USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 531 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 60 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 62 ASN : amide:sc= -5.38! C(o=-5.4!,f=-3.4!) USER MOD Single : A 29 THR OG1 : rot -29:sc= 0.518 USER MOD Single : A 31 CYS SG : rot 180:sc= -4.33! USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0166 USER MOD Single : A 34 THR OG1 : rot 180:sc= 8.6e-05 USER MOD Single : A 37 LYS NZ :NH3+ -168:sc=-0.00379 (180deg=-0.239) USER MOD Single : A 45 SER OG : rot 105:sc= 1.15 USER MOD Single : A 75 THR OG1 : rot -62:sc= 0.746 USER MOD Single : A 77 GLN : amide:sc= -6.06! C(o=-6.1!,f=-6.7!) USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 88 THR OG1 : rot -144:sc= -4.41! USER MOD Single : A 90 MET CE :methyl -141:sc= -13.2! (180deg=-22.6!) USER MOD Single : A 91 GLN : amide:sc= -0.824! C(o=-0.82!,f=-7.7!) USER MOD Single : A 94 THR OG1 : rot -178:sc= -4.4! USER MOD Single : A 100 ASN : amide:sc= -1.14 X(o=-1.1,f=-1) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 349 N THR A 29 -2.705 -9.477 -13.362 1.00 0.00 N ATOM 350 CA THR A 29 -2.946 -8.024 -13.589 1.00 0.00 C ATOM 351 C THR A 29 -1.972 -7.211 -12.740 1.00 0.00 C ATOM 352 O THR A 29 -1.783 -7.476 -11.570 1.00 0.00 O ATOM 353 CB THR A 29 -4.381 -7.675 -13.191 1.00 0.00 C ATOM 354 OG1 THR A 29 -4.661 -8.221 -11.910 1.00 0.00 O ATOM 355 CG2 THR A 29 -5.349 -8.257 -14.220 1.00 0.00 C ATOM 0 HA THR A 29 -2.795 -7.791 -14.643 1.00 0.00 H new ATOM 0 HB THR A 29 -4.498 -6.592 -13.156 1.00 0.00 H new ATOM 0 HG1 THR A 29 -4.128 -9.033 -11.777 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.372 -8.009 -13.938 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.132 -7.837 -15.202 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.235 -9.340 -14.255 1.00 0.00 H new ATOM 363 N VAL A 30 -1.350 -6.221 -13.319 1.00 0.00 N ATOM 364 CA VAL A 30 -0.389 -5.397 -12.538 1.00 0.00 C ATOM 365 C VAL A 30 -0.932 -3.980 -12.379 1.00 0.00 C ATOM 366 O VAL A 30 -1.582 -3.444 -13.254 1.00 0.00 O ATOM 367 CB VAL A 30 0.955 -5.333 -13.269 1.00 0.00 C ATOM 368 CG1 VAL A 30 1.811 -4.198 -12.691 1.00 0.00 C ATOM 369 CG2 VAL A 30 1.693 -6.658 -13.095 1.00 0.00 C ATOM 0 H VAL A 30 -1.466 -5.949 -14.295 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.253 -5.852 -11.557 1.00 0.00 H new ATOM 0 HB VAL A 30 0.776 -5.147 -14.328 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.765 -4.159 -13.216 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.289 -3.249 -12.815 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.987 -4.379 -11.631 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.650 -6.613 -13.615 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.865 -6.842 -12.035 1.00 0.00 H new ATOM 0 HG23 VAL A 30 1.092 -7.467 -13.511 1.00 0.00 H new ATOM 379 N CYS A 31 -0.642 -3.368 -11.272 1.00 0.00 N ATOM 380 CA CYS A 31 -1.105 -1.970 -11.041 1.00 0.00 C ATOM 381 C CYS A 31 -0.005 -1.210 -10.297 1.00 0.00 C ATOM 382 O CYS A 31 0.016 -1.156 -9.082 1.00 0.00 O ATOM 383 CB CYS A 31 -2.391 -1.974 -10.213 1.00 0.00 C ATOM 384 SG CYS A 31 -3.443 -3.354 -10.735 1.00 0.00 S ATOM 0 H CYS A 31 -0.101 -3.775 -10.509 1.00 0.00 H new ATOM 0 HA CYS A 31 -1.311 -1.485 -11.995 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -2.153 -2.065 -9.153 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -2.921 -1.030 -10.341 1.00 0.00 H new ATOM 0 HG CYS A 31 -4.535 -3.358 -10.030 1.00 0.00 H new ATOM 390 N THR A 32 0.916 -0.632 -11.021 1.00 0.00 N ATOM 391 CA THR A 32 2.024 0.115 -10.364 1.00 0.00 C ATOM 392 C THR A 32 1.474 1.403 -9.744 1.00 0.00 C ATOM 393 O THR A 32 0.807 2.181 -10.394 1.00 0.00 O ATOM 394 CB THR A 32 3.088 0.453 -11.412 1.00 0.00 C ATOM 395 OG1 THR A 32 3.119 -0.571 -12.396 1.00 0.00 O ATOM 396 CG2 THR A 32 4.458 0.557 -10.740 1.00 0.00 C ATOM 0 H THR A 32 0.948 -0.646 -12.040 1.00 0.00 H new ATOM 0 HA THR A 32 2.469 -0.495 -9.578 1.00 0.00 H new ATOM 0 HB THR A 32 2.845 1.406 -11.882 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.798 -0.357 -13.070 1.00 0.00 H new ATOM 0 HG21 THR A 32 5.213 0.798 -11.488 1.00 0.00 H new ATOM 0 HG22 THR A 32 4.434 1.342 -9.984 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.705 -0.394 -10.268 1.00 0.00 H new ATOM 404 N VAL A 33 1.734 1.622 -8.482 1.00 0.00 N ATOM 405 CA VAL A 33 1.207 2.848 -7.814 1.00 0.00 C ATOM 406 C VAL A 33 2.263 3.436 -6.870 1.00 0.00 C ATOM 407 O VAL A 33 3.176 2.757 -6.446 1.00 0.00 O ATOM 408 CB VAL A 33 -0.032 2.493 -6.985 1.00 0.00 C ATOM 409 CG1 VAL A 33 -1.270 3.100 -7.636 1.00 0.00 C ATOM 410 CG2 VAL A 33 -0.211 0.972 -6.889 1.00 0.00 C ATOM 0 H VAL A 33 2.287 1.006 -7.886 1.00 0.00 H new ATOM 0 HA VAL A 33 0.954 3.576 -8.585 1.00 0.00 H new ATOM 0 HB VAL A 33 0.101 2.894 -5.980 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -2.152 2.848 -7.047 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.162 4.184 -7.682 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -1.382 2.703 -8.645 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -1.097 0.747 -6.296 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -0.329 0.556 -7.889 1.00 0.00 H new ATOM 0 HG23 VAL A 33 0.666 0.532 -6.414 1.00 0.00 H new ATOM 420 N THR A 34 2.129 4.690 -6.512 1.00 0.00 N ATOM 421 CA THR A 34 3.105 5.298 -5.570 1.00 0.00 C ATOM 422 C THR A 34 2.421 5.665 -4.260 1.00 0.00 C ATOM 423 O THR A 34 1.408 6.333 -4.240 1.00 0.00 O ATOM 424 CB THR A 34 3.711 6.578 -6.146 1.00 0.00 C ATOM 425 OG1 THR A 34 2.824 7.157 -7.089 1.00 0.00 O ATOM 426 CG2 THR A 34 5.075 6.294 -6.770 1.00 0.00 C ATOM 0 H THR A 34 1.387 5.312 -6.833 1.00 0.00 H new ATOM 0 HA THR A 34 3.889 4.559 -5.404 1.00 0.00 H new ATOM 0 HB THR A 34 3.860 7.292 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.221 7.977 -7.451 1.00 0.00 H new ATOM 0 HG21 THR A 34 5.490 7.217 -7.174 1.00 0.00 H new ATOM 0 HG22 THR A 34 5.747 5.897 -6.010 1.00 0.00 H new ATOM 0 HG23 THR A 34 4.963 5.565 -7.572 1.00 0.00 H new ATOM 434 N LEU A 35 2.996 5.275 -3.164 1.00 0.00 N ATOM 435 CA LEU A 35 2.407 5.650 -1.855 1.00 0.00 C ATOM 436 C LEU A 35 3.246 6.792 -1.281 1.00 0.00 C ATOM 437 O LEU A 35 4.348 7.034 -1.723 1.00 0.00 O ATOM 438 CB LEU A 35 2.403 4.450 -0.902 1.00 0.00 C ATOM 439 CG LEU A 35 1.088 3.677 -1.060 1.00 0.00 C ATOM 440 CD1 LEU A 35 1.001 2.586 0.007 1.00 0.00 C ATOM 441 CD2 LEU A 35 -0.095 4.633 -0.897 1.00 0.00 C ATOM 0 H LEU A 35 3.847 4.714 -3.117 1.00 0.00 H new ATOM 0 HA LEU A 35 1.372 5.967 -1.981 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.249 3.798 -1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.517 4.789 0.128 1.00 0.00 H new ATOM 0 HG LEU A 35 1.058 3.224 -2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.066 2.039 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.840 1.899 -0.106 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.036 3.041 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.028 4.080 -1.010 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -0.061 5.089 0.093 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.041 5.412 -1.657 1.00 0.00 H new ATOM 453 N GLU A 36 2.750 7.514 -0.324 1.00 0.00 N ATOM 454 CA GLU A 36 3.556 8.634 0.225 1.00 0.00 C ATOM 455 C GLU A 36 4.117 8.239 1.595 1.00 0.00 C ATOM 456 O GLU A 36 3.407 8.227 2.582 1.00 0.00 O ATOM 457 CB GLU A 36 2.672 9.873 0.377 1.00 0.00 C ATOM 458 CG GLU A 36 2.760 10.730 -0.888 1.00 0.00 C ATOM 459 CD GLU A 36 2.509 12.196 -0.528 1.00 0.00 C ATOM 460 OE1 GLU A 36 2.393 12.483 0.651 1.00 0.00 O ATOM 461 OE2 GLU A 36 2.435 13.005 -1.439 1.00 0.00 O ATOM 0 H GLU A 36 1.832 7.381 0.100 1.00 0.00 H new ATOM 0 HA GLU A 36 4.379 8.854 -0.455 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.639 9.574 0.554 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.989 10.453 1.243 1.00 0.00 H new ATOM 0 HG2 GLU A 36 3.742 10.620 -1.347 1.00 0.00 H new ATOM 0 HG3 GLU A 36 2.026 10.393 -1.620 1.00 0.00 H new ATOM 468 N LYS A 37 5.382 7.922 1.671 1.00 0.00 N ATOM 469 CA LYS A 37 5.966 7.538 2.999 1.00 0.00 C ATOM 470 C LYS A 37 6.260 8.811 3.798 1.00 0.00 C ATOM 471 O LYS A 37 7.037 9.649 3.384 1.00 0.00 O ATOM 472 CB LYS A 37 7.266 6.726 2.820 1.00 0.00 C ATOM 473 CG LYS A 37 8.001 6.622 4.160 1.00 0.00 C ATOM 474 CD LYS A 37 7.277 5.620 5.062 1.00 0.00 C ATOM 475 CE LYS A 37 7.890 5.656 6.463 1.00 0.00 C ATOM 476 NZ LYS A 37 9.292 5.153 6.406 1.00 0.00 N ATOM 0 H LYS A 37 6.032 7.911 0.885 1.00 0.00 H new ATOM 0 HA LYS A 37 5.248 6.914 3.532 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.034 5.730 2.443 1.00 0.00 H new ATOM 0 HB3 LYS A 37 7.906 7.206 2.080 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.031 6.304 3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 37 8.041 7.599 4.642 1.00 0.00 H new ATOM 0 HD2 LYS A 37 6.215 5.861 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 37 7.356 4.616 4.645 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.873 6.674 6.853 1.00 0.00 H new ATOM 0 HE3 LYS A 37 7.300 5.044 7.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.640 4.985 7.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.320 4.263 5.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 9.896 5.859 5.939 1.00 0.00 H new ATOM 528 N GLY A 41 4.980 3.847 7.743 1.00 0.00 N ATOM 529 CA GLY A 41 5.302 2.666 6.892 1.00 0.00 C ATOM 530 C GLY A 41 4.232 2.514 5.812 1.00 0.00 C ATOM 531 O GLY A 41 3.524 1.528 5.759 1.00 0.00 O ATOM 0 HA2 GLY A 41 6.283 2.791 6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 41 5.348 1.765 7.503 1.00 0.00 H new ATOM 535 N LEU A 42 4.106 3.488 4.947 1.00 0.00 N ATOM 536 CA LEU A 42 3.079 3.409 3.860 1.00 0.00 C ATOM 537 C LEU A 42 1.753 2.902 4.411 1.00 0.00 C ATOM 538 O LEU A 42 0.912 2.421 3.676 1.00 0.00 O ATOM 539 CB LEU A 42 3.546 2.458 2.757 1.00 0.00 C ATOM 540 CG LEU A 42 5.048 2.228 2.867 1.00 0.00 C ATOM 541 CD1 LEU A 42 5.458 1.110 1.911 1.00 0.00 C ATOM 542 CD2 LEU A 42 5.785 3.514 2.500 1.00 0.00 C ATOM 0 H LEU A 42 4.671 4.337 4.945 1.00 0.00 H new ATOM 0 HA LEU A 42 2.945 4.411 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.018 1.508 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.305 2.875 1.779 1.00 0.00 H new ATOM 0 HG LEU A 42 5.303 1.944 3.888 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.532 0.942 1.987 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.928 0.194 2.174 1.00 0.00 H new ATOM 0 HD13 LEU A 42 5.206 1.394 0.889 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.860 3.352 2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.534 3.798 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.488 4.311 3.182 1.00 0.00 H new ATOM 554 N GLY A 43 1.547 2.997 5.689 1.00 0.00 N ATOM 555 CA GLY A 43 0.272 2.512 6.264 1.00 0.00 C ATOM 556 C GLY A 43 0.036 1.056 5.851 1.00 0.00 C ATOM 557 O GLY A 43 -1.042 0.533 6.028 1.00 0.00 O ATOM 0 H GLY A 43 2.207 3.390 6.360 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.299 2.591 7.351 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.553 3.135 5.920 1.00 0.00 H new ATOM 561 N PHE A 44 1.021 0.380 5.314 1.00 0.00 N ATOM 562 CA PHE A 44 0.791 -1.031 4.930 1.00 0.00 C ATOM 563 C PHE A 44 2.032 -1.864 5.245 1.00 0.00 C ATOM 564 O PHE A 44 3.155 -1.438 5.068 1.00 0.00 O ATOM 565 CB PHE A 44 0.418 -1.128 3.438 1.00 0.00 C ATOM 566 CG PHE A 44 1.647 -1.155 2.553 1.00 0.00 C ATOM 567 CD1 PHE A 44 2.528 -2.245 2.590 1.00 0.00 C ATOM 568 CD2 PHE A 44 1.889 -0.096 1.671 1.00 0.00 C ATOM 569 CE1 PHE A 44 3.648 -2.269 1.757 1.00 0.00 C ATOM 570 CE2 PHE A 44 3.008 -0.125 0.834 1.00 0.00 C ATOM 571 CZ PHE A 44 3.886 -1.209 0.878 1.00 0.00 C ATOM 0 H PHE A 44 1.956 0.743 5.130 1.00 0.00 H new ATOM 0 HA PHE A 44 -0.044 -1.428 5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.172 -2.029 3.268 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -0.209 -0.280 3.164 1.00 0.00 H new ATOM 0 HD1 PHE A 44 2.340 -3.068 3.264 1.00 0.00 H new ATOM 0 HD2 PHE A 44 1.211 0.744 1.637 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.330 -3.106 1.792 1.00 0.00 H new ATOM 0 HE2 PHE A 44 3.193 0.692 0.153 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.751 -1.229 0.232 1.00 0.00 H new ATOM 581 N SER A 45 1.814 -3.055 5.708 1.00 0.00 N ATOM 582 CA SER A 45 2.944 -3.972 6.053 1.00 0.00 C ATOM 583 C SER A 45 2.913 -5.176 5.107 1.00 0.00 C ATOM 584 O SER A 45 1.858 -5.689 4.776 1.00 0.00 O ATOM 585 CB SER A 45 2.789 -4.453 7.496 1.00 0.00 C ATOM 586 OG SER A 45 1.806 -5.478 7.547 1.00 0.00 O ATOM 0 H SER A 45 0.886 -3.446 5.868 1.00 0.00 H new ATOM 0 HA SER A 45 3.892 -3.445 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.741 -4.828 7.871 1.00 0.00 H new ATOM 0 HB3 SER A 45 2.498 -3.622 8.139 1.00 0.00 H new ATOM 0 HG SER A 45 2.245 -6.347 7.657 1.00 0.00 H new ATOM 592 N LEU A 46 4.060 -5.618 4.660 1.00 0.00 N ATOM 593 CA LEU A 46 4.103 -6.777 3.710 1.00 0.00 C ATOM 594 C LEU A 46 4.210 -8.105 4.459 1.00 0.00 C ATOM 595 O LEU A 46 4.900 -8.218 5.452 1.00 0.00 O ATOM 596 CB LEU A 46 5.318 -6.636 2.785 1.00 0.00 C ATOM 597 CG LEU A 46 4.861 -6.298 1.363 1.00 0.00 C ATOM 598 CD1 LEU A 46 3.710 -5.289 1.409 1.00 0.00 C ATOM 599 CD2 LEU A 46 6.037 -5.692 0.595 1.00 0.00 C ATOM 0 H LEU A 46 4.969 -5.229 4.910 1.00 0.00 H new ATOM 0 HA LEU A 46 3.178 -6.773 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 46 5.980 -5.854 3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 46 5.891 -7.563 2.780 1.00 0.00 H new ATOM 0 HG LEU A 46 4.518 -7.206 0.866 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.391 -5.054 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.874 -5.716 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 46 4.045 -4.377 1.904 1.00 0.00 H new ATOM 0 HD21 LEU A 46 5.722 -5.448 -0.419 1.00 0.00 H new ATOM 0 HD22 LEU A 46 6.372 -4.786 1.099 1.00 0.00 H new ATOM 0 HD23 LEU A 46 6.856 -6.410 0.557 1.00 0.00 H new ATOM 611 N GLU A 47 3.540 -9.122 3.973 1.00 0.00 N ATOM 612 CA GLU A 47 3.619 -10.450 4.645 1.00 0.00 C ATOM 613 C GLU A 47 3.905 -11.537 3.605 1.00 0.00 C ATOM 614 O GLU A 47 3.632 -11.381 2.433 1.00 0.00 O ATOM 615 CB GLU A 47 2.300 -10.758 5.341 1.00 0.00 C ATOM 616 CG GLU A 47 2.340 -10.226 6.776 1.00 0.00 C ATOM 617 CD GLU A 47 2.322 -8.696 6.756 1.00 0.00 C ATOM 618 OE1 GLU A 47 1.984 -8.140 5.724 1.00 0.00 O ATOM 619 OE2 GLU A 47 2.644 -8.106 7.774 1.00 0.00 O ATOM 0 H GLU A 47 2.946 -9.087 3.145 1.00 0.00 H new ATOM 0 HA GLU A 47 4.421 -10.427 5.382 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.474 -10.301 4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 47 2.122 -11.833 5.346 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.486 -10.603 7.338 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.237 -10.583 7.282 1.00 0.00 H new ATOM 771 N LEU A 59 5.724 -11.838 -1.079 1.00 0.00 N ATOM 772 CA LEU A 59 5.400 -10.861 0.000 1.00 0.00 C ATOM 773 C LEU A 59 4.129 -10.103 -0.394 1.00 0.00 C ATOM 774 O LEU A 59 4.069 -9.485 -1.439 1.00 0.00 O ATOM 775 CB LEU A 59 6.558 -9.875 0.151 1.00 0.00 C ATOM 776 CG LEU A 59 7.441 -10.297 1.324 1.00 0.00 C ATOM 777 CD1 LEU A 59 8.576 -11.189 0.814 1.00 0.00 C ATOM 778 CD2 LEU A 59 8.031 -9.053 1.988 1.00 0.00 C ATOM 0 HA LEU A 59 5.245 -11.381 0.945 1.00 0.00 H new ATOM 0 HB2 LEU A 59 7.145 -9.845 -0.767 1.00 0.00 H new ATOM 0 HB3 LEU A 59 6.173 -8.869 0.316 1.00 0.00 H new ATOM 0 HG LEU A 59 6.843 -10.849 2.049 1.00 0.00 H new ATOM 0 HD11 LEU A 59 9.206 -11.490 1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 59 8.156 -12.075 0.338 1.00 0.00 H new ATOM 0 HD13 LEU A 59 9.175 -10.637 0.089 1.00 0.00 H new ATOM 0 HD21 LEU A 59 8.661 -9.352 2.825 1.00 0.00 H new ATOM 0 HD22 LEU A 59 8.629 -8.502 1.262 1.00 0.00 H new ATOM 0 HD23 LEU A 59 7.224 -8.417 2.351 1.00 0.00 H new ATOM 790 N THR A 60 3.105 -10.160 0.411 1.00 0.00 N ATOM 791 CA THR A 60 1.841 -9.458 0.044 1.00 0.00 C ATOM 792 C THR A 60 1.404 -8.517 1.191 1.00 0.00 C ATOM 793 O THR A 60 1.748 -8.748 2.333 1.00 0.00 O ATOM 794 CB THR A 60 0.764 -10.514 -0.183 1.00 0.00 C ATOM 795 OG1 THR A 60 0.802 -11.443 0.888 1.00 0.00 O ATOM 796 CG2 THR A 60 1.048 -11.219 -1.502 1.00 0.00 C ATOM 0 H THR A 60 3.087 -10.658 1.301 1.00 0.00 H new ATOM 0 HA THR A 60 1.993 -8.863 -0.856 1.00 0.00 H new ATOM 0 HB THR A 60 -0.224 -10.056 -0.223 1.00 0.00 H new ATOM 0 HG1 THR A 60 0.112 -12.126 0.753 1.00 0.00 H new ATOM 0 HG21 THR A 60 0.286 -11.978 -1.680 1.00 0.00 H new ATOM 0 HG22 THR A 60 1.032 -10.492 -2.314 1.00 0.00 H new ATOM 0 HG23 THR A 60 2.029 -11.692 -1.458 1.00 0.00 H new ATOM 804 N ILE A 61 0.639 -7.467 0.928 1.00 0.00 N ATOM 805 CA ILE A 61 0.209 -6.581 2.051 1.00 0.00 C ATOM 806 C ILE A 61 -0.870 -7.279 2.865 1.00 0.00 C ATOM 807 O ILE A 61 -1.924 -7.628 2.373 1.00 0.00 O ATOM 808 CB ILE A 61 -0.354 -5.281 1.510 1.00 0.00 C ATOM 809 CG1 ILE A 61 0.770 -4.413 0.951 1.00 0.00 C ATOM 810 CG2 ILE A 61 -1.037 -4.515 2.636 1.00 0.00 C ATOM 811 CD1 ILE A 61 0.178 -3.131 0.357 1.00 0.00 C ATOM 0 H ILE A 61 0.306 -7.199 0.002 1.00 0.00 H new ATOM 0 HA ILE A 61 1.075 -6.368 2.678 1.00 0.00 H new ATOM 0 HB ILE A 61 -1.068 -5.513 0.720 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.480 -4.167 1.740 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.321 -4.960 0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -1.442 -3.581 2.247 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.847 -5.118 3.047 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.312 -4.298 3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 61 0.980 -2.511 -0.042 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.515 -3.388 -0.444 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.353 -2.581 1.134 1.00 0.00 H new ATOM 823 N ASN A 62 -0.597 -7.480 4.108 1.00 0.00 N ATOM 824 CA ASN A 62 -1.594 -8.163 5.002 1.00 0.00 C ATOM 825 C ASN A 62 -2.303 -7.172 5.928 1.00 0.00 C ATOM 826 O ASN A 62 -3.507 -7.220 6.089 1.00 0.00 O ATOM 827 CB ASN A 62 -0.905 -9.212 5.868 1.00 0.00 C ATOM 828 CG ASN A 62 -0.774 -10.515 5.080 1.00 0.00 C ATOM 829 OD1 ASN A 62 -0.686 -11.581 5.655 1.00 0.00 O ATOM 830 ND2 ASN A 62 -0.753 -10.472 3.776 1.00 0.00 N ATOM 0 H ASN A 62 0.274 -7.206 4.562 1.00 0.00 H new ATOM 0 HA ASN A 62 -2.330 -8.631 4.349 1.00 0.00 H new ATOM 0 HB2 ASN A 62 0.080 -8.858 6.173 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -1.479 -9.381 6.779 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -0.663 -11.334 3.239 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.827 -9.576 3.294 1.00 0.00 H new ATOM 837 N ARG A 63 -1.579 -6.300 6.562 1.00 0.00 N ATOM 838 CA ARG A 63 -2.234 -5.347 7.500 1.00 0.00 C ATOM 839 C ARG A 63 -2.083 -3.918 6.989 1.00 0.00 C ATOM 840 O ARG A 63 -1.035 -3.312 7.092 1.00 0.00 O ATOM 841 CB ARG A 63 -1.593 -5.474 8.883 1.00 0.00 C ATOM 842 CG ARG A 63 -2.639 -5.973 9.884 1.00 0.00 C ATOM 843 CD ARG A 63 -2.117 -5.778 11.308 1.00 0.00 C ATOM 844 NE ARG A 63 -1.471 -7.037 11.777 1.00 0.00 N ATOM 845 CZ ARG A 63 -1.416 -7.308 13.053 1.00 0.00 C ATOM 846 NH1 ARG A 63 -0.639 -6.610 13.835 1.00 0.00 N ATOM 847 NH2 ARG A 63 -2.135 -8.280 13.544 1.00 0.00 N ATOM 0 H ARG A 63 -0.567 -6.203 6.474 1.00 0.00 H new ATOM 0 HA ARG A 63 -3.296 -5.584 7.567 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -0.752 -6.166 8.844 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -1.198 -4.510 9.203 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -3.574 -5.429 9.751 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -2.855 -7.026 9.706 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -1.400 -4.957 11.335 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.937 -5.507 11.973 1.00 0.00 H new ATOM 0 HE ARG A 63 -1.072 -7.687 11.100 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -0.075 -5.853 13.449 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -0.596 -6.822 14.832 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -2.739 -8.827 12.931 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -2.093 -8.492 14.541 1.00 0.00 H new ATOM 861 N ILE A 64 -3.131 -3.381 6.435 1.00 0.00 N ATOM 862 CA ILE A 64 -3.069 -1.993 5.908 1.00 0.00 C ATOM 863 C ILE A 64 -3.732 -1.028 6.879 1.00 0.00 C ATOM 864 O ILE A 64 -4.696 -1.349 7.547 1.00 0.00 O ATOM 865 CB ILE A 64 -3.775 -1.930 4.558 1.00 0.00 C ATOM 866 CG1 ILE A 64 -2.976 -2.780 3.578 1.00 0.00 C ATOM 867 CG2 ILE A 64 -3.837 -0.478 4.064 1.00 0.00 C ATOM 868 CD1 ILE A 64 -3.124 -2.240 2.157 1.00 0.00 C ATOM 0 H ILE A 64 -4.032 -3.846 6.324 1.00 0.00 H new ATOM 0 HA ILE A 64 -2.024 -1.706 5.788 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.795 -2.304 4.644 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.924 -2.784 3.864 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.321 -3.813 3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.343 -0.443 3.099 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -4.387 0.128 4.784 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.825 -0.086 3.957 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.547 -2.859 1.470 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.175 -2.260 1.868 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.756 -1.215 2.117 1.00 0.00 H new ATOM 880 N PHE A 65 -3.216 0.160 6.949 1.00 0.00 N ATOM 881 CA PHE A 65 -3.805 1.178 7.867 1.00 0.00 C ATOM 882 C PHE A 65 -4.224 2.409 7.056 1.00 0.00 C ATOM 883 O PHE A 65 -5.392 2.724 6.947 1.00 0.00 O ATOM 884 CB PHE A 65 -2.779 1.612 8.923 1.00 0.00 C ATOM 885 CG PHE A 65 -1.799 0.484 9.208 1.00 0.00 C ATOM 886 CD1 PHE A 65 -2.264 -0.818 9.457 1.00 0.00 C ATOM 887 CD2 PHE A 65 -0.419 0.746 9.229 1.00 0.00 C ATOM 888 CE1 PHE A 65 -1.349 -1.850 9.727 1.00 0.00 C ATOM 889 CE2 PHE A 65 0.491 -0.288 9.500 1.00 0.00 C ATOM 890 CZ PHE A 65 0.025 -1.582 9.747 1.00 0.00 C ATOM 0 H PHE A 65 -2.409 0.476 6.411 1.00 0.00 H new ATOM 0 HA PHE A 65 -4.668 0.737 8.366 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -2.239 2.492 8.574 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -3.292 1.897 9.842 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -3.324 -1.026 9.441 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -0.057 1.745 9.036 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.706 -2.851 9.919 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.551 -0.083 9.518 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.726 -2.377 9.954 1.00 0.00 H new ATOM 1003 N GLU A 74 -7.119 4.609 -3.311 1.00 0.00 N ATOM 1004 CA GLU A 74 -7.113 3.125 -3.445 1.00 0.00 C ATOM 1005 C GLU A 74 -5.758 2.684 -4.001 1.00 0.00 C ATOM 1006 O GLU A 74 -5.679 1.887 -4.915 1.00 0.00 O ATOM 1007 CB GLU A 74 -8.227 2.694 -4.402 1.00 0.00 C ATOM 1008 CG GLU A 74 -9.189 1.751 -3.676 1.00 0.00 C ATOM 1009 CD GLU A 74 -10.627 2.232 -3.884 1.00 0.00 C ATOM 1010 OE1 GLU A 74 -11.216 1.857 -4.884 1.00 0.00 O ATOM 1011 OE2 GLU A 74 -11.114 2.965 -3.040 1.00 0.00 O ATOM 0 HA GLU A 74 -7.280 2.664 -2.472 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.765 3.569 -4.767 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -7.800 2.196 -5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.075 0.735 -4.055 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.954 1.722 -2.612 1.00 0.00 H new ATOM 1018 N THR A 75 -4.692 3.201 -3.454 1.00 0.00 N ATOM 1019 CA THR A 75 -3.336 2.820 -3.944 1.00 0.00 C ATOM 1020 C THR A 75 -2.784 1.683 -3.077 1.00 0.00 C ATOM 1021 O THR A 75 -1.599 1.589 -2.828 1.00 0.00 O ATOM 1022 CB THR A 75 -2.402 4.039 -3.885 1.00 0.00 C ATOM 1023 OG1 THR A 75 -1.053 3.603 -3.796 1.00 0.00 O ATOM 1024 CG2 THR A 75 -2.740 4.905 -2.670 1.00 0.00 C ATOM 0 H THR A 75 -4.701 3.873 -2.687 1.00 0.00 H new ATOM 0 HA THR A 75 -3.401 2.480 -4.978 1.00 0.00 H new ATOM 0 HB THR A 75 -2.536 4.630 -4.791 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.929 3.089 -2.971 1.00 0.00 H new ATOM 0 HG21 THR A 75 -2.072 5.765 -2.639 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.771 5.249 -2.744 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.618 4.318 -1.760 1.00 0.00 H new ATOM 1032 N VAL A 76 -3.642 0.813 -2.625 1.00 0.00 N ATOM 1033 CA VAL A 76 -3.183 -0.329 -1.785 1.00 0.00 C ATOM 1034 C VAL A 76 -4.029 -1.557 -2.113 1.00 0.00 C ATOM 1035 O VAL A 76 -5.029 -1.467 -2.798 1.00 0.00 O ATOM 1036 CB VAL A 76 -3.346 0.018 -0.306 1.00 0.00 C ATOM 1037 CG1 VAL A 76 -2.221 0.955 0.130 1.00 0.00 C ATOM 1038 CG2 VAL A 76 -4.697 0.701 -0.090 1.00 0.00 C ATOM 0 H VAL A 76 -4.646 0.843 -2.802 1.00 0.00 H new ATOM 0 HA VAL A 76 -2.132 -0.534 -1.990 1.00 0.00 H new ATOM 0 HB VAL A 76 -3.302 -0.895 0.288 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.340 1.200 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -1.260 0.465 -0.022 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -2.259 1.870 -0.462 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.815 0.949 0.965 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -4.743 1.613 -0.685 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -5.498 0.028 -0.396 1.00 0.00 H new ATOM 1048 N GLN A 77 -3.644 -2.705 -1.631 1.00 0.00 N ATOM 1049 CA GLN A 77 -4.439 -3.933 -1.925 1.00 0.00 C ATOM 1050 C GLN A 77 -4.300 -4.926 -0.766 1.00 0.00 C ATOM 1051 O GLN A 77 -3.261 -5.001 -0.139 1.00 0.00 O ATOM 1052 CB GLN A 77 -3.945 -4.604 -3.216 1.00 0.00 C ATOM 1053 CG GLN A 77 -2.760 -3.836 -3.814 1.00 0.00 C ATOM 1054 CD GLN A 77 -3.284 -2.705 -4.703 1.00 0.00 C ATOM 1055 OE1 GLN A 77 -4.401 -2.761 -5.178 1.00 0.00 O ATOM 1056 NE2 GLN A 77 -2.522 -1.675 -4.948 1.00 0.00 N ATOM 0 H GLN A 77 -2.818 -2.848 -1.049 1.00 0.00 H new ATOM 0 HA GLN A 77 -5.483 -3.644 -2.050 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -3.648 -5.632 -3.006 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -4.758 -4.649 -3.941 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -2.137 -3.429 -3.018 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -2.132 -4.510 -4.396 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.584 -1.628 -4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.864 -0.917 -5.538 1.00 0.00 H new ATOM 1065 N PRO A 78 -5.356 -5.659 -0.513 1.00 0.00 N ATOM 1066 CA PRO A 78 -5.387 -6.659 0.566 1.00 0.00 C ATOM 1067 C PRO A 78 -4.694 -7.959 0.144 1.00 0.00 C ATOM 1068 O PRO A 78 -5.261 -8.783 -0.546 1.00 0.00 O ATOM 1069 CB PRO A 78 -6.883 -6.895 0.794 1.00 0.00 C ATOM 1070 CG PRO A 78 -7.595 -6.474 -0.514 1.00 0.00 C ATOM 1071 CD PRO A 78 -6.619 -5.553 -1.273 1.00 0.00 C ATOM 0 HA PRO A 78 -4.863 -6.323 1.461 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -7.081 -7.942 1.024 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -7.244 -6.309 1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -7.849 -7.347 -1.115 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.528 -5.954 -0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.490 -5.874 -2.307 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.982 -4.525 -1.302 1.00 0.00 H new ATOM 1079 N GLY A 79 -3.481 -8.158 0.582 1.00 0.00 N ATOM 1080 CA GLY A 79 -2.755 -9.430 0.232 1.00 0.00 C ATOM 1081 C GLY A 79 -2.249 -9.409 -1.218 1.00 0.00 C ATOM 1082 O GLY A 79 -1.932 -10.442 -1.774 1.00 0.00 O ATOM 0 H GLY A 79 -2.957 -7.504 1.164 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -1.913 -9.568 0.910 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -3.421 -10.281 0.374 1.00 0.00 H new ATOM 1086 N ASP A 80 -2.157 -8.266 -1.845 1.00 0.00 N ATOM 1087 CA ASP A 80 -1.656 -8.253 -3.256 1.00 0.00 C ATOM 1088 C ASP A 80 -0.217 -8.792 -3.279 1.00 0.00 C ATOM 1089 O ASP A 80 0.495 -8.696 -2.300 1.00 0.00 O ATOM 1090 CB ASP A 80 -1.685 -6.826 -3.814 1.00 0.00 C ATOM 1091 CG ASP A 80 -2.810 -6.715 -4.844 1.00 0.00 C ATOM 1092 OD1 ASP A 80 -3.934 -7.044 -4.501 1.00 0.00 O ATOM 1093 OD2 ASP A 80 -2.530 -6.305 -5.955 1.00 0.00 O ATOM 0 H ASP A 80 -2.401 -7.356 -1.453 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.296 -8.881 -3.875 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -1.842 -6.110 -3.007 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -0.728 -6.583 -4.275 1.00 0.00 H new ATOM 1098 N GLU A 81 0.228 -9.364 -4.375 1.00 0.00 N ATOM 1099 CA GLU A 81 1.635 -9.902 -4.401 1.00 0.00 C ATOM 1100 C GLU A 81 2.612 -8.787 -4.808 1.00 0.00 C ATOM 1101 O GLU A 81 3.320 -8.898 -5.791 1.00 0.00 O ATOM 1102 CB GLU A 81 1.757 -11.067 -5.401 1.00 0.00 C ATOM 1103 CG GLU A 81 2.832 -12.040 -4.912 1.00 0.00 C ATOM 1104 CD GLU A 81 3.663 -12.523 -6.102 1.00 0.00 C ATOM 1105 OE1 GLU A 81 3.176 -13.369 -6.835 1.00 0.00 O ATOM 1106 OE2 GLU A 81 4.772 -12.040 -6.261 1.00 0.00 O ATOM 0 H GLU A 81 -0.306 -9.482 -5.236 1.00 0.00 H new ATOM 0 HA GLU A 81 1.879 -10.265 -3.403 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.801 -11.581 -5.497 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.016 -10.688 -6.390 1.00 0.00 H new ATOM 0 HG2 GLU A 81 3.475 -11.550 -4.181 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.368 -12.889 -4.410 1.00 0.00 H new ATOM 1113 N ILE A 82 2.663 -7.721 -4.053 1.00 0.00 N ATOM 1114 CA ILE A 82 3.608 -6.597 -4.383 1.00 0.00 C ATOM 1115 C ILE A 82 5.040 -7.154 -4.510 1.00 0.00 C ATOM 1116 O ILE A 82 5.594 -7.664 -3.558 1.00 0.00 O ATOM 1117 CB ILE A 82 3.562 -5.561 -3.255 1.00 0.00 C ATOM 1118 CG1 ILE A 82 2.108 -5.371 -2.801 1.00 0.00 C ATOM 1119 CG2 ILE A 82 4.118 -4.227 -3.760 1.00 0.00 C ATOM 1120 CD1 ILE A 82 1.971 -4.062 -2.020 1.00 0.00 C ATOM 0 H ILE A 82 2.093 -7.574 -3.220 1.00 0.00 H new ATOM 0 HA ILE A 82 3.316 -6.131 -5.324 1.00 0.00 H new ATOM 0 HB ILE A 82 4.165 -5.908 -2.416 1.00 0.00 H new ATOM 0 HG12 ILE A 82 1.446 -5.358 -3.667 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.800 -6.210 -2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 82 4.085 -3.491 -2.956 1.00 0.00 H new ATOM 0 HG22 ILE A 82 5.149 -4.362 -4.085 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.516 -3.876 -4.598 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.936 -3.935 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.619 -4.091 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.260 -3.226 -2.657 1.00 0.00 H new ATOM 1132 N LEU A 83 5.642 -7.071 -5.676 1.00 0.00 N ATOM 1133 CA LEU A 83 7.032 -7.612 -5.837 1.00 0.00 C ATOM 1134 C LEU A 83 8.067 -6.605 -5.311 1.00 0.00 C ATOM 1135 O LEU A 83 8.951 -6.955 -4.557 1.00 0.00 O ATOM 1136 CB LEU A 83 7.307 -7.885 -7.317 1.00 0.00 C ATOM 1137 CG LEU A 83 6.192 -8.758 -7.894 1.00 0.00 C ATOM 1138 CD1 LEU A 83 5.615 -8.090 -9.144 1.00 0.00 C ATOM 1139 CD2 LEU A 83 6.762 -10.128 -8.267 1.00 0.00 C ATOM 0 H LEU A 83 5.236 -6.656 -6.515 1.00 0.00 H new ATOM 0 HA LEU A 83 7.113 -8.537 -5.265 1.00 0.00 H new ATOM 0 HB2 LEU A 83 7.367 -6.945 -7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 83 8.269 -8.383 -7.432 1.00 0.00 H new ATOM 0 HG LEU A 83 5.404 -8.880 -7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.820 -8.712 -9.555 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.211 -7.113 -8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 83 6.402 -7.969 -9.888 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.969 -10.752 -8.679 1.00 0.00 H new ATOM 0 HD22 LEU A 83 7.549 -10.004 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 83 7.174 -10.605 -7.378 1.00 0.00 H new ATOM 1151 N GLN A 84 7.972 -5.361 -5.701 1.00 0.00 N ATOM 1152 CA GLN A 84 8.959 -4.352 -5.213 1.00 0.00 C ATOM 1153 C GLN A 84 8.234 -3.331 -4.342 1.00 0.00 C ATOM 1154 O GLN A 84 7.029 -3.195 -4.409 1.00 0.00 O ATOM 1155 CB GLN A 84 9.599 -3.636 -6.403 1.00 0.00 C ATOM 1156 CG GLN A 84 10.878 -4.364 -6.821 1.00 0.00 C ATOM 1157 CD GLN A 84 10.636 -5.120 -8.128 1.00 0.00 C ATOM 1158 OE1 GLN A 84 10.084 -6.202 -8.125 1.00 0.00 O ATOM 1159 NE2 GLN A 84 11.031 -4.593 -9.254 1.00 0.00 N ATOM 0 H GLN A 84 7.257 -5.001 -6.333 1.00 0.00 H new ATOM 0 HA GLN A 84 9.736 -4.852 -4.635 1.00 0.00 H new ATOM 0 HB2 GLN A 84 8.899 -3.603 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 84 9.828 -2.604 -6.138 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.690 -3.648 -6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.185 -5.059 -6.039 1.00 0.00 H new ATOM 0 HE21 GLN A 84 11.495 -3.684 -9.257 1.00 0.00 H new ATOM 0 HE22 GLN A 84 10.876 -5.089 -10.131 1.00 0.00 H new ATOM 1168 N LEU A 85 8.946 -2.611 -3.518 1.00 0.00 N ATOM 1169 CA LEU A 85 8.268 -1.610 -2.654 1.00 0.00 C ATOM 1170 C LEU A 85 9.070 -0.311 -2.626 1.00 0.00 C ATOM 1171 O LEU A 85 9.989 -0.159 -1.849 1.00 0.00 O ATOM 1172 CB LEU A 85 8.160 -2.159 -1.238 1.00 0.00 C ATOM 1173 CG LEU A 85 6.805 -1.792 -0.651 1.00 0.00 C ATOM 1174 CD1 LEU A 85 6.450 -2.781 0.460 1.00 0.00 C ATOM 1175 CD2 LEU A 85 6.881 -0.376 -0.075 1.00 0.00 C ATOM 0 H LEU A 85 9.958 -2.673 -3.408 1.00 0.00 H new ATOM 0 HA LEU A 85 7.274 -1.410 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 85 8.283 -3.242 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 85 8.959 -1.753 -0.618 1.00 0.00 H new ATOM 0 HG LEU A 85 6.040 -1.832 -1.426 1.00 0.00 H new ATOM 0 HD11 LEU A 85 5.480 -2.521 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 85 6.408 -3.790 0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 85 7.209 -2.739 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.914 -0.103 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 85 7.642 -0.341 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 85 7.141 0.326 -0.868 1.00 0.00 H new ATOM 1187 N GLY A 86 8.719 0.629 -3.460 1.00 0.00 N ATOM 1188 CA GLY A 86 9.448 1.929 -3.481 1.00 0.00 C ATOM 1189 C GLY A 86 10.953 1.683 -3.576 1.00 0.00 C ATOM 1190 O GLY A 86 11.523 1.673 -4.648 1.00 0.00 O ATOM 0 H GLY A 86 7.955 0.552 -4.131 1.00 0.00 H new ATOM 0 HA2 GLY A 86 9.115 2.528 -4.328 1.00 0.00 H new ATOM 0 HA3 GLY A 86 9.220 2.498 -2.579 1.00 0.00 H new ATOM 1194 N GLY A 87 11.603 1.485 -2.463 1.00 0.00 N ATOM 1195 CA GLY A 87 13.085 1.242 -2.504 1.00 0.00 C ATOM 1196 C GLY A 87 13.406 -0.127 -1.901 1.00 0.00 C ATOM 1197 O GLY A 87 14.210 -0.242 -0.999 1.00 0.00 O ATOM 0 H GLY A 87 11.184 1.479 -1.533 1.00 0.00 H new ATOM 0 HA2 GLY A 87 13.441 1.288 -3.533 1.00 0.00 H new ATOM 0 HA3 GLY A 87 13.606 2.024 -1.951 1.00 0.00 H new ATOM 1201 N THR A 88 12.811 -1.173 -2.413 1.00 0.00 N ATOM 1202 CA THR A 88 13.112 -2.525 -1.895 1.00 0.00 C ATOM 1203 C THR A 88 12.517 -3.532 -2.871 1.00 0.00 C ATOM 1204 O THR A 88 11.510 -3.283 -3.502 1.00 0.00 O ATOM 1205 CB THR A 88 12.504 -2.745 -0.480 1.00 0.00 C ATOM 1206 OG1 THR A 88 13.376 -3.586 0.254 1.00 0.00 O ATOM 1207 CG2 THR A 88 11.143 -3.448 -0.555 1.00 0.00 C ATOM 0 H THR A 88 12.128 -1.141 -3.170 1.00 0.00 H new ATOM 0 HA THR A 88 14.191 -2.648 -1.806 1.00 0.00 H new ATOM 0 HB THR A 88 12.377 -1.770 -0.009 1.00 0.00 H new ATOM 0 HG1 THR A 88 12.850 -4.179 0.830 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.748 -3.585 0.452 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.451 -2.839 -1.136 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.261 -4.420 -1.034 1.00 0.00 H new ATOM 1215 N ALA A 89 13.106 -4.672 -2.973 1.00 0.00 N ATOM 1216 CA ALA A 89 12.549 -5.702 -3.873 1.00 0.00 C ATOM 1217 C ALA A 89 12.259 -6.961 -3.061 1.00 0.00 C ATOM 1218 O ALA A 89 13.142 -7.551 -2.470 1.00 0.00 O ATOM 1219 CB ALA A 89 13.540 -6.009 -4.979 1.00 0.00 C ATOM 0 H ALA A 89 13.953 -4.940 -2.472 1.00 0.00 H new ATOM 0 HA ALA A 89 11.626 -5.340 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 89 13.124 -6.769 -5.640 1.00 0.00 H new ATOM 0 HB2 ALA A 89 13.740 -5.102 -5.550 1.00 0.00 H new ATOM 0 HB3 ALA A 89 14.469 -6.376 -4.543 1.00 0.00 H new ATOM 1225 N MET A 90 11.023 -7.365 -3.013 1.00 0.00 N ATOM 1226 CA MET A 90 10.666 -8.572 -2.225 1.00 0.00 C ATOM 1227 C MET A 90 11.393 -9.789 -2.788 1.00 0.00 C ATOM 1228 O MET A 90 12.177 -10.420 -2.107 1.00 0.00 O ATOM 1229 CB MET A 90 9.155 -8.809 -2.298 1.00 0.00 C ATOM 1230 CG MET A 90 8.440 -7.905 -1.291 1.00 0.00 C ATOM 1231 SD MET A 90 8.694 -6.171 -1.739 1.00 0.00 S ATOM 1232 CE MET A 90 9.102 -5.574 -0.081 1.00 0.00 C ATOM 0 H MET A 90 10.243 -6.910 -3.487 1.00 0.00 H new ATOM 0 HA MET A 90 10.962 -8.419 -1.187 1.00 0.00 H new ATOM 0 HB2 MET A 90 8.794 -8.604 -3.306 1.00 0.00 H new ATOM 0 HB3 MET A 90 8.931 -9.854 -2.086 1.00 0.00 H new ATOM 0 HG2 MET A 90 7.374 -8.134 -1.275 1.00 0.00 H new ATOM 0 HG3 MET A 90 8.821 -8.091 -0.287 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.649 -4.595 0.075 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.719 -6.273 0.662 1.00 0.00 H new ATOM 0 HE3 MET A 90 10.184 -5.494 0.021 1.00 0.00 H new ATOM 1242 N GLN A 91 11.117 -10.152 -4.011 1.00 0.00 N ATOM 1243 CA GLN A 91 11.782 -11.375 -4.576 1.00 0.00 C ATOM 1244 C GLN A 91 13.270 -11.490 -4.170 1.00 0.00 C ATOM 1245 O GLN A 91 13.756 -12.586 -3.975 1.00 0.00 O ATOM 1246 CB GLN A 91 11.609 -11.420 -6.110 1.00 0.00 C ATOM 1247 CG GLN A 91 10.180 -11.865 -6.474 1.00 0.00 C ATOM 1248 CD GLN A 91 9.166 -11.296 -5.478 1.00 0.00 C ATOM 1249 OE1 GLN A 91 9.025 -10.096 -5.356 1.00 0.00 O ATOM 1250 NE2 GLN A 91 8.450 -12.113 -4.755 1.00 0.00 N ATOM 0 H GLN A 91 10.473 -9.670 -4.638 1.00 0.00 H new ATOM 0 HA GLN A 91 11.284 -12.243 -4.143 1.00 0.00 H new ATOM 0 HB2 GLN A 91 11.810 -10.436 -6.534 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.333 -12.109 -6.544 1.00 0.00 H new ATOM 0 HG2 GLN A 91 9.935 -11.530 -7.482 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.122 -12.953 -6.477 1.00 0.00 H new ATOM 0 HE21 GLN A 91 8.568 -13.121 -4.857 1.00 0.00 H new ATOM 0 HE22 GLN A 91 7.772 -11.744 -4.088 1.00 0.00 H new ATOM 1259 N GLY A 92 13.997 -10.419 -3.991 1.00 0.00 N ATOM 1260 CA GLY A 92 15.408 -10.569 -3.550 1.00 0.00 C ATOM 1261 C GLY A 92 15.475 -10.032 -2.128 1.00 0.00 C ATOM 1262 O GLY A 92 16.334 -9.244 -1.786 1.00 0.00 O ATOM 0 H GLY A 92 13.678 -9.460 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 92 15.717 -11.614 -3.585 1.00 0.00 H new ATOM 0 HA3 GLY A 92 16.080 -10.016 -4.206 1.00 0.00 H new ATOM 1266 N LEU A 93 14.544 -10.440 -1.306 1.00 0.00 N ATOM 1267 CA LEU A 93 14.496 -9.943 0.085 1.00 0.00 C ATOM 1268 C LEU A 93 13.605 -10.880 0.896 1.00 0.00 C ATOM 1269 O LEU A 93 12.631 -11.408 0.399 1.00 0.00 O ATOM 1270 CB LEU A 93 13.873 -8.537 0.088 1.00 0.00 C ATOM 1271 CG LEU A 93 14.906 -7.494 -0.349 1.00 0.00 C ATOM 1272 CD1 LEU A 93 14.321 -6.092 -0.174 1.00 0.00 C ATOM 1273 CD2 LEU A 93 16.170 -7.632 0.504 1.00 0.00 C ATOM 0 H LEU A 93 13.810 -11.105 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 93 15.498 -9.905 0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 93 13.015 -8.511 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 93 13.505 -8.298 1.086 1.00 0.00 H new ATOM 0 HG LEU A 93 15.160 -7.654 -1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.056 -5.350 -0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.424 -5.993 -0.786 1.00 0.00 H new ATOM 0 HD13 LEU A 93 14.065 -5.933 0.874 1.00 0.00 H new ATOM 0 HD21 LEU A 93 16.903 -6.889 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 93 15.920 -7.475 1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 93 16.588 -8.630 0.376 1.00 0.00 H new ATOM 1285 N THR A 94 13.912 -11.077 2.139 1.00 0.00 N ATOM 1286 CA THR A 94 13.062 -11.963 2.973 1.00 0.00 C ATOM 1287 C THR A 94 11.731 -11.254 3.200 1.00 0.00 C ATOM 1288 O THR A 94 11.524 -10.159 2.717 1.00 0.00 O ATOM 1289 CB THR A 94 13.755 -12.221 4.314 1.00 0.00 C ATOM 1290 OG1 THR A 94 15.076 -11.700 4.268 1.00 0.00 O ATOM 1291 CG2 THR A 94 13.810 -13.726 4.581 1.00 0.00 C ATOM 0 H THR A 94 14.714 -10.664 2.616 1.00 0.00 H new ATOM 0 HA THR A 94 12.899 -12.920 2.477 1.00 0.00 H new ATOM 0 HB THR A 94 13.196 -11.732 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 94 15.532 -11.890 5.114 1.00 0.00 H new ATOM 0 HG21 THR A 94 14.303 -13.908 5.536 1.00 0.00 H new ATOM 0 HG22 THR A 94 12.797 -14.127 4.614 1.00 0.00 H new ATOM 0 HG23 THR A 94 14.369 -14.217 3.784 1.00 0.00 H new ATOM 1299 N ARG A 95 10.824 -11.841 3.924 1.00 0.00 N ATOM 1300 CA ARG A 95 9.527 -11.133 4.144 1.00 0.00 C ATOM 1301 C ARG A 95 9.758 -9.996 5.137 1.00 0.00 C ATOM 1302 O ARG A 95 9.551 -8.840 4.827 1.00 0.00 O ATOM 1303 CB ARG A 95 8.444 -12.084 4.686 1.00 0.00 C ATOM 1304 CG ARG A 95 7.200 -11.271 5.045 1.00 0.00 C ATOM 1305 CD ARG A 95 7.230 -10.908 6.529 1.00 0.00 C ATOM 1306 NE ARG A 95 7.354 -12.147 7.350 1.00 0.00 N ATOM 1307 CZ ARG A 95 6.380 -12.509 8.142 1.00 0.00 C ATOM 1308 NH1 ARG A 95 5.818 -11.632 8.928 1.00 0.00 N ATOM 1309 NH2 ARG A 95 5.969 -13.747 8.148 1.00 0.00 N ATOM 0 H ARG A 95 10.915 -12.756 4.365 1.00 0.00 H new ATOM 0 HA ARG A 95 9.174 -10.745 3.189 1.00 0.00 H new ATOM 0 HB2 ARG A 95 8.198 -12.838 3.939 1.00 0.00 H new ATOM 0 HB3 ARG A 95 8.814 -12.614 5.564 1.00 0.00 H new ATOM 0 HG2 ARG A 95 7.159 -10.365 4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.301 -11.845 4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.067 -10.241 6.733 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.321 -10.371 6.800 1.00 0.00 H new ATOM 0 HE ARG A 95 8.201 -12.713 7.293 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.139 -10.664 8.924 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.058 -11.915 9.546 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.408 -14.433 7.534 1.00 0.00 H new ATOM 0 HH22 ARG A 95 5.209 -14.029 8.767 1.00 0.00 H new ATOM 1323 N PHE A 96 10.188 -10.310 6.325 1.00 0.00 N ATOM 1324 CA PHE A 96 10.432 -9.237 7.323 1.00 0.00 C ATOM 1325 C PHE A 96 11.608 -8.366 6.874 1.00 0.00 C ATOM 1326 O PHE A 96 11.569 -7.158 6.987 1.00 0.00 O ATOM 1327 CB PHE A 96 10.751 -9.861 8.679 1.00 0.00 C ATOM 1328 CG PHE A 96 9.941 -9.170 9.745 1.00 0.00 C ATOM 1329 CD1 PHE A 96 8.567 -9.412 9.839 1.00 0.00 C ATOM 1330 CD2 PHE A 96 10.562 -8.289 10.636 1.00 0.00 C ATOM 1331 CE1 PHE A 96 7.810 -8.772 10.828 1.00 0.00 C ATOM 1332 CE2 PHE A 96 9.805 -7.647 11.626 1.00 0.00 C ATOM 1333 CZ PHE A 96 8.430 -7.890 11.722 1.00 0.00 C ATOM 0 H PHE A 96 10.380 -11.259 6.646 1.00 0.00 H new ATOM 0 HA PHE A 96 9.538 -8.619 7.407 1.00 0.00 H new ATOM 0 HB2 PHE A 96 10.522 -10.927 8.665 1.00 0.00 H new ATOM 0 HB3 PHE A 96 11.815 -9.766 8.895 1.00 0.00 H new ATOM 0 HD1 PHE A 96 8.090 -10.092 9.149 1.00 0.00 H new ATOM 0 HD2 PHE A 96 11.623 -8.103 10.562 1.00 0.00 H new ATOM 0 HE1 PHE A 96 6.749 -8.958 10.901 1.00 0.00 H new ATOM 0 HE2 PHE A 96 10.283 -6.965 12.314 1.00 0.00 H new ATOM 0 HZ PHE A 96 7.847 -7.397 12.486 1.00 0.00 H new ATOM 1343 N GLU A 97 12.656 -8.962 6.368 1.00 0.00 N ATOM 1344 CA GLU A 97 13.815 -8.132 5.924 1.00 0.00 C ATOM 1345 C GLU A 97 13.342 -7.151 4.845 1.00 0.00 C ATOM 1346 O GLU A 97 13.741 -6.006 4.826 1.00 0.00 O ATOM 1347 CB GLU A 97 14.978 -9.022 5.405 1.00 0.00 C ATOM 1348 CG GLU A 97 15.248 -8.758 3.925 1.00 0.00 C ATOM 1349 CD GLU A 97 16.483 -9.546 3.478 1.00 0.00 C ATOM 1350 OE1 GLU A 97 17.034 -10.259 4.299 1.00 0.00 O ATOM 1351 OE2 GLU A 97 16.853 -9.424 2.322 1.00 0.00 O ATOM 0 H GLU A 97 12.760 -9.969 6.244 1.00 0.00 H new ATOM 0 HA GLU A 97 14.201 -7.570 6.775 1.00 0.00 H new ATOM 0 HB2 GLU A 97 15.880 -8.823 5.984 1.00 0.00 H new ATOM 0 HB3 GLU A 97 14.730 -10.073 5.552 1.00 0.00 H new ATOM 0 HG2 GLU A 97 14.383 -9.050 3.330 1.00 0.00 H new ATOM 0 HG3 GLU A 97 15.404 -7.692 3.758 1.00 0.00 H new ATOM 1358 N ALA A 98 12.499 -7.587 3.946 1.00 0.00 N ATOM 1359 CA ALA A 98 12.022 -6.674 2.871 1.00 0.00 C ATOM 1360 C ALA A 98 11.277 -5.487 3.473 1.00 0.00 C ATOM 1361 O ALA A 98 11.673 -4.347 3.328 1.00 0.00 O ATOM 1362 CB ALA A 98 11.087 -7.438 1.933 1.00 0.00 C ATOM 0 H ALA A 98 12.122 -8.534 3.911 1.00 0.00 H new ATOM 0 HA ALA A 98 12.883 -6.304 2.315 1.00 0.00 H new ATOM 0 HB1 ALA A 98 10.737 -6.771 1.145 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.624 -8.276 1.487 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.233 -7.813 2.497 1.00 0.00 H new ATOM 1368 N TRP A 99 10.194 -5.746 4.134 1.00 0.00 N ATOM 1369 CA TRP A 99 9.397 -4.631 4.741 1.00 0.00 C ATOM 1370 C TRP A 99 10.313 -3.683 5.533 1.00 0.00 C ATOM 1371 O TRP A 99 9.979 -2.535 5.752 1.00 0.00 O ATOM 1372 CB TRP A 99 8.330 -5.238 5.661 1.00 0.00 C ATOM 1373 CG TRP A 99 7.517 -4.169 6.317 1.00 0.00 C ATOM 1374 CD1 TRP A 99 7.098 -4.205 7.605 1.00 0.00 C ATOM 1375 CD2 TRP A 99 7.003 -2.926 5.755 1.00 0.00 C ATOM 1376 NE1 TRP A 99 6.363 -3.066 7.868 1.00 0.00 N ATOM 1377 CE2 TRP A 99 6.277 -2.245 6.762 1.00 0.00 C ATOM 1378 CE3 TRP A 99 7.095 -2.324 4.487 1.00 0.00 C ATOM 1379 CZ2 TRP A 99 5.664 -1.018 6.518 1.00 0.00 C ATOM 1380 CZ3 TRP A 99 6.480 -1.088 4.240 1.00 0.00 C ATOM 1381 CH2 TRP A 99 5.766 -0.436 5.254 1.00 0.00 C ATOM 0 H TRP A 99 9.816 -6.681 4.287 1.00 0.00 H new ATOM 0 HA TRP A 99 8.918 -4.050 3.953 1.00 0.00 H new ATOM 0 HB2 TRP A 99 7.678 -5.893 5.084 1.00 0.00 H new ATOM 0 HB3 TRP A 99 8.809 -5.854 6.422 1.00 0.00 H new ATOM 0 HD1 TRP A 99 7.305 -4.996 8.311 1.00 0.00 H new ATOM 0 HE1 TRP A 99 5.936 -2.857 8.770 1.00 0.00 H new ATOM 0 HE3 TRP A 99 7.643 -2.817 3.698 1.00 0.00 H new ATOM 0 HZ2 TRP A 99 5.113 -0.520 7.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 99 6.557 -0.636 3.262 1.00 0.00 H new ATOM 0 HH2 TRP A 99 5.295 0.516 5.057 1.00 0.00 H new ATOM 1392 N ASN A 100 11.460 -4.142 5.968 1.00 0.00 N ATOM 1393 CA ASN A 100 12.373 -3.247 6.745 1.00 0.00 C ATOM 1394 C ASN A 100 13.152 -2.312 5.801 1.00 0.00 C ATOM 1395 O ASN A 100 13.225 -1.121 6.031 1.00 0.00 O ATOM 1396 CB ASN A 100 13.355 -4.092 7.562 1.00 0.00 C ATOM 1397 CG ASN A 100 12.611 -4.750 8.725 1.00 0.00 C ATOM 1398 OD1 ASN A 100 11.826 -4.112 9.398 1.00 0.00 O ATOM 1399 ND2 ASN A 100 12.826 -6.009 8.991 1.00 0.00 N ATOM 0 H ASN A 100 11.802 -5.091 5.820 1.00 0.00 H new ATOM 0 HA ASN A 100 11.770 -2.637 7.418 1.00 0.00 H new ATOM 0 HB2 ASN A 100 13.811 -4.854 6.929 1.00 0.00 H new ATOM 0 HB3 ASN A 100 14.164 -3.466 7.940 1.00 0.00 H new ATOM 0 HD21 ASN A 100 12.335 -6.458 9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 100 13.485 -6.544 8.426 1.00 0.00 H new ATOM 1406 N ILE A 101 13.738 -2.824 4.743 1.00 0.00 N ATOM 1407 CA ILE A 101 14.501 -1.939 3.815 1.00 0.00 C ATOM 1408 C ILE A 101 13.645 -0.736 3.447 1.00 0.00 C ATOM 1409 O ILE A 101 14.126 0.375 3.346 1.00 0.00 O ATOM 1410 CB ILE A 101 14.819 -2.704 2.536 1.00 0.00 C ATOM 1411 CG1 ILE A 101 15.842 -3.788 2.826 1.00 0.00 C ATOM 1412 CG2 ILE A 101 15.351 -1.747 1.471 1.00 0.00 C ATOM 1413 CD1 ILE A 101 15.098 -5.114 2.880 1.00 0.00 C ATOM 0 H ILE A 101 13.719 -3.811 4.486 1.00 0.00 H new ATOM 0 HA ILE A 101 15.420 -1.615 4.303 1.00 0.00 H new ATOM 0 HB ILE A 101 13.907 -3.169 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 101 16.608 -3.809 2.051 1.00 0.00 H new ATOM 0 HG13 ILE A 101 16.349 -3.594 3.771 1.00 0.00 H new ATOM 0 HG21 ILE A 101 15.575 -2.304 0.561 1.00 0.00 H new ATOM 0 HG22 ILE A 101 14.599 -0.988 1.256 1.00 0.00 H new ATOM 0 HG23 ILE A 101 16.259 -1.266 1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 101 15.803 -5.919 3.087 1.00 0.00 H new ATOM 0 HD12 ILE A 101 14.347 -5.078 3.669 1.00 0.00 H new ATOM 0 HD13 ILE A 101 14.610 -5.297 1.923 1.00 0.00 H new ATOM 1425 N ILE A 102 12.381 -0.951 3.237 1.00 0.00 N ATOM 1426 CA ILE A 102 11.497 0.182 2.865 1.00 0.00 C ATOM 1427 C ILE A 102 11.503 1.196 4.000 1.00 0.00 C ATOM 1428 O ILE A 102 11.845 2.343 3.823 1.00 0.00 O ATOM 1429 CB ILE A 102 10.094 -0.356 2.674 1.00 0.00 C ATOM 1430 CG1 ILE A 102 9.971 -1.016 1.326 1.00 0.00 C ATOM 1431 CG2 ILE A 102 9.052 0.757 2.797 1.00 0.00 C ATOM 1432 CD1 ILE A 102 9.667 -2.478 1.600 1.00 0.00 C ATOM 0 H ILE A 102 11.922 -1.859 3.306 1.00 0.00 H new ATOM 0 HA ILE A 102 11.842 0.659 1.947 1.00 0.00 H new ATOM 0 HB ILE A 102 9.908 -1.090 3.458 1.00 0.00 H new ATOM 0 HG12 ILE A 102 9.177 -0.556 0.738 1.00 0.00 H new ATOM 0 HG13 ILE A 102 10.893 -0.910 0.754 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.055 0.339 2.655 1.00 0.00 H new ATOM 0 HG22 ILE A 102 9.118 1.210 3.786 1.00 0.00 H new ATOM 0 HG23 ILE A 102 9.239 1.516 2.037 1.00 0.00 H new ATOM 0 HD11 ILE A 102 9.566 -3.012 0.655 1.00 0.00 H new ATOM 0 HD12 ILE A 102 10.480 -2.916 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.737 -2.557 2.163 1.00 0.00 H new ATOM 1444 N LYS A 103 11.124 0.769 5.168 1.00 0.00 N ATOM 1445 CA LYS A 103 11.102 1.707 6.334 1.00 0.00 C ATOM 1446 C LYS A 103 12.339 2.604 6.281 1.00 0.00 C ATOM 1447 O LYS A 103 12.335 3.724 6.752 1.00 0.00 O ATOM 1448 CB LYS A 103 11.123 0.912 7.643 1.00 0.00 C ATOM 1449 CG LYS A 103 9.895 0.006 7.726 1.00 0.00 C ATOM 1450 CD LYS A 103 8.799 0.702 8.538 1.00 0.00 C ATOM 1451 CE LYS A 103 8.902 0.280 10.005 1.00 0.00 C ATOM 1452 NZ LYS A 103 7.582 -0.232 10.468 1.00 0.00 N ATOM 0 H LYS A 103 10.828 -0.186 5.372 1.00 0.00 H new ATOM 0 HA LYS A 103 10.196 2.312 6.290 1.00 0.00 H new ATOM 0 HB2 LYS A 103 12.032 0.312 7.699 1.00 0.00 H new ATOM 0 HB3 LYS A 103 11.139 1.595 8.492 1.00 0.00 H new ATOM 0 HG2 LYS A 103 9.530 -0.222 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 103 10.161 -0.943 8.193 1.00 0.00 H new ATOM 0 HD2 LYS A 103 8.900 1.784 8.452 1.00 0.00 H new ATOM 0 HD3 LYS A 103 7.818 0.441 8.142 1.00 0.00 H new ATOM 0 HE2 LYS A 103 9.664 -0.491 10.120 1.00 0.00 H new ATOM 0 HE3 LYS A 103 9.211 1.127 10.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 7.651 -0.519 11.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 6.866 0.516 10.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 7.305 -1.051 9.890 1.00 0.00 H new ATOM 1466 N ALA A 104 13.400 2.108 5.716 1.00 0.00 N ATOM 1467 CA ALA A 104 14.657 2.909 5.629 1.00 0.00 C ATOM 1468 C ALA A 104 14.601 3.912 4.464 1.00 0.00 C ATOM 1469 O ALA A 104 15.266 4.929 4.489 1.00 0.00 O ATOM 1470 CB ALA A 104 15.841 1.962 5.420 1.00 0.00 C ATOM 0 H ALA A 104 13.455 1.175 5.306 1.00 0.00 H new ATOM 0 HA ALA A 104 14.773 3.468 6.557 1.00 0.00 H new ATOM 0 HB1 ALA A 104 16.763 2.540 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 104 15.905 1.269 6.259 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.699 1.401 4.496 1.00 0.00 H new ATOM 1476 N LEU A 105 13.832 3.642 3.443 1.00 0.00 N ATOM 1477 CA LEU A 105 13.769 4.595 2.291 1.00 0.00 C ATOM 1478 C LEU A 105 13.417 6.004 2.809 1.00 0.00 C ATOM 1479 O LEU A 105 13.184 6.167 3.991 1.00 0.00 O ATOM 1480 CB LEU A 105 12.741 4.072 1.253 1.00 0.00 C ATOM 1481 CG LEU A 105 11.310 3.901 1.821 1.00 0.00 C ATOM 1482 CD1 LEU A 105 11.094 4.681 3.123 1.00 0.00 C ATOM 1483 CD2 LEU A 105 10.309 4.403 0.779 1.00 0.00 C ATOM 0 H LEU A 105 13.248 2.810 3.354 1.00 0.00 H new ATOM 0 HA LEU A 105 14.736 4.664 1.793 1.00 0.00 H new ATOM 0 HB2 LEU A 105 12.707 4.762 0.410 1.00 0.00 H new ATOM 0 HB3 LEU A 105 13.085 3.113 0.866 1.00 0.00 H new ATOM 0 HG LEU A 105 11.167 2.843 2.043 1.00 0.00 H new ATOM 0 HD11 LEU A 105 10.075 4.525 3.476 1.00 0.00 H new ATOM 0 HD12 LEU A 105 11.797 4.330 3.878 1.00 0.00 H new ATOM 0 HD13 LEU A 105 11.257 5.743 2.942 1.00 0.00 H new ATOM 0 HD21 LEU A 105 9.296 4.289 1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 105 10.501 5.455 0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 105 10.416 3.823 -0.138 1.00 0.00 H new ATOM 1495 N PRO A 106 13.386 6.986 1.933 1.00 0.00 N ATOM 1496 CA PRO A 106 13.065 8.367 2.325 1.00 0.00 C ATOM 1497 C PRO A 106 11.549 8.558 2.429 1.00 0.00 C ATOM 1498 O PRO A 106 10.779 7.666 2.132 1.00 0.00 O ATOM 1499 CB PRO A 106 13.656 9.211 1.193 1.00 0.00 C ATOM 1500 CG PRO A 106 13.774 8.278 -0.034 1.00 0.00 C ATOM 1501 CD PRO A 106 13.676 6.832 0.490 1.00 0.00 C ATOM 0 HA PRO A 106 13.466 8.640 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 106 13.016 10.065 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 106 14.631 9.608 1.474 1.00 0.00 H new ATOM 0 HG2 PRO A 106 12.980 8.483 -0.752 1.00 0.00 H new ATOM 0 HG3 PRO A 106 14.720 8.438 -0.551 1.00 0.00 H new ATOM 0 HD2 PRO A 106 12.887 6.277 -0.018 1.00 0.00 H new ATOM 0 HD3 PRO A 106 14.605 6.286 0.327 1.00 0.00 H new ATOM 1509 N ASP A 107 11.117 9.712 2.856 1.00 0.00 N ATOM 1510 CA ASP A 107 9.656 9.961 2.989 1.00 0.00 C ATOM 1511 C ASP A 107 9.139 10.671 1.738 1.00 0.00 C ATOM 1512 O ASP A 107 9.129 11.885 1.659 1.00 0.00 O ATOM 1513 CB ASP A 107 9.399 10.838 4.217 1.00 0.00 C ATOM 1514 CG ASP A 107 9.856 10.100 5.477 1.00 0.00 C ATOM 1515 OD1 ASP A 107 9.964 8.887 5.424 1.00 0.00 O ATOM 1516 OD2 ASP A 107 10.092 10.763 6.474 1.00 0.00 O ATOM 0 H ASP A 107 11.715 10.495 3.119 1.00 0.00 H new ATOM 0 HA ASP A 107 9.136 9.010 3.104 1.00 0.00 H new ATOM 0 HB2 ASP A 107 9.935 11.782 4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 107 8.339 11.080 4.289 1.00 0.00 H new ATOM 1521 N GLY A 108 8.710 9.925 0.760 1.00 0.00 N ATOM 1522 CA GLY A 108 8.191 10.557 -0.490 1.00 0.00 C ATOM 1523 C GLY A 108 7.252 9.578 -1.205 1.00 0.00 C ATOM 1524 O GLY A 108 6.526 8.844 -0.567 1.00 0.00 O ATOM 0 H GLY A 108 8.695 8.905 0.769 1.00 0.00 H new ATOM 0 HA2 GLY A 108 7.660 11.478 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 108 9.019 10.827 -1.145 1.00 0.00 H new ATOM 1528 N PRO A 109 7.302 9.597 -2.514 1.00 0.00 N ATOM 1529 CA PRO A 109 6.470 8.717 -3.356 1.00 0.00 C ATOM 1530 C PRO A 109 7.051 7.304 -3.382 1.00 0.00 C ATOM 1531 O PRO A 109 7.993 7.018 -4.094 1.00 0.00 O ATOM 1532 CB PRO A 109 6.547 9.367 -4.740 1.00 0.00 C ATOM 1533 CG PRO A 109 7.834 10.224 -4.751 1.00 0.00 C ATOM 1534 CD PRO A 109 8.194 10.495 -3.279 1.00 0.00 C ATOM 0 HA PRO A 109 5.446 8.618 -2.996 1.00 0.00 H new ATOM 0 HB2 PRO A 109 6.579 8.610 -5.523 1.00 0.00 H new ATOM 0 HB3 PRO A 109 5.668 9.984 -4.928 1.00 0.00 H new ATOM 0 HG2 PRO A 109 8.644 9.700 -5.258 1.00 0.00 H new ATOM 0 HG3 PRO A 109 7.673 11.158 -5.289 1.00 0.00 H new ATOM 0 HD2 PRO A 109 9.243 10.278 -3.080 1.00 0.00 H new ATOM 0 HD3 PRO A 109 8.029 11.540 -3.015 1.00 0.00 H new ATOM 1542 N VAL A 110 6.477 6.415 -2.622 1.00 0.00 N ATOM 1543 CA VAL A 110 6.970 5.018 -2.611 1.00 0.00 C ATOM 1544 C VAL A 110 6.273 4.296 -3.750 1.00 0.00 C ATOM 1545 O VAL A 110 5.067 4.208 -3.794 1.00 0.00 O ATOM 1546 CB VAL A 110 6.633 4.355 -1.267 1.00 0.00 C ATOM 1547 CG1 VAL A 110 5.311 4.888 -0.725 1.00 0.00 C ATOM 1548 CG2 VAL A 110 6.503 2.839 -1.431 1.00 0.00 C ATOM 0 H VAL A 110 5.685 6.600 -2.007 1.00 0.00 H new ATOM 0 HA VAL A 110 8.052 4.980 -2.736 1.00 0.00 H new ATOM 0 HB VAL A 110 7.442 4.586 -0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 110 5.088 4.407 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 110 5.386 5.966 -0.579 1.00 0.00 H new ATOM 0 HG13 VAL A 110 4.513 4.673 -1.436 1.00 0.00 H new ATOM 0 HG21 VAL A 110 6.264 2.388 -0.468 1.00 0.00 H new ATOM 0 HG22 VAL A 110 5.708 2.617 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 110 7.444 2.431 -1.799 1.00 0.00 H new ATOM 1558 N THR A 111 7.025 3.811 -4.688 1.00 0.00 N ATOM 1559 CA THR A 111 6.403 3.136 -5.855 1.00 0.00 C ATOM 1560 C THR A 111 6.166 1.663 -5.549 1.00 0.00 C ATOM 1561 O THR A 111 7.070 0.925 -5.216 1.00 0.00 O ATOM 1562 CB THR A 111 7.333 3.253 -7.066 1.00 0.00 C ATOM 1563 OG1 THR A 111 8.008 4.502 -7.026 1.00 0.00 O ATOM 1564 CG2 THR A 111 6.517 3.154 -8.357 1.00 0.00 C ATOM 0 H THR A 111 8.044 3.852 -4.699 1.00 0.00 H new ATOM 0 HA THR A 111 5.448 3.615 -6.070 1.00 0.00 H new ATOM 0 HB THR A 111 8.062 2.443 -7.039 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.605 4.576 -7.800 1.00 0.00 H new ATOM 0 HG21 THR A 111 7.183 3.238 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.002 2.194 -8.389 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.784 3.960 -8.387 1.00 0.00 H new ATOM 1572 N ILE A 112 4.943 1.238 -5.668 1.00 0.00 N ATOM 1573 CA ILE A 112 4.604 -0.175 -5.398 1.00 0.00 C ATOM 1574 C ILE A 112 4.232 -0.860 -6.708 1.00 0.00 C ATOM 1575 O ILE A 112 3.778 -0.230 -7.642 1.00 0.00 O ATOM 1576 CB ILE A 112 3.407 -0.233 -4.450 1.00 0.00 C ATOM 1577 CG1 ILE A 112 2.531 1.005 -4.645 1.00 0.00 C ATOM 1578 CG2 ILE A 112 3.894 -0.291 -3.003 1.00 0.00 C ATOM 1579 CD1 ILE A 112 1.295 0.890 -3.761 1.00 0.00 C ATOM 0 H ILE A 112 4.154 1.822 -5.946 1.00 0.00 H new ATOM 0 HA ILE A 112 5.459 -0.677 -4.946 1.00 0.00 H new ATOM 0 HB ILE A 112 2.823 -1.127 -4.670 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.091 1.905 -4.392 1.00 0.00 H new ATOM 0 HG13 ILE A 112 2.237 1.096 -5.691 1.00 0.00 H new ATOM 0 HG21 ILE A 112 3.036 -0.332 -2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 112 4.509 -1.180 -2.861 1.00 0.00 H new ATOM 0 HG23 ILE A 112 4.485 0.598 -2.782 1.00 0.00 H new ATOM 0 HD11 ILE A 112 0.667 1.771 -3.897 1.00 0.00 H new ATOM 0 HD12 ILE A 112 0.733 -0.002 -4.036 1.00 0.00 H new ATOM 0 HD13 ILE A 112 1.600 0.819 -2.717 1.00 0.00 H new ATOM 1591 N VAL A 113 4.396 -2.147 -6.781 1.00 0.00 N ATOM 1592 CA VAL A 113 4.023 -2.867 -8.022 1.00 0.00 C ATOM 1593 C VAL A 113 3.176 -4.060 -7.618 1.00 0.00 C ATOM 1594 O VAL A 113 3.676 -5.138 -7.364 1.00 0.00 O ATOM 1595 CB VAL A 113 5.260 -3.364 -8.763 1.00 0.00 C ATOM 1596 CG1 VAL A 113 5.069 -3.162 -10.268 1.00 0.00 C ATOM 1597 CG2 VAL A 113 6.504 -2.598 -8.300 1.00 0.00 C ATOM 0 H VAL A 113 4.772 -2.731 -6.034 1.00 0.00 H new ATOM 0 HA VAL A 113 3.480 -2.194 -8.686 1.00 0.00 H new ATOM 0 HB VAL A 113 5.397 -4.423 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 113 5.953 -3.517 -10.798 1.00 0.00 H new ATOM 0 HG12 VAL A 113 4.196 -3.722 -10.602 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.922 -2.102 -10.477 1.00 0.00 H new ATOM 0 HG21 VAL A 113 7.378 -2.964 -8.838 1.00 0.00 H new ATOM 0 HG22 VAL A 113 6.373 -1.535 -8.502 1.00 0.00 H new ATOM 0 HG23 VAL A 113 6.647 -2.749 -7.230 1.00 0.00 H new ATOM 1607 N ILE A 114 1.901 -3.869 -7.535 1.00 0.00 N ATOM 1608 CA ILE A 114 1.012 -4.985 -7.118 1.00 0.00 C ATOM 1609 C ILE A 114 0.571 -5.776 -8.344 1.00 0.00 C ATOM 1610 O ILE A 114 0.099 -5.227 -9.320 1.00 0.00 O ATOM 1611 CB ILE A 114 -0.219 -4.427 -6.393 1.00 0.00 C ATOM 1612 CG1 ILE A 114 -1.174 -3.782 -7.403 1.00 0.00 C ATOM 1613 CG2 ILE A 114 0.223 -3.375 -5.375 1.00 0.00 C ATOM 1614 CD1 ILE A 114 -2.082 -4.850 -8.016 1.00 0.00 C ATOM 0 H ILE A 114 1.429 -2.988 -7.737 1.00 0.00 H new ATOM 0 HA ILE A 114 1.558 -5.643 -6.442 1.00 0.00 H new ATOM 0 HB ILE A 114 -0.732 -5.242 -5.883 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -1.777 -3.019 -6.911 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -0.605 -3.282 -8.187 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -0.651 -2.978 -4.859 1.00 0.00 H new ATOM 0 HG22 ILE A 114 0.896 -3.831 -4.649 1.00 0.00 H new ATOM 0 HG23 ILE A 114 0.740 -2.565 -5.890 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -2.758 -4.385 -8.733 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -1.473 -5.598 -8.524 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -2.663 -5.330 -7.228 1.00 0.00 H new ATOM 1626 N ARG A 115 0.705 -7.068 -8.287 1.00 0.00 N ATOM 1627 CA ARG A 115 0.276 -7.914 -9.433 1.00 0.00 C ATOM 1628 C ARG A 115 -0.755 -8.911 -8.910 1.00 0.00 C ATOM 1629 O ARG A 115 -0.419 -9.889 -8.271 1.00 0.00 O ATOM 1630 CB ARG A 115 1.486 -8.662 -10.029 1.00 0.00 C ATOM 1631 CG ARG A 115 1.017 -9.925 -10.765 1.00 0.00 C ATOM 1632 CD ARG A 115 1.684 -9.996 -12.139 1.00 0.00 C ATOM 1633 NE ARG A 115 3.162 -9.883 -11.980 1.00 0.00 N ATOM 1634 CZ ARG A 115 3.870 -10.921 -11.620 1.00 0.00 C ATOM 1635 NH1 ARG A 115 3.302 -12.088 -11.468 1.00 0.00 N ATOM 1636 NH2 ARG A 115 5.150 -10.792 -11.405 1.00 0.00 N ATOM 0 H ARG A 115 1.094 -7.578 -7.494 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.155 -7.296 -10.221 1.00 0.00 H new ATOM 0 HB2 ARG A 115 2.023 -8.010 -10.717 1.00 0.00 H new ATOM 0 HB3 ARG A 115 2.183 -8.932 -9.236 1.00 0.00 H new ATOM 0 HG2 ARG A 115 1.267 -10.812 -10.182 1.00 0.00 H new ATOM 0 HG3 ARG A 115 -0.067 -9.912 -10.876 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.431 -10.936 -12.630 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.314 -9.193 -12.777 1.00 0.00 H new ATOM 0 HE ARG A 115 3.624 -8.990 -12.153 1.00 0.00 H new ATOM 0 HH11 ARG A 115 2.300 -12.193 -11.631 1.00 0.00 H new ATOM 0 HH12 ARG A 115 3.860 -12.894 -11.187 1.00 0.00 H new ATOM 0 HH21 ARG A 115 5.597 -9.882 -11.518 1.00 0.00 H new ATOM 0 HH22 ARG A 115 5.704 -11.601 -11.124 1.00 0.00 H new ATOM 1650 N ARG A 116 -2.008 -8.671 -9.165 1.00 0.00 N ATOM 1651 CA ARG A 116 -3.048 -9.608 -8.668 1.00 0.00 C ATOM 1652 C ARG A 116 -3.280 -10.694 -9.719 1.00 0.00 C ATOM 1653 O ARG A 116 -2.911 -10.546 -10.866 1.00 0.00 O ATOM 1654 CB ARG A 116 -4.352 -8.841 -8.430 1.00 0.00 C ATOM 1655 CG ARG A 116 -4.199 -7.941 -7.203 1.00 0.00 C ATOM 1656 CD ARG A 116 -5.558 -7.767 -6.525 1.00 0.00 C ATOM 1657 NE ARG A 116 -6.620 -7.660 -7.565 1.00 0.00 N ATOM 1658 CZ ARG A 116 -7.043 -6.486 -7.946 1.00 0.00 C ATOM 1659 NH1 ARG A 116 -6.403 -5.832 -8.877 1.00 0.00 N ATOM 1660 NH2 ARG A 116 -8.106 -5.967 -7.397 1.00 0.00 N ATOM 0 H ARG A 116 -2.356 -7.871 -9.693 1.00 0.00 H new ATOM 0 HA ARG A 116 -2.721 -10.063 -7.733 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.598 -8.241 -9.306 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -5.175 -9.540 -8.281 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -3.486 -8.379 -6.505 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -3.801 -6.970 -7.498 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -5.760 -8.613 -5.869 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -5.554 -6.873 -5.901 1.00 0.00 H new ATOM 0 HE ARG A 116 -7.016 -8.504 -7.979 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -5.572 -6.239 -9.307 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -6.734 -4.914 -9.175 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -8.606 -6.479 -6.670 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -8.437 -5.049 -7.694 1.00 0.00 H new