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 25:sc= 0.0489 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= -7.16! C(o=-7.2!,f=-5.7!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc=-0.00916 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.284 X(o=-0.28,f=-0.15) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.0891 K(o=-0.089,f=-2.5) USER MOD Single : A 63 HIS : no HD1:sc= -0.648 X(o=-0.65,f=-0.17) USER MOD Single : A 66 TYR OH : rot 180:sc= 0.0345 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+ 173:sc= 0 (180deg=-0.027) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -3.105 -7.171 1.230 1.00 0.00 N ATOM 272 CA THR A 20 -4.104 -6.224 0.752 1.00 0.00 C ATOM 273 C THR A 20 -3.810 -5.790 -0.679 1.00 0.00 C ATOM 274 O THR A 20 -2.822 -5.103 -0.941 1.00 0.00 O ATOM 275 CB THR A 20 -4.168 -4.975 1.652 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.504 -5.353 2.991 1.00 0.00 O ATOM 277 CG2 THR A 20 -5.195 -3.982 1.127 1.00 0.00 C ATOM 0 HA THR A 20 -5.066 -6.736 0.783 1.00 0.00 H new ATOM 0 HB THR A 20 -3.188 -4.498 1.645 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.234 -6.282 3.146 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.223 -3.108 1.778 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.921 -3.674 0.118 1.00 0.00 H new ATOM 0 HG23 THR A 20 -6.178 -4.452 1.108 1.00 0.00 H new ATOM 285 N VAL A 21 -4.675 -6.194 -1.605 1.00 0.00 N ATOM 286 CA VAL A 21 -4.509 -5.845 -3.011 1.00 0.00 C ATOM 287 C VAL A 21 -5.535 -4.804 -3.443 1.00 0.00 C ATOM 288 O VAL A 21 -6.727 -4.942 -3.171 1.00 0.00 O ATOM 289 CB VAL A 21 -4.638 -7.085 -3.915 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.534 -6.690 -5.381 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.582 -8.119 -3.557 1.00 0.00 C ATOM 0 H VAL A 21 -5.498 -6.763 -1.406 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.507 -5.429 -3.119 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.619 -7.531 -3.752 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.627 -7.579 -6.005 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.332 -5.989 -5.626 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.568 -6.219 -5.563 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.689 -8.988 -4.206 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.590 -7.687 -3.689 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.709 -8.424 -2.518 1.00 0.00 H new ATOM 301 N VAL A 22 -5.063 -3.762 -4.120 1.00 0.00 N ATOM 302 CA VAL A 22 -5.939 -2.697 -4.592 1.00 0.00 C ATOM 303 C VAL A 22 -5.987 -2.660 -6.116 1.00 0.00 C ATOM 304 O VAL A 22 -5.224 -3.354 -6.787 1.00 0.00 O ATOM 305 CB VAL A 22 -5.483 -1.321 -4.070 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.843 -1.162 -2.601 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.988 -1.139 -4.284 1.00 0.00 C ATOM 0 H VAL A 22 -4.079 -3.633 -4.354 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.935 -2.912 -4.205 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.004 -0.547 -4.633 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.513 -0.184 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.923 -1.246 -2.480 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.351 -1.942 -2.019 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.683 -0.162 -3.910 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.446 -1.918 -3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.762 -1.206 -5.348 1.00 0.00 H new ATOM 317 N ILE A 23 -6.888 -1.845 -6.654 1.00 0.00 N ATOM 318 CA ILE A 23 -7.034 -1.716 -8.099 1.00 0.00 C ATOM 319 C ILE A 23 -7.141 -0.252 -8.512 1.00 0.00 C ATOM 320 O ILE A 23 -7.677 0.574 -7.774 1.00 0.00 O ATOM 321 CB ILE A 23 -8.274 -2.473 -8.609 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.301 -3.893 -8.040 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.286 -2.506 -10.130 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.694 -4.470 -7.921 1.00 0.00 C ATOM 0 H ILE A 23 -7.528 -1.264 -6.112 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.142 -2.153 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.167 -1.948 -8.269 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.701 -4.542 -8.677 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.832 -3.890 -7.056 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.169 -3.045 -10.475 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.309 -1.487 -10.516 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.389 -3.010 -10.490 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.636 -5.478 -7.511 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.292 -3.843 -7.260 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.159 -4.505 -8.906 1.00 0.00 H new ATOM 336 N ALA A 24 -6.627 0.061 -9.697 1.00 0.00 N ATOM 337 CA ALA A 24 -6.668 1.425 -10.211 1.00 0.00 C ATOM 338 C ALA A 24 -7.933 1.666 -11.029 1.00 0.00 C ATOM 339 O ALA A 24 -8.366 0.800 -11.791 1.00 0.00 O ATOM 340 CB ALA A 24 -5.432 1.710 -11.051 1.00 0.00 C ATOM 0 H ALA A 24 -6.178 -0.611 -10.319 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.681 2.107 -9.361 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.476 2.732 -11.428 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.539 1.588 -10.438 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.394 1.015 -11.890 1.00 0.00 H new ATOM 346 N LEU A 25 -8.521 2.845 -10.866 1.00 0.00 N ATOM 347 CA LEU A 25 -9.738 3.200 -11.589 1.00 0.00 C ATOM 348 C LEU A 25 -9.405 3.884 -12.911 1.00 0.00 C ATOM 349 O LEU A 25 -10.145 3.763 -13.888 1.00 0.00 O ATOM 350 CB LEU A 25 -10.614 4.116 -10.734 1.00 0.00 C ATOM 351 CG LEU A 25 -10.923 3.622 -9.320 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.188 4.795 -8.390 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.112 2.672 -9.336 1.00 0.00 C ATOM 0 H LEU A 25 -8.175 3.572 -10.240 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.285 2.282 -11.803 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.125 5.087 -10.659 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.558 4.274 -11.256 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.054 3.080 -8.947 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.406 4.423 -7.389 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.308 5.438 -8.355 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.040 5.366 -8.758 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.318 2.330 -8.322 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -12.987 3.190 -9.729 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.884 1.814 -9.969 1.00 0.00 H new ATOM 365 N TYR A 26 -8.287 4.602 -12.935 1.00 0.00 N ATOM 366 CA TYR A 26 -7.856 5.306 -14.137 1.00 0.00 C ATOM 367 C TYR A 26 -6.379 5.050 -14.418 1.00 0.00 C ATOM 368 O TYR A 26 -5.595 4.802 -13.502 1.00 0.00 O ATOM 369 CB TYR A 26 -8.107 6.808 -13.991 1.00 0.00 C ATOM 370 CG TYR A 26 -9.402 7.140 -13.286 1.00 0.00 C ATOM 371 CD1 TYR A 26 -9.464 7.212 -11.900 1.00 0.00 C ATOM 372 CD2 TYR A 26 -10.565 7.383 -14.007 1.00 0.00 C ATOM 373 CE1 TYR A 26 -10.645 7.515 -11.252 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.751 7.687 -13.367 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.786 7.752 -11.990 1.00 0.00 C ATOM 376 OH TYR A 26 -12.965 8.055 -11.348 1.00 0.00 O ATOM 0 H TYR A 26 -7.663 4.712 -12.136 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.438 4.928 -14.978 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.279 7.254 -13.441 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.115 7.264 -14.981 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.572 7.028 -11.319 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -10.541 7.333 -15.086 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.675 7.566 -10.174 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -12.646 7.873 -13.942 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.672 8.195 -12.012 1.00 0.00 H new ATOM 386 N ASP A 27 -6.006 5.113 -15.692 1.00 0.00 N ATOM 387 CA ASP A 27 -4.623 4.890 -16.096 1.00 0.00 C ATOM 388 C ASP A 27 -3.752 6.090 -15.737 1.00 0.00 C ATOM 389 O ASP A 27 -3.649 7.046 -16.505 1.00 0.00 O ATOM 390 CB ASP A 27 -4.545 4.619 -17.599 1.00 0.00 C ATOM 391 CG ASP A 27 -5.571 5.413 -18.384 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.732 4.962 -18.468 1.00 0.00 O ATOM 393 OD2 ASP A 27 -5.212 6.485 -18.915 1.00 0.00 O ATOM 0 H ASP A 27 -6.643 5.317 -16.462 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.250 4.019 -15.558 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.546 4.866 -17.958 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.696 3.555 -17.782 1.00 0.00 H new ATOM 398 N TYR A 28 -3.129 6.033 -14.565 1.00 0.00 N ATOM 399 CA TYR A 28 -2.270 7.117 -14.103 1.00 0.00 C ATOM 400 C TYR A 28 -0.912 7.069 -14.797 1.00 0.00 C ATOM 401 O TYR A 28 -0.480 6.017 -15.267 1.00 0.00 O ATOM 402 CB TYR A 28 -2.083 7.037 -12.587 1.00 0.00 C ATOM 403 CG TYR A 28 -1.422 8.260 -11.993 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.129 9.445 -11.827 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.091 8.230 -11.597 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.528 10.565 -11.285 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.518 9.345 -11.053 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.205 10.510 -10.900 1.00 0.00 C ATOM 409 OH TYR A 28 0.397 11.623 -10.358 1.00 0.00 O ATOM 0 H TYR A 28 -3.203 5.248 -13.918 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.753 8.061 -14.354 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.056 6.896 -12.116 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.483 6.159 -12.349 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.166 9.491 -12.127 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.478 7.320 -11.716 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.091 11.478 -11.164 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.554 9.305 -10.749 1.00 0.00 H new ATOM 0 HH TYR A 28 1.330 11.417 -10.139 1.00 0.00 H new ATOM 507 N GLU A 35 7.442 8.768 -8.011 1.00 0.00 N ATOM 508 CA GLU A 35 6.063 8.393 -8.301 1.00 0.00 C ATOM 509 C GLU A 35 6.011 7.135 -9.163 1.00 0.00 C ATOM 510 O GLU A 35 7.035 6.670 -9.665 1.00 0.00 O ATOM 511 CB GLU A 35 5.338 9.540 -9.008 1.00 0.00 C ATOM 512 CG GLU A 35 5.236 10.804 -8.171 1.00 0.00 C ATOM 513 CD GLU A 35 4.912 12.030 -9.003 1.00 0.00 C ATOM 514 OE1 GLU A 35 3.785 12.106 -9.535 1.00 0.00 O ATOM 515 OE2 GLU A 35 5.787 12.914 -9.122 1.00 0.00 O ATOM 0 HA GLU A 35 5.563 8.185 -7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.860 9.771 -9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.335 9.212 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.466 10.671 -7.411 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.177 10.964 -7.646 1.00 0.00 H new ATOM 522 N LEU A 36 4.811 6.589 -9.329 1.00 0.00 N ATOM 523 CA LEU A 36 4.624 5.384 -10.130 1.00 0.00 C ATOM 524 C LEU A 36 3.452 5.547 -11.092 1.00 0.00 C ATOM 525 O LEU A 36 2.510 6.291 -10.820 1.00 0.00 O ATOM 526 CB LEU A 36 4.389 4.176 -9.221 1.00 0.00 C ATOM 527 CG LEU A 36 4.175 2.837 -9.928 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.496 2.288 -10.443 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.510 1.839 -8.990 1.00 0.00 C ATOM 0 H LEU A 36 3.954 6.961 -8.920 1.00 0.00 H new ATOM 0 HA LEU A 36 5.530 5.221 -10.714 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.244 4.078 -8.551 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.518 4.379 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 36 3.516 3.000 -10.781 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.324 1.335 -10.943 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.933 2.994 -11.149 1.00 0.00 H new ATOM 0 HD13 LEU A 36 6.180 2.141 -9.607 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.365 0.892 -9.510 1.00 0.00 H new ATOM 0 HD22 LEU A 36 4.144 1.681 -8.118 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.544 2.229 -8.670 1.00 0.00 H new ATOM 541 N ALA A 37 3.516 4.844 -12.218 1.00 0.00 N ATOM 542 CA ALA A 37 2.458 4.907 -13.219 1.00 0.00 C ATOM 543 C ALA A 37 1.485 3.743 -13.064 1.00 0.00 C ATOM 544 O ALA A 37 1.789 2.611 -13.440 1.00 0.00 O ATOM 545 CB ALA A 37 3.055 4.914 -14.619 1.00 0.00 C ATOM 0 H ALA A 37 4.289 4.224 -12.460 1.00 0.00 H new ATOM 0 HA ALA A 37 1.904 5.833 -13.067 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.253 4.961 -15.356 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.705 5.782 -14.733 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.635 4.004 -14.772 1.00 0.00 H new ATOM 551 N LEU A 38 0.313 4.029 -12.506 1.00 0.00 N ATOM 552 CA LEU A 38 -0.706 3.005 -12.300 1.00 0.00 C ATOM 553 C LEU A 38 -1.306 2.559 -13.629 1.00 0.00 C ATOM 554 O LEU A 38 -1.071 3.178 -14.667 1.00 0.00 O ATOM 555 CB LEU A 38 -1.809 3.533 -11.381 1.00 0.00 C ATOM 556 CG LEU A 38 -1.374 3.930 -9.970 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.567 4.410 -9.159 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.689 2.762 -9.275 1.00 0.00 C ATOM 0 H LEU A 38 0.045 4.961 -12.188 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.231 2.144 -11.830 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.266 4.401 -11.856 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.583 2.770 -11.300 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.660 4.750 -10.048 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.238 4.688 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.014 5.276 -9.648 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.305 3.611 -9.090 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.386 3.062 -8.272 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.380 1.922 -9.209 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.191 2.464 -9.846 1.00 0.00 H new ATOM 570 N ARG A 39 -2.084 1.482 -13.590 1.00 0.00 N ATOM 571 CA ARG A 39 -2.719 0.953 -14.791 1.00 0.00 C ATOM 572 C ARG A 39 -4.192 0.646 -14.536 1.00 0.00 C ATOM 573 O ARG A 39 -4.548 0.078 -13.504 1.00 0.00 O ATOM 574 CB ARG A 39 -1.997 -0.311 -15.261 1.00 0.00 C ATOM 575 CG ARG A 39 -2.403 -0.761 -16.655 1.00 0.00 C ATOM 576 CD ARG A 39 -1.699 0.052 -17.730 1.00 0.00 C ATOM 577 NE ARG A 39 -0.383 -0.491 -18.054 1.00 0.00 N ATOM 578 CZ ARG A 39 -0.197 -1.674 -18.629 1.00 0.00 C ATOM 579 NH1 ARG A 39 -1.238 -2.433 -18.943 1.00 0.00 N ATOM 580 NH2 ARG A 39 1.032 -2.099 -18.893 1.00 0.00 N ATOM 0 H ARG A 39 -2.290 0.959 -12.739 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.653 1.711 -15.571 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.922 -0.133 -15.245 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.197 -1.117 -14.555 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.165 -1.817 -16.781 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.482 -0.662 -16.771 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.314 0.073 -18.630 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.593 1.083 -17.393 1.00 0.00 H new ATOM 0 HE ARG A 39 0.439 0.069 -17.826 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.184 -2.109 -18.743 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -1.092 -3.341 -19.384 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.835 -1.517 -18.654 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.174 -3.008 -19.335 1.00 0.00 H new ATOM 594 N ARG A 40 -5.042 1.025 -15.485 1.00 0.00 N ATOM 595 CA ARG A 40 -6.476 0.791 -15.363 1.00 0.00 C ATOM 596 C ARG A 40 -6.781 -0.703 -15.305 1.00 0.00 C ATOM 597 O ARG A 40 -6.081 -1.513 -15.911 1.00 0.00 O ATOM 598 CB ARG A 40 -7.220 1.429 -16.537 1.00 0.00 C ATOM 599 CG ARG A 40 -8.732 1.399 -16.389 1.00 0.00 C ATOM 600 CD ARG A 40 -9.406 2.364 -17.353 1.00 0.00 C ATOM 601 NE ARG A 40 -10.776 1.963 -17.660 1.00 0.00 N ATOM 602 CZ ARG A 40 -11.669 2.768 -18.225 1.00 0.00 C ATOM 603 NH1 ARG A 40 -11.336 4.012 -18.543 1.00 0.00 N ATOM 604 NH2 ARG A 40 -12.896 2.330 -18.473 1.00 0.00 N ATOM 0 H ARG A 40 -4.763 1.495 -16.346 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.815 1.249 -14.434 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.894 2.464 -16.643 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.943 0.912 -17.456 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -9.096 0.388 -16.571 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -9.004 1.657 -15.365 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.409 3.365 -16.921 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.828 2.417 -18.276 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.063 1.012 -17.428 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -10.393 4.352 -18.354 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.023 4.629 -18.977 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.155 1.374 -18.230 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.581 2.949 -18.907 1.00 0.00 H new ATOM 618 N ASN A 41 -7.829 -1.060 -14.571 1.00 0.00 N ATOM 619 CA ASN A 41 -8.226 -2.457 -14.433 1.00 0.00 C ATOM 620 C ASN A 41 -7.018 -3.338 -14.130 1.00 0.00 C ATOM 621 O ASN A 41 -6.786 -4.342 -14.802 1.00 0.00 O ATOM 622 CB ASN A 41 -8.917 -2.941 -15.709 1.00 0.00 C ATOM 623 CG ASN A 41 -7.959 -3.051 -16.880 1.00 0.00 C ATOM 624 OD1 ASN A 41 -7.375 -4.108 -17.121 1.00 0.00 O ATOM 625 ND2 ASN A 41 -7.792 -1.956 -17.613 1.00 0.00 N ATOM 0 H ASN A 41 -8.419 -0.402 -14.062 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.925 -2.530 -13.600 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.374 -3.913 -15.525 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.723 -2.253 -15.966 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.159 -1.969 -18.413 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.297 -1.102 -17.376 1.00 0.00 H new ATOM 632 N GLU A 42 -6.253 -2.954 -13.113 1.00 0.00 N ATOM 633 CA GLU A 42 -5.069 -3.709 -12.721 1.00 0.00 C ATOM 634 C GLU A 42 -4.908 -3.722 -11.204 1.00 0.00 C ATOM 635 O GLU A 42 -5.191 -2.730 -10.532 1.00 0.00 O ATOM 636 CB GLU A 42 -3.818 -3.114 -13.372 1.00 0.00 C ATOM 637 CG GLU A 42 -3.551 -3.642 -14.772 1.00 0.00 C ATOM 638 CD GLU A 42 -2.911 -5.017 -14.765 1.00 0.00 C ATOM 639 OE1 GLU A 42 -1.715 -5.112 -14.419 1.00 0.00 O ATOM 640 OE2 GLU A 42 -3.606 -5.997 -15.104 1.00 0.00 O ATOM 0 H GLU A 42 -6.432 -2.125 -12.546 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.196 -4.736 -13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.922 -2.030 -13.415 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.955 -3.327 -12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.489 -3.685 -15.325 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.901 -2.945 -15.301 1.00 0.00 H new ATOM 647 N GLU A 43 -4.453 -4.852 -10.672 1.00 0.00 N ATOM 648 CA GLU A 43 -4.257 -4.993 -9.234 1.00 0.00 C ATOM 649 C GLU A 43 -2.903 -4.431 -8.811 1.00 0.00 C ATOM 650 O GLU A 43 -1.992 -4.297 -9.629 1.00 0.00 O ATOM 651 CB GLU A 43 -4.361 -6.464 -8.825 1.00 0.00 C ATOM 652 CG GLU A 43 -5.789 -6.976 -8.749 1.00 0.00 C ATOM 653 CD GLU A 43 -5.865 -8.490 -8.697 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.176 -9.145 -9.506 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.613 -9.018 -7.849 1.00 0.00 O ATOM 0 H GLU A 43 -4.214 -5.682 -11.214 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.039 -4.426 -8.729 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.804 -7.071 -9.539 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.884 -6.597 -7.854 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.273 -6.561 -7.865 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.346 -6.618 -9.615 1.00 0.00 H new ATOM 662 N TYR A 44 -2.779 -4.103 -7.530 1.00 0.00 N ATOM 663 CA TYR A 44 -1.538 -3.552 -6.999 1.00 0.00 C ATOM 664 C TYR A 44 -1.416 -3.828 -5.503 1.00 0.00 C ATOM 665 O TYR A 44 -2.358 -3.607 -4.741 1.00 0.00 O ATOM 666 CB TYR A 44 -1.472 -2.046 -7.259 1.00 0.00 C ATOM 667 CG TYR A 44 -1.136 -1.693 -8.690 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.104 -1.745 -9.684 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.151 -1.308 -9.048 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.802 -1.424 -10.994 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.462 -0.983 -10.354 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.518 -1.043 -11.323 1.00 0.00 C ATOM 673 OH TYR A 44 -0.212 -0.722 -12.626 1.00 0.00 O ATOM 0 H TYR A 44 -3.523 -4.209 -6.840 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.706 -4.038 -7.509 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.431 -1.598 -6.999 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.725 -1.604 -6.600 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.111 -2.042 -9.429 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.921 -1.262 -8.292 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.567 -1.471 -11.755 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.466 -0.684 -10.615 1.00 0.00 H new ATOM 0 HH TYR A 44 0.734 -0.474 -12.688 1.00 0.00 H new ATOM 683 N CYS A 45 -0.249 -4.311 -5.091 1.00 0.00 N ATOM 684 CA CYS A 45 -0.002 -4.617 -3.686 1.00 0.00 C ATOM 685 C CYS A 45 0.373 -3.357 -2.913 1.00 0.00 C ATOM 686 O CYS A 45 1.254 -2.601 -3.325 1.00 0.00 O ATOM 687 CB CYS A 45 1.110 -5.659 -3.558 1.00 0.00 C ATOM 688 SG CYS A 45 1.181 -6.469 -1.943 1.00 0.00 S ATOM 0 H CYS A 45 0.540 -4.499 -5.709 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.920 -5.022 -3.261 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.972 -6.418 -4.328 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.068 -5.178 -3.754 1.00 0.00 H new ATOM 0 HG CYS A 45 2.151 -7.334 -1.934 1.00 0.00 H new ATOM 694 N LEU A 46 -0.302 -3.136 -1.790 1.00 0.00 N ATOM 695 CA LEU A 46 -0.041 -1.966 -0.959 1.00 0.00 C ATOM 696 C LEU A 46 1.156 -2.204 -0.044 1.00 0.00 C ATOM 697 O LEU A 46 1.119 -3.069 0.833 1.00 0.00 O ATOM 698 CB LEU A 46 -1.276 -1.624 -0.123 1.00 0.00 C ATOM 699 CG LEU A 46 -1.137 -0.431 0.824 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.818 0.835 0.044 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.406 -0.250 1.643 1.00 0.00 C ATOM 0 H LEU A 46 -1.034 -3.751 -1.434 1.00 0.00 H new ATOM 0 HA LEU A 46 0.189 -1.128 -1.617 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.106 -1.429 -0.801 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.545 -2.501 0.466 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.312 -0.629 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.723 1.673 0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.119 0.702 -0.497 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.621 1.038 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.289 0.603 2.311 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.249 -0.075 0.974 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.591 -1.149 2.231 1.00 0.00 H new ATOM 713 N LEU A 47 2.216 -1.431 -0.252 1.00 0.00 N ATOM 714 CA LEU A 47 3.424 -1.556 0.556 1.00 0.00 C ATOM 715 C LEU A 47 3.256 -0.853 1.899 1.00 0.00 C ATOM 716 O LEU A 47 3.368 -1.476 2.955 1.00 0.00 O ATOM 717 CB LEU A 47 4.624 -0.971 -0.192 1.00 0.00 C ATOM 718 CG LEU A 47 4.998 -1.661 -1.505 1.00 0.00 C ATOM 719 CD1 LEU A 47 6.181 -0.963 -2.156 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.309 -3.131 -1.265 1.00 0.00 C ATOM 0 H LEU A 47 2.264 -0.711 -0.973 1.00 0.00 H new ATOM 0 HA LEU A 47 3.600 -2.616 0.741 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.419 0.079 -0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.489 -1.001 0.470 1.00 0.00 H new ATOM 0 HG LEU A 47 4.147 -1.597 -2.183 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.433 -1.468 -3.089 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.922 0.075 -2.364 1.00 0.00 H new ATOM 0 HD13 LEU A 47 7.038 -0.995 -1.483 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.573 -3.606 -2.210 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.144 -3.217 -0.570 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.433 -3.624 -0.843 1.00 0.00 H new ATOM 732 N ASP A 48 2.985 0.447 1.851 1.00 0.00 N ATOM 733 CA ASP A 48 2.798 1.234 3.065 1.00 0.00 C ATOM 734 C ASP A 48 1.973 2.484 2.779 1.00 0.00 C ATOM 735 O ASP A 48 2.014 3.029 1.676 1.00 0.00 O ATOM 736 CB ASP A 48 4.152 1.626 3.657 1.00 0.00 C ATOM 737 CG ASP A 48 4.971 0.421 4.079 1.00 0.00 C ATOM 738 OD1 ASP A 48 4.727 -0.105 5.185 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.855 0.004 3.302 1.00 0.00 O ATOM 0 H ASP A 48 2.890 0.978 0.985 1.00 0.00 H new ATOM 0 HA ASP A 48 2.258 0.621 3.787 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.713 2.203 2.922 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.994 2.274 4.519 1.00 0.00 H new ATOM 744 N SER A 49 1.222 2.933 3.780 1.00 0.00 N ATOM 745 CA SER A 49 0.383 4.117 3.635 1.00 0.00 C ATOM 746 C SER A 49 0.966 5.295 4.411 1.00 0.00 C ATOM 747 O SER A 49 0.248 6.004 5.115 1.00 0.00 O ATOM 748 CB SER A 49 -1.037 3.824 4.122 1.00 0.00 C ATOM 749 OG SER A 49 -1.063 3.615 5.523 1.00 0.00 O ATOM 0 H SER A 49 1.177 2.495 4.700 1.00 0.00 H new ATOM 0 HA SER A 49 0.350 4.381 2.578 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.692 4.656 3.863 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.425 2.942 3.612 1.00 0.00 H new ATOM 0 HG SER A 49 -1.982 3.431 5.809 1.00 0.00 H new ATOM 755 N SER A 50 2.273 5.496 4.275 1.00 0.00 N ATOM 756 CA SER A 50 2.954 6.585 4.965 1.00 0.00 C ATOM 757 C SER A 50 2.062 7.820 5.045 1.00 0.00 C ATOM 758 O SER A 50 2.031 8.510 6.063 1.00 0.00 O ATOM 759 CB SER A 50 4.262 6.931 4.250 1.00 0.00 C ATOM 760 OG SER A 50 5.196 7.507 5.146 1.00 0.00 O ATOM 0 H SER A 50 2.881 4.919 3.694 1.00 0.00 H new ATOM 0 HA SER A 50 3.179 6.255 5.979 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.687 6.031 3.806 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.061 7.625 3.433 1.00 0.00 H new ATOM 0 HG SER A 50 6.024 7.717 4.665 1.00 0.00 H new ATOM 766 N GLU A 51 1.339 8.091 3.963 1.00 0.00 N ATOM 767 CA GLU A 51 0.447 9.243 3.910 1.00 0.00 C ATOM 768 C GLU A 51 -0.981 8.812 3.588 1.00 0.00 C ATOM 769 O GLU A 51 -1.258 7.624 3.419 1.00 0.00 O ATOM 770 CB GLU A 51 0.936 10.247 2.864 1.00 0.00 C ATOM 771 CG GLU A 51 2.016 11.184 3.378 1.00 0.00 C ATOM 772 CD GLU A 51 1.453 12.334 4.190 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.162 12.127 5.387 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.302 13.439 3.630 1.00 0.00 O ATOM 0 H GLU A 51 1.354 7.529 3.112 1.00 0.00 H new ATOM 0 HA GLU A 51 0.452 9.719 4.891 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.320 9.702 2.001 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.089 10.838 2.516 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.719 10.620 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.579 11.582 2.533 1.00 0.00 H new ATOM 781 N ILE A 52 -1.882 9.784 3.507 1.00 0.00 N ATOM 782 CA ILE A 52 -3.281 9.506 3.205 1.00 0.00 C ATOM 783 C ILE A 52 -3.555 9.623 1.710 1.00 0.00 C ATOM 784 O ILE A 52 -4.017 8.673 1.076 1.00 0.00 O ATOM 785 CB ILE A 52 -4.221 10.460 3.964 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.975 10.362 5.471 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.673 10.144 3.637 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.536 11.530 6.252 1.00 0.00 C ATOM 0 H ILE A 52 -1.669 10.772 3.646 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.476 8.483 3.528 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.011 11.481 3.647 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.419 9.439 5.844 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.902 10.296 5.652 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.325 10.827 4.181 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.838 10.260 2.566 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.897 9.118 3.929 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.325 11.394 7.313 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.074 12.455 5.906 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.614 11.585 6.101 1.00 0.00 H new ATOM 800 N HIS A 53 -3.265 10.793 1.151 1.00 0.00 N ATOM 801 CA HIS A 53 -3.477 11.035 -0.272 1.00 0.00 C ATOM 802 C HIS A 53 -2.531 10.185 -1.115 1.00 0.00 C ATOM 803 O HIS A 53 -2.935 9.597 -2.117 1.00 0.00 O ATOM 804 CB HIS A 53 -3.277 12.515 -0.596 1.00 0.00 C ATOM 805 CG HIS A 53 -3.803 13.436 0.462 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.132 13.793 0.557 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.172 14.072 1.476 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.294 14.610 1.582 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.120 14.796 2.157 1.00 0.00 N ATOM 0 H HIS A 53 -2.882 11.589 1.661 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.502 10.754 -0.513 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.213 12.707 -0.737 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.770 12.741 -1.541 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.118 14.020 1.707 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.228 15.051 1.897 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.946 15.382 2.974 1.00 0.00 H new ATOM 818 N TRP A 54 -1.270 10.127 -0.701 1.00 0.00 N ATOM 819 CA TRP A 54 -0.266 9.350 -1.419 1.00 0.00 C ATOM 820 C TRP A 54 -0.057 7.990 -0.761 1.00 0.00 C ATOM 821 O TRP A 54 0.237 7.906 0.431 1.00 0.00 O ATOM 822 CB TRP A 54 1.059 10.114 -1.470 1.00 0.00 C ATOM 823 CG TRP A 54 0.936 11.475 -2.086 1.00 0.00 C ATOM 824 CD1 TRP A 54 1.108 12.676 -1.460 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.613 11.772 -3.449 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.912 13.703 -2.352 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.608 13.175 -3.579 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.330 10.991 -4.572 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.329 13.809 -4.786 1.00 0.00 C ATOM 830 CZ3 TRP A 54 0.053 11.622 -5.770 1.00 0.00 C ATOM 831 CH2 TRP A 54 0.055 13.020 -5.870 1.00 0.00 C ATOM 0 H TRP A 54 -0.919 10.608 0.127 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.625 9.190 -2.436 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.451 10.215 -0.458 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.785 9.531 -2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.361 12.801 -0.417 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.982 14.697 -2.136 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.328 9.913 -4.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.329 14.886 -4.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.169 11.028 -6.644 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.164 13.483 -6.821 1.00 0.00 H new ATOM 842 N TRP A 55 -0.211 6.929 -1.545 1.00 0.00 N ATOM 843 CA TRP A 55 -0.039 5.573 -1.038 1.00 0.00 C ATOM 844 C TRP A 55 1.116 4.870 -1.743 1.00 0.00 C ATOM 845 O TRP A 55 1.282 4.996 -2.957 1.00 0.00 O ATOM 846 CB TRP A 55 -1.329 4.771 -1.221 1.00 0.00 C ATOM 847 CG TRP A 55 -2.290 4.924 -0.081 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.163 5.760 0.991 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.524 4.221 0.099 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.244 5.619 1.828 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.094 4.682 1.303 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.205 3.250 -0.639 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.310 4.202 1.782 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.411 2.774 -0.162 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.954 3.250 1.039 1.00 0.00 C ATOM 0 H TRP A 55 -0.455 6.982 -2.534 1.00 0.00 H new ATOM 0 HA TRP A 55 0.194 5.636 0.025 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.817 5.087 -2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.079 3.716 -1.337 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.335 6.433 1.157 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.390 6.129 2.699 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.796 2.878 -1.567 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.730 4.568 2.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.945 2.022 -0.724 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.899 2.858 1.385 1.00 0.00 H new ATOM 866 N ARG A 56 1.910 4.130 -0.976 1.00 0.00 N ATOM 867 CA ARG A 56 3.049 3.408 -1.529 1.00 0.00 C ATOM 868 C ARG A 56 2.653 1.990 -1.928 1.00 0.00 C ATOM 869 O ARG A 56 2.399 1.141 -1.073 1.00 0.00 O ATOM 870 CB ARG A 56 4.192 3.363 -0.513 1.00 0.00 C ATOM 871 CG ARG A 56 5.515 2.905 -1.105 1.00 0.00 C ATOM 872 CD ARG A 56 6.664 3.112 -0.130 1.00 0.00 C ATOM 873 NE ARG A 56 7.284 4.425 -0.286 1.00 0.00 N ATOM 874 CZ ARG A 56 8.091 4.741 -1.293 1.00 0.00 C ATOM 875 NH1 ARG A 56 8.373 3.844 -2.228 1.00 0.00 N ATOM 876 NH2 ARG A 56 8.617 5.957 -1.367 1.00 0.00 N ATOM 0 H ARG A 56 1.785 4.015 0.030 1.00 0.00 H new ATOM 0 HA ARG A 56 3.384 3.937 -2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.321 4.355 -0.080 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.917 2.693 0.302 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.449 1.850 -1.373 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.713 3.456 -2.025 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.297 3.003 0.891 1.00 0.00 H new ATOM 0 HD3 ARG A 56 7.414 2.336 -0.284 1.00 0.00 H new ATOM 0 HE ARG A 56 7.087 5.138 0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.970 2.908 -2.175 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.993 4.090 -3.000 1.00 0.00 H new ATOM 0 HH21 ARG A 56 8.402 6.650 -0.650 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.236 6.199 -2.141 1.00 0.00 H new ATOM 890 N VAL A 57 2.601 1.741 -3.233 1.00 0.00 N ATOM 891 CA VAL A 57 2.236 0.426 -3.746 1.00 0.00 C ATOM 892 C VAL A 57 3.362 -0.169 -4.584 1.00 0.00 C ATOM 893 O VAL A 57 4.344 0.506 -4.889 1.00 0.00 O ATOM 894 CB VAL A 57 0.955 0.492 -4.599 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.206 1.033 -3.779 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.185 1.343 -5.839 1.00 0.00 C ATOM 0 H VAL A 57 2.807 2.433 -3.954 1.00 0.00 H new ATOM 0 HA VAL A 57 2.055 -0.212 -2.881 1.00 0.00 H new ATOM 0 HB VAL A 57 0.701 -0.518 -4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.102 1.072 -4.399 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.384 0.380 -2.925 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.035 2.035 -3.425 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.270 1.379 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.464 2.353 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.986 0.907 -6.436 1.00 0.00 H new ATOM 906 N GLN A 58 3.211 -1.437 -4.954 1.00 0.00 N ATOM 907 CA GLN A 58 4.216 -2.123 -5.757 1.00 0.00 C ATOM 908 C GLN A 58 3.575 -2.819 -6.953 1.00 0.00 C ATOM 909 O GLN A 58 2.728 -3.698 -6.791 1.00 0.00 O ATOM 910 CB GLN A 58 4.973 -3.142 -4.904 1.00 0.00 C ATOM 911 CG GLN A 58 6.081 -3.861 -5.656 1.00 0.00 C ATOM 912 CD GLN A 58 7.022 -4.610 -4.732 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.736 -5.732 -4.313 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.152 -3.992 -4.410 1.00 0.00 N ATOM 0 H GLN A 58 2.403 -2.009 -4.710 1.00 0.00 H new ATOM 0 HA GLN A 58 4.919 -1.377 -6.128 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.402 -2.633 -4.041 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.267 -3.879 -4.522 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.639 -4.562 -6.364 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.650 -3.136 -6.238 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.348 -3.062 -4.780 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.824 -4.447 -3.792 1.00 0.00 H new ATOM 923 N ASP A 59 3.983 -2.419 -8.152 1.00 0.00 N ATOM 924 CA ASP A 59 3.449 -3.005 -9.376 1.00 0.00 C ATOM 925 C ASP A 59 3.810 -4.484 -9.474 1.00 0.00 C ATOM 926 O ASP A 59 4.574 -5.001 -8.658 1.00 0.00 O ATOM 927 CB ASP A 59 3.980 -2.256 -10.600 1.00 0.00 C ATOM 928 CG ASP A 59 5.371 -1.697 -10.377 1.00 0.00 C ATOM 929 OD1 ASP A 59 5.500 -0.707 -9.626 1.00 0.00 O ATOM 930 OD2 ASP A 59 6.331 -2.249 -10.953 1.00 0.00 O ATOM 0 H ASP A 59 4.682 -1.691 -8.303 1.00 0.00 H new ATOM 0 HA ASP A 59 2.363 -2.916 -9.348 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.995 -2.930 -11.457 1.00 0.00 H new ATOM 0 HB3 ASP A 59 3.299 -1.441 -10.848 1.00 0.00 H new ATOM 935 N ARG A 60 3.255 -5.159 -10.475 1.00 0.00 N ATOM 936 CA ARG A 60 3.517 -6.579 -10.677 1.00 0.00 C ATOM 937 C ARG A 60 4.965 -6.809 -11.101 1.00 0.00 C ATOM 938 O ARG A 60 5.514 -7.893 -10.906 1.00 0.00 O ATOM 939 CB ARG A 60 2.568 -7.149 -11.733 1.00 0.00 C ATOM 940 CG ARG A 60 2.696 -6.480 -13.092 1.00 0.00 C ATOM 941 CD ARG A 60 1.672 -7.020 -14.078 1.00 0.00 C ATOM 942 NE ARG A 60 2.011 -6.685 -15.458 1.00 0.00 N ATOM 943 CZ ARG A 60 2.994 -7.267 -16.135 1.00 0.00 C ATOM 944 NH1 ARG A 60 3.731 -8.209 -15.563 1.00 0.00 N ATOM 945 NH2 ARG A 60 3.242 -6.907 -17.389 1.00 0.00 N ATOM 0 H ARG A 60 2.621 -4.746 -11.159 1.00 0.00 H new ATOM 0 HA ARG A 60 3.347 -7.093 -9.731 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.760 -8.216 -11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.542 -7.044 -11.381 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.565 -5.403 -12.983 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.700 -6.640 -13.484 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.605 -8.103 -13.974 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.689 -6.615 -13.838 1.00 0.00 H new ATOM 0 HE ARG A 60 1.463 -5.964 -15.928 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.544 -8.489 -14.600 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.485 -8.654 -16.086 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.677 -6.183 -17.833 1.00 0.00 H new ATOM 0 HH22 ARG A 60 3.997 -7.355 -17.908 1.00 0.00 H new ATOM 959 N ASN A 61 5.577 -5.783 -11.683 1.00 0.00 N ATOM 960 CA ASN A 61 6.960 -5.874 -12.135 1.00 0.00 C ATOM 961 C ASN A 61 7.922 -5.847 -10.952 1.00 0.00 C ATOM 962 O ASN A 61 8.952 -6.520 -10.960 1.00 0.00 O ATOM 963 CB ASN A 61 7.281 -4.727 -13.095 1.00 0.00 C ATOM 964 CG ASN A 61 6.581 -4.877 -14.431 1.00 0.00 C ATOM 965 OD1 ASN A 61 5.715 -5.737 -14.598 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.953 -4.039 -15.392 1.00 0.00 N ATOM 0 H ASN A 61 5.137 -4.879 -11.853 1.00 0.00 H new ATOM 0 HA ASN A 61 7.083 -6.822 -12.658 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.987 -3.782 -12.638 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.358 -4.682 -13.256 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.517 -4.093 -16.312 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.675 -3.342 -15.209 1.00 0.00 H new ATOM 973 N GLY A 62 7.579 -5.063 -9.934 1.00 0.00 N ATOM 974 CA GLY A 62 8.422 -4.963 -8.757 1.00 0.00 C ATOM 975 C GLY A 62 8.694 -3.526 -8.359 1.00 0.00 C ATOM 976 O GLY A 62 9.238 -3.263 -7.286 1.00 0.00 O ATOM 0 H GLY A 62 6.732 -4.495 -9.904 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.944 -5.483 -7.926 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.368 -5.469 -8.948 1.00 0.00 H new ATOM 980 N HIS A 63 8.316 -2.592 -9.227 1.00 0.00 N ATOM 981 CA HIS A 63 8.524 -1.173 -8.961 1.00 0.00 C ATOM 982 C HIS A 63 7.471 -0.642 -7.992 1.00 0.00 C ATOM 983 O HIS A 63 6.590 -1.381 -7.553 1.00 0.00 O ATOM 984 CB HIS A 63 8.481 -0.376 -10.265 1.00 0.00 C ATOM 985 CG HIS A 63 9.135 -1.076 -11.416 1.00 0.00 C ATOM 986 ND1 HIS A 63 8.756 -0.882 -12.728 1.00 0.00 N ATOM 987 CD2 HIS A 63 10.149 -1.972 -11.447 1.00 0.00 C ATOM 988 CE1 HIS A 63 9.508 -1.630 -13.516 1.00 0.00 C ATOM 989 NE2 HIS A 63 10.362 -2.301 -12.763 1.00 0.00 N ATOM 0 H HIS A 63 7.865 -2.792 -10.119 1.00 0.00 H new ATOM 0 HA HIS A 63 9.506 -1.055 -8.504 1.00 0.00 H new ATOM 0 HB2 HIS A 63 7.442 -0.168 -10.520 1.00 0.00 H new ATOM 0 HB3 HIS A 63 8.970 0.586 -10.110 1.00 0.00 H new ATOM 0 HD2 HIS A 63 10.690 -2.357 -10.595 1.00 0.00 H new ATOM 0 HE1 HIS A 63 9.437 -1.684 -14.592 1.00 0.00 H new ATOM 0 HE2 HIS A 63 11.065 -2.957 -13.104 1.00 0.00 H new ATOM 998 N GLU A 64 7.570 0.642 -7.663 1.00 0.00 N ATOM 999 CA GLU A 64 6.627 1.269 -6.744 1.00 0.00 C ATOM 1000 C GLU A 64 6.689 2.790 -6.856 1.00 0.00 C ATOM 1001 O GLU A 64 7.429 3.334 -7.675 1.00 0.00 O ATOM 1002 CB GLU A 64 6.920 0.841 -5.305 1.00 0.00 C ATOM 1003 CG GLU A 64 8.403 0.787 -4.976 1.00 0.00 C ATOM 1004 CD GLU A 64 9.013 2.166 -4.809 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.251 3.155 -4.798 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.253 2.254 -4.689 1.00 0.00 O ATOM 0 H GLU A 64 8.293 1.268 -8.019 1.00 0.00 H new ATOM 0 HA GLU A 64 5.623 0.941 -7.015 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.430 1.534 -4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.482 -0.142 -5.131 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.548 0.216 -4.059 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.928 0.255 -5.769 1.00 0.00 H new ATOM 1013 N GLY A 65 5.905 3.471 -6.026 1.00 0.00 N ATOM 1014 CA GLY A 65 5.885 4.922 -6.048 1.00 0.00 C ATOM 1015 C GLY A 65 4.689 5.496 -5.314 1.00 0.00 C ATOM 1016 O GLY A 65 3.777 4.763 -4.929 1.00 0.00 O ATOM 0 H GLY A 65 5.284 3.044 -5.339 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.801 5.302 -5.596 1.00 0.00 H new ATOM 0 HA3 GLY A 65 5.873 5.267 -7.082 1.00 0.00 H new ATOM 1020 N TYR A 66 4.693 6.810 -5.117 1.00 0.00 N ATOM 1021 CA TYR A 66 3.602 7.481 -4.420 1.00 0.00 C ATOM 1022 C TYR A 66 2.466 7.817 -5.381 1.00 0.00 C ATOM 1023 O TYR A 66 2.586 8.718 -6.212 1.00 0.00 O ATOM 1024 CB TYR A 66 4.108 8.757 -3.746 1.00 0.00 C ATOM 1025 CG TYR A 66 4.938 8.500 -2.508 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.528 7.577 -1.553 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.131 9.179 -2.293 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.283 7.339 -0.420 1.00 0.00 C ATOM 1029 CE2 TYR A 66 6.892 8.947 -1.164 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.464 8.026 -0.231 1.00 0.00 C ATOM 1031 OH TYR A 66 7.219 7.792 0.896 1.00 0.00 O ATOM 0 H TYR A 66 5.439 7.431 -5.430 1.00 0.00 H new ATOM 0 HA TYR A 66 3.220 6.802 -3.658 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.704 9.324 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.254 9.379 -3.478 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.604 7.037 -1.699 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.469 9.901 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.950 6.619 0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.817 9.484 -1.013 1.00 0.00 H new ATOM 0 HH TYR A 66 8.020 8.356 0.876 1.00 0.00 H new ATOM 1041 N VAL A 67 1.363 7.086 -5.262 1.00 0.00 N ATOM 1042 CA VAL A 67 0.203 7.306 -6.118 1.00 0.00 C ATOM 1043 C VAL A 67 -0.996 7.784 -5.308 1.00 0.00 C ATOM 1044 O VAL A 67 -1.099 7.543 -4.105 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.184 6.024 -6.879 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.707 5.836 -8.098 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.104 4.814 -5.960 1.00 0.00 C ATOM 0 H VAL A 67 1.248 6.336 -4.581 1.00 0.00 H new ATOM 0 HA VAL A 67 0.482 8.077 -6.837 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.214 6.124 -7.223 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.418 4.925 -8.623 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.595 6.690 -8.766 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.747 5.758 -7.780 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.381 3.917 -6.514 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.914 4.709 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.788 4.948 -5.122 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.926 8.478 -5.980 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.136 9.005 -5.342 1.00 0.00 C ATOM 1059 C PRO A 68 -4.109 7.900 -4.944 1.00 0.00 C ATOM 1060 O PRO A 68 -4.736 7.274 -5.798 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.751 9.893 -6.427 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.245 9.330 -7.710 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.868 8.803 -7.415 1.00 0.00 C ATOM 0 HA PRO A 68 -2.911 9.534 -4.416 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.840 9.870 -6.387 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.449 10.933 -6.305 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.898 8.536 -8.072 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.212 10.095 -8.486 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.637 7.924 -8.017 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.099 9.546 -7.628 1.00 0.00 H new ATOM 1071 N SER A 69 -4.229 7.665 -3.641 1.00 0.00 N ATOM 1072 CA SER A 69 -5.123 6.633 -3.129 1.00 0.00 C ATOM 1073 C SER A 69 -6.458 6.656 -3.867 1.00 0.00 C ATOM 1074 O SER A 69 -7.155 5.644 -3.943 1.00 0.00 O ATOM 1075 CB SER A 69 -5.353 6.826 -1.629 1.00 0.00 C ATOM 1076 OG SER A 69 -6.160 7.963 -1.379 1.00 0.00 O ATOM 0 H SER A 69 -3.718 8.176 -2.921 1.00 0.00 H new ATOM 0 HA SER A 69 -4.652 5.664 -3.295 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.831 5.939 -1.214 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.394 6.938 -1.122 1.00 0.00 H new ATOM 0 HG SER A 69 -6.293 8.064 -0.413 1.00 0.00 H new ATOM 1082 N SER A 70 -6.807 7.818 -4.410 1.00 0.00 N ATOM 1083 CA SER A 70 -8.059 7.975 -5.140 1.00 0.00 C ATOM 1084 C SER A 70 -8.175 6.937 -6.251 1.00 0.00 C ATOM 1085 O SER A 70 -9.231 6.334 -6.446 1.00 0.00 O ATOM 1086 CB SER A 70 -8.157 9.383 -5.730 1.00 0.00 C ATOM 1087 OG SER A 70 -7.957 10.369 -4.732 1.00 0.00 O ATOM 0 H SER A 70 -6.240 8.664 -4.358 1.00 0.00 H new ATOM 0 HA SER A 70 -8.880 7.824 -4.439 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.414 9.503 -6.518 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.135 9.520 -6.191 1.00 0.00 H new ATOM 0 HG SER A 70 -8.023 11.260 -5.135 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.082 6.732 -6.977 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.060 5.769 -8.071 1.00 0.00 C ATOM 1095 C TYR A 71 -7.173 4.342 -7.543 1.00 0.00 C ATOM 1096 O TYR A 71 -7.938 3.532 -8.068 1.00 0.00 O ATOM 1097 CB TYR A 71 -5.775 5.922 -8.888 1.00 0.00 C ATOM 1098 CG TYR A 71 -5.766 7.143 -9.779 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -5.976 8.412 -9.254 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.548 7.028 -11.146 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -5.970 9.531 -10.065 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.538 8.141 -11.964 1.00 0.00 C ATOM 1103 CZ TYR A 71 -5.750 9.390 -11.419 1.00 0.00 C ATOM 1104 OH TYR A 71 -5.742 10.501 -12.231 1.00 0.00 O ATOM 0 H TYR A 71 -6.199 7.220 -6.827 1.00 0.00 H new ATOM 0 HA TYR A 71 -7.917 5.969 -8.714 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -4.925 5.973 -8.207 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.637 5.033 -9.503 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.147 8.526 -8.194 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.383 6.051 -11.577 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.137 10.510 -9.641 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.365 8.034 -13.025 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.572 10.228 -13.157 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.407 4.042 -6.500 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.420 2.713 -5.898 1.00 0.00 C ATOM 1116 C LEU A 72 -7.709 2.482 -5.117 1.00 0.00 C ATOM 1117 O LEU A 72 -8.191 3.372 -4.416 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.213 2.538 -4.975 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.839 2.667 -5.635 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.735 2.547 -4.596 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.668 1.614 -6.721 1.00 0.00 C ATOM 0 H LEU A 72 -5.769 4.701 -6.053 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.366 1.977 -6.700 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.281 3.277 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.278 1.556 -4.507 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.770 3.652 -6.097 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.765 2.641 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.846 3.337 -3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.802 1.576 -4.105 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.685 1.721 -7.180 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.758 0.620 -6.282 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.439 1.746 -7.480 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.263 1.280 -5.241 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.495 0.930 -4.544 1.00 0.00 C ATOM 1135 C VAL A 73 -9.389 -0.446 -3.897 1.00 0.00 C ATOM 1136 O VAL A 73 -8.965 -1.410 -4.534 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.704 0.945 -5.498 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.614 2.125 -6.455 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.794 -0.366 -6.263 1.00 0.00 C ATOM 0 H VAL A 73 -7.878 0.532 -5.818 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.644 1.682 -3.769 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.612 1.057 -4.905 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.476 2.120 -7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.601 3.055 -5.886 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.700 2.047 -7.044 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.654 -0.338 -6.932 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.884 -0.510 -6.846 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.908 -1.191 -5.559 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.777 -0.530 -2.628 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.725 -1.790 -1.896 1.00 0.00 C ATOM 1151 C GLU A 74 -10.617 -2.839 -2.554 1.00 0.00 C ATOM 1152 O GLU A 74 -11.843 -2.769 -2.471 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.155 -1.578 -0.443 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.612 -2.629 0.512 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.520 -2.858 1.704 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -11.751 -2.714 1.550 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -9.999 -3.183 2.792 1.00 0.00 O ATOM 0 H GLU A 74 -10.130 0.259 -2.086 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.696 -2.150 -1.915 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.822 -0.594 -0.114 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.244 -1.580 -0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.479 -3.568 -0.025 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.627 -2.321 0.864 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.992 -3.812 -3.208 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.726 -4.877 -3.880 1.00 0.00 C ATOM 1166 C LYS A 75 -11.811 -5.447 -2.972 1.00 0.00 C ATOM 1167 O LYS A 75 -11.519 -6.155 -2.009 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.769 -5.992 -4.310 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.444 -7.106 -5.090 1.00 0.00 C ATOM 1170 CD LYS A 75 -9.484 -7.765 -6.065 1.00 0.00 C ATOM 1171 CE LYS A 75 -10.212 -8.701 -7.018 1.00 0.00 C ATOM 1172 NZ LYS A 75 -10.961 -7.954 -8.066 1.00 0.00 N ATOM 0 H LYS A 75 -8.978 -3.885 -3.287 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.202 -4.454 -4.764 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.975 -5.562 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.296 -6.415 -3.424 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.831 -7.854 -4.397 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.298 -6.704 -5.635 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.960 -6.998 -6.636 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.728 -8.323 -5.512 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.492 -9.368 -7.492 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.904 -9.327 -6.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.345 -8.624 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -11.742 -7.427 -7.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -10.320 -7.288 -8.543 1.00 0.00 H new