= -0.0834 (180deg=-0.429) USER MOD Single : A 67 HIS : no HD1:sc= -0.391 K(o=-0.39,f=-2.2) USER MOD Single : A 70 SER OG : rot 36:sc= 0.0421 USER MOD Single : A 76 TYR OH : rot 59:sc= -0.312 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0195 USER MOD Single : A 79 CYS SG : rot -125:sc= -0.0957 USER MOD Single : A 83 HIS : no HE2:sc= -5.15! C(o=-5.1!,f=-5.1!) 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 8.043 -2.894 0.733 1.00 0.00 N ATOM 331 CA ALA A 26 7.601 -1.744 1.511 1.00 0.00 C ATOM 332 C ALA A 26 6.846 -2.184 2.761 1.00 0.00 C ATOM 333 O ALA A 26 6.595 -3.372 2.961 1.00 0.00 O ATOM 334 CB ALA A 26 6.729 -0.834 0.659 1.00 0.00 C ATOM 0 HA ALA A 26 8.485 -1.190 1.828 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.406 0.021 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.300 -0.483 -0.201 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.855 -1.387 0.313 1.00 0.00 H new ATOM 340 N GLU A 27 6.487 -1.217 3.600 1.00 0.00 N ATOM 341 CA GLU A 27 5.761 -1.506 4.831 1.00 0.00 C ATOM 342 C GLU A 27 4.588 -0.546 5.010 1.00 0.00 C ATOM 343 O GLU A 27 4.359 0.331 4.177 1.00 0.00 O ATOM 344 CB GLU A 27 6.698 -1.414 6.036 1.00 0.00 C ATOM 345 CG GLU A 27 7.992 -2.192 5.861 1.00 0.00 C ATOM 346 CD GLU A 27 9.072 -1.752 6.829 1.00 0.00 C ATOM 347 OE1 GLU A 27 9.827 -0.816 6.493 1.00 0.00 O ATOM 348 OE2 GLU A 27 9.164 -2.346 7.925 1.00 0.00 O ATOM 0 H GLU A 27 6.687 -0.228 3.450 1.00 0.00 H new ATOM 0 HA GLU A 27 5.370 -2.521 4.761 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.936 -0.367 6.222 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.178 -1.784 6.919 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.794 -3.255 6.001 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.352 -2.067 4.840 1.00 0.00 H new ATOM 355 N VAL A 28 3.849 -0.720 6.101 1.00 0.00 N ATOM 356 CA VAL A 28 2.700 0.130 6.389 1.00 0.00 C ATOM 357 C VAL A 28 3.143 1.502 6.884 1.00 0.00 C ATOM 358 O VAL A 28 3.369 1.699 8.079 1.00 0.00 O ATOM 359 CB VAL A 28 1.778 -0.510 7.442 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.491 0.290 7.583 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.478 -1.957 7.081 1.00 0.00 C ATOM 0 H VAL A 28 4.025 -1.442 6.800 1.00 0.00 H new ATOM 0 HA VAL A 28 2.148 0.244 5.456 1.00 0.00 H new ATOM 0 HB VAL A 28 2.292 -0.499 8.403 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -0.148 -0.178 8.332 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.727 1.308 7.893 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.029 0.314 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 28 0.825 -2.393 7.837 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.985 -1.995 6.110 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.409 -2.522 7.037 1.00 0.00 H new ATOM 371 N GLY A 29 3.266 2.450 5.960 1.00 0.00 N ATOM 372 CA GLY A 29 3.681 3.792 6.322 1.00 0.00 C ATOM 373 C GLY A 29 4.939 4.225 5.597 1.00 0.00 C ATOM 374 O GLY A 29 5.850 4.790 6.203 1.00 0.00 O ATOM 0 H GLY A 29 3.085 2.312 4.966 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.876 4.491 6.096 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.851 3.839 7.398 1.00 0.00 H new ATOM 378 N ASP A 30 4.991 3.961 4.296 1.00 0.00 N ATOM 379 CA ASP A 30 6.147 4.327 3.487 1.00 0.00 C ATOM 380 C ASP A 30 5.720 4.741 2.082 1.00 0.00 C ATOM 381 O ASP A 30 4.638 4.381 1.620 1.00 0.00 O ATOM 382 CB ASP A 30 7.132 3.157 3.408 1.00 0.00 C ATOM 383 CG ASP A 30 8.575 3.618 3.357 1.00 0.00 C ATOM 384 OD1 ASP A 30 9.103 4.031 4.411 1.00 0.00 O ATOM 385 OD2 ASP A 30 9.176 3.567 2.264 1.00 0.00 O ATOM 0 H ASP A 30 4.245 3.495 3.779 1.00 0.00 H new ATOM 0 HA ASP A 30 6.637 5.176 3.963 1.00 0.00 H new ATOM 0 HB2 ASP A 30 6.991 2.508 4.273 1.00 0.00 H new ATOM 0 HB3 ASP A 30 6.913 2.560 2.523 1.00 0.00 H new ATOM 390 N GLN A 31 6.577 5.503 1.409 1.00 0.00 N ATOM 391 CA GLN A 31 6.288 5.968 0.058 1.00 0.00 C ATOM 392 C GLN A 31 6.515 4.854 -0.959 1.00 0.00 C ATOM 393 O GLN A 31 7.590 4.255 -1.010 1.00 0.00 O ATOM 394 CB GLN A 31 7.159 7.179 -0.285 1.00 0.00 C ATOM 395 CG GLN A 31 6.362 8.401 -0.709 1.00 0.00 C ATOM 396 CD GLN A 31 7.129 9.694 -0.514 1.00 0.00 C ATOM 397 OE1 GLN A 31 7.549 10.332 -1.480 1.00 0.00 O ATOM 398 NE2 GLN A 31 7.319 10.088 0.740 1.00 0.00 N ATOM 0 H GLN A 31 7.477 5.811 1.778 1.00 0.00 H new ATOM 0 HA GLN A 31 5.240 6.263 0.017 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.768 7.435 0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.845 6.907 -1.087 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.084 8.303 -1.758 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.436 8.443 -0.136 1.00 0.00 H new ATOM 0 HE21 GLN A 31 6.954 9.529 1.511 1.00 0.00 H new ATOM 0 HE22 GLN A 31 7.830 10.950 0.932 1.00 0.00 H new ATOM 407 N VAL A 32 5.497 4.580 -1.768 1.00 0.00 N ATOM 408 CA VAL A 32 5.586 3.538 -2.784 1.00 0.00 C ATOM 409 C VAL A 32 5.151 4.061 -4.148 1.00 0.00 C ATOM 410 O VAL A 32 4.709 5.203 -4.275 1.00 0.00 O ATOM 411 CB VAL A 32 4.723 2.318 -2.415 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.316 1.583 -1.223 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.291 2.745 -2.128 1.00 0.00 C ATOM 0 H VAL A 32 4.600 5.065 -1.740 1.00 0.00 H new ATOM 0 HA VAL A 32 6.631 3.232 -2.832 1.00 0.00 H new ATOM 0 HB VAL A 32 4.712 1.634 -3.264 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.691 0.724 -0.978 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.322 1.242 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.361 2.255 -0.366 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.695 1.870 -1.869 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.281 3.450 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.869 3.222 -3.013 1.00 0.00 H new ATOM 423 N LEU A 33 5.278 3.218 -5.169 1.00 0.00 N ATOM 424 CA LEU A 33 4.897 3.594 -6.524 1.00 0.00 C ATOM 425 C LEU A 33 4.316 2.402 -7.277 1.00 0.00 C ATOM 426 O LEU A 33 5.050 1.535 -7.748 1.00 0.00 O ATOM 427 CB LEU A 33 6.106 4.150 -7.280 1.00 0.00 C ATOM 428 CG LEU A 33 5.784 4.819 -8.617 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.816 5.975 -8.415 1.00 0.00 C ATOM 430 CD2 LEU A 33 7.059 5.300 -9.292 1.00 0.00 C ATOM 0 H LEU A 33 5.642 2.269 -5.082 1.00 0.00 H new ATOM 0 HA LEU A 33 4.131 4.367 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.612 4.874 -6.642 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.809 3.336 -7.459 1.00 0.00 H new ATOM 0 HG LEU A 33 5.309 4.083 -9.266 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.598 6.439 -9.377 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.891 5.603 -7.974 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.264 6.713 -7.749 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.811 5.773 -10.242 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.562 6.021 -8.648 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.719 4.451 -9.471 1.00 0.00 H new ATOM 442 N VAL A 34 2.992 2.366 -7.386 1.00 0.00 N ATOM 443 CA VAL A 34 2.311 1.280 -8.081 1.00 0.00 C ATOM 444 C VAL A 34 2.570 1.339 -9.582 1.00 0.00 C ATOM 445 O VAL A 34 2.289 2.347 -10.232 1.00 0.00 O ATOM 446 CB VAL A 34 0.791 1.317 -7.832 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.127 0.071 -8.395 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.497 1.463 -6.347 1.00 0.00 C ATOM 0 H VAL A 34 2.369 3.077 -7.002 1.00 0.00 H new ATOM 0 HA VAL A 34 2.714 0.349 -7.682 1.00 0.00 H new ATOM 0 HB VAL A 34 0.378 2.184 -8.347 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.946 0.115 -8.210 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.308 0.016 -9.468 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.543 -0.813 -7.911 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.581 1.487 -6.190 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.923 0.618 -5.807 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.938 2.389 -5.978 1.00 0.00 H new ATOM 458 N ALA A 35 3.108 0.252 -10.128 1.00 0.00 N ATOM 459 CA ALA A 35 3.405 0.179 -11.553 1.00 0.00 C ATOM 460 C ALA A 35 4.361 1.290 -11.977 1.00 0.00 C ATOM 461 O ALA A 35 4.373 1.702 -13.137 1.00 0.00 O ATOM 462 CB ALA A 35 2.120 0.250 -12.363 1.00 0.00 C ATOM 0 H ALA A 35 3.347 -0.590 -9.604 1.00 0.00 H new ATOM 0 HA ALA A 35 3.894 -0.776 -11.747 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.356 0.194 -13.426 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.472 -0.583 -12.091 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.609 1.190 -12.154 1.00 0.00 H new ATOM 468 N GLY A 36 5.161 1.773 -11.030 1.00 0.00 N ATOM 469 CA GLY A 36 6.108 2.832 -11.328 1.00 0.00 C ATOM 470 C GLY A 36 5.443 4.061 -11.916 1.00 0.00 C ATOM 471 O GLY A 36 6.033 4.759 -12.741 1.00 0.00 O ATOM 0 H GLY A 36 5.170 1.450 -10.063 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.635 3.110 -10.415 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.856 2.459 -12.027 1.00 0.00 H new ATOM 475 N GLN A 37 4.212 4.326 -11.492 1.00 0.00 N ATOM 476 CA GLN A 37 3.467 5.480 -11.984 1.00 0.00 C ATOM 477 C GLN A 37 2.632 6.105 -10.872 1.00 0.00 C ATOM 478 O GLN A 37 2.966 7.171 -10.355 1.00 0.00 O ATOM 479 CB GLN A 37 2.562 5.070 -13.148 1.00 0.00 C ATOM 480 CG GLN A 37 3.317 4.795 -14.437 1.00 0.00 C ATOM 481 CD GLN A 37 2.599 3.805 -15.333 1.00 0.00 C ATOM 482 OE1 GLN A 37 2.129 4.278 -16.481 1.00 0.00 O flip ATOM 483 NE2 GLN A 37 2.470 2.627 -14.998 1.00 0.00 N flip ATOM 0 H GLN A 37 3.709 3.758 -10.810 1.00 0.00 H new ATOM 0 HA GLN A 37 4.185 6.222 -12.334 1.00 0.00 H new ATOM 0 HB2 GLN A 37 2.004 4.177 -12.866 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.832 5.860 -13.326 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.460 5.731 -14.977 1.00 0.00 H new ATOM 0 HG3 GLN A 37 4.309 4.410 -14.198 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.847 2.306 -14.106 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.986 1.972 -15.612 1.00 0.00 H new ATOM 492 N LYS A 38 1.545 5.434 -10.507 1.00 0.00 N ATOM 493 CA LYS A 38 0.660 5.924 -9.455 1.00 0.00 C ATOM 494 C LYS A 38 1.380 5.962 -8.112 1.00 0.00 C ATOM 495 O LYS A 38 1.675 4.921 -7.525 1.00 0.00 O ATOM 496 CB LYS A 38 -0.585 5.041 -9.355 1.00 0.00 C ATOM 497 CG LYS A 38 -1.441 5.052 -10.612 1.00 0.00 C ATOM 498 CD LYS A 38 -2.486 3.948 -10.584 1.00 0.00 C ATOM 499 CE LYS A 38 -2.598 3.248 -11.930 1.00 0.00 C ATOM 500 NZ LYS A 38 -2.248 1.804 -11.838 1.00 0.00 N ATOM 0 H LYS A 38 1.255 4.549 -10.924 1.00 0.00 H new ATOM 0 HA LYS A 38 0.357 6.939 -9.713 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.278 4.017 -9.143 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.189 5.373 -8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.934 6.019 -10.709 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -0.804 4.930 -11.488 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.226 3.220 -9.815 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.454 4.369 -10.311 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.615 3.351 -12.309 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.939 3.736 -12.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.337 1.365 -12.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.269 1.705 -11.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -2.893 1.332 -11.172 1.00 0.00 H new ATOM 514 N GLN A 39 1.660 7.168 -7.629 1.00 0.00 N ATOM 515 CA GLN A 39 2.345 7.342 -6.355 1.00 0.00 C ATOM 516 C GLN A 39 1.354 7.314 -5.196 1.00 0.00 C ATOM 517 O GLN A 39 0.347 8.020 -5.210 1.00 0.00 O ATOM 518 CB GLN A 39 3.122 8.660 -6.344 1.00 0.00 C ATOM 519 CG GLN A 39 4.120 8.770 -5.202 1.00 0.00 C ATOM 520 CD GLN A 39 3.559 9.520 -4.010 1.00 0.00 C ATOM 521 OE1 GLN A 39 2.893 10.543 -4.163 1.00 0.00 O ATOM 522 NE2 GLN A 39 3.828 9.013 -2.813 1.00 0.00 N ATOM 0 H GLN A 39 1.422 8.040 -8.102 1.00 0.00 H new ATOM 0 HA GLN A 39 3.044 6.515 -6.232 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.652 8.767 -7.290 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.416 9.488 -6.279 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.421 7.770 -4.889 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.018 9.277 -5.556 1.00 0.00 H new ATOM 0 HE21 GLN A 39 4.385 8.162 -2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 39 3.478 9.474 -1.973 1.00 0.00 H new ATOM 531 N GLY A 40 1.648 6.491 -4.193 1.00 0.00 N ATOM 532 CA GLY A 40 0.773 6.386 -3.041 1.00 0.00 C ATOM 533 C GLY A 40 1.498 5.893 -1.804 1.00 0.00 C ATOM 534 O GLY A 40 2.706 5.661 -1.837 1.00 0.00 O ATOM 0 H GLY A 40 2.476 5.896 -4.159 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.331 7.361 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.047 5.706 -3.273 1.00 0.00 H new ATOM 538 N ILE A 41 0.758 5.732 -0.711 1.00 0.00 N ATOM 539 CA ILE A 41 1.338 5.264 0.541 1.00 0.00 C ATOM 540 C ILE A 41 0.635 4.004 1.035 1.00 0.00 C ATOM 541 O ILE A 41 -0.590 3.901 0.971 1.00 0.00 O ATOM 542 CB ILE A 41 1.259 6.344 1.636 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.773 7.681 1.102 1.00 0.00 C ATOM 544 CG2 ILE A 41 2.052 5.915 2.861 1.00 0.00 C ATOM 545 CD1 ILE A 41 3.229 7.648 0.691 1.00 0.00 C ATOM 0 H ILE A 41 -0.244 5.919 -0.668 1.00 0.00 H new ATOM 0 HA ILE A 41 2.385 5.038 0.339 1.00 0.00 H new ATOM 0 HB ILE A 41 0.216 6.469 1.928 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.168 7.977 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.637 8.445 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.987 6.689 3.626 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.643 4.983 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.096 5.765 2.585 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.525 8.630 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.844 7.383 1.551 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.368 6.908 -0.097 1.00 0.00 H new ATOM 557 N VAL A 42 1.417 3.049 1.526 1.00 0.00 N ATOM 558 CA VAL A 42 0.868 1.796 2.031 1.00 0.00 C ATOM 559 C VAL A 42 -0.041 2.039 3.231 1.00 0.00 C ATOM 560 O VAL A 42 0.386 2.590 4.246 1.00 0.00 O ATOM 561 CB VAL A 42 1.986 0.815 2.438 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.401 -0.539 2.809 1.00 0.00 C ATOM 563 CG2 VAL A 42 3.008 0.674 1.319 1.00 0.00 C ATOM 0 H VAL A 42 2.433 3.119 1.585 1.00 0.00 H new ATOM 0 HA VAL A 42 0.287 1.356 1.221 1.00 0.00 H new ATOM 0 HB VAL A 42 2.494 1.217 3.314 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.205 -1.217 3.093 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.713 -0.421 3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.865 -0.950 1.954 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.789 -0.022 1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.516 0.296 0.423 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.452 1.647 1.107 1.00 0.00 H new ATOM 573 N ARG A 43 -1.298 1.625 3.107 1.00 0.00 N ATOM 574 CA ARG A 43 -2.269 1.798 4.182 1.00 0.00 C ATOM 575 C ARG A 43 -2.580 0.466 4.854 1.00 0.00 C ATOM 576 O ARG A 43 -2.821 0.408 6.061 1.00 0.00 O ATOM 577 CB ARG A 43 -3.557 2.421 3.639 1.00 0.00 C ATOM 578 CG ARG A 43 -3.433 3.904 3.331 1.00 0.00 C ATOM 579 CD ARG A 43 -3.450 4.743 4.600 1.00 0.00 C ATOM 580 NE ARG A 43 -4.418 5.833 4.522 1.00 0.00 N ATOM 581 CZ ARG A 43 -4.880 6.492 5.584 1.00 0.00 C ATOM 582 NH1 ARG A 43 -4.464 6.173 6.803 1.00 0.00 N ATOM 583 NH2 ARG A 43 -5.761 7.471 5.425 1.00 0.00 N ATOM 0 H ARG A 43 -1.668 1.168 2.274 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.835 2.467 4.925 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.851 1.893 2.732 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.356 2.275 4.366 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.507 4.087 2.786 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.252 4.211 2.680 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -3.689 4.107 5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -2.456 5.153 4.777 1.00 0.00 H new ATOM 0 HE ARG A 43 -4.761 6.106 3.601 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -3.788 5.420 6.930 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -4.821 6.681 7.613 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.085 7.719 4.490 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -6.115 7.976 6.238 1.00 0.00 H new ATOM 597 N PHE A 44 -2.573 -0.605 4.067 1.00 0.00 N ATOM 598 CA PHE A 44 -2.855 -1.938 4.586 1.00 0.00 C ATOM 599 C PHE A 44 -2.019 -2.991 3.865 1.00 0.00 C ATOM 600 O PHE A 44 -2.165 -3.197 2.660 1.00 0.00 O ATOM 601 CB PHE A 44 -4.342 -2.263 4.437 1.00 0.00 C ATOM 602 CG PHE A 44 -4.729 -3.592 5.019 1.00 0.00 C ATOM 603 CD1 PHE A 44 -4.450 -4.768 4.342 1.00 0.00 C ATOM 604 CD2 PHE A 44 -5.372 -3.665 6.244 1.00 0.00 C ATOM 605 CE1 PHE A 44 -4.804 -5.993 4.875 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.730 -4.887 6.783 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.446 -6.052 6.098 1.00 0.00 C ATOM 0 H PHE A 44 -2.375 -0.575 3.067 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.591 -1.951 5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.926 -1.480 4.920 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.604 -2.249 3.379 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.950 -4.727 3.386 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -5.596 -2.757 6.784 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.580 -6.902 4.337 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -6.231 -4.930 7.739 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.725 -7.008 6.517 1.00 0.00 H new ATOM 617 N TYR A 45 -1.141 -3.655 4.611 1.00 0.00 N ATOM 618 CA TYR A 45 -0.281 -4.687 4.042 1.00 0.00 C ATOM 619 C TYR A 45 -0.672 -6.068 4.560 1.00 0.00 C ATOM 620 O TYR A 45 -0.765 -6.286 5.769 1.00 0.00 O ATOM 621 CB TYR A 45 1.184 -4.402 4.377 1.00 0.00 C ATOM 622 CG TYR A 45 2.148 -5.408 3.790 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.999 -5.862 2.485 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.206 -5.904 4.541 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.878 -6.782 1.945 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.090 -6.825 4.007 1.00 0.00 C ATOM 627 CZ TYR A 45 3.920 -7.260 2.711 1.00 0.00 C ATOM 628 OH TYR A 45 4.798 -8.176 2.177 1.00 0.00 O ATOM 0 H TYR A 45 -1.007 -3.497 5.610 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.409 -4.674 2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.444 -3.408 4.013 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.304 -4.387 5.460 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.183 -5.490 1.883 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.341 -5.566 5.558 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.749 -7.124 0.929 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.909 -7.201 4.603 1.00 0.00 H new ATOM 0 HH TYR A 45 5.474 -8.410 2.847 1.00 0.00 H new ATOM 638 N GLY A 46 -0.902 -6.997 3.638 1.00 0.00 N ATOM 639 CA GLY A 46 -1.280 -8.344 4.020 1.00 0.00 C ATOM 640 C GLY A 46 -1.801 -9.155 2.850 1.00 0.00 C ATOM 641 O GLY A 46 -1.565 -8.809 1.692 1.00 0.00 O ATOM 0 H GLY A 46 -0.833 -6.840 2.632 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.418 -8.851 4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.045 -8.297 4.795 1.00 0.00 H new ATOM 645 N LYS A 47 -2.513 -10.237 3.151 1.00 0.00 N ATOM 646 CA LYS A 47 -3.068 -11.099 2.115 1.00 0.00 C ATOM 647 C LYS A 47 -4.526 -10.745 1.838 1.00 0.00 C ATOM 648 O LYS A 47 -5.201 -10.150 2.678 1.00 0.00 O ATOM 649 CB LYS A 47 -2.957 -12.567 2.529 1.00 0.00 C ATOM 650 CG LYS A 47 -1.604 -12.936 3.112 1.00 0.00 C ATOM 651 CD LYS A 47 -1.593 -14.363 3.635 1.00 0.00 C ATOM 652 CE LYS A 47 -0.497 -14.570 4.667 1.00 0.00 C ATOM 653 NZ LYS A 47 -0.717 -15.802 5.473 1.00 0.00 N ATOM 0 H LYS A 47 -2.719 -10.537 4.104 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.494 -10.943 1.201 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.732 -12.788 3.263 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.152 -13.196 1.661 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.834 -12.821 2.349 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.356 -12.249 3.921 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.561 -14.596 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.448 -15.055 2.805 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.468 -14.633 4.164 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.455 -13.706 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.052 -15.906 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -1.626 -15.732 5.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.732 -16.630 4.844 1.00 0.00 H new ATOM 667 N THR A 48 -5.005 -11.117 0.655 1.00 0.00 N ATOM 668 CA THR A 48 -6.383 -10.841 0.268 1.00 0.00 C ATOM 669 C THR A 48 -7.130 -12.135 -0.040 1.00 0.00 C ATOM 670 O THR A 48 -6.524 -13.200 -0.160 1.00 0.00 O ATOM 671 CB THR A 48 -6.417 -9.916 -0.949 1.00 0.00 C ATOM 672 OG1 THR A 48 -5.982 -10.599 -2.111 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.553 -8.685 -0.790 1.00 0.00 C ATOM 0 H THR A 48 -4.459 -11.610 -0.052 1.00 0.00 H new ATOM 0 HA THR A 48 -6.878 -10.347 1.104 1.00 0.00 H new ATOM 0 HB THR A 48 -7.456 -9.601 -1.042 1.00 0.00 H new ATOM 0 HG1 THR A 48 -5.373 -11.323 -1.856 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.623 -8.073 -1.689 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.896 -8.109 0.069 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.517 -8.985 -0.636 1.00 0.00 H new ATOM 681 N ASP A 49 -8.449 -12.035 -0.168 1.00 0.00 N ATOM 682 CA ASP A 49 -9.279 -13.198 -0.463 1.00 0.00 C ATOM 683 C ASP A 49 -9.470 -13.365 -1.967 1.00 0.00 C ATOM 684 O ASP A 49 -9.647 -14.479 -2.460 1.00 0.00 O ATOM 685 CB ASP A 49 -10.638 -13.067 0.227 1.00 0.00 C ATOM 686 CG ASP A 49 -11.063 -14.351 0.913 1.00 0.00 C ATOM 687 OD1 ASP A 49 -11.581 -15.252 0.221 1.00 0.00 O ATOM 688 OD2 ASP A 49 -10.878 -14.456 2.144 1.00 0.00 O ATOM 0 H ASP A 49 -8.966 -11.161 -0.072 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.770 -14.083 -0.082 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.594 -12.263 0.962 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.391 -12.785 -0.509 1.00 0.00 H new ATOM 693 N PHE A 50 -9.435 -12.251 -2.692 1.00 0.00 N ATOM 694 CA PHE A 50 -9.606 -12.276 -4.140 1.00 0.00 C ATOM 695 C PHE A 50 -8.351 -12.799 -4.831 1.00 0.00 C ATOM 696 O PHE A 50 -8.430 -13.441 -5.878 1.00 0.00 O ATOM 697 CB PHE A 50 -9.942 -10.876 -4.658 1.00 0.00 C ATOM 698 CG PHE A 50 -8.891 -9.850 -4.344 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.757 -9.738 -5.131 1.00 0.00 C ATOM 700 CD2 PHE A 50 -9.039 -8.997 -3.262 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.788 -8.794 -4.844 1.00 0.00 C ATOM 702 CE2 PHE A 50 -8.074 -8.052 -2.970 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.948 -7.950 -3.762 1.00 0.00 C ATOM 0 H PHE A 50 -9.290 -11.320 -2.300 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.431 -12.950 -4.370 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -10.082 -10.921 -5.738 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.890 -10.556 -4.227 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.628 -10.395 -5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.919 -9.072 -2.640 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.908 -8.717 -5.465 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.201 -7.394 -2.123 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.193 -7.211 -3.536 1.00 0.00 H new ATOM 713 N ALA A 51 -7.193 -12.521 -4.239 1.00 0.00 N ATOM 714 CA ALA A 51 -5.924 -12.965 -4.802 1.00 0.00 C ATOM 715 C ALA A 51 -4.953 -13.390 -3.703 1.00 0.00 C ATOM 716 O ALA A 51 -4.916 -12.788 -2.630 1.00 0.00 O ATOM 717 CB ALA A 51 -5.312 -11.863 -5.653 1.00 0.00 C ATOM 0 H ALA A 51 -7.108 -11.991 -3.371 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.118 -13.832 -5.433 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.365 -12.207 -6.068 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -5.993 -11.610 -6.465 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.139 -10.981 -5.037 1.00 0.00 H new ATOM 723 N PRO A 52 -4.149 -14.439 -3.956 1.00 0.00 N ATOM 724 CA PRO A 52 -3.177 -14.942 -2.984 1.00 0.00 C ATOM 725 C PRO A 52 -1.927 -14.069 -2.909 1.00 0.00 C ATOM 726 O PRO A 52 -1.898 -12.961 -3.444 1.00 0.00 O ATOM 727 CB PRO A 52 -2.830 -16.326 -3.528 1.00 0.00 C ATOM 728 CG PRO A 52 -3.005 -16.201 -5.002 1.00 0.00 C ATOM 729 CD PRO A 52 -4.127 -15.218 -5.211 1.00 0.00 C ATOM 0 HA PRO A 52 -3.576 -14.952 -1.970 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -1.809 -16.609 -3.272 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.486 -17.091 -3.114 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.087 -15.850 -5.474 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.245 -17.166 -5.449 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.944 -14.580 -6.075 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.076 -15.725 -5.384 1.00 0.00 H new ATOM 737 N GLY A 53 -0.895 -14.578 -2.242 1.00 0.00 N ATOM 738 CA GLY A 53 0.343 -13.833 -2.111 1.00 0.00 C ATOM 739 C GLY A 53 0.208 -12.640 -1.184 1.00 0.00 C ATOM 740 O GLY A 53 -0.653 -12.623 -0.304 1.00 0.00 O ATOM 0 H GLY A 53 -0.895 -15.493 -1.790 1.00 0.00 H new ATOM 0 HA2 GLY A 53 1.123 -14.495 -1.735 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.663 -13.490 -3.095 1.00 0.00 H new ATOM 744 N TYR A 54 1.063 -11.641 -1.381 1.00 0.00 N ATOM 745 CA TYR A 54 1.037 -10.439 -0.557 1.00 0.00 C ATOM 746 C TYR A 54 0.757 -9.203 -1.406 1.00 0.00 C ATOM 747 O TYR A 54 1.458 -8.937 -2.382 1.00 0.00 O ATOM 748 CB TYR A 54 2.366 -10.273 0.182 1.00 0.00 C ATOM 749 CG TYR A 54 2.490 -11.145 1.411 1.00 0.00 C ATOM 750 CD1 TYR A 54 1.865 -10.793 2.601 1.00 0.00 C ATOM 751 CD2 TYR A 54 3.231 -12.320 1.382 1.00 0.00 C ATOM 752 CE1 TYR A 54 1.976 -11.587 3.727 1.00 0.00 C ATOM 753 CE2 TYR A 54 3.346 -13.119 2.503 1.00 0.00 C ATOM 754 CZ TYR A 54 2.717 -12.748 3.673 1.00 0.00 C ATOM 755 OH TYR A 54 2.830 -13.542 4.792 1.00 0.00 O ATOM 0 H TYR A 54 1.782 -11.641 -2.104 1.00 0.00 H new ATOM 0 HA TYR A 54 0.234 -10.546 0.172 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.183 -10.505 -0.501 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.481 -9.229 0.474 1.00 0.00 H new ATOM 0 HD1 TYR A 54 1.283 -9.884 2.647 1.00 0.00 H new ATOM 0 HD2 TYR A 54 3.725 -12.614 0.468 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.485 -11.299 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.925 -14.030 2.463 1.00 0.00 H new ATOM 0 HH TYR A 54 3.385 -14.323 4.585 1.00 0.00 H new ATOM 765 N TRP A 55 -0.272 -8.452 -1.027 1.00 0.00 N ATOM 766 CA TRP A 55 -0.644 -7.243 -1.754 1.00 0.00 C ATOM 767 C TRP A 55 -0.507 -6.011 -0.867 1.00 0.00 C ATOM 768 O TRP A 55 -0.332 -6.124 0.347 1.00 0.00 O ATOM 769 CB TRP A 55 -2.079 -7.356 -2.272 1.00 0.00 C ATOM 770 CG TRP A 55 -2.272 -8.479 -3.245 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.358 -9.811 -2.953 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.403 -8.371 -4.667 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.534 -10.536 -4.106 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.566 -9.675 -5.171 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.401 -7.297 -5.562 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.724 -9.933 -6.531 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.557 -7.555 -6.911 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.717 -8.863 -7.384 1.00 0.00 C ATOM 0 H TRP A 55 -0.863 -8.659 -0.222 1.00 0.00 H new ATOM 0 HA TRP A 55 0.034 -7.135 -2.601 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.753 -7.497 -1.427 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.360 -6.418 -2.750 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.297 -10.232 -1.960 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.626 -11.550 -4.160 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.280 -6.285 -5.206 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.848 -10.941 -6.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.555 -6.734 -7.612 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.837 -9.031 -8.444 1.00 0.00 H new ATOM 789 N TYR A 56 -0.588 -4.834 -1.479 1.00 0.00 N ATOM 790 CA TYR A 56 -0.472 -3.580 -0.745 1.00 0.00 C ATOM 791 C TYR A 56 -1.686 -2.691 -0.990 1.00 0.00 C ATOM 792 O TYR A 56 -1.967 -2.305 -2.125 1.00 0.00 O ATOM 793 CB TYR A 56 0.805 -2.843 -1.152 1.00 0.00 C ATOM 794 CG TYR A 56 2.070 -3.619 -0.865 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.346 -4.805 -1.533 1.00 0.00 C ATOM 796 CD2 TYR A 56 2.987 -3.166 0.074 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.502 -5.518 -1.273 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.145 -3.872 0.340 1.00 0.00 C ATOM 799 CZ TYR A 56 4.397 -5.048 -0.336 1.00 0.00 C ATOM 800 OH TYR A 56 5.549 -5.754 -0.075 1.00 0.00 O ATOM 0 H TYR A 56 -0.734 -4.723 -2.482 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.425 -3.814 0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.761 -2.618 -2.218 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.847 -1.889 -0.626 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.647 -5.176 -2.267 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.792 -2.246 0.606 1.00 0.00 H new ATOM 0 HE1 TYR A 56 3.703 -6.438 -1.801 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.849 -3.505 1.073 1.00 0.00 H new ATOM 0 HH TYR A 56 5.414 -6.320 0.713 1.00 0.00 H new ATOM 810 N GLY A 57 -2.404 -2.369 0.081 1.00 0.00 N ATOM 811 CA GLY A 57 -3.579 -1.527 -0.039 1.00 0.00 C ATOM 812 C GLY A 57 -3.238 -0.050 -0.039 1.00 0.00 C ATOM 813 O GLY A 57 -3.652 0.691 0.852 1.00 0.00 O ATOM 0 H GLY A 57 -2.193 -2.677 1.030 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.107 -1.775 -0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.260 -1.739 0.785 1.00 0.00 H new ATOM 817 N ILE A 58 -2.478 0.378 -1.042 1.00 0.00 N ATOM 818 CA ILE A 58 -2.080 1.777 -1.156 1.00 0.00 C ATOM 819 C ILE A 58 -3.278 2.662 -1.478 1.00 0.00 C ATOM 820 O ILE A 58 -4.168 2.270 -2.232 1.00 0.00 O ATOM 821 CB ILE A 58 -1.004 1.970 -2.242 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.151 0.991 -2.030 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.496 3.405 -2.237 1.00 0.00 C ATOM 824 CD1 ILE A 58 0.784 0.514 -3.319 1.00 0.00 C ATOM 0 H ILE A 58 -2.126 -0.223 -1.787 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.665 2.068 -0.191 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.453 1.767 -3.214 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.914 1.469 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.213 0.128 -1.472 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.263 3.525 -3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.325 4.085 -2.434 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -0.062 3.634 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.596 -0.177 -3.092 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.035 0.007 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.178 1.369 -3.869 1.00 0.00 H new ATOM 836 N GLU A 59 -3.296 3.860 -0.900 1.00 0.00 N ATOM 837 CA GLU A 59 -4.385 4.803 -1.126 1.00 0.00 C ATOM 838 C GLU A 59 -3.919 5.979 -1.977 1.00 0.00 C ATOM 839 O GLU A 59 -3.137 6.814 -1.525 1.00 0.00 O ATOM 840 CB GLU A 59 -4.933 5.309 0.210 1.00 0.00 C ATOM 841 CG GLU A 59 -6.182 6.164 0.070 1.00 0.00 C ATOM 842 CD GLU A 59 -5.910 7.637 0.303 1.00 0.00 C ATOM 843 OE1 GLU A 59 -5.144 7.958 1.236 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.461 8.469 -0.447 1.00 0.00 O ATOM 0 H GLU A 59 -2.568 4.200 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.178 4.283 -1.663 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.157 4.454 0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.160 5.889 0.714 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.600 6.029 -0.928 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.934 5.821 0.780 1.00 0.00 H new ATOM 851 N LEU A 60 -4.405 6.037 -3.212 1.00 0.00 N ATOM 852 CA LEU A 60 -4.039 7.110 -4.129 1.00 0.00 C ATOM 853 C LEU A 60 -4.623 8.443 -3.667 1.00 0.00 C ATOM 854 O LEU A 60 -5.358 8.501 -2.681 1.00 0.00 O ATOM 855 CB LEU A 60 -4.525 6.791 -5.543 1.00 0.00 C ATOM 856 CG LEU A 60 -3.944 5.514 -6.154 1.00 0.00 C ATOM 857 CD1 LEU A 60 -4.472 5.309 -7.565 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.424 5.568 -6.153 1.00 0.00 C ATOM 0 H LEU A 60 -5.054 5.353 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.952 7.192 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.612 6.706 -5.527 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.280 7.631 -6.193 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.258 4.666 -5.545 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.048 4.396 -7.983 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.558 5.225 -7.538 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -4.189 6.158 -8.186 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.027 4.652 -6.591 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.090 6.425 -6.739 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.064 5.666 -5.129 1.00 0.00 H new ATOM 870 N ASP A 61 -4.291 9.509 -4.387 1.00 0.00 N ATOM 871 CA ASP A 61 -4.781 10.841 -4.051 1.00 0.00 C ATOM 872 C ASP A 61 -5.939 11.240 -4.960 1.00 0.00 C ATOM 873 O ASP A 61 -6.845 11.963 -4.548 1.00 0.00 O ATOM 874 CB ASP A 61 -3.652 11.866 -4.164 1.00 0.00 C ATOM 875 CG ASP A 61 -2.861 11.998 -2.878 1.00 0.00 C ATOM 876 OD1 ASP A 61 -2.420 10.959 -2.343 1.00 0.00 O ATOM 877 OD2 ASP A 61 -2.679 13.142 -2.407 1.00 0.00 O ATOM 0 H ASP A 61 -3.685 9.477 -5.207 1.00 0.00 H new ATOM 0 HA ASP A 61 -5.141 10.820 -3.022 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.981 11.576 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.071 12.836 -4.431 1.00 0.00 H new ATOM 882 N GLN A 62 -5.902 10.762 -6.200 1.00 0.00 N ATOM 883 CA GLN A 62 -6.947 11.068 -7.170 1.00 0.00 C ATOM 884 C GLN A 62 -7.907 9.891 -7.327 1.00 0.00 C ATOM 885 O GLN A 62 -7.592 8.766 -6.940 1.00 0.00 O ATOM 886 CB GLN A 62 -6.329 11.421 -8.523 1.00 0.00 C ATOM 887 CG GLN A 62 -5.918 12.880 -8.641 1.00 0.00 C ATOM 888 CD GLN A 62 -6.000 13.394 -10.065 1.00 0.00 C ATOM 889 OE1 GLN A 62 -4.980 13.609 -10.719 1.00 0.00 O ATOM 890 NE2 GLN A 62 -7.219 13.594 -10.554 1.00 0.00 N ATOM 0 H GLN A 62 -5.159 10.161 -6.557 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.510 11.925 -6.801 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.455 10.791 -8.690 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -7.044 11.189 -9.312 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -6.559 13.487 -8.002 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.898 12.998 -8.274 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -8.038 13.403 -9.977 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -7.336 13.939 -11.507 1.00 0.00 H new ATOM 899 N PRO A 63 -9.098 10.139 -7.899 1.00 0.00 N ATOM 900 CA PRO A 63 -10.106 9.099 -8.107 1.00 0.00 C ATOM 901 C PRO A 63 -9.810 8.236 -9.330 1.00 0.00 C ATOM 902 O PRO A 63 -10.622 8.147 -10.251 1.00 0.00 O ATOM 903 CB PRO A 63 -11.386 9.904 -8.313 1.00 0.00 C ATOM 904 CG PRO A 63 -10.931 11.175 -8.941 1.00 0.00 C ATOM 905 CD PRO A 63 -9.556 11.455 -8.387 1.00 0.00 C ATOM 0 HA PRO A 63 -10.152 8.395 -7.276 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -12.089 9.374 -8.955 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.895 10.089 -7.367 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -10.901 11.083 -10.027 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.617 11.990 -8.709 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.889 11.852 -9.153 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.591 12.190 -7.583 1.00 0.00 H new ATOM 913 N THR A 64 -8.641 7.604 -9.332 1.00 0.00 N ATOM 914 CA THR A 64 -8.239 6.748 -10.443 1.00 0.00 C ATOM 915 C THR A 64 -7.683 5.422 -9.936 1.00 0.00 C ATOM 916 O THR A 64 -6.797 4.831 -10.554 1.00 0.00 O ATOM 917 CB THR A 64 -7.194 7.456 -11.307 1.00 0.00 C ATOM 918 OG1 THR A 64 -5.943 7.503 -10.643 1.00 0.00 O ATOM 919 CG2 THR A 64 -7.576 8.876 -11.666 1.00 0.00 C ATOM 0 H THR A 64 -7.956 7.668 -8.579 1.00 0.00 H new ATOM 0 HA THR A 64 -9.122 6.542 -11.048 1.00 0.00 H new ATOM 0 HB THR A 64 -7.133 6.870 -12.224 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.288 7.958 -11.212 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.792 9.320 -12.279 1.00 0.00 H new ATOM 0 HG22 THR A 64 -8.513 8.871 -12.223 1.00 0.00 H new ATOM 0 HG23 THR A 64 -7.699 9.461 -10.755 1.00 0.00 H new ATOM 927 N GLY A 65 -8.208 4.959 -8.806 1.00 0.00 N ATOM 928 CA GLY A 65 -7.752 3.705 -8.235 1.00 0.00 C ATOM 929 C GLY A 65 -8.408 2.502 -8.882 1.00 0.00 C ATOM 930 O GLY A 65 -8.239 2.261 -10.078 1.00 0.00 O ATOM 0 H GLY A 65 -8.941 5.430 -8.276 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.670 3.630 -8.348 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.962 3.698 -7.165 1.00 0.00 H new ATOM 934 N LYS A 66 -9.161 1.743 -8.091 1.00 0.00 N ATOM 935 CA LYS A 66 -9.847 0.559 -8.593 1.00 0.00 C ATOM 936 C LYS A 66 -11.066 0.232 -7.736 1.00 0.00 C ATOM 937 O LYS A 66 -12.157 -0.004 -8.254 1.00 0.00 O ATOM 938 CB LYS A 66 -8.890 -0.636 -8.625 1.00 0.00 C ATOM 939 CG LYS A 66 -8.768 -1.279 -9.997 1.00 0.00 C ATOM 940 CD LYS A 66 -8.153 -2.666 -9.909 1.00 0.00 C ATOM 941 CE LYS A 66 -6.663 -2.636 -10.208 1.00 0.00 C ATOM 942 NZ LYS A 66 -6.388 -2.264 -11.624 1.00 0.00 N ATOM 0 H LYS A 66 -9.311 1.928 -7.099 1.00 0.00 H new ATOM 0 HA LYS A 66 -10.187 0.768 -9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.903 -0.310 -8.296 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.232 -1.385 -7.911 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -9.754 -1.345 -10.458 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -8.156 -0.649 -10.642 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.317 -3.075 -8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.653 -3.332 -10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.174 -1.923 -9.544 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.231 -3.615 -9.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.473 -2.662 -11.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.140 -2.642 -12.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -6.359 -1.228 -11.711 1.00 0.00 H new ATOM 956 N HIS A 67 -10.872 0.222 -6.420 1.00 0.00 N ATOM 957 CA HIS A 67 -11.955 -0.074 -5.490 1.00 0.00 C ATOM 958 C HIS A 67 -12.079 1.021 -4.437 1.00 0.00 C ATOM 959 O HIS A 67 -11.213 1.889 -4.324 1.00 0.00 O ATOM 960 CB HIS A 67 -11.720 -1.425 -4.812 1.00 0.00 C ATOM 961 CG HIS A 67 -10.366 -1.554 -4.186 1.00 0.00 C ATOM 962 ND1 HIS A 67 -10.143 -1.529 -2.827 1.00 0.00 N ATOM 963 CD2 HIS A 67 -9.148 -1.714 -4.763 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.826 -1.670 -2.624 1.00 0.00 C ATOM 965 NE2 HIS A 67 -8.177 -1.786 -3.767 1.00 0.00 N ATOM 0 H HIS A 67 -9.975 0.416 -5.975 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.885 -0.118 -6.056 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.481 -1.575 -4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.848 -2.219 -5.548 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.961 -1.776 -5.825 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.357 -1.687 -1.651 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -7.172 -1.904 -3.895 1.00 0.00 H new ATOM 973 N ASP A 68 -13.162 0.976 -3.666 1.00 0.00 N ATOM 974 CA ASP A 68 -13.398 1.964 -2.622 1.00 0.00 C ATOM 975 C ASP A 68 -12.960 1.433 -1.261 1.00 0.00 C ATOM 976 O ASP A 68 -13.590 1.714 -0.242 1.00 0.00 O ATOM 977 CB ASP A 68 -14.877 2.349 -2.580 1.00 0.00 C ATOM 978 CG ASP A 68 -15.233 3.390 -3.624 1.00 0.00 C ATOM 979 OD1 ASP A 68 -14.712 3.299 -4.755 1.00 0.00 O ATOM 980 OD2 ASP A 68 -16.035 4.296 -3.310 1.00 0.00 O ATOM 0 H ASP A 68 -13.889 0.265 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.806 2.849 -2.854 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.486 1.459 -2.736 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -15.122 2.733 -1.590 1.00 0.00 H new ATOM 985 N GLY A 69 -11.876 0.664 -1.253 1.00 0.00 N ATOM 986 CA GLY A 69 -11.373 0.106 -0.012 1.00 0.00 C ATOM 987 C GLY A 69 -11.864 -1.307 0.231 1.00 0.00 C ATOM 988 O GLY A 69 -11.114 -2.160 0.707 1.00 0.00 O ATOM 0 H GLY A 69 -11.337 0.418 -2.083 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.283 0.110 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.680 0.741 0.819 1.00 0.00 H new ATOM 992 N SER A 70 -13.128 -1.556 -0.096 1.00 0.00 N ATOM 993 CA SER A 70 -13.720 -2.877 0.089 1.00 0.00 C ATOM 994 C SER A 70 -13.774 -3.639 -1.231 1.00 0.00 C ATOM 995 O SER A 70 -14.292 -3.135 -2.228 1.00 0.00 O ATOM 996 CB SER A 70 -15.125 -2.750 0.679 1.00 0.00 C ATOM 997 OG SER A 70 -15.881 -1.769 -0.011 1.00 0.00 O ATOM 0 H SER A 70 -13.762 -0.861 -0.490 1.00 0.00 H new ATOM 0 HA SER A 70 -13.092 -3.436 0.783 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.635 -3.712 0.623 1.00 0.00 H new ATOM 0 HB3 SER A 70 -15.057 -2.486 1.734 1.00 0.00 H new ATOM 0 HG SER A 70 -15.654 -1.792 -0.964 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.238 -4.854 -1.229 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.226 -5.686 -2.427 1.00 0.00 C ATOM 1005 C VAL A 71 -14.077 -6.937 -2.236 1.00 0.00 C ATOM 1006 O VAL A 71 -13.726 -7.827 -1.462 1.00 0.00 O ATOM 1007 CB VAL A 71 -11.792 -6.107 -2.802 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -11.775 -6.802 -4.155 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -10.865 -4.901 -2.803 1.00 0.00 C ATOM 0 H VAL A 71 -12.806 -5.285 -0.412 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.644 -5.085 -3.235 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.433 -6.813 -2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -10.754 -7.092 -4.402 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.405 -7.691 -4.115 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.154 -6.122 -4.918 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -9.857 -5.217 -3.070 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.220 -4.170 -3.529 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -10.853 -4.450 -1.811 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.197 -6.997 -2.948 1.00 0.00 N ATOM 1020 CA PHE A 72 -16.101 -8.140 -2.859 1.00 0.00 C ATOM 1021 C PHE A 72 -16.644 -8.295 -1.442 1.00 0.00 C ATOM 1022 O PHE A 72 -16.933 -9.405 -0.996 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.381 -9.421 -3.285 1.00 0.00 C ATOM 1024 CG PHE A 72 -14.887 -9.390 -4.703 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -15.740 -9.047 -5.739 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -13.570 -9.704 -4.999 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -15.289 -9.018 -7.045 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.113 -9.676 -6.303 1.00 0.00 C ATOM 1029 CZ PHE A 72 -13.973 -9.333 -7.327 1.00 0.00 C ATOM 0 H PHE A 72 -15.501 -6.268 -3.593 1.00 0.00 H new ATOM 0 HA PHE A 72 -16.939 -7.962 -3.533 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.536 -9.592 -2.618 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.058 -10.266 -3.163 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -16.769 -8.799 -5.524 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -12.893 -9.974 -4.202 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -15.964 -8.750 -7.844 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.084 -9.922 -6.521 1.00 0.00 H new ATOM 0 HZ PHE A 72 -13.618 -9.311 -8.347 1.00 0.00 H new ATOM 1039 N GLY A 73 -16.782 -7.175 -0.740 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.291 -7.209 0.618 1.00 0.00 C ATOM 1041 C GLY A 73 -16.185 -7.144 1.653 1.00 0.00 C ATOM 1042 O GLY A 73 -16.391 -6.647 2.761 1.00 0.00 O ATOM 0 H GLY A 73 -16.550 -6.244 -1.088 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -17.974 -6.373 0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -17.868 -8.122 0.764 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.009 -7.646 1.292 1.00 0.00 N ATOM 1047 CA VAL A 74 -13.866 -7.642 2.197 1.00 0.00 C ATOM 1048 C VAL A 74 -13.181 -6.280 2.209 1.00 0.00 C ATOM 1049 O VAL A 74 -12.733 -5.789 1.173 1.00 0.00 O ATOM 1050 CB VAL A 74 -12.837 -8.720 1.808 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -11.731 -8.808 2.849 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -13.516 -10.070 1.628 1.00 0.00 C ATOM 0 H VAL A 74 -14.823 -8.061 0.379 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.250 -7.862 3.193 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.387 -8.435 0.857 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.015 -9.575 2.555 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.223 -7.846 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.162 -9.065 3.817 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -12.772 -10.818 1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -13.997 -10.363 2.561 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.266 -9.998 0.840 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.102 -5.673 3.389 1.00 0.00 N ATOM 1063 CA ARG A 75 -12.472 -4.365 3.537 1.00 0.00 C ATOM 1064 C ARG A 75 -11.112 -4.492 4.217 1.00 0.00 C ATOM 1065 O ARG A 75 -10.935 -5.298 5.129 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.374 -3.429 4.341 1.00 0.00 C ATOM 1067 CG ARG A 75 -12.795 -2.035 4.528 1.00 0.00 C ATOM 1068 CD ARG A 75 -13.241 -1.415 5.844 1.00 0.00 C ATOM 1069 NE ARG A 75 -12.105 -1.010 6.670 1.00 0.00 N ATOM 1070 CZ ARG A 75 -11.412 -1.844 7.441 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -11.733 -3.130 7.498 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -10.393 -1.390 8.158 1.00 0.00 N ATOM 0 H ARG A 75 -13.466 -6.066 4.257 1.00 0.00 H new ATOM 0 HA ARG A 75 -12.323 -3.945 2.542 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.338 -3.348 3.839 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.560 -3.870 5.320 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -11.707 -2.086 4.499 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.106 -1.397 3.701 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.870 -0.548 5.642 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -13.852 -2.131 6.394 1.00 0.00 H new ATOM 0 HE ARG A 75 -11.827 -0.029 6.654 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.516 -3.485 6.949 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.197 -3.764 8.091 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -10.141 -0.402 8.118 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.861 -2.028 8.749 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.154 -3.688 3.765 1.00 0.00 N ATOM 1087 CA TYR A 76 -8.809 -3.709 4.330 1.00 0.00 C ATOM 1088 C TYR A 76 -8.484 -2.381 5.009 1.00 0.00 C ATOM 1089 O TYR A 76 -7.978 -2.355 6.131 1.00 0.00 O ATOM 1090 CB TYR A 76 -7.779 -4.000 3.238 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.130 -5.192 2.376 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.152 -5.117 1.438 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -7.439 -6.390 2.499 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -9.476 -6.204 0.648 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -7.758 -7.481 1.713 1.00 0.00 C ATOM 1096 CZ TYR A 76 -8.777 -7.383 0.789 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.097 -8.467 0.004 1.00 0.00 O ATOM 0 H TYR A 76 -10.284 -3.015 3.010 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.769 -4.500 5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -7.677 -3.120 2.603 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -6.808 -4.172 3.703 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -9.702 -4.195 1.324 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -6.639 -6.471 3.220 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -10.273 -6.130 -0.077 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.212 -8.406 1.822 1.00 0.00 H new ATOM 0 HH TYR A 76 -8.996 -8.228 -0.941 1.00 0.00 H new ATOM 1107 N PHE A 77 -8.778 -1.283 4.323 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.517 0.047 4.861 1.00 0.00 C ATOM 1109 C PHE A 77 -9.571 1.042 4.386 1.00 0.00 C ATOM 1110 O PHE A 77 -10.460 0.697 3.607 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.124 0.525 4.444 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.925 0.569 2.956 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.622 -0.583 2.250 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.039 1.765 2.265 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.438 -0.546 0.880 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.855 1.809 0.896 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.554 0.652 0.203 1.00 0.00 C ATOM 0 H PHE A 77 -9.197 -1.287 3.393 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.563 -0.013 5.948 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.952 1.520 4.855 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.376 -0.135 4.883 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.528 -1.522 2.776 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.274 2.672 2.802 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.204 -1.452 0.341 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.946 2.747 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.410 0.685 -0.867 1.00 0.00 H new ATOM 1127 N THR A 78 -9.465 2.279 4.861 1.00 0.00 N ATOM 1128 CA THR A 78 -10.410 3.324 4.485 1.00 0.00 C ATOM 1129 C THR A 78 -9.782 4.291 3.485 1.00 0.00 C ATOM 1130 O THR A 78 -8.730 4.872 3.745 1.00 0.00 O ATOM 1131 CB THR A 78 -10.876 4.089 5.726 1.00 0.00 C ATOM 1132 OG1 THR A 78 -9.841 4.159 6.690 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.084 3.468 6.392 1.00 0.00 C ATOM 0 H THR A 78 -8.735 2.582 5.506 1.00 0.00 H new ATOM 0 HA THR A 78 -11.270 2.849 4.014 1.00 0.00 H new ATOM 0 HB THR A 78 -11.149 5.082 5.368 1.00 0.00 H new ATOM 0 HG1 THR A 78 -10.158 4.653 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.362 4.059 7.265 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.916 3.446 5.688 1.00 0.00 H new ATOM 0 HG23 THR A 78 -11.845 2.451 6.704 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.437 4.456 2.340 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.944 5.352 1.301 1.00 0.00 C ATOM 1143 C CYS A 79 -11.100 6.032 0.576 1.00 0.00 C ATOM 1144 O CYS A 79 -12.257 5.638 0.724 1.00 0.00 O ATOM 1145 CB CYS A 79 -9.083 4.580 0.300 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.879 3.102 -0.373 1.00 0.00 S ATOM 0 H CYS A 79 -11.310 3.981 2.109 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.335 6.120 1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.818 5.244 -0.523 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.152 4.289 0.787 1.00 0.00 H new ATOM 0 HG CYS A 79 -9.120 2.067 -0.165 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.780 7.057 -0.209 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.792 7.792 -0.956 1.00 0.00 C ATOM 1154 C ALA A 80 -12.269 6.993 -2.167 1.00 0.00 C ATOM 1155 O ALA A 80 -11.646 6.003 -2.553 1.00 0.00 O ATOM 1156 CB ALA A 80 -11.246 9.142 -1.396 1.00 0.00 C ATOM 0 H ALA A 80 -9.827 7.396 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.647 7.954 -0.299 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -12.013 9.680 -1.953 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.960 9.722 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -10.374 8.992 -2.032 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.387 7.414 -2.784 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.945 6.734 -3.957 1.00 0.00 C ATOM 1164 C PRO A 81 -12.914 6.551 -5.065 1.00 0.00 C ATOM 1165 O PRO A 81 -12.409 7.525 -5.623 1.00 0.00 O ATOM 1166 CB PRO A 81 -15.064 7.672 -4.417 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.450 8.429 -3.194 1.00 0.00 C ATOM 1168 CD PRO A 81 -14.191 8.586 -2.389 1.00 0.00 C ATOM 0 HA PRO A 81 -14.288 5.727 -3.718 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.720 8.342 -5.205 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.909 7.113 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.871 9.400 -3.453 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -16.211 7.893 -2.627 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.680 9.521 -2.620 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -14.396 8.591 -1.318 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.607 5.297 -5.380 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.637 4.986 -6.424 1.00 0.00 C ATOM 1178 C ARG A 82 -10.262 5.549 -6.073 1.00 0.00 C ATOM 1179 O ARG A 82 -9.682 6.322 -6.836 1.00 0.00 O ATOM 1180 CB ARG A 82 -12.106 5.544 -7.768 1.00 0.00 C ATOM 1181 CG ARG A 82 -12.959 4.573 -8.567 1.00 0.00 C ATOM 1182 CD ARG A 82 -13.982 5.300 -9.425 1.00 0.00 C ATOM 1183 NE ARG A 82 -15.333 5.187 -8.881 1.00 0.00 N ATOM 1184 CZ ARG A 82 -16.103 4.112 -9.029 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -15.660 3.056 -9.702 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -17.320 4.091 -8.503 1.00 0.00 N ATOM 0 H ARG A 82 -13.016 4.479 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.556 3.902 -6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -12.676 6.457 -7.594 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.234 5.821 -8.361 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -12.318 3.963 -9.203 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.472 3.893 -7.886 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -13.709 6.352 -9.501 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -13.963 4.892 -10.436 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.708 5.978 -8.357 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -14.725 3.066 -10.109 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -16.255 2.235 -9.812 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.666 4.899 -7.985 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -17.910 3.267 -8.616 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.745 5.156 -4.914 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.439 5.619 -4.461 1.00 0.00 C ATOM 1202 C HIS A 83 -7.535 4.442 -4.112 1.00 0.00 C ATOM 1203 O HIS A 83 -6.378 4.390 -4.531 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.593 6.538 -3.247 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.863 7.966 -3.608 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.318 9.042 -2.943 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.641 8.489 -4.590 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.772 10.159 -3.527 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.578 9.878 -4.532 1.00 0.00 N ATOM 0 H HIS A 83 -10.212 4.517 -4.270 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.977 6.178 -5.275 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.407 6.169 -2.623 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.684 6.489 -2.647 1.00 0.00 H new ATOM 0 HD1 HIS A 83 -7.682 8.996 -2.147 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -10.217 7.918 -5.303 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.512 11.160 -3.215 1.00 0.00 H new ATOM 1217 N GLY A 84 -8.069 3.500 -3.343 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.296 2.336 -2.953 1.00 0.00 C ATOM 1219 C GLY A 84 -6.863 1.501 -4.141 1.00 0.00 C ATOM 1220 O GLY A 84 -7.633 1.302 -5.081 1.00 0.00 O ATOM 0 H GLY A 84 -9.023 3.522 -2.983 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.414 2.659 -2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.889 1.720 -2.277 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.628 1.013 -4.102 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.095 0.196 -5.187 1.00 0.00 C ATOM 1226 C VAL A 85 -4.255 -0.956 -4.646 1.00 0.00 C ATOM 1227 O VAL A 85 -3.344 -0.749 -3.844 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.236 1.034 -6.152 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.118 1.909 -7.030 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.234 1.878 -5.379 1.00 0.00 C ATOM 0 H VAL A 85 -4.978 1.168 -3.332 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.951 -0.205 -5.730 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.681 0.355 -6.799 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.493 2.494 -7.705 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.791 1.279 -7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.703 2.582 -6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.636 2.463 -6.077 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.767 2.550 -4.706 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.580 1.227 -4.799 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.567 -2.169 -5.091 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.840 -3.355 -4.653 1.00 0.00 C ATOM 1242 C PHE A 86 -2.999 -3.927 -5.789 1.00 0.00 C ATOM 1243 O PHE A 86 -3.533 -4.432 -6.777 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.816 -4.416 -4.142 1.00 0.00 C ATOM 1245 CG PHE A 86 -5.103 -4.310 -2.671 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -4.094 -4.498 -1.740 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.381 -4.023 -2.220 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.355 -4.400 -0.386 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.648 -3.926 -0.868 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.634 -4.114 0.050 1.00 0.00 C ATOM 0 H PHE A 86 -5.318 -2.356 -5.755 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.173 -3.063 -3.842 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.752 -4.332 -4.693 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.409 -5.405 -4.354 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -3.093 -4.724 -2.076 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -7.178 -3.873 -2.934 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.560 -4.547 0.330 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.649 -3.703 -0.529 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.841 -4.038 1.107 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.680 -3.846 -5.644 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.767 -4.357 -6.659 1.00 0.00 C ATOM 1262 C ALA A 87 0.366 -5.161 -6.028 1.00 0.00 C ATOM 1263 O ALA A 87 0.778 -4.888 -4.900 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.204 -3.210 -7.486 1.00 0.00 C ATOM 0 H ALA A 87 -1.220 -3.431 -4.833 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.329 -5.024 -7.313 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.476 -3.605 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -1.021 -2.680 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.336 -2.523 -6.835 1.00 0.00 H new ATOM 1270 N PRO A 88 0.888 -6.169 -6.749 1.00 0.00 N ATOM 1271 CA PRO A 88 1.979 -7.015 -6.251 1.00 0.00 C ATOM 1272 C PRO A 88 3.221 -6.205 -5.892 1.00 0.00 C ATOM 1273 O PRO A 88 3.577 -5.258 -6.593 1.00 0.00 O ATOM 1274 CB PRO A 88 2.279 -7.953 -7.425 1.00 0.00 C ATOM 1275 CG PRO A 88 1.042 -7.940 -8.256 1.00 0.00 C ATOM 1276 CD PRO A 88 0.457 -6.566 -8.101 1.00 0.00 C ATOM 0 HA PRO A 88 1.699 -7.536 -5.336 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.141 -7.608 -7.996 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.510 -8.960 -7.077 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.271 -8.152 -9.300 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.339 -8.704 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 88 0.832 -5.880 -8.861 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.629 -6.578 -8.190 1.00 0.00 H new ATOM 1284 N ALA A 89 3.875 -6.584 -4.795 1.00 0.00 N ATOM 1285 CA ALA A 89 5.078 -5.894 -4.344 1.00 0.00 C ATOM 1286 C ALA A 89 6.042 -5.699 -5.506 1.00 0.00 C ATOM 1287 O ALA A 89 6.497 -4.587 -5.774 1.00 0.00 O ATOM 1288 CB ALA A 89 5.746 -6.671 -3.218 1.00 0.00 C ATOM 0 H ALA A 89 3.591 -7.365 -4.204 1.00 0.00 H new ATOM 0 HA ALA A 89 4.795 -4.913 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.642 -6.142 -2.893 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.055 -6.763 -2.380 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.020 -7.664 -3.574 1.00 0.00 H new ATOM 1294 N SER A 90 6.330 -6.792 -6.207 1.00 0.00 N ATOM 1295 CA SER A 90 7.217 -6.745 -7.360 1.00 0.00 C ATOM 1296 C SER A 90 6.699 -5.726 -8.366 1.00 0.00 C ATOM 1297 O SER A 90 7.462 -5.176 -9.162 1.00 0.00 O ATOM 1298 CB SER A 90 7.322 -8.125 -8.013 1.00 0.00 C ATOM 1299 OG SER A 90 7.638 -9.119 -7.054 1.00 0.00 O ATOM 0 H SER A 90 5.961 -7.719 -5.995 1.00 0.00 H new ATOM 0 HA SER A 90 8.211 -6.446 -7.027 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.379 -8.373 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.088 -8.107 -8.789 1.00 0.00 H new ATOM 0 HG SER A 90 7.698 -9.992 -7.495 1.00 0.00 H new ATOM 1305 N ARG A 91 5.392 -5.467 -8.312 1.00 0.00 N ATOM 1306 CA ARG A 91 4.769 -4.500 -9.202 1.00 0.00 C ATOM 1307 C ARG A 91 4.813 -3.102 -8.586 1.00 0.00 C ATOM 1308 O ARG A 91 4.598 -2.105 -9.274 1.00 0.00 O ATOM 1309 CB ARG A 91 3.322 -4.902 -9.496 1.00 0.00 C ATOM 1310 CG ARG A 91 3.123 -5.482 -10.888 1.00 0.00 C ATOM 1311 CD ARG A 91 2.002 -4.777 -11.634 1.00 0.00 C ATOM 1312 NE ARG A 91 0.732 -5.488 -11.516 1.00 0.00 N ATOM 1313 CZ ARG A 91 -0.454 -4.933 -11.753 1.00 0.00 C ATOM 1314 NH1 ARG A 91 -0.537 -3.661 -12.123 1.00 0.00 N ATOM 1315 NH2 ARG A 91 -1.560 -5.652 -11.621 1.00 0.00 N ATOM 0 H ARG A 91 4.749 -5.916 -7.660 1.00 0.00 H new ATOM 0 HA ARG A 91 5.325 -4.485 -10.139 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.000 -5.635 -8.756 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.680 -4.029 -9.380 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.050 -5.394 -11.455 1.00 0.00 H new ATOM 0 HG3 ARG A 91 2.897 -6.545 -10.811 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.888 -3.765 -11.245 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.269 -4.685 -12.687 1.00 0.00 H new ATOM 0 HE ARG A 91 0.755 -6.468 -11.235 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.311 -3.104 -12.227 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -1.449 -3.241 -12.303 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -1.502 -6.630 -11.338 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -2.469 -5.227 -11.803 1.00 0.00 H new ATOM 1329 N ILE A 92 5.094 -3.036 -7.284 1.00 0.00 N ATOM 1330 CA ILE A 92 5.166 -1.759 -6.585 1.00 0.00 C ATOM 1331 C ILE A 92 6.611 -1.394 -6.258 1.00 0.00 C ATOM 1332 O ILE A 92 7.429 -2.264 -5.963 1.00 0.00 O ATOM 1333 CB ILE A 92 4.344 -1.782 -5.281 1.00 0.00 C ATOM 1334 CG1 ILE A 92 2.920 -2.265 -5.559 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.324 -0.401 -4.641 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.136 -2.583 -4.303 1.00 0.00 C ATOM 0 H ILE A 92 5.274 -3.850 -6.697 1.00 0.00 H new ATOM 0 HA ILE A 92 4.746 -1.008 -7.254 1.00 0.00 H new ATOM 0 HB ILE A 92 4.815 -2.477 -4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.389 -1.500 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.962 -3.155 -6.187 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.740 -0.435 -3.722 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.344 -0.091 -4.412 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.874 0.313 -5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.135 -2.920 -4.574 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.645 -3.370 -3.746 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.063 -1.689 -3.684 1.00 0.00 H new ATOM 1348 N GLN A 93 6.916 -0.101 -6.313 1.00 0.00 N ATOM 1349 CA GLN A 93 8.261 0.379 -6.023 1.00 0.00 C ATOM 1350 C GLN A 93 8.266 1.264 -4.780 1.00 0.00 C ATOM 1351 O GLN A 93 7.225 1.489 -4.163 1.00 0.00 O ATOM 1352 CB GLN A 93 8.815 1.157 -7.219 1.00 0.00 C ATOM 1353 CG GLN A 93 9.353 0.266 -8.326 1.00 0.00 C ATOM 1354 CD GLN A 93 9.064 0.817 -9.709 1.00 0.00 C ATOM 1355 OE1 GLN A 93 9.718 1.753 -10.167 1.00 0.00 O ATOM 1356 NE2 GLN A 93 8.079 0.235 -10.383 1.00 0.00 N ATOM 0 H GLN A 93 6.250 0.632 -6.556 1.00 0.00 H new ATOM 0 HA GLN A 93 8.897 -0.486 -5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.028 1.792 -7.625 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.612 1.817 -6.875 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.430 0.150 -8.203 1.00 0.00 H new ATOM 0 HG3 GLN A 93 8.912 -0.727 -8.235 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.562 -0.539 -9.965 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.839 0.562 -11.319 1.00 0.00 H new ATOM 1365 N ARG A 94 9.444 1.762 -4.419 1.00 0.00 N ATOM 1366 CA ARG A 94 9.585 2.621 -3.250 1.00 0.00 C ATOM 1367 C ARG A 94 10.264 3.936 -3.617 1.00 0.00 C ATOM 1368 O ARG A 94 11.261 3.950 -4.339 1.00 0.00 O ATOM 1369 CB ARG A 94 10.386 1.907 -2.159 1.00 0.00 C ATOM 1370 CG ARG A 94 10.040 2.365 -0.752 1.00 0.00 C ATOM 1371 CD ARG A 94 10.870 1.636 0.294 1.00 0.00 C ATOM 1372 NE ARG A 94 11.552 2.563 1.195 1.00 0.00 N ATOM 1373 CZ ARG A 94 12.680 3.199 0.888 1.00 0.00 C ATOM 1374 NH1 ARG A 94 13.256 3.014 -0.293 1.00 0.00 N ATOM 1375 NH2 ARG A 94 13.235 4.025 1.766 1.00 0.00 N ATOM 0 H ARG A 94 10.315 1.585 -4.920 1.00 0.00 H new ATOM 0 HA ARG A 94 8.587 2.843 -2.872 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.212 0.834 -2.236 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.449 2.071 -2.334 1.00 0.00 H new ATOM 0 HG2 ARG A 94 10.208 3.439 -0.667 1.00 0.00 H new ATOM 0 HG3 ARG A 94 8.981 2.192 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.225 0.976 0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 94 11.607 1.005 -0.203 1.00 0.00 H new ATOM 0 HE ARG A 94 11.139 2.732 2.112 1.00 0.00 H new ATOM 0 HH11 ARG A 94 12.834 2.381 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.120 3.505 -0.521 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.797 4.172 2.675 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.100 4.513 1.531 1.00 0.00 H new ATOM 1389 N ILE A 95 9.716 5.039 -3.118 1.00 0.00 N ATOM 1390 CA ILE A 95 10.270 6.359 -3.393 1.00 0.00 C ATOM 1391 C ILE A 95 11.010 6.908 -2.178 1.00 0.00 C ATOM 1392 O ILE A 95 12.044 7.564 -2.313 1.00 0.00 O ATOM 1393 CB ILE A 95 9.167 7.356 -3.803 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.305 6.769 -4.923 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.782 8.678 -4.239 1.00 0.00 C ATOM 1396 CD1 ILE A 95 6.832 7.078 -4.776 1.00 0.00 C ATOM 0 H ILE A 95 8.889 5.045 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 95 10.971 6.243 -4.220 1.00 0.00 H new ATOM 0 HB ILE A 95 8.529 7.541 -2.939 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.655 7.155 -5.880 1.00 0.00 H new ATOM 0 HG13 ILE A 95 8.441 5.688 -4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 95 8.991 9.371 -4.525 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.355 9.102 -3.414 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.442 8.509 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.282 6.631 -5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.466 6.668 -3.835 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.684 8.158 -4.783 1.00 0.00 H new