USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 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 31:sc= 0.246 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 166:sc= 0.106 USER MOD Single : A 41 ASN : amide:sc= -1.55 K(o=-1.6,f=-4.3!) USER MOD Single : A 44 TYR OH : rot -66:sc= 0.588 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 -95:sc= 0.524 USER MOD Single : A 53 HIS : no HD1:sc= -0.137 X(o=-0.14,f=-0.1) USER MOD Single : A 58 GLN : amide:sc= -0.194 X(o=-0.19,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.103 K(o=-0.1,f=-2.2!) USER MOD Single : A 63 HIS : no HD1:sc= -1.27 K(o=-1.3,f=-0.24) 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+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.079 -6.905 1.407 1.00 0.00 N ATOM 272 CA THR A 20 -3.963 -5.864 0.898 1.00 0.00 C ATOM 273 C THR A 20 -3.710 -5.604 -0.583 1.00 0.00 C ATOM 274 O THR A 20 -2.642 -5.125 -0.966 1.00 0.00 O ATOM 275 CB THR A 20 -3.786 -4.547 1.676 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.775 -4.808 3.084 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.903 -3.569 1.346 1.00 0.00 C ATOM 0 HA THR A 20 -4.984 -6.222 1.032 1.00 0.00 H new ATOM 0 HB THR A 20 -2.836 -4.102 1.381 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.389 -5.694 3.250 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.756 -2.646 1.908 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.891 -3.350 0.278 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.863 -4.009 1.615 1.00 0.00 H new ATOM 285 N VAL A 21 -4.699 -5.921 -1.412 1.00 0.00 N ATOM 286 CA VAL A 21 -4.584 -5.720 -2.852 1.00 0.00 C ATOM 287 C VAL A 21 -5.550 -4.644 -3.335 1.00 0.00 C ATOM 288 O VAL A 21 -6.764 -4.767 -3.175 1.00 0.00 O ATOM 289 CB VAL A 21 -4.857 -7.024 -3.625 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.737 -6.791 -5.123 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.907 -8.121 -3.169 1.00 0.00 C ATOM 0 H VAL A 21 -5.589 -6.318 -1.111 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.560 -5.399 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.876 -7.347 -3.413 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.933 -7.723 -5.653 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.461 -6.038 -5.433 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.730 -6.445 -5.358 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.113 -9.035 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.878 -7.810 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -4.048 -8.305 -2.104 1.00 0.00 H new ATOM 301 N VAL A 22 -5.002 -3.587 -3.927 1.00 0.00 N ATOM 302 CA VAL A 22 -5.816 -2.489 -4.436 1.00 0.00 C ATOM 303 C VAL A 22 -5.789 -2.445 -5.960 1.00 0.00 C ATOM 304 O VAL A 22 -4.922 -3.049 -6.593 1.00 0.00 O ATOM 305 CB VAL A 22 -5.335 -1.133 -3.886 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.934 -0.872 -2.512 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.815 -1.089 -3.832 1.00 0.00 C ATOM 0 H VAL A 22 -3.999 -3.468 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.837 -2.669 -4.099 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.674 -0.346 -4.559 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.583 0.090 -2.139 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.021 -0.858 -2.586 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.627 -1.661 -1.825 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.493 -0.124 -3.441 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.451 -1.884 -3.181 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.411 -1.227 -4.835 1.00 0.00 H new ATOM 317 N ILE A 23 -6.743 -1.727 -6.542 1.00 0.00 N ATOM 318 CA ILE A 23 -6.828 -1.604 -7.992 1.00 0.00 C ATOM 319 C ILE A 23 -7.010 -0.148 -8.410 1.00 0.00 C ATOM 320 O ILE A 23 -7.623 0.642 -7.693 1.00 0.00 O ATOM 321 CB ILE A 23 -7.991 -2.438 -8.561 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.070 -3.792 -7.852 1.00 0.00 C ATOM 323 CG2 ILE A 23 -7.821 -2.629 -10.061 1.00 0.00 C ATOM 324 CD1 ILE A 23 -8.911 -3.767 -6.595 1.00 0.00 C ATOM 0 H ILE A 23 -7.468 -1.222 -6.032 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.889 -1.982 -8.396 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.924 -1.902 -8.386 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.482 -4.530 -8.540 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.062 -4.120 -7.599 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.650 -3.220 -10.449 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -7.808 -1.656 -10.552 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.883 -3.148 -10.258 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -8.923 -4.760 -6.145 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.488 -3.053 -5.888 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.930 -3.470 -6.845 1.00 0.00 H new ATOM 336 N ALA A 24 -6.473 0.198 -9.575 1.00 0.00 N ATOM 337 CA ALA A 24 -6.579 1.557 -10.091 1.00 0.00 C ATOM 338 C ALA A 24 -7.779 1.700 -11.022 1.00 0.00 C ATOM 339 O ALA A 24 -7.927 0.941 -11.980 1.00 0.00 O ATOM 340 CB ALA A 24 -5.299 1.949 -10.814 1.00 0.00 C ATOM 0 H ALA A 24 -5.960 -0.444 -10.179 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.726 2.229 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.393 2.966 -11.194 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.459 1.896 -10.121 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.127 1.266 -11.645 1.00 0.00 H new ATOM 346 N LEU A 25 -8.633 2.675 -10.733 1.00 0.00 N ATOM 347 CA LEU A 25 -9.821 2.916 -11.544 1.00 0.00 C ATOM 348 C LEU A 25 -9.445 3.512 -12.897 1.00 0.00 C ATOM 349 O LEU A 25 -10.122 3.280 -13.899 1.00 0.00 O ATOM 350 CB LEU A 25 -10.782 3.854 -10.811 1.00 0.00 C ATOM 351 CG LEU A 25 -11.202 3.419 -9.406 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.491 4.633 -8.536 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.417 2.506 -9.471 1.00 0.00 C ATOM 0 H LEU A 25 -8.525 3.312 -9.943 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.315 1.959 -11.713 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.316 4.837 -10.742 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.680 3.969 -11.418 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.379 2.863 -8.957 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.788 4.304 -7.540 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.595 5.249 -8.462 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.297 5.216 -8.981 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.701 2.207 -8.462 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.246 3.036 -9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.175 1.620 -10.058 1.00 0.00 H new ATOM 365 N TYR A 26 -8.361 4.279 -12.919 1.00 0.00 N ATOM 366 CA TYR A 26 -7.894 4.909 -14.148 1.00 0.00 C ATOM 367 C TYR A 26 -6.376 4.815 -14.267 1.00 0.00 C ATOM 368 O TYR A 26 -5.677 4.602 -13.276 1.00 0.00 O ATOM 369 CB TYR A 26 -8.331 6.374 -14.193 1.00 0.00 C ATOM 370 CG TYR A 26 -9.712 6.612 -13.626 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.846 6.443 -14.412 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.884 7.007 -12.306 1.00 0.00 C ATOM 373 CE1 TYR A 26 -12.110 6.660 -13.899 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.144 7.225 -11.783 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.254 7.050 -12.584 1.00 0.00 C ATOM 376 OH TYR A 26 -13.511 7.267 -12.068 1.00 0.00 O ATOM 0 H TYR A 26 -7.789 4.480 -12.099 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.339 4.378 -14.990 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.611 6.976 -13.639 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.307 6.720 -15.226 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.737 6.137 -15.442 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -9.017 7.146 -11.677 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.980 6.525 -14.524 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.260 7.531 -10.754 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.437 7.535 -11.128 1.00 0.00 H new ATOM 386 N ASP A 27 -5.873 4.975 -15.486 1.00 0.00 N ATOM 387 CA ASP A 27 -4.438 4.911 -15.735 1.00 0.00 C ATOM 388 C ASP A 27 -3.765 6.234 -15.383 1.00 0.00 C ATOM 389 O ASP A 27 -3.768 7.174 -16.178 1.00 0.00 O ATOM 390 CB ASP A 27 -4.169 4.561 -17.200 1.00 0.00 C ATOM 391 CG ASP A 27 -5.085 5.306 -18.151 1.00 0.00 C ATOM 392 OD1 ASP A 27 -5.223 6.538 -17.999 1.00 0.00 O ATOM 393 OD2 ASP A 27 -5.663 4.657 -19.047 1.00 0.00 O ATOM 0 H ASP A 27 -6.438 5.150 -16.317 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.018 4.131 -15.100 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.132 4.794 -17.442 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.296 3.488 -17.343 1.00 0.00 H new ATOM 398 N TYR A 28 -3.191 6.299 -14.187 1.00 0.00 N ATOM 399 CA TYR A 28 -2.517 7.508 -13.728 1.00 0.00 C ATOM 400 C TYR A 28 -1.149 7.653 -14.387 1.00 0.00 C ATOM 401 O TYR A 28 -0.464 6.663 -14.644 1.00 0.00 O ATOM 402 CB TYR A 28 -2.363 7.485 -12.206 1.00 0.00 C ATOM 403 CG TYR A 28 -1.595 8.665 -11.657 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.057 9.963 -11.834 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.406 8.483 -10.961 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.358 11.045 -11.335 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.299 9.558 -10.457 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.181 10.837 -10.647 1.00 0.00 C ATOM 409 OH TYR A 28 0.518 11.912 -10.147 1.00 0.00 O ATOM 0 H TYR A 28 -3.179 5.529 -13.518 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.129 8.364 -14.012 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.353 7.462 -11.750 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.856 6.565 -11.914 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.979 10.129 -12.371 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -0.027 7.483 -10.812 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.731 12.048 -11.483 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.221 9.398 -9.917 1.00 0.00 H new ATOM 0 HH TYR A 28 1.187 11.597 -9.504 1.00 0.00 H new ATOM 507 N GLU A 35 7.170 9.174 -8.328 1.00 0.00 N ATOM 508 CA GLU A 35 5.784 8.785 -8.560 1.00 0.00 C ATOM 509 C GLU A 35 5.704 7.614 -9.536 1.00 0.00 C ATOM 510 O GLU A 35 6.584 7.432 -10.378 1.00 0.00 O ATOM 511 CB GLU A 35 4.982 9.970 -9.101 1.00 0.00 C ATOM 512 CG GLU A 35 4.752 11.068 -8.076 1.00 0.00 C ATOM 513 CD GLU A 35 3.952 12.229 -8.634 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.484 12.953 -9.502 1.00 0.00 O ATOM 515 OE2 GLU A 35 2.794 12.413 -8.204 1.00 0.00 O ATOM 0 HA GLU A 35 5.357 8.472 -7.607 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.505 10.390 -9.960 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.017 9.611 -9.460 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.229 10.652 -7.215 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.715 11.434 -7.718 1.00 0.00 H new ATOM 522 N LEU A 36 4.643 6.824 -9.416 1.00 0.00 N ATOM 523 CA LEU A 36 4.446 5.670 -10.287 1.00 0.00 C ATOM 524 C LEU A 36 3.164 5.813 -11.100 1.00 0.00 C ATOM 525 O LEU A 36 2.155 6.314 -10.603 1.00 0.00 O ATOM 526 CB LEU A 36 4.398 4.384 -9.459 1.00 0.00 C ATOM 527 CG LEU A 36 4.129 3.095 -10.237 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.433 2.484 -10.724 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.361 2.103 -9.375 1.00 0.00 C ATOM 0 H LEU A 36 3.906 6.961 -8.724 1.00 0.00 H new ATOM 0 HA LEU A 36 5.288 5.619 -10.978 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.348 4.277 -8.935 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.625 4.494 -8.698 1.00 0.00 H new ATOM 0 HG LEU A 36 3.519 3.338 -11.107 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.222 1.568 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.944 3.191 -11.377 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.069 2.255 -9.869 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.178 1.192 -9.944 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.945 1.865 -8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.409 2.541 -9.076 1.00 0.00 H new ATOM 541 N ALA A 37 3.210 5.368 -12.351 1.00 0.00 N ATOM 542 CA ALA A 37 2.050 5.443 -13.232 1.00 0.00 C ATOM 543 C ALA A 37 1.183 4.196 -13.104 1.00 0.00 C ATOM 544 O ALA A 37 1.576 3.107 -13.527 1.00 0.00 O ATOM 545 CB ALA A 37 2.495 5.634 -14.674 1.00 0.00 C ATOM 0 H ALA A 37 4.038 4.952 -12.778 1.00 0.00 H new ATOM 0 HA ALA A 37 1.451 6.302 -12.932 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.619 5.688 -15.321 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.067 6.558 -14.759 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.118 4.793 -14.977 1.00 0.00 H new ATOM 551 N LEU A 38 0.002 4.360 -12.518 1.00 0.00 N ATOM 552 CA LEU A 38 -0.922 3.246 -12.334 1.00 0.00 C ATOM 553 C LEU A 38 -1.598 2.875 -13.651 1.00 0.00 C ATOM 554 O LEU A 38 -1.608 3.662 -14.597 1.00 0.00 O ATOM 555 CB LEU A 38 -1.980 3.603 -11.288 1.00 0.00 C ATOM 556 CG LEU A 38 -1.486 3.716 -9.846 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.585 4.259 -8.946 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.000 2.365 -9.341 1.00 0.00 C ATOM 0 H LEU A 38 -0.338 5.253 -12.162 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.350 2.386 -11.986 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.436 4.552 -11.570 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.766 2.849 -11.324 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.648 4.413 -9.823 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.215 4.332 -7.923 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.886 5.247 -9.295 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.443 3.587 -8.974 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.652 2.465 -8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.819 1.646 -9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.181 2.015 -9.969 1.00 0.00 H new ATOM 570 N ARG A 39 -2.161 1.673 -13.703 1.00 0.00 N ATOM 571 CA ARG A 39 -2.840 1.198 -14.903 1.00 0.00 C ATOM 572 C ARG A 39 -4.310 0.905 -14.616 1.00 0.00 C ATOM 573 O ARG A 39 -4.647 0.314 -13.590 1.00 0.00 O ATOM 574 CB ARG A 39 -2.153 -0.059 -15.439 1.00 0.00 C ATOM 575 CG ARG A 39 -2.777 -0.597 -16.716 1.00 0.00 C ATOM 576 CD ARG A 39 -2.239 0.121 -17.944 1.00 0.00 C ATOM 577 NE ARG A 39 -0.836 -0.197 -18.193 1.00 0.00 N ATOM 578 CZ ARG A 39 -0.236 -0.006 -19.363 1.00 0.00 C ATOM 579 NH1 ARG A 39 -0.912 0.500 -20.384 1.00 0.00 N ATOM 580 NH2 ARG A 39 1.045 -0.321 -19.512 1.00 0.00 N ATOM 0 H ARG A 39 -2.161 1.010 -12.928 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.785 1.983 -15.657 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.102 0.163 -15.624 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.186 -0.835 -14.674 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.574 -1.665 -16.800 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.860 -0.481 -16.670 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.833 -0.155 -18.815 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -2.349 1.197 -17.812 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.287 -0.587 -17.427 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.896 0.744 -20.273 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.448 0.645 -21.281 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.569 -0.710 -18.728 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.505 -0.174 -20.410 1.00 0.00 H new ATOM 594 N ARG A 40 -5.180 1.323 -15.530 1.00 0.00 N ATOM 595 CA ARG A 40 -6.613 1.107 -15.375 1.00 0.00 C ATOM 596 C ARG A 40 -6.943 -0.383 -15.389 1.00 0.00 C ATOM 597 O ARG A 40 -6.560 -1.105 -16.308 1.00 0.00 O ATOM 598 CB ARG A 40 -7.382 1.821 -16.488 1.00 0.00 C ATOM 599 CG ARG A 40 -8.891 1.703 -16.359 1.00 0.00 C ATOM 600 CD ARG A 40 -9.600 2.879 -17.011 1.00 0.00 C ATOM 601 NE ARG A 40 -9.868 2.641 -18.427 1.00 0.00 N ATOM 602 CZ ARG A 40 -10.914 1.953 -18.871 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.786 1.438 -18.014 1.00 0.00 N ATOM 604 NH2 ARG A 40 -11.090 1.778 -20.174 1.00 0.00 N ATOM 0 H ARG A 40 -4.917 1.813 -16.385 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.915 1.520 -14.412 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.107 2.876 -16.488 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -7.075 1.411 -17.450 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.225 0.774 -16.821 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.164 1.651 -15.305 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.539 3.069 -16.491 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.989 3.775 -16.904 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.217 3.024 -19.112 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.654 1.570 -17.011 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.588 0.910 -18.358 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -10.422 2.172 -20.836 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -11.894 1.249 -20.514 1.00 0.00 H new ATOM 618 N ASN A 41 -7.656 -0.835 -14.362 1.00 0.00 N ATOM 619 CA ASN A 41 -8.037 -2.239 -14.256 1.00 0.00 C ATOM 620 C ASN A 41 -6.826 -3.108 -13.931 1.00 0.00 C ATOM 621 O ASN A 41 -6.676 -4.205 -14.468 1.00 0.00 O ATOM 622 CB ASN A 41 -8.685 -2.714 -15.558 1.00 0.00 C ATOM 623 CG ASN A 41 -9.712 -1.730 -16.085 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.132 -0.816 -15.376 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.120 -1.913 -17.335 1.00 0.00 N ATOM 0 H ASN A 41 -7.981 -0.250 -13.592 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.758 -2.333 -13.444 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.912 -2.866 -16.311 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.163 -3.680 -15.392 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.809 -1.282 -17.744 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.744 -2.685 -17.886 1.00 0.00 H new ATOM 632 N GLU A 42 -5.965 -2.609 -13.050 1.00 0.00 N ATOM 633 CA GLU A 42 -4.767 -3.340 -12.654 1.00 0.00 C ATOM 634 C GLU A 42 -4.585 -3.308 -11.140 1.00 0.00 C ATOM 635 O GLU A 42 -4.621 -2.244 -10.523 1.00 0.00 O ATOM 636 CB GLU A 42 -3.533 -2.750 -13.340 1.00 0.00 C ATOM 637 CG GLU A 42 -3.318 -3.264 -14.754 1.00 0.00 C ATOM 638 CD GLU A 42 -1.856 -3.271 -15.156 1.00 0.00 C ATOM 639 OE1 GLU A 42 -1.005 -2.949 -14.301 1.00 0.00 O ATOM 640 OE2 GLU A 42 -1.563 -3.598 -16.325 1.00 0.00 O ATOM 0 H GLU A 42 -6.075 -1.702 -12.597 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.886 -4.378 -12.966 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.627 -1.664 -13.368 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.651 -2.978 -12.741 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.718 -4.275 -14.834 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.880 -2.643 -15.452 1.00 0.00 H new ATOM 647 N GLU A 43 -4.390 -4.482 -10.548 1.00 0.00 N ATOM 648 CA GLU A 43 -4.204 -4.588 -9.105 1.00 0.00 C ATOM 649 C GLU A 43 -2.782 -4.198 -8.710 1.00 0.00 C ATOM 650 O GLU A 43 -1.881 -4.162 -9.548 1.00 0.00 O ATOM 651 CB GLU A 43 -4.503 -6.013 -8.633 1.00 0.00 C ATOM 652 CG GLU A 43 -5.912 -6.479 -8.961 1.00 0.00 C ATOM 653 CD GLU A 43 -6.008 -7.129 -10.328 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.071 -7.865 -10.702 1.00 0.00 O ATOM 655 OE2 GLU A 43 -7.020 -6.901 -11.022 1.00 0.00 O ATOM 0 H GLU A 43 -4.357 -5.372 -11.044 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.899 -3.900 -8.623 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.787 -6.696 -9.091 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.352 -6.069 -7.555 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.242 -7.188 -8.202 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.591 -5.628 -8.919 1.00 0.00 H new ATOM 662 N TYR A 44 -2.590 -3.907 -7.428 1.00 0.00 N ATOM 663 CA TYR A 44 -1.280 -3.516 -6.921 1.00 0.00 C ATOM 664 C TYR A 44 -1.151 -3.843 -5.437 1.00 0.00 C ATOM 665 O TYR A 44 -2.084 -3.637 -4.660 1.00 0.00 O ATOM 666 CB TYR A 44 -1.048 -2.021 -7.147 1.00 0.00 C ATOM 667 CG TYR A 44 -0.846 -1.653 -8.600 1.00 0.00 C ATOM 668 CD1 TYR A 44 -1.925 -1.563 -9.470 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.424 -1.395 -9.102 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.746 -1.227 -10.798 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.612 -1.057 -10.428 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.476 -0.975 -11.272 1.00 0.00 C ATOM 673 OH TYR A 44 -0.292 -0.640 -12.594 1.00 0.00 O ATOM 0 H TYR A 44 -3.325 -3.935 -6.721 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.524 -4.081 -7.466 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.901 -1.466 -6.755 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.174 -1.707 -6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.921 -1.759 -9.102 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.278 -1.460 -8.444 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.596 -1.162 -11.461 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.605 -0.858 -10.802 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.527 -1.404 -13.161 1.00 0.00 H new ATOM 683 N CYS A 45 0.013 -4.354 -5.050 1.00 0.00 N ATOM 684 CA CYS A 45 0.267 -4.711 -3.659 1.00 0.00 C ATOM 685 C CYS A 45 0.561 -3.469 -2.824 1.00 0.00 C ATOM 686 O CYS A 45 1.497 -2.722 -3.111 1.00 0.00 O ATOM 687 CB CYS A 45 1.437 -5.691 -3.567 1.00 0.00 C ATOM 688 SG CYS A 45 1.416 -6.730 -2.088 1.00 0.00 S ATOM 0 H CYS A 45 0.795 -4.530 -5.680 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.629 -5.189 -3.263 1.00 0.00 H new ATOM 0 HB2 CYS A 45 1.430 -6.332 -4.448 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.370 -5.129 -3.590 1.00 0.00 H new ATOM 0 HG CYS A 45 2.444 -7.526 -2.102 1.00 0.00 H new ATOM 694 N LEU A 46 -0.245 -3.253 -1.790 1.00 0.00 N ATOM 695 CA LEU A 46 -0.073 -2.100 -0.914 1.00 0.00 C ATOM 696 C LEU A 46 1.118 -2.298 0.019 1.00 0.00 C ATOM 697 O LEU A 46 1.065 -3.103 0.949 1.00 0.00 O ATOM 698 CB LEU A 46 -1.343 -1.863 -0.094 1.00 0.00 C ATOM 699 CG LEU A 46 -1.626 -0.413 0.300 1.00 0.00 C ATOM 700 CD1 LEU A 46 -3.047 -0.271 0.825 1.00 0.00 C ATOM 701 CD2 LEU A 46 -0.621 0.064 1.339 1.00 0.00 C ATOM 0 H LEU A 46 -1.024 -3.861 -1.538 1.00 0.00 H new ATOM 0 HA LEU A 46 0.118 -1.227 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.194 -2.237 -0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.281 -2.460 0.816 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.524 0.211 -0.588 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.231 0.767 1.101 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.753 -0.571 0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.177 -0.907 1.701 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.838 1.098 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.690 -0.564 2.227 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.386 -0.000 0.927 1.00 0.00 H new ATOM 713 N LEU A 47 2.191 -1.557 -0.235 1.00 0.00 N ATOM 714 CA LEU A 47 3.395 -1.649 0.583 1.00 0.00 C ATOM 715 C LEU A 47 3.178 -1.003 1.947 1.00 0.00 C ATOM 716 O LEU A 47 3.319 -1.653 2.983 1.00 0.00 O ATOM 717 CB LEU A 47 4.572 -0.979 -0.130 1.00 0.00 C ATOM 718 CG LEU A 47 5.012 -1.620 -1.446 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.057 -0.757 -2.137 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.552 -3.022 -1.203 1.00 0.00 C ATOM 0 H LEU A 47 2.252 -0.886 -1.001 1.00 0.00 H new ATOM 0 HA LEU A 47 3.622 -2.704 0.734 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.308 0.060 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.424 -0.969 0.549 1.00 0.00 H new ATOM 0 HG LEU A 47 4.143 -1.695 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.358 -1.229 -3.072 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.636 0.226 -2.346 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.926 -0.649 -1.488 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.860 -3.463 -2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.409 -2.971 -0.531 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.774 -3.638 -0.752 1.00 0.00 H new ATOM 732 N ASP A 48 2.831 0.280 1.940 1.00 0.00 N ATOM 733 CA ASP A 48 2.590 1.013 3.177 1.00 0.00 C ATOM 734 C ASP A 48 1.712 2.235 2.922 1.00 0.00 C ATOM 735 O ASP A 48 1.932 2.982 1.969 1.00 0.00 O ATOM 736 CB ASP A 48 3.916 1.445 3.805 1.00 0.00 C ATOM 737 CG ASP A 48 4.638 0.296 4.482 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.036 -0.341 5.371 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.804 0.034 4.121 1.00 0.00 O ATOM 0 H ASP A 48 2.711 0.833 1.092 1.00 0.00 H new ATOM 0 HA ASP A 48 2.068 0.350 3.868 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.558 1.870 3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.729 2.233 4.534 1.00 0.00 H new ATOM 744 N SER A 49 0.716 2.431 3.780 1.00 0.00 N ATOM 745 CA SER A 49 -0.198 3.558 3.645 1.00 0.00 C ATOM 746 C SER A 49 0.207 4.700 4.573 1.00 0.00 C ATOM 747 O SER A 49 -0.642 5.430 5.084 1.00 0.00 O ATOM 748 CB SER A 49 -1.631 3.120 3.954 1.00 0.00 C ATOM 749 OG SER A 49 -1.809 2.898 5.342 1.00 0.00 O ATOM 0 H SER A 49 0.522 1.824 4.576 1.00 0.00 H new ATOM 0 HA SER A 49 -0.148 3.913 2.616 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.330 3.884 3.612 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.862 2.208 3.404 1.00 0.00 H new ATOM 0 HG SER A 49 -2.733 2.621 5.513 1.00 0.00 H new ATOM 755 N SER A 50 1.511 4.848 4.784 1.00 0.00 N ATOM 756 CA SER A 50 2.030 5.898 5.652 1.00 0.00 C ATOM 757 C SER A 50 1.217 7.180 5.500 1.00 0.00 C ATOM 758 O SER A 50 0.731 7.739 6.482 1.00 0.00 O ATOM 759 CB SER A 50 3.501 6.172 5.333 1.00 0.00 C ATOM 760 OG SER A 50 4.005 7.235 6.124 1.00 0.00 O ATOM 0 H SER A 50 2.227 4.254 4.366 1.00 0.00 H new ATOM 0 HA SER A 50 1.947 5.556 6.684 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.089 5.272 5.511 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.608 6.418 4.277 1.00 0.00 H new ATOM 0 HG SER A 50 3.936 8.075 5.625 1.00 0.00 H new ATOM 766 N GLU A 51 1.076 7.640 4.261 1.00 0.00 N ATOM 767 CA GLU A 51 0.323 8.857 3.980 1.00 0.00 C ATOM 768 C GLU A 51 -1.137 8.535 3.675 1.00 0.00 C ATOM 769 O GLU A 51 -1.542 7.373 3.686 1.00 0.00 O ATOM 770 CB GLU A 51 0.948 9.609 2.802 1.00 0.00 C ATOM 771 CG GLU A 51 2.058 10.563 3.209 1.00 0.00 C ATOM 772 CD GLU A 51 3.373 9.853 3.466 1.00 0.00 C ATOM 773 OE1 GLU A 51 3.967 9.337 2.497 1.00 0.00 O ATOM 774 OE2 GLU A 51 3.807 9.813 4.636 1.00 0.00 O ATOM 0 H GLU A 51 1.473 7.189 3.437 1.00 0.00 H new ATOM 0 HA GLU A 51 0.360 9.490 4.867 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.345 8.886 2.090 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.169 10.170 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.198 11.307 2.425 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.758 11.101 4.108 1.00 0.00 H new ATOM 781 N ILE A 52 -1.921 9.573 3.404 1.00 0.00 N ATOM 782 CA ILE A 52 -3.336 9.401 3.096 1.00 0.00 C ATOM 783 C ILE A 52 -3.609 9.641 1.615 1.00 0.00 C ATOM 784 O ILE A 52 -4.133 8.769 0.920 1.00 0.00 O ATOM 785 CB ILE A 52 -4.213 10.354 3.929 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.950 10.151 5.422 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.684 10.135 3.610 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.416 11.306 6.281 1.00 0.00 C ATOM 0 H ILE A 52 -1.601 10.541 3.391 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.591 8.372 3.348 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.954 11.381 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.450 9.240 5.750 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.882 10.001 5.577 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.291 10.816 4.207 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.859 10.326 2.551 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.958 9.106 3.843 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.197 11.093 7.327 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.897 12.216 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.490 11.443 6.155 1.00 0.00 H new ATOM 800 N HIS A 53 -3.248 10.827 1.136 1.00 0.00 N ATOM 801 CA HIS A 53 -3.452 11.181 -0.264 1.00 0.00 C ATOM 802 C HIS A 53 -2.521 10.378 -1.168 1.00 0.00 C ATOM 803 O HIS A 53 -2.848 10.103 -2.322 1.00 0.00 O ATOM 804 CB HIS A 53 -3.220 12.678 -0.473 1.00 0.00 C ATOM 805 CG HIS A 53 -3.784 13.530 0.622 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.124 13.838 0.721 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.181 14.139 1.670 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.322 14.601 1.781 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.158 14.798 2.375 1.00 0.00 N ATOM 0 H HIS A 53 -2.813 11.559 1.697 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.482 10.941 -0.528 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.149 12.864 -0.552 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.666 12.977 -1.421 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.128 14.112 1.907 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.273 14.996 2.107 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.009 15.350 3.220 1.00 0.00 H new ATOM 818 N TRP A 54 -1.362 10.008 -0.636 1.00 0.00 N ATOM 819 CA TRP A 54 -0.384 9.238 -1.395 1.00 0.00 C ATOM 820 C TRP A 54 -0.089 7.907 -0.712 1.00 0.00 C ATOM 821 O TRP A 54 0.312 7.872 0.451 1.00 0.00 O ATOM 822 CB TRP A 54 0.909 10.038 -1.560 1.00 0.00 C ATOM 823 CG TRP A 54 0.700 11.382 -2.189 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.872 12.600 -1.596 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.277 11.644 -3.532 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.581 13.603 -2.489 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.215 13.043 -3.684 1.00 0.00 C ATOM 828 CE3 TRP A 54 -0.053 10.832 -4.621 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.164 13.645 -4.881 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.429 11.432 -5.808 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.482 12.826 -5.931 1.00 0.00 C ATOM 0 H TRP A 54 -1.077 10.229 0.318 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.805 9.034 -2.379 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.373 10.170 -0.583 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.607 9.464 -2.169 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.190 12.753 -0.575 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.630 14.603 -2.293 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.015 9.756 -4.536 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.206 14.720 -4.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.687 10.815 -6.656 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.780 13.264 -6.873 1.00 0.00 H new ATOM 842 N TRP A 55 -0.290 6.815 -1.441 1.00 0.00 N ATOM 843 CA TRP A 55 -0.045 5.482 -0.904 1.00 0.00 C ATOM 844 C TRP A 55 1.093 4.795 -1.650 1.00 0.00 C ATOM 845 O TRP A 55 1.199 4.901 -2.872 1.00 0.00 O ATOM 846 CB TRP A 55 -1.315 4.633 -0.991 1.00 0.00 C ATOM 847 CG TRP A 55 -2.216 4.788 0.196 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.099 5.707 1.200 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.371 4.000 0.505 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.111 5.537 2.113 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.905 4.497 1.709 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.006 2.924 -0.121 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.043 3.953 2.299 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.135 2.385 0.466 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.645 2.900 1.665 1.00 0.00 C ATOM 0 H TRP A 55 -0.622 6.827 -2.405 1.00 0.00 H new ATOM 0 HA TRP A 55 0.243 5.586 0.142 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.864 4.905 -1.893 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.036 3.584 -1.092 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.325 6.457 1.266 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.249 6.095 2.956 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.622 2.521 -1.046 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.437 4.348 3.224 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.633 1.552 -0.008 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.530 2.458 2.097 1.00 0.00 H new ATOM 866 N ARG A 56 1.941 4.090 -0.908 1.00 0.00 N ATOM 867 CA ARG A 56 3.072 3.386 -1.501 1.00 0.00 C ATOM 868 C ARG A 56 2.678 1.970 -1.908 1.00 0.00 C ATOM 869 O ARG A 56 2.393 1.125 -1.058 1.00 0.00 O ATOM 870 CB ARG A 56 4.243 3.340 -0.518 1.00 0.00 C ATOM 871 CG ARG A 56 5.600 3.218 -1.192 1.00 0.00 C ATOM 872 CD ARG A 56 6.726 3.161 -0.171 1.00 0.00 C ATOM 873 NE ARG A 56 7.952 2.607 -0.739 1.00 0.00 N ATOM 874 CZ ARG A 56 8.831 3.324 -1.429 1.00 0.00 C ATOM 875 NH1 ARG A 56 8.621 4.617 -1.636 1.00 0.00 N ATOM 876 NH2 ARG A 56 9.924 2.749 -1.915 1.00 0.00 N ATOM 0 H ARG A 56 1.866 3.991 0.104 1.00 0.00 H new ATOM 0 HA ARG A 56 3.379 3.929 -2.395 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.230 4.243 0.092 1.00 0.00 H new ATOM 0 HB3 ARG A 56 4.106 2.496 0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.621 2.320 -1.809 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.754 4.067 -1.858 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.923 4.164 0.208 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.414 2.555 0.679 1.00 0.00 H new ATOM 0 HE ARG A 56 8.143 1.615 -0.598 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.782 5.063 -1.265 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.298 5.165 -2.166 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.090 1.755 -1.759 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.598 3.301 -2.445 1.00 0.00 H new ATOM 890 N VAL A 57 2.664 1.716 -3.213 1.00 0.00 N ATOM 891 CA VAL A 57 2.306 0.402 -3.732 1.00 0.00 C ATOM 892 C VAL A 57 3.365 -0.113 -4.701 1.00 0.00 C ATOM 893 O VAL A 57 4.299 0.606 -5.053 1.00 0.00 O ATOM 894 CB VAL A 57 0.943 0.434 -4.449 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.096 1.136 -3.588 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.070 1.112 -5.804 1.00 0.00 C ATOM 0 H VAL A 57 2.897 2.403 -3.930 1.00 0.00 H new ATOM 0 HA VAL A 57 2.243 -0.270 -2.876 1.00 0.00 H new ATOM 0 HB VAL A 57 0.613 -0.592 -4.611 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.053 1.149 -4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.206 0.603 -2.643 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.225 2.159 -3.392 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.098 1.126 -6.297 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.422 2.134 -5.668 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.781 0.562 -6.421 1.00 0.00 H new ATOM 906 N GLN A 58 3.211 -1.363 -5.128 1.00 0.00 N ATOM 907 CA GLN A 58 4.154 -1.974 -6.056 1.00 0.00 C ATOM 908 C GLN A 58 3.421 -2.695 -7.182 1.00 0.00 C ATOM 909 O GLN A 58 2.387 -3.326 -6.959 1.00 0.00 O ATOM 910 CB GLN A 58 5.067 -2.954 -5.317 1.00 0.00 C ATOM 911 CG GLN A 58 5.958 -3.769 -6.239 1.00 0.00 C ATOM 912 CD GLN A 58 6.809 -4.776 -5.490 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.481 -5.961 -5.431 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.909 -4.308 -4.912 1.00 0.00 N ATOM 0 H GLN A 58 2.442 -1.971 -4.846 1.00 0.00 H new ATOM 0 HA GLN A 58 4.761 -1.180 -6.492 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.693 -2.398 -4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.454 -3.633 -4.725 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.338 -4.293 -6.967 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.607 -3.096 -6.799 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.142 -3.318 -4.986 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.521 -4.939 -4.394 1.00 0.00 H new ATOM 923 N ASP A 59 3.961 -2.596 -8.392 1.00 0.00 N ATOM 924 CA ASP A 59 3.358 -3.239 -9.553 1.00 0.00 C ATOM 925 C ASP A 59 3.666 -4.733 -9.568 1.00 0.00 C ATOM 926 O ASP A 59 4.429 -5.228 -8.738 1.00 0.00 O ATOM 927 CB ASP A 59 3.862 -2.589 -10.842 1.00 0.00 C ATOM 928 CG ASP A 59 3.072 -3.027 -12.060 1.00 0.00 C ATOM 929 OD1 ASP A 59 3.356 -4.121 -12.590 1.00 0.00 O ATOM 930 OD2 ASP A 59 2.168 -2.275 -12.481 1.00 0.00 O ATOM 0 H ASP A 59 4.815 -2.076 -8.594 1.00 0.00 H new ATOM 0 HA ASP A 59 2.278 -3.110 -9.489 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.803 -1.505 -10.745 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.913 -2.840 -10.985 1.00 0.00 H new ATOM 935 N ARG A 60 3.066 -5.446 -10.516 1.00 0.00 N ATOM 936 CA ARG A 60 3.275 -6.884 -10.637 1.00 0.00 C ATOM 937 C ARG A 60 4.671 -7.188 -11.172 1.00 0.00 C ATOM 938 O ARG A 60 5.190 -8.289 -10.993 1.00 0.00 O ATOM 939 CB ARG A 60 2.220 -7.498 -11.559 1.00 0.00 C ATOM 940 CG ARG A 60 2.159 -6.850 -12.932 1.00 0.00 C ATOM 941 CD ARG A 60 1.440 -7.738 -13.936 1.00 0.00 C ATOM 942 NE ARG A 60 1.733 -7.356 -15.314 1.00 0.00 N ATOM 943 CZ ARG A 60 1.614 -8.182 -16.348 1.00 0.00 C ATOM 944 NH1 ARG A 60 1.210 -9.430 -16.159 1.00 0.00 N ATOM 945 NH2 ARG A 60 1.900 -7.760 -17.573 1.00 0.00 N ATOM 0 H ARG A 60 2.432 -5.052 -11.211 1.00 0.00 H new ATOM 0 HA ARG A 60 3.181 -7.324 -9.644 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.428 -8.561 -11.678 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.242 -7.415 -11.084 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.646 -5.891 -12.860 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.170 -6.645 -13.284 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.734 -8.776 -13.777 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.365 -7.681 -13.765 1.00 0.00 H new ATOM 0 HE ARG A 60 2.046 -6.402 -15.493 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.990 -9.758 -15.219 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.119 -10.063 -16.954 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.212 -6.800 -17.722 1.00 0.00 H new ATOM 0 HH22 ARG A 60 1.808 -8.395 -18.366 1.00 0.00 H new ATOM 959 N ASN A 61 5.274 -6.203 -11.831 1.00 0.00 N ATOM 960 CA ASN A 61 6.610 -6.365 -12.393 1.00 0.00 C ATOM 961 C ASN A 61 7.679 -5.963 -11.382 1.00 0.00 C ATOM 962 O ASN A 61 8.713 -6.618 -11.262 1.00 0.00 O ATOM 963 CB ASN A 61 6.755 -5.528 -13.666 1.00 0.00 C ATOM 964 CG ASN A 61 6.254 -6.256 -14.898 1.00 0.00 C ATOM 965 OD1 ASN A 61 6.126 -7.481 -14.899 1.00 0.00 O ATOM 966 ND2 ASN A 61 5.967 -5.504 -15.954 1.00 0.00 N ATOM 0 H ASN A 61 4.859 -5.285 -11.989 1.00 0.00 H new ATOM 0 HA ASN A 61 6.748 -7.418 -12.640 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.203 -4.595 -13.549 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.803 -5.263 -13.805 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.625 -5.938 -16.811 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.088 -4.492 -15.908 1.00 0.00 H new ATOM 973 N GLY A 62 7.420 -4.880 -10.654 1.00 0.00 N ATOM 974 CA GLY A 62 8.368 -4.409 -9.662 1.00 0.00 C ATOM 975 C GLY A 62 8.564 -2.907 -9.714 1.00 0.00 C ATOM 976 O GLY A 62 9.690 -2.416 -9.619 1.00 0.00 O ATOM 0 H GLY A 62 6.571 -4.321 -10.734 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.021 -4.693 -8.669 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.327 -4.903 -9.817 1.00 0.00 H new ATOM 980 N HIS A 63 7.466 -2.173 -9.868 1.00 0.00 N ATOM 981 CA HIS A 63 7.522 -0.717 -9.933 1.00 0.00 C ATOM 982 C HIS A 63 6.708 -0.090 -8.806 1.00 0.00 C ATOM 983 O HIS A 63 5.480 -0.175 -8.794 1.00 0.00 O ATOM 984 CB HIS A 63 7.005 -0.227 -11.286 1.00 0.00 C ATOM 985 CG HIS A 63 7.487 -1.044 -12.444 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.770 -1.191 -13.613 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.624 -1.760 -12.610 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.443 -1.963 -14.446 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.573 -2.322 -13.862 1.00 0.00 N ATOM 0 H HIS A 63 6.527 -2.563 -9.950 1.00 0.00 H new ATOM 0 HA HIS A 63 8.562 -0.412 -9.817 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.915 -0.237 -11.274 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.313 0.809 -11.430 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.423 -1.869 -11.891 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.124 -2.252 -15.437 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.290 -2.919 -14.274 1.00 0.00 H new ATOM 998 N GLU A 64 7.400 0.537 -7.860 1.00 0.00 N ATOM 999 CA GLU A 64 6.739 1.176 -6.728 1.00 0.00 C ATOM 1000 C GLU A 64 6.823 2.696 -6.837 1.00 0.00 C ATOM 1001 O GLU A 64 7.568 3.231 -7.657 1.00 0.00 O ATOM 1002 CB GLU A 64 7.370 0.713 -5.413 1.00 0.00 C ATOM 1003 CG GLU A 64 7.673 -0.776 -5.375 1.00 0.00 C ATOM 1004 CD GLU A 64 8.991 -1.120 -6.043 1.00 0.00 C ATOM 1005 OE1 GLU A 64 10.036 -0.607 -5.592 1.00 0.00 O ATOM 1006 OE2 GLU A 64 8.976 -1.902 -7.016 1.00 0.00 O ATOM 0 H GLU A 64 8.417 0.616 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 64 5.689 0.885 -6.741 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.294 1.268 -5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.698 0.960 -4.591 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.697 -1.112 -4.338 1.00 0.00 H new ATOM 0 HG3 GLU A 64 6.867 -1.320 -5.868 1.00 0.00 H new ATOM 1013 N GLY A 65 6.051 3.387 -6.002 1.00 0.00 N ATOM 1014 CA GLY A 65 6.052 4.838 -6.021 1.00 0.00 C ATOM 1015 C GLY A 65 4.833 5.426 -5.339 1.00 0.00 C ATOM 1016 O GLY A 65 4.034 4.702 -4.745 1.00 0.00 O ATOM 0 H GLY A 65 5.426 2.968 -5.314 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.953 5.204 -5.528 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.090 5.185 -7.054 1.00 0.00 H new ATOM 1020 N TYR A 66 4.688 6.744 -5.423 1.00 0.00 N ATOM 1021 CA TYR A 66 3.560 7.431 -4.806 1.00 0.00 C ATOM 1022 C TYR A 66 2.417 7.604 -5.802 1.00 0.00 C ATOM 1023 O TYR A 66 2.609 8.125 -6.901 1.00 0.00 O ATOM 1024 CB TYR A 66 3.997 8.796 -4.271 1.00 0.00 C ATOM 1025 CG TYR A 66 4.976 8.710 -3.122 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.732 7.879 -2.036 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.144 9.462 -3.122 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.623 7.798 -0.984 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.042 9.387 -2.075 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.777 8.554 -1.008 1.00 0.00 C ATOM 1031 OH TYR A 66 7.667 8.477 0.038 1.00 0.00 O ATOM 0 H TYR A 66 5.338 7.358 -5.913 1.00 0.00 H new ATOM 0 HA TYR A 66 3.205 6.820 -3.976 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.450 9.367 -5.082 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.116 9.349 -3.946 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.830 7.286 -2.014 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.354 10.117 -3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.418 7.147 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.946 9.977 -2.092 1.00 0.00 H new ATOM 0 HH TYR A 66 8.427 9.071 -0.135 1.00 0.00 H new ATOM 1041 N VAL A 67 1.226 7.164 -5.409 1.00 0.00 N ATOM 1042 CA VAL A 67 0.051 7.271 -6.265 1.00 0.00 C ATOM 1043 C VAL A 67 -1.146 7.810 -5.489 1.00 0.00 C ATOM 1044 O VAL A 67 -1.243 7.669 -4.270 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.322 5.909 -6.880 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.630 5.557 -8.013 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.320 4.825 -5.813 1.00 0.00 C ATOM 0 H VAL A 67 1.050 6.730 -4.503 1.00 0.00 H new ATOM 0 HA VAL A 67 0.305 7.965 -7.066 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.329 5.978 -7.292 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.351 4.592 -8.436 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.573 6.322 -8.787 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.649 5.505 -7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.586 3.869 -6.265 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.673 4.753 -5.369 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.046 5.075 -5.039 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.082 8.444 -6.211 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.291 9.017 -5.612 1.00 0.00 C ATOM 1059 C PRO A 68 -4.257 7.945 -5.119 1.00 0.00 C ATOM 1060 O PRO A 68 -4.952 7.310 -5.912 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.915 9.811 -6.762 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.413 9.147 -7.997 1.00 0.00 C ATOM 1063 CD PRO A 68 -2.032 8.650 -7.668 1.00 0.00 C ATOM 0 HA PRO A 68 -3.064 9.621 -4.733 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.004 9.787 -6.714 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.617 10.859 -6.727 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.065 8.324 -8.290 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.387 9.846 -8.833 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.801 7.725 -8.197 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.267 9.375 -7.945 1.00 0.00 H new ATOM 1071 N SER A 69 -4.297 7.750 -3.805 1.00 0.00 N ATOM 1072 CA SER A 69 -5.176 6.753 -3.206 1.00 0.00 C ATOM 1073 C SER A 69 -6.539 6.749 -3.892 1.00 0.00 C ATOM 1074 O SER A 69 -7.204 5.716 -3.969 1.00 0.00 O ATOM 1075 CB SER A 69 -5.346 7.024 -1.710 1.00 0.00 C ATOM 1076 OG SER A 69 -6.278 8.067 -1.484 1.00 0.00 O ATOM 0 H SER A 69 -3.731 8.270 -3.135 1.00 0.00 H new ATOM 0 HA SER A 69 -4.718 5.773 -3.340 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.682 6.116 -1.209 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.383 7.291 -1.274 1.00 0.00 H new ATOM 0 HG SER A 69 -6.370 8.220 -0.520 1.00 0.00 H new ATOM 1082 N SER A 70 -6.948 7.912 -4.388 1.00 0.00 N ATOM 1083 CA SER A 70 -8.234 8.045 -5.064 1.00 0.00 C ATOM 1084 C SER A 70 -8.385 6.990 -6.156 1.00 0.00 C ATOM 1085 O SER A 70 -9.423 6.336 -6.265 1.00 0.00 O ATOM 1086 CB SER A 70 -8.374 9.443 -5.668 1.00 0.00 C ATOM 1087 OG SER A 70 -9.670 9.639 -6.206 1.00 0.00 O ATOM 0 H SER A 70 -6.408 8.776 -4.335 1.00 0.00 H new ATOM 0 HA SER A 70 -9.022 7.895 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.177 10.194 -4.903 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.628 9.581 -6.450 1.00 0.00 H new ATOM 0 HG SER A 70 -9.734 10.541 -6.585 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.342 6.830 -6.963 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.358 5.856 -8.049 1.00 0.00 C ATOM 1095 C TYR A 71 -7.403 4.432 -7.504 1.00 0.00 C ATOM 1096 O TYR A 71 -8.124 3.579 -8.022 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.127 6.034 -8.940 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.224 7.217 -9.877 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.717 8.439 -9.437 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.825 7.112 -11.204 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.808 9.522 -10.290 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.911 8.189 -12.063 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.403 9.392 -11.602 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.492 10.468 -12.455 1.00 0.00 O ATOM 0 H TYR A 71 -6.475 7.362 -6.886 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.256 6.027 -8.642 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.246 6.152 -8.309 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.979 5.127 -9.527 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -7.035 8.544 -8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.441 6.171 -11.570 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.194 10.465 -9.932 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.595 8.090 -13.091 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.165 10.210 -13.342 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.628 4.183 -6.454 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.579 2.863 -5.835 1.00 0.00 C ATOM 1116 C LEU A 72 -7.895 2.540 -5.136 1.00 0.00 C ATOM 1117 O LEU A 72 -8.529 3.416 -4.548 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.425 2.790 -4.834 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.036 3.114 -5.386 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -3.038 3.288 -4.251 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.575 2.025 -6.343 1.00 0.00 C ATOM 0 H LEU A 72 -6.025 4.878 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.417 2.126 -6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.637 3.476 -4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.401 1.786 -4.411 1.00 0.00 H new ATOM 0 HG LEU A 72 -4.095 4.052 -5.937 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.055 3.518 -4.663 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.361 4.104 -3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.982 2.367 -3.671 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.585 2.272 -6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.533 1.072 -5.816 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.277 1.950 -7.174 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.300 1.275 -5.201 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.539 0.835 -4.571 1.00 0.00 C ATOM 1135 C VAL A 73 -9.356 -0.513 -3.883 1.00 0.00 C ATOM 1136 O VAL A 73 -8.618 -1.371 -4.364 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.682 0.725 -5.598 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.634 1.887 -6.578 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.611 -0.606 -6.332 1.00 0.00 C ATOM 0 H VAL A 73 -7.788 0.537 -5.684 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.801 1.587 -3.827 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.632 0.770 -5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.449 1.792 -7.295 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.737 2.826 -6.034 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.681 1.877 -7.108 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.426 -0.667 -7.054 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.657 -0.683 -6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.699 -1.422 -5.615 1.00 0.00 H new ATOM 1149 N GLU A 74 -10.035 -0.692 -2.754 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.948 -1.936 -2.000 1.00 0.00 C ATOM 1151 C GLU A 74 -10.756 -3.040 -2.675 1.00 0.00 C ATOM 1152 O GLU A 74 -11.980 -2.955 -2.778 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.446 -1.727 -0.568 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.776 -2.636 0.449 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.665 -2.933 1.640 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -11.722 -3.571 1.449 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.304 -2.528 2.765 1.00 0.00 O ATOM 0 H GLU A 74 -10.651 0.009 -2.342 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.902 -2.241 -1.972 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.277 -0.689 -0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.523 -1.895 -0.539 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.497 -3.572 -0.034 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.854 -2.170 0.796 1.00 0.00 H new ATOM 1164 N LYS A 75 -10.063 -4.076 -3.134 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.714 -5.198 -3.800 1.00 0.00 C ATOM 1166 C LYS A 75 -11.998 -5.590 -3.075 1.00 0.00 C ATOM 1167 O LYS A 75 -11.959 -6.239 -2.029 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.767 -6.398 -3.865 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.345 -7.590 -4.609 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.069 -7.503 -6.101 1.00 0.00 C ATOM 1171 CE LYS A 75 -10.161 -8.868 -6.765 1.00 0.00 C ATOM 1172 NZ LYS A 75 -10.327 -8.757 -8.241 1.00 0.00 N ATOM 0 H LYS A 75 -9.050 -4.162 -3.057 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.969 -4.888 -4.813 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.840 -6.093 -4.350 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.511 -6.703 -2.850 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.917 -8.510 -4.212 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.421 -7.639 -4.439 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.783 -6.823 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.076 -7.084 -6.265 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.261 -9.441 -6.543 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.002 -9.420 -6.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.386 -9.709 -8.656 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.199 -8.232 -8.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.512 -8.253 -8.645 1.00 0.00 H new