USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 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 20 THR OG1 : rot 30:sc= 0.173 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.71 X(o=-1.7,f=-1.9) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.193 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.0377 X(o=-0.038,f=-0.025) USER MOD Single : A 58 GLN : amide:sc= -0.61 K(o=-0.61,f=0) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=0.81) USER MOD Single : A 63 HIS : no HD1:sc= -0.623 K(o=-0.62,f=-0.052) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -142:sc= 0 (180deg=-0.658) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.000 -6.768 1.151 1.00 0.00 N ATOM 272 CA THR A 20 -3.889 -5.691 0.738 1.00 0.00 C ATOM 273 C THR A 20 -3.667 -5.325 -0.725 1.00 0.00 C ATOM 274 O THR A 20 -2.802 -4.511 -1.048 1.00 0.00 O ATOM 275 CB THR A 20 -3.689 -4.433 1.605 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.747 -4.782 2.993 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.750 -3.388 1.295 1.00 0.00 C ATOM 0 HA THR A 20 -4.908 -6.056 0.869 1.00 0.00 H new ATOM 0 HB THR A 20 -2.710 -4.012 1.376 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.427 -5.700 3.113 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.588 -2.509 1.919 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.685 -3.104 0.245 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.738 -3.801 1.499 1.00 0.00 H new ATOM 285 N VAL A 21 -4.454 -5.932 -1.608 1.00 0.00 N ATOM 286 CA VAL A 21 -4.345 -5.669 -3.038 1.00 0.00 C ATOM 287 C VAL A 21 -5.375 -4.639 -3.488 1.00 0.00 C ATOM 288 O VAL A 21 -6.577 -4.826 -3.304 1.00 0.00 O ATOM 289 CB VAL A 21 -4.530 -6.957 -3.862 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.520 -6.645 -5.350 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.450 -7.971 -3.514 1.00 0.00 C ATOM 0 H VAL A 21 -5.174 -6.610 -1.358 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.343 -5.276 -3.211 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.498 -7.391 -3.613 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.652 -7.567 -5.916 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.333 -5.957 -5.583 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.568 -6.187 -5.619 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.596 -8.875 -4.105 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.470 -7.548 -3.733 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.510 -8.217 -2.454 1.00 0.00 H new ATOM 301 N VAL A 22 -4.895 -3.549 -4.078 1.00 0.00 N ATOM 302 CA VAL A 22 -5.773 -2.488 -4.557 1.00 0.00 C ATOM 303 C VAL A 22 -5.788 -2.432 -6.080 1.00 0.00 C ATOM 304 O VAL A 22 -4.917 -2.999 -6.741 1.00 0.00 O ATOM 305 CB VAL A 22 -5.346 -1.115 -4.007 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.881 -0.914 -2.597 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.832 -0.977 -4.036 1.00 0.00 C ATOM 0 H VAL A 22 -3.902 -3.377 -4.236 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.775 -2.720 -4.196 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.771 -0.340 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.569 0.062 -2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.970 -0.966 -2.610 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.488 -1.694 -1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.548 -0.000 -3.644 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.384 -1.759 -3.423 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.478 -1.073 -5.062 1.00 0.00 H new ATOM 317 N ILE A 23 -6.781 -1.742 -6.632 1.00 0.00 N ATOM 318 CA ILE A 23 -6.907 -1.610 -8.078 1.00 0.00 C ATOM 319 C ILE A 23 -7.056 -0.148 -8.485 1.00 0.00 C ATOM 320 O ILE A 23 -7.618 0.659 -7.745 1.00 0.00 O ATOM 321 CB ILE A 23 -8.113 -2.406 -8.612 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.156 -3.796 -7.976 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.046 -2.513 -10.129 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.461 -4.527 -8.209 1.00 0.00 C ATOM 0 H ILE A 23 -7.509 -1.266 -6.100 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.993 -2.014 -8.514 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.027 -1.877 -8.344 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.337 -4.395 -8.375 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.988 -3.701 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.904 -3.078 -10.492 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.058 -1.514 -10.565 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.127 -3.024 -10.418 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.421 -5.505 -7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.282 -3.949 -7.785 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.621 -4.654 -9.280 1.00 0.00 H new ATOM 336 N ALA A 24 -6.551 0.185 -9.668 1.00 0.00 N ATOM 337 CA ALA A 24 -6.631 1.549 -10.176 1.00 0.00 C ATOM 338 C ALA A 24 -7.857 1.733 -11.065 1.00 0.00 C ATOM 339 O ALA A 24 -8.096 0.945 -11.981 1.00 0.00 O ATOM 340 CB ALA A 24 -5.365 1.903 -10.941 1.00 0.00 C ATOM 0 H ALA A 24 -6.082 -0.471 -10.293 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.728 2.222 -9.324 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.439 2.924 -11.314 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.504 1.821 -10.278 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.243 1.218 -11.780 1.00 0.00 H new ATOM 346 N LEU A 25 -8.631 2.777 -10.789 1.00 0.00 N ATOM 347 CA LEU A 25 -9.833 3.064 -11.564 1.00 0.00 C ATOM 348 C LEU A 25 -9.479 3.709 -12.900 1.00 0.00 C ATOM 349 O LEU A 25 -10.095 3.416 -13.925 1.00 0.00 O ATOM 350 CB LEU A 25 -10.766 3.981 -10.772 1.00 0.00 C ATOM 351 CG LEU A 25 -11.218 3.463 -9.407 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.513 4.622 -8.467 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.440 2.569 -9.553 1.00 0.00 C ATOM 0 H LEU A 25 -8.448 3.439 -10.035 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.342 2.121 -11.762 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.265 4.938 -10.627 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.652 4.174 -11.377 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.409 2.871 -8.979 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.833 4.234 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.613 5.223 -8.337 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.304 5.241 -8.890 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.747 2.210 -8.571 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.254 3.137 -10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.195 1.719 -10.190 1.00 0.00 H new ATOM 365 N TYR A 26 -8.482 4.587 -12.881 1.00 0.00 N ATOM 366 CA TYR A 26 -8.046 5.275 -14.090 1.00 0.00 C ATOM 367 C TYR A 26 -6.540 5.128 -14.287 1.00 0.00 C ATOM 368 O TYR A 26 -5.803 4.852 -13.341 1.00 0.00 O ATOM 369 CB TYR A 26 -8.421 6.756 -14.023 1.00 0.00 C ATOM 370 CG TYR A 26 -9.764 7.013 -13.380 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.910 6.994 -11.998 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.888 7.274 -14.154 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.137 7.227 -11.406 1.00 0.00 C ATOM 374 CE2 TYR A 26 -12.118 7.510 -13.570 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.237 7.485 -12.196 1.00 0.00 C ATOM 376 OH TYR A 26 -13.460 7.719 -11.610 1.00 0.00 O ATOM 0 H TYR A 26 -7.961 4.839 -12.041 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.552 4.818 -14.940 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.653 7.292 -13.466 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.427 7.166 -15.033 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.050 6.794 -11.376 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.799 7.293 -15.230 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.234 7.207 -10.331 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.982 7.713 -14.186 1.00 0.00 H new ATOM 0 HH TYR A 26 -14.130 7.885 -12.306 1.00 0.00 H new ATOM 386 N ASP A 27 -6.092 5.314 -15.524 1.00 0.00 N ATOM 387 CA ASP A 27 -4.674 5.205 -15.847 1.00 0.00 C ATOM 388 C ASP A 27 -3.927 6.476 -15.456 1.00 0.00 C ATOM 389 O ASP A 27 -4.023 7.498 -16.136 1.00 0.00 O ATOM 390 CB ASP A 27 -4.489 4.928 -17.340 1.00 0.00 C ATOM 391 CG ASP A 27 -5.142 5.985 -18.209 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.267 6.413 -17.878 1.00 0.00 O ATOM 393 OD2 ASP A 27 -4.528 6.383 -19.221 1.00 0.00 O ATOM 0 H ASP A 27 -6.690 5.541 -16.319 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.260 4.373 -15.277 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.424 4.880 -17.569 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.911 3.952 -17.581 1.00 0.00 H new ATOM 398 N TYR A 28 -3.185 6.406 -14.357 1.00 0.00 N ATOM 399 CA TYR A 28 -2.425 7.553 -13.874 1.00 0.00 C ATOM 400 C TYR A 28 -1.068 7.638 -14.566 1.00 0.00 C ATOM 401 O TYR A 28 -0.579 6.653 -15.118 1.00 0.00 O ATOM 402 CB TYR A 28 -2.232 7.462 -12.359 1.00 0.00 C ATOM 403 CG TYR A 28 -1.598 8.694 -11.754 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.175 9.947 -11.916 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.421 8.604 -11.021 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.598 11.075 -11.366 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.163 9.726 -10.466 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.429 10.960 -10.641 1.00 0.00 C ATOM 409 OH TYR A 28 0.148 12.081 -10.090 1.00 0.00 O ATOM 0 H TYR A 28 -3.093 5.567 -13.784 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.990 8.455 -14.109 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.200 7.293 -11.887 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.611 6.595 -12.132 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.090 10.041 -12.482 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.045 7.640 -10.883 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.059 12.042 -11.502 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.078 9.638 -9.898 1.00 0.00 H new ATOM 0 HH TYR A 28 0.964 11.827 -9.611 1.00 0.00 H new ATOM 507 N GLU A 35 7.180 9.168 -8.115 1.00 0.00 N ATOM 508 CA GLU A 35 5.783 8.806 -8.322 1.00 0.00 C ATOM 509 C GLU A 35 5.661 7.668 -9.331 1.00 0.00 C ATOM 510 O GLU A 35 6.502 7.516 -10.218 1.00 0.00 O ATOM 511 CB GLU A 35 4.985 10.018 -8.804 1.00 0.00 C ATOM 512 CG GLU A 35 4.391 10.844 -7.676 1.00 0.00 C ATOM 513 CD GLU A 35 5.344 11.908 -7.166 1.00 0.00 C ATOM 514 OE1 GLU A 35 5.682 12.824 -7.944 1.00 0.00 O ATOM 515 OE2 GLU A 35 5.753 11.823 -5.989 1.00 0.00 O ATOM 0 HA GLU A 35 5.376 8.469 -7.369 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.634 10.654 -9.406 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.181 9.677 -9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.474 11.320 -8.023 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.116 10.184 -6.853 1.00 0.00 H new ATOM 522 N LEU A 36 4.608 6.870 -9.189 1.00 0.00 N ATOM 523 CA LEU A 36 4.374 5.745 -10.088 1.00 0.00 C ATOM 524 C LEU A 36 3.126 5.974 -10.934 1.00 0.00 C ATOM 525 O LEU A 36 2.157 6.578 -10.477 1.00 0.00 O ATOM 526 CB LEU A 36 4.230 4.449 -9.288 1.00 0.00 C ATOM 527 CG LEU A 36 3.854 3.203 -10.090 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.102 2.491 -10.587 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.002 2.264 -9.248 1.00 0.00 C ATOM 0 H LEU A 36 3.903 6.981 -8.460 1.00 0.00 H new ATOM 0 HA LEU A 36 5.232 5.660 -10.755 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.172 4.256 -8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.474 4.603 -8.518 1.00 0.00 H new ATOM 0 HG LEU A 36 3.269 3.515 -10.956 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.814 1.607 -11.156 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.674 3.163 -11.226 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.714 2.192 -9.736 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.744 1.383 -9.835 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.561 1.960 -8.363 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.090 2.776 -8.942 1.00 0.00 H new ATOM 541 N ALA A 37 3.158 5.486 -12.170 1.00 0.00 N ATOM 542 CA ALA A 37 2.028 5.633 -13.079 1.00 0.00 C ATOM 543 C ALA A 37 1.125 4.406 -13.036 1.00 0.00 C ATOM 544 O ALA A 37 1.422 3.381 -13.652 1.00 0.00 O ATOM 545 CB ALA A 37 2.521 5.880 -14.497 1.00 0.00 C ATOM 0 H ALA A 37 3.954 4.985 -12.565 1.00 0.00 H new ATOM 0 HA ALA A 37 1.442 6.493 -12.755 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.667 5.988 -15.166 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.118 6.792 -14.521 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.132 5.038 -14.822 1.00 0.00 H new ATOM 551 N LEU A 38 0.021 4.514 -12.305 1.00 0.00 N ATOM 552 CA LEU A 38 -0.927 3.412 -12.182 1.00 0.00 C ATOM 553 C LEU A 38 -1.522 3.051 -13.539 1.00 0.00 C ATOM 554 O LEU A 38 -1.539 3.869 -14.458 1.00 0.00 O ATOM 555 CB LEU A 38 -2.044 3.781 -11.204 1.00 0.00 C ATOM 556 CG LEU A 38 -1.654 3.827 -9.726 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.789 4.400 -8.892 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.274 2.440 -9.231 1.00 0.00 C ATOM 0 H LEU A 38 -0.240 5.354 -11.788 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.390 2.544 -11.800 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.438 4.757 -11.486 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.856 3.063 -11.323 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.787 4.479 -9.619 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.493 4.425 -7.843 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.014 5.412 -9.230 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.675 3.775 -9.004 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.999 2.492 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.122 1.766 -9.352 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.428 2.067 -9.808 1.00 0.00 H new ATOM 570 N ARG A 39 -2.011 1.821 -13.656 1.00 0.00 N ATOM 571 CA ARG A 39 -2.609 1.351 -14.900 1.00 0.00 C ATOM 572 C ARG A 39 -4.087 1.029 -14.706 1.00 0.00 C ATOM 573 O ARG A 39 -4.468 0.378 -13.733 1.00 0.00 O ATOM 574 CB ARG A 39 -1.869 0.114 -15.411 1.00 0.00 C ATOM 575 CG ARG A 39 -2.329 -0.347 -16.784 1.00 0.00 C ATOM 576 CD ARG A 39 -1.711 0.493 -17.891 1.00 0.00 C ATOM 577 NE ARG A 39 -2.017 -0.037 -19.217 1.00 0.00 N ATOM 578 CZ ARG A 39 -1.390 0.345 -20.324 1.00 0.00 C ATOM 579 NH1 ARG A 39 -0.428 1.256 -20.264 1.00 0.00 N ATOM 580 NH2 ARG A 39 -1.725 -0.183 -21.494 1.00 0.00 N ATOM 0 H ARG A 39 -2.005 1.132 -12.904 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.523 2.148 -15.638 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.801 0.330 -15.448 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.005 -0.700 -14.699 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.059 -1.393 -16.927 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.416 -0.287 -16.844 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.078 1.517 -17.817 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.630 0.531 -17.757 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.753 -0.739 -19.298 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.168 1.665 -19.366 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.052 1.548 -21.115 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.465 -0.883 -21.544 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.243 0.111 -22.343 1.00 0.00 H new ATOM 594 N ARG A 40 -4.916 1.490 -15.637 1.00 0.00 N ATOM 595 CA ARG A 40 -6.353 1.252 -15.567 1.00 0.00 C ATOM 596 C ARG A 40 -6.657 -0.243 -15.575 1.00 0.00 C ATOM 597 O ARG A 40 -6.151 -0.985 -16.416 1.00 0.00 O ATOM 598 CB ARG A 40 -7.062 1.934 -16.739 1.00 0.00 C ATOM 599 CG ARG A 40 -8.576 1.809 -16.691 1.00 0.00 C ATOM 600 CD ARG A 40 -9.252 2.937 -17.453 1.00 0.00 C ATOM 601 NE ARG A 40 -9.114 2.782 -18.899 1.00 0.00 N ATOM 602 CZ ARG A 40 -9.715 3.569 -19.783 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.491 4.562 -19.372 1.00 0.00 N ATOM 604 NH2 ARG A 40 -9.539 3.364 -21.083 1.00 0.00 N ATOM 0 H ARG A 40 -4.617 2.031 -16.449 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.721 1.675 -14.632 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.793 2.990 -16.750 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.700 1.503 -17.672 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.877 0.851 -17.115 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.910 1.818 -15.654 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.310 2.968 -17.191 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.820 3.890 -17.148 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.523 2.028 -19.249 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.628 4.723 -18.374 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.951 5.165 -20.054 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.942 2.601 -21.403 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.001 3.969 -21.762 1.00 0.00 H new ATOM 618 N ASN A 41 -7.487 -0.678 -14.633 1.00 0.00 N ATOM 619 CA ASN A 41 -7.858 -2.084 -14.530 1.00 0.00 C ATOM 620 C ASN A 41 -6.639 -2.948 -14.221 1.00 0.00 C ATOM 621 O ASN A 41 -6.356 -3.914 -14.927 1.00 0.00 O ATOM 622 CB ASN A 41 -8.514 -2.556 -15.830 1.00 0.00 C ATOM 623 CG ASN A 41 -9.467 -1.525 -16.404 1.00 0.00 C ATOM 624 OD1 ASN A 41 -9.544 -1.344 -17.619 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.197 -0.842 -15.530 1.00 0.00 N ATOM 0 H ASN A 41 -7.916 -0.076 -13.930 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.571 -2.186 -13.712 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.740 -2.780 -16.564 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.055 -3.484 -15.645 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.854 -0.134 -15.857 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.100 -1.025 -14.531 1.00 0.00 H new ATOM 632 N GLU A 42 -5.923 -2.591 -13.159 1.00 0.00 N ATOM 633 CA GLU A 42 -4.734 -3.333 -12.756 1.00 0.00 C ATOM 634 C GLU A 42 -4.576 -3.325 -11.238 1.00 0.00 C ATOM 635 O GLU A 42 -4.610 -2.270 -10.607 1.00 0.00 O ATOM 636 CB GLU A 42 -3.487 -2.738 -13.413 1.00 0.00 C ATOM 637 CG GLU A 42 -3.249 -3.235 -14.829 1.00 0.00 C ATOM 638 CD GLU A 42 -2.538 -4.574 -14.866 1.00 0.00 C ATOM 639 OE1 GLU A 42 -1.395 -4.651 -14.369 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.124 -5.543 -15.392 1.00 0.00 O ATOM 0 H GLU A 42 -6.145 -1.794 -12.563 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.852 -4.365 -13.086 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.578 -1.652 -13.429 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.616 -2.976 -12.802 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.205 -3.321 -15.345 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.658 -2.499 -15.374 1.00 0.00 H new ATOM 647 N GLU A 43 -4.403 -4.510 -10.661 1.00 0.00 N ATOM 648 CA GLU A 43 -4.241 -4.639 -9.217 1.00 0.00 C ATOM 649 C GLU A 43 -2.853 -4.177 -8.782 1.00 0.00 C ATOM 650 O GLU A 43 -1.960 -3.996 -9.610 1.00 0.00 O ATOM 651 CB GLU A 43 -4.468 -6.089 -8.784 1.00 0.00 C ATOM 652 CG GLU A 43 -5.702 -6.723 -9.402 1.00 0.00 C ATOM 653 CD GLU A 43 -5.427 -7.330 -10.764 1.00 0.00 C ATOM 654 OE1 GLU A 43 -4.460 -8.111 -10.882 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.179 -7.022 -11.713 1.00 0.00 O ATOM 0 H GLU A 43 -4.371 -5.393 -11.170 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.984 -4.003 -8.735 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.593 -6.681 -9.053 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.556 -6.125 -7.698 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.082 -7.496 -8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.484 -5.970 -9.495 1.00 0.00 H new ATOM 662 N TYR A 44 -2.681 -3.989 -7.479 1.00 0.00 N ATOM 663 CA TYR A 44 -1.404 -3.546 -6.933 1.00 0.00 C ATOM 664 C TYR A 44 -1.272 -3.940 -5.465 1.00 0.00 C ATOM 665 O TYR A 44 -2.225 -3.831 -4.693 1.00 0.00 O ATOM 666 CB TYR A 44 -1.261 -2.030 -7.079 1.00 0.00 C ATOM 667 CG TYR A 44 -1.058 -1.576 -8.507 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.137 -1.435 -9.372 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.212 -1.289 -8.992 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.956 -1.021 -10.678 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.401 -0.873 -10.296 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.686 -0.741 -11.135 1.00 0.00 C ATOM 673 OH TYR A 44 -0.501 -0.329 -12.435 1.00 0.00 O ATOM 0 H TYR A 44 -3.410 -4.136 -6.781 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.609 -4.036 -7.495 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.153 -1.549 -6.677 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.418 -1.693 -6.476 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.134 -1.653 -9.017 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.066 -1.393 -8.339 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.805 -0.917 -11.337 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.395 -0.652 -10.657 1.00 0.00 H new ATOM 0 HH TYR A 44 0.453 -0.172 -12.596 1.00 0.00 H new ATOM 683 N CYS A 45 -0.084 -4.400 -5.087 1.00 0.00 N ATOM 684 CA CYS A 45 0.175 -4.812 -3.712 1.00 0.00 C ATOM 685 C CYS A 45 0.599 -3.621 -2.859 1.00 0.00 C ATOM 686 O CYS A 45 1.674 -3.053 -3.057 1.00 0.00 O ATOM 687 CB CYS A 45 1.257 -5.892 -3.676 1.00 0.00 C ATOM 688 SG CYS A 45 1.131 -7.016 -2.266 1.00 0.00 S ATOM 0 H CYS A 45 0.715 -4.497 -5.714 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.748 -5.220 -3.301 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.205 -6.474 -4.596 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.235 -5.411 -3.657 1.00 0.00 H new ATOM 0 HG CYS A 45 2.087 -7.895 -2.325 1.00 0.00 H new ATOM 694 N LEU A 46 -0.253 -3.247 -1.910 1.00 0.00 N ATOM 695 CA LEU A 46 0.033 -2.122 -1.026 1.00 0.00 C ATOM 696 C LEU A 46 1.287 -2.384 -0.198 1.00 0.00 C ATOM 697 O LEU A 46 1.458 -3.468 0.362 1.00 0.00 O ATOM 698 CB LEU A 46 -1.157 -1.860 -0.101 1.00 0.00 C ATOM 699 CG LEU A 46 -1.007 -0.689 0.870 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.984 0.631 0.116 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.131 -0.700 1.897 1.00 0.00 C ATOM 0 H LEU A 46 -1.147 -3.706 -1.733 1.00 0.00 H new ATOM 0 HA LEU A 46 0.206 -1.241 -1.644 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.039 -1.684 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.348 -2.764 0.478 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.059 -0.799 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.877 1.453 0.824 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.144 0.639 -0.579 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.915 0.749 -0.439 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.008 0.141 2.580 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.091 -0.616 1.387 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.100 -1.633 2.460 1.00 0.00 H new ATOM 713 N LEU A 47 2.159 -1.386 -0.123 1.00 0.00 N ATOM 714 CA LEU A 47 3.397 -1.507 0.639 1.00 0.00 C ATOM 715 C LEU A 47 3.285 -0.785 1.978 1.00 0.00 C ATOM 716 O LEU A 47 3.347 -1.409 3.038 1.00 0.00 O ATOM 717 CB LEU A 47 4.570 -0.940 -0.163 1.00 0.00 C ATOM 718 CG LEU A 47 4.958 -1.713 -1.423 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.023 -0.960 -2.206 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.446 -3.109 -1.064 1.00 0.00 C ATOM 0 H LEU A 47 2.032 -0.483 -0.581 1.00 0.00 H new ATOM 0 HA LEU A 47 3.574 -2.565 0.832 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.327 0.083 -0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.441 -0.890 0.491 1.00 0.00 H new ATOM 0 HG LEU A 47 4.073 -1.809 -2.052 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.286 -1.526 -3.099 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.638 0.018 -2.496 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.909 -0.831 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.718 -3.645 -1.974 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.317 -3.034 -0.413 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.653 -3.650 -0.548 1.00 0.00 H new ATOM 732 N ASP A 48 3.119 0.532 1.922 1.00 0.00 N ATOM 733 CA ASP A 48 2.995 1.338 3.131 1.00 0.00 C ATOM 734 C ASP A 48 1.893 2.381 2.977 1.00 0.00 C ATOM 735 O ASP A 48 1.641 2.876 1.878 1.00 0.00 O ATOM 736 CB ASP A 48 4.324 2.026 3.449 1.00 0.00 C ATOM 737 CG ASP A 48 5.343 1.071 4.038 1.00 0.00 C ATOM 738 OD1 ASP A 48 5.284 0.820 5.260 1.00 0.00 O ATOM 739 OD2 ASP A 48 6.200 0.575 3.277 1.00 0.00 O ATOM 0 H ASP A 48 3.067 1.064 1.053 1.00 0.00 H new ATOM 0 HA ASP A 48 2.731 0.675 3.955 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.728 2.468 2.538 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.149 2.843 4.149 1.00 0.00 H new ATOM 744 N SER A 49 1.237 2.710 4.086 1.00 0.00 N ATOM 745 CA SER A 49 0.158 3.690 4.074 1.00 0.00 C ATOM 746 C SER A 49 0.458 4.841 5.030 1.00 0.00 C ATOM 747 O SER A 49 -0.400 5.253 5.811 1.00 0.00 O ATOM 748 CB SER A 49 -1.167 3.027 4.456 1.00 0.00 C ATOM 749 OG SER A 49 -1.054 2.337 5.689 1.00 0.00 O ATOM 0 H SER A 49 1.435 2.312 5.004 1.00 0.00 H new ATOM 0 HA SER A 49 0.077 4.091 3.064 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.948 3.784 4.529 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.469 2.332 3.673 1.00 0.00 H new ATOM 0 HG SER A 49 -1.914 1.923 5.912 1.00 0.00 H new ATOM 755 N SER A 50 1.682 5.354 4.962 1.00 0.00 N ATOM 756 CA SER A 50 2.098 6.454 5.824 1.00 0.00 C ATOM 757 C SER A 50 1.265 7.703 5.551 1.00 0.00 C ATOM 758 O SER A 50 0.743 8.327 6.474 1.00 0.00 O ATOM 759 CB SER A 50 3.582 6.762 5.613 1.00 0.00 C ATOM 760 OG SER A 50 4.084 7.586 6.651 1.00 0.00 O ATOM 0 H SER A 50 2.403 5.026 4.319 1.00 0.00 H new ATOM 0 HA SER A 50 1.940 6.151 6.859 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.148 5.831 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.721 7.257 4.652 1.00 0.00 H new ATOM 0 HG SER A 50 5.034 7.767 6.494 1.00 0.00 H new ATOM 766 N GLU A 51 1.145 8.060 4.276 1.00 0.00 N ATOM 767 CA GLU A 51 0.376 9.235 3.881 1.00 0.00 C ATOM 768 C GLU A 51 -1.068 8.858 3.564 1.00 0.00 C ATOM 769 O GLU A 51 -1.392 7.681 3.401 1.00 0.00 O ATOM 770 CB GLU A 51 1.018 9.907 2.666 1.00 0.00 C ATOM 771 CG GLU A 51 2.052 10.960 3.029 1.00 0.00 C ATOM 772 CD GLU A 51 1.424 12.284 3.419 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.721 12.326 4.451 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.634 13.278 2.693 1.00 0.00 O ATOM 0 H GLU A 51 1.570 7.553 3.500 1.00 0.00 H new ATOM 0 HA GLU A 51 0.376 9.935 4.716 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.490 9.144 2.047 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.237 10.369 2.062 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.663 10.595 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.720 11.115 2.182 1.00 0.00 H new ATOM 781 N ILE A 52 -1.931 9.865 3.478 1.00 0.00 N ATOM 782 CA ILE A 52 -3.339 9.640 3.179 1.00 0.00 C ATOM 783 C ILE A 52 -3.616 9.791 1.687 1.00 0.00 C ATOM 784 O ILE A 52 -4.116 8.870 1.041 1.00 0.00 O ATOM 785 CB ILE A 52 -4.243 10.614 3.959 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.033 10.443 5.465 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.702 10.390 3.593 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.406 11.668 6.270 1.00 0.00 C ATOM 0 H ILE A 52 -1.679 10.844 3.611 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.567 8.620 3.487 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.973 11.635 3.687 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.625 9.596 5.812 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.987 10.200 5.653 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.328 11.085 4.152 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.839 10.557 2.525 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.986 9.367 3.840 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.232 11.475 7.328 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.796 12.513 5.950 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.459 11.900 6.112 1.00 0.00 H new ATOM 800 N HIS A 53 -3.287 10.960 1.146 1.00 0.00 N ATOM 801 CA HIS A 53 -3.498 11.231 -0.272 1.00 0.00 C ATOM 802 C HIS A 53 -2.556 10.394 -1.132 1.00 0.00 C ATOM 803 O HIS A 53 -2.934 9.922 -2.204 1.00 0.00 O ATOM 804 CB HIS A 53 -3.289 12.717 -0.564 1.00 0.00 C ATOM 805 CG HIS A 53 -3.948 13.622 0.430 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.297 13.905 0.411 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.436 14.308 1.479 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.587 14.728 1.404 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.474 14.987 2.067 1.00 0.00 N ATOM 0 H HIS A 53 -2.874 11.734 1.667 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.524 10.960 -0.520 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.220 12.928 -0.582 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.675 12.941 -1.558 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.403 14.319 1.794 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.566 15.121 1.634 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.398 15.593 2.884 1.00 0.00 H new ATOM 818 N TRP A 54 -1.330 10.214 -0.654 1.00 0.00 N ATOM 819 CA TRP A 54 -0.335 9.434 -1.380 1.00 0.00 C ATOM 820 C TRP A 54 -0.093 8.091 -0.699 1.00 0.00 C ATOM 821 O TRP A 54 0.233 8.036 0.486 1.00 0.00 O ATOM 822 CB TRP A 54 0.978 10.212 -1.482 1.00 0.00 C ATOM 823 CG TRP A 54 0.821 11.563 -2.111 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.975 12.775 -1.500 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.476 11.839 -3.473 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.747 13.787 -2.400 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.440 13.240 -3.617 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.197 11.040 -4.585 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.135 13.855 -4.829 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.106 11.652 -5.786 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.134 13.048 -5.901 1.00 0.00 C ATOM 0 H TRP A 54 -1.001 10.597 0.232 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.718 9.248 -2.384 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.400 10.331 -0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.693 9.629 -2.063 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.237 12.917 -0.462 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.798 14.785 -2.195 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.218 9.963 -4.507 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.112 14.931 -4.920 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.325 11.044 -6.651 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.373 13.496 -6.854 1.00 0.00 H new ATOM 842 N TRP A 55 -0.254 7.012 -1.456 1.00 0.00 N ATOM 843 CA TRP A 55 -0.053 5.668 -0.924 1.00 0.00 C ATOM 844 C TRP A 55 1.086 4.961 -1.649 1.00 0.00 C ATOM 845 O TRP A 55 1.232 5.086 -2.865 1.00 0.00 O ATOM 846 CB TRP A 55 -1.339 4.850 -1.048 1.00 0.00 C ATOM 847 CG TRP A 55 -2.265 5.019 0.119 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.147 5.924 1.135 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.448 4.260 0.390 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.185 5.773 2.022 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.998 4.760 1.587 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.098 3.209 -0.262 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.165 4.243 2.143 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.256 2.696 0.291 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.781 3.214 1.483 1.00 0.00 C ATOM 0 H TRP A 55 -0.523 7.041 -2.439 1.00 0.00 H new ATOM 0 HA TRP A 55 0.212 5.757 0.130 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.859 5.140 -1.961 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.082 3.796 -1.149 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.354 6.651 1.227 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.327 6.326 2.867 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.702 2.805 -1.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.570 4.640 3.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.765 1.882 -0.204 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.689 2.793 1.889 1.00 0.00 H new ATOM 866 N ARG A 56 1.891 4.218 -0.896 1.00 0.00 N ATOM 867 CA ARG A 56 3.018 3.491 -1.469 1.00 0.00 C ATOM 868 C ARG A 56 2.621 2.060 -1.817 1.00 0.00 C ATOM 869 O ARG A 56 2.364 1.242 -0.933 1.00 0.00 O ATOM 870 CB ARG A 56 4.195 3.482 -0.492 1.00 0.00 C ATOM 871 CG ARG A 56 5.522 3.122 -1.141 1.00 0.00 C ATOM 872 CD ARG A 56 6.670 3.211 -0.147 1.00 0.00 C ATOM 873 NE ARG A 56 7.816 2.407 -0.562 1.00 0.00 N ATOM 874 CZ ARG A 56 8.812 2.073 0.251 1.00 0.00 C ATOM 875 NH1 ARG A 56 8.803 2.472 1.515 1.00 0.00 N ATOM 876 NH2 ARG A 56 9.820 1.338 -0.200 1.00 0.00 N ATOM 0 H ARG A 56 1.784 4.104 0.112 1.00 0.00 H new ATOM 0 HA ARG A 56 3.319 3.999 -2.385 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.281 4.466 -0.031 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.987 2.772 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.468 2.112 -1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.712 3.792 -1.979 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.977 4.251 -0.040 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.328 2.877 0.833 1.00 0.00 H new ATOM 0 HE ARG A 56 7.854 2.084 -1.529 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.030 3.037 1.866 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.569 2.214 2.137 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.831 1.029 -1.172 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.584 1.082 0.425 1.00 0.00 H new ATOM 890 N VAL A 57 2.571 1.763 -3.112 1.00 0.00 N ATOM 891 CA VAL A 57 2.206 0.431 -3.578 1.00 0.00 C ATOM 892 C VAL A 57 3.212 -0.089 -4.599 1.00 0.00 C ATOM 893 O VAL A 57 4.062 0.658 -5.082 1.00 0.00 O ATOM 894 CB VAL A 57 0.801 0.422 -4.208 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.214 1.041 -3.258 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.810 1.154 -5.542 1.00 0.00 C ATOM 0 H VAL A 57 2.779 2.428 -3.857 1.00 0.00 H new ATOM 0 HA VAL A 57 2.209 -0.221 -2.705 1.00 0.00 H new ATOM 0 HB VAL A 57 0.510 -0.613 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.201 1.026 -3.720 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.239 0.470 -2.330 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.070 2.071 -3.043 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.191 1.138 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.122 2.187 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.506 0.662 -6.222 1.00 0.00 H new ATOM 906 N GLN A 58 3.107 -1.373 -4.924 1.00 0.00 N ATOM 907 CA GLN A 58 4.008 -1.993 -5.888 1.00 0.00 C ATOM 908 C GLN A 58 3.226 -2.648 -7.022 1.00 0.00 C ATOM 909 O GLN A 58 2.091 -3.085 -6.834 1.00 0.00 O ATOM 910 CB GLN A 58 4.893 -3.032 -5.197 1.00 0.00 C ATOM 911 CG GLN A 58 6.024 -3.547 -6.072 1.00 0.00 C ATOM 912 CD GLN A 58 7.154 -4.158 -5.266 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.272 -5.380 -5.168 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.992 -3.309 -4.684 1.00 0.00 N ATOM 0 H GLN A 58 2.407 -2.004 -4.534 1.00 0.00 H new ATOM 0 HA GLN A 58 4.640 -1.211 -6.311 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.315 -2.594 -4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.275 -3.873 -4.884 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.632 -4.292 -6.764 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.415 -2.727 -6.674 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.856 -2.304 -4.792 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.772 -3.662 -4.129 1.00 0.00 H new ATOM 923 N ASP A 59 3.840 -2.711 -8.198 1.00 0.00 N ATOM 924 CA ASP A 59 3.201 -3.313 -9.363 1.00 0.00 C ATOM 925 C ASP A 59 3.514 -4.804 -9.444 1.00 0.00 C ATOM 926 O ASP A 59 4.396 -5.302 -8.745 1.00 0.00 O ATOM 927 CB ASP A 59 3.661 -2.612 -10.642 1.00 0.00 C ATOM 928 CG ASP A 59 3.379 -3.433 -11.885 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.199 -3.767 -12.120 1.00 0.00 O ATOM 930 OD2 ASP A 59 4.338 -3.742 -12.623 1.00 0.00 O ATOM 0 H ASP A 59 4.779 -2.353 -8.370 1.00 0.00 H new ATOM 0 HA ASP A 59 2.123 -3.192 -9.259 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.159 -1.648 -10.725 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.730 -2.410 -10.578 1.00 0.00 H new ATOM 935 N ARG A 60 2.784 -5.510 -10.301 1.00 0.00 N ATOM 936 CA ARG A 60 2.982 -6.945 -10.472 1.00 0.00 C ATOM 937 C ARG A 60 4.409 -7.247 -10.918 1.00 0.00 C ATOM 938 O ARG A 60 5.007 -8.234 -10.492 1.00 0.00 O ATOM 939 CB ARG A 60 1.988 -7.500 -11.494 1.00 0.00 C ATOM 940 CG ARG A 60 2.225 -8.960 -11.843 1.00 0.00 C ATOM 941 CD ARG A 60 1.068 -9.537 -12.644 1.00 0.00 C ATOM 942 NE ARG A 60 1.501 -10.608 -13.537 1.00 0.00 N ATOM 943 CZ ARG A 60 0.663 -11.382 -14.217 1.00 0.00 C ATOM 944 NH1 ARG A 60 -0.647 -11.204 -14.105 1.00 0.00 N ATOM 945 NH2 ARG A 60 1.133 -12.336 -15.010 1.00 0.00 N ATOM 0 H ARG A 60 2.050 -5.112 -10.888 1.00 0.00 H new ATOM 0 HA ARG A 60 2.811 -7.428 -9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 60 0.977 -7.388 -11.103 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.045 -6.904 -12.405 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.148 -9.053 -12.416 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.359 -9.537 -10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.309 -9.919 -11.961 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.601 -8.744 -13.228 1.00 0.00 H new ATOM 0 HE ARG A 60 2.502 -10.771 -13.644 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.012 -10.472 -13.496 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.289 -11.799 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.139 -12.476 -15.098 1.00 0.00 H new ATOM 0 HH22 ARG A 60 0.488 -12.930 -15.531 1.00 0.00 H new ATOM 959 N ASN A 61 4.949 -6.390 -11.779 1.00 0.00 N ATOM 960 CA ASN A 61 6.306 -6.566 -12.284 1.00 0.00 C ATOM 961 C ASN A 61 7.333 -6.298 -11.188 1.00 0.00 C ATOM 962 O ASN A 61 8.281 -7.062 -11.011 1.00 0.00 O ATOM 963 CB ASN A 61 6.555 -5.635 -13.472 1.00 0.00 C ATOM 964 CG ASN A 61 5.709 -5.997 -14.678 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.650 -5.413 -14.904 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.176 -6.965 -15.458 1.00 0.00 N ATOM 0 H ASN A 61 4.468 -5.567 -12.141 1.00 0.00 H new ATOM 0 HA ASN A 61 6.414 -7.600 -12.613 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.341 -4.608 -13.176 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.609 -5.674 -13.746 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.651 -7.252 -16.284 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.060 -7.421 -15.231 1.00 0.00 H new ATOM 973 N GLY A 62 7.137 -5.206 -10.455 1.00 0.00 N ATOM 974 CA GLY A 62 8.054 -4.856 -9.386 1.00 0.00 C ATOM 975 C GLY A 62 8.347 -3.370 -9.337 1.00 0.00 C ATOM 976 O GLY A 62 9.442 -2.958 -8.953 1.00 0.00 O ATOM 0 H GLY A 62 6.360 -4.558 -10.582 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.632 -5.172 -8.432 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.987 -5.403 -9.518 1.00 0.00 H new ATOM 980 N HIS A 63 7.367 -2.561 -9.728 1.00 0.00 N ATOM 981 CA HIS A 63 7.526 -1.112 -9.728 1.00 0.00 C ATOM 982 C HIS A 63 6.597 -0.463 -8.706 1.00 0.00 C ATOM 983 O HIS A 63 5.378 -0.616 -8.778 1.00 0.00 O ATOM 984 CB HIS A 63 7.244 -0.546 -11.121 1.00 0.00 C ATOM 985 CG HIS A 63 7.750 -1.413 -12.233 1.00 0.00 C ATOM 986 ND1 HIS A 63 7.110 -1.529 -13.448 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.844 -2.208 -12.308 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.786 -2.358 -14.223 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.843 -2.784 -13.555 1.00 0.00 N ATOM 0 H HIS A 63 6.455 -2.885 -10.049 1.00 0.00 H new ATOM 0 HA HIS A 63 8.556 -0.885 -9.453 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.169 -0.410 -11.238 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.701 0.440 -11.203 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.580 -2.361 -11.532 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.520 -2.640 -15.231 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.545 -3.435 -13.908 1.00 0.00 H new ATOM 998 N GLU A 64 7.182 0.259 -7.756 1.00 0.00 N ATOM 999 CA GLU A 64 6.406 0.929 -6.719 1.00 0.00 C ATOM 1000 C GLU A 64 6.628 2.438 -6.762 1.00 0.00 C ATOM 1001 O GLU A 64 7.473 2.931 -7.508 1.00 0.00 O ATOM 1002 CB GLU A 64 6.783 0.386 -5.339 1.00 0.00 C ATOM 1003 CG GLU A 64 8.272 0.135 -5.169 1.00 0.00 C ATOM 1004 CD GLU A 64 9.064 1.418 -5.003 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.577 2.331 -4.305 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.173 1.507 -5.572 1.00 0.00 O ATOM 0 H GLU A 64 8.190 0.395 -7.683 1.00 0.00 H new ATOM 0 HA GLU A 64 5.351 0.730 -6.905 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.453 1.093 -4.577 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.244 -0.545 -5.165 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.432 -0.502 -4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.646 -0.409 -6.036 1.00 0.00 H new ATOM 1013 N GLY A 65 5.862 3.166 -5.956 1.00 0.00 N ATOM 1014 CA GLY A 65 5.989 4.612 -5.917 1.00 0.00 C ATOM 1015 C GLY A 65 4.834 5.276 -5.195 1.00 0.00 C ATOM 1016 O GLY A 65 4.112 4.628 -4.437 1.00 0.00 O ATOM 0 H GLY A 65 5.156 2.781 -5.329 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.923 4.878 -5.423 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.046 4.996 -6.935 1.00 0.00 H new ATOM 1020 N TYR A 66 4.659 6.572 -5.428 1.00 0.00 N ATOM 1021 CA TYR A 66 3.586 7.326 -4.791 1.00 0.00 C ATOM 1022 C TYR A 66 2.429 7.552 -5.759 1.00 0.00 C ATOM 1023 O TYR A 66 2.611 8.106 -6.843 1.00 0.00 O ATOM 1024 CB TYR A 66 4.111 8.670 -4.283 1.00 0.00 C ATOM 1025 CG TYR A 66 5.033 8.549 -3.091 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.672 7.792 -1.983 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.264 9.191 -3.072 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.510 7.679 -0.891 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.110 9.083 -1.985 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.729 8.325 -0.897 1.00 0.00 C ATOM 1031 OH TYR A 66 7.568 8.216 0.188 1.00 0.00 O ATOM 0 H TYR A 66 5.247 7.123 -6.054 1.00 0.00 H new ATOM 0 HA TYR A 66 3.219 6.743 -3.946 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.641 9.173 -5.092 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.265 9.303 -4.015 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.719 7.283 -1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.566 9.785 -3.922 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.213 7.088 -0.037 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.064 9.589 -1.987 1.00 0.00 H new ATOM 0 HH TYR A 66 8.386 8.730 0.022 1.00 0.00 H new ATOM 1041 N VAL A 67 1.238 7.119 -5.359 1.00 0.00 N ATOM 1042 CA VAL A 67 0.050 7.274 -6.189 1.00 0.00 C ATOM 1043 C VAL A 67 -1.140 7.748 -5.362 1.00 0.00 C ATOM 1044 O VAL A 67 -1.239 7.485 -4.163 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.321 5.955 -6.892 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.671 5.645 -8.003 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.381 4.815 -5.887 1.00 0.00 C ATOM 0 H VAL A 67 1.070 6.658 -4.465 1.00 0.00 H new ATOM 0 HA VAL A 67 0.287 8.024 -6.943 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.308 6.067 -7.340 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.393 4.710 -8.488 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.660 6.452 -8.736 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.672 5.552 -7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.644 3.890 -6.401 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.592 4.700 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.133 5.036 -5.130 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.068 8.464 -6.015 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.269 8.989 -5.360 1.00 0.00 C ATOM 1059 C PRO A 68 -4.249 7.886 -4.976 1.00 0.00 C ATOM 1060 O PRO A 68 -4.821 7.222 -5.841 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.882 9.903 -6.423 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.389 9.360 -7.720 1.00 0.00 C ATOM 1063 CD PRO A 68 -2.015 8.815 -7.444 1.00 0.00 C ATOM 0 HA PRO A 68 -3.034 9.498 -4.425 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.971 9.889 -6.376 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.570 10.938 -6.283 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.051 8.579 -8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.354 10.139 -8.482 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.796 7.945 -8.064 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.241 9.555 -7.648 1.00 0.00 H new ATOM 1071 N SER A 69 -4.440 7.695 -3.675 1.00 0.00 N ATOM 1072 CA SER A 69 -5.349 6.670 -3.177 1.00 0.00 C ATOM 1073 C SER A 69 -6.661 6.682 -3.956 1.00 0.00 C ATOM 1074 O SER A 69 -7.256 5.635 -4.208 1.00 0.00 O ATOM 1075 CB SER A 69 -5.625 6.882 -1.687 1.00 0.00 C ATOM 1076 OG SER A 69 -6.295 8.110 -1.463 1.00 0.00 O ATOM 0 H SER A 69 -3.977 8.237 -2.946 1.00 0.00 H new ATOM 0 HA SER A 69 -4.873 5.699 -3.316 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.229 6.059 -1.305 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.685 6.871 -1.135 1.00 0.00 H new ATOM 0 HG SER A 69 -6.462 8.222 -0.504 1.00 0.00 H new ATOM 1082 N SER A 70 -7.106 7.877 -4.333 1.00 0.00 N ATOM 1083 CA SER A 70 -8.349 8.028 -5.080 1.00 0.00 C ATOM 1084 C SER A 70 -8.447 6.985 -6.189 1.00 0.00 C ATOM 1085 O SER A 70 -9.490 6.358 -6.376 1.00 0.00 O ATOM 1086 CB SER A 70 -8.443 9.434 -5.676 1.00 0.00 C ATOM 1087 OG SER A 70 -8.521 10.416 -4.658 1.00 0.00 O ATOM 0 H SER A 70 -6.624 8.754 -4.133 1.00 0.00 H new ATOM 0 HA SER A 70 -9.179 7.878 -4.390 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.573 9.625 -6.304 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.321 9.502 -6.319 1.00 0.00 H new ATOM 0 HG SER A 70 -8.578 11.306 -5.065 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.354 6.806 -6.922 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.316 5.841 -8.015 1.00 0.00 C ATOM 1095 C TYR A 71 -7.355 4.412 -7.482 1.00 0.00 C ATOM 1096 O TYR A 71 -8.059 3.556 -8.019 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.058 6.047 -8.861 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.142 7.237 -9.790 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.653 8.452 -9.350 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.710 7.146 -11.107 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.732 9.542 -10.196 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.783 8.231 -11.959 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.295 9.426 -11.499 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.372 10.509 -12.345 1.00 0.00 O ATOM 0 H TYR A 71 -6.482 7.316 -6.779 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.196 6.001 -8.638 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.201 6.173 -8.199 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.875 5.149 -9.450 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.994 8.546 -8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.310 6.211 -11.471 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.133 10.479 -9.839 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.441 8.144 -12.980 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.022 10.261 -13.226 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.596 4.162 -6.421 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.543 2.837 -5.813 1.00 0.00 C ATOM 1116 C LEU A 72 -7.868 2.495 -5.139 1.00 0.00 C ATOM 1117 O LEU A 72 -8.512 3.355 -4.538 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.406 2.768 -4.792 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.000 3.032 -5.334 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.974 2.963 -4.214 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.658 2.038 -6.435 1.00 0.00 C ATOM 0 H LEU A 72 -6.009 4.859 -5.964 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.359 2.108 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.610 3.490 -4.001 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.417 1.780 -4.332 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.977 4.036 -5.758 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.980 3.153 -4.619 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.208 3.714 -3.459 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.997 1.972 -3.760 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.654 2.240 -6.809 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.699 1.025 -6.036 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.376 2.136 -7.250 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.268 1.231 -5.240 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.514 0.773 -4.638 1.00 0.00 C ATOM 1135 C VAL A 73 -9.333 -0.581 -3.962 1.00 0.00 C ATOM 1136 O VAL A 73 -8.706 -1.483 -4.517 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.638 0.666 -5.686 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.629 1.878 -6.605 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.499 -0.621 -6.486 1.00 0.00 C ATOM 0 H VAL A 73 -7.747 0.506 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.795 1.514 -3.890 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.595 0.642 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.430 1.784 -7.338 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.780 2.782 -6.016 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.670 1.937 -7.120 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.301 -0.681 -7.222 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.536 -0.630 -6.997 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.560 -1.476 -5.813 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.887 -0.716 -2.761 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.785 -1.962 -2.010 1.00 0.00 C ATOM 1151 C GLU A 74 -10.513 -3.093 -2.731 1.00 0.00 C ATOM 1152 O GLU A 74 -11.742 -3.117 -2.791 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.363 -1.784 -0.604 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.722 -2.687 0.436 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.666 -3.028 1.573 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -11.108 -2.095 2.276 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.961 -4.227 1.761 1.00 0.00 O ATOM 0 H GLU A 74 -10.410 0.021 -2.288 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.730 -2.224 -1.932 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.238 -0.745 -0.298 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.435 -1.981 -0.633 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.389 -3.608 -0.043 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.835 -2.198 0.839 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.744 -4.029 -3.277 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.313 -5.164 -3.994 1.00 0.00 C ATOM 1166 C LYS A 75 -11.361 -5.875 -3.144 1.00 0.00 C ATOM 1167 O LYS A 75 -11.073 -6.324 -2.035 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.210 -6.148 -4.390 1.00 0.00 C ATOM 1169 CG LYS A 75 -9.695 -7.279 -5.280 1.00 0.00 C ATOM 1170 CD LYS A 75 -8.596 -7.769 -6.208 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.170 -8.468 -7.431 1.00 0.00 C ATOM 1172 NZ LYS A 75 -8.177 -9.380 -8.066 1.00 0.00 N ATOM 0 H LYS A 75 -8.725 -4.024 -3.237 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.796 -4.787 -4.895 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.418 -5.605 -4.906 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.770 -6.571 -3.487 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.045 -8.105 -4.661 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.546 -6.939 -5.870 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.982 -6.925 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.942 -8.455 -5.669 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.054 -9.037 -7.143 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.494 -7.722 -8.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.274 -9.332 -9.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.216 -9.090 -7.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -8.348 -10.355 -7.747 1.00 0.00 H new