USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 690 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 Set 1.1: A 40 TYR OH : rot 6:sc= 0.723 USER MOD Set 1.2: A 74 THR OG1 : rot -127:sc= 1.25 USER MOD Single : A 0 MET CE :methyl -145:sc= -0.137 (180deg=-0.618) USER MOD Single : A 0 MET N :NH3+ -175:sc= 0 (180deg=-0.0139) USER MOD Single : A 1 MET CE :methyl -166:sc= -0.0913 (180deg=-0.434) USER MOD Single : A 3 LYS NZ :NH3+ 166:sc= -0.0732 (180deg=-0.323) USER MOD Single : A 5 THR OG1 : rot -169:sc= 1.01 USER MOD Single : A 11 GLN : amide:sc= -1.28! K(o=-1.3!,f=-0.58) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 133:sc= -0.0283 (180deg=-0.534) USER MOD Single : A 18 GLN : amide:sc= -0.16 K(o=-0.16,f=-0.82) USER MOD Single : A 21 THR OG1 : rot 180:sc= -1.43! USER MOD Single : A 24 MET CE :methyl 172:sc= -0.0264 (180deg=-0.144) USER MOD Single : A 25 CYS SG : rot 106:sc= -0.135 USER MOD Single : A 33 ASN : amide:sc= 0.325 X(o=0.33,f=0) USER MOD Single : A 37 SER OG : rot -25:sc= 0.412 USER MOD Single : A 42 MET CE :methyl -161:sc= -1.01 (180deg=-2.12!) USER MOD Single : A 48 THR OG1 : rot 74:sc= -0.238! USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 45:sc= 0.222 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -70:sc= 1.11 USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.77) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 HIS : no HD1:sc=-0.00932 X(o=-0.0093,f=0) USER MOD Single : A 92 ASN : amide:sc= -0.821 X(o=-0.82,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 295 N MET A 0 96.592 10.394 -2.954 1.00 0.00 N ATOM 296 CA MET A 0 96.770 9.018 -2.523 1.00 0.00 C ATOM 297 C MET A 0 96.327 8.067 -3.622 1.00 0.00 C ATOM 298 O MET A 0 95.237 8.206 -4.177 1.00 0.00 O ATOM 299 CB MET A 0 95.987 8.737 -1.237 1.00 0.00 C ATOM 300 CG MET A 0 96.574 9.405 -0.004 1.00 0.00 C ATOM 301 SD MET A 0 98.227 8.801 0.396 1.00 0.00 S ATOM 302 CE MET A 0 97.889 7.078 0.758 1.00 0.00 C ATOM 0 H1 MET A 0 96.975 11.036 -2.232 1.00 0.00 H new ATOM 0 H2 MET A 0 97.094 10.544 -3.852 1.00 0.00 H new ATOM 0 H3 MET A 0 95.579 10.588 -3.087 1.00 0.00 H new ATOM 0 HA MET A 0 97.829 8.860 -2.317 1.00 0.00 H new ATOM 0 HB2 MET A 0 94.959 9.075 -1.367 1.00 0.00 H new ATOM 0 HB3 MET A 0 95.950 7.660 -1.073 1.00 0.00 H new ATOM 0 HG2 MET A 0 96.614 10.482 -0.164 1.00 0.00 H new ATOM 0 HG3 MET A 0 95.914 9.234 0.846 1.00 0.00 H new ATOM 0 HE1 MET A 0 98.550 6.737 1.555 1.00 0.00 H new ATOM 0 HE2 MET A 0 96.852 6.970 1.076 1.00 0.00 H new ATOM 0 HE3 MET A 0 98.059 6.478 -0.136 1.00 0.00 H new ATOM 312 N MET A 1 97.173 7.099 -3.925 1.00 0.00 N ATOM 313 CA MET A 1 96.898 6.156 -5.002 1.00 0.00 C ATOM 314 C MET A 1 96.267 4.879 -4.466 1.00 0.00 C ATOM 315 O MET A 1 96.324 3.831 -5.109 1.00 0.00 O ATOM 316 CB MET A 1 98.176 5.825 -5.777 1.00 0.00 C ATOM 317 CG MET A 1 98.705 6.980 -6.612 1.00 0.00 C ATOM 318 SD MET A 1 97.466 7.648 -7.744 1.00 0.00 S ATOM 319 CE MET A 1 96.996 6.180 -8.658 1.00 0.00 C ATOM 0 H MET A 1 98.058 6.942 -3.442 1.00 0.00 H new ATOM 0 HA MET A 1 96.190 6.631 -5.682 1.00 0.00 H new ATOM 0 HB2 MET A 1 98.947 5.516 -5.072 1.00 0.00 H new ATOM 0 HB3 MET A 1 97.983 4.975 -6.431 1.00 0.00 H new ATOM 0 HG2 MET A 1 99.051 7.773 -5.949 1.00 0.00 H new ATOM 0 HG3 MET A 1 99.570 6.643 -7.184 1.00 0.00 H new ATOM 0 HE1 MET A 1 96.434 6.469 -9.546 1.00 0.00 H new ATOM 0 HE2 MET A 1 97.892 5.635 -8.957 1.00 0.00 H new ATOM 0 HE3 MET A 1 96.377 5.542 -8.028 1.00 0.00 H new ATOM 329 N PHE A 2 95.669 4.970 -3.290 1.00 0.00 N ATOM 330 CA PHE A 2 94.954 3.846 -2.715 1.00 0.00 C ATOM 331 C PHE A 2 93.657 3.625 -3.488 1.00 0.00 C ATOM 332 O PHE A 2 92.741 4.446 -3.435 1.00 0.00 O ATOM 333 CB PHE A 2 94.666 4.092 -1.231 1.00 0.00 C ATOM 334 CG PHE A 2 93.960 2.950 -0.561 1.00 0.00 C ATOM 335 CD1 PHE A 2 94.646 1.793 -0.235 1.00 0.00 C ATOM 336 CD2 PHE A 2 92.611 3.035 -0.260 1.00 0.00 C ATOM 337 CE1 PHE A 2 93.999 0.740 0.379 1.00 0.00 C ATOM 338 CE2 PHE A 2 91.959 1.985 0.354 1.00 0.00 C ATOM 339 CZ PHE A 2 92.654 0.836 0.673 1.00 0.00 C ATOM 0 H PHE A 2 95.665 5.812 -2.715 1.00 0.00 H new ATOM 0 HA PHE A 2 95.571 2.951 -2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 2 95.606 4.282 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE A 2 94.060 4.992 -1.131 1.00 0.00 H new ATOM 0 HD1 PHE A 2 95.699 1.713 -0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 2 92.064 3.932 -0.508 1.00 0.00 H new ATOM 0 HE1 PHE A 2 94.544 -0.158 0.629 1.00 0.00 H new ATOM 0 HE2 PHE A 2 90.907 2.062 0.584 1.00 0.00 H new ATOM 0 HZ PHE A 2 92.146 0.013 1.152 1.00 0.00 H new ATOM 349 N LYS A 3 93.596 2.526 -4.220 1.00 0.00 N ATOM 350 CA LYS A 3 92.456 2.242 -5.070 1.00 0.00 C ATOM 351 C LYS A 3 91.448 1.362 -4.348 1.00 0.00 C ATOM 352 O LYS A 3 91.658 0.162 -4.179 1.00 0.00 O ATOM 353 CB LYS A 3 92.909 1.570 -6.367 1.00 0.00 C ATOM 354 CG LYS A 3 91.761 1.219 -7.297 1.00 0.00 C ATOM 355 CD LYS A 3 92.253 0.568 -8.575 1.00 0.00 C ATOM 356 CE LYS A 3 91.096 0.186 -9.483 1.00 0.00 C ATOM 357 NZ LYS A 3 90.245 1.357 -9.820 1.00 0.00 N ATOM 0 H LYS A 3 94.326 1.814 -4.242 1.00 0.00 H new ATOM 0 HA LYS A 3 91.973 3.188 -5.315 1.00 0.00 H new ATOM 0 HB2 LYS A 3 93.600 2.232 -6.889 1.00 0.00 H new ATOM 0 HB3 LYS A 3 93.460 0.662 -6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 3 91.073 0.545 -6.787 1.00 0.00 H new ATOM 0 HG3 LYS A 3 91.201 2.122 -7.541 1.00 0.00 H new ATOM 0 HD2 LYS A 3 92.919 1.252 -9.100 1.00 0.00 H new ATOM 0 HD3 LYS A 3 92.835 -0.321 -8.332 1.00 0.00 H new ATOM 0 HE2 LYS A 3 91.485 -0.256 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 3 90.488 -0.576 -8.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 89.620 1.114 -10.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 89.670 1.617 -8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 90.849 2.160 -10.088 1.00 0.00 H new ATOM 371 N LEU A 4 90.363 1.971 -3.913 1.00 0.00 N ATOM 372 CA LEU A 4 89.284 1.244 -3.273 1.00 0.00 C ATOM 373 C LEU A 4 88.121 1.127 -4.251 1.00 0.00 C ATOM 374 O LEU A 4 87.717 2.120 -4.858 1.00 0.00 O ATOM 375 CB LEU A 4 88.840 1.983 -2.002 1.00 0.00 C ATOM 376 CG LEU A 4 88.424 1.099 -0.818 1.00 0.00 C ATOM 377 CD1 LEU A 4 88.062 1.961 0.382 1.00 0.00 C ATOM 378 CD2 LEU A 4 87.259 0.193 -1.183 1.00 0.00 C ATOM 0 H LEU A 4 90.204 2.976 -3.992 1.00 0.00 H new ATOM 0 HA LEU A 4 89.623 0.247 -2.992 1.00 0.00 H new ATOM 0 HB2 LEU A 4 89.656 2.629 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 4 88.002 2.632 -2.257 1.00 0.00 H new ATOM 0 HG LEU A 4 89.273 0.466 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 4 87.769 1.321 1.214 1.00 0.00 H new ATOM 0 HD12 LEU A 4 88.924 2.562 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 4 87.233 2.619 0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 4 86.990 -0.419 -0.322 1.00 0.00 H new ATOM 0 HD22 LEU A 4 86.403 0.801 -1.477 1.00 0.00 H new ATOM 0 HD23 LEU A 4 87.547 -0.454 -2.012 1.00 0.00 H new ATOM 390 N THR A 5 87.605 -0.079 -4.436 1.00 0.00 N ATOM 391 CA THR A 5 86.447 -0.268 -5.290 1.00 0.00 C ATOM 392 C THR A 5 85.181 0.192 -4.571 1.00 0.00 C ATOM 393 O THR A 5 84.950 -0.169 -3.416 1.00 0.00 O ATOM 394 CB THR A 5 86.297 -1.738 -5.743 1.00 0.00 C ATOM 395 OG1 THR A 5 86.343 -2.621 -4.614 1.00 0.00 O ATOM 396 CG2 THR A 5 87.395 -2.112 -6.729 1.00 0.00 C ATOM 0 H THR A 5 87.967 -0.932 -4.010 1.00 0.00 H new ATOM 0 HA THR A 5 86.597 0.338 -6.184 1.00 0.00 H new ATOM 0 HB THR A 5 85.330 -1.840 -6.235 1.00 0.00 H new ATOM 0 HG1 THR A 5 86.423 -3.547 -4.926 1.00 0.00 H new ATOM 0 HG21 THR A 5 87.271 -3.151 -7.035 1.00 0.00 H new ATOM 0 HG22 THR A 5 87.333 -1.466 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 5 88.368 -1.988 -6.254 1.00 0.00 H new ATOM 404 N PRO A 6 84.362 1.026 -5.233 1.00 0.00 N ATOM 405 CA PRO A 6 83.120 1.559 -4.653 1.00 0.00 C ATOM 406 C PRO A 6 82.218 0.467 -4.082 1.00 0.00 C ATOM 407 O PRO A 6 81.517 0.683 -3.091 1.00 0.00 O ATOM 408 CB PRO A 6 82.445 2.252 -5.836 1.00 0.00 C ATOM 409 CG PRO A 6 83.570 2.629 -6.733 1.00 0.00 C ATOM 410 CD PRO A 6 84.587 1.531 -6.599 1.00 0.00 C ATOM 0 HA PRO A 6 83.319 2.221 -3.810 1.00 0.00 H new ATOM 0 HB2 PRO A 6 81.742 1.587 -6.338 1.00 0.00 H new ATOM 0 HB3 PRO A 6 81.882 3.128 -5.515 1.00 0.00 H new ATOM 0 HG2 PRO A 6 83.232 2.725 -7.765 1.00 0.00 H new ATOM 0 HG3 PRO A 6 83.994 3.591 -6.446 1.00 0.00 H new ATOM 0 HD2 PRO A 6 84.438 0.751 -7.346 1.00 0.00 H new ATOM 0 HD3 PRO A 6 85.603 1.905 -6.727 1.00 0.00 H new ATOM 418 N ALA A 7 82.246 -0.709 -4.702 1.00 0.00 N ATOM 419 CA ALA A 7 81.471 -1.844 -4.222 1.00 0.00 C ATOM 420 C ALA A 7 81.935 -2.264 -2.830 1.00 0.00 C ATOM 421 O ALA A 7 81.121 -2.515 -1.943 1.00 0.00 O ATOM 422 CB ALA A 7 81.570 -3.009 -5.199 1.00 0.00 C ATOM 0 H ALA A 7 82.798 -0.899 -5.538 1.00 0.00 H new ATOM 0 HA ALA A 7 80.426 -1.542 -4.154 1.00 0.00 H new ATOM 0 HB1 ALA A 7 80.985 -3.849 -4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 7 81.184 -2.702 -6.171 1.00 0.00 H new ATOM 0 HB3 ALA A 7 82.612 -3.310 -5.301 1.00 0.00 H new ATOM 428 N ALA A 8 83.249 -2.313 -2.640 1.00 0.00 N ATOM 429 CA ALA A 8 83.819 -2.677 -1.351 1.00 0.00 C ATOM 430 C ALA A 8 83.643 -1.544 -0.353 1.00 0.00 C ATOM 431 O ALA A 8 83.392 -1.774 0.830 1.00 0.00 O ATOM 432 CB ALA A 8 85.291 -3.029 -1.500 1.00 0.00 C ATOM 0 H ALA A 8 83.938 -2.105 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 8 83.291 -3.553 -0.976 1.00 0.00 H new ATOM 0 HB1 ALA A 8 85.701 -3.299 -0.527 1.00 0.00 H new ATOM 0 HB2 ALA A 8 85.396 -3.871 -2.184 1.00 0.00 H new ATOM 0 HB3 ALA A 8 85.832 -2.170 -1.896 1.00 0.00 H new ATOM 438 N ALA A 9 83.763 -0.318 -0.850 1.00 0.00 N ATOM 439 CA ALA A 9 83.606 0.871 -0.026 1.00 0.00 C ATOM 440 C ALA A 9 82.232 0.902 0.635 1.00 0.00 C ATOM 441 O ALA A 9 82.111 1.216 1.818 1.00 0.00 O ATOM 442 CB ALA A 9 83.821 2.124 -0.864 1.00 0.00 C ATOM 0 H ALA A 9 83.971 -0.123 -1.829 1.00 0.00 H new ATOM 0 HA ALA A 9 84.358 0.841 0.762 1.00 0.00 H new ATOM 0 HB1 ALA A 9 83.701 3.007 -0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 9 84.826 2.112 -1.285 1.00 0.00 H new ATOM 0 HB3 ALA A 9 83.090 2.151 -1.672 1.00 0.00 H new ATOM 448 N GLU A 10 81.205 0.554 -0.131 1.00 0.00 N ATOM 449 CA GLU A 10 79.840 0.529 0.379 1.00 0.00 C ATOM 450 C GLU A 10 79.657 -0.538 1.451 1.00 0.00 C ATOM 451 O GLU A 10 78.874 -0.354 2.385 1.00 0.00 O ATOM 452 CB GLU A 10 78.854 0.315 -0.765 1.00 0.00 C ATOM 453 CG GLU A 10 78.411 1.613 -1.411 1.00 0.00 C ATOM 454 CD GLU A 10 77.373 2.340 -0.582 1.00 0.00 C ATOM 455 OE1 GLU A 10 77.735 2.909 0.467 1.00 0.00 O ATOM 456 OE2 GLU A 10 76.187 2.340 -0.975 1.00 0.00 O ATOM 0 H GLU A 10 81.292 0.284 -1.111 1.00 0.00 H new ATOM 0 HA GLU A 10 79.641 1.495 0.844 1.00 0.00 H new ATOM 0 HB2 GLU A 10 79.314 -0.323 -1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 10 77.979 -0.216 -0.390 1.00 0.00 H new ATOM 0 HG2 GLU A 10 79.277 2.259 -1.554 1.00 0.00 H new ATOM 0 HG3 GLU A 10 78.002 1.404 -2.400 1.00 0.00 H new ATOM 463 N GLN A 11 80.380 -1.645 1.330 1.00 0.00 N ATOM 464 CA GLN A 11 80.317 -2.699 2.335 1.00 0.00 C ATOM 465 C GLN A 11 80.937 -2.209 3.639 1.00 0.00 C ATOM 466 O GLN A 11 80.361 -2.376 4.715 1.00 0.00 O ATOM 467 CB GLN A 11 81.033 -3.960 1.851 1.00 0.00 C ATOM 468 CG GLN A 11 80.890 -5.139 2.804 1.00 0.00 C ATOM 469 CD GLN A 11 81.639 -6.369 2.331 1.00 0.00 C ATOM 470 OE1 GLN A 11 81.816 -6.582 1.135 1.00 0.00 O ATOM 471 NE2 GLN A 11 82.080 -7.191 3.269 1.00 0.00 N ATOM 0 H GLN A 11 81.012 -1.835 0.552 1.00 0.00 H new ATOM 0 HA GLN A 11 79.270 -2.949 2.507 1.00 0.00 H new ATOM 0 HB2 GLN A 11 80.638 -4.241 0.875 1.00 0.00 H new ATOM 0 HB3 GLN A 11 82.092 -3.738 1.715 1.00 0.00 H new ATOM 0 HG2 GLN A 11 81.258 -4.851 3.789 1.00 0.00 H new ATOM 0 HG3 GLN A 11 79.834 -5.383 2.917 1.00 0.00 H new ATOM 0 HE21 GLN A 11 81.913 -6.979 4.253 1.00 0.00 H new ATOM 0 HE22 GLN A 11 82.587 -8.037 3.009 1.00 0.00 H new ATOM 480 N VAL A 12 82.107 -1.587 3.528 1.00 0.00 N ATOM 481 CA VAL A 12 82.790 -1.016 4.683 1.00 0.00 C ATOM 482 C VAL A 12 81.937 0.079 5.316 1.00 0.00 C ATOM 483 O VAL A 12 81.788 0.143 6.538 1.00 0.00 O ATOM 484 CB VAL A 12 84.166 -0.430 4.289 1.00 0.00 C ATOM 485 CG1 VAL A 12 84.872 0.160 5.500 1.00 0.00 C ATOM 486 CG2 VAL A 12 85.035 -1.492 3.635 1.00 0.00 C ATOM 0 H VAL A 12 82.603 -1.466 2.645 1.00 0.00 H new ATOM 0 HA VAL A 12 82.947 -1.819 5.403 1.00 0.00 H new ATOM 0 HB VAL A 12 83.996 0.370 3.569 1.00 0.00 H new ATOM 0 HG11 VAL A 12 85.837 0.566 5.197 1.00 0.00 H new ATOM 0 HG12 VAL A 12 84.261 0.956 5.925 1.00 0.00 H new ATOM 0 HG13 VAL A 12 85.024 -0.619 6.247 1.00 0.00 H new ATOM 0 HG21 VAL A 12 85.998 -1.059 3.366 1.00 0.00 H new ATOM 0 HG22 VAL A 12 85.190 -2.316 4.332 1.00 0.00 H new ATOM 0 HG23 VAL A 12 84.541 -1.864 2.738 1.00 0.00 H new ATOM 496 N LEU A 13 81.364 0.925 4.470 1.00 0.00 N ATOM 497 CA LEU A 13 80.507 2.011 4.923 1.00 0.00 C ATOM 498 C LEU A 13 79.298 1.457 5.671 1.00 0.00 C ATOM 499 O LEU A 13 78.917 1.966 6.723 1.00 0.00 O ATOM 500 CB LEU A 13 80.035 2.843 3.728 1.00 0.00 C ATOM 501 CG LEU A 13 79.423 4.200 4.078 1.00 0.00 C ATOM 502 CD1 LEU A 13 80.503 5.163 4.531 1.00 0.00 C ATOM 503 CD2 LEU A 13 78.669 4.773 2.892 1.00 0.00 C ATOM 0 H LEU A 13 81.479 0.878 3.458 1.00 0.00 H new ATOM 0 HA LEU A 13 81.081 2.645 5.598 1.00 0.00 H new ATOM 0 HB2 LEU A 13 80.883 3.006 3.062 1.00 0.00 H new ATOM 0 HB3 LEU A 13 79.299 2.264 3.171 1.00 0.00 H new ATOM 0 HG LEU A 13 78.716 4.056 4.895 1.00 0.00 H new ATOM 0 HD11 LEU A 13 80.053 6.125 4.777 1.00 0.00 H new ATOM 0 HD12 LEU A 13 81.003 4.761 5.412 1.00 0.00 H new ATOM 0 HD13 LEU A 13 81.230 5.297 3.730 1.00 0.00 H new ATOM 0 HD21 LEU A 13 78.242 5.738 3.164 1.00 0.00 H new ATOM 0 HD22 LEU A 13 79.354 4.902 2.054 1.00 0.00 H new ATOM 0 HD23 LEU A 13 77.869 4.090 2.605 1.00 0.00 H new ATOM 515 N LYS A 14 78.713 0.397 5.121 1.00 0.00 N ATOM 516 CA LYS A 14 77.526 -0.223 5.699 1.00 0.00 C ATOM 517 C LYS A 14 77.851 -0.857 7.051 1.00 0.00 C ATOM 518 O LYS A 14 77.039 -0.818 7.977 1.00 0.00 O ATOM 519 CB LYS A 14 76.975 -1.277 4.736 1.00 0.00 C ATOM 520 CG LYS A 14 75.621 -1.837 5.135 1.00 0.00 C ATOM 521 CD LYS A 14 75.090 -2.790 4.076 1.00 0.00 C ATOM 522 CE LYS A 14 73.678 -3.250 4.391 1.00 0.00 C ATOM 523 NZ LYS A 14 73.103 -4.058 3.283 1.00 0.00 N ATOM 0 H LYS A 14 79.046 -0.053 4.268 1.00 0.00 H new ATOM 0 HA LYS A 14 76.770 0.546 5.859 1.00 0.00 H new ATOM 0 HB2 LYS A 14 76.895 -0.838 3.741 1.00 0.00 H new ATOM 0 HB3 LYS A 14 77.689 -2.098 4.666 1.00 0.00 H new ATOM 0 HG2 LYS A 14 75.706 -2.359 6.088 1.00 0.00 H new ATOM 0 HG3 LYS A 14 74.914 -1.020 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 14 75.104 -2.298 3.104 1.00 0.00 H new ATOM 0 HD3 LYS A 14 75.747 -3.656 4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 14 73.683 -3.840 5.307 1.00 0.00 H new ATOM 0 HE3 LYS A 14 73.045 -2.382 4.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 72.138 -4.354 3.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 73.075 -3.486 2.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 73.693 -4.899 3.124 1.00 0.00 H new ATOM 537 N ALA A 15 79.046 -1.429 7.154 1.00 0.00 N ATOM 538 CA ALA A 15 79.502 -2.045 8.396 1.00 0.00 C ATOM 539 C ALA A 15 79.585 -1.012 9.512 1.00 0.00 C ATOM 540 O ALA A 15 79.176 -1.271 10.643 1.00 0.00 O ATOM 541 CB ALA A 15 80.852 -2.719 8.194 1.00 0.00 C ATOM 0 H ALA A 15 79.719 -1.479 6.389 1.00 0.00 H new ATOM 0 HA ALA A 15 78.776 -2.804 8.686 1.00 0.00 H new ATOM 0 HB1 ALA A 15 81.176 -3.173 9.131 1.00 0.00 H new ATOM 0 HB2 ALA A 15 80.763 -3.490 7.429 1.00 0.00 H new ATOM 0 HB3 ALA A 15 81.585 -1.977 7.877 1.00 0.00 H new ATOM 547 N ALA A 16 80.105 0.164 9.187 1.00 0.00 N ATOM 548 CA ALA A 16 80.183 1.253 10.149 1.00 0.00 C ATOM 549 C ALA A 16 78.796 1.830 10.412 1.00 0.00 C ATOM 550 O ALA A 16 78.433 2.111 11.554 1.00 0.00 O ATOM 551 CB ALA A 16 81.126 2.339 9.651 1.00 0.00 C ATOM 0 H ALA A 16 80.479 0.387 8.265 1.00 0.00 H new ATOM 0 HA ALA A 16 80.577 0.859 11.086 1.00 0.00 H new ATOM 0 HB1 ALA A 16 81.172 3.145 10.383 1.00 0.00 H new ATOM 0 HB2 ALA A 16 82.122 1.919 9.510 1.00 0.00 H new ATOM 0 HB3 ALA A 16 80.760 2.731 8.702 1.00 0.00 H new ATOM 557 N LYS A 17 78.016 1.961 9.339 1.00 0.00 N ATOM 558 CA LYS A 17 76.671 2.531 9.397 1.00 0.00 C ATOM 559 C LYS A 17 75.753 1.730 10.322 1.00 0.00 C ATOM 560 O LYS A 17 74.720 2.232 10.772 1.00 0.00 O ATOM 561 CB LYS A 17 76.070 2.586 7.991 1.00 0.00 C ATOM 562 CG LYS A 17 74.673 3.172 7.947 1.00 0.00 C ATOM 563 CD LYS A 17 74.666 4.627 8.392 1.00 0.00 C ATOM 564 CE LYS A 17 73.253 5.147 8.588 1.00 0.00 C ATOM 565 NZ LYS A 17 72.524 4.392 9.643 1.00 0.00 N ATOM 0 H LYS A 17 78.301 1.674 8.403 1.00 0.00 H new ATOM 0 HA LYS A 17 76.755 3.539 9.803 1.00 0.00 H new ATOM 0 HB2 LYS A 17 76.723 3.178 7.350 1.00 0.00 H new ATOM 0 HB3 LYS A 17 76.045 1.578 7.577 1.00 0.00 H new ATOM 0 HG2 LYS A 17 74.278 3.098 6.934 1.00 0.00 H new ATOM 0 HG3 LYS A 17 74.013 2.590 8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 17 75.223 4.725 9.324 1.00 0.00 H new ATOM 0 HD3 LYS A 17 75.179 5.237 7.649 1.00 0.00 H new ATOM 0 HE2 LYS A 17 73.289 6.203 8.857 1.00 0.00 H new ATOM 0 HE3 LYS A 17 72.706 5.076 7.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 72.053 5.060 10.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 71.811 3.777 9.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 73.197 3.810 10.181 1.00 0.00 H new ATOM 579 N GLN A 18 76.120 0.479 10.581 1.00 0.00 N ATOM 580 CA GLN A 18 75.395 -0.352 11.544 1.00 0.00 C ATOM 581 C GLN A 18 75.235 0.368 12.886 1.00 0.00 C ATOM 582 O GLN A 18 74.272 0.126 13.611 1.00 0.00 O ATOM 583 CB GLN A 18 76.101 -1.694 11.749 1.00 0.00 C ATOM 584 CG GLN A 18 76.060 -2.603 10.530 1.00 0.00 C ATOM 585 CD GLN A 18 74.645 -2.954 10.105 1.00 0.00 C ATOM 586 OE1 GLN A 18 73.727 -3.011 10.926 1.00 0.00 O ATOM 587 NE2 GLN A 18 74.462 -3.197 8.817 1.00 0.00 N ATOM 0 H GLN A 18 76.914 0.016 10.139 1.00 0.00 H new ATOM 0 HA GLN A 18 74.403 -0.539 11.133 1.00 0.00 H new ATOM 0 HB2 GLN A 18 77.141 -1.509 12.018 1.00 0.00 H new ATOM 0 HB3 GLN A 18 75.641 -2.211 12.591 1.00 0.00 H new ATOM 0 HG2 GLN A 18 76.573 -2.115 9.701 1.00 0.00 H new ATOM 0 HG3 GLN A 18 76.607 -3.520 10.748 1.00 0.00 H new ATOM 0 HE21 GLN A 18 75.249 -3.139 8.170 1.00 0.00 H new ATOM 0 HE22 GLN A 18 73.534 -3.442 8.471 1.00 0.00 H new ATOM 596 N GLY A 19 76.178 1.250 13.215 1.00 0.00 N ATOM 597 CA GLY A 19 76.024 2.084 14.393 1.00 0.00 C ATOM 598 C GLY A 19 77.152 1.927 15.391 1.00 0.00 C ATOM 599 O GLY A 19 77.389 2.813 16.213 1.00 0.00 O ATOM 0 H GLY A 19 77.039 1.400 12.690 1.00 0.00 H new ATOM 0 HA2 GLY A 19 75.964 3.128 14.085 1.00 0.00 H new ATOM 0 HA3 GLY A 19 75.080 1.841 14.881 1.00 0.00 H new ATOM 603 N GLY A 20 77.862 0.812 15.313 1.00 0.00 N ATOM 604 CA GLY A 20 78.913 0.538 16.272 1.00 0.00 C ATOM 605 C GLY A 20 80.181 1.305 15.971 1.00 0.00 C ATOM 606 O GLY A 20 80.696 2.030 16.822 1.00 0.00 O ATOM 0 H GLY A 20 77.730 0.092 14.603 1.00 0.00 H new ATOM 0 HA2 GLY A 20 78.565 0.795 17.272 1.00 0.00 H new ATOM 0 HA3 GLY A 20 79.130 -0.530 16.275 1.00 0.00 H new ATOM 610 N THR A 21 80.673 1.167 14.750 1.00 0.00 N ATOM 611 CA THR A 21 81.918 1.805 14.350 1.00 0.00 C ATOM 612 C THR A 21 81.660 3.073 13.537 1.00 0.00 C ATOM 613 O THR A 21 82.570 3.618 12.911 1.00 0.00 O ATOM 614 CB THR A 21 82.787 0.829 13.534 1.00 0.00 C ATOM 615 OG1 THR A 21 81.978 0.147 12.567 1.00 0.00 O ATOM 616 CG2 THR A 21 83.464 -0.188 14.443 1.00 0.00 C ATOM 0 H THR A 21 80.227 0.617 14.016 1.00 0.00 H new ATOM 0 HA THR A 21 82.450 2.085 15.259 1.00 0.00 H new ATOM 0 HB THR A 21 83.559 1.405 13.024 1.00 0.00 H new ATOM 0 HG1 THR A 21 82.537 -0.471 12.050 1.00 0.00 H new ATOM 0 HG21 THR A 21 84.071 -0.865 13.843 1.00 0.00 H new ATOM 0 HG22 THR A 21 84.100 0.331 15.160 1.00 0.00 H new ATOM 0 HG23 THR A 21 82.706 -0.759 14.978 1.00 0.00 H new ATOM 624 N GLU A 22 80.420 3.554 13.579 1.00 0.00 N ATOM 625 CA GLU A 22 80.023 4.734 12.813 1.00 0.00 C ATOM 626 C GLU A 22 80.679 5.993 13.374 1.00 0.00 C ATOM 627 O GLU A 22 81.077 6.884 12.625 1.00 0.00 O ATOM 628 CB GLU A 22 78.504 4.897 12.829 1.00 0.00 C ATOM 629 CG GLU A 22 77.994 5.894 11.803 1.00 0.00 C ATOM 630 CD GLU A 22 76.531 6.224 11.993 1.00 0.00 C ATOM 631 OE1 GLU A 22 75.687 5.318 11.868 1.00 0.00 O ATOM 632 OE2 GLU A 22 76.218 7.396 12.287 1.00 0.00 O ATOM 0 H GLU A 22 79.671 3.144 14.137 1.00 0.00 H new ATOM 0 HA GLU A 22 80.357 4.592 11.785 1.00 0.00 H new ATOM 0 HB2 GLU A 22 78.040 3.928 12.645 1.00 0.00 H new ATOM 0 HB3 GLU A 22 78.191 5.217 13.823 1.00 0.00 H new ATOM 0 HG2 GLU A 22 78.581 6.810 11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 22 78.145 5.490 10.802 1.00 0.00 H new ATOM 639 N GLY A 23 80.787 6.058 14.696 1.00 0.00 N ATOM 640 CA GLY A 23 81.405 7.203 15.341 1.00 0.00 C ATOM 641 C GLY A 23 82.917 7.116 15.336 1.00 0.00 C ATOM 642 O GLY A 23 83.595 7.858 16.044 1.00 0.00 O ATOM 0 H GLY A 23 80.456 5.335 15.336 1.00 0.00 H new ATOM 0 HA2 GLY A 23 81.094 8.116 14.833 1.00 0.00 H new ATOM 0 HA3 GLY A 23 81.050 7.274 16.369 1.00 0.00 H new ATOM 646 N MET A 24 83.440 6.203 14.535 1.00 0.00 N ATOM 647 CA MET A 24 84.875 6.007 14.417 1.00 0.00 C ATOM 648 C MET A 24 85.296 6.284 12.981 1.00 0.00 C ATOM 649 O MET A 24 84.511 6.807 12.192 1.00 0.00 O ATOM 650 CB MET A 24 85.245 4.577 14.822 1.00 0.00 C ATOM 651 CG MET A 24 84.720 4.187 16.195 1.00 0.00 C ATOM 652 SD MET A 24 85.098 2.482 16.647 1.00 0.00 S ATOM 653 CE MET A 24 86.868 2.578 16.899 1.00 0.00 C ATOM 0 H MET A 24 82.884 5.579 13.950 1.00 0.00 H new ATOM 0 HA MET A 24 85.398 6.694 15.083 1.00 0.00 H new ATOM 0 HB2 MET A 24 84.852 3.883 14.079 1.00 0.00 H new ATOM 0 HB3 MET A 24 86.330 4.473 14.812 1.00 0.00 H new ATOM 0 HG2 MET A 24 85.146 4.856 16.942 1.00 0.00 H new ATOM 0 HG3 MET A 24 83.640 4.330 16.217 1.00 0.00 H new ATOM 0 HE1 MET A 24 87.227 1.639 17.320 1.00 0.00 H new ATOM 0 HE2 MET A 24 87.362 2.760 15.945 1.00 0.00 H new ATOM 0 HE3 MET A 24 87.094 3.393 17.586 1.00 0.00 H new ATOM 663 N CYS A 25 86.524 5.943 12.636 1.00 0.00 N ATOM 664 CA CYS A 25 87.004 6.167 11.286 1.00 0.00 C ATOM 665 C CYS A 25 87.750 4.938 10.786 1.00 0.00 C ATOM 666 O CYS A 25 88.343 4.199 11.580 1.00 0.00 O ATOM 667 CB CYS A 25 87.909 7.401 11.245 1.00 0.00 C ATOM 668 SG CYS A 25 88.320 7.968 9.579 1.00 0.00 S ATOM 0 H CYS A 25 87.202 5.514 13.266 1.00 0.00 H new ATOM 0 HA CYS A 25 86.151 6.344 10.631 1.00 0.00 H new ATOM 0 HB2 CYS A 25 87.420 8.214 11.782 1.00 0.00 H new ATOM 0 HB3 CYS A 25 88.833 7.177 11.778 1.00 0.00 H new ATOM 0 HG CYS A 25 87.658 9.056 9.315 1.00 0.00 H new ATOM 674 N LEU A 26 87.703 4.711 9.479 1.00 0.00 N ATOM 675 CA LEU A 26 88.404 3.591 8.878 1.00 0.00 C ATOM 676 C LEU A 26 89.904 3.833 8.942 1.00 0.00 C ATOM 677 O LEU A 26 90.419 4.781 8.351 1.00 0.00 O ATOM 678 CB LEU A 26 87.959 3.382 7.428 1.00 0.00 C ATOM 679 CG LEU A 26 88.609 2.192 6.715 1.00 0.00 C ATOM 680 CD1 LEU A 26 88.281 0.891 7.433 1.00 0.00 C ATOM 681 CD2 LEU A 26 88.156 2.127 5.266 1.00 0.00 C ATOM 0 H LEU A 26 87.186 5.290 8.817 1.00 0.00 H new ATOM 0 HA LEU A 26 88.162 2.687 9.437 1.00 0.00 H new ATOM 0 HB2 LEU A 26 86.877 3.249 7.412 1.00 0.00 H new ATOM 0 HB3 LEU A 26 88.177 4.288 6.863 1.00 0.00 H new ATOM 0 HG LEU A 26 89.690 2.331 6.734 1.00 0.00 H new ATOM 0 HD11 LEU A 26 88.752 0.058 6.911 1.00 0.00 H new ATOM 0 HD12 LEU A 26 88.655 0.936 8.456 1.00 0.00 H new ATOM 0 HD13 LEU A 26 87.201 0.746 7.447 1.00 0.00 H new ATOM 0 HD21 LEU A 26 88.628 1.276 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 26 87.073 2.013 5.228 1.00 0.00 H new ATOM 0 HD23 LEU A 26 88.442 3.046 4.754 1.00 0.00 H new ATOM 693 N ARG A 27 90.598 2.982 9.668 1.00 0.00 N ATOM 694 CA ARG A 27 92.017 3.158 9.890 1.00 0.00 C ATOM 695 C ARG A 27 92.776 1.971 9.321 1.00 0.00 C ATOM 696 O ARG A 27 92.513 0.823 9.678 1.00 0.00 O ATOM 697 CB ARG A 27 92.283 3.322 11.386 1.00 0.00 C ATOM 698 CG ARG A 27 93.696 3.760 11.725 1.00 0.00 C ATOM 699 CD ARG A 27 93.759 4.334 13.130 1.00 0.00 C ATOM 700 NE ARG A 27 95.106 4.762 13.499 1.00 0.00 N ATOM 701 CZ ARG A 27 95.642 5.930 13.144 1.00 0.00 C ATOM 702 NH1 ARG A 27 94.952 6.779 12.386 1.00 0.00 N ATOM 703 NH2 ARG A 27 96.866 6.244 13.551 1.00 0.00 N ATOM 0 H ARG A 27 90.199 2.157 10.117 1.00 0.00 H new ATOM 0 HA ARG A 27 92.364 4.057 9.380 1.00 0.00 H new ATOM 0 HB2 ARG A 27 91.582 4.053 11.790 1.00 0.00 H new ATOM 0 HB3 ARG A 27 92.079 2.375 11.885 1.00 0.00 H new ATOM 0 HG2 ARG A 27 94.375 2.911 11.643 1.00 0.00 H new ATOM 0 HG3 ARG A 27 94.032 4.507 11.006 1.00 0.00 H new ATOM 0 HD2 ARG A 27 93.079 5.182 13.203 1.00 0.00 H new ATOM 0 HD3 ARG A 27 93.412 3.585 13.841 1.00 0.00 H new ATOM 0 HE ARG A 27 95.672 4.128 14.063 1.00 0.00 H new ATOM 0 HH11 ARG A 27 94.011 6.537 12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 27 95.364 7.672 12.116 1.00 0.00 H new ATOM 0 HH21 ARG A 27 97.393 5.593 14.133 1.00 0.00 H new ATOM 0 HH22 ARG A 27 97.280 7.137 13.282 1.00 0.00 H new ATOM 717 N LEU A 28 93.694 2.251 8.416 1.00 0.00 N ATOM 718 CA LEU A 28 94.436 1.198 7.745 1.00 0.00 C ATOM 719 C LEU A 28 95.819 1.038 8.352 1.00 0.00 C ATOM 720 O LEU A 28 96.460 2.015 8.739 1.00 0.00 O ATOM 721 CB LEU A 28 94.559 1.500 6.250 1.00 0.00 C ATOM 722 CG LEU A 28 93.236 1.589 5.486 1.00 0.00 C ATOM 723 CD1 LEU A 28 93.489 1.902 4.020 1.00 0.00 C ATOM 724 CD2 LEU A 28 92.451 0.293 5.622 1.00 0.00 C ATOM 0 H LEU A 28 93.945 3.197 8.128 1.00 0.00 H new ATOM 0 HA LEU A 28 93.888 0.265 7.877 1.00 0.00 H new ATOM 0 HB2 LEU A 28 95.092 2.443 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 28 95.173 0.726 5.790 1.00 0.00 H new ATOM 0 HG LEU A 28 92.645 2.397 5.917 1.00 0.00 H new ATOM 0 HD11 LEU A 28 92.538 1.962 3.491 1.00 0.00 H new ATOM 0 HD12 LEU A 28 94.011 2.855 3.936 1.00 0.00 H new ATOM 0 HD13 LEU A 28 94.100 1.114 3.580 1.00 0.00 H new ATOM 0 HD21 LEU A 28 91.514 0.376 5.072 1.00 0.00 H new ATOM 0 HD22 LEU A 28 93.037 -0.532 5.217 1.00 0.00 H new ATOM 0 HD23 LEU A 28 92.239 0.105 6.674 1.00 0.00 H new ATOM 736 N ALA A 29 96.269 -0.203 8.431 1.00 0.00 N ATOM 737 CA ALA A 29 97.589 -0.510 8.947 1.00 0.00 C ATOM 738 C ALA A 29 98.428 -1.165 7.862 1.00 0.00 C ATOM 739 O ALA A 29 97.893 -1.830 6.973 1.00 0.00 O ATOM 740 CB ALA A 29 97.489 -1.414 10.168 1.00 0.00 C ATOM 0 H ALA A 29 95.732 -1.020 8.141 1.00 0.00 H new ATOM 0 HA ALA A 29 98.073 0.418 9.253 1.00 0.00 H new ATOM 0 HB1 ALA A 29 98.489 -1.633 10.541 1.00 0.00 H new ATOM 0 HB2 ALA A 29 96.914 -0.912 10.946 1.00 0.00 H new ATOM 0 HB3 ALA A 29 96.992 -2.344 9.892 1.00 0.00 H new ATOM 746 N ALA A 30 99.732 -0.969 7.928 1.00 0.00 N ATOM 747 CA ALA A 30 100.633 -1.514 6.930 1.00 0.00 C ATOM 748 C ALA A 30 101.930 -1.975 7.575 1.00 0.00 C ATOM 749 O ALA A 30 102.271 -1.541 8.677 1.00 0.00 O ATOM 750 CB ALA A 30 100.907 -0.483 5.847 1.00 0.00 C ATOM 0 H ALA A 30 100.192 -0.434 8.665 1.00 0.00 H new ATOM 0 HA ALA A 30 100.157 -2.380 6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 30 101.584 -0.906 5.105 1.00 0.00 H new ATOM 0 HB2 ALA A 30 99.970 -0.204 5.365 1.00 0.00 H new ATOM 0 HB3 ALA A 30 101.363 0.401 6.293 1.00 0.00 H new ATOM 756 N GLY A 31 102.623 -2.874 6.900 1.00 0.00 N ATOM 757 CA GLY A 31 103.898 -3.366 7.384 1.00 0.00 C ATOM 758 C GLY A 31 104.560 -4.258 6.359 1.00 0.00 C ATOM 759 O GLY A 31 104.178 -4.244 5.190 1.00 0.00 O ATOM 0 H GLY A 31 102.323 -3.278 6.013 1.00 0.00 H new ATOM 0 HA2 GLY A 31 104.552 -2.525 7.616 1.00 0.00 H new ATOM 0 HA3 GLY A 31 103.750 -3.920 8.311 1.00 0.00 H new ATOM 763 N ARG A 32 105.545 -5.032 6.774 1.00 0.00 N ATOM 764 CA ARG A 32 106.193 -5.969 5.872 1.00 0.00 C ATOM 765 C ARG A 32 106.184 -7.370 6.455 1.00 0.00 C ATOM 766 O ARG A 32 106.306 -7.553 7.666 1.00 0.00 O ATOM 767 CB ARG A 32 107.637 -5.563 5.582 1.00 0.00 C ATOM 768 CG ARG A 32 107.792 -4.227 4.876 1.00 0.00 C ATOM 769 CD ARG A 32 109.241 -3.990 4.484 1.00 0.00 C ATOM 770 NE ARG A 32 110.138 -4.138 5.628 1.00 0.00 N ATOM 771 CZ ARG A 32 111.141 -5.014 5.686 1.00 0.00 C ATOM 772 NH1 ARG A 32 111.409 -5.799 4.652 1.00 0.00 N ATOM 773 NH2 ARG A 32 111.881 -5.100 6.781 1.00 0.00 N ATOM 0 H ARG A 32 105.914 -5.032 7.725 1.00 0.00 H new ATOM 0 HA ARG A 32 105.629 -5.955 4.940 1.00 0.00 H new ATOM 0 HB2 ARG A 32 108.186 -5.527 6.523 1.00 0.00 H new ATOM 0 HB3 ARG A 32 108.102 -6.337 4.971 1.00 0.00 H new ATOM 0 HG2 ARG A 32 107.162 -4.205 3.987 1.00 0.00 H new ATOM 0 HG3 ARG A 32 107.451 -3.424 5.529 1.00 0.00 H new ATOM 0 HD2 ARG A 32 109.527 -4.694 3.703 1.00 0.00 H new ATOM 0 HD3 ARG A 32 109.346 -2.989 4.065 1.00 0.00 H new ATOM 0 HE ARG A 32 109.987 -3.532 6.434 1.00 0.00 H new ATOM 0 HH11 ARG A 32 110.846 -5.735 3.804 1.00 0.00 H new ATOM 0 HH12 ARG A 32 112.178 -6.467 4.704 1.00 0.00 H new ATOM 0 HH21 ARG A 32 111.683 -4.496 7.579 1.00 0.00 H new ATOM 0 HH22 ARG A 32 112.649 -5.770 6.826 1.00 0.00 H new ATOM 787 N ASN A 33 106.038 -8.352 5.587 1.00 0.00 N ATOM 788 CA ASN A 33 106.135 -9.743 5.988 1.00 0.00 C ATOM 789 C ASN A 33 107.541 -10.238 5.699 1.00 0.00 C ATOM 790 O ASN A 33 108.134 -9.841 4.694 1.00 0.00 O ATOM 791 CB ASN A 33 105.123 -10.609 5.231 1.00 0.00 C ATOM 792 CG ASN A 33 103.684 -10.200 5.477 1.00 0.00 C ATOM 793 OD1 ASN A 33 103.040 -10.673 6.414 1.00 0.00 O ATOM 794 ND2 ASN A 33 103.161 -9.332 4.626 1.00 0.00 N ATOM 0 H ASN A 33 105.851 -8.212 4.594 1.00 0.00 H new ATOM 0 HA ASN A 33 105.915 -9.818 7.053 1.00 0.00 H new ATOM 0 HB2 ASN A 33 105.333 -10.551 4.163 1.00 0.00 H new ATOM 0 HB3 ASN A 33 105.253 -11.650 5.526 1.00 0.00 H new ATOM 0 HD21 ASN A 33 102.192 -9.032 4.734 1.00 0.00 H new ATOM 0 HD22 ASN A 33 103.727 -8.962 3.862 1.00 0.00 H new ATOM 834 N SER A 37 106.651 -9.823 1.082 1.00 0.00 N ATOM 835 CA SER A 37 105.423 -9.165 0.677 1.00 0.00 C ATOM 836 C SER A 37 105.004 -8.117 1.708 1.00 0.00 C ATOM 837 O SER A 37 105.331 -8.227 2.893 1.00 0.00 O ATOM 838 CB SER A 37 104.327 -10.213 0.490 1.00 0.00 C ATOM 839 OG SER A 37 104.394 -11.202 1.507 1.00 0.00 O ATOM 0 HA SER A 37 105.588 -8.649 -0.269 1.00 0.00 H new ATOM 0 HB2 SER A 37 103.350 -9.731 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 37 104.431 -10.683 -0.488 1.00 0.00 H new ATOM 0 HG SER A 37 105.310 -11.256 1.851 1.00 0.00 H new ATOM 845 N ILE A 38 104.281 -7.100 1.255 1.00 0.00 N ATOM 846 CA ILE A 38 103.840 -6.029 2.135 1.00 0.00 C ATOM 847 C ILE A 38 102.556 -6.432 2.859 1.00 0.00 C ATOM 848 O ILE A 38 101.675 -7.070 2.280 1.00 0.00 O ATOM 849 CB ILE A 38 103.607 -4.716 1.345 1.00 0.00 C ATOM 850 CG1 ILE A 38 104.895 -4.295 0.628 1.00 0.00 C ATOM 851 CG2 ILE A 38 103.123 -3.604 2.269 1.00 0.00 C ATOM 852 CD1 ILE A 38 104.749 -3.034 -0.198 1.00 0.00 C ATOM 0 H ILE A 38 103.989 -6.996 0.283 1.00 0.00 H new ATOM 0 HA ILE A 38 104.627 -5.854 2.869 1.00 0.00 H new ATOM 0 HB ILE A 38 102.833 -4.896 0.599 1.00 0.00 H new ATOM 0 HG12 ILE A 38 105.680 -4.144 1.369 1.00 0.00 H new ATOM 0 HG13 ILE A 38 105.221 -5.108 -0.021 1.00 0.00 H new ATOM 0 HG21 ILE A 38 102.967 -2.693 1.691 1.00 0.00 H new ATOM 0 HG22 ILE A 38 102.185 -3.902 2.737 1.00 0.00 H new ATOM 0 HG23 ILE A 38 103.871 -3.421 3.040 1.00 0.00 H new ATOM 0 HD11 ILE A 38 105.701 -2.799 -0.675 1.00 0.00 H new ATOM 0 HD12 ILE A 38 103.988 -3.186 -0.963 1.00 0.00 H new ATOM 0 HD13 ILE A 38 104.454 -2.208 0.449 1.00 0.00 H new ATOM 864 N ASP A 39 102.475 -6.078 4.132 1.00 0.00 N ATOM 865 CA ASP A 39 101.314 -6.410 4.946 1.00 0.00 C ATOM 866 C ASP A 39 100.318 -5.266 4.947 1.00 0.00 C ATOM 867 O ASP A 39 100.680 -4.114 5.196 1.00 0.00 O ATOM 868 CB ASP A 39 101.728 -6.731 6.385 1.00 0.00 C ATOM 869 CG ASP A 39 100.531 -6.940 7.293 1.00 0.00 C ATOM 870 OD1 ASP A 39 99.785 -7.919 7.072 1.00 0.00 O ATOM 871 OD2 ASP A 39 100.341 -6.137 8.232 1.00 0.00 O ATOM 0 H ASP A 39 103.201 -5.559 4.626 1.00 0.00 H new ATOM 0 HA ASP A 39 100.845 -7.292 4.511 1.00 0.00 H new ATOM 0 HB2 ASP A 39 102.348 -7.628 6.391 1.00 0.00 H new ATOM 0 HB3 ASP A 39 102.340 -5.918 6.775 1.00 0.00 H new ATOM 876 N TYR A 40 99.074 -5.587 4.647 1.00 0.00 N ATOM 877 CA TYR A 40 98.006 -4.605 4.667 1.00 0.00 C ATOM 878 C TYR A 40 96.902 -5.061 5.610 1.00 0.00 C ATOM 879 O TYR A 40 96.448 -6.202 5.540 1.00 0.00 O ATOM 880 CB TYR A 40 97.434 -4.406 3.266 1.00 0.00 C ATOM 881 CG TYR A 40 98.420 -3.871 2.253 1.00 0.00 C ATOM 882 CD1 TYR A 40 98.828 -2.548 2.293 1.00 0.00 C ATOM 883 CD2 TYR A 40 98.921 -4.685 1.243 1.00 0.00 C ATOM 884 CE1 TYR A 40 99.708 -2.046 1.357 1.00 0.00 C ATOM 885 CE2 TYR A 40 99.806 -4.190 0.304 1.00 0.00 C ATOM 886 CZ TYR A 40 100.194 -2.870 0.364 1.00 0.00 C ATOM 887 OH TYR A 40 101.069 -2.368 -0.572 1.00 0.00 O ATOM 0 H TYR A 40 98.777 -6.527 4.385 1.00 0.00 H new ATOM 0 HA TYR A 40 98.414 -3.657 5.017 1.00 0.00 H new ATOM 0 HB2 TYR A 40 97.046 -5.360 2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 40 96.588 -3.721 3.327 1.00 0.00 H new ATOM 0 HD1 TYR A 40 98.451 -1.899 3.070 1.00 0.00 H new ATOM 0 HD2 TYR A 40 98.614 -5.719 1.192 1.00 0.00 H new ATOM 0 HE1 TYR A 40 100.015 -1.012 1.402 1.00 0.00 H new ATOM 0 HE2 TYR A 40 100.191 -4.835 -0.472 1.00 0.00 H new ATOM 0 HH TYR A 40 101.311 -1.449 -0.333 1.00 0.00 H new ATOM 897 N ARG A 41 96.476 -4.170 6.490 1.00 0.00 N ATOM 898 CA ARG A 41 95.437 -4.492 7.455 1.00 0.00 C ATOM 899 C ARG A 41 94.378 -3.400 7.517 1.00 0.00 C ATOM 900 O ARG A 41 94.677 -2.217 7.354 1.00 0.00 O ATOM 901 CB ARG A 41 96.050 -4.729 8.834 1.00 0.00 C ATOM 902 CG ARG A 41 96.589 -6.138 9.005 1.00 0.00 C ATOM 903 CD ARG A 41 97.364 -6.298 10.299 1.00 0.00 C ATOM 904 NE ARG A 41 97.388 -7.690 10.740 1.00 0.00 N ATOM 905 CZ ARG A 41 98.433 -8.506 10.618 1.00 0.00 C ATOM 906 NH1 ARG A 41 99.536 -8.099 10.002 1.00 0.00 N ATOM 907 NH2 ARG A 41 98.360 -9.743 11.090 1.00 0.00 N ATOM 0 H ARG A 41 96.834 -3.217 6.556 1.00 0.00 H new ATOM 0 HA ARG A 41 94.946 -5.408 7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 41 96.857 -4.014 8.995 1.00 0.00 H new ATOM 0 HB3 ARG A 41 95.297 -4.538 9.599 1.00 0.00 H new ATOM 0 HG2 ARG A 41 95.761 -6.847 8.988 1.00 0.00 H new ATOM 0 HG3 ARG A 41 97.236 -6.383 8.163 1.00 0.00 H new ATOM 0 HD2 ARG A 41 98.385 -5.942 10.159 1.00 0.00 H new ATOM 0 HD3 ARG A 41 96.913 -5.678 11.073 1.00 0.00 H new ATOM 0 HE ARG A 41 96.543 -8.064 11.173 1.00 0.00 H new ATOM 0 HH11 ARG A 41 99.587 -7.155 9.618 1.00 0.00 H new ATOM 0 HH12 ARG A 41 100.332 -8.730 9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 41 97.506 -10.066 11.544 1.00 0.00 H new ATOM 0 HH22 ARG A 41 99.158 -10.372 10.999 1.00 0.00 H new ATOM 921 N MET A 42 93.140 -3.813 7.751 1.00 0.00 N ATOM 922 CA MET A 42 92.011 -2.894 7.805 1.00 0.00 C ATOM 923 C MET A 42 91.335 -2.966 9.168 1.00 0.00 C ATOM 924 O MET A 42 91.205 -4.050 9.741 1.00 0.00 O ATOM 925 CB MET A 42 90.992 -3.250 6.719 1.00 0.00 C ATOM 926 CG MET A 42 89.785 -2.326 6.683 1.00 0.00 C ATOM 927 SD MET A 42 88.407 -3.016 5.742 1.00 0.00 S ATOM 928 CE MET A 42 89.198 -3.354 4.175 1.00 0.00 C ATOM 0 H MET A 42 92.890 -4.789 7.908 1.00 0.00 H new ATOM 0 HA MET A 42 92.382 -1.883 7.640 1.00 0.00 H new ATOM 0 HB2 MET A 42 91.486 -3.225 5.748 1.00 0.00 H new ATOM 0 HB3 MET A 42 90.650 -4.273 6.876 1.00 0.00 H new ATOM 0 HG2 MET A 42 89.458 -2.123 7.703 1.00 0.00 H new ATOM 0 HG3 MET A 42 90.076 -1.371 6.245 1.00 0.00 H new ATOM 0 HE1 MET A 42 88.439 -3.459 3.399 1.00 0.00 H new ATOM 0 HE2 MET A 42 89.867 -2.532 3.920 1.00 0.00 H new ATOM 0 HE3 MET A 42 89.771 -4.278 4.249 1.00 0.00 H new ATOM 938 N GLY A 43 90.918 -1.821 9.687 1.00 0.00 N ATOM 939 CA GLY A 43 90.175 -1.805 10.927 1.00 0.00 C ATOM 940 C GLY A 43 89.544 -0.459 11.200 1.00 0.00 C ATOM 941 O GLY A 43 89.760 0.501 10.462 1.00 0.00 O ATOM 0 H GLY A 43 91.081 -0.904 9.271 1.00 0.00 H new ATOM 0 HA2 GLY A 43 89.397 -2.568 10.892 1.00 0.00 H new ATOM 0 HA3 GLY A 43 90.840 -2.066 11.750 1.00 0.00 H new ATOM 945 N PHE A 44 88.749 -0.391 12.251 1.00 0.00 N ATOM 946 CA PHE A 44 88.178 0.868 12.699 1.00 0.00 C ATOM 947 C PHE A 44 88.787 1.229 14.040 1.00 0.00 C ATOM 948 O PHE A 44 88.650 0.479 15.005 1.00 0.00 O ATOM 949 CB PHE A 44 86.655 0.773 12.822 1.00 0.00 C ATOM 950 CG PHE A 44 85.947 0.551 11.515 1.00 0.00 C ATOM 951 CD1 PHE A 44 85.602 1.625 10.710 1.00 0.00 C ATOM 952 CD2 PHE A 44 85.622 -0.729 11.096 1.00 0.00 C ATOM 953 CE1 PHE A 44 84.946 1.426 9.510 1.00 0.00 C ATOM 954 CE2 PHE A 44 84.965 -0.933 9.897 1.00 0.00 C ATOM 955 CZ PHE A 44 84.627 0.145 9.104 1.00 0.00 C ATOM 0 H PHE A 44 88.482 -1.198 12.815 1.00 0.00 H new ATOM 0 HA PHE A 44 88.402 1.641 11.964 1.00 0.00 H new ATOM 0 HB2 PHE A 44 86.406 -0.043 13.501 1.00 0.00 H new ATOM 0 HB3 PHE A 44 86.280 1.691 13.275 1.00 0.00 H new ATOM 0 HD1 PHE A 44 85.848 2.629 11.024 1.00 0.00 H new ATOM 0 HD2 PHE A 44 85.885 -1.576 11.712 1.00 0.00 H new ATOM 0 HE1 PHE A 44 84.683 2.271 8.891 1.00 0.00 H new ATOM 0 HE2 PHE A 44 84.716 -1.935 9.581 1.00 0.00 H new ATOM 0 HZ PHE A 44 84.114 -0.013 8.167 1.00 0.00 H new ATOM 965 N ASP A 45 89.460 2.363 14.100 1.00 0.00 N ATOM 966 CA ASP A 45 90.194 2.734 15.300 1.00 0.00 C ATOM 967 C ASP A 45 90.076 4.238 15.545 1.00 0.00 C ATOM 968 O ASP A 45 89.212 4.899 14.961 1.00 0.00 O ATOM 969 CB ASP A 45 91.661 2.303 15.160 1.00 0.00 C ATOM 970 CG ASP A 45 92.378 2.203 16.492 1.00 0.00 C ATOM 971 OD1 ASP A 45 92.213 1.179 17.190 1.00 0.00 O ATOM 972 OD2 ASP A 45 93.108 3.149 16.851 1.00 0.00 O ATOM 0 H ASP A 45 89.515 3.040 13.339 1.00 0.00 H new ATOM 0 HA ASP A 45 89.767 2.222 16.163 1.00 0.00 H new ATOM 0 HB2 ASP A 45 91.704 1.337 14.657 1.00 0.00 H new ATOM 0 HB3 ASP A 45 92.185 3.017 14.524 1.00 0.00 H new ATOM 977 N ASP A 46 90.940 4.771 16.398 1.00 0.00 N ATOM 978 CA ASP A 46 90.863 6.166 16.812 1.00 0.00 C ATOM 979 C ASP A 46 91.348 7.098 15.708 1.00 0.00 C ATOM 980 O ASP A 46 92.351 6.829 15.043 1.00 0.00 O ATOM 981 CB ASP A 46 91.687 6.383 18.085 1.00 0.00 C ATOM 982 CG ASP A 46 91.702 7.832 18.535 1.00 0.00 C ATOM 983 OD1 ASP A 46 90.620 8.374 18.851 1.00 0.00 O ATOM 984 OD2 ASP A 46 92.795 8.434 18.573 1.00 0.00 O ATOM 0 H ASP A 46 91.710 4.252 16.821 1.00 0.00 H new ATOM 0 HA ASP A 46 89.818 6.401 17.016 1.00 0.00 H new ATOM 0 HB2 ASP A 46 91.282 5.763 18.885 1.00 0.00 H new ATOM 0 HB3 ASP A 46 92.710 6.051 17.911 1.00 0.00 H new ATOM 989 N LEU A 47 90.616 8.183 15.512 1.00 0.00 N ATOM 990 CA LEU A 47 90.967 9.189 14.525 1.00 0.00 C ATOM 991 C LEU A 47 91.921 10.201 15.154 1.00 0.00 C ATOM 992 O LEU A 47 91.521 10.995 16.011 1.00 0.00 O ATOM 993 CB LEU A 47 89.687 9.881 14.028 1.00 0.00 C ATOM 994 CG LEU A 47 89.771 10.603 12.672 1.00 0.00 C ATOM 995 CD1 LEU A 47 88.383 11.022 12.217 1.00 0.00 C ATOM 996 CD2 LEU A 47 90.676 11.823 12.736 1.00 0.00 C ATOM 0 H LEU A 47 89.763 8.390 16.032 1.00 0.00 H new ATOM 0 HA LEU A 47 91.464 8.723 13.674 1.00 0.00 H new ATOM 0 HB2 LEU A 47 88.898 9.132 13.966 1.00 0.00 H new ATOM 0 HB3 LEU A 47 89.379 10.607 14.781 1.00 0.00 H new ATOM 0 HG LEU A 47 90.199 9.903 11.955 1.00 0.00 H new ATOM 0 HD11 LEU A 47 88.454 11.532 11.256 1.00 0.00 H new ATOM 0 HD12 LEU A 47 87.752 10.139 12.114 1.00 0.00 H new ATOM 0 HD13 LEU A 47 87.946 11.696 12.954 1.00 0.00 H new ATOM 0 HD21 LEU A 47 90.708 12.304 11.758 1.00 0.00 H new ATOM 0 HD22 LEU A 47 90.288 12.526 13.474 1.00 0.00 H new ATOM 0 HD23 LEU A 47 91.682 11.515 13.022 1.00 0.00 H new ATOM 1008 N THR A 48 93.179 10.166 14.744 1.00 0.00 N ATOM 1009 CA THR A 48 94.167 11.077 15.290 1.00 0.00 C ATOM 1010 C THR A 48 94.228 12.362 14.474 1.00 0.00 C ATOM 1011 O THR A 48 93.582 12.483 13.438 1.00 0.00 O ATOM 1012 CB THR A 48 95.563 10.428 15.350 1.00 0.00 C ATOM 1013 OG1 THR A 48 95.874 9.797 14.103 1.00 0.00 O ATOM 1014 CG2 THR A 48 95.635 9.403 16.470 1.00 0.00 C ATOM 0 H THR A 48 93.536 9.521 14.040 1.00 0.00 H new ATOM 0 HA THR A 48 93.858 11.317 16.307 1.00 0.00 H new ATOM 0 HB THR A 48 96.291 11.215 15.546 1.00 0.00 H new ATOM 0 HG1 THR A 48 96.083 10.481 13.433 1.00 0.00 H new ATOM 0 HG21 THR A 48 96.630 8.958 16.493 1.00 0.00 H new ATOM 0 HG22 THR A 48 95.434 9.891 17.424 1.00 0.00 H new ATOM 0 HG23 THR A 48 94.893 8.623 16.298 1.00 0.00 H new ATOM 1022 N GLU A 49 95.001 13.320 14.949 1.00 0.00 N ATOM 1023 CA GLU A 49 95.116 14.606 14.285 1.00 0.00 C ATOM 1024 C GLU A 49 96.565 14.845 13.876 1.00 0.00 C ATOM 1025 O GLU A 49 97.002 15.980 13.685 1.00 0.00 O ATOM 1026 CB GLU A 49 94.609 15.703 15.225 1.00 0.00 C ATOM 1027 CG GLU A 49 93.195 15.440 15.723 1.00 0.00 C ATOM 1028 CD GLU A 49 92.764 16.389 16.817 1.00 0.00 C ATOM 1029 OE1 GLU A 49 93.428 16.420 17.875 1.00 0.00 O ATOM 1030 OE2 GLU A 49 91.745 17.089 16.642 1.00 0.00 O ATOM 0 H GLU A 49 95.562 13.232 15.797 1.00 0.00 H new ATOM 0 HA GLU A 49 94.508 14.620 13.381 1.00 0.00 H new ATOM 0 HB2 GLU A 49 95.282 15.784 16.079 1.00 0.00 H new ATOM 0 HB3 GLU A 49 94.635 16.661 14.706 1.00 0.00 H new ATOM 0 HG2 GLU A 49 92.501 15.521 14.886 1.00 0.00 H new ATOM 0 HG3 GLU A 49 93.131 14.417 16.092 1.00 0.00 H new ATOM 1037 N ASP A 50 97.298 13.746 13.729 1.00 0.00 N ATOM 1038 CA ASP A 50 98.701 13.791 13.331 1.00 0.00 C ATOM 1039 C ASP A 50 98.918 13.007 12.044 1.00 0.00 C ATOM 1040 O ASP A 50 100.022 12.981 11.497 1.00 0.00 O ATOM 1041 CB ASP A 50 99.599 13.209 14.428 1.00 0.00 C ATOM 1042 CG ASP A 50 99.779 14.134 15.616 1.00 0.00 C ATOM 1043 OD1 ASP A 50 98.917 14.130 16.517 1.00 0.00 O ATOM 1044 OD2 ASP A 50 100.802 14.856 15.662 1.00 0.00 O ATOM 0 H ASP A 50 96.939 12.804 13.881 1.00 0.00 H new ATOM 0 HA ASP A 50 98.964 14.836 13.169 1.00 0.00 H new ATOM 0 HB2 ASP A 50 99.174 12.266 14.773 1.00 0.00 H new ATOM 0 HB3 ASP A 50 100.577 12.981 14.003 1.00 0.00 H new ATOM 1049 N ASP A 51 97.864 12.356 11.573 1.00 0.00 N ATOM 1050 CA ASP A 51 97.947 11.511 10.390 1.00 0.00 C ATOM 1051 C ASP A 51 97.207 12.135 9.213 1.00 0.00 C ATOM 1052 O ASP A 51 96.595 13.197 9.345 1.00 0.00 O ATOM 1053 CB ASP A 51 97.392 10.113 10.692 1.00 0.00 C ATOM 1054 CG ASP A 51 95.962 10.115 11.201 1.00 0.00 C ATOM 1055 OD1 ASP A 51 95.542 11.114 11.827 1.00 0.00 O ATOM 1056 OD2 ASP A 51 95.274 9.092 11.029 1.00 0.00 O ATOM 0 H ASP A 51 96.936 12.397 11.995 1.00 0.00 H new ATOM 0 HA ASP A 51 98.998 11.420 10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 51 97.444 9.509 9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 51 98.030 9.632 11.433 1.00 0.00 H new ATOM 1061 N ILE A 52 97.272 11.479 8.061 1.00 0.00 N ATOM 1062 CA ILE A 52 96.660 12.002 6.852 1.00 0.00 C ATOM 1063 C ILE A 52 95.218 11.527 6.731 1.00 0.00 C ATOM 1064 O ILE A 52 94.944 10.328 6.653 1.00 0.00 O ATOM 1065 CB ILE A 52 97.449 11.597 5.587 1.00 0.00 C ATOM 1066 CG1 ILE A 52 98.896 12.097 5.683 1.00 0.00 C ATOM 1067 CG2 ILE A 52 96.772 12.148 4.337 1.00 0.00 C ATOM 1068 CD1 ILE A 52 99.728 11.813 4.449 1.00 0.00 C ATOM 0 H ILE A 52 97.744 10.583 7.941 1.00 0.00 H new ATOM 0 HA ILE A 52 96.677 13.089 6.929 1.00 0.00 H new ATOM 0 HB ILE A 52 97.462 10.509 5.517 1.00 0.00 H new ATOM 0 HG12 ILE A 52 98.887 13.172 5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 52 99.374 11.633 6.546 1.00 0.00 H new ATOM 0 HG21 ILE A 52 97.341 11.853 3.455 1.00 0.00 H new ATOM 0 HG22 ILE A 52 95.760 11.750 4.266 1.00 0.00 H new ATOM 0 HG23 ILE A 52 96.730 13.236 4.395 1.00 0.00 H new ATOM 0 HD11 ILE A 52 100.738 12.197 4.595 1.00 0.00 H new ATOM 0 HD12 ILE A 52 99.770 10.737 4.278 1.00 0.00 H new ATOM 0 HD13 ILE A 52 99.276 12.300 3.585 1.00 0.00 H new ATOM 1080 N ARG A 53 94.306 12.483 6.729 1.00 0.00 N ATOM 1081 CA ARG A 53 92.888 12.196 6.622 1.00 0.00 C ATOM 1082 C ARG A 53 92.495 12.049 5.155 1.00 0.00 C ATOM 1083 O ARG A 53 92.477 13.024 4.405 1.00 0.00 O ATOM 1084 CB ARG A 53 92.097 13.321 7.289 1.00 0.00 C ATOM 1085 CG ARG A 53 90.618 13.033 7.464 1.00 0.00 C ATOM 1086 CD ARG A 53 89.945 14.159 8.230 1.00 0.00 C ATOM 1087 NE ARG A 53 88.536 13.889 8.497 1.00 0.00 N ATOM 1088 CZ ARG A 53 87.818 14.522 9.420 1.00 0.00 C ATOM 1089 NH1 ARG A 53 88.385 15.443 10.194 1.00 0.00 N ATOM 1090 NH2 ARG A 53 86.539 14.220 9.576 1.00 0.00 N ATOM 0 H ARG A 53 94.527 13.476 6.801 1.00 0.00 H new ATOM 0 HA ARG A 53 92.661 11.257 7.128 1.00 0.00 H new ATOM 0 HB2 ARG A 53 92.533 13.524 8.267 1.00 0.00 H new ATOM 0 HB3 ARG A 53 92.210 14.228 6.696 1.00 0.00 H new ATOM 0 HG2 ARG A 53 90.146 12.916 6.488 1.00 0.00 H new ATOM 0 HG3 ARG A 53 90.485 12.092 7.997 1.00 0.00 H new ATOM 0 HD2 ARG A 53 90.467 14.315 9.174 1.00 0.00 H new ATOM 0 HD3 ARG A 53 90.033 15.084 7.661 1.00 0.00 H new ATOM 0 HE ARG A 53 88.073 13.170 7.941 1.00 0.00 H new ATOM 0 HH11 ARG A 53 89.374 15.666 10.081 1.00 0.00 H new ATOM 0 HH12 ARG A 53 87.831 15.926 10.901 1.00 0.00 H new ATOM 0 HH21 ARG A 53 86.109 13.505 8.990 1.00 0.00 H new ATOM 0 HH22 ARG A 53 85.984 14.702 10.283 1.00 0.00 H new ATOM 1104 N LEU A 54 92.195 10.828 4.749 1.00 0.00 N ATOM 1105 CA LEU A 54 91.870 10.530 3.367 1.00 0.00 C ATOM 1106 C LEU A 54 90.363 10.377 3.210 1.00 0.00 C ATOM 1107 O LEU A 54 89.665 10.027 4.159 1.00 0.00 O ATOM 1108 CB LEU A 54 92.584 9.239 2.935 1.00 0.00 C ATOM 1109 CG LEU A 54 92.374 8.811 1.477 1.00 0.00 C ATOM 1110 CD1 LEU A 54 93.025 9.800 0.525 1.00 0.00 C ATOM 1111 CD2 LEU A 54 92.930 7.412 1.248 1.00 0.00 C ATOM 0 H LEU A 54 92.170 10.017 5.367 1.00 0.00 H new ATOM 0 HA LEU A 54 92.206 11.350 2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 54 93.653 9.364 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 54 92.250 8.428 3.583 1.00 0.00 H new ATOM 0 HG LEU A 54 91.303 8.798 1.277 1.00 0.00 H new ATOM 0 HD11 LEU A 54 92.863 9.476 -0.503 1.00 0.00 H new ATOM 0 HD12 LEU A 54 92.584 10.787 0.668 1.00 0.00 H new ATOM 0 HD13 LEU A 54 94.095 9.848 0.726 1.00 0.00 H new ATOM 0 HD21 LEU A 54 92.773 7.124 0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 54 93.997 7.404 1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 54 92.418 6.706 1.902 1.00 0.00 H new ATOM 1123 N THR A 55 89.861 10.669 2.027 1.00 0.00 N ATOM 1124 CA THR A 55 88.459 10.462 1.720 1.00 0.00 C ATOM 1125 C THR A 55 88.325 9.968 0.285 1.00 0.00 C ATOM 1126 O THR A 55 88.573 10.714 -0.663 1.00 0.00 O ATOM 1127 CB THR A 55 87.637 11.754 1.925 1.00 0.00 C ATOM 1128 OG1 THR A 55 87.825 12.238 3.264 1.00 0.00 O ATOM 1129 CG2 THR A 55 86.155 11.505 1.680 1.00 0.00 C ATOM 0 H THR A 55 90.408 11.053 1.257 1.00 0.00 H new ATOM 0 HA THR A 55 88.062 9.712 2.404 1.00 0.00 H new ATOM 0 HB THR A 55 87.985 12.498 1.208 1.00 0.00 H new ATOM 0 HG1 THR A 55 87.304 13.058 3.392 1.00 0.00 H new ATOM 0 HG21 THR A 55 85.601 12.431 1.831 1.00 0.00 H new ATOM 0 HG22 THR A 55 86.009 11.157 0.657 1.00 0.00 H new ATOM 0 HG23 THR A 55 85.793 10.748 2.376 1.00 0.00 H new ATOM 1137 N SER A 56 87.982 8.701 0.135 1.00 0.00 N ATOM 1138 CA SER A 56 87.887 8.090 -1.176 1.00 0.00 C ATOM 1139 C SER A 56 86.433 7.957 -1.612 1.00 0.00 C ATOM 1140 O SER A 56 85.765 6.967 -1.285 1.00 0.00 O ATOM 1141 CB SER A 56 88.578 6.724 -1.165 1.00 0.00 C ATOM 1142 OG SER A 56 88.142 5.943 -0.063 1.00 0.00 O ATOM 0 H SER A 56 87.764 8.074 0.909 1.00 0.00 H new ATOM 0 HA SER A 56 88.391 8.733 -1.897 1.00 0.00 H new ATOM 0 HB2 SER A 56 88.366 6.197 -2.095 1.00 0.00 H new ATOM 0 HB3 SER A 56 89.658 6.859 -1.115 1.00 0.00 H new ATOM 0 HG SER A 56 87.167 6.002 0.015 1.00 0.00 H new ATOM 1148 N GLU A 57 85.945 8.992 -2.299 1.00 0.00 N ATOM 1149 CA GLU A 57 84.611 9.014 -2.904 1.00 0.00 C ATOM 1150 C GLU A 57 83.515 9.162 -1.848 1.00 0.00 C ATOM 1151 O GLU A 57 82.703 10.088 -1.904 1.00 0.00 O ATOM 1152 CB GLU A 57 84.383 7.760 -3.760 1.00 0.00 C ATOM 1153 CG GLU A 57 83.102 7.795 -4.574 1.00 0.00 C ATOM 1154 CD GLU A 57 82.986 6.624 -5.528 1.00 0.00 C ATOM 1155 OE1 GLU A 57 83.713 6.610 -6.546 1.00 0.00 O ATOM 1156 OE2 GLU A 57 82.158 5.726 -5.279 1.00 0.00 O ATOM 0 H GLU A 57 86.473 9.851 -2.453 1.00 0.00 H new ATOM 0 HA GLU A 57 84.557 9.888 -3.553 1.00 0.00 H new ATOM 0 HB2 GLU A 57 85.228 7.635 -4.437 1.00 0.00 H new ATOM 0 HB3 GLU A 57 84.364 6.886 -3.109 1.00 0.00 H new ATOM 0 HG2 GLU A 57 82.247 7.795 -3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 57 83.061 8.726 -5.140 1.00 0.00 H new ATOM 1163 N GLY A 58 83.511 8.262 -0.886 1.00 0.00 N ATOM 1164 CA GLY A 58 82.496 8.279 0.150 1.00 0.00 C ATOM 1165 C GLY A 58 83.035 7.878 1.509 1.00 0.00 C ATOM 1166 O GLY A 58 82.542 8.339 2.538 1.00 0.00 O ATOM 0 H GLY A 58 84.196 7.512 -0.799 1.00 0.00 H new ATOM 0 HA2 GLY A 58 82.067 9.279 0.215 1.00 0.00 H new ATOM 0 HA3 GLY A 58 81.688 7.603 -0.129 1.00 0.00 H new ATOM 1170 N VAL A 59 84.049 7.021 1.519 1.00 0.00 N ATOM 1171 CA VAL A 59 84.602 6.513 2.767 1.00 0.00 C ATOM 1172 C VAL A 59 85.783 7.361 3.232 1.00 0.00 C ATOM 1173 O VAL A 59 86.652 7.725 2.438 1.00 0.00 O ATOM 1174 CB VAL A 59 85.050 5.042 2.623 1.00 0.00 C ATOM 1175 CG1 VAL A 59 85.602 4.504 3.936 1.00 0.00 C ATOM 1176 CG2 VAL A 59 83.897 4.179 2.140 1.00 0.00 C ATOM 0 H VAL A 59 84.504 6.664 0.679 1.00 0.00 H new ATOM 0 HA VAL A 59 83.810 6.569 3.514 1.00 0.00 H new ATOM 0 HB VAL A 59 85.848 5.006 1.882 1.00 0.00 H new ATOM 0 HG11 VAL A 59 85.909 3.467 3.804 1.00 0.00 H new ATOM 0 HG12 VAL A 59 86.462 5.101 4.241 1.00 0.00 H new ATOM 0 HG13 VAL A 59 84.831 4.559 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 59 84.231 3.146 2.044 1.00 0.00 H new ATOM 0 HG22 VAL A 59 83.078 4.231 2.858 1.00 0.00 H new ATOM 0 HG23 VAL A 59 83.553 4.540 1.171 1.00 0.00 H new ATOM 1186 N GLU A 60 85.792 7.684 4.519 1.00 0.00 N ATOM 1187 CA GLU A 60 86.891 8.416 5.125 1.00 0.00 C ATOM 1188 C GLU A 60 87.893 7.438 5.724 1.00 0.00 C ATOM 1189 O GLU A 60 87.510 6.485 6.405 1.00 0.00 O ATOM 1190 CB GLU A 60 86.364 9.359 6.205 1.00 0.00 C ATOM 1191 CG GLU A 60 87.441 10.210 6.852 1.00 0.00 C ATOM 1192 CD GLU A 60 86.893 11.086 7.953 1.00 0.00 C ATOM 1193 OE1 GLU A 60 86.427 12.205 7.646 1.00 0.00 O ATOM 1194 OE2 GLU A 60 86.927 10.663 9.126 1.00 0.00 O ATOM 0 H GLU A 60 85.041 7.446 5.167 1.00 0.00 H new ATOM 0 HA GLU A 60 87.389 9.009 4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 60 85.611 10.014 5.767 1.00 0.00 H new ATOM 0 HB3 GLU A 60 85.866 8.771 6.976 1.00 0.00 H new ATOM 0 HG2 GLU A 60 88.218 9.562 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 60 87.912 10.835 6.093 1.00 0.00 H new ATOM 1201 N ILE A 61 89.166 7.674 5.458 1.00 0.00 N ATOM 1202 CA ILE A 61 90.225 6.782 5.899 1.00 0.00 C ATOM 1203 C ILE A 61 91.346 7.580 6.554 1.00 0.00 C ATOM 1204 O ILE A 61 91.870 8.515 5.959 1.00 0.00 O ATOM 1205 CB ILE A 61 90.809 5.989 4.709 1.00 0.00 C ATOM 1206 CG1 ILE A 61 89.708 5.217 3.978 1.00 0.00 C ATOM 1207 CG2 ILE A 61 91.895 5.039 5.187 1.00 0.00 C ATOM 1208 CD1 ILE A 61 90.187 4.537 2.716 1.00 0.00 C ATOM 0 H ILE A 61 89.494 8.485 4.933 1.00 0.00 H new ATOM 0 HA ILE A 61 89.795 6.085 6.618 1.00 0.00 H new ATOM 0 HB ILE A 61 91.250 6.699 4.009 1.00 0.00 H new ATOM 0 HG12 ILE A 61 89.293 4.467 4.651 1.00 0.00 H new ATOM 0 HG13 ILE A 61 88.899 5.903 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 61 92.296 4.488 4.337 1.00 0.00 H new ATOM 0 HG22 ILE A 61 92.695 5.609 5.660 1.00 0.00 H new ATOM 0 HG23 ILE A 61 91.474 4.338 5.908 1.00 0.00 H new ATOM 0 HD11 ILE A 61 89.356 4.009 2.249 1.00 0.00 H new ATOM 0 HD12 ILE A 61 90.576 5.285 2.025 1.00 0.00 H new ATOM 0 HD13 ILE A 61 90.976 3.826 2.963 1.00 0.00 H new ATOM 1220 N VAL A 62 91.710 7.222 7.771 1.00 0.00 N ATOM 1221 CA VAL A 62 92.819 7.880 8.445 1.00 0.00 C ATOM 1222 C VAL A 62 94.091 7.050 8.317 1.00 0.00 C ATOM 1223 O VAL A 62 94.151 5.898 8.758 1.00 0.00 O ATOM 1224 CB VAL A 62 92.511 8.172 9.929 1.00 0.00 C ATOM 1225 CG1 VAL A 62 91.586 9.373 10.038 1.00 0.00 C ATOM 1226 CG2 VAL A 62 91.891 6.963 10.616 1.00 0.00 C ATOM 0 H VAL A 62 91.259 6.484 8.312 1.00 0.00 H new ATOM 0 HA VAL A 62 92.970 8.840 7.952 1.00 0.00 H new ATOM 0 HB VAL A 62 93.451 8.394 10.434 1.00 0.00 H new ATOM 0 HG11 VAL A 62 91.373 9.574 11.088 1.00 0.00 H new ATOM 0 HG12 VAL A 62 92.067 10.244 9.592 1.00 0.00 H new ATOM 0 HG13 VAL A 62 90.655 9.164 9.512 1.00 0.00 H new ATOM 0 HG21 VAL A 62 91.687 7.203 11.660 1.00 0.00 H new ATOM 0 HG22 VAL A 62 90.960 6.698 10.115 1.00 0.00 H new ATOM 0 HG23 VAL A 62 92.582 6.122 10.566 1.00 0.00 H new ATOM 1236 N ILE A 63 95.098 7.634 7.683 1.00 0.00 N ATOM 1237 CA ILE A 63 96.342 6.934 7.418 1.00 0.00 C ATOM 1238 C ILE A 63 97.534 7.736 7.924 1.00 0.00 C ATOM 1239 O ILE A 63 97.807 8.837 7.444 1.00 0.00 O ATOM 1240 CB ILE A 63 96.526 6.667 5.906 1.00 0.00 C ATOM 1241 CG1 ILE A 63 95.351 5.856 5.352 1.00 0.00 C ATOM 1242 CG2 ILE A 63 97.841 5.939 5.654 1.00 0.00 C ATOM 1243 CD1 ILE A 63 95.415 5.637 3.854 1.00 0.00 C ATOM 0 H ILE A 63 95.075 8.595 7.342 1.00 0.00 H new ATOM 0 HA ILE A 63 96.291 5.982 7.946 1.00 0.00 H new ATOM 0 HB ILE A 63 96.553 7.626 5.388 1.00 0.00 H new ATOM 0 HG12 ILE A 63 95.322 4.887 5.851 1.00 0.00 H new ATOM 0 HG13 ILE A 63 94.420 6.368 5.596 1.00 0.00 H new ATOM 0 HG21 ILE A 63 97.957 5.758 4.586 1.00 0.00 H new ATOM 0 HG22 ILE A 63 98.670 6.551 6.011 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.838 4.987 6.185 1.00 0.00 H new ATOM 0 HD11 ILE A 63 94.550 5.055 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 63 95.412 6.601 3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 63 96.328 5.097 3.604 1.00 0.00 H new ATOM 1255 N ALA A 64 98.239 7.185 8.900 1.00 0.00 N ATOM 1256 CA ALA A 64 99.456 7.806 9.401 1.00 0.00 C ATOM 1257 C ALA A 64 100.522 7.816 8.311 1.00 0.00 C ATOM 1258 O ALA A 64 100.606 6.872 7.522 1.00 0.00 O ATOM 1259 CB ALA A 64 99.959 7.071 10.636 1.00 0.00 C ATOM 0 H ALA A 64 97.990 6.310 9.361 1.00 0.00 H new ATOM 0 HA ALA A 64 99.236 8.835 9.684 1.00 0.00 H new ATOM 0 HB1 ALA A 64 100.870 7.548 10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 64 99.197 7.105 11.415 1.00 0.00 H new ATOM 0 HB3 ALA A 64 100.171 6.033 10.381 1.00 0.00 H new ATOM 1265 N PRO A 65 101.346 8.883 8.246 1.00 0.00 N ATOM 1266 CA PRO A 65 102.421 9.016 7.246 1.00 0.00 C ATOM 1267 C PRO A 65 103.285 7.761 7.139 1.00 0.00 C ATOM 1268 O PRO A 65 103.845 7.466 6.081 1.00 0.00 O ATOM 1269 CB PRO A 65 103.243 10.190 7.774 1.00 0.00 C ATOM 1270 CG PRO A 65 102.262 11.022 8.523 1.00 0.00 C ATOM 1271 CD PRO A 65 101.283 10.059 9.137 1.00 0.00 C ATOM 0 HA PRO A 65 102.026 9.167 6.241 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.051 9.850 8.421 1.00 0.00 H new ATOM 0 HB3 PRO A 65 103.701 10.752 6.960 1.00 0.00 H new ATOM 0 HG2 PRO A 65 102.759 11.615 9.291 1.00 0.00 H new ATOM 0 HG3 PRO A 65 101.756 11.722 7.858 1.00 0.00 H new ATOM 0 HD2 PRO A 65 101.561 9.803 10.159 1.00 0.00 H new ATOM 0 HD3 PRO A 65 100.278 10.479 9.176 1.00 0.00 H new ATOM 1279 N ASP A 66 103.384 7.032 8.244 1.00 0.00 N ATOM 1280 CA ASP A 66 104.083 5.753 8.283 1.00 0.00 C ATOM 1281 C ASP A 66 103.513 4.796 7.238 1.00 0.00 C ATOM 1282 O ASP A 66 104.223 4.328 6.347 1.00 0.00 O ATOM 1283 CB ASP A 66 103.938 5.137 9.675 1.00 0.00 C ATOM 1284 CG ASP A 66 104.740 3.863 9.851 1.00 0.00 C ATOM 1285 OD1 ASP A 66 104.261 2.784 9.448 1.00 0.00 O ATOM 1286 OD2 ASP A 66 105.848 3.933 10.425 1.00 0.00 O ATOM 0 H ASP A 66 102.982 7.311 9.139 1.00 0.00 H new ATOM 0 HA ASP A 66 105.137 5.922 8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 66 104.255 5.865 10.422 1.00 0.00 H new ATOM 0 HB3 ASP A 66 102.886 4.925 9.864 1.00 0.00 H new ATOM 1291 N TYR A 67 102.209 4.559 7.327 1.00 0.00 N ATOM 1292 CA TYR A 67 101.538 3.587 6.474 1.00 0.00 C ATOM 1293 C TYR A 67 101.448 4.085 5.036 1.00 0.00 C ATOM 1294 O TYR A 67 101.358 3.289 4.103 1.00 0.00 O ATOM 1295 CB TYR A 67 100.130 3.297 6.999 1.00 0.00 C ATOM 1296 CG TYR A 67 100.080 2.959 8.471 1.00 0.00 C ATOM 1297 CD1 TYR A 67 100.820 1.904 8.989 1.00 0.00 C ATOM 1298 CD2 TYR A 67 99.294 3.699 9.342 1.00 0.00 C ATOM 1299 CE1 TYR A 67 100.774 1.597 10.335 1.00 0.00 C ATOM 1300 CE2 TYR A 67 99.244 3.398 10.689 1.00 0.00 C ATOM 1301 CZ TYR A 67 99.984 2.346 11.180 1.00 0.00 C ATOM 1302 OH TYR A 67 99.938 2.045 12.521 1.00 0.00 O ATOM 0 H TYR A 67 101.592 5.032 7.987 1.00 0.00 H new ATOM 0 HA TYR A 67 102.128 2.671 6.491 1.00 0.00 H new ATOM 0 HB2 TYR A 67 99.499 4.166 6.815 1.00 0.00 H new ATOM 0 HB3 TYR A 67 99.705 2.469 6.432 1.00 0.00 H new ATOM 0 HD1 TYR A 67 101.440 1.315 8.330 1.00 0.00 H new ATOM 0 HD2 TYR A 67 98.711 4.524 8.960 1.00 0.00 H new ATOM 0 HE1 TYR A 67 101.355 0.773 10.724 1.00 0.00 H new ATOM 0 HE2 TYR A 67 98.628 3.985 11.354 1.00 0.00 H new ATOM 0 HH TYR A 67 99.335 2.669 12.976 1.00 0.00 H new ATOM 1312 N VAL A 68 101.479 5.403 4.865 1.00 0.00 N ATOM 1313 CA VAL A 68 101.374 6.024 3.543 1.00 0.00 C ATOM 1314 C VAL A 68 102.433 5.480 2.584 1.00 0.00 C ATOM 1315 O VAL A 68 102.177 5.314 1.393 1.00 0.00 O ATOM 1316 CB VAL A 68 101.510 7.562 3.635 1.00 0.00 C ATOM 1317 CG1 VAL A 68 101.466 8.204 2.254 1.00 0.00 C ATOM 1318 CG2 VAL A 68 100.418 8.139 4.519 1.00 0.00 C ATOM 0 H VAL A 68 101.577 6.069 5.631 1.00 0.00 H new ATOM 0 HA VAL A 68 100.386 5.776 3.155 1.00 0.00 H new ATOM 0 HB VAL A 68 102.479 7.786 4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 68 101.564 9.285 2.352 1.00 0.00 H new ATOM 0 HG12 VAL A 68 102.286 7.819 1.647 1.00 0.00 H new ATOM 0 HG13 VAL A 68 100.517 7.968 1.773 1.00 0.00 H new ATOM 0 HG21 VAL A 68 100.528 9.222 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 68 99.442 7.894 4.099 1.00 0.00 H new ATOM 0 HG23 VAL A 68 100.499 7.716 5.520 1.00 0.00 H new ATOM 1328 N SER A 69 103.608 5.168 3.118 1.00 0.00 N ATOM 1329 CA SER A 69 104.717 4.694 2.297 1.00 0.00 C ATOM 1330 C SER A 69 104.459 3.283 1.756 1.00 0.00 C ATOM 1331 O SER A 69 105.126 2.832 0.823 1.00 0.00 O ATOM 1332 CB SER A 69 106.019 4.727 3.104 1.00 0.00 C ATOM 1333 OG SER A 69 105.921 3.948 4.290 1.00 0.00 O ATOM 0 H SER A 69 103.818 5.234 4.114 1.00 0.00 H new ATOM 0 HA SER A 69 104.808 5.362 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 69 106.838 4.353 2.489 1.00 0.00 H new ATOM 0 HB3 SER A 69 106.260 5.758 3.364 1.00 0.00 H new ATOM 0 HG SER A 69 105.311 4.386 4.919 1.00 0.00 H new ATOM 1339 N LEU A 70 103.483 2.595 2.334 1.00 0.00 N ATOM 1340 CA LEU A 70 103.184 1.224 1.941 1.00 0.00 C ATOM 1341 C LEU A 70 101.802 1.116 1.299 1.00 0.00 C ATOM 1342 O LEU A 70 101.608 0.325 0.378 1.00 0.00 O ATOM 1343 CB LEU A 70 103.282 0.298 3.156 1.00 0.00 C ATOM 1344 CG LEU A 70 104.664 0.239 3.812 1.00 0.00 C ATOM 1345 CD1 LEU A 70 104.619 -0.605 5.074 1.00 0.00 C ATOM 1346 CD2 LEU A 70 105.690 -0.319 2.839 1.00 0.00 C ATOM 0 H LEU A 70 102.886 2.963 3.075 1.00 0.00 H new ATOM 0 HA LEU A 70 103.919 0.917 1.197 1.00 0.00 H new ATOM 0 HB2 LEU A 70 102.556 0.622 3.901 1.00 0.00 H new ATOM 0 HB3 LEU A 70 102.997 -0.709 2.851 1.00 0.00 H new ATOM 0 HG LEU A 70 104.959 1.252 4.084 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.610 -0.636 5.527 1.00 0.00 H new ATOM 0 HD12 LEU A 70 103.911 -0.168 5.779 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.303 -1.618 4.823 1.00 0.00 H new ATOM 0 HD21 LEU A 70 106.667 -0.354 3.321 1.00 0.00 H new ATOM 0 HD22 LEU A 70 105.397 -1.325 2.539 1.00 0.00 H new ATOM 0 HD23 LEU A 70 105.743 0.322 1.959 1.00 0.00 H new ATOM 1358 N LEU A 71 100.862 1.933 1.772 1.00 0.00 N ATOM 1359 CA LEU A 71 99.480 1.908 1.283 1.00 0.00 C ATOM 1360 C LEU A 71 99.332 2.634 -0.054 1.00 0.00 C ATOM 1361 O LEU A 71 98.216 2.886 -0.518 1.00 0.00 O ATOM 1362 CB LEU A 71 98.548 2.549 2.314 1.00 0.00 C ATOM 1363 CG LEU A 71 98.335 1.744 3.598 1.00 0.00 C ATOM 1364 CD1 LEU A 71 97.567 2.564 4.617 1.00 0.00 C ATOM 1365 CD2 LEU A 71 97.592 0.454 3.298 1.00 0.00 C ATOM 0 H LEU A 71 101.033 2.627 2.500 1.00 0.00 H new ATOM 0 HA LEU A 71 99.208 0.863 1.131 1.00 0.00 H new ATOM 0 HB2 LEU A 71 98.948 3.527 2.581 1.00 0.00 H new ATOM 0 HB3 LEU A 71 97.578 2.718 1.846 1.00 0.00 H new ATOM 0 HG LEU A 71 99.312 1.496 4.014 1.00 0.00 H new ATOM 0 HD11 LEU A 71 97.424 1.976 5.524 1.00 0.00 H new ATOM 0 HD12 LEU A 71 98.128 3.468 4.855 1.00 0.00 H new ATOM 0 HD13 LEU A 71 96.595 2.838 4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 71 97.449 -0.107 4.222 1.00 0.00 H new ATOM 0 HD22 LEU A 71 96.621 0.687 2.860 1.00 0.00 H new ATOM 0 HD23 LEU A 71 98.172 -0.145 2.596 1.00 0.00 H new ATOM 1377 N ASP A 72 100.450 2.971 -0.671 1.00 0.00 N ATOM 1378 CA ASP A 72 100.428 3.648 -1.954 1.00 0.00 C ATOM 1379 C ASP A 72 100.235 2.645 -3.085 1.00 0.00 C ATOM 1380 O ASP A 72 100.923 1.619 -3.139 1.00 0.00 O ATOM 1381 CB ASP A 72 101.717 4.442 -2.165 1.00 0.00 C ATOM 1382 CG ASP A 72 101.713 5.200 -3.477 1.00 0.00 C ATOM 1383 OD1 ASP A 72 100.800 6.028 -3.685 1.00 0.00 O ATOM 1384 OD2 ASP A 72 102.638 4.988 -4.291 1.00 0.00 O ATOM 0 H ASP A 72 101.384 2.787 -0.304 1.00 0.00 H new ATOM 0 HA ASP A 72 99.588 4.343 -1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 72 101.848 5.144 -1.342 1.00 0.00 H new ATOM 0 HB3 ASP A 72 102.569 3.762 -2.143 1.00 0.00 H new ATOM 1389 N GLN A 73 99.275 2.947 -3.962 1.00 0.00 N ATOM 1390 CA GLN A 73 98.948 2.113 -5.126 1.00 0.00 C ATOM 1391 C GLN A 73 98.279 0.802 -4.715 1.00 0.00 C ATOM 1392 O GLN A 73 98.117 -0.104 -5.531 1.00 0.00 O ATOM 1393 CB GLN A 73 100.193 1.827 -5.973 1.00 0.00 C ATOM 1394 CG GLN A 73 100.833 3.075 -6.564 1.00 0.00 C ATOM 1395 CD GLN A 73 102.071 2.760 -7.374 1.00 0.00 C ATOM 1396 OE1 GLN A 73 102.771 1.787 -7.102 1.00 0.00 O ATOM 1397 NE2 GLN A 73 102.352 3.579 -8.376 1.00 0.00 N ATOM 0 H GLN A 73 98.697 3.784 -3.886 1.00 0.00 H new ATOM 0 HA GLN A 73 98.239 2.679 -5.730 1.00 0.00 H new ATOM 0 HB2 GLN A 73 100.929 1.309 -5.358 1.00 0.00 H new ATOM 0 HB3 GLN A 73 99.922 1.150 -6.783 1.00 0.00 H new ATOM 0 HG2 GLN A 73 100.108 3.586 -7.197 1.00 0.00 H new ATOM 0 HG3 GLN A 73 101.094 3.762 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 73 101.745 4.376 -8.569 1.00 0.00 H new ATOM 0 HE22 GLN A 73 103.175 3.413 -8.955 1.00 0.00 H new ATOM 1406 N THR A 74 97.861 0.713 -3.461 1.00 0.00 N ATOM 1407 CA THR A 74 97.222 -0.492 -2.960 1.00 0.00 C ATOM 1408 C THR A 74 95.781 -0.587 -3.452 1.00 0.00 C ATOM 1409 O THR A 74 94.998 0.349 -3.296 1.00 0.00 O ATOM 1410 CB THR A 74 97.238 -0.525 -1.423 1.00 0.00 C ATOM 1411 OG1 THR A 74 98.566 -0.289 -0.944 1.00 0.00 O ATOM 1412 CG2 THR A 74 96.737 -1.863 -0.896 1.00 0.00 C ATOM 0 H THR A 74 97.953 1.461 -2.773 1.00 0.00 H new ATOM 0 HA THR A 74 97.787 -1.344 -3.340 1.00 0.00 H new ATOM 0 HB THR A 74 96.572 0.259 -1.062 1.00 0.00 H new ATOM 0 HG1 THR A 74 98.824 -1.007 -0.328 1.00 0.00 H new ATOM 0 HG21 THR A 74 96.760 -1.856 0.194 1.00 0.00 H new ATOM 0 HG22 THR A 74 95.715 -2.029 -1.237 1.00 0.00 H new ATOM 0 HG23 THR A 74 97.377 -2.663 -1.267 1.00 0.00 H new ATOM 1420 N THR A 75 95.446 -1.711 -4.066 1.00 0.00 N ATOM 1421 CA THR A 75 94.104 -1.938 -4.568 1.00 0.00 C ATOM 1422 C THR A 75 93.306 -2.796 -3.591 1.00 0.00 C ATOM 1423 O THR A 75 93.701 -3.917 -3.268 1.00 0.00 O ATOM 1424 CB THR A 75 94.150 -2.625 -5.944 1.00 0.00 C ATOM 1425 OG1 THR A 75 95.048 -1.915 -6.808 1.00 0.00 O ATOM 1426 CG2 THR A 75 92.765 -2.676 -6.577 1.00 0.00 C ATOM 0 H THR A 75 96.092 -2.484 -4.228 1.00 0.00 H new ATOM 0 HA THR A 75 93.614 -0.970 -4.673 1.00 0.00 H new ATOM 0 HB THR A 75 94.502 -3.647 -5.805 1.00 0.00 H new ATOM 0 HG1 THR A 75 95.077 -2.355 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 75 92.827 -3.167 -7.548 1.00 0.00 H new ATOM 0 HG22 THR A 75 92.090 -3.236 -5.930 1.00 0.00 H new ATOM 0 HG23 THR A 75 92.386 -1.662 -6.706 1.00 0.00 H new ATOM 1434 N LEU A 76 92.194 -2.259 -3.113 1.00 0.00 N ATOM 1435 CA LEU A 76 91.357 -2.957 -2.153 1.00 0.00 C ATOM 1436 C LEU A 76 90.032 -3.366 -2.783 1.00 0.00 C ATOM 1437 O LEU A 76 89.303 -2.527 -3.318 1.00 0.00 O ATOM 1438 CB LEU A 76 91.099 -2.068 -0.937 1.00 0.00 C ATOM 1439 CG LEU A 76 90.137 -2.645 0.102 1.00 0.00 C ATOM 1440 CD1 LEU A 76 90.676 -3.945 0.675 1.00 0.00 C ATOM 1441 CD2 LEU A 76 89.889 -1.635 1.211 1.00 0.00 C ATOM 0 H LEU A 76 91.850 -1.336 -3.377 1.00 0.00 H new ATOM 0 HA LEU A 76 91.882 -3.858 -1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 76 92.052 -1.861 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 76 90.704 -1.113 -1.283 1.00 0.00 H new ATOM 0 HG LEU A 76 89.189 -2.860 -0.391 1.00 0.00 H new ATOM 0 HD11 LEU A 76 89.975 -4.336 1.412 1.00 0.00 H new ATOM 0 HD12 LEU A 76 90.802 -4.672 -0.128 1.00 0.00 H new ATOM 0 HD13 LEU A 76 91.638 -3.761 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 76 89.202 -2.060 1.943 1.00 0.00 H new ATOM 0 HD22 LEU A 76 90.833 -1.390 1.698 1.00 0.00 H new ATOM 0 HD23 LEU A 76 89.454 -0.730 0.788 1.00 0.00 H new ATOM 1453 N ASP A 77 89.733 -4.657 -2.713 1.00 0.00 N ATOM 1454 CA ASP A 77 88.483 -5.194 -3.239 1.00 0.00 C ATOM 1455 C ASP A 77 88.017 -6.363 -2.372 1.00 0.00 C ATOM 1456 O ASP A 77 88.818 -6.955 -1.649 1.00 0.00 O ATOM 1457 CB ASP A 77 88.674 -5.646 -4.687 1.00 0.00 C ATOM 1458 CG ASP A 77 87.383 -6.108 -5.325 1.00 0.00 C ATOM 1459 OD1 ASP A 77 86.528 -5.249 -5.631 1.00 0.00 O ATOM 1460 OD2 ASP A 77 87.209 -7.325 -5.512 1.00 0.00 O ATOM 0 H ASP A 77 90.345 -5.357 -2.293 1.00 0.00 H new ATOM 0 HA ASP A 77 87.721 -4.415 -3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 77 89.089 -4.823 -5.269 1.00 0.00 H new ATOM 0 HB3 ASP A 77 89.401 -6.457 -4.718 1.00 0.00 H new ATOM 1465 N TYR A 78 86.732 -6.688 -2.434 1.00 0.00 N ATOM 1466 CA TYR A 78 86.186 -7.770 -1.620 1.00 0.00 C ATOM 1467 C TYR A 78 85.823 -8.969 -2.490 1.00 0.00 C ATOM 1468 O TYR A 78 85.120 -8.838 -3.497 1.00 0.00 O ATOM 1469 CB TYR A 78 84.957 -7.294 -0.826 1.00 0.00 C ATOM 1470 CG TYR A 78 83.731 -7.014 -1.671 1.00 0.00 C ATOM 1471 CD1 TYR A 78 83.677 -5.914 -2.511 1.00 0.00 C ATOM 1472 CD2 TYR A 78 82.628 -7.859 -1.630 1.00 0.00 C ATOM 1473 CE1 TYR A 78 82.564 -5.660 -3.285 1.00 0.00 C ATOM 1474 CE2 TYR A 78 81.510 -7.614 -2.403 1.00 0.00 C ATOM 1475 CZ TYR A 78 81.482 -6.512 -3.229 1.00 0.00 C ATOM 1476 OH TYR A 78 80.373 -6.260 -4.006 1.00 0.00 O ATOM 0 H TYR A 78 86.051 -6.223 -3.034 1.00 0.00 H new ATOM 0 HA TYR A 78 86.955 -8.077 -0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 78 84.705 -8.051 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 78 85.221 -6.388 -0.281 1.00 0.00 H new ATOM 0 HD1 TYR A 78 84.522 -5.243 -2.561 1.00 0.00 H new ATOM 0 HD2 TYR A 78 82.646 -8.723 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 78 82.540 -4.796 -3.933 1.00 0.00 H new ATOM 0 HE2 TYR A 78 80.663 -8.282 -2.360 1.00 0.00 H new ATOM 0 HH TYR A 78 79.700 -6.955 -3.850 1.00 0.00 H new ATOM 1486 N VAL A 79 86.309 -10.139 -2.106 1.00 0.00 N ATOM 1487 CA VAL A 79 85.994 -11.361 -2.828 1.00 0.00 C ATOM 1488 C VAL A 79 85.518 -12.443 -1.869 1.00 0.00 C ATOM 1489 O VAL A 79 86.037 -12.589 -0.757 1.00 0.00 O ATOM 1490 CB VAL A 79 87.194 -11.886 -3.651 1.00 0.00 C ATOM 1491 CG1 VAL A 79 87.553 -10.910 -4.761 1.00 0.00 C ATOM 1492 CG2 VAL A 79 88.396 -12.146 -2.757 1.00 0.00 C ATOM 0 H VAL A 79 86.921 -10.268 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 79 85.195 -11.114 -3.527 1.00 0.00 H new ATOM 0 HB VAL A 79 86.901 -12.832 -4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 79 88.399 -11.299 -5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 79 86.698 -10.785 -5.426 1.00 0.00 H new ATOM 0 HG13 VAL A 79 87.819 -9.946 -4.326 1.00 0.00 H new ATOM 0 HG21 VAL A 79 89.226 -12.514 -3.361 1.00 0.00 H new ATOM 0 HG22 VAL A 79 88.690 -11.220 -2.264 1.00 0.00 H new ATOM 0 HG23 VAL A 79 88.136 -12.891 -2.005 1.00 0.00 H new ATOM 1502 N GLU A 80 84.509 -13.179 -2.291 1.00 0.00 N ATOM 1503 CA GLU A 80 83.978 -14.268 -1.497 1.00 0.00 C ATOM 1504 C GLU A 80 84.870 -15.503 -1.618 1.00 0.00 C ATOM 1505 O GLU A 80 84.708 -16.310 -2.534 1.00 0.00 O ATOM 1506 CB GLU A 80 82.546 -14.595 -1.939 1.00 0.00 C ATOM 1507 CG GLU A 80 81.910 -15.740 -1.171 1.00 0.00 C ATOM 1508 CD GLU A 80 80.512 -16.056 -1.649 1.00 0.00 C ATOM 1509 OE1 GLU A 80 80.357 -16.442 -2.826 1.00 0.00 O ATOM 1510 OE2 GLU A 80 79.559 -15.917 -0.855 1.00 0.00 O ATOM 0 H GLU A 80 84.038 -13.041 -3.185 1.00 0.00 H new ATOM 0 HA GLU A 80 83.959 -13.960 -0.452 1.00 0.00 H new ATOM 0 HB2 GLU A 80 81.928 -13.705 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 80 82.552 -14.842 -3.001 1.00 0.00 H new ATOM 0 HG2 GLU A 80 82.533 -16.629 -1.270 1.00 0.00 H new ATOM 0 HG3 GLU A 80 81.879 -15.488 -0.111 1.00 0.00 H new ATOM 1517 N LEU A 81 85.856 -15.610 -0.733 1.00 0.00 N ATOM 1518 CA LEU A 81 86.671 -16.817 -0.660 1.00 0.00 C ATOM 1519 C LEU A 81 85.868 -17.935 -0.002 1.00 0.00 C ATOM 1520 O LEU A 81 85.832 -19.067 -0.488 1.00 0.00 O ATOM 1521 CB LEU A 81 87.962 -16.567 0.128 1.00 0.00 C ATOM 1522 CG LEU A 81 88.854 -15.433 -0.395 1.00 0.00 C ATOM 1523 CD1 LEU A 81 90.123 -15.342 0.434 1.00 0.00 C ATOM 1524 CD2 LEU A 81 89.201 -15.634 -1.863 1.00 0.00 C ATOM 0 H LEU A 81 86.108 -14.884 -0.063 1.00 0.00 H new ATOM 0 HA LEU A 81 86.946 -17.109 -1.673 1.00 0.00 H new ATOM 0 HB2 LEU A 81 87.697 -16.348 1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 81 88.545 -17.488 0.136 1.00 0.00 H new ATOM 0 HG LEU A 81 88.299 -14.499 -0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 81 90.749 -14.534 0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 81 89.865 -15.143 1.474 1.00 0.00 H new ATOM 0 HD13 LEU A 81 90.668 -16.284 0.370 1.00 0.00 H new ATOM 0 HD21 LEU A 81 89.834 -14.814 -2.203 1.00 0.00 H new ATOM 0 HD22 LEU A 81 89.733 -16.577 -1.985 1.00 0.00 H new ATOM 0 HD23 LEU A 81 88.285 -15.655 -2.454 1.00 0.00 H new ATOM 1536 N GLU A 82 85.213 -17.598 1.101 1.00 0.00 N ATOM 1537 CA GLU A 82 84.362 -18.539 1.815 1.00 0.00 C ATOM 1538 C GLU A 82 82.897 -18.211 1.548 1.00 0.00 C ATOM 1539 O GLU A 82 82.534 -17.041 1.475 1.00 0.00 O ATOM 1540 CB GLU A 82 84.646 -18.481 3.318 1.00 0.00 C ATOM 1541 CG GLU A 82 86.043 -18.936 3.700 1.00 0.00 C ATOM 1542 CD GLU A 82 86.303 -20.377 3.327 1.00 0.00 C ATOM 1543 OE1 GLU A 82 85.677 -21.271 3.928 1.00 0.00 O ATOM 1544 OE2 GLU A 82 87.126 -20.626 2.425 1.00 0.00 O ATOM 0 H GLU A 82 85.256 -16.671 1.523 1.00 0.00 H new ATOM 0 HA GLU A 82 84.576 -19.547 1.460 1.00 0.00 H new ATOM 0 HB2 GLU A 82 84.500 -17.458 3.666 1.00 0.00 H new ATOM 0 HB3 GLU A 82 83.917 -19.102 3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 82 86.777 -18.298 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 82 86.182 -18.811 4.774 1.00 0.00 H new ATOM 1551 N PRO A 83 82.043 -19.235 1.394 1.00 0.00 N ATOM 1552 CA PRO A 83 80.622 -19.050 1.076 1.00 0.00 C ATOM 1553 C PRO A 83 79.899 -18.164 2.089 1.00 0.00 C ATOM 1554 O PRO A 83 79.714 -18.546 3.249 1.00 0.00 O ATOM 1555 CB PRO A 83 80.050 -20.475 1.107 1.00 0.00 C ATOM 1556 CG PRO A 83 81.069 -21.295 1.822 1.00 0.00 C ATOM 1557 CD PRO A 83 82.392 -20.655 1.524 1.00 0.00 C ATOM 0 HA PRO A 83 80.492 -18.546 0.118 1.00 0.00 H new ATOM 0 HB2 PRO A 83 79.091 -20.502 1.624 1.00 0.00 H new ATOM 0 HB3 PRO A 83 79.879 -20.852 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 83 80.875 -21.311 2.895 1.00 0.00 H new ATOM 0 HG3 PRO A 83 81.049 -22.329 1.479 1.00 0.00 H new ATOM 0 HD2 PRO A 83 83.112 -20.823 2.325 1.00 0.00 H new ATOM 0 HD3 PRO A 83 82.835 -21.048 0.609 1.00 0.00 H new ATOM 1565 N GLY A 84 79.499 -16.976 1.648 1.00 0.00 N ATOM 1566 CA GLY A 84 78.793 -16.060 2.517 1.00 0.00 C ATOM 1567 C GLY A 84 79.730 -15.123 3.248 1.00 0.00 C ATOM 1568 O GLY A 84 79.289 -14.289 4.040 1.00 0.00 O ATOM 0 H GLY A 84 79.653 -16.633 0.700 1.00 0.00 H new ATOM 0 HA2 GLY A 84 78.086 -15.476 1.928 1.00 0.00 H new ATOM 0 HA3 GLY A 84 78.211 -16.627 3.243 1.00 0.00 H new ATOM 1572 N GLN A 85 81.020 -15.255 2.982 1.00 0.00 N ATOM 1573 CA GLN A 85 82.023 -14.430 3.639 1.00 0.00 C ATOM 1574 C GLN A 85 82.763 -13.580 2.617 1.00 0.00 C ATOM 1575 O GLN A 85 83.473 -14.101 1.755 1.00 0.00 O ATOM 1576 CB GLN A 85 83.017 -15.311 4.397 1.00 0.00 C ATOM 1577 CG GLN A 85 84.083 -14.529 5.150 1.00 0.00 C ATOM 1578 CD GLN A 85 85.111 -15.433 5.806 1.00 0.00 C ATOM 1579 OE1 GLN A 85 86.148 -15.749 5.219 1.00 0.00 O ATOM 1580 NE2 GLN A 85 84.824 -15.860 7.025 1.00 0.00 N ATOM 0 H GLN A 85 81.398 -15.927 2.314 1.00 0.00 H new ATOM 0 HA GLN A 85 81.519 -13.771 4.346 1.00 0.00 H new ATOM 0 HB2 GLN A 85 82.470 -15.934 5.104 1.00 0.00 H new ATOM 0 HB3 GLN A 85 83.504 -15.983 3.691 1.00 0.00 H new ATOM 0 HG2 GLN A 85 84.587 -13.851 4.461 1.00 0.00 H new ATOM 0 HG3 GLN A 85 83.607 -13.913 5.912 1.00 0.00 H new ATOM 0 HE21 GLN A 85 83.954 -15.574 7.474 1.00 0.00 H new ATOM 0 HE22 GLN A 85 85.473 -16.475 7.516 1.00 0.00 H new ATOM 1589 N PHE A 86 82.602 -12.275 2.717 1.00 0.00 N ATOM 1590 CA PHE A 86 83.276 -11.366 1.810 1.00 0.00 C ATOM 1591 C PHE A 86 84.606 -10.938 2.403 1.00 0.00 C ATOM 1592 O PHE A 86 84.665 -10.103 3.309 1.00 0.00 O ATOM 1593 CB PHE A 86 82.397 -10.155 1.505 1.00 0.00 C ATOM 1594 CG PHE A 86 81.124 -10.515 0.791 1.00 0.00 C ATOM 1595 CD1 PHE A 86 81.136 -10.811 -0.563 1.00 0.00 C ATOM 1596 CD2 PHE A 86 79.921 -10.562 1.473 1.00 0.00 C ATOM 1597 CE1 PHE A 86 79.971 -11.147 -1.223 1.00 0.00 C ATOM 1598 CE2 PHE A 86 78.752 -10.896 0.817 1.00 0.00 C ATOM 1599 CZ PHE A 86 78.778 -11.189 -0.533 1.00 0.00 C ATOM 0 H PHE A 86 82.012 -11.821 3.415 1.00 0.00 H new ATOM 0 HA PHE A 86 83.465 -11.883 0.869 1.00 0.00 H new ATOM 0 HB2 PHE A 86 82.152 -9.647 2.438 1.00 0.00 H new ATOM 0 HB3 PHE A 86 82.961 -9.448 0.896 1.00 0.00 H new ATOM 0 HD1 PHE A 86 82.068 -10.778 -1.108 1.00 0.00 H new ATOM 0 HD2 PHE A 86 79.896 -10.335 2.529 1.00 0.00 H new ATOM 0 HE1 PHE A 86 79.994 -11.377 -2.278 1.00 0.00 H new ATOM 0 HE2 PHE A 86 77.818 -10.928 1.359 1.00 0.00 H new ATOM 0 HZ PHE A 86 77.865 -11.451 -1.047 1.00 0.00 H new ATOM 1609 N HIS A 87 85.669 -11.529 1.893 1.00 0.00 N ATOM 1610 CA HIS A 87 87.004 -11.281 2.404 1.00 0.00 C ATOM 1611 C HIS A 87 87.712 -10.262 1.526 1.00 0.00 C ATOM 1612 O HIS A 87 87.861 -10.461 0.319 1.00 0.00 O ATOM 1613 CB HIS A 87 87.786 -12.601 2.462 1.00 0.00 C ATOM 1614 CG HIS A 87 89.225 -12.461 2.860 1.00 0.00 C ATOM 1615 ND1 HIS A 87 89.646 -12.371 4.167 1.00 0.00 N ATOM 1616 CD2 HIS A 87 90.341 -12.410 2.104 1.00 0.00 C ATOM 1617 CE1 HIS A 87 90.962 -12.268 4.198 1.00 0.00 C ATOM 1618 NE2 HIS A 87 91.413 -12.290 2.956 1.00 0.00 N ATOM 0 H HIS A 87 85.633 -12.191 1.118 1.00 0.00 H new ATOM 0 HA HIS A 87 86.942 -10.873 3.413 1.00 0.00 H new ATOM 0 HB2 HIS A 87 87.292 -13.269 3.167 1.00 0.00 H new ATOM 0 HB3 HIS A 87 87.739 -13.079 1.483 1.00 0.00 H new ATOM 0 HD2 HIS A 87 90.384 -12.455 1.026 1.00 0.00 H new ATOM 0 HE1 HIS A 87 91.568 -12.181 5.088 1.00 0.00 H new ATOM 0 HE2 HIS A 87 92.392 -12.228 2.677 1.00 0.00 H new ATOM 1627 N PHE A 88 88.136 -9.169 2.133 1.00 0.00 N ATOM 1628 CA PHE A 88 88.818 -8.110 1.413 1.00 0.00 C ATOM 1629 C PHE A 88 90.244 -8.528 1.090 1.00 0.00 C ATOM 1630 O PHE A 88 90.961 -9.029 1.958 1.00 0.00 O ATOM 1631 CB PHE A 88 88.825 -6.814 2.224 1.00 0.00 C ATOM 1632 CG PHE A 88 87.456 -6.248 2.477 1.00 0.00 C ATOM 1633 CD1 PHE A 88 86.888 -5.355 1.578 1.00 0.00 C ATOM 1634 CD2 PHE A 88 86.740 -6.600 3.607 1.00 0.00 C ATOM 1635 CE1 PHE A 88 85.630 -4.831 1.806 1.00 0.00 C ATOM 1636 CE2 PHE A 88 85.483 -6.079 3.839 1.00 0.00 C ATOM 1637 CZ PHE A 88 84.927 -5.191 2.938 1.00 0.00 C ATOM 0 H PHE A 88 88.019 -8.991 3.130 1.00 0.00 H new ATOM 0 HA PHE A 88 88.279 -7.931 0.483 1.00 0.00 H new ATOM 0 HB2 PHE A 88 89.314 -6.998 3.181 1.00 0.00 H new ATOM 0 HB3 PHE A 88 89.424 -6.070 1.698 1.00 0.00 H new ATOM 0 HD1 PHE A 88 87.435 -5.067 0.692 1.00 0.00 H new ATOM 0 HD2 PHE A 88 87.170 -7.291 4.317 1.00 0.00 H new ATOM 0 HE1 PHE A 88 85.197 -4.140 1.098 1.00 0.00 H new ATOM 0 HE2 PHE A 88 84.934 -6.365 4.724 1.00 0.00 H new ATOM 0 HZ PHE A 88 83.945 -4.780 3.119 1.00 0.00 H new ATOM 1647 N ILE A 89 90.644 -8.336 -0.152 1.00 0.00 N ATOM 1648 CA ILE A 89 91.990 -8.666 -0.580 1.00 0.00 C ATOM 1649 C ILE A 89 92.746 -7.398 -0.953 1.00 0.00 C ATOM 1650 O ILE A 89 92.192 -6.491 -1.578 1.00 0.00 O ATOM 1651 CB ILE A 89 91.992 -9.654 -1.771 1.00 0.00 C ATOM 1652 CG1 ILE A 89 91.221 -9.072 -2.963 1.00 0.00 C ATOM 1653 CG2 ILE A 89 91.403 -10.991 -1.347 1.00 0.00 C ATOM 1654 CD1 ILE A 89 91.294 -9.926 -4.212 1.00 0.00 C ATOM 0 H ILE A 89 90.051 -7.950 -0.887 1.00 0.00 H new ATOM 0 HA ILE A 89 92.490 -9.156 0.256 1.00 0.00 H new ATOM 0 HB ILE A 89 93.023 -9.815 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 89 90.176 -8.945 -2.681 1.00 0.00 H new ATOM 0 HG13 ILE A 89 91.613 -8.080 -3.188 1.00 0.00 H new ATOM 0 HG21 ILE A 89 91.410 -11.677 -2.194 1.00 0.00 H new ATOM 0 HG22 ILE A 89 91.998 -11.410 -0.536 1.00 0.00 H new ATOM 0 HG23 ILE A 89 90.378 -10.845 -1.007 1.00 0.00 H new ATOM 0 HD11 ILE A 89 90.726 -9.451 -5.011 1.00 0.00 H new ATOM 0 HD12 ILE A 89 92.334 -10.032 -4.520 1.00 0.00 H new ATOM 0 HD13 ILE A 89 90.875 -10.911 -4.005 1.00 0.00 H new ATOM 1666 N PHE A 90 94.000 -7.329 -0.545 1.00 0.00 N ATOM 1667 CA PHE A 90 94.825 -6.166 -0.814 1.00 0.00 C ATOM 1668 C PHE A 90 95.814 -6.474 -1.928 1.00 0.00 C ATOM 1669 O PHE A 90 96.799 -7.182 -1.719 1.00 0.00 O ATOM 1670 CB PHE A 90 95.574 -5.736 0.447 1.00 0.00 C ATOM 1671 CG PHE A 90 94.678 -5.382 1.604 1.00 0.00 C ATOM 1672 CD1 PHE A 90 94.286 -6.348 2.516 1.00 0.00 C ATOM 1673 CD2 PHE A 90 94.238 -4.079 1.783 1.00 0.00 C ATOM 1674 CE1 PHE A 90 93.470 -6.025 3.584 1.00 0.00 C ATOM 1675 CE2 PHE A 90 93.424 -3.749 2.851 1.00 0.00 C ATOM 1676 CZ PHE A 90 93.039 -4.724 3.752 1.00 0.00 C ATOM 0 H PHE A 90 94.471 -8.068 -0.024 1.00 0.00 H new ATOM 0 HA PHE A 90 94.178 -5.348 -1.129 1.00 0.00 H new ATOM 0 HB2 PHE A 90 96.242 -6.541 0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 90 96.200 -4.876 0.209 1.00 0.00 H new ATOM 0 HD1 PHE A 90 94.622 -7.367 2.391 1.00 0.00 H new ATOM 0 HD2 PHE A 90 94.534 -3.314 1.081 1.00 0.00 H new ATOM 0 HE1 PHE A 90 93.170 -6.789 4.286 1.00 0.00 H new ATOM 0 HE2 PHE A 90 93.089 -2.730 2.981 1.00 0.00 H new ATOM 0 HZ PHE A 90 92.402 -4.469 4.586 1.00 0.00 H new ATOM 1686 N LEU A 91 95.538 -5.956 -3.112 1.00 0.00 N ATOM 1687 CA LEU A 91 96.389 -6.196 -4.264 1.00 0.00 C ATOM 1688 C LEU A 91 97.437 -5.104 -4.390 1.00 0.00 C ATOM 1689 O LEU A 91 97.113 -3.920 -4.488 1.00 0.00 O ATOM 1690 CB LEU A 91 95.555 -6.276 -5.543 1.00 0.00 C ATOM 1691 CG LEU A 91 94.569 -7.442 -5.597 1.00 0.00 C ATOM 1692 CD1 LEU A 91 93.678 -7.334 -6.826 1.00 0.00 C ATOM 1693 CD2 LEU A 91 95.312 -8.770 -5.591 1.00 0.00 C ATOM 0 H LEU A 91 94.729 -5.365 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 91 96.895 -7.150 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 91 95.000 -5.345 -5.656 1.00 0.00 H new ATOM 0 HB3 LEU A 91 96.230 -6.351 -6.395 1.00 0.00 H new ATOM 0 HG LEU A 91 93.937 -7.397 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 91 92.983 -8.173 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 91 93.118 -6.400 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 91 94.294 -7.351 -7.725 1.00 0.00 H new ATOM 0 HD21 LEU A 91 94.594 -9.589 -5.630 1.00 0.00 H new ATOM 0 HD22 LEU A 91 95.970 -8.823 -6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 91 95.905 -8.851 -4.680 1.00 0.00 H new ATOM 1705 N ASN A 92 98.690 -5.509 -4.374 1.00 0.00 N ATOM 1706 CA ASN A 92 99.799 -4.577 -4.511 1.00 0.00 C ATOM 1707 C ASN A 92 100.490 -4.771 -5.855 1.00 0.00 C ATOM 1708 O ASN A 92 101.103 -5.807 -6.104 1.00 0.00 O ATOM 1709 CB ASN A 92 100.801 -4.760 -3.365 1.00 0.00 C ATOM 1710 CG ASN A 92 102.025 -3.869 -3.506 1.00 0.00 C ATOM 1711 OD1 ASN A 92 101.969 -2.796 -4.111 1.00 0.00 O ATOM 1712 ND2 ASN A 92 103.141 -4.303 -2.941 1.00 0.00 N ATOM 0 H ASN A 92 98.971 -6.484 -4.267 1.00 0.00 H new ATOM 0 HA ASN A 92 99.404 -3.562 -4.465 1.00 0.00 H new ATOM 0 HB2 ASN A 92 100.307 -4.544 -2.418 1.00 0.00 H new ATOM 0 HB3 ASN A 92 101.118 -5.802 -3.328 1.00 0.00 H new ATOM 0 HD21 ASN A 92 103.992 -3.744 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 92 103.149 -5.196 -2.449 1.00 0.00 H new