USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 386 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 Single : A 25 THR OG1 : rot -141:sc= -0.796 USER MOD Single : A 28 GLN :FLIP amide:sc= -2.66 F(o=-6.8!,f=-2.7) USER MOD Single : A 30 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -166:sc= -0.0135 (180deg=-0.267) USER MOD Single : A 38 LYS NZ :NH3+ -146:sc= -0.862 (180deg=-2.12!) USER MOD Single : A 39 GLN : amide:sc= -3.54! C(o=-3.5!,f=-4.2!) USER MOD Single : A 40 LYS NZ :NH3+ -153:sc= -0.0954 (180deg=-0.608) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 66:sc= 0.114 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 GLN :FLIP amide:sc= -1.18 F(o=-2.1!,f=-1.2) USER MOD Single : A 60 GLN : amide:sc= -5.94! C(o=-5.9!,f=-7.8!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 158:sc= -2.84 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 67 ASN : amide:sc= -0.369 X(o=-0.37,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 319 N PHE A 24 -12.724 -1.636 4.760 1.00 0.00 N ATOM 320 CA PHE A 24 -11.906 -1.916 5.934 1.00 0.00 C ATOM 321 C PHE A 24 -12.540 -1.327 7.192 1.00 0.00 C ATOM 322 O PHE A 24 -12.968 -0.173 7.203 1.00 0.00 O ATOM 323 CB PHE A 24 -10.497 -1.351 5.747 1.00 0.00 C ATOM 324 CG PHE A 24 -9.718 -2.033 4.659 1.00 0.00 C ATOM 325 CD1 PHE A 24 -9.391 -3.376 4.759 1.00 0.00 C ATOM 326 CD2 PHE A 24 -9.312 -1.331 3.536 1.00 0.00 C ATOM 327 CE1 PHE A 24 -8.673 -4.005 3.760 1.00 0.00 C ATOM 328 CE2 PHE A 24 -8.594 -1.955 2.532 1.00 0.00 C ATOM 329 CZ PHE A 24 -8.276 -3.294 2.644 1.00 0.00 C ATOM 0 HA PHE A 24 -11.843 -2.998 6.052 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -10.568 -0.287 5.520 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -9.950 -1.441 6.686 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -9.701 -3.938 5.628 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -9.559 -0.284 3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -8.422 -5.052 3.852 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -8.283 -1.396 1.662 1.00 0.00 H new ATOM 0 HZ PHE A 24 -7.718 -3.785 1.860 1.00 0.00 H new ATOM 339 N THR A 25 -12.596 -2.130 8.250 1.00 0.00 N ATOM 340 CA THR A 25 -13.178 -1.690 9.512 1.00 0.00 C ATOM 341 C THR A 25 -12.170 -0.897 10.336 1.00 0.00 C ATOM 342 O THR A 25 -10.969 -0.939 10.071 1.00 0.00 O ATOM 343 CB THR A 25 -13.678 -2.885 10.346 1.00 0.00 C ATOM 344 OG1 THR A 25 -12.584 -3.484 11.049 1.00 0.00 O ATOM 345 CG2 THR A 25 -14.346 -3.924 9.457 1.00 0.00 C ATOM 0 H THR A 25 -12.246 -3.088 8.258 1.00 0.00 H new ATOM 0 HA THR A 25 -14.024 -1.049 9.264 1.00 0.00 H new ATOM 0 HB THR A 25 -14.412 -2.517 11.063 1.00 0.00 H new ATOM 0 HG1 THR A 25 -12.687 -4.459 11.045 1.00 0.00 H new ATOM 0 HG21 THR A 25 -14.691 -4.758 10.068 1.00 0.00 H new ATOM 0 HG22 THR A 25 -15.196 -3.473 8.946 1.00 0.00 H new ATOM 0 HG23 THR A 25 -13.630 -4.286 8.719 1.00 0.00 H new ATOM 353 N GLU A 26 -12.667 -0.174 11.335 1.00 0.00 N ATOM 354 CA GLU A 26 -11.808 0.629 12.197 1.00 0.00 C ATOM 355 C GLU A 26 -10.632 -0.194 12.712 1.00 0.00 C ATOM 356 O GLU A 26 -9.499 0.287 12.767 1.00 0.00 O ATOM 357 CB GLU A 26 -12.609 1.188 13.375 1.00 0.00 C ATOM 358 CG GLU A 26 -13.400 2.440 13.034 1.00 0.00 C ATOM 359 CD GLU A 26 -14.123 3.017 14.235 1.00 0.00 C ATOM 360 OE1 GLU A 26 -13.523 3.048 15.330 1.00 0.00 O ATOM 361 OE2 GLU A 26 -15.288 3.438 14.081 1.00 0.00 O ATOM 0 H GLU A 26 -13.659 -0.128 11.567 1.00 0.00 H new ATOM 0 HA GLU A 26 -11.418 1.458 11.607 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -13.296 0.421 13.733 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.926 1.412 14.194 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -12.725 3.192 12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -14.126 2.206 12.255 1.00 0.00 H new ATOM 368 N LEU A 27 -10.908 -1.438 13.089 1.00 0.00 N ATOM 369 CA LEU A 27 -9.873 -2.330 13.601 1.00 0.00 C ATOM 370 C LEU A 27 -8.796 -2.575 12.549 1.00 0.00 C ATOM 371 O LEU A 27 -7.614 -2.335 12.791 1.00 0.00 O ATOM 372 CB LEU A 27 -10.489 -3.661 14.036 1.00 0.00 C ATOM 373 CG LEU A 27 -9.715 -4.444 15.097 1.00 0.00 C ATOM 374 CD1 LEU A 27 -10.157 -4.034 16.493 1.00 0.00 C ATOM 375 CD2 LEU A 27 -9.899 -5.941 14.895 1.00 0.00 C ATOM 0 H LEU A 27 -11.839 -1.852 13.050 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.410 -1.851 14.464 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -11.492 -3.467 14.416 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -10.599 -4.293 13.155 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.655 -4.211 14.991 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.595 -4.602 17.234 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -9.972 -2.969 16.635 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -11.221 -4.236 16.612 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.341 -6.483 15.659 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -10.957 -6.191 14.972 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.531 -6.223 13.909 1.00 0.00 H new ATOM 387 N GLN A 28 -9.215 -3.052 11.381 1.00 0.00 N ATOM 388 CA GLN A 28 -8.285 -3.327 10.292 1.00 0.00 C ATOM 389 C GLN A 28 -7.461 -2.090 9.953 1.00 0.00 C ATOM 390 O GLN A 28 -6.230 -2.137 9.933 1.00 0.00 O ATOM 391 CB GLN A 28 -9.045 -3.803 9.053 1.00 0.00 C ATOM 392 CG GLN A 28 -10.065 -4.892 9.345 1.00 0.00 C ATOM 393 CD GLN A 28 -9.447 -6.108 10.007 1.00 0.00 C ATOM 394 OE1 GLN A 28 -9.007 -5.946 11.250 1.00 0.00 O flip ATOM 395 NE2 GLN A 28 -9.365 -7.181 9.408 1.00 0.00 N flip ATOM 0 H GLN A 28 -10.191 -3.256 11.165 1.00 0.00 H new ATOM 0 HA GLN A 28 -7.606 -4.114 10.619 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.554 -2.952 8.600 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.330 -4.174 8.319 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -10.846 -4.489 9.990 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -10.545 -5.194 8.414 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.716 -7.260 8.454 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -8.946 -7.990 9.866 1.00 0.00 H new ATOM 404 N LEU A 29 -8.147 -0.983 9.687 1.00 0.00 N ATOM 405 CA LEU A 29 -7.478 0.268 9.349 1.00 0.00 C ATOM 406 C LEU A 29 -6.558 0.717 10.479 1.00 0.00 C ATOM 407 O LEU A 29 -5.455 1.208 10.238 1.00 0.00 O ATOM 408 CB LEU A 29 -8.511 1.357 9.053 1.00 0.00 C ATOM 409 CG LEU A 29 -9.232 1.252 7.709 1.00 0.00 C ATOM 410 CD1 LEU A 29 -10.307 2.321 7.595 1.00 0.00 C ATOM 411 CD2 LEU A 29 -8.239 1.366 6.561 1.00 0.00 C ATOM 0 H LEU A 29 -9.165 -0.927 9.699 1.00 0.00 H new ATOM 0 HA LEU A 29 -6.872 0.098 8.459 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.259 1.345 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.012 2.325 9.100 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.713 0.275 7.651 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -10.809 2.231 6.632 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.034 2.193 8.397 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -9.849 3.307 7.674 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -8.770 1.289 5.612 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.729 2.328 6.615 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.506 0.563 6.633 1.00 0.00 H new ATOM 423 N MET A 30 -7.018 0.544 11.714 1.00 0.00 N ATOM 424 CA MET A 30 -6.235 0.929 12.882 1.00 0.00 C ATOM 425 C MET A 30 -4.811 0.389 12.784 1.00 0.00 C ATOM 426 O MET A 30 -3.851 1.080 13.122 1.00 0.00 O ATOM 427 CB MET A 30 -6.900 0.415 14.161 1.00 0.00 C ATOM 428 CG MET A 30 -6.104 0.711 15.421 1.00 0.00 C ATOM 429 SD MET A 30 -7.152 0.900 16.876 1.00 0.00 S ATOM 430 CE MET A 30 -7.547 -0.810 17.233 1.00 0.00 C ATOM 0 H MET A 30 -7.929 0.140 11.931 1.00 0.00 H new ATOM 0 HA MET A 30 -6.191 2.018 12.916 1.00 0.00 H new ATOM 0 HB2 MET A 30 -7.889 0.864 14.252 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.045 -0.662 14.078 1.00 0.00 H new ATOM 0 HG2 MET A 30 -5.391 -0.095 15.594 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.525 1.623 15.274 1.00 0.00 H new ATOM 0 HE1 MET A 30 -8.192 -0.859 18.110 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.062 -1.250 16.379 1.00 0.00 H new ATOM 0 HE3 MET A 30 -6.628 -1.363 17.427 1.00 0.00 H new ATOM 440 N GLY A 31 -4.683 -0.850 12.318 1.00 0.00 N ATOM 441 CA GLY A 31 -3.373 -1.460 12.184 1.00 0.00 C ATOM 442 C GLY A 31 -2.681 -1.069 10.894 1.00 0.00 C ATOM 443 O GLY A 31 -1.514 -0.673 10.902 1.00 0.00 O ATOM 0 H GLY A 31 -5.463 -1.442 12.031 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -2.751 -1.167 13.030 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -3.475 -2.545 12.224 1.00 0.00 H new ATOM 447 N LEU A 32 -3.398 -1.180 9.782 1.00 0.00 N ATOM 448 CA LEU A 32 -2.845 -0.837 8.476 1.00 0.00 C ATOM 449 C LEU A 32 -2.157 0.524 8.518 1.00 0.00 C ATOM 450 O LEU A 32 -1.062 0.692 7.983 1.00 0.00 O ATOM 451 CB LEU A 32 -3.950 -0.830 7.418 1.00 0.00 C ATOM 452 CG LEU A 32 -4.453 -2.202 6.965 1.00 0.00 C ATOM 453 CD1 LEU A 32 -5.787 -2.070 6.247 1.00 0.00 C ATOM 454 CD2 LEU A 32 -3.427 -2.877 6.068 1.00 0.00 C ATOM 0 H LEU A 32 -4.365 -1.505 9.758 1.00 0.00 H new ATOM 0 HA LEU A 32 -2.104 -1.591 8.213 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.797 -0.266 7.809 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.585 -0.292 6.543 1.00 0.00 H new ATOM 0 HG LEU A 32 -4.598 -2.824 7.848 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.130 -3.056 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -6.521 -1.629 6.921 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.668 -1.431 5.372 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -3.802 -3.852 5.756 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.249 -2.258 5.189 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.494 -3.006 6.616 1.00 0.00 H new ATOM 466 N GLU A 33 -2.807 1.491 9.157 1.00 0.00 N ATOM 467 CA GLU A 33 -2.257 2.837 9.269 1.00 0.00 C ATOM 468 C GLU A 33 -1.014 2.844 10.154 1.00 0.00 C ATOM 469 O GLU A 33 -0.021 3.504 9.846 1.00 0.00 O ATOM 470 CB GLU A 33 -3.306 3.796 9.836 1.00 0.00 C ATOM 471 CG GLU A 33 -4.485 4.027 8.906 1.00 0.00 C ATOM 472 CD GLU A 33 -5.640 4.728 9.593 1.00 0.00 C ATOM 473 OE1 GLU A 33 -6.385 4.055 10.336 1.00 0.00 O ATOM 474 OE2 GLU A 33 -5.801 5.949 9.388 1.00 0.00 O ATOM 0 H GLU A 33 -3.715 1.368 9.605 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.974 3.170 8.271 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.673 3.401 10.783 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.832 4.753 10.052 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -4.159 4.622 8.053 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.827 3.069 8.514 1.00 0.00 H new ATOM 481 N LYS A 34 -1.076 2.106 11.257 1.00 0.00 N ATOM 482 CA LYS A 34 0.043 2.025 12.188 1.00 0.00 C ATOM 483 C LYS A 34 1.278 1.445 11.506 1.00 0.00 C ATOM 484 O LYS A 34 2.332 2.080 11.466 1.00 0.00 O ATOM 485 CB LYS A 34 -0.334 1.166 13.398 1.00 0.00 C ATOM 486 CG LYS A 34 0.460 1.497 14.650 1.00 0.00 C ATOM 487 CD LYS A 34 -0.199 2.607 15.452 1.00 0.00 C ATOM 488 CE LYS A 34 0.567 2.900 16.732 1.00 0.00 C ATOM 489 NZ LYS A 34 0.592 1.724 17.645 1.00 0.00 N ATOM 0 H LYS A 34 -1.890 1.555 11.528 1.00 0.00 H new ATOM 0 HA LYS A 34 0.276 3.035 12.525 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.396 1.294 13.607 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.182 0.116 13.149 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.552 0.605 15.270 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.470 1.798 14.372 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -0.256 3.511 14.846 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -1.222 2.322 15.696 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.588 3.190 16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 34 0.109 3.747 17.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 0.908 2.024 18.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -0.362 1.316 17.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.248 1.009 17.272 1.00 0.00 H new ATOM 503 N ARG A 35 1.140 0.237 10.969 1.00 0.00 N ATOM 504 CA ARG A 35 2.245 -0.427 10.288 1.00 0.00 C ATOM 505 C ARG A 35 2.737 0.407 9.109 1.00 0.00 C ATOM 506 O ARG A 35 3.870 0.889 9.105 1.00 0.00 O ATOM 507 CB ARG A 35 1.814 -1.812 9.802 1.00 0.00 C ATOM 508 CG ARG A 35 1.942 -2.896 10.860 1.00 0.00 C ATOM 509 CD ARG A 35 3.399 -3.175 11.197 1.00 0.00 C ATOM 510 NE ARG A 35 3.537 -4.250 12.176 1.00 0.00 N ATOM 511 CZ ARG A 35 3.207 -4.126 13.456 1.00 0.00 C ATOM 512 NH1 ARG A 35 2.720 -2.979 13.910 1.00 0.00 N ATOM 513 NH2 ARG A 35 3.362 -5.150 14.286 1.00 0.00 N ATOM 0 H ARG A 35 0.274 -0.302 10.992 1.00 0.00 H new ATOM 0 HA ARG A 35 3.063 -0.537 10.999 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.778 -1.764 9.467 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.417 -2.088 8.937 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.411 -2.591 11.762 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.468 -3.811 10.505 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.937 -3.442 10.287 1.00 0.00 H new ATOM 0 HD3 ARG A 35 3.861 -2.268 11.587 1.00 0.00 H new ATOM 0 HE ARG A 35 3.907 -5.146 11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 35 2.598 -2.190 13.275 1.00 0.00 H new ATOM 0 HH12 ARG A 35 2.467 -2.886 14.894 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.735 -6.034 13.941 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.108 -5.053 15.269 1.00 0.00 H new ATOM 527 N PHE A 36 1.877 0.574 8.109 1.00 0.00 N ATOM 528 CA PHE A 36 2.225 1.348 6.923 1.00 0.00 C ATOM 529 C PHE A 36 3.086 2.552 7.293 1.00 0.00 C ATOM 530 O PHE A 36 4.189 2.721 6.775 1.00 0.00 O ATOM 531 CB PHE A 36 0.958 1.815 6.204 1.00 0.00 C ATOM 532 CG PHE A 36 1.232 2.680 5.007 1.00 0.00 C ATOM 533 CD1 PHE A 36 1.783 3.942 5.161 1.00 0.00 C ATOM 534 CD2 PHE A 36 0.939 2.232 3.730 1.00 0.00 C ATOM 535 CE1 PHE A 36 2.035 4.741 4.062 1.00 0.00 C ATOM 536 CE2 PHE A 36 1.190 3.026 2.626 1.00 0.00 C ATOM 537 CZ PHE A 36 1.740 4.282 2.793 1.00 0.00 C ATOM 0 H PHE A 36 0.935 0.184 8.097 1.00 0.00 H new ATOM 0 HA PHE A 36 2.798 0.705 6.255 1.00 0.00 H new ATOM 0 HB2 PHE A 36 0.386 0.942 5.888 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.334 2.368 6.906 1.00 0.00 H new ATOM 0 HD1 PHE A 36 2.018 4.305 6.151 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.509 1.251 3.595 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.462 5.724 4.195 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.956 2.665 1.635 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.939 4.904 1.933 1.00 0.00 H new ATOM 547 N GLU A 37 2.572 3.386 8.192 1.00 0.00 N ATOM 548 CA GLU A 37 3.294 4.575 8.630 1.00 0.00 C ATOM 549 C GLU A 37 4.701 4.216 9.099 1.00 0.00 C ATOM 550 O GLU A 37 5.689 4.771 8.617 1.00 0.00 O ATOM 551 CB GLU A 37 2.532 5.275 9.757 1.00 0.00 C ATOM 552 CG GLU A 37 1.377 6.134 9.270 1.00 0.00 C ATOM 553 CD GLU A 37 1.839 7.317 8.442 1.00 0.00 C ATOM 554 OE1 GLU A 37 1.977 7.163 7.211 1.00 0.00 O ATOM 555 OE2 GLU A 37 2.063 8.398 9.027 1.00 0.00 O ATOM 0 H GLU A 37 1.660 3.260 8.631 1.00 0.00 H new ATOM 0 HA GLU A 37 3.375 5.253 7.780 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.149 4.523 10.447 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.226 5.899 10.320 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.699 5.522 8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.810 6.495 10.128 1.00 0.00 H new ATOM 562 N LYS A 38 4.784 3.284 10.042 1.00 0.00 N ATOM 563 CA LYS A 38 6.068 2.849 10.577 1.00 0.00 C ATOM 564 C LYS A 38 6.975 2.334 9.464 1.00 0.00 C ATOM 565 O LYS A 38 8.193 2.504 9.515 1.00 0.00 O ATOM 566 CB LYS A 38 5.862 1.756 11.628 1.00 0.00 C ATOM 567 CG LYS A 38 5.181 2.248 12.893 1.00 0.00 C ATOM 568 CD LYS A 38 5.293 1.234 14.018 1.00 0.00 C ATOM 569 CE LYS A 38 6.579 1.419 14.809 1.00 0.00 C ATOM 570 NZ LYS A 38 7.764 0.902 14.070 1.00 0.00 N ATOM 0 H LYS A 38 3.976 2.815 10.452 1.00 0.00 H new ATOM 0 HA LYS A 38 6.548 3.708 11.045 1.00 0.00 H new ATOM 0 HB2 LYS A 38 5.266 0.954 11.193 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.830 1.328 11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 38 5.630 3.191 13.206 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.130 2.449 12.687 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.437 1.333 14.685 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.260 0.226 13.605 1.00 0.00 H new ATOM 0 HE2 LYS A 38 6.721 2.477 15.029 1.00 0.00 H new ATOM 0 HE3 LYS A 38 6.494 0.903 15.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 8.450 0.509 14.746 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.463 0.157 13.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.207 1.678 13.538 1.00 0.00 H new ATOM 584 N GLN A 39 6.373 1.706 8.459 1.00 0.00 N ATOM 585 CA GLN A 39 7.128 1.168 7.333 1.00 0.00 C ATOM 586 C GLN A 39 6.352 1.330 6.031 1.00 0.00 C ATOM 587 O GLN A 39 5.274 0.759 5.862 1.00 0.00 O ATOM 588 CB GLN A 39 7.451 -0.309 7.568 1.00 0.00 C ATOM 589 CG GLN A 39 6.302 -1.093 8.181 1.00 0.00 C ATOM 590 CD GLN A 39 6.776 -2.269 9.013 1.00 0.00 C ATOM 591 OE1 GLN A 39 6.226 -2.552 10.078 1.00 0.00 O ATOM 592 NE2 GLN A 39 7.801 -2.961 8.530 1.00 0.00 N ATOM 0 H GLN A 39 5.366 1.557 8.401 1.00 0.00 H new ATOM 0 HA GLN A 39 8.060 1.728 7.251 1.00 0.00 H new ATOM 0 HB2 GLN A 39 7.727 -0.768 6.618 1.00 0.00 H new ATOM 0 HB3 GLN A 39 8.320 -0.383 8.222 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.706 -0.428 8.806 1.00 0.00 H new ATOM 0 HG3 GLN A 39 5.649 -1.455 7.387 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.226 -2.691 7.643 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.163 -3.763 9.046 1.00 0.00 H new ATOM 601 N LYS A 40 6.906 2.113 5.111 1.00 0.00 N ATOM 602 CA LYS A 40 6.267 2.350 3.822 1.00 0.00 C ATOM 603 C LYS A 40 5.948 1.033 3.122 1.00 0.00 C ATOM 604 O LYS A 40 5.172 0.999 2.167 1.00 0.00 O ATOM 605 CB LYS A 40 7.171 3.207 2.932 1.00 0.00 C ATOM 606 CG LYS A 40 7.154 4.683 3.290 1.00 0.00 C ATOM 607 CD LYS A 40 5.892 5.365 2.787 1.00 0.00 C ATOM 608 CE LYS A 40 5.554 6.594 3.617 1.00 0.00 C ATOM 609 NZ LYS A 40 5.229 6.240 5.026 1.00 0.00 N ATOM 0 H LYS A 40 7.797 2.594 5.235 1.00 0.00 H new ATOM 0 HA LYS A 40 5.332 2.882 4.000 1.00 0.00 H new ATOM 0 HB2 LYS A 40 8.194 2.836 3.003 1.00 0.00 H new ATOM 0 HB3 LYS A 40 6.861 3.090 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.223 4.797 4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.029 5.172 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 40 6.024 5.654 1.744 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.060 4.662 2.820 1.00 0.00 H new ATOM 0 HE2 LYS A 40 6.396 7.285 3.601 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.707 7.113 3.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.592 6.958 5.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 4.763 5.310 5.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 6.105 6.204 5.586 1.00 0.00 H new ATOM 623 N TYR A 41 6.550 -0.048 3.604 1.00 0.00 N ATOM 624 CA TYR A 41 6.330 -1.368 3.024 1.00 0.00 C ATOM 625 C TYR A 41 6.497 -2.460 4.075 1.00 0.00 C ATOM 626 O TYR A 41 6.713 -2.176 5.254 1.00 0.00 O ATOM 627 CB TYR A 41 7.300 -1.606 1.865 1.00 0.00 C ATOM 628 CG TYR A 41 7.563 -0.373 1.032 1.00 0.00 C ATOM 629 CD1 TYR A 41 6.684 0.010 0.025 1.00 0.00 C ATOM 630 CD2 TYR A 41 8.690 0.410 1.249 1.00 0.00 C ATOM 631 CE1 TYR A 41 6.921 1.136 -0.739 1.00 0.00 C ATOM 632 CE2 TYR A 41 8.934 1.538 0.491 1.00 0.00 C ATOM 633 CZ TYR A 41 8.046 1.897 -0.503 1.00 0.00 C ATOM 634 OH TYR A 41 8.286 3.020 -1.261 1.00 0.00 O ATOM 0 H TYR A 41 7.194 -0.037 4.395 1.00 0.00 H new ATOM 0 HA TYR A 41 5.308 -1.406 2.647 1.00 0.00 H new ATOM 0 HB2 TYR A 41 8.246 -1.973 2.264 1.00 0.00 H new ATOM 0 HB3 TYR A 41 6.899 -2.390 1.222 1.00 0.00 H new ATOM 0 HD1 TYR A 41 5.801 -0.583 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 41 9.388 0.131 2.025 1.00 0.00 H new ATOM 0 HE1 TYR A 41 6.228 1.419 -1.518 1.00 0.00 H new ATOM 0 HE2 TYR A 41 9.814 2.136 0.675 1.00 0.00 H new ATOM 0 HH TYR A 41 9.119 3.442 -0.965 1.00 0.00 H new ATOM 644 N LEU A 42 6.398 -3.711 3.640 1.00 0.00 N ATOM 645 CA LEU A 42 6.539 -4.849 4.542 1.00 0.00 C ATOM 646 C LEU A 42 7.126 -6.053 3.812 1.00 0.00 C ATOM 647 O LEU A 42 6.746 -6.351 2.680 1.00 0.00 O ATOM 648 CB LEU A 42 5.183 -5.217 5.147 1.00 0.00 C ATOM 649 CG LEU A 42 4.399 -4.069 5.784 1.00 0.00 C ATOM 650 CD1 LEU A 42 2.908 -4.371 5.776 1.00 0.00 C ATOM 651 CD2 LEU A 42 4.885 -3.813 7.203 1.00 0.00 C ATOM 0 H LEU A 42 6.221 -3.963 2.668 1.00 0.00 H new ATOM 0 HA LEU A 42 7.222 -4.564 5.342 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.567 -5.661 4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.342 -5.986 5.903 1.00 0.00 H new ATOM 0 HG LEU A 42 4.570 -3.168 5.195 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.367 -3.543 6.233 1.00 0.00 H new ATOM 0 HD12 LEU A 42 2.569 -4.503 4.748 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.719 -5.284 6.341 1.00 0.00 H new ATOM 0 HD21 LEU A 42 4.316 -2.993 7.640 1.00 0.00 H new ATOM 0 HD22 LEU A 42 4.745 -4.712 7.803 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.943 -3.550 7.184 1.00 0.00 H new ATOM 663 N SER A 43 8.052 -6.743 4.470 1.00 0.00 N ATOM 664 CA SER A 43 8.693 -7.914 3.884 1.00 0.00 C ATOM 665 C SER A 43 7.659 -8.974 3.518 1.00 0.00 C ATOM 666 O SER A 43 6.471 -8.828 3.811 1.00 0.00 O ATOM 667 CB SER A 43 9.719 -8.501 4.856 1.00 0.00 C ATOM 668 OG SER A 43 10.782 -9.127 4.159 1.00 0.00 O ATOM 0 H SER A 43 8.375 -6.511 5.409 1.00 0.00 H new ATOM 0 HA SER A 43 9.204 -7.600 2.974 1.00 0.00 H new ATOM 0 HB2 SER A 43 10.114 -7.710 5.494 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.233 -9.225 5.510 1.00 0.00 H new ATOM 0 HG SER A 43 11.425 -9.492 4.802 1.00 0.00 H new ATOM 674 N THR A 44 8.117 -10.042 2.874 1.00 0.00 N ATOM 675 CA THR A 44 7.233 -11.127 2.466 1.00 0.00 C ATOM 676 C THR A 44 6.413 -11.640 3.644 1.00 0.00 C ATOM 677 O THR A 44 5.182 -11.619 3.631 1.00 0.00 O ATOM 678 CB THR A 44 8.025 -12.299 1.857 1.00 0.00 C ATOM 679 OG1 THR A 44 8.130 -12.135 0.438 1.00 0.00 O ATOM 680 CG2 THR A 44 7.354 -13.627 2.170 1.00 0.00 C ATOM 0 H THR A 44 9.096 -10.179 2.623 1.00 0.00 H new ATOM 0 HA THR A 44 6.562 -10.720 1.709 1.00 0.00 H new ATOM 0 HB THR A 44 9.022 -12.301 2.297 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.636 -12.883 0.059 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.932 -14.439 1.729 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.302 -13.763 3.250 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.346 -13.632 1.755 1.00 0.00 H new ATOM 688 N PRO A 45 7.109 -12.113 4.688 1.00 0.00 N ATOM 689 CA PRO A 45 6.464 -12.641 5.895 1.00 0.00 C ATOM 690 C PRO A 45 5.788 -11.548 6.715 1.00 0.00 C ATOM 691 O PRO A 45 4.695 -11.744 7.247 1.00 0.00 O ATOM 692 CB PRO A 45 7.627 -13.255 6.679 1.00 0.00 C ATOM 693 CG PRO A 45 8.832 -12.510 6.215 1.00 0.00 C ATOM 694 CD PRO A 45 8.578 -12.170 4.772 1.00 0.00 C ATOM 0 HA PRO A 45 5.671 -13.350 5.657 1.00 0.00 H new ATOM 0 HB2 PRO A 45 7.482 -13.144 7.754 1.00 0.00 H new ATOM 0 HB3 PRO A 45 7.720 -14.322 6.478 1.00 0.00 H new ATOM 0 HG2 PRO A 45 8.985 -11.608 6.807 1.00 0.00 H new ATOM 0 HG3 PRO A 45 9.731 -13.117 6.321 1.00 0.00 H new ATOM 0 HD2 PRO A 45 9.033 -11.219 4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 45 8.990 -12.925 4.103 1.00 0.00 H new ATOM 702 N ASP A 46 6.443 -10.396 6.813 1.00 0.00 N ATOM 703 CA ASP A 46 5.904 -9.271 7.568 1.00 0.00 C ATOM 704 C ASP A 46 4.451 -9.007 7.186 1.00 0.00 C ATOM 705 O ASP A 46 3.557 -9.056 8.031 1.00 0.00 O ATOM 706 CB ASP A 46 6.744 -8.017 7.325 1.00 0.00 C ATOM 707 CG ASP A 46 7.901 -7.897 8.297 1.00 0.00 C ATOM 708 OD1 ASP A 46 8.837 -8.719 8.209 1.00 0.00 O ATOM 709 OD2 ASP A 46 7.870 -6.983 9.147 1.00 0.00 O ATOM 0 H ASP A 46 7.348 -10.217 6.379 1.00 0.00 H new ATOM 0 HA ASP A 46 5.942 -9.524 8.627 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.130 -8.034 6.306 1.00 0.00 H new ATOM 0 HB3 ASP A 46 6.109 -7.136 7.411 1.00 0.00 H new ATOM 714 N ARG A 47 4.222 -8.726 5.907 1.00 0.00 N ATOM 715 CA ARG A 47 2.878 -8.452 5.413 1.00 0.00 C ATOM 716 C ARG A 47 1.915 -9.566 5.811 1.00 0.00 C ATOM 717 O ARG A 47 0.726 -9.326 6.023 1.00 0.00 O ATOM 718 CB ARG A 47 2.893 -8.295 3.891 1.00 0.00 C ATOM 719 CG ARG A 47 1.525 -8.007 3.295 1.00 0.00 C ATOM 720 CD ARG A 47 1.614 -7.732 1.803 1.00 0.00 C ATOM 721 NE ARG A 47 2.586 -6.685 1.496 1.00 0.00 N ATOM 722 CZ ARG A 47 3.884 -6.914 1.327 1.00 0.00 C ATOM 723 NH1 ARG A 47 4.362 -8.146 1.434 1.00 0.00 N ATOM 724 NH2 ARG A 47 4.705 -5.909 1.050 1.00 0.00 N ATOM 0 H ARG A 47 4.950 -8.682 5.194 1.00 0.00 H new ATOM 0 HA ARG A 47 2.535 -7.521 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 47 3.574 -7.486 3.624 1.00 0.00 H new ATOM 0 HB3 ARG A 47 3.290 -9.206 3.444 1.00 0.00 H new ATOM 0 HG2 ARG A 47 0.864 -8.856 3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 47 1.081 -7.148 3.798 1.00 0.00 H new ATOM 0 HD2 ARG A 47 1.891 -8.648 1.281 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.633 -7.437 1.430 1.00 0.00 H new ATOM 0 HE ARG A 47 2.250 -5.726 1.407 1.00 0.00 H new ATOM 0 HH11 ARG A 47 3.733 -8.920 1.646 1.00 0.00 H new ATOM 0 HH12 ARG A 47 5.359 -8.319 1.304 1.00 0.00 H new ATOM 0 HH21 ARG A 47 4.340 -4.960 0.967 1.00 0.00 H new ATOM 0 HH22 ARG A 47 5.701 -6.085 0.920 1.00 0.00 H new ATOM 738 N ILE A 48 2.436 -10.784 5.911 1.00 0.00 N ATOM 739 CA ILE A 48 1.623 -11.935 6.284 1.00 0.00 C ATOM 740 C ILE A 48 1.251 -11.888 7.762 1.00 0.00 C ATOM 741 O ILE A 48 0.090 -12.078 8.127 1.00 0.00 O ATOM 742 CB ILE A 48 2.352 -13.259 5.991 1.00 0.00 C ATOM 743 CG1 ILE A 48 2.711 -13.351 4.506 1.00 0.00 C ATOM 744 CG2 ILE A 48 1.490 -14.442 6.408 1.00 0.00 C ATOM 745 CD1 ILE A 48 3.601 -14.527 4.172 1.00 0.00 C ATOM 0 H ILE A 48 3.418 -10.999 5.739 1.00 0.00 H new ATOM 0 HA ILE A 48 0.716 -11.889 5.681 1.00 0.00 H new ATOM 0 HB ILE A 48 3.275 -13.285 6.571 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.793 -13.423 3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.210 -12.430 4.203 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.019 -15.371 6.195 1.00 0.00 H new ATOM 0 HG22 ILE A 48 1.280 -14.381 7.476 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.552 -14.423 5.853 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.815 -14.530 3.103 1.00 0.00 H new ATOM 0 HD12 ILE A 48 4.535 -14.446 4.729 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.096 -15.454 4.443 1.00 0.00 H new ATOM 757 N ASP A 49 2.242 -11.634 8.608 1.00 0.00 N ATOM 758 CA ASP A 49 2.019 -11.560 10.048 1.00 0.00 C ATOM 759 C ASP A 49 0.940 -10.533 10.378 1.00 0.00 C ATOM 760 O ASP A 49 0.050 -10.792 11.189 1.00 0.00 O ATOM 761 CB ASP A 49 3.320 -11.201 10.769 1.00 0.00 C ATOM 762 CG ASP A 49 3.241 -11.452 12.262 1.00 0.00 C ATOM 763 OD1 ASP A 49 3.356 -12.625 12.673 1.00 0.00 O ATOM 764 OD2 ASP A 49 3.064 -10.475 13.020 1.00 0.00 O ATOM 0 H ASP A 49 3.208 -11.476 8.322 1.00 0.00 H new ATOM 0 HA ASP A 49 1.681 -12.538 10.390 1.00 0.00 H new ATOM 0 HB2 ASP A 49 4.139 -11.785 10.348 1.00 0.00 H new ATOM 0 HB3 ASP A 49 3.553 -10.151 10.592 1.00 0.00 H new ATOM 769 N LEU A 50 1.027 -9.368 9.746 1.00 0.00 N ATOM 770 CA LEU A 50 0.058 -8.301 9.974 1.00 0.00 C ATOM 771 C LEU A 50 -1.336 -8.725 9.522 1.00 0.00 C ATOM 772 O LEU A 50 -2.284 -8.713 10.306 1.00 0.00 O ATOM 773 CB LEU A 50 0.483 -7.032 9.232 1.00 0.00 C ATOM 774 CG LEU A 50 -0.613 -5.992 8.999 1.00 0.00 C ATOM 775 CD1 LEU A 50 -1.010 -5.333 10.310 1.00 0.00 C ATOM 776 CD2 LEU A 50 -0.151 -4.947 7.993 1.00 0.00 C ATOM 0 H LEU A 50 1.758 -9.138 9.072 1.00 0.00 H new ATOM 0 HA LEU A 50 0.026 -8.096 11.044 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.290 -6.561 9.793 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.893 -7.321 8.264 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.488 -6.499 8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.791 -4.596 10.125 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.382 -6.090 11.000 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -0.142 -4.840 10.747 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.944 -4.215 7.839 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.739 -4.445 8.373 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.083 -5.433 7.046 1.00 0.00 H new ATOM 788 N ALA A 51 -1.451 -9.102 8.252 1.00 0.00 N ATOM 789 CA ALA A 51 -2.728 -9.534 7.697 1.00 0.00 C ATOM 790 C ALA A 51 -3.406 -10.552 8.608 1.00 0.00 C ATOM 791 O ALA A 51 -4.629 -10.686 8.601 1.00 0.00 O ATOM 792 CB ALA A 51 -2.528 -10.117 6.306 1.00 0.00 C ATOM 0 H ALA A 51 -0.676 -9.117 7.589 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.378 -8.662 7.623 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.489 -10.436 5.903 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.094 -9.360 5.653 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.857 -10.974 6.364 1.00 0.00 H new ATOM 798 N GLU A 52 -2.602 -11.268 9.388 1.00 0.00 N ATOM 799 CA GLU A 52 -3.126 -12.276 10.303 1.00 0.00 C ATOM 800 C GLU A 52 -3.636 -11.632 11.589 1.00 0.00 C ATOM 801 O GLU A 52 -4.614 -12.089 12.179 1.00 0.00 O ATOM 802 CB GLU A 52 -2.047 -13.310 10.630 1.00 0.00 C ATOM 803 CG GLU A 52 -2.006 -14.477 9.657 1.00 0.00 C ATOM 804 CD GLU A 52 -3.095 -15.498 9.925 1.00 0.00 C ATOM 805 OE1 GLU A 52 -3.566 -15.573 11.079 1.00 0.00 O ATOM 806 OE2 GLU A 52 -3.475 -16.223 8.982 1.00 0.00 O ATOM 0 H GLU A 52 -1.587 -11.169 9.405 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.961 -12.776 9.812 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.074 -12.818 10.635 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -2.216 -13.693 11.636 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.109 -14.101 8.639 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.033 -14.964 9.720 1.00 0.00 H new ATOM 813 N SER A 53 -2.964 -10.567 12.016 1.00 0.00 N ATOM 814 CA SER A 53 -3.345 -9.862 13.235 1.00 0.00 C ATOM 815 C SER A 53 -4.711 -9.202 13.076 1.00 0.00 C ATOM 816 O SER A 53 -5.593 -9.362 13.921 1.00 0.00 O ATOM 817 CB SER A 53 -2.295 -8.807 13.588 1.00 0.00 C ATOM 818 OG SER A 53 -1.039 -9.407 13.853 1.00 0.00 O ATOM 0 H SER A 53 -2.154 -10.174 11.537 1.00 0.00 H new ATOM 0 HA SER A 53 -3.404 -10.591 14.043 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.197 -8.098 12.766 1.00 0.00 H new ATOM 0 HB3 SER A 53 -2.622 -8.241 14.460 1.00 0.00 H new ATOM 0 HG SER A 53 -0.695 -9.821 13.034 1.00 0.00 H new ATOM 824 N LEU A 54 -4.880 -8.461 11.987 1.00 0.00 N ATOM 825 CA LEU A 54 -6.139 -7.775 11.715 1.00 0.00 C ATOM 826 C LEU A 54 -7.136 -8.714 11.043 1.00 0.00 C ATOM 827 O LEU A 54 -8.347 -8.564 11.198 1.00 0.00 O ATOM 828 CB LEU A 54 -5.896 -6.553 10.828 1.00 0.00 C ATOM 829 CG LEU A 54 -4.867 -5.545 11.342 1.00 0.00 C ATOM 830 CD1 LEU A 54 -4.496 -4.556 10.248 1.00 0.00 C ATOM 831 CD2 LEU A 54 -5.401 -4.814 12.565 1.00 0.00 C ATOM 0 H LEU A 54 -4.161 -8.319 11.277 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.559 -7.448 12.666 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.576 -6.900 9.846 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.845 -6.035 10.690 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.968 -6.089 11.632 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.763 -3.847 10.632 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.071 -5.094 9.400 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.388 -4.018 9.926 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.656 -4.101 12.917 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -6.315 -4.282 12.301 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.615 -5.534 13.355 1.00 0.00 H new ATOM 843 N GLY A 55 -6.617 -9.685 10.298 1.00 0.00 N ATOM 844 CA GLY A 55 -7.475 -10.636 9.616 1.00 0.00 C ATOM 845 C GLY A 55 -7.652 -10.308 8.146 1.00 0.00 C ATOM 846 O GLY A 55 -8.510 -10.880 7.473 1.00 0.00 O ATOM 0 H GLY A 55 -5.618 -9.830 10.155 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.053 -11.636 9.714 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -8.451 -10.653 10.101 1.00 0.00 H new ATOM 850 N LEU A 56 -6.839 -9.383 7.647 1.00 0.00 N ATOM 851 CA LEU A 56 -6.910 -8.978 6.247 1.00 0.00 C ATOM 852 C LEU A 56 -6.170 -9.970 5.355 1.00 0.00 C ATOM 853 O LEU A 56 -5.643 -10.975 5.831 1.00 0.00 O ATOM 854 CB LEU A 56 -6.320 -7.578 6.071 1.00 0.00 C ATOM 855 CG LEU A 56 -6.810 -6.514 7.055 1.00 0.00 C ATOM 856 CD1 LEU A 56 -5.886 -5.306 7.039 1.00 0.00 C ATOM 857 CD2 LEU A 56 -8.237 -6.102 6.727 1.00 0.00 C ATOM 0 H LEU A 56 -6.124 -8.900 8.190 1.00 0.00 H new ATOM 0 HA LEU A 56 -7.959 -8.964 5.951 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -5.236 -7.649 6.154 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -6.540 -7.237 5.059 1.00 0.00 H new ATOM 0 HG LEU A 56 -6.798 -6.940 8.058 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.250 -4.560 7.745 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -4.880 -5.614 7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -5.865 -4.878 6.037 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -8.569 -5.345 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.275 -5.694 5.717 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.891 -6.972 6.792 1.00 0.00 H new ATOM 869 N SER A 57 -6.132 -9.678 4.059 1.00 0.00 N ATOM 870 CA SER A 57 -5.458 -10.544 3.099 1.00 0.00 C ATOM 871 C SER A 57 -4.183 -9.889 2.578 1.00 0.00 C ATOM 872 O SER A 57 -4.168 -8.699 2.264 1.00 0.00 O ATOM 873 CB SER A 57 -6.391 -10.871 1.932 1.00 0.00 C ATOM 874 OG SER A 57 -5.946 -12.019 1.229 1.00 0.00 O ATOM 0 H SER A 57 -6.560 -8.848 3.649 1.00 0.00 H new ATOM 0 HA SER A 57 -5.188 -11.469 3.609 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.401 -11.039 2.306 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.440 -10.021 1.252 1.00 0.00 H new ATOM 0 HG SER A 57 -6.560 -12.208 0.489 1.00 0.00 H new ATOM 880 N GLN A 58 -3.115 -10.675 2.489 1.00 0.00 N ATOM 881 CA GLN A 58 -1.834 -10.172 2.007 1.00 0.00 C ATOM 882 C GLN A 58 -2.037 -9.113 0.928 1.00 0.00 C ATOM 883 O GLN A 58 -1.404 -8.057 0.953 1.00 0.00 O ATOM 884 CB GLN A 58 -0.985 -11.320 1.459 1.00 0.00 C ATOM 885 CG GLN A 58 -0.662 -12.386 2.493 1.00 0.00 C ATOM 886 CD GLN A 58 0.197 -13.502 1.932 1.00 0.00 C ATOM 887 OE1 GLN A 58 1.456 -13.194 1.647 1.00 0.00 O flip ATOM 888 NE2 GLN A 58 -0.267 -14.630 1.758 1.00 0.00 N flip ATOM 0 H GLN A 58 -3.111 -11.663 2.744 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.312 -9.713 2.847 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.511 -11.783 0.624 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -0.053 -10.915 1.064 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -0.147 -11.925 3.336 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.591 -12.806 2.878 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -1.241 -14.822 1.991 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.323 -15.372 1.381 1.00 0.00 H new ATOM 897 N LEU A 59 -2.922 -9.403 -0.019 1.00 0.00 N ATOM 898 CA LEU A 59 -3.208 -8.476 -1.109 1.00 0.00 C ATOM 899 C LEU A 59 -3.606 -7.106 -0.568 1.00 0.00 C ATOM 900 O LEU A 59 -3.120 -6.078 -1.039 1.00 0.00 O ATOM 901 CB LEU A 59 -4.325 -9.030 -1.996 1.00 0.00 C ATOM 902 CG LEU A 59 -4.818 -8.106 -3.110 1.00 0.00 C ATOM 903 CD1 LEU A 59 -3.727 -7.892 -4.148 1.00 0.00 C ATOM 904 CD2 LEU A 59 -6.071 -8.675 -3.759 1.00 0.00 C ATOM 0 H LEU A 59 -3.454 -10.272 -0.054 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.302 -8.363 -1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -3.976 -9.958 -2.449 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.173 -9.285 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.067 -7.140 -2.671 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.096 -7.232 -4.933 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.857 -7.440 -3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.446 -8.851 -4.583 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.408 -8.004 -4.550 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.848 -9.654 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.856 -8.775 -3.009 1.00 0.00 H new ATOM 916 N GLN A 60 -4.489 -7.102 0.426 1.00 0.00 N ATOM 917 CA GLN A 60 -4.950 -5.858 1.031 1.00 0.00 C ATOM 918 C GLN A 60 -3.780 -4.914 1.293 1.00 0.00 C ATOM 919 O GLN A 60 -3.673 -3.856 0.673 1.00 0.00 O ATOM 920 CB GLN A 60 -5.690 -6.146 2.339 1.00 0.00 C ATOM 921 CG GLN A 60 -6.966 -6.951 2.150 1.00 0.00 C ATOM 922 CD GLN A 60 -8.045 -6.173 1.423 1.00 0.00 C ATOM 923 OE1 GLN A 60 -7.815 -5.634 0.340 1.00 0.00 O ATOM 924 NE2 GLN A 60 -9.231 -6.110 2.017 1.00 0.00 N ATOM 0 H GLN A 60 -4.899 -7.945 0.829 1.00 0.00 H new ATOM 0 HA GLN A 60 -5.634 -5.375 0.333 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.025 -6.687 3.012 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.935 -5.201 2.824 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -6.739 -7.859 1.591 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -7.342 -7.263 3.124 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -9.377 -6.572 2.915 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -9.996 -5.600 1.576 1.00 0.00 H new ATOM 933 N VAL A 61 -2.906 -5.304 2.216 1.00 0.00 N ATOM 934 CA VAL A 61 -1.744 -4.493 2.559 1.00 0.00 C ATOM 935 C VAL A 61 -0.999 -4.043 1.308 1.00 0.00 C ATOM 936 O VAL A 61 -0.700 -2.860 1.141 1.00 0.00 O ATOM 937 CB VAL A 61 -0.772 -5.264 3.472 1.00 0.00 C ATOM 938 CG1 VAL A 61 0.430 -4.400 3.822 1.00 0.00 C ATOM 939 CG2 VAL A 61 -1.485 -5.735 4.731 1.00 0.00 C ATOM 0 H VAL A 61 -2.981 -6.176 2.739 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.115 -3.618 3.092 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.414 -6.142 2.934 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.106 -4.961 4.468 1.00 0.00 H new ATOM 0 HG12 VAL A 61 0.953 -4.117 2.908 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.094 -3.502 4.341 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.784 -6.278 5.365 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.872 -4.873 5.274 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.310 -6.392 4.457 1.00 0.00 H new ATOM 949 N LYS A 62 -0.702 -4.993 0.428 1.00 0.00 N ATOM 950 CA LYS A 62 0.007 -4.696 -0.811 1.00 0.00 C ATOM 951 C LYS A 62 -0.657 -3.540 -1.553 1.00 0.00 C ATOM 952 O LYS A 62 -0.053 -2.484 -1.746 1.00 0.00 O ATOM 953 CB LYS A 62 0.049 -5.935 -1.708 1.00 0.00 C ATOM 954 CG LYS A 62 0.917 -5.762 -2.943 1.00 0.00 C ATOM 955 CD LYS A 62 1.235 -7.098 -3.593 1.00 0.00 C ATOM 956 CE LYS A 62 1.561 -6.936 -5.069 1.00 0.00 C ATOM 957 NZ LYS A 62 2.949 -6.438 -5.279 1.00 0.00 N ATOM 0 H LYS A 62 -0.942 -5.977 0.550 1.00 0.00 H new ATOM 0 HA LYS A 62 1.026 -4.404 -0.557 1.00 0.00 H new ATOM 0 HB2 LYS A 62 0.420 -6.780 -1.129 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -0.966 -6.183 -2.019 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.406 -5.120 -3.661 1.00 0.00 H new ATOM 0 HG3 LYS A 62 1.845 -5.260 -2.669 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.079 -7.561 -3.082 1.00 0.00 H new ATOM 0 HD3 LYS A 62 0.385 -7.771 -3.479 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.438 -7.893 -5.575 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.854 -6.242 -5.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.133 -6.341 -6.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 3.059 -5.513 -4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.626 -7.112 -4.868 1.00 0.00 H new ATOM 971 N THR A 63 -1.904 -3.746 -1.966 1.00 0.00 N ATOM 972 CA THR A 63 -2.649 -2.721 -2.687 1.00 0.00 C ATOM 973 C THR A 63 -2.866 -1.487 -1.819 1.00 0.00 C ATOM 974 O THR A 63 -2.380 -0.401 -2.136 1.00 0.00 O ATOM 975 CB THR A 63 -4.017 -3.249 -3.159 1.00 0.00 C ATOM 976 OG1 THR A 63 -3.836 -4.397 -3.996 1.00 0.00 O ATOM 977 CG2 THR A 63 -4.778 -2.175 -3.921 1.00 0.00 C ATOM 0 H THR A 63 -2.419 -4.613 -1.814 1.00 0.00 H new ATOM 0 HA THR A 63 -2.052 -2.450 -3.558 1.00 0.00 H new ATOM 0 HB THR A 63 -4.597 -3.528 -2.280 1.00 0.00 H new ATOM 0 HG1 THR A 63 -4.710 -4.728 -4.291 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.741 -2.571 -4.244 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.939 -1.314 -3.272 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.200 -1.869 -4.793 1.00 0.00 H new ATOM 985 N TRP A 64 -3.597 -1.660 -0.724 1.00 0.00 N ATOM 986 CA TRP A 64 -3.877 -0.559 0.190 1.00 0.00 C ATOM 987 C TRP A 64 -2.666 0.357 0.326 1.00 0.00 C ATOM 988 O TRP A 64 -2.795 1.581 0.298 1.00 0.00 O ATOM 989 CB TRP A 64 -4.281 -1.099 1.563 1.00 0.00 C ATOM 990 CG TRP A 64 -4.838 -0.047 2.474 1.00 0.00 C ATOM 991 CD1 TRP A 64 -6.125 0.406 2.514 1.00 0.00 C ATOM 992 CD2 TRP A 64 -4.122 0.684 3.476 1.00 0.00 C ATOM 993 NE1 TRP A 64 -6.254 1.375 3.480 1.00 0.00 N ATOM 994 CE2 TRP A 64 -5.040 1.563 4.085 1.00 0.00 C ATOM 995 CE3 TRP A 64 -2.797 0.681 3.919 1.00 0.00 C ATOM 996 CZ2 TRP A 64 -4.671 2.429 5.111 1.00 0.00 C ATOM 997 CZ3 TRP A 64 -2.433 1.541 4.938 1.00 0.00 C ATOM 998 CH2 TRP A 64 -3.368 2.404 5.526 1.00 0.00 C ATOM 0 H TRP A 64 -4.007 -2.552 -0.447 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.703 0.021 -0.222 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -5.023 -1.886 1.432 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -3.412 -1.556 2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -6.925 0.054 1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -7.114 1.873 3.709 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.070 0.018 3.473 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -5.389 3.097 5.563 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -1.411 1.548 5.287 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -3.053 3.062 6.322 1.00 0.00 H new ATOM 1009 N TYR A 65 -1.490 -0.243 0.475 1.00 0.00 N ATOM 1010 CA TYR A 65 -0.256 0.519 0.618 1.00 0.00 C ATOM 1011 C TYR A 65 0.016 1.356 -0.628 1.00 0.00 C ATOM 1012 O TYR A 65 -0.001 2.585 -0.579 1.00 0.00 O ATOM 1013 CB TYR A 65 0.922 -0.421 0.882 1.00 0.00 C ATOM 1014 CG TYR A 65 1.168 -0.687 2.350 1.00 0.00 C ATOM 1015 CD1 TYR A 65 0.154 -1.171 3.167 1.00 0.00 C ATOM 1016 CD2 TYR A 65 2.414 -0.456 2.918 1.00 0.00 C ATOM 1017 CE1 TYR A 65 0.374 -1.415 4.509 1.00 0.00 C ATOM 1018 CE2 TYR A 65 2.643 -0.699 4.259 1.00 0.00 C ATOM 1019 CZ TYR A 65 1.620 -1.178 5.050 1.00 0.00 C ATOM 1020 OH TYR A 65 1.844 -1.421 6.386 1.00 0.00 O ATOM 0 H TYR A 65 -1.366 -1.255 0.500 1.00 0.00 H new ATOM 0 HA TYR A 65 -0.372 1.192 1.467 1.00 0.00 H new ATOM 0 HB2 TYR A 65 0.740 -1.369 0.375 1.00 0.00 H new ATOM 0 HB3 TYR A 65 1.823 0.007 0.443 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.823 -1.360 2.746 1.00 0.00 H new ATOM 0 HD2 TYR A 65 3.217 -0.080 2.302 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -0.426 -1.789 5.131 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.618 -0.515 4.685 1.00 0.00 H new ATOM 0 HH TYR A 65 2.804 -1.548 6.539 1.00 0.00 H new ATOM 1030 N GLN A 66 0.266 0.679 -1.745 1.00 0.00 N ATOM 1031 CA GLN A 66 0.541 1.359 -3.005 1.00 0.00 C ATOM 1032 C GLN A 66 -0.337 2.596 -3.158 1.00 0.00 C ATOM 1033 O GLN A 66 0.161 3.697 -3.389 1.00 0.00 O ATOM 1034 CB GLN A 66 0.313 0.408 -4.182 1.00 0.00 C ATOM 1035 CG GLN A 66 1.523 -0.451 -4.512 1.00 0.00 C ATOM 1036 CD GLN A 66 1.185 -1.604 -5.436 1.00 0.00 C ATOM 1037 OE1 GLN A 66 0.057 -1.718 -5.918 1.00 0.00 O ATOM 1038 NE2 GLN A 66 2.162 -2.467 -5.688 1.00 0.00 N ATOM 0 H GLN A 66 0.284 -0.339 -1.802 1.00 0.00 H new ATOM 0 HA GLN A 66 1.584 1.675 -2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.533 -0.241 -3.955 1.00 0.00 H new ATOM 0 HB3 GLN A 66 0.040 0.991 -5.062 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.289 0.170 -4.977 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.948 -0.843 -3.588 1.00 0.00 H new ATOM 0 HE21 GLN A 66 3.081 -2.334 -5.267 1.00 0.00 H new ATOM 0 HE22 GLN A 66 1.993 -3.263 -6.303 1.00 0.00 H new ATOM 1047 N ASN A 67 -1.646 2.407 -3.029 1.00 0.00 N ATOM 1048 CA ASN A 67 -2.593 3.509 -3.154 1.00 0.00 C ATOM 1049 C ASN A 67 -2.333 4.574 -2.094 1.00 0.00 C ATOM 1050 O ASN A 67 -2.280 5.766 -2.397 1.00 0.00 O ATOM 1051 CB ASN A 67 -4.028 2.991 -3.031 1.00 0.00 C ATOM 1052 CG ASN A 67 -4.463 2.198 -4.248 1.00 0.00 C ATOM 1053 OD1 ASN A 67 -4.182 2.579 -5.385 1.00 0.00 O ATOM 1054 ND2 ASN A 67 -5.153 1.088 -4.015 1.00 0.00 N ATOM 0 H ASN A 67 -2.075 1.502 -2.838 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.459 3.961 -4.137 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -4.110 2.363 -2.144 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -4.705 3.834 -2.889 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.473 0.513 -4.795 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.363 0.810 -3.056 1.00 0.00 H new ATOM 1061 N ARG A 68 -2.169 4.136 -0.850 1.00 0.00 N ATOM 1062 CA ARG A 68 -1.914 5.052 0.255 1.00 0.00 C ATOM 1063 C ARG A 68 -0.800 6.033 -0.098 1.00 0.00 C ATOM 1064 O ARG A 68 -0.931 7.239 0.113 1.00 0.00 O ATOM 1065 CB ARG A 68 -1.540 4.271 1.516 1.00 0.00 C ATOM 1066 CG ARG A 68 -2.741 3.742 2.283 1.00 0.00 C ATOM 1067 CD ARG A 68 -3.489 4.862 2.989 1.00 0.00 C ATOM 1068 NE ARG A 68 -4.501 5.470 2.131 1.00 0.00 N ATOM 1069 CZ ARG A 68 -5.333 6.423 2.536 1.00 0.00 C ATOM 1070 NH1 ARG A 68 -5.272 6.875 3.781 1.00 0.00 N ATOM 1071 NH2 ARG A 68 -6.227 6.927 1.696 1.00 0.00 N ATOM 0 H ARG A 68 -2.208 3.153 -0.582 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.826 5.618 0.443 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.899 3.434 1.238 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.955 4.916 2.172 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -3.415 3.229 1.597 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -2.411 3.006 3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -3.964 4.470 3.888 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.780 5.625 3.310 1.00 0.00 H new ATOM 0 HE ARG A 68 -4.573 5.145 1.167 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.585 6.491 4.430 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -5.912 7.607 4.090 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -6.277 6.583 0.737 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.865 7.659 2.009 1.00 0.00 H new