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 38 LYS NZ :NH3+ 161:sc= 0.88 (180deg=-0.0222) USER MOD Set 1.2: A 64 THR OG1 : rot -61:sc= 1.96 USER MOD Set 2.1: A 45 TYR OH : rot -80:sc= 0.517 USER MOD Set 2.2: A 56 TYR OH : rot -73:sc= 0.74 USER MOD Single : A 31 GLN : amide:sc= -1.3 K(o=-1.3,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.074) USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0.362 (180deg=0.157) USER MOD Single : A 48 THR OG1 : rot 170:sc= 0.666 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -0.363 X(o=-0.36,f=-0.1) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.551 K(o=-0.55,f=-1.6) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 88:sc= 0.624 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.0899 USER MOD Single : A 79 CYS SG : rot 74:sc= -0.378 USER MOD Single : A 83 HIS : no HD1:sc= -5.21! C(o=-5.2!,f=-5.5!) USER MOD Single : A 90 SER OG : rot 180:sc= 0.00498 USER MOD Single : A 93 GLN : amide:sc= -1.05 K(o=-1,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 330 N ALA A 26 7.992 -2.606 0.501 1.00 0.00 N ATOM 331 CA ALA A 26 7.652 -1.392 1.232 1.00 0.00 C ATOM 332 C ALA A 26 7.034 -1.721 2.586 1.00 0.00 C ATOM 333 O ALA A 26 6.678 -2.868 2.855 1.00 0.00 O ATOM 334 CB ALA A 26 6.704 -0.531 0.412 1.00 0.00 C ATOM 0 HA ALA A 26 8.572 -0.834 1.408 1.00 0.00 H new ATOM 0 HB1 ALA A 26 6.458 0.373 0.970 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.182 -0.258 -0.529 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.791 -1.090 0.206 1.00 0.00 H new ATOM 340 N GLU A 27 6.910 -0.707 3.437 1.00 0.00 N ATOM 341 CA GLU A 27 6.334 -0.890 4.766 1.00 0.00 C ATOM 342 C GLU A 27 5.048 -0.084 4.917 1.00 0.00 C ATOM 343 O GLU A 27 4.822 0.885 4.192 1.00 0.00 O ATOM 344 CB GLU A 27 7.340 -0.476 5.841 1.00 0.00 C ATOM 345 CG GLU A 27 8.039 0.842 5.546 1.00 0.00 C ATOM 346 CD GLU A 27 9.476 0.653 5.102 1.00 0.00 C ATOM 347 OE1 GLU A 27 10.344 0.438 5.975 1.00 0.00 O ATOM 348 OE2 GLU A 27 9.735 0.720 3.882 1.00 0.00 O ATOM 0 H GLU A 27 7.200 0.249 3.231 1.00 0.00 H new ATOM 0 HA GLU A 27 6.095 -1.946 4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 27 6.825 -0.398 6.798 1.00 0.00 H new ATOM 0 HB3 GLU A 27 8.090 -1.260 5.946 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.490 1.374 4.770 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.018 1.468 6.438 1.00 0.00 H new ATOM 355 N VAL A 28 4.210 -0.489 5.866 1.00 0.00 N ATOM 356 CA VAL A 28 2.948 0.196 6.114 1.00 0.00 C ATOM 357 C VAL A 28 3.185 1.592 6.681 1.00 0.00 C ATOM 358 O VAL A 28 3.128 1.799 7.893 1.00 0.00 O ATOM 359 CB VAL A 28 2.058 -0.599 7.089 1.00 0.00 C ATOM 360 CG1 VAL A 28 0.693 0.058 7.229 1.00 0.00 C ATOM 361 CG2 VAL A 28 1.916 -2.042 6.627 1.00 0.00 C ATOM 0 H VAL A 28 4.383 -1.288 6.476 1.00 0.00 H new ATOM 0 HA VAL A 28 2.437 0.277 5.154 1.00 0.00 H new ATOM 0 HB VAL A 28 2.537 -0.598 8.068 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.081 -0.519 7.922 1.00 0.00 H new ATOM 0 HG12 VAL A 28 0.815 1.072 7.610 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.204 0.093 6.255 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.284 -2.588 7.328 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.462 -2.064 5.636 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.900 -2.509 6.586 1.00 0.00 H new ATOM 371 N GLY A 29 3.450 2.547 5.795 1.00 0.00 N ATOM 372 CA GLY A 29 3.692 3.911 6.225 1.00 0.00 C ATOM 373 C GLY A 29 4.869 4.545 5.511 1.00 0.00 C ATOM 374 O GLY A 29 5.699 5.206 6.135 1.00 0.00 O ATOM 0 H GLY A 29 3.501 2.400 4.787 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.798 4.509 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 29 3.874 3.923 7.300 1.00 0.00 H new ATOM 378 N ASP A 30 4.941 4.344 4.200 1.00 0.00 N ATOM 379 CA ASP A 30 6.026 4.901 3.399 1.00 0.00 C ATOM 380 C ASP A 30 5.554 5.207 1.982 1.00 0.00 C ATOM 381 O ASP A 30 4.472 4.785 1.572 1.00 0.00 O ATOM 382 CB ASP A 30 7.209 3.930 3.358 1.00 0.00 C ATOM 383 CG ASP A 30 8.541 4.637 3.507 1.00 0.00 C ATOM 384 OD1 ASP A 30 8.874 5.469 2.635 1.00 0.00 O ATOM 385 OD2 ASP A 30 9.253 4.361 4.495 1.00 0.00 O ATOM 0 H ASP A 30 4.261 3.800 3.669 1.00 0.00 H new ATOM 0 HA ASP A 30 6.347 5.833 3.865 1.00 0.00 H new ATOM 0 HB2 ASP A 30 7.100 3.194 4.155 1.00 0.00 H new ATOM 0 HB3 ASP A 30 7.194 3.383 2.415 1.00 0.00 H new ATOM 390 N GLN A 31 6.371 5.946 1.238 1.00 0.00 N ATOM 391 CA GLN A 31 6.035 6.309 -0.134 1.00 0.00 C ATOM 392 C GLN A 31 6.284 5.142 -1.083 1.00 0.00 C ATOM 393 O GLN A 31 7.351 4.527 -1.062 1.00 0.00 O ATOM 394 CB GLN A 31 6.854 7.525 -0.575 1.00 0.00 C ATOM 395 CG GLN A 31 6.118 8.845 -0.409 1.00 0.00 C ATOM 396 CD GLN A 31 6.310 9.450 0.969 1.00 0.00 C ATOM 397 OE1 GLN A 31 6.936 10.500 1.117 1.00 0.00 O ATOM 398 NE2 GLN A 31 5.772 8.788 1.986 1.00 0.00 N ATOM 0 H GLN A 31 7.269 6.305 1.562 1.00 0.00 H new ATOM 0 HA GLN A 31 4.975 6.560 -0.169 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.779 7.559 0.001 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.135 7.404 -1.621 1.00 0.00 H new ATOM 0 HG2 GLN A 31 6.468 9.550 -1.163 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.054 8.689 -0.588 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.261 7.921 1.817 1.00 0.00 H new ATOM 0 HE22 GLN A 31 5.869 9.146 2.936 1.00 0.00 H new ATOM 407 N VAL A 32 5.293 4.841 -1.915 1.00 0.00 N ATOM 408 CA VAL A 32 5.405 3.747 -2.874 1.00 0.00 C ATOM 409 C VAL A 32 4.949 4.184 -4.261 1.00 0.00 C ATOM 410 O VAL A 32 4.425 5.284 -4.436 1.00 0.00 O ATOM 411 CB VAL A 32 4.574 2.527 -2.435 1.00 0.00 C ATOM 412 CG1 VAL A 32 5.267 1.789 -1.300 1.00 0.00 C ATOM 413 CG2 VAL A 32 3.172 2.952 -2.028 1.00 0.00 C ATOM 0 H VAL A 32 4.403 5.339 -1.945 1.00 0.00 H new ATOM 0 HA VAL A 32 6.458 3.466 -2.911 1.00 0.00 H new ATOM 0 HB VAL A 32 4.489 1.846 -3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 32 4.665 0.930 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.247 1.447 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.386 2.460 -0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.601 2.076 -1.721 1.00 0.00 H new ATOM 0 HG22 VAL A 32 3.232 3.655 -1.197 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.677 3.430 -2.873 1.00 0.00 H new ATOM 423 N LEU A 33 5.153 3.316 -5.246 1.00 0.00 N ATOM 424 CA LEU A 33 4.764 3.612 -6.620 1.00 0.00 C ATOM 425 C LEU A 33 4.252 2.359 -7.321 1.00 0.00 C ATOM 426 O LEU A 33 5.012 1.424 -7.575 1.00 0.00 O ATOM 427 CB LEU A 33 5.949 4.196 -7.391 1.00 0.00 C ATOM 428 CG LEU A 33 5.585 4.916 -8.691 1.00 0.00 C ATOM 429 CD1 LEU A 33 4.748 6.152 -8.400 1.00 0.00 C ATOM 430 CD2 LEU A 33 6.843 5.290 -9.460 1.00 0.00 C ATOM 0 H LEU A 33 5.586 2.401 -5.118 1.00 0.00 H new ATOM 0 HA LEU A 33 3.959 4.346 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.476 4.895 -6.742 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.645 3.390 -7.623 1.00 0.00 H new ATOM 0 HG LEU A 33 4.993 4.239 -9.307 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.499 6.651 -9.336 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.831 5.858 -7.890 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.314 6.834 -7.765 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.567 5.801 -10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.460 5.950 -8.850 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.405 4.387 -9.700 1.00 0.00 H new ATOM 442 N VAL A 34 2.959 2.345 -7.630 1.00 0.00 N ATOM 443 CA VAL A 34 2.346 1.204 -8.299 1.00 0.00 C ATOM 444 C VAL A 34 2.602 1.246 -9.803 1.00 0.00 C ATOM 445 O VAL A 34 2.280 2.228 -10.471 1.00 0.00 O ATOM 446 CB VAL A 34 0.827 1.156 -8.052 1.00 0.00 C ATOM 447 CG1 VAL A 34 0.239 -0.141 -8.585 1.00 0.00 C ATOM 448 CG2 VAL A 34 0.522 1.318 -6.570 1.00 0.00 C ATOM 0 H VAL A 34 2.316 3.111 -7.428 1.00 0.00 H new ATOM 0 HA VAL A 34 2.804 0.309 -7.878 1.00 0.00 H new ATOM 0 HB VAL A 34 0.364 1.985 -8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.835 -0.156 -8.401 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.425 -0.211 -9.657 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.706 -0.987 -8.080 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.556 1.282 -6.414 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.997 0.512 -6.011 1.00 0.00 H new ATOM 0 HG23 VAL A 34 0.907 2.277 -6.222 1.00 0.00 H new ATOM 458 N ALA A 35 3.183 0.171 -10.327 1.00 0.00 N ATOM 459 CA ALA A 35 3.483 0.083 -11.752 1.00 0.00 C ATOM 460 C ALA A 35 4.388 1.226 -12.199 1.00 0.00 C ATOM 461 O ALA A 35 4.369 1.625 -13.364 1.00 0.00 O ATOM 462 CB ALA A 35 2.195 0.080 -12.561 1.00 0.00 C ATOM 0 H ALA A 35 3.455 -0.650 -9.787 1.00 0.00 H new ATOM 0 HA ALA A 35 4.014 -0.852 -11.928 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.432 0.014 -13.623 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.586 -0.776 -12.272 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.643 1.000 -12.369 1.00 0.00 H new ATOM 468 N GLY A 36 5.179 1.750 -11.269 1.00 0.00 N ATOM 469 CA GLY A 36 6.080 2.842 -11.590 1.00 0.00 C ATOM 470 C GLY A 36 5.355 4.046 -12.162 1.00 0.00 C ATOM 471 O GLY A 36 5.894 4.756 -13.011 1.00 0.00 O ATOM 0 H GLY A 36 5.213 1.438 -10.298 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.619 3.140 -10.691 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.824 2.496 -12.307 1.00 0.00 H new ATOM 475 N GLN A 37 4.132 4.275 -11.698 1.00 0.00 N ATOM 476 CA GLN A 37 3.334 5.399 -12.172 1.00 0.00 C ATOM 477 C GLN A 37 2.489 5.986 -11.045 1.00 0.00 C ATOM 478 O GLN A 37 2.748 7.092 -10.572 1.00 0.00 O ATOM 479 CB GLN A 37 2.431 4.960 -13.325 1.00 0.00 C ATOM 480 CG GLN A 37 3.194 4.421 -14.524 1.00 0.00 C ATOM 481 CD GLN A 37 2.281 3.806 -15.567 1.00 0.00 C ATOM 482 OE1 GLN A 37 2.007 4.412 -16.603 1.00 0.00 O ATOM 483 NE2 GLN A 37 1.806 2.596 -15.298 1.00 0.00 N ATOM 0 H GLN A 37 3.672 3.698 -10.994 1.00 0.00 H new ATOM 0 HA GLN A 37 4.018 6.170 -12.527 1.00 0.00 H new ATOM 0 HB2 GLN A 37 1.745 4.192 -12.966 1.00 0.00 H new ATOM 0 HB3 GLN A 37 1.823 5.807 -13.643 1.00 0.00 H new ATOM 0 HG2 GLN A 37 3.767 5.229 -14.979 1.00 0.00 H new ATOM 0 HG3 GLN A 37 3.911 3.672 -14.187 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.060 2.131 -14.426 1.00 0.00 H new ATOM 0 HE22 GLN A 37 1.187 2.132 -15.963 1.00 0.00 H new ATOM 492 N LYS A 38 1.476 5.237 -10.619 1.00 0.00 N ATOM 493 CA LYS A 38 0.591 5.685 -9.549 1.00 0.00 C ATOM 494 C LYS A 38 1.331 5.739 -8.217 1.00 0.00 C ATOM 495 O LYS A 38 1.757 4.712 -7.689 1.00 0.00 O ATOM 496 CB LYS A 38 -0.618 4.754 -9.436 1.00 0.00 C ATOM 497 CG LYS A 38 -1.297 4.475 -10.768 1.00 0.00 C ATOM 498 CD LYS A 38 -2.510 5.368 -10.973 1.00 0.00 C ATOM 499 CE LYS A 38 -2.103 6.785 -11.341 1.00 0.00 C ATOM 500 NZ LYS A 38 -3.131 7.458 -12.184 1.00 0.00 N ATOM 0 H LYS A 38 1.248 4.318 -10.998 1.00 0.00 H new ATOM 0 HA LYS A 38 0.246 6.690 -9.793 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -0.299 3.810 -8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.344 5.196 -8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.587 4.632 -11.580 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.602 3.429 -10.810 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -3.140 4.953 -11.760 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.108 5.385 -10.062 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.943 7.364 -10.432 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -1.153 6.763 -11.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.989 8.488 -12.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.043 7.130 -13.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.080 7.226 -11.826 1.00 0.00 H new ATOM 514 N GLN A 39 1.482 6.945 -7.679 1.00 0.00 N ATOM 515 CA GLN A 39 2.171 7.135 -6.407 1.00 0.00 C ATOM 516 C GLN A 39 1.180 7.147 -5.248 1.00 0.00 C ATOM 517 O GLN A 39 0.191 7.880 -5.272 1.00 0.00 O ATOM 518 CB GLN A 39 2.968 8.440 -6.425 1.00 0.00 C ATOM 519 CG GLN A 39 4.179 8.426 -5.506 1.00 0.00 C ATOM 520 CD GLN A 39 4.015 9.342 -4.308 1.00 0.00 C ATOM 521 OE1 GLN A 39 3.368 8.984 -3.324 1.00 0.00 O ATOM 522 NE2 GLN A 39 4.603 10.530 -4.387 1.00 0.00 N ATOM 0 H GLN A 39 1.137 7.806 -8.104 1.00 0.00 H new ATOM 0 HA GLN A 39 2.857 6.300 -6.266 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.298 8.640 -7.444 1.00 0.00 H new ATOM 0 HB3 GLN A 39 2.312 9.261 -6.135 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.355 7.408 -5.158 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.062 8.727 -6.070 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.129 10.784 -5.223 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.528 11.189 -3.612 1.00 0.00 H new ATOM 531 N GLY A 40 1.451 6.331 -4.235 1.00 0.00 N ATOM 532 CA GLY A 40 0.574 6.264 -3.081 1.00 0.00 C ATOM 533 C GLY A 40 1.304 5.845 -1.820 1.00 0.00 C ATOM 534 O GLY A 40 2.529 5.732 -1.812 1.00 0.00 O ATOM 0 H GLY A 40 2.263 5.715 -4.193 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.112 7.239 -2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.232 5.558 -3.282 1.00 0.00 H new ATOM 538 N ILE A 41 0.548 5.617 -0.750 1.00 0.00 N ATOM 539 CA ILE A 41 1.129 5.210 0.523 1.00 0.00 C ATOM 540 C ILE A 41 0.495 3.918 1.029 1.00 0.00 C ATOM 541 O ILE A 41 -0.719 3.738 0.948 1.00 0.00 O ATOM 542 CB ILE A 41 0.960 6.305 1.594 1.00 0.00 C ATOM 543 CG1 ILE A 41 1.414 7.659 1.047 1.00 0.00 C ATOM 544 CG2 ILE A 41 1.739 5.944 2.849 1.00 0.00 C ATOM 545 CD1 ILE A 41 2.892 7.715 0.723 1.00 0.00 C ATOM 0 H ILE A 41 -0.468 5.707 -0.740 1.00 0.00 H new ATOM 0 HA ILE A 41 2.192 5.046 0.347 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.096 6.377 1.855 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.844 7.888 0.147 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.181 8.434 1.777 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.609 6.727 3.596 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.370 4.999 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.797 5.847 2.605 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.143 8.704 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 41 3.470 7.518 1.626 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.128 6.963 -0.030 1.00 0.00 H new ATOM 557 N VAL A 42 1.326 3.023 1.553 1.00 0.00 N ATOM 558 CA VAL A 42 0.846 1.748 2.072 1.00 0.00 C ATOM 559 C VAL A 42 0.031 1.946 3.345 1.00 0.00 C ATOM 560 O VAL A 42 0.518 2.506 4.327 1.00 0.00 O ATOM 561 CB VAL A 42 2.012 0.787 2.369 1.00 0.00 C ATOM 562 CG1 VAL A 42 1.487 -0.598 2.717 1.00 0.00 C ATOM 563 CG2 VAL A 42 2.966 0.722 1.186 1.00 0.00 C ATOM 0 H VAL A 42 2.334 3.157 1.629 1.00 0.00 H new ATOM 0 HA VAL A 42 0.212 1.311 1.300 1.00 0.00 H new ATOM 0 HB VAL A 42 2.563 1.168 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 42 2.325 -1.263 2.924 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.848 -0.534 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.911 -0.990 1.879 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.783 0.038 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.430 0.366 0.306 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.369 1.715 0.988 1.00 0.00 H new ATOM 573 N ARG A 43 -1.215 1.484 3.322 1.00 0.00 N ATOM 574 CA ARG A 43 -2.100 1.610 4.475 1.00 0.00 C ATOM 575 C ARG A 43 -2.425 0.242 5.064 1.00 0.00 C ATOM 576 O ARG A 43 -2.555 0.093 6.279 1.00 0.00 O ATOM 577 CB ARG A 43 -3.391 2.328 4.076 1.00 0.00 C ATOM 578 CG ARG A 43 -3.161 3.704 3.472 1.00 0.00 C ATOM 579 CD ARG A 43 -2.375 4.602 4.414 1.00 0.00 C ATOM 580 NE ARG A 43 -2.885 5.971 4.417 1.00 0.00 N ATOM 581 CZ ARG A 43 -2.191 7.020 4.856 1.00 0.00 C ATOM 582 NH1 ARG A 43 -0.962 6.860 5.330 1.00 0.00 N ATOM 583 NH2 ARG A 43 -2.729 8.231 4.823 1.00 0.00 N ATOM 0 H ARG A 43 -1.635 1.019 2.517 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.585 2.198 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -3.933 1.712 3.359 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -4.028 2.428 4.955 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -2.622 3.603 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.121 4.167 3.243 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -2.421 4.196 5.424 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.326 4.607 4.119 1.00 0.00 H new ATOM 0 HE ARG A 43 -3.827 6.133 4.062 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -0.544 5.930 5.360 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -0.435 7.667 5.665 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -3.674 8.359 4.462 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -2.198 9.034 5.159 1.00 0.00 H new ATOM 597 N PHE A 44 -2.557 -0.755 4.195 1.00 0.00 N ATOM 598 CA PHE A 44 -2.868 -2.113 4.631 1.00 0.00 C ATOM 599 C PHE A 44 -2.056 -3.138 3.844 1.00 0.00 C ATOM 600 O PHE A 44 -2.273 -3.328 2.647 1.00 0.00 O ATOM 601 CB PHE A 44 -4.362 -2.393 4.465 1.00 0.00 C ATOM 602 CG PHE A 44 -4.772 -3.762 4.929 1.00 0.00 C ATOM 603 CD1 PHE A 44 -5.166 -3.974 6.240 1.00 0.00 C ATOM 604 CD2 PHE A 44 -4.764 -4.836 4.054 1.00 0.00 C ATOM 605 CE1 PHE A 44 -5.544 -5.233 6.671 1.00 0.00 C ATOM 606 CE2 PHE A 44 -5.140 -6.096 4.478 1.00 0.00 C ATOM 607 CZ PHE A 44 -5.531 -6.295 5.788 1.00 0.00 C ATOM 0 H PHE A 44 -2.454 -0.649 3.186 1.00 0.00 H new ATOM 0 HA PHE A 44 -2.603 -2.199 5.685 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.927 -1.645 5.021 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -4.630 -2.279 3.415 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -5.178 -3.147 6.934 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -4.460 -4.687 3.028 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -5.849 -5.385 7.696 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -5.128 -6.925 3.786 1.00 0.00 H new ATOM 0 HZ PHE A 44 -5.826 -7.279 6.121 1.00 0.00 H new ATOM 617 N TYR A 45 -1.124 -3.796 4.524 1.00 0.00 N ATOM 618 CA TYR A 45 -0.283 -4.803 3.887 1.00 0.00 C ATOM 619 C TYR A 45 -0.681 -6.205 4.335 1.00 0.00 C ATOM 620 O TYR A 45 -0.933 -6.443 5.516 1.00 0.00 O ATOM 621 CB TYR A 45 1.191 -4.550 4.213 1.00 0.00 C ATOM 622 CG TYR A 45 2.134 -5.549 3.581 1.00 0.00 C ATOM 623 CD1 TYR A 45 1.937 -5.991 2.278 1.00 0.00 C ATOM 624 CD2 TYR A 45 3.221 -6.051 4.286 1.00 0.00 C ATOM 625 CE1 TYR A 45 2.796 -6.904 1.697 1.00 0.00 C ATOM 626 CE2 TYR A 45 4.084 -6.965 3.712 1.00 0.00 C ATOM 627 CZ TYR A 45 3.867 -7.388 2.418 1.00 0.00 C ATOM 628 OH TYR A 45 4.724 -8.298 1.842 1.00 0.00 O ATOM 0 H TYR A 45 -0.932 -3.651 5.515 1.00 0.00 H new ATOM 0 HA TYR A 45 -0.426 -4.730 2.809 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.461 -3.548 3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 45 1.324 -4.573 5.295 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.099 -5.615 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 45 3.394 -5.721 5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 45 2.629 -7.237 0.683 1.00 0.00 H new ATOM 0 HE2 TYR A 45 4.924 -7.346 4.274 1.00 0.00 H new ATOM 0 HH TYR A 45 4.323 -9.191 1.874 1.00 0.00 H new ATOM 638 N GLY A 46 -0.738 -7.132 3.383 1.00 0.00 N ATOM 639 CA GLY A 46 -1.106 -8.499 3.700 1.00 0.00 C ATOM 640 C GLY A 46 -1.727 -9.220 2.521 1.00 0.00 C ATOM 641 O GLY A 46 -1.600 -8.780 1.378 1.00 0.00 O ATOM 0 H GLY A 46 -0.536 -6.960 2.398 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -0.221 -9.043 4.030 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.809 -8.499 4.533 1.00 0.00 H new ATOM 645 N LYS A 47 -2.402 -10.330 2.797 1.00 0.00 N ATOM 646 CA LYS A 47 -3.045 -11.115 1.749 1.00 0.00 C ATOM 647 C LYS A 47 -4.466 -10.621 1.494 1.00 0.00 C ATOM 648 O LYS A 47 -5.010 -9.837 2.272 1.00 0.00 O ATOM 649 CB LYS A 47 -3.070 -12.595 2.135 1.00 0.00 C ATOM 650 CG LYS A 47 -1.845 -13.365 1.670 1.00 0.00 C ATOM 651 CD LYS A 47 -2.005 -14.858 1.902 1.00 0.00 C ATOM 652 CE LYS A 47 -0.907 -15.650 1.211 1.00 0.00 C ATOM 653 NZ LYS A 47 0.181 -16.031 2.153 1.00 0.00 N ATOM 0 H LYS A 47 -2.518 -10.707 3.738 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.467 -10.995 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.151 -12.678 3.219 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.962 -13.057 1.712 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -1.676 -13.176 0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.964 -13.005 2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.986 -15.065 2.972 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.977 -15.183 1.532 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.333 -16.549 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -0.491 -15.058 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 0.791 -16.746 1.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.747 -15.191 2.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -0.234 -16.423 3.022 1.00 0.00 H new ATOM 667 N THR A 48 -5.059 -11.084 0.400 1.00 0.00 N ATOM 668 CA THR A 48 -6.417 -10.691 0.041 1.00 0.00 C ATOM 669 C THR A 48 -7.275 -11.915 -0.257 1.00 0.00 C ATOM 670 O THR A 48 -6.838 -13.052 -0.072 1.00 0.00 O ATOM 671 CB THR A 48 -6.396 -9.760 -1.171 1.00 0.00 C ATOM 672 OG1 THR A 48 -6.037 -10.470 -2.344 1.00 0.00 O ATOM 673 CG2 THR A 48 -5.431 -8.604 -1.022 1.00 0.00 C ATOM 0 H THR A 48 -4.621 -11.732 -0.254 1.00 0.00 H new ATOM 0 HA THR A 48 -6.853 -10.162 0.888 1.00 0.00 H new ATOM 0 HB THR A 48 -7.408 -9.361 -1.245 1.00 0.00 H new ATOM 0 HG1 THR A 48 -6.188 -9.903 -3.129 1.00 0.00 H new ATOM 0 HG21 THR A 48 -5.466 -7.983 -1.917 1.00 0.00 H new ATOM 0 HG22 THR A 48 -5.710 -8.006 -0.154 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.420 -8.989 -0.887 1.00 0.00 H new ATOM 681 N ASP A 49 -8.498 -11.676 -0.718 1.00 0.00 N ATOM 682 CA ASP A 49 -9.418 -12.761 -1.041 1.00 0.00 C ATOM 683 C ASP A 49 -9.637 -12.857 -2.548 1.00 0.00 C ATOM 684 O ASP A 49 -9.862 -13.943 -3.085 1.00 0.00 O ATOM 685 CB ASP A 49 -10.757 -12.551 -0.328 1.00 0.00 C ATOM 686 CG ASP A 49 -11.080 -13.675 0.637 1.00 0.00 C ATOM 687 OD1 ASP A 49 -10.135 -14.338 1.113 1.00 0.00 O ATOM 688 OD2 ASP A 49 -12.278 -13.892 0.914 1.00 0.00 O ATOM 0 H ASP A 49 -8.875 -10.742 -0.876 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.975 -13.696 -0.697 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.732 -11.606 0.214 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.552 -12.473 -1.069 1.00 0.00 H new ATOM 693 N PHE A 50 -9.573 -11.716 -3.225 1.00 0.00 N ATOM 694 CA PHE A 50 -9.766 -11.672 -4.670 1.00 0.00 C ATOM 695 C PHE A 50 -8.618 -12.366 -5.396 1.00 0.00 C ATOM 696 O PHE A 50 -8.821 -13.016 -6.421 1.00 0.00 O ATOM 697 CB PHE A 50 -9.885 -10.223 -5.147 1.00 0.00 C ATOM 698 CG PHE A 50 -8.779 -9.336 -4.653 1.00 0.00 C ATOM 699 CD1 PHE A 50 -7.522 -9.384 -5.237 1.00 0.00 C ATOM 700 CD2 PHE A 50 -8.995 -8.454 -3.607 1.00 0.00 C ATOM 701 CE1 PHE A 50 -6.502 -8.568 -4.784 1.00 0.00 C ATOM 702 CE2 PHE A 50 -7.980 -7.635 -3.152 1.00 0.00 C ATOM 703 CZ PHE A 50 -6.731 -7.693 -3.740 1.00 0.00 C ATOM 0 H PHE A 50 -9.389 -10.809 -2.796 1.00 0.00 H new ATOM 0 HA PHE A 50 -10.690 -12.201 -4.903 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -9.893 -10.207 -6.237 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -10.841 -9.817 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -7.338 -10.066 -6.054 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -9.968 -8.406 -3.142 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -5.527 -8.615 -5.246 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -8.163 -6.950 -2.337 1.00 0.00 H new ATOM 0 HZ PHE A 50 -5.935 -7.055 -3.384 1.00 0.00 H new ATOM 713 N ALA A 51 -7.411 -12.224 -4.857 1.00 0.00 N ATOM 714 CA ALA A 51 -6.231 -12.838 -5.454 1.00 0.00 C ATOM 715 C ALA A 51 -5.207 -13.217 -4.387 1.00 0.00 C ATOM 716 O ALA A 51 -5.067 -12.527 -3.377 1.00 0.00 O ATOM 717 CB ALA A 51 -5.609 -11.899 -6.476 1.00 0.00 C ATOM 0 H ALA A 51 -7.225 -11.689 -4.008 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.544 -13.752 -5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.729 -12.370 -6.914 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.334 -11.684 -7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -5.318 -10.970 -5.986 1.00 0.00 H new ATOM 723 N PRO A 52 -4.472 -14.324 -4.598 1.00 0.00 N ATOM 724 CA PRO A 52 -3.458 -14.791 -3.648 1.00 0.00 C ATOM 725 C PRO A 52 -2.195 -13.936 -3.682 1.00 0.00 C ATOM 726 O PRO A 52 -2.057 -13.048 -4.523 1.00 0.00 O ATOM 727 CB PRO A 52 -3.155 -16.210 -4.129 1.00 0.00 C ATOM 728 CG PRO A 52 -3.436 -16.177 -5.591 1.00 0.00 C ATOM 729 CD PRO A 52 -4.574 -15.208 -5.776 1.00 0.00 C ATOM 0 HA PRO A 52 -3.808 -14.739 -2.617 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.119 -16.484 -3.930 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.781 -16.943 -3.621 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -2.557 -15.857 -6.150 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.704 -17.167 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.477 -14.649 -6.707 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.535 -15.720 -5.811 1.00 0.00 H new ATOM 737 N GLY A 53 -1.276 -14.211 -2.763 1.00 0.00 N ATOM 738 CA GLY A 53 -0.035 -13.460 -2.706 1.00 0.00 C ATOM 739 C GLY A 53 -0.118 -12.274 -1.766 1.00 0.00 C ATOM 740 O GLY A 53 -1.190 -11.952 -1.254 1.00 0.00 O ATOM 0 H GLY A 53 -1.368 -14.941 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 53 0.771 -14.120 -2.384 1.00 0.00 H new ATOM 0 HA3 GLY A 53 0.221 -13.110 -3.706 1.00 0.00 H new ATOM 744 N TYR A 54 1.018 -11.622 -1.538 1.00 0.00 N ATOM 745 CA TYR A 54 1.072 -10.464 -0.653 1.00 0.00 C ATOM 746 C TYR A 54 0.825 -9.174 -1.430 1.00 0.00 C ATOM 747 O TYR A 54 1.659 -8.750 -2.229 1.00 0.00 O ATOM 748 CB TYR A 54 2.427 -10.397 0.052 1.00 0.00 C ATOM 749 CG TYR A 54 2.549 -11.345 1.224 1.00 0.00 C ATOM 750 CD1 TYR A 54 2.441 -12.718 1.044 1.00 0.00 C ATOM 751 CD2 TYR A 54 2.772 -10.867 2.509 1.00 0.00 C ATOM 752 CE1 TYR A 54 2.551 -13.589 2.112 1.00 0.00 C ATOM 753 CE2 TYR A 54 2.885 -11.732 3.581 1.00 0.00 C ATOM 754 CZ TYR A 54 2.773 -13.090 3.378 1.00 0.00 C ATOM 755 OH TYR A 54 2.885 -13.954 4.444 1.00 0.00 O ATOM 0 H TYR A 54 1.914 -11.876 -1.954 1.00 0.00 H new ATOM 0 HA TYR A 54 0.287 -10.573 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 54 3.213 -10.621 -0.669 1.00 0.00 H new ATOM 0 HB3 TYR A 54 2.595 -9.378 0.401 1.00 0.00 H new ATOM 0 HD1 TYR A 54 2.268 -13.112 0.053 1.00 0.00 H new ATOM 0 HD2 TYR A 54 2.858 -9.803 2.673 1.00 0.00 H new ATOM 0 HE1 TYR A 54 2.464 -14.654 1.956 1.00 0.00 H new ATOM 0 HE2 TYR A 54 3.060 -11.345 4.574 1.00 0.00 H new ATOM 0 HH TYR A 54 3.041 -13.442 5.265 1.00 0.00 H new ATOM 765 N TRP A 55 -0.326 -8.555 -1.188 1.00 0.00 N ATOM 766 CA TRP A 55 -0.682 -7.314 -1.864 1.00 0.00 C ATOM 767 C TRP A 55 -0.539 -6.122 -0.924 1.00 0.00 C ATOM 768 O TRP A 55 -0.538 -6.278 0.297 1.00 0.00 O ATOM 769 CB TRP A 55 -2.115 -7.392 -2.396 1.00 0.00 C ATOM 770 CG TRP A 55 -2.318 -8.497 -3.387 1.00 0.00 C ATOM 771 CD1 TRP A 55 -2.477 -9.825 -3.112 1.00 0.00 C ATOM 772 CD2 TRP A 55 -2.380 -8.371 -4.812 1.00 0.00 C ATOM 773 NE1 TRP A 55 -2.636 -10.532 -4.279 1.00 0.00 N ATOM 774 CE2 TRP A 55 -2.580 -9.662 -5.336 1.00 0.00 C ATOM 775 CE3 TRP A 55 -2.288 -7.292 -5.694 1.00 0.00 C ATOM 776 CZ2 TRP A 55 -2.688 -9.901 -6.704 1.00 0.00 C ATOM 777 CZ3 TRP A 55 -2.396 -7.531 -7.052 1.00 0.00 C ATOM 778 CH2 TRP A 55 -2.594 -8.826 -7.545 1.00 0.00 C ATOM 0 H TRP A 55 -1.027 -8.893 -0.529 1.00 0.00 H new ATOM 0 HA TRP A 55 0.002 -7.176 -2.702 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.799 -7.533 -1.559 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -2.374 -6.442 -2.863 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -2.478 -10.256 -2.122 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -2.773 -11.540 -4.347 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.135 -6.289 -5.322 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -2.840 -10.899 -7.087 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.326 -6.704 -7.744 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -2.674 -8.980 -8.611 1.00 0.00 H new ATOM 789 N TYR A 56 -0.414 -4.931 -1.501 1.00 0.00 N ATOM 790 CA TYR A 56 -0.266 -3.712 -0.715 1.00 0.00 C ATOM 791 C TYR A 56 -1.466 -2.789 -0.907 1.00 0.00 C ATOM 792 O TYR A 56 -1.726 -2.315 -2.013 1.00 0.00 O ATOM 793 CB TYR A 56 1.020 -2.981 -1.105 1.00 0.00 C ATOM 794 CG TYR A 56 2.279 -3.701 -0.679 1.00 0.00 C ATOM 795 CD1 TYR A 56 2.610 -4.939 -1.216 1.00 0.00 C ATOM 796 CD2 TYR A 56 3.138 -3.144 0.260 1.00 0.00 C ATOM 797 CE1 TYR A 56 3.760 -5.601 -0.829 1.00 0.00 C ATOM 798 CE2 TYR A 56 4.290 -3.799 0.652 1.00 0.00 C ATOM 799 CZ TYR A 56 4.596 -5.026 0.103 1.00 0.00 C ATOM 800 OH TYR A 56 5.743 -5.681 0.490 1.00 0.00 O ATOM 0 H TYR A 56 -0.412 -4.784 -2.510 1.00 0.00 H new ATOM 0 HA TYR A 56 -0.212 -3.994 0.337 1.00 0.00 H new ATOM 0 HB2 TYR A 56 1.037 -2.846 -2.186 1.00 0.00 H new ATOM 0 HB3 TYR A 56 1.012 -1.986 -0.659 1.00 0.00 H new ATOM 0 HD1 TYR A 56 1.958 -5.392 -1.948 1.00 0.00 H new ATOM 0 HD2 TYR A 56 2.901 -2.182 0.691 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.002 -6.564 -1.255 1.00 0.00 H new ATOM 0 HE2 TYR A 56 4.947 -3.352 1.384 1.00 0.00 H new ATOM 0 HH TYR A 56 5.509 -6.438 1.066 1.00 0.00 H new ATOM 810 N GLY A 57 -2.191 -2.538 0.178 1.00 0.00 N ATOM 811 CA GLY A 57 -3.353 -1.672 0.108 1.00 0.00 C ATOM 812 C GLY A 57 -2.978 -0.202 0.116 1.00 0.00 C ATOM 813 O GLY A 57 -3.258 0.511 1.080 1.00 0.00 O ATOM 0 H GLY A 57 -1.995 -2.919 1.104 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.916 -1.896 -0.798 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -4.011 -1.881 0.952 1.00 0.00 H new ATOM 817 N ILE A 58 -2.343 0.250 -0.958 1.00 0.00 N ATOM 818 CA ILE A 58 -1.927 1.642 -1.072 1.00 0.00 C ATOM 819 C ILE A 58 -3.121 2.555 -1.322 1.00 0.00 C ATOM 820 O ILE A 58 -4.010 2.230 -2.110 1.00 0.00 O ATOM 821 CB ILE A 58 -0.903 1.832 -2.208 1.00 0.00 C ATOM 822 CG1 ILE A 58 0.227 0.809 -2.084 1.00 0.00 C ATOM 823 CG2 ILE A 58 -0.346 3.248 -2.189 1.00 0.00 C ATOM 824 CD1 ILE A 58 1.150 0.782 -3.283 1.00 0.00 C ATOM 0 H ILE A 58 -2.105 -0.328 -1.764 1.00 0.00 H new ATOM 0 HA ILE A 58 -1.461 1.910 -0.124 1.00 0.00 H new ATOM 0 HB ILE A 58 -1.408 1.673 -3.161 1.00 0.00 H new ATOM 0 HG12 ILE A 58 0.811 1.031 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -0.204 -0.182 -1.945 1.00 0.00 H new ATOM 0 HG21 ILE A 58 0.376 3.366 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -1.160 3.961 -2.322 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.146 3.433 -1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 58 1.927 0.034 -3.127 1.00 0.00 H new ATOM 0 HD12 ILE A 58 0.579 0.530 -4.176 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.610 1.762 -3.410 1.00 0.00 H new ATOM 836 N GLU A 59 -3.136 3.700 -0.648 1.00 0.00 N ATOM 837 CA GLU A 59 -4.220 4.663 -0.797 1.00 0.00 C ATOM 838 C GLU A 59 -3.778 5.848 -1.649 1.00 0.00 C ATOM 839 O GLU A 59 -3.001 6.692 -1.202 1.00 0.00 O ATOM 840 CB GLU A 59 -4.688 5.153 0.575 1.00 0.00 C ATOM 841 CG GLU A 59 -5.978 5.956 0.527 1.00 0.00 C ATOM 842 CD GLU A 59 -5.770 7.416 0.879 1.00 0.00 C ATOM 843 OE1 GLU A 59 -4.636 7.913 0.706 1.00 0.00 O ATOM 844 OE2 GLU A 59 -6.740 8.063 1.327 1.00 0.00 O ATOM 0 H GLU A 59 -2.408 3.984 0.008 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.050 4.165 -1.299 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -4.829 4.293 1.230 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.904 5.767 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.409 5.885 -0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -6.699 5.519 1.217 1.00 0.00 H new ATOM 851 N LEU A 60 -4.279 5.906 -2.879 1.00 0.00 N ATOM 852 CA LEU A 60 -3.935 6.987 -3.795 1.00 0.00 C ATOM 853 C LEU A 60 -4.344 8.340 -3.221 1.00 0.00 C ATOM 854 O LEU A 60 -5.042 8.410 -2.209 1.00 0.00 O ATOM 855 CB LEU A 60 -4.612 6.771 -5.150 1.00 0.00 C ATOM 856 CG LEU A 60 -4.210 5.488 -5.878 1.00 0.00 C ATOM 857 CD1 LEU A 60 -5.208 5.162 -6.977 1.00 0.00 C ATOM 858 CD2 LEU A 60 -2.807 5.619 -6.451 1.00 0.00 C ATOM 0 H LEU A 60 -4.925 5.217 -3.264 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.854 6.982 -3.931 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.692 6.763 -5.002 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.384 7.622 -5.792 1.00 0.00 H new ATOM 0 HG LEU A 60 -4.213 4.669 -5.159 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.905 4.246 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.198 5.025 -6.541 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.238 5.981 -7.696 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.537 4.697 -6.966 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.778 6.450 -7.156 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.100 5.804 -5.643 1.00 0.00 H new ATOM 870 N ASP A 61 -3.906 9.411 -3.874 1.00 0.00 N ATOM 871 CA ASP A 61 -4.226 10.762 -3.429 1.00 0.00 C ATOM 872 C ASP A 61 -5.365 11.351 -4.255 1.00 0.00 C ATOM 873 O ASP A 61 -6.157 12.150 -3.758 1.00 0.00 O ATOM 874 CB ASP A 61 -2.991 11.660 -3.527 1.00 0.00 C ATOM 875 CG ASP A 61 -2.195 11.692 -2.237 1.00 0.00 C ATOM 876 OD1 ASP A 61 -2.789 11.991 -1.179 1.00 0.00 O ATOM 877 OD2 ASP A 61 -0.978 11.415 -2.284 1.00 0.00 O ATOM 0 H ASP A 61 -3.328 9.369 -4.714 1.00 0.00 H new ATOM 0 HA ASP A 61 -4.546 10.709 -2.388 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.352 11.307 -4.336 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -3.301 12.673 -3.784 1.00 0.00 H new ATOM 882 N GLN A 62 -5.439 10.951 -5.522 1.00 0.00 N ATOM 883 CA GLN A 62 -6.480 11.440 -6.419 1.00 0.00 C ATOM 884 C GLN A 62 -7.329 10.285 -6.947 1.00 0.00 C ATOM 885 O GLN A 62 -6.831 9.176 -7.139 1.00 0.00 O ATOM 886 CB GLN A 62 -5.857 12.206 -7.587 1.00 0.00 C ATOM 887 CG GLN A 62 -5.063 13.429 -7.158 1.00 0.00 C ATOM 888 CD GLN A 62 -5.760 14.730 -7.509 1.00 0.00 C ATOM 889 OE1 GLN A 62 -5.893 15.622 -6.670 1.00 0.00 O ATOM 890 NE2 GLN A 62 -6.209 14.844 -8.753 1.00 0.00 N ATOM 0 H GLN A 62 -4.790 10.290 -5.950 1.00 0.00 H new ATOM 0 HA GLN A 62 -7.125 12.114 -5.855 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -5.202 11.535 -8.143 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -6.648 12.518 -8.269 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.896 13.390 -6.082 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.083 13.406 -7.634 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -6.077 14.079 -9.415 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -6.686 15.696 -9.047 1.00 0.00 H new ATOM 899 N PRO A 63 -8.629 10.533 -7.189 1.00 0.00 N ATOM 900 CA PRO A 63 -9.545 9.507 -7.698 1.00 0.00 C ATOM 901 C PRO A 63 -9.021 8.836 -8.963 1.00 0.00 C ATOM 902 O PRO A 63 -9.287 9.294 -10.076 1.00 0.00 O ATOM 903 CB PRO A 63 -10.827 10.288 -7.998 1.00 0.00 C ATOM 904 CG PRO A 63 -10.763 11.480 -7.109 1.00 0.00 C ATOM 905 CD PRO A 63 -9.305 11.828 -6.988 1.00 0.00 C ATOM 0 HA PRO A 63 -9.683 8.696 -6.983 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -10.876 10.579 -9.047 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -11.713 9.688 -7.792 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -11.329 12.311 -7.529 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -11.195 11.262 -6.132 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -9.003 12.560 -7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -9.073 12.256 -6.013 1.00 0.00 H new ATOM 913 N THR A 64 -8.277 7.751 -8.788 1.00 0.00 N ATOM 914 CA THR A 64 -7.716 7.017 -9.916 1.00 0.00 C ATOM 915 C THR A 64 -7.236 5.635 -9.482 1.00 0.00 C ATOM 916 O THR A 64 -6.195 5.158 -9.932 1.00 0.00 O ATOM 917 CB THR A 64 -6.557 7.800 -10.536 1.00 0.00 C ATOM 918 OG1 THR A 64 -5.939 7.050 -11.567 1.00 0.00 O ATOM 919 CG2 THR A 64 -5.486 8.177 -9.537 1.00 0.00 C ATOM 0 H THR A 64 -8.048 7.359 -7.875 1.00 0.00 H new ATOM 0 HA THR A 64 -8.501 6.892 -10.662 1.00 0.00 H new ATOM 0 HB THR A 64 -7.004 8.714 -10.926 1.00 0.00 H new ATOM 0 HG1 THR A 64 -5.583 6.216 -11.196 1.00 0.00 H new ATOM 0 HG21 THR A 64 -4.695 8.730 -10.043 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.921 8.800 -8.755 1.00 0.00 H new ATOM 0 HG23 THR A 64 -5.070 7.273 -9.092 1.00 0.00 H new ATOM 927 N GLY A 65 -8.005 4.997 -8.606 1.00 0.00 N ATOM 928 CA GLY A 65 -7.644 3.676 -8.126 1.00 0.00 C ATOM 929 C GLY A 65 -8.419 2.574 -8.821 1.00 0.00 C ATOM 930 O GLY A 65 -8.787 2.707 -9.988 1.00 0.00 O ATOM 0 H GLY A 65 -8.872 5.371 -8.220 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -6.577 3.517 -8.278 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.824 3.621 -7.052 1.00 0.00 H new ATOM 934 N LYS A 66 -8.665 1.483 -8.104 1.00 0.00 N ATOM 935 CA LYS A 66 -9.400 0.352 -8.658 1.00 0.00 C ATOM 936 C LYS A 66 -10.648 0.057 -7.833 1.00 0.00 C ATOM 937 O LYS A 66 -11.719 -0.207 -8.381 1.00 0.00 O ATOM 938 CB LYS A 66 -8.502 -0.887 -8.716 1.00 0.00 C ATOM 939 CG LYS A 66 -8.127 -1.301 -10.130 1.00 0.00 C ATOM 940 CD LYS A 66 -8.183 -2.810 -10.305 1.00 0.00 C ATOM 941 CE LYS A 66 -6.800 -3.434 -10.220 1.00 0.00 C ATOM 942 NZ LYS A 66 -6.769 -4.800 -10.813 1.00 0.00 N ATOM 0 H LYS A 66 -8.366 1.358 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 66 -9.712 0.612 -9.670 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -7.591 -0.692 -8.150 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -9.011 -1.717 -8.226 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -8.804 -0.826 -10.840 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -7.123 -0.945 -10.360 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -8.826 -3.242 -9.538 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -8.632 -3.049 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.082 -2.797 -10.737 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.488 -3.484 -9.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -5.808 -5.191 -10.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -7.435 -5.415 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -7.042 -4.750 -11.815 1.00 0.00 H new ATOM 956 N HIS A 67 -10.503 0.102 -6.513 1.00 0.00 N ATOM 957 CA HIS A 67 -11.620 -0.160 -5.612 1.00 0.00 C ATOM 958 C HIS A 67 -11.766 0.959 -4.586 1.00 0.00 C ATOM 959 O HIS A 67 -10.918 1.847 -4.496 1.00 0.00 O ATOM 960 CB HIS A 67 -11.422 -1.499 -4.899 1.00 0.00 C ATOM 961 CG HIS A 67 -10.094 -1.623 -4.219 1.00 0.00 C ATOM 962 ND1 HIS A 67 -9.931 -1.670 -2.853 1.00 0.00 N ATOM 963 CD2 HIS A 67 -8.846 -1.711 -4.747 1.00 0.00 C ATOM 964 CE1 HIS A 67 -8.621 -1.782 -2.598 1.00 0.00 C ATOM 965 NE2 HIS A 67 -7.918 -1.812 -3.715 1.00 0.00 N ATOM 0 H HIS A 67 -9.624 0.317 -6.043 1.00 0.00 H new ATOM 0 HA HIS A 67 -12.532 -0.203 -6.207 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -12.213 -1.629 -4.160 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -11.527 -2.306 -5.624 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -8.611 -1.704 -5.801 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -8.195 -1.840 -1.607 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -6.905 -1.892 -3.803 1.00 0.00 H new ATOM 973 N ASP A 68 -12.848 0.910 -3.815 1.00 0.00 N ATOM 974 CA ASP A 68 -13.105 1.920 -2.796 1.00 0.00 C ATOM 975 C ASP A 68 -12.669 1.428 -1.419 1.00 0.00 C ATOM 976 O ASP A 68 -13.286 1.759 -0.407 1.00 0.00 O ATOM 977 CB ASP A 68 -14.591 2.285 -2.773 1.00 0.00 C ATOM 978 CG ASP A 68 -15.105 2.702 -4.137 1.00 0.00 C ATOM 979 OD1 ASP A 68 -15.401 1.810 -4.959 1.00 0.00 O ATOM 980 OD2 ASP A 68 -15.210 3.923 -4.383 1.00 0.00 O ATOM 0 H ASP A 68 -13.560 0.182 -3.877 1.00 0.00 H new ATOM 0 HA ASP A 68 -12.524 2.808 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -15.167 1.431 -2.416 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -14.752 3.097 -2.063 1.00 0.00 H new ATOM 985 N GLY A 69 -11.603 0.634 -1.391 1.00 0.00 N ATOM 986 CA GLY A 69 -11.104 0.110 -0.133 1.00 0.00 C ATOM 987 C GLY A 69 -11.556 -1.315 0.122 1.00 0.00 C ATOM 988 O GLY A 69 -10.775 -2.148 0.583 1.00 0.00 O ATOM 0 H GLY A 69 -11.077 0.345 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.015 0.148 -0.134 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.444 0.747 0.683 1.00 0.00 H new ATOM 992 N SER A 70 -12.820 -1.596 -0.178 1.00 0.00 N ATOM 993 CA SER A 70 -13.375 -2.930 0.022 1.00 0.00 C ATOM 994 C SER A 70 -13.523 -3.663 -1.307 1.00 0.00 C ATOM 995 O SER A 70 -13.758 -3.045 -2.346 1.00 0.00 O ATOM 996 CB SER A 70 -14.731 -2.840 0.723 1.00 0.00 C ATOM 997 OG SER A 70 -15.643 -2.059 -0.028 1.00 0.00 O ATOM 0 H SER A 70 -13.479 -0.918 -0.560 1.00 0.00 H new ATOM 0 HA SER A 70 -12.685 -3.493 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 70 -15.137 -3.841 0.866 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.603 -2.403 1.714 1.00 0.00 H new ATOM 0 HG SER A 70 -16.503 -2.019 0.441 1.00 0.00 H new ATOM 1003 N VAL A 71 -13.383 -4.984 -1.266 1.00 0.00 N ATOM 1004 CA VAL A 71 -13.502 -5.802 -2.467 1.00 0.00 C ATOM 1005 C VAL A 71 -14.350 -7.042 -2.205 1.00 0.00 C ATOM 1006 O VAL A 71 -14.042 -7.842 -1.322 1.00 0.00 O ATOM 1007 CB VAL A 71 -12.120 -6.240 -2.987 1.00 0.00 C ATOM 1008 CG1 VAL A 71 -12.249 -6.920 -4.341 1.00 0.00 C ATOM 1009 CG2 VAL A 71 -11.178 -5.048 -3.068 1.00 0.00 C ATOM 0 H VAL A 71 -13.187 -5.510 -0.415 1.00 0.00 H new ATOM 0 HA VAL A 71 -13.988 -5.185 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.699 -6.959 -2.285 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -11.262 -7.222 -4.692 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -12.886 -7.800 -4.247 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.691 -6.226 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -10.206 -5.376 -3.437 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -11.592 -4.303 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -11.060 -4.609 -2.077 1.00 0.00 H new ATOM 1019 N PHE A 72 -15.420 -7.195 -2.979 1.00 0.00 N ATOM 1020 CA PHE A 72 -16.313 -8.337 -2.831 1.00 0.00 C ATOM 1021 C PHE A 72 -16.926 -8.372 -1.434 1.00 0.00 C ATOM 1022 O PHE A 72 -17.170 -9.443 -0.879 1.00 0.00 O ATOM 1023 CB PHE A 72 -15.559 -9.640 -3.103 1.00 0.00 C ATOM 1024 CG PHE A 72 -15.314 -9.899 -4.562 1.00 0.00 C ATOM 1025 CD1 PHE A 72 -16.375 -10.009 -5.447 1.00 0.00 C ATOM 1026 CD2 PHE A 72 -14.024 -10.033 -5.048 1.00 0.00 C ATOM 1027 CE1 PHE A 72 -16.153 -10.248 -6.790 1.00 0.00 C ATOM 1028 CE2 PHE A 72 -13.796 -10.271 -6.390 1.00 0.00 C ATOM 1029 CZ PHE A 72 -14.862 -10.379 -7.262 1.00 0.00 C ATOM 0 H PHE A 72 -15.689 -6.542 -3.715 1.00 0.00 H new ATOM 0 HA PHE A 72 -17.118 -8.233 -3.558 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -14.602 -9.612 -2.582 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -16.126 -10.472 -2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -17.387 -9.907 -5.083 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -13.187 -9.951 -4.371 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -16.988 -10.332 -7.469 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -12.785 -10.372 -6.757 1.00 0.00 H new ATOM 0 HZ PHE A 72 -14.686 -10.566 -8.311 1.00 0.00 H new ATOM 1039 N GLY A 73 -17.172 -7.193 -0.873 1.00 0.00 N ATOM 1040 CA GLY A 73 -17.754 -7.111 0.455 1.00 0.00 C ATOM 1041 C GLY A 73 -16.728 -7.311 1.552 1.00 0.00 C ATOM 1042 O GLY A 73 -17.059 -7.774 2.643 1.00 0.00 O ATOM 0 H GLY A 73 -16.979 -6.293 -1.313 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -18.230 -6.138 0.580 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -18.536 -7.864 0.552 1.00 0.00 H new ATOM 1046 N VAL A 74 -15.478 -6.962 1.263 1.00 0.00 N ATOM 1047 CA VAL A 74 -14.400 -7.106 2.234 1.00 0.00 C ATOM 1048 C VAL A 74 -13.573 -5.828 2.329 1.00 0.00 C ATOM 1049 O VAL A 74 -12.718 -5.567 1.483 1.00 0.00 O ATOM 1050 CB VAL A 74 -13.472 -8.280 1.873 1.00 0.00 C ATOM 1051 CG1 VAL A 74 -12.480 -8.541 2.995 1.00 0.00 C ATOM 1052 CG2 VAL A 74 -14.286 -9.529 1.569 1.00 0.00 C ATOM 0 H VAL A 74 -15.187 -6.578 0.364 1.00 0.00 H new ATOM 0 HA VAL A 74 -14.867 -7.306 3.198 1.00 0.00 H new ATOM 0 HB VAL A 74 -12.910 -8.014 0.978 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -11.833 -9.374 2.722 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.874 -7.650 3.160 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -13.021 -8.786 3.909 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -13.614 -10.349 1.316 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -14.876 -9.801 2.444 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -14.952 -9.334 0.729 1.00 0.00 H new ATOM 1062 N ARG A 75 -13.833 -5.035 3.363 1.00 0.00 N ATOM 1063 CA ARG A 75 -13.114 -3.785 3.568 1.00 0.00 C ATOM 1064 C ARG A 75 -11.724 -4.043 4.145 1.00 0.00 C ATOM 1065 O ARG A 75 -11.587 -4.610 5.229 1.00 0.00 O ATOM 1066 CB ARG A 75 -13.902 -2.866 4.503 1.00 0.00 C ATOM 1067 CG ARG A 75 -13.399 -1.432 4.514 1.00 0.00 C ATOM 1068 CD ARG A 75 -14.302 -0.533 5.344 1.00 0.00 C ATOM 1069 NE ARG A 75 -14.218 0.864 4.924 1.00 0.00 N ATOM 1070 CZ ARG A 75 -14.683 1.318 3.763 1.00 0.00 C ATOM 1071 NH1 ARG A 75 -15.264 0.492 2.904 1.00 0.00 N ATOM 1072 NH2 ARG A 75 -14.565 2.604 3.461 1.00 0.00 N ATOM 0 H ARG A 75 -14.537 -5.237 4.072 1.00 0.00 H new ATOM 0 HA ARG A 75 -13.002 -3.298 2.599 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -14.951 -2.872 4.206 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.856 -3.266 5.516 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -12.386 -1.403 4.916 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.348 -1.055 3.493 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.333 -0.876 5.258 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -14.026 -0.613 6.395 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.777 1.530 5.558 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.357 -0.498 3.131 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -15.618 0.847 2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -14.118 3.243 4.118 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -14.921 2.954 2.571 1.00 0.00 H new ATOM 1086 N TYR A 76 -10.698 -3.625 3.412 1.00 0.00 N ATOM 1087 CA TYR A 76 -9.320 -3.810 3.849 1.00 0.00 C ATOM 1088 C TYR A 76 -8.829 -2.592 4.627 1.00 0.00 C ATOM 1089 O TYR A 76 -8.267 -2.724 5.715 1.00 0.00 O ATOM 1090 CB TYR A 76 -8.411 -4.061 2.645 1.00 0.00 C ATOM 1091 CG TYR A 76 -8.808 -5.271 1.830 1.00 0.00 C ATOM 1092 CD1 TYR A 76 -9.934 -5.246 1.016 1.00 0.00 C ATOM 1093 CD2 TYR A 76 -8.056 -6.439 1.872 1.00 0.00 C ATOM 1094 CE1 TYR A 76 -10.300 -6.350 0.269 1.00 0.00 C ATOM 1095 CE2 TYR A 76 -8.416 -7.547 1.129 1.00 0.00 C ATOM 1096 CZ TYR A 76 -9.538 -7.497 0.329 1.00 0.00 C ATOM 1097 OH TYR A 76 -9.899 -8.599 -0.413 1.00 0.00 O ATOM 0 H TYR A 76 -10.795 -3.155 2.512 1.00 0.00 H new ATOM 0 HA TYR A 76 -9.286 -4.678 4.508 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -8.422 -3.181 2.002 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -7.386 -4.188 2.994 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -10.533 -4.349 0.966 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -7.175 -6.481 2.496 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -11.178 -6.314 -0.358 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -7.822 -8.448 1.175 1.00 0.00 H new ATOM 0 HH TYR A 76 -9.500 -8.537 -1.306 1.00 0.00 H new ATOM 1107 N PHE A 77 -9.046 -1.409 4.062 1.00 0.00 N ATOM 1108 CA PHE A 77 -8.627 -0.168 4.703 1.00 0.00 C ATOM 1109 C PHE A 77 -9.577 0.972 4.347 1.00 0.00 C ATOM 1110 O PHE A 77 -10.332 0.884 3.380 1.00 0.00 O ATOM 1111 CB PHE A 77 -7.200 0.192 4.286 1.00 0.00 C ATOM 1112 CG PHE A 77 -6.968 0.115 2.803 1.00 0.00 C ATOM 1113 CD1 PHE A 77 -6.658 -1.094 2.199 1.00 0.00 C ATOM 1114 CD2 PHE A 77 -7.061 1.250 2.014 1.00 0.00 C ATOM 1115 CE1 PHE A 77 -6.445 -1.167 0.836 1.00 0.00 C ATOM 1116 CE2 PHE A 77 -6.848 1.183 0.650 1.00 0.00 C ATOM 1117 CZ PHE A 77 -6.540 -0.028 0.060 1.00 0.00 C ATOM 0 H PHE A 77 -9.509 -1.284 3.162 1.00 0.00 H new ATOM 0 HA PHE A 77 -8.653 -0.318 5.782 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -6.974 1.202 4.628 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.503 -0.478 4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -6.582 -1.988 2.800 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -7.303 2.199 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -6.204 -2.115 0.377 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -6.922 2.076 0.046 1.00 0.00 H new ATOM 0 HZ PHE A 77 -6.374 -0.084 -1.006 1.00 0.00 H new ATOM 1127 N THR A 78 -9.534 2.039 5.137 1.00 0.00 N ATOM 1128 CA THR A 78 -10.392 3.196 4.905 1.00 0.00 C ATOM 1129 C THR A 78 -9.728 4.186 3.953 1.00 0.00 C ATOM 1130 O THR A 78 -8.765 4.862 4.316 1.00 0.00 O ATOM 1131 CB THR A 78 -10.726 3.886 6.230 1.00 0.00 C ATOM 1132 OG1 THR A 78 -9.759 3.572 7.217 1.00 0.00 O ATOM 1133 CG2 THR A 78 -12.085 3.505 6.777 1.00 0.00 C ATOM 0 H THR A 78 -8.915 2.127 5.943 1.00 0.00 H new ATOM 0 HA THR A 78 -11.316 2.844 4.445 1.00 0.00 H new ATOM 0 HB THR A 78 -10.729 4.953 6.008 1.00 0.00 H new ATOM 0 HG1 THR A 78 -9.989 4.024 8.056 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.259 4.029 7.717 1.00 0.00 H new ATOM 0 HG22 THR A 78 -12.857 3.782 6.059 1.00 0.00 H new ATOM 0 HG23 THR A 78 -12.119 2.429 6.949 1.00 0.00 H new ATOM 1141 N CYS A 79 -10.248 4.266 2.733 1.00 0.00 N ATOM 1142 CA CYS A 79 -9.706 5.173 1.727 1.00 0.00 C ATOM 1143 C CYS A 79 -10.822 5.956 1.044 1.00 0.00 C ATOM 1144 O CYS A 79 -12.004 5.707 1.282 1.00 0.00 O ATOM 1145 CB CYS A 79 -8.903 4.392 0.686 1.00 0.00 C ATOM 1146 SG CYS A 79 -9.883 3.213 -0.271 1.00 0.00 S ATOM 0 H CYS A 79 -11.045 3.713 2.416 1.00 0.00 H new ATOM 0 HA CYS A 79 -9.045 5.880 2.229 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -8.433 5.098 0.001 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -8.100 3.855 1.191 1.00 0.00 H new ATOM 0 HG CYS A 79 -10.616 3.855 -1.131 1.00 0.00 H new ATOM 1152 N ALA A 80 -10.439 6.902 0.193 1.00 0.00 N ATOM 1153 CA ALA A 80 -11.408 7.721 -0.525 1.00 0.00 C ATOM 1154 C ALA A 80 -11.937 6.991 -1.758 1.00 0.00 C ATOM 1155 O ALA A 80 -11.379 5.976 -2.175 1.00 0.00 O ATOM 1156 CB ALA A 80 -10.784 9.051 -0.921 1.00 0.00 C ATOM 0 H ALA A 80 -9.465 7.120 -0.016 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.250 7.912 0.140 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -11.519 9.652 -1.456 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.463 9.583 -0.026 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.923 8.872 -1.565 1.00 0.00 H new ATOM 1162 N PRO A 81 -13.025 7.501 -2.358 1.00 0.00 N ATOM 1163 CA PRO A 81 -13.628 6.893 -3.548 1.00 0.00 C ATOM 1164 C PRO A 81 -12.620 6.709 -4.678 1.00 0.00 C ATOM 1165 O PRO A 81 -12.066 7.679 -5.194 1.00 0.00 O ATOM 1166 CB PRO A 81 -14.711 7.896 -3.958 1.00 0.00 C ATOM 1167 CG PRO A 81 -15.034 8.637 -2.707 1.00 0.00 C ATOM 1168 CD PRO A 81 -13.753 8.708 -1.926 1.00 0.00 C ATOM 0 HA PRO A 81 -14.012 5.894 -3.341 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.352 8.570 -4.736 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -15.590 7.389 -4.356 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.410 9.635 -2.931 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -15.810 8.124 -2.139 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -13.195 9.617 -2.151 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -13.936 8.704 -0.852 1.00 0.00 H new ATOM 1176 N ARG A 82 -12.388 5.456 -5.057 1.00 0.00 N ATOM 1177 CA ARG A 82 -11.447 5.144 -6.126 1.00 0.00 C ATOM 1178 C ARG A 82 -10.040 5.619 -5.771 1.00 0.00 C ATOM 1179 O ARG A 82 -9.403 6.339 -6.540 1.00 0.00 O ATOM 1180 CB ARG A 82 -11.901 5.788 -7.438 1.00 0.00 C ATOM 1181 CG ARG A 82 -13.242 5.271 -7.936 1.00 0.00 C ATOM 1182 CD ARG A 82 -14.380 6.190 -7.523 1.00 0.00 C ATOM 1183 NE ARG A 82 -15.621 5.878 -8.228 1.00 0.00 N ATOM 1184 CZ ARG A 82 -16.686 6.676 -8.246 1.00 0.00 C ATOM 1185 NH1 ARG A 82 -16.667 7.834 -7.597 1.00 0.00 N ATOM 1186 NH2 ARG A 82 -17.773 6.316 -8.914 1.00 0.00 N ATOM 0 H ARG A 82 -12.838 4.641 -4.640 1.00 0.00 H new ATOM 0 HA ARG A 82 -11.423 4.061 -6.250 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -11.965 6.867 -7.300 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -11.145 5.608 -8.202 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -13.219 5.184 -9.022 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -13.418 4.271 -7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -14.543 6.105 -6.449 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -14.101 7.225 -7.722 1.00 0.00 H new ATOM 0 HE ARG A 82 -15.674 4.996 -8.737 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -15.833 8.116 -7.081 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -17.486 8.442 -7.614 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -17.793 5.427 -9.414 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -18.589 6.928 -8.928 1.00 0.00 H new ATOM 1200 N HIS A 83 -9.562 5.209 -4.601 1.00 0.00 N ATOM 1201 CA HIS A 83 -8.230 5.592 -4.143 1.00 0.00 C ATOM 1202 C HIS A 83 -7.376 4.360 -3.861 1.00 0.00 C ATOM 1203 O HIS A 83 -6.195 4.319 -4.209 1.00 0.00 O ATOM 1204 CB HIS A 83 -8.328 6.458 -2.887 1.00 0.00 C ATOM 1205 CG HIS A 83 -8.563 7.908 -3.176 1.00 0.00 C ATOM 1206 ND1 HIS A 83 -8.027 8.936 -2.435 1.00 0.00 N ATOM 1207 CD2 HIS A 83 -9.294 8.495 -4.157 1.00 0.00 C ATOM 1208 CE1 HIS A 83 -8.440 10.090 -2.974 1.00 0.00 C ATOM 1209 NE2 HIS A 83 -9.211 9.878 -4.023 1.00 0.00 N ATOM 0 H HIS A 83 -10.076 4.612 -3.953 1.00 0.00 H new ATOM 0 HA HIS A 83 -7.753 6.168 -4.936 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -9.138 6.085 -2.261 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -7.408 6.355 -2.312 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -9.851 7.972 -4.920 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -8.176 11.068 -2.599 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -9.654 10.582 -4.614 1.00 0.00 H new ATOM 1217 N GLY A 84 -7.980 3.359 -3.230 1.00 0.00 N ATOM 1218 CA GLY A 84 -7.257 2.140 -2.914 1.00 0.00 C ATOM 1219 C GLY A 84 -6.812 1.393 -4.156 1.00 0.00 C ATOM 1220 O GLY A 84 -7.517 1.378 -5.165 1.00 0.00 O ATOM 0 H GLY A 84 -8.955 3.369 -2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.384 2.385 -2.309 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.891 1.491 -2.311 1.00 0.00 H new ATOM 1224 N VAL A 85 -5.640 0.771 -4.082 1.00 0.00 N ATOM 1225 CA VAL A 85 -5.103 0.019 -5.209 1.00 0.00 C ATOM 1226 C VAL A 85 -4.181 -1.098 -4.734 1.00 0.00 C ATOM 1227 O VAL A 85 -3.184 -0.848 -4.057 1.00 0.00 O ATOM 1228 CB VAL A 85 -4.327 0.934 -6.176 1.00 0.00 C ATOM 1229 CG1 VAL A 85 -5.280 1.856 -6.921 1.00 0.00 C ATOM 1230 CG2 VAL A 85 -3.276 1.736 -5.424 1.00 0.00 C ATOM 0 H VAL A 85 -5.045 0.773 -3.254 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.954 -0.414 -5.735 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.818 0.308 -6.909 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.713 2.494 -7.599 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.990 1.259 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.820 2.476 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.738 2.376 -6.123 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -3.761 2.352 -4.667 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.574 1.055 -4.942 1.00 0.00 H new ATOM 1240 N PHE A 86 -4.521 -2.332 -5.094 1.00 0.00 N ATOM 1241 CA PHE A 86 -3.723 -3.489 -4.705 1.00 0.00 C ATOM 1242 C PHE A 86 -2.833 -3.949 -5.855 1.00 0.00 C ATOM 1243 O PHE A 86 -3.323 -4.331 -6.918 1.00 0.00 O ATOM 1244 CB PHE A 86 -4.635 -4.634 -4.260 1.00 0.00 C ATOM 1245 CG PHE A 86 -4.869 -4.673 -2.777 1.00 0.00 C ATOM 1246 CD1 PHE A 86 -3.804 -4.649 -1.892 1.00 0.00 C ATOM 1247 CD2 PHE A 86 -6.157 -4.733 -2.268 1.00 0.00 C ATOM 1248 CE1 PHE A 86 -4.017 -4.684 -0.527 1.00 0.00 C ATOM 1249 CE2 PHE A 86 -6.376 -4.769 -0.904 1.00 0.00 C ATOM 1250 CZ PHE A 86 -5.305 -4.745 -0.032 1.00 0.00 C ATOM 0 H PHE A 86 -5.343 -2.556 -5.654 1.00 0.00 H new ATOM 0 HA PHE A 86 -3.084 -3.196 -3.872 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -5.595 -4.542 -4.769 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -4.196 -5.581 -4.575 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -2.795 -4.602 -2.273 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -6.998 -4.752 -2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -3.177 -4.664 0.152 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -7.384 -4.816 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 86 -5.474 -4.774 1.034 1.00 0.00 H new ATOM 1260 N ALA A 87 -1.523 -3.911 -5.636 1.00 0.00 N ATOM 1261 CA ALA A 87 -0.565 -4.325 -6.653 1.00 0.00 C ATOM 1262 C ALA A 87 0.588 -5.112 -6.034 1.00 0.00 C ATOM 1263 O ALA A 87 1.002 -4.837 -4.908 1.00 0.00 O ATOM 1264 CB ALA A 87 -0.036 -3.112 -7.404 1.00 0.00 C ATOM 0 H ALA A 87 -1.101 -3.597 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 87 -1.079 -4.979 -7.357 1.00 0.00 H new ATOM 0 HB1 ALA A 87 0.679 -3.436 -8.161 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -0.864 -2.593 -7.886 1.00 0.00 H new ATOM 0 HB3 ALA A 87 0.457 -2.437 -6.704 1.00 0.00 H new ATOM 1270 N PRO A 88 1.124 -6.109 -6.763 1.00 0.00 N ATOM 1271 CA PRO A 88 2.234 -6.934 -6.273 1.00 0.00 C ATOM 1272 C PRO A 88 3.456 -6.100 -5.901 1.00 0.00 C ATOM 1273 O PRO A 88 3.817 -5.162 -6.610 1.00 0.00 O ATOM 1274 CB PRO A 88 2.558 -7.850 -7.459 1.00 0.00 C ATOM 1275 CG PRO A 88 1.318 -7.862 -8.286 1.00 0.00 C ATOM 1276 CD PRO A 88 0.694 -6.507 -8.114 1.00 0.00 C ATOM 0 HA PRO A 88 1.965 -7.472 -5.364 1.00 0.00 H new ATOM 0 HB2 PRO A 88 3.408 -7.474 -8.028 1.00 0.00 H new ATOM 0 HB3 PRO A 88 2.818 -8.854 -7.123 1.00 0.00 H new ATOM 0 HG2 PRO A 88 1.549 -8.055 -9.334 1.00 0.00 H new ATOM 0 HG3 PRO A 88 0.638 -8.649 -7.959 1.00 0.00 H new ATOM 0 HD2 PRO A 88 1.042 -5.804 -8.871 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.392 -6.550 -8.195 1.00 0.00 H new ATOM 1284 N ALA A 89 4.088 -6.449 -4.780 1.00 0.00 N ATOM 1285 CA ALA A 89 5.271 -5.734 -4.314 1.00 0.00 C ATOM 1286 C ALA A 89 6.260 -5.545 -5.456 1.00 0.00 C ATOM 1287 O ALA A 89 6.701 -4.432 -5.737 1.00 0.00 O ATOM 1288 CB ALA A 89 5.924 -6.482 -3.162 1.00 0.00 C ATOM 0 H ALA A 89 3.799 -7.222 -4.180 1.00 0.00 H new ATOM 0 HA ALA A 89 4.964 -4.751 -3.956 1.00 0.00 H new ATOM 0 HB1 ALA A 89 6.805 -5.935 -2.826 1.00 0.00 H new ATOM 0 HB2 ALA A 89 5.216 -6.571 -2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 89 6.220 -7.477 -3.495 1.00 0.00 H new ATOM 1294 N SER A 90 6.583 -6.649 -6.128 1.00 0.00 N ATOM 1295 CA SER A 90 7.496 -6.609 -7.259 1.00 0.00 C ATOM 1296 C SER A 90 6.988 -5.615 -8.296 1.00 0.00 C ATOM 1297 O SER A 90 7.761 -5.067 -9.082 1.00 0.00 O ATOM 1298 CB SER A 90 7.635 -7.998 -7.885 1.00 0.00 C ATOM 1299 OG SER A 90 7.830 -8.988 -6.891 1.00 0.00 O ATOM 0 H SER A 90 6.225 -7.578 -5.906 1.00 0.00 H new ATOM 0 HA SER A 90 8.477 -6.290 -6.907 1.00 0.00 H new ATOM 0 HB2 SER A 90 6.741 -8.231 -8.464 1.00 0.00 H new ATOM 0 HB3 SER A 90 8.475 -8.005 -8.579 1.00 0.00 H new ATOM 0 HG SER A 90 7.914 -9.867 -7.317 1.00 0.00 H new ATOM 1305 N ARG A 91 5.677 -5.375 -8.277 1.00 0.00 N ATOM 1306 CA ARG A 91 5.061 -4.433 -9.198 1.00 0.00 C ATOM 1307 C ARG A 91 5.078 -3.023 -8.609 1.00 0.00 C ATOM 1308 O ARG A 91 4.890 -2.040 -9.326 1.00 0.00 O ATOM 1309 CB ARG A 91 3.624 -4.857 -9.510 1.00 0.00 C ATOM 1310 CG ARG A 91 3.468 -5.526 -10.866 1.00 0.00 C ATOM 1311 CD ARG A 91 2.064 -5.345 -11.420 1.00 0.00 C ATOM 1312 NE ARG A 91 1.512 -6.598 -11.932 1.00 0.00 N ATOM 1313 CZ ARG A 91 1.819 -7.112 -13.121 1.00 0.00 C ATOM 1314 NH1 ARG A 91 2.673 -6.487 -13.922 1.00 0.00 N ATOM 1315 NH2 ARG A 91 1.272 -8.256 -13.509 1.00 0.00 N ATOM 0 H ARG A 91 5.025 -5.822 -7.632 1.00 0.00 H new ATOM 0 HA ARG A 91 5.635 -4.431 -10.125 1.00 0.00 H new ATOM 0 HB2 ARG A 91 3.279 -5.541 -8.735 1.00 0.00 H new ATOM 0 HB3 ARG A 91 2.978 -3.980 -9.471 1.00 0.00 H new ATOM 0 HG2 ARG A 91 4.192 -5.107 -11.565 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.690 -6.589 -10.776 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.413 -4.955 -10.638 1.00 0.00 H new ATOM 0 HD3 ARG A 91 2.082 -4.604 -12.219 1.00 0.00 H new ATOM 0 HE ARG A 91 0.853 -7.108 -11.344 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.098 -5.608 -13.628 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.904 -6.886 -14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.617 -8.741 -12.897 1.00 0.00 H new ATOM 0 HH22 ARG A 91 1.507 -8.650 -14.420 1.00 0.00 H new ATOM 1329 N ILE A 92 5.308 -2.931 -7.299 1.00 0.00 N ATOM 1330 CA ILE A 92 5.351 -1.639 -6.623 1.00 0.00 C ATOM 1331 C ILE A 92 6.787 -1.236 -6.303 1.00 0.00 C ATOM 1332 O ILE A 92 7.626 -2.084 -5.999 1.00 0.00 O ATOM 1333 CB ILE A 92 4.528 -1.658 -5.319 1.00 0.00 C ATOM 1334 CG1 ILE A 92 3.112 -2.168 -5.592 1.00 0.00 C ATOM 1335 CG2 ILE A 92 4.485 -0.270 -4.698 1.00 0.00 C ATOM 1336 CD1 ILE A 92 2.321 -2.458 -4.335 1.00 0.00 C ATOM 0 H ILE A 92 5.466 -3.733 -6.689 1.00 0.00 H new ATOM 0 HA ILE A 92 4.915 -0.909 -7.305 1.00 0.00 H new ATOM 0 HB ILE A 92 5.009 -2.335 -4.614 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.576 -1.428 -6.186 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.171 -3.076 -6.192 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.900 -0.301 -3.779 1.00 0.00 H new ATOM 0 HG22 ILE A 92 5.499 0.059 -4.472 1.00 0.00 H new ATOM 0 HG23 ILE A 92 4.024 0.428 -5.398 1.00 0.00 H new ATOM 0 HD11 ILE A 92 1.327 -2.816 -4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.835 -3.221 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 92 2.231 -1.547 -3.744 1.00 0.00 H new ATOM 1348 N GLN A 93 7.063 0.061 -6.377 1.00 0.00 N ATOM 1349 CA GLN A 93 8.399 0.576 -6.096 1.00 0.00 C ATOM 1350 C GLN A 93 8.403 1.423 -4.827 1.00 0.00 C ATOM 1351 O GLN A 93 7.368 1.596 -4.180 1.00 0.00 O ATOM 1352 CB GLN A 93 8.908 1.407 -7.277 1.00 0.00 C ATOM 1353 CG GLN A 93 9.253 0.574 -8.502 1.00 0.00 C ATOM 1354 CD GLN A 93 8.479 1.000 -9.735 1.00 0.00 C ATOM 1355 OE1 GLN A 93 8.576 2.145 -10.177 1.00 0.00 O ATOM 1356 NE2 GLN A 93 7.707 0.078 -10.296 1.00 0.00 N ATOM 0 H GLN A 93 6.380 0.775 -6.629 1.00 0.00 H new ATOM 0 HA GLN A 93 9.063 -0.275 -5.945 1.00 0.00 H new ATOM 0 HB2 GLN A 93 8.149 2.141 -7.549 1.00 0.00 H new ATOM 0 HB3 GLN A 93 9.792 1.963 -6.965 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.321 0.655 -8.702 1.00 0.00 H new ATOM 0 HG3 GLN A 93 9.047 -0.476 -8.293 1.00 0.00 H new ATOM 0 HE21 GLN A 93 7.658 -0.859 -9.895 1.00 0.00 H new ATOM 0 HE22 GLN A 93 7.163 0.306 -11.128 1.00 0.00 H new ATOM 1365 N ARG A 94 9.572 1.946 -4.474 1.00 0.00 N ATOM 1366 CA ARG A 94 9.712 2.773 -3.281 1.00 0.00 C ATOM 1367 C ARG A 94 10.368 4.108 -3.617 1.00 0.00 C ATOM 1368 O ARG A 94 11.315 4.168 -4.402 1.00 0.00 O ATOM 1369 CB ARG A 94 10.540 2.037 -2.225 1.00 0.00 C ATOM 1370 CG ARG A 94 10.084 2.302 -0.799 1.00 0.00 C ATOM 1371 CD ARG A 94 11.236 2.176 0.187 1.00 0.00 C ATOM 1372 NE ARG A 94 11.639 3.475 0.723 1.00 0.00 N ATOM 1373 CZ ARG A 94 12.857 3.740 1.192 1.00 0.00 C ATOM 1374 NH1 ARG A 94 13.792 2.797 1.209 1.00 0.00 N ATOM 1375 NH2 ARG A 94 13.140 4.951 1.651 1.00 0.00 N ATOM 0 H ARG A 94 10.437 1.812 -4.997 1.00 0.00 H new ATOM 0 HA ARG A 94 8.716 2.969 -2.884 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.492 0.966 -2.420 1.00 0.00 H new ATOM 0 HB3 ARG A 94 11.585 2.332 -2.324 1.00 0.00 H new ATOM 0 HG2 ARG A 94 9.655 3.302 -0.733 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.296 1.598 -0.531 1.00 0.00 H new ATOM 0 HD2 ARG A 94 10.942 1.520 1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 94 12.087 1.707 -0.307 1.00 0.00 H new ATOM 0 HE ARG A 94 10.946 4.223 0.739 1.00 0.00 H new ATOM 0 HH11 ARG A 94 13.580 1.862 0.861 1.00 0.00 H new ATOM 0 HH12 ARG A 94 14.722 3.008 1.570 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.425 5.679 1.645 1.00 0.00 H new ATOM 0 HH22 ARG A 94 14.072 5.155 2.010 1.00 0.00 H new ATOM 1389 N ILE A 95 9.859 5.180 -3.016 1.00 0.00 N ATOM 1390 CA ILE A 95 10.395 6.516 -3.250 1.00 0.00 C ATOM 1391 C ILE A 95 11.052 7.071 -1.991 1.00 0.00 C ATOM 1392 O ILE A 95 12.235 7.414 -1.995 1.00 0.00 O ATOM 1393 CB ILE A 95 9.298 7.492 -3.714 1.00 0.00 C ATOM 1394 CG1 ILE A 95 8.478 6.872 -4.846 1.00 0.00 C ATOM 1395 CG2 ILE A 95 9.913 8.811 -4.156 1.00 0.00 C ATOM 1396 CD1 ILE A 95 7.322 6.024 -4.362 1.00 0.00 C ATOM 0 H ILE A 95 9.076 5.149 -2.363 1.00 0.00 H new ATOM 0 HA ILE A 95 11.142 6.422 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 95 8.631 7.690 -2.875 1.00 0.00 H new ATOM 0 HG12 ILE A 95 8.092 7.668 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 95 9.133 6.259 -5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 95 9.124 9.489 -4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 95 10.455 9.257 -3.322 1.00 0.00 H new ATOM 0 HG23 ILE A 95 10.601 8.633 -4.982 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.786 5.617 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.702 5.206 -3.750 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.645 6.637 -3.768 1.00 0.00 H new