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 37:sc= 0.0833 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 170:sc= 0.00071 USER MOD Single : A 41 ASN : amide:sc= -5.7! C(o=-5.7!,f=-4.8!) USER MOD Single : A 44 TYR OH : rot 100:sc= 0.659 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.113 X(o=-0.11,f=-0.099) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= 0.097 X(o=0.097,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -2.1! K(o=-2.1!,f=-0.76) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -136:sc= 0.243 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 -3.195 -6.869 1.352 1.00 0.00 N ATOM 272 CA THR A 20 -4.094 -5.797 0.945 1.00 0.00 C ATOM 273 C THR A 20 -3.838 -5.382 -0.499 1.00 0.00 C ATOM 274 O THR A 20 -2.954 -4.570 -0.775 1.00 0.00 O ATOM 275 CB THR A 20 -3.947 -4.564 1.856 1.00 0.00 C ATOM 276 OG1 THR A 20 -4.167 -4.934 3.222 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.930 -3.474 1.455 1.00 0.00 C ATOM 0 HA THR A 20 -5.109 -6.186 1.033 1.00 0.00 H new ATOM 0 HB THR A 20 -2.934 -4.176 1.744 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.792 -5.825 3.384 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.807 -2.613 2.113 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.740 -3.173 0.425 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.948 -3.853 1.540 1.00 0.00 H new ATOM 285 N VAL A 21 -4.618 -5.943 -1.418 1.00 0.00 N ATOM 286 CA VAL A 21 -4.476 -5.629 -2.835 1.00 0.00 C ATOM 287 C VAL A 21 -5.488 -4.574 -3.268 1.00 0.00 C ATOM 288 O VAL A 21 -6.651 -4.611 -2.864 1.00 0.00 O ATOM 289 CB VAL A 21 -4.654 -6.885 -3.709 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.638 -6.516 -5.184 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.573 -7.909 -3.395 1.00 0.00 C ATOM 0 H VAL A 21 -5.354 -6.617 -1.207 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.467 -5.239 -2.973 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.622 -7.331 -3.482 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.765 -7.416 -5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.451 -5.821 -5.394 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.686 -6.046 -5.431 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.714 -8.790 -4.021 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.593 -7.476 -3.593 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.637 -8.196 -2.345 1.00 0.00 H new ATOM 301 N VAL A 22 -5.039 -3.635 -4.094 1.00 0.00 N ATOM 302 CA VAL A 22 -5.906 -2.570 -4.585 1.00 0.00 C ATOM 303 C VAL A 22 -5.918 -2.529 -6.109 1.00 0.00 C ATOM 304 O VAL A 22 -5.128 -3.209 -6.764 1.00 0.00 O ATOM 305 CB VAL A 22 -5.465 -1.195 -4.048 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.727 -1.096 -2.553 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.996 -0.949 -4.358 1.00 0.00 C ATOM 0 H VAL A 22 -4.080 -3.590 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.911 -2.788 -4.223 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.052 -0.424 -4.547 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.409 -0.118 -2.192 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.792 -1.225 -2.361 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.168 -1.874 -2.033 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.701 0.027 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.390 -1.724 -3.888 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.843 -0.974 -5.437 1.00 0.00 H new ATOM 317 N ILE A 23 -6.818 -1.726 -6.666 1.00 0.00 N ATOM 318 CA ILE A 23 -6.931 -1.595 -8.114 1.00 0.00 C ATOM 319 C ILE A 23 -7.077 -0.134 -8.523 1.00 0.00 C ATOM 320 O ILE A 23 -7.700 0.660 -7.819 1.00 0.00 O ATOM 321 CB ILE A 23 -8.132 -2.391 -8.659 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.072 -3.842 -8.175 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.158 -2.335 -10.179 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.430 -4.499 -8.066 1.00 0.00 C ATOM 0 H ILE A 23 -7.479 -1.157 -6.138 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.013 -2.000 -8.540 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.050 -1.940 -8.282 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.452 -4.420 -8.860 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.584 -3.872 -7.201 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.012 -2.902 -10.549 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.243 -1.298 -10.503 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.238 -2.765 -10.575 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.311 -5.525 -7.718 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.047 -3.945 -7.358 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.913 -4.501 -9.043 1.00 0.00 H new ATOM 336 N ALA A 24 -6.499 0.214 -9.669 1.00 0.00 N ATOM 337 CA ALA A 24 -6.567 1.580 -10.175 1.00 0.00 C ATOM 338 C ALA A 24 -7.794 1.776 -11.059 1.00 0.00 C ATOM 339 O ALA A 24 -8.001 1.040 -12.024 1.00 0.00 O ATOM 340 CB ALA A 24 -5.300 1.921 -10.944 1.00 0.00 C ATOM 0 H ALA A 24 -5.979 -0.431 -10.264 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.654 2.254 -9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.364 2.944 -11.316 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.438 1.829 -10.284 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.189 1.236 -11.784 1.00 0.00 H new ATOM 346 N LEU A 25 -8.606 2.773 -10.722 1.00 0.00 N ATOM 347 CA LEU A 25 -9.814 3.067 -11.486 1.00 0.00 C ATOM 348 C LEU A 25 -9.474 3.780 -12.790 1.00 0.00 C ATOM 349 O LEU A 25 -10.196 3.664 -13.780 1.00 0.00 O ATOM 350 CB LEU A 25 -10.769 3.926 -10.655 1.00 0.00 C ATOM 351 CG LEU A 25 -11.212 3.334 -9.317 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.544 4.441 -8.328 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.407 2.412 -9.510 1.00 0.00 C ATOM 0 H LEU A 25 -8.450 3.391 -9.926 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.301 2.122 -11.727 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.289 4.886 -10.464 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.658 4.127 -11.253 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.388 2.747 -8.911 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.857 4.001 -7.381 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.662 5.061 -8.166 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.351 5.056 -8.727 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.708 2.000 -8.547 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.236 2.975 -9.939 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.134 1.599 -10.183 1.00 0.00 H new ATOM 365 N TYR A 26 -8.369 4.517 -12.784 1.00 0.00 N ATOM 366 CA TYR A 26 -7.933 5.250 -13.967 1.00 0.00 C ATOM 367 C TYR A 26 -6.435 5.072 -14.197 1.00 0.00 C ATOM 368 O TYR A 26 -5.682 4.791 -13.265 1.00 0.00 O ATOM 369 CB TYR A 26 -8.265 6.736 -13.823 1.00 0.00 C ATOM 370 CG TYR A 26 -9.542 7.000 -13.058 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.780 6.899 -13.679 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.510 7.352 -11.714 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.950 7.140 -12.984 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.674 7.593 -11.011 1.00 0.00 C ATOM 375 CZ TYR A 26 -11.892 7.486 -11.651 1.00 0.00 C ATOM 376 OH TYR A 26 -13.054 7.727 -10.954 1.00 0.00 O ATOM 0 H TYR A 26 -7.759 4.623 -11.973 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.465 4.847 -14.829 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.439 7.237 -13.318 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.348 7.179 -14.815 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.829 6.627 -14.723 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.558 7.439 -11.211 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.904 7.058 -13.483 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -10.631 7.864 -9.966 1.00 0.00 H new ATOM 0 HH TYR A 26 -12.837 7.958 -10.027 1.00 0.00 H new ATOM 386 N ASP A 27 -6.011 5.239 -15.445 1.00 0.00 N ATOM 387 CA ASP A 27 -4.603 5.099 -15.799 1.00 0.00 C ATOM 388 C ASP A 27 -3.833 6.378 -15.484 1.00 0.00 C ATOM 389 O ASP A 27 -3.777 7.297 -16.301 1.00 0.00 O ATOM 390 CB ASP A 27 -4.460 4.755 -17.282 1.00 0.00 C ATOM 391 CG ASP A 27 -4.824 5.918 -18.184 1.00 0.00 C ATOM 392 OD1 ASP A 27 -6.001 6.333 -18.170 1.00 0.00 O ATOM 393 OD2 ASP A 27 -3.931 6.413 -18.904 1.00 0.00 O ATOM 0 H ASP A 27 -6.622 5.471 -16.228 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.183 4.288 -15.204 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.433 4.450 -17.484 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -5.098 3.903 -17.517 1.00 0.00 H new ATOM 398 N TYR A 28 -3.243 6.429 -14.295 1.00 0.00 N ATOM 399 CA TYR A 28 -2.480 7.597 -13.871 1.00 0.00 C ATOM 400 C TYR A 28 -1.107 7.621 -14.536 1.00 0.00 C ATOM 401 O TYR A 28 -0.497 6.577 -14.762 1.00 0.00 O ATOM 402 CB TYR A 28 -2.322 7.603 -12.350 1.00 0.00 C ATOM 403 CG TYR A 28 -1.543 8.790 -11.827 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.119 10.052 -11.768 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.231 8.647 -11.391 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.411 11.139 -11.292 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.484 9.727 -10.912 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.110 10.971 -10.865 1.00 0.00 C ATOM 409 OH TYR A 28 0.598 12.051 -10.389 1.00 0.00 O ATOM 0 H TYR A 28 -3.278 5.676 -13.608 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.028 8.488 -14.177 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.310 7.596 -11.890 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.821 6.686 -12.041 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.138 10.186 -12.100 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.237 7.675 -11.427 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.873 12.114 -11.254 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.502 9.598 -10.576 1.00 0.00 H new ATOM 0 HH TYR A 28 1.435 11.741 -9.984 1.00 0.00 H new ATOM 507 N GLU A 35 7.384 8.824 -7.910 1.00 0.00 N ATOM 508 CA GLU A 35 5.994 8.526 -8.236 1.00 0.00 C ATOM 509 C GLU A 35 5.902 7.339 -9.189 1.00 0.00 C ATOM 510 O GLU A 35 6.891 6.948 -9.811 1.00 0.00 O ATOM 511 CB GLU A 35 5.320 9.750 -8.860 1.00 0.00 C ATOM 512 CG GLU A 35 5.139 10.906 -7.891 1.00 0.00 C ATOM 513 CD GLU A 35 4.673 12.175 -8.578 1.00 0.00 C ATOM 514 OE1 GLU A 35 3.456 12.300 -8.831 1.00 0.00 O ATOM 515 OE2 GLU A 35 5.525 13.043 -8.861 1.00 0.00 O ATOM 0 HA GLU A 35 5.477 8.268 -7.312 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.914 10.088 -9.709 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.345 9.458 -9.250 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.415 10.624 -7.126 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.083 11.099 -7.381 1.00 0.00 H new ATOM 522 N LEU A 36 4.707 6.768 -9.299 1.00 0.00 N ATOM 523 CA LEU A 36 4.484 5.624 -10.176 1.00 0.00 C ATOM 524 C LEU A 36 3.204 5.801 -10.988 1.00 0.00 C ATOM 525 O LEU A 36 2.217 6.348 -10.497 1.00 0.00 O ATOM 526 CB LEU A 36 4.406 4.335 -9.356 1.00 0.00 C ATOM 527 CG LEU A 36 4.009 3.073 -10.124 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.240 2.385 -10.693 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.232 2.124 -9.225 1.00 0.00 C ATOM 0 H LEU A 36 3.878 7.079 -8.792 1.00 0.00 H new ATOM 0 HA LEU A 36 5.325 5.558 -10.867 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.378 4.164 -8.893 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.690 4.485 -8.548 1.00 0.00 H new ATOM 0 HG LEU A 36 3.365 3.363 -10.954 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.938 1.489 -11.236 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.755 3.064 -11.372 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.910 2.107 -9.880 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.958 1.232 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.851 1.840 -8.374 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.329 2.619 -8.867 1.00 0.00 H new ATOM 541 N ALA A 37 3.229 5.334 -12.232 1.00 0.00 N ATOM 542 CA ALA A 37 2.070 5.438 -13.110 1.00 0.00 C ATOM 543 C ALA A 37 1.156 4.227 -12.957 1.00 0.00 C ATOM 544 O ALA A 37 1.437 3.153 -13.491 1.00 0.00 O ATOM 545 CB ALA A 37 2.516 5.586 -14.557 1.00 0.00 C ATOM 0 H ALA A 37 4.039 4.880 -12.654 1.00 0.00 H new ATOM 0 HA ALA A 37 1.505 6.325 -12.823 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.640 5.663 -15.202 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.123 6.486 -14.661 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.105 4.716 -14.847 1.00 0.00 H new ATOM 551 N LEU A 38 0.062 4.406 -12.225 1.00 0.00 N ATOM 552 CA LEU A 38 -0.894 3.327 -12.002 1.00 0.00 C ATOM 553 C LEU A 38 -1.552 2.902 -13.311 1.00 0.00 C ATOM 554 O LEU A 38 -1.832 3.734 -14.174 1.00 0.00 O ATOM 555 CB LEU A 38 -1.963 3.766 -11.000 1.00 0.00 C ATOM 556 CG LEU A 38 -1.656 3.490 -9.527 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.639 4.225 -8.630 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.691 1.995 -9.246 1.00 0.00 C ATOM 0 H LEU A 38 -0.185 5.288 -11.776 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.352 2.473 -11.596 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.129 4.836 -11.122 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.898 3.268 -11.255 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.653 3.857 -9.310 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.405 4.017 -7.586 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.565 5.297 -8.811 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.653 3.889 -8.849 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.470 1.817 -8.193 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.681 1.604 -9.480 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.947 1.491 -9.863 1.00 0.00 H new ATOM 570 N ARG A 39 -1.796 1.603 -13.450 1.00 0.00 N ATOM 571 CA ARG A 39 -2.422 1.069 -14.653 1.00 0.00 C ATOM 572 C ARG A 39 -3.912 0.824 -14.429 1.00 0.00 C ATOM 573 O ARG A 39 -4.320 0.347 -13.369 1.00 0.00 O ATOM 574 CB ARG A 39 -1.738 -0.234 -15.074 1.00 0.00 C ATOM 575 CG ARG A 39 -2.077 -0.670 -16.490 1.00 0.00 C ATOM 576 CD ARG A 39 -1.139 -0.038 -17.507 1.00 0.00 C ATOM 577 NE ARG A 39 -1.672 -0.115 -18.865 1.00 0.00 N ATOM 578 CZ ARG A 39 -1.020 0.323 -19.936 1.00 0.00 C ATOM 579 NH1 ARG A 39 0.183 0.866 -19.808 1.00 0.00 N ATOM 580 NH2 ARG A 39 -1.571 0.218 -21.138 1.00 0.00 N ATOM 0 H ARG A 39 -1.570 0.902 -12.745 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.308 1.805 -15.448 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.658 -0.111 -14.989 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.024 -1.025 -14.381 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.015 -1.756 -16.562 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.106 -0.393 -16.721 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -0.968 1.006 -17.243 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.172 -0.539 -17.468 1.00 0.00 H new ATOM 0 HE ARG A 39 -2.595 -0.528 -18.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.610 0.948 -18.885 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.681 1.202 -20.632 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -2.496 -0.199 -21.240 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.070 0.555 -21.960 1.00 0.00 H new ATOM 594 N ARG A 40 -4.718 1.154 -15.432 1.00 0.00 N ATOM 595 CA ARG A 40 -6.162 0.971 -15.343 1.00 0.00 C ATOM 596 C ARG A 40 -6.516 -0.506 -15.204 1.00 0.00 C ATOM 597 O ARG A 40 -5.827 -1.373 -15.741 1.00 0.00 O ATOM 598 CB ARG A 40 -6.848 1.557 -16.578 1.00 0.00 C ATOM 599 CG ARG A 40 -8.348 1.312 -16.616 1.00 0.00 C ATOM 600 CD ARG A 40 -9.001 2.031 -17.786 1.00 0.00 C ATOM 601 NE ARG A 40 -8.991 1.220 -19.001 1.00 0.00 N ATOM 602 CZ ARG A 40 -7.961 1.163 -19.838 1.00 0.00 C ATOM 603 NH1 ARG A 40 -6.864 1.866 -19.593 1.00 0.00 N ATOM 604 NH2 ARG A 40 -8.028 0.401 -20.923 1.00 0.00 N ATOM 0 H ARG A 40 -4.396 1.549 -16.316 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.515 1.496 -14.456 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.663 2.631 -16.611 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.396 1.128 -17.472 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.541 0.242 -16.692 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.797 1.652 -15.683 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -10.029 2.284 -17.528 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.479 2.969 -17.972 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.820 0.667 -19.219 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.809 2.452 -18.760 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.075 1.820 -20.237 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -8.871 -0.141 -21.114 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -7.237 0.358 -21.565 1.00 0.00 H new ATOM 618 N ASN A 41 -7.595 -0.786 -14.481 1.00 0.00 N ATOM 619 CA ASN A 41 -8.040 -2.159 -14.270 1.00 0.00 C ATOM 620 C ASN A 41 -6.855 -3.077 -13.986 1.00 0.00 C ATOM 621 O ASN A 41 -6.718 -4.136 -14.598 1.00 0.00 O ATOM 622 CB ASN A 41 -8.807 -2.662 -15.495 1.00 0.00 C ATOM 623 CG ASN A 41 -7.967 -2.628 -16.757 1.00 0.00 C ATOM 624 OD1 ASN A 41 -6.912 -3.259 -16.831 1.00 0.00 O ATOM 625 ND2 ASN A 41 -8.432 -1.889 -17.757 1.00 0.00 N ATOM 0 H ASN A 41 -8.178 -0.080 -14.031 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.702 -2.171 -13.404 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.146 -3.682 -15.315 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.698 -2.051 -15.638 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -7.910 -1.827 -18.631 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -9.311 -1.383 -17.651 1.00 0.00 H new ATOM 632 N GLU A 42 -6.003 -2.663 -13.053 1.00 0.00 N ATOM 633 CA GLU A 42 -4.830 -3.449 -12.688 1.00 0.00 C ATOM 634 C GLU A 42 -4.669 -3.514 -11.172 1.00 0.00 C ATOM 635 O GLU A 42 -4.896 -2.529 -10.471 1.00 0.00 O ATOM 636 CB GLU A 42 -3.572 -2.851 -13.321 1.00 0.00 C ATOM 637 CG GLU A 42 -3.262 -3.405 -14.701 1.00 0.00 C ATOM 638 CD GLU A 42 -3.201 -4.920 -14.722 1.00 0.00 C ATOM 639 OE1 GLU A 42 -4.268 -5.555 -14.856 1.00 0.00 O ATOM 640 OE2 GLU A 42 -2.086 -5.470 -14.603 1.00 0.00 O ATOM 0 H GLU A 42 -6.103 -1.789 -12.537 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.971 -4.462 -13.064 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.690 -1.770 -13.391 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.722 -3.037 -12.665 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.023 -3.066 -15.404 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.309 -3.002 -15.044 1.00 0.00 H new ATOM 647 N GLU A 43 -4.276 -4.682 -10.674 1.00 0.00 N ATOM 648 CA GLU A 43 -4.086 -4.876 -9.242 1.00 0.00 C ATOM 649 C GLU A 43 -2.765 -4.268 -8.780 1.00 0.00 C ATOM 650 O GLU A 43 -1.882 -3.987 -9.591 1.00 0.00 O ATOM 651 CB GLU A 43 -4.121 -6.367 -8.897 1.00 0.00 C ATOM 652 CG GLU A 43 -5.525 -6.948 -8.849 1.00 0.00 C ATOM 653 CD GLU A 43 -5.527 -8.458 -8.715 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.120 -9.139 -9.680 1.00 0.00 O ATOM 655 OE2 GLU A 43 -5.935 -8.959 -7.647 1.00 0.00 O ATOM 0 H GLU A 43 -4.083 -5.508 -11.241 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.900 -4.370 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.535 -6.916 -9.634 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.641 -6.519 -7.930 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.066 -6.512 -8.009 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.062 -6.667 -9.755 1.00 0.00 H new ATOM 662 N TYR A 44 -2.638 -4.066 -7.474 1.00 0.00 N ATOM 663 CA TYR A 44 -1.427 -3.488 -6.904 1.00 0.00 C ATOM 664 C TYR A 44 -1.296 -3.843 -5.426 1.00 0.00 C ATOM 665 O TYR A 44 -2.224 -3.637 -4.642 1.00 0.00 O ATOM 666 CB TYR A 44 -1.433 -1.968 -7.076 1.00 0.00 C ATOM 667 CG TYR A 44 -1.095 -1.515 -8.478 1.00 0.00 C ATOM 668 CD1 TYR A 44 0.222 -1.279 -8.855 1.00 0.00 C ATOM 669 CD2 TYR A 44 -2.092 -1.325 -9.427 1.00 0.00 C ATOM 670 CE1 TYR A 44 0.535 -0.865 -10.135 1.00 0.00 C ATOM 671 CE2 TYR A 44 -1.788 -0.913 -10.710 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.473 -0.684 -11.059 1.00 0.00 C ATOM 673 OH TYR A 44 -0.165 -0.273 -12.336 1.00 0.00 O ATOM 0 H TYR A 44 -3.359 -4.294 -6.789 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.571 -3.905 -7.436 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.417 -1.584 -6.807 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.718 -1.529 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.014 -1.422 -8.135 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.122 -1.503 -9.157 1.00 0.00 H new ATOM 0 HE1 TYR A 44 1.563 -0.684 -10.411 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -2.575 -0.771 -11.436 1.00 0.00 H new ATOM 0 HH TYR A 44 -0.164 -1.047 -12.937 1.00 0.00 H new ATOM 683 N CYS A 45 -0.139 -4.379 -5.053 1.00 0.00 N ATOM 684 CA CYS A 45 0.114 -4.764 -3.670 1.00 0.00 C ATOM 685 C CYS A 45 0.523 -3.555 -2.835 1.00 0.00 C ATOM 686 O CYS A 45 1.534 -2.909 -3.111 1.00 0.00 O ATOM 687 CB CYS A 45 1.206 -5.833 -3.608 1.00 0.00 C ATOM 688 SG CYS A 45 1.381 -6.617 -1.988 1.00 0.00 S ATOM 0 H CYS A 45 0.638 -4.557 -5.689 1.00 0.00 H new ATOM 0 HA CYS A 45 -0.809 -5.172 -3.258 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.990 -6.602 -4.350 1.00 0.00 H new ATOM 0 HB3 CYS A 45 2.158 -5.381 -3.886 1.00 0.00 H new ATOM 0 HG CYS A 45 2.327 -7.507 -2.037 1.00 0.00 H new ATOM 694 N LEU A 46 -0.271 -3.253 -1.813 1.00 0.00 N ATOM 695 CA LEU A 46 0.006 -2.119 -0.938 1.00 0.00 C ATOM 696 C LEU A 46 1.225 -2.393 -0.062 1.00 0.00 C ATOM 697 O LEU A 46 1.284 -3.404 0.639 1.00 0.00 O ATOM 698 CB LEU A 46 -1.210 -1.818 -0.060 1.00 0.00 C ATOM 699 CG LEU A 46 -1.097 -0.590 0.844 1.00 0.00 C ATOM 700 CD1 LEU A 46 -1.225 0.687 0.029 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.153 -0.635 1.939 1.00 0.00 C ATOM 0 H LEU A 46 -1.111 -3.778 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 46 0.218 -1.252 -1.563 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.078 -1.689 -0.707 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.406 -2.689 0.566 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.114 -0.598 1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.142 1.550 0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.431 0.724 -0.717 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.194 0.704 -0.471 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.058 0.247 2.573 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.145 -0.652 1.487 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.014 -1.532 2.542 1.00 0.00 H new ATOM 713 N LEU A 47 2.194 -1.485 -0.105 1.00 0.00 N ATOM 714 CA LEU A 47 3.411 -1.627 0.687 1.00 0.00 C ATOM 715 C LEU A 47 3.278 -0.906 2.024 1.00 0.00 C ATOM 716 O LEU A 47 3.408 -1.516 3.086 1.00 0.00 O ATOM 717 CB LEU A 47 4.612 -1.077 -0.085 1.00 0.00 C ATOM 718 CG LEU A 47 4.903 -1.738 -1.433 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.947 -0.943 -2.202 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.363 -3.175 -1.234 1.00 0.00 C ATOM 0 H LEU A 47 2.161 -0.643 -0.680 1.00 0.00 H new ATOM 0 HA LEU A 47 3.567 -2.688 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.454 -0.011 -0.252 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.498 -1.174 0.543 1.00 0.00 H new ATOM 0 HG LEU A 47 3.983 -1.750 -2.017 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.142 -1.428 -3.159 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.579 0.068 -2.376 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.870 -0.899 -1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.566 -3.630 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.271 -3.186 -0.631 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.582 -3.740 -0.724 1.00 0.00 H new ATOM 732 N ASP A 48 3.016 0.395 1.965 1.00 0.00 N ATOM 733 CA ASP A 48 2.862 1.200 3.172 1.00 0.00 C ATOM 734 C ASP A 48 1.764 2.244 2.992 1.00 0.00 C ATOM 735 O ASP A 48 1.543 2.743 1.889 1.00 0.00 O ATOM 736 CB ASP A 48 4.182 1.886 3.525 1.00 0.00 C ATOM 737 CG ASP A 48 3.980 3.133 4.363 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.722 4.206 3.778 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.079 3.036 5.604 1.00 0.00 O ATOM 0 H ASP A 48 2.906 0.915 1.094 1.00 0.00 H new ATOM 0 HA ASP A 48 2.577 0.536 3.988 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.818 1.186 4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.708 2.150 2.607 1.00 0.00 H new ATOM 744 N SER A 49 1.078 2.567 4.083 1.00 0.00 N ATOM 745 CA SER A 49 -0.001 3.548 4.046 1.00 0.00 C ATOM 746 C SER A 49 0.254 4.675 5.042 1.00 0.00 C ATOM 747 O SER A 49 -0.680 5.226 5.625 1.00 0.00 O ATOM 748 CB SER A 49 -1.341 2.876 4.350 1.00 0.00 C ATOM 749 OG SER A 49 -1.207 1.917 5.385 1.00 0.00 O ATOM 0 H SER A 49 1.250 2.164 5.004 1.00 0.00 H new ATOM 0 HA SER A 49 -0.036 3.974 3.043 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.072 3.630 4.641 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.722 2.394 3.450 1.00 0.00 H new ATOM 0 HG SER A 49 -2.077 1.503 5.562 1.00 0.00 H new ATOM 755 N SER A 50 1.526 5.011 5.233 1.00 0.00 N ATOM 756 CA SER A 50 1.906 6.069 6.162 1.00 0.00 C ATOM 757 C SER A 50 1.138 7.353 5.866 1.00 0.00 C ATOM 758 O SER A 50 0.746 8.079 6.780 1.00 0.00 O ATOM 759 CB SER A 50 3.411 6.331 6.082 1.00 0.00 C ATOM 760 OG SER A 50 3.826 7.234 7.092 1.00 0.00 O ATOM 0 H SER A 50 2.311 4.566 4.757 1.00 0.00 H new ATOM 0 HA SER A 50 1.655 5.741 7.171 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.953 5.391 6.185 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.661 6.737 5.102 1.00 0.00 H new ATOM 0 HG SER A 50 4.792 7.384 7.020 1.00 0.00 H new ATOM 766 N GLU A 51 0.926 7.627 4.582 1.00 0.00 N ATOM 767 CA GLU A 51 0.206 8.824 4.165 1.00 0.00 C ATOM 768 C GLU A 51 -1.237 8.490 3.798 1.00 0.00 C ATOM 769 O GLU A 51 -1.650 7.331 3.850 1.00 0.00 O ATOM 770 CB GLU A 51 0.908 9.480 2.975 1.00 0.00 C ATOM 771 CG GLU A 51 1.991 10.468 3.375 1.00 0.00 C ATOM 772 CD GLU A 51 1.464 11.588 4.251 1.00 0.00 C ATOM 773 OE1 GLU A 51 1.016 12.613 3.698 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.500 11.437 5.490 1.00 0.00 O ATOM 0 H GLU A 51 1.243 7.036 3.813 1.00 0.00 H new ATOM 0 HA GLU A 51 0.198 9.522 5.002 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.350 8.703 2.351 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.166 9.995 2.365 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.783 9.939 3.905 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.439 10.894 2.477 1.00 0.00 H new ATOM 781 N ILE A 52 -1.999 9.514 3.429 1.00 0.00 N ATOM 782 CA ILE A 52 -3.395 9.330 3.052 1.00 0.00 C ATOM 783 C ILE A 52 -3.598 9.564 1.559 1.00 0.00 C ATOM 784 O ILE A 52 -4.028 8.668 0.832 1.00 0.00 O ATOM 785 CB ILE A 52 -4.320 10.278 3.839 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.177 10.033 5.343 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.765 10.092 3.402 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.032 10.951 6.188 1.00 0.00 C ATOM 0 H ILE A 52 -1.673 10.479 3.383 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.653 8.299 3.294 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.027 11.306 3.628 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.443 8.999 5.561 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.132 10.160 5.626 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.406 10.769 3.967 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.854 10.311 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.072 9.063 3.587 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.880 10.721 7.243 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.751 11.987 5.998 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.082 10.807 5.933 1.00 0.00 H new ATOM 800 N HIS A 53 -3.283 10.774 1.107 1.00 0.00 N ATOM 801 CA HIS A 53 -3.428 11.126 -0.301 1.00 0.00 C ATOM 802 C HIS A 53 -2.503 10.279 -1.170 1.00 0.00 C ATOM 803 O HIS A 53 -2.920 9.742 -2.196 1.00 0.00 O ATOM 804 CB HIS A 53 -3.127 12.610 -0.511 1.00 0.00 C ATOM 805 CG HIS A 53 -3.766 13.501 0.509 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.111 13.806 0.505 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.238 14.153 1.571 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.382 14.608 1.519 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.262 14.834 2.182 1.00 0.00 N ATOM 0 H HIS A 53 -2.926 11.527 1.695 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.458 10.927 -0.596 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.048 12.760 -0.487 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.468 12.905 -1.503 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.203 14.140 1.880 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.354 15.010 1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.172 15.419 3.013 1.00 0.00 H new ATOM 818 N TRP A 54 -1.247 10.166 -0.754 1.00 0.00 N ATOM 819 CA TRP A 54 -0.264 9.385 -1.495 1.00 0.00 C ATOM 820 C TRP A 54 -0.011 8.043 -0.818 1.00 0.00 C ATOM 821 O TRP A 54 0.539 7.987 0.282 1.00 0.00 O ATOM 822 CB TRP A 54 1.047 10.163 -1.619 1.00 0.00 C ATOM 823 CG TRP A 54 0.867 11.547 -2.165 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.980 12.721 -1.475 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.541 11.901 -3.513 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.743 13.783 -2.314 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.473 13.307 -3.570 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.303 11.168 -4.678 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.174 13.991 -4.745 1.00 0.00 C ATOM 830 CZ3 TRP A 54 0.006 11.848 -5.844 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.055 13.247 -5.871 1.00 0.00 C ATOM 0 H TRP A 54 -0.885 10.605 0.093 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.663 9.197 -2.492 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.518 10.226 -0.638 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.729 9.611 -2.266 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.220 12.802 -0.425 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.765 14.767 -2.045 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.350 10.089 -4.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.124 15.070 -4.767 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.182 11.291 -6.750 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.287 13.749 -6.799 1.00 0.00 H new ATOM 842 N TRP A 55 -0.415 6.965 -1.480 1.00 0.00 N ATOM 843 CA TRP A 55 -0.231 5.623 -0.940 1.00 0.00 C ATOM 844 C TRP A 55 0.895 4.894 -1.665 1.00 0.00 C ATOM 845 O TRP A 55 1.049 5.022 -2.879 1.00 0.00 O ATOM 846 CB TRP A 55 -1.530 4.823 -1.056 1.00 0.00 C ATOM 847 CG TRP A 55 -2.448 5.009 0.114 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.279 5.870 1.160 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.677 4.316 0.358 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.328 5.755 2.039 1.00 0.00 N ATOM 851 CE2 TRP A 55 -4.200 4.808 1.569 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.388 3.329 -0.331 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.399 4.345 2.105 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.577 2.870 0.202 1.00 0.00 C ATOM 855 CH2 TRP A 55 -6.074 3.379 1.410 1.00 0.00 C ATOM 0 H TRP A 55 -0.872 6.994 -2.391 1.00 0.00 H new ATOM 0 HA TRP A 55 0.039 5.715 0.112 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -2.050 5.118 -1.967 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.289 3.765 -1.155 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.443 6.543 1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.440 6.288 2.902 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -4.014 2.932 -1.263 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.782 4.735 3.036 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -6.133 2.106 -0.321 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -7.008 3.001 1.800 1.00 0.00 H new ATOM 866 N ARG A 56 1.681 4.131 -0.912 1.00 0.00 N ATOM 867 CA ARG A 56 2.794 3.383 -1.483 1.00 0.00 C ATOM 868 C ARG A 56 2.372 1.957 -1.825 1.00 0.00 C ATOM 869 O ARG A 56 1.893 1.217 -0.966 1.00 0.00 O ATOM 870 CB ARG A 56 3.973 3.358 -0.508 1.00 0.00 C ATOM 871 CG ARG A 56 5.313 3.108 -1.180 1.00 0.00 C ATOM 872 CD ARG A 56 6.471 3.443 -0.253 1.00 0.00 C ATOM 873 NE ARG A 56 7.747 2.959 -0.774 1.00 0.00 N ATOM 874 CZ ARG A 56 8.178 1.712 -0.619 1.00 0.00 C ATOM 875 NH1 ARG A 56 7.440 0.828 0.038 1.00 0.00 N ATOM 876 NH2 ARG A 56 9.350 1.346 -1.122 1.00 0.00 N ATOM 0 H ARG A 56 1.567 4.015 0.095 1.00 0.00 H new ATOM 0 HA ARG A 56 3.102 3.882 -2.402 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.014 4.309 0.024 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.800 2.583 0.238 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.379 2.064 -1.485 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.385 3.709 -2.086 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.523 4.523 -0.113 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.289 3.003 0.728 1.00 0.00 H new ATOM 0 HE ARG A 56 8.339 3.614 -1.285 1.00 0.00 H new ATOM 0 HH11 ARG A 56 6.538 1.105 0.426 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.774 -0.129 0.155 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.921 2.022 -1.628 1.00 0.00 H new ATOM 0 HH22 ARG A 56 9.680 0.388 -1.002 1.00 0.00 H new ATOM 890 N VAL A 57 2.554 1.578 -3.087 1.00 0.00 N ATOM 891 CA VAL A 57 2.194 0.241 -3.543 1.00 0.00 C ATOM 892 C VAL A 57 3.238 -0.311 -4.507 1.00 0.00 C ATOM 893 O VAL A 57 4.164 0.395 -4.904 1.00 0.00 O ATOM 894 CB VAL A 57 0.818 0.237 -4.236 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.209 0.973 -3.389 1.00 0.00 C ATOM 896 CG2 VAL A 57 0.919 0.853 -5.623 1.00 0.00 C ATOM 0 H VAL A 57 2.949 2.178 -3.811 1.00 0.00 H new ATOM 0 HA VAL A 57 2.150 -0.394 -2.658 1.00 0.00 H new ATOM 0 HB VAL A 57 0.488 -0.796 -4.346 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.175 0.960 -3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.300 0.482 -2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.111 2.005 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -0.062 0.842 -6.098 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.270 1.881 -5.540 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.621 0.278 -6.226 1.00 0.00 H new ATOM 906 N GLN A 58 3.081 -1.577 -4.878 1.00 0.00 N ATOM 907 CA GLN A 58 4.011 -2.224 -5.796 1.00 0.00 C ATOM 908 C GLN A 58 3.262 -2.942 -6.914 1.00 0.00 C ATOM 909 O GLN A 58 2.276 -3.637 -6.668 1.00 0.00 O ATOM 910 CB GLN A 58 4.898 -3.217 -5.041 1.00 0.00 C ATOM 911 CG GLN A 58 6.024 -3.790 -5.886 1.00 0.00 C ATOM 912 CD GLN A 58 7.172 -4.317 -5.047 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.076 -5.386 -4.445 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.267 -3.567 -5.004 1.00 0.00 N ATOM 0 H GLN A 58 2.319 -2.175 -4.558 1.00 0.00 H new ATOM 0 HA GLN A 58 4.639 -1.452 -6.241 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.325 -2.721 -4.170 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.280 -4.035 -4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.633 -4.596 -6.507 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.396 -3.019 -6.561 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.303 -2.687 -5.519 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.072 -3.871 -4.456 1.00 0.00 H new ATOM 923 N ASP A 59 3.737 -2.769 -8.143 1.00 0.00 N ATOM 924 CA ASP A 59 3.112 -3.400 -9.299 1.00 0.00 C ATOM 925 C ASP A 59 3.507 -4.871 -9.394 1.00 0.00 C ATOM 926 O ASP A 59 4.372 -5.341 -8.655 1.00 0.00 O ATOM 927 CB ASP A 59 3.509 -2.669 -10.583 1.00 0.00 C ATOM 928 CG ASP A 59 2.703 -3.126 -11.782 1.00 0.00 C ATOM 929 OD1 ASP A 59 1.457 -3.135 -11.691 1.00 0.00 O ATOM 930 OD2 ASP A 59 3.316 -3.475 -12.812 1.00 0.00 O ATOM 0 H ASP A 59 4.552 -2.197 -8.364 1.00 0.00 H new ATOM 0 HA ASP A 59 2.031 -3.339 -9.175 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.372 -1.597 -10.444 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.569 -2.832 -10.778 1.00 0.00 H new ATOM 935 N ARG A 60 2.865 -5.593 -10.307 1.00 0.00 N ATOM 936 CA ARG A 60 3.147 -7.010 -10.497 1.00 0.00 C ATOM 937 C ARG A 60 4.526 -7.212 -11.118 1.00 0.00 C ATOM 938 O ARG A 60 5.187 -8.221 -10.874 1.00 0.00 O ATOM 939 CB ARG A 60 2.078 -7.651 -11.384 1.00 0.00 C ATOM 940 CG ARG A 60 1.888 -6.943 -12.716 1.00 0.00 C ATOM 941 CD ARG A 60 1.086 -7.794 -13.688 1.00 0.00 C ATOM 942 NE ARG A 60 -0.349 -7.546 -13.578 1.00 0.00 N ATOM 943 CZ ARG A 60 -1.133 -8.148 -12.691 1.00 0.00 C ATOM 944 NH1 ARG A 60 -0.624 -9.029 -11.841 1.00 0.00 N ATOM 945 NH2 ARG A 60 -2.430 -7.869 -12.652 1.00 0.00 N ATOM 0 H ARG A 60 2.146 -5.219 -10.927 1.00 0.00 H new ATOM 0 HA ARG A 60 3.134 -7.491 -9.519 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.348 -8.691 -11.570 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.129 -7.659 -10.847 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.378 -5.993 -12.555 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.861 -6.713 -13.149 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.413 -7.586 -14.707 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.287 -8.848 -13.498 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.772 -6.874 -14.218 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.372 -9.246 -11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.229 -9.490 -11.161 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.826 -7.192 -13.304 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.031 -8.332 -11.970 1.00 0.00 H new ATOM 959 N ASN A 61 4.954 -6.245 -11.924 1.00 0.00 N ATOM 960 CA ASN A 61 6.253 -6.317 -12.581 1.00 0.00 C ATOM 961 C ASN A 61 7.384 -6.126 -11.574 1.00 0.00 C ATOM 962 O ASN A 61 8.394 -6.826 -11.619 1.00 0.00 O ATOM 963 CB ASN A 61 6.351 -5.258 -13.681 1.00 0.00 C ATOM 964 CG ASN A 61 5.714 -5.713 -14.980 1.00 0.00 C ATOM 965 OD1 ASN A 61 6.362 -6.343 -15.815 1.00 0.00 O ATOM 966 ND2 ASN A 61 4.437 -5.393 -15.156 1.00 0.00 N ATOM 0 H ASN A 61 4.420 -5.403 -12.137 1.00 0.00 H new ATOM 0 HA ASN A 61 6.351 -7.306 -13.028 1.00 0.00 H new ATOM 0 HB2 ASN A 61 5.867 -4.342 -13.344 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.399 -5.018 -13.858 1.00 0.00 H new ATOM 0 HD21 ASN A 61 3.955 -5.671 -16.011 1.00 0.00 H new ATOM 0 HD22 ASN A 61 3.939 -4.869 -14.436 1.00 0.00 H new ATOM 973 N GLY A 62 7.205 -5.172 -10.665 1.00 0.00 N ATOM 974 CA GLY A 62 8.217 -4.906 -9.660 1.00 0.00 C ATOM 975 C GLY A 62 8.509 -3.427 -9.508 1.00 0.00 C ATOM 976 O GLY A 62 9.617 -3.040 -9.135 1.00 0.00 O ATOM 0 H GLY A 62 6.377 -4.579 -10.607 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.888 -5.308 -8.702 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.135 -5.429 -9.927 1.00 0.00 H new ATOM 980 N HIS A 63 7.513 -2.596 -9.800 1.00 0.00 N ATOM 981 CA HIS A 63 7.669 -1.149 -9.695 1.00 0.00 C ATOM 982 C HIS A 63 6.894 -0.605 -8.498 1.00 0.00 C ATOM 983 O HIS A 63 6.070 -1.305 -7.911 1.00 0.00 O ATOM 984 CB HIS A 63 7.192 -0.469 -10.978 1.00 0.00 C ATOM 985 CG HIS A 63 7.599 -1.191 -12.226 1.00 0.00 C ATOM 986 ND1 HIS A 63 7.065 -0.911 -13.466 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.496 -2.185 -12.420 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.615 -1.703 -14.369 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.487 -2.486 -13.760 1.00 0.00 N ATOM 0 H HIS A 63 6.590 -2.899 -10.111 1.00 0.00 H new ATOM 0 HA HIS A 63 8.727 -0.932 -9.550 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.105 -0.387 -10.954 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.588 0.546 -11.010 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.106 -2.654 -11.662 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.390 -1.709 -15.425 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.061 -3.198 -14.211 1.00 0.00 H new ATOM 998 N GLU A 64 7.166 0.647 -8.144 1.00 0.00 N ATOM 999 CA GLU A 64 6.495 1.284 -7.016 1.00 0.00 C ATOM 1000 C GLU A 64 6.652 2.800 -7.075 1.00 0.00 C ATOM 1001 O GLU A 64 7.439 3.324 -7.862 1.00 0.00 O ATOM 1002 CB GLU A 64 7.055 0.753 -5.695 1.00 0.00 C ATOM 1003 CG GLU A 64 8.552 0.492 -5.729 1.00 0.00 C ATOM 1004 CD GLU A 64 9.368 1.744 -5.472 1.00 0.00 C ATOM 1005 OE1 GLU A 64 9.054 2.469 -4.505 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.321 1.997 -6.237 1.00 0.00 O ATOM 0 H GLU A 64 7.845 1.240 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 64 5.433 1.044 -7.075 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.838 1.470 -4.904 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.539 -0.172 -5.437 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.803 -0.261 -4.982 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.823 0.079 -6.701 1.00 0.00 H new ATOM 1013 N GLY A 65 5.895 3.501 -6.236 1.00 0.00 N ATOM 1014 CA GLY A 65 5.964 4.951 -6.208 1.00 0.00 C ATOM 1015 C GLY A 65 4.762 5.575 -5.528 1.00 0.00 C ATOM 1016 O GLY A 65 3.786 4.890 -5.225 1.00 0.00 O ATOM 0 H GLY A 65 5.235 3.091 -5.575 1.00 0.00 H new ATOM 0 HA2 GLY A 65 6.872 5.259 -5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.037 5.328 -7.228 1.00 0.00 H new ATOM 1020 N TYR A 66 4.834 6.879 -5.285 1.00 0.00 N ATOM 1021 CA TYR A 66 3.745 7.596 -4.632 1.00 0.00 C ATOM 1022 C TYR A 66 2.590 7.832 -5.600 1.00 0.00 C ATOM 1023 O TYR A 66 2.731 8.549 -6.591 1.00 0.00 O ATOM 1024 CB TYR A 66 4.244 8.933 -4.081 1.00 0.00 C ATOM 1025 CG TYR A 66 5.108 8.794 -2.848 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.729 7.966 -1.799 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.304 9.492 -2.731 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.514 7.837 -0.670 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.097 9.368 -1.606 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.698 8.539 -0.578 1.00 0.00 C ATOM 1031 OH TYR A 66 7.484 8.414 0.544 1.00 0.00 O ATOM 0 H TYR A 66 5.635 7.461 -5.530 1.00 0.00 H new ATOM 0 HA TYR A 66 3.384 6.982 -3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.812 9.447 -4.857 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.386 9.562 -3.844 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.804 7.413 -1.868 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.619 10.143 -3.533 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.203 7.190 0.137 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.024 9.917 -1.532 1.00 0.00 H new ATOM 0 HH TYR A 66 8.282 8.974 0.448 1.00 0.00 H new ATOM 1041 N VAL A 67 1.445 7.223 -5.305 1.00 0.00 N ATOM 1042 CA VAL A 67 0.264 7.367 -6.147 1.00 0.00 C ATOM 1043 C VAL A 67 -0.938 7.832 -5.333 1.00 0.00 C ATOM 1044 O VAL A 67 -1.029 7.600 -4.127 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.088 6.044 -6.852 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.870 5.781 -8.004 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.071 4.891 -5.859 1.00 0.00 C ATOM 0 H VAL A 67 1.311 6.626 -4.489 1.00 0.00 H new ATOM 0 HA VAL A 67 0.502 8.119 -6.900 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.095 6.127 -7.261 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.606 4.842 -8.490 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.803 6.595 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.889 5.718 -7.623 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.322 3.964 -6.374 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.922 4.804 -5.419 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.801 5.078 -5.072 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.884 8.504 -6.005 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.099 9.015 -5.364 1.00 0.00 C ATOM 1059 C PRO A 68 -4.050 7.897 -4.949 1.00 0.00 C ATOM 1060 O PRO A 68 -4.623 7.211 -5.795 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.737 9.883 -6.452 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.229 9.317 -7.733 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.841 8.817 -7.444 1.00 0.00 C ATOM 0 HA PRO A 68 -2.877 9.556 -4.444 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.825 9.841 -6.405 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.453 10.929 -6.341 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.870 8.508 -8.083 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.215 10.075 -8.516 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.599 7.937 -8.040 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.087 9.571 -7.669 1.00 0.00 H new ATOM 1071 N SER A 69 -4.213 7.720 -3.642 1.00 0.00 N ATOM 1072 CA SER A 69 -5.092 6.683 -3.115 1.00 0.00 C ATOM 1073 C SER A 69 -6.447 6.712 -3.815 1.00 0.00 C ATOM 1074 O SER A 69 -7.161 5.710 -3.850 1.00 0.00 O ATOM 1075 CB SER A 69 -5.280 6.862 -1.607 1.00 0.00 C ATOM 1076 OG SER A 69 -6.032 8.028 -1.322 1.00 0.00 O ATOM 0 H SER A 69 -3.748 8.281 -2.929 1.00 0.00 H new ATOM 0 HA SER A 69 -4.626 5.716 -3.304 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.786 5.989 -1.194 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.306 6.925 -1.121 1.00 0.00 H new ATOM 0 HG SER A 69 -5.617 8.511 -0.577 1.00 0.00 H new ATOM 1082 N SER A 70 -6.794 7.868 -4.371 1.00 0.00 N ATOM 1083 CA SER A 70 -8.065 8.030 -5.067 1.00 0.00 C ATOM 1084 C SER A 70 -8.214 6.992 -6.175 1.00 0.00 C ATOM 1085 O SER A 70 -9.279 6.398 -6.346 1.00 0.00 O ATOM 1086 CB SER A 70 -8.173 9.439 -5.655 1.00 0.00 C ATOM 1087 OG SER A 70 -8.641 10.361 -4.687 1.00 0.00 O ATOM 0 H SER A 70 -6.213 8.706 -4.353 1.00 0.00 H new ATOM 0 HA SER A 70 -8.868 7.883 -4.344 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.198 9.758 -6.024 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.850 9.429 -6.509 1.00 0.00 H new ATOM 0 HG SER A 70 -8.700 11.254 -5.087 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.138 6.778 -6.925 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.149 5.814 -8.019 1.00 0.00 C ATOM 1095 C TYR A 71 -7.248 4.387 -7.486 1.00 0.00 C ATOM 1096 O TYR A 71 -8.004 3.568 -8.009 1.00 0.00 O ATOM 1097 CB TYR A 71 -5.888 5.965 -8.872 1.00 0.00 C ATOM 1098 CG TYR A 71 -5.897 7.194 -9.752 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.212 8.443 -9.232 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.591 7.106 -11.105 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.222 9.569 -10.032 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.597 8.227 -11.912 1.00 0.00 C ATOM 1103 CZ TYR A 71 -5.913 9.456 -11.372 1.00 0.00 C ATOM 1104 OH TYR A 71 -5.922 10.574 -12.174 1.00 0.00 O ATOM 0 H TYR A 71 -6.248 7.259 -6.795 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.024 6.014 -8.637 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.018 6.004 -8.216 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.775 5.080 -9.499 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.453 8.535 -8.183 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.344 6.145 -11.532 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.470 10.532 -9.611 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.355 8.141 -12.961 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.681 10.322 -13.090 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.479 4.098 -6.442 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.479 2.771 -5.836 1.00 0.00 C ATOM 1116 C LEU A 72 -7.813 2.483 -5.155 1.00 0.00 C ATOM 1117 O LEU A 72 -8.478 3.393 -4.659 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.340 2.652 -4.822 1.00 0.00 C ATOM 1119 CG LEU A 72 -3.923 2.694 -5.396 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.895 2.755 -4.277 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.673 1.487 -6.289 1.00 0.00 C ATOM 0 H LEU A 72 -5.848 4.765 -5.998 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.331 2.037 -6.628 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.441 3.459 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.462 1.716 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.823 3.595 -6.001 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.893 2.784 -4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.061 3.651 -3.679 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.994 1.873 -3.644 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.660 1.534 -6.689 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.792 0.573 -5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.388 1.489 -7.112 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.199 1.212 -5.134 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.452 0.803 -4.510 1.00 0.00 C ATOM 1135 C VAL A 73 -9.343 -0.600 -3.925 1.00 0.00 C ATOM 1136 O VAL A 73 -8.818 -1.511 -4.565 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.617 0.838 -5.517 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.508 2.059 -6.418 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.648 -0.441 -6.340 1.00 0.00 C ATOM 0 H VAL A 73 -7.662 0.447 -5.542 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.653 1.513 -3.708 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.552 0.909 -4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.340 2.067 -7.123 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.539 2.963 -5.810 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.567 2.023 -6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.477 -0.399 -7.046 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.711 -0.545 -6.887 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.778 -1.297 -5.678 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.843 -0.767 -2.705 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.801 -2.061 -2.033 1.00 0.00 C ATOM 1151 C GLU A 74 -10.656 -3.086 -2.773 1.00 0.00 C ATOM 1152 O GLU A 74 -11.866 -2.913 -2.921 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.285 -1.926 -0.588 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.711 -2.978 0.347 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.614 -3.262 1.531 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -11.226 -2.306 2.052 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.709 -4.439 1.937 1.00 0.00 O ATOM 0 H GLU A 74 -10.282 -0.023 -2.162 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.768 -2.408 -2.032 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.019 -0.937 -0.215 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.373 -1.991 -0.570 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.546 -3.901 -0.209 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.738 -2.645 0.709 1.00 0.00 H new ATOM 1164 N LYS A 75 -10.018 -4.155 -3.237 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.717 -5.210 -3.961 1.00 0.00 C ATOM 1166 C LYS A 75 -12.051 -5.535 -3.296 1.00 0.00 C ATOM 1167 O LYS A 75 -12.090 -6.013 -2.163 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.851 -6.470 -4.032 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.438 -7.564 -4.906 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.006 -7.412 -6.355 1.00 0.00 C ATOM 1171 CE LYS A 75 -10.072 -8.738 -7.098 1.00 0.00 C ATOM 1172 NZ LYS A 75 -11.464 -9.077 -7.504 1.00 0.00 N ATOM 0 H LYS A 75 -9.017 -4.314 -3.124 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.912 -4.853 -4.972 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.865 -6.202 -4.413 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.708 -6.860 -3.024 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.123 -8.538 -4.532 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.526 -7.535 -4.845 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.646 -6.683 -6.852 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.989 -7.022 -6.394 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.437 -8.691 -7.983 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.676 -9.530 -6.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -11.467 -9.987 -8.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.065 -9.147 -6.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -11.834 -8.334 -8.131 1.00 0.00 H new