USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 608 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 23 SER OG : rot 25:sc= 0.135 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0568 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 32 THR OG1 : rot 78:sc= 0.931 USER MOD Single : A 36 ASN : amide:sc= -0.117 K(o=-0.12,f=-3.8!) USER MOD Single : A 39 SER OG : rot 68:sc= 0.242 USER MOD Single : A 41 HIS : no HD1:sc= 0.195 K(o=0.19,f=-1.7!) USER MOD Single : A 43 LYS NZ :NH3+ -148:sc= 1 (180deg=-0.493!) USER MOD Single : A 45 HIS : no HE2:sc= 0.402 K(o=0.4,f=-1.4) USER MOD Single : A 46 LYS NZ :NH3+ 171:sc= 0.598 (180deg=0.494) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 50 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 51 SER OG : rot -56:sc= 0.813 USER MOD Single : A 52 HIS :FLIP no HD1:sc=-0.00436 F(o=-0.7,f=-0.0044) USER MOD Single : A 57 MET CE :methyl -166:sc= -0.779 (180deg=-1.19) USER MOD Single : A 58 MET CE :methyl -115:sc= -2.23! (180deg=-3.54!) USER MOD Single : A 61 GLN : amide:sc= -0.166 X(o=-0.17,f=-0.26) USER MOD Single : A 68 TYR OH : rot -129:sc= 1.23 USER MOD Single : A 70 GLN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 77 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00321) USER MOD ----------------------------------------------------------------- ATOM 215 N GLU A 13 -15.767 12.351 -3.694 1.00 1.00 N ATOM 216 CA GLU A 13 -16.240 11.173 -4.419 1.00 1.00 C ATOM 217 C GLU A 13 -16.431 9.905 -3.565 1.00 1.00 C ATOM 218 O GLU A 13 -17.385 9.153 -3.787 1.00 1.00 O ATOM 219 CB GLU A 13 -15.307 10.886 -5.597 1.00 1.00 C ATOM 220 CG GLU A 13 -13.846 10.682 -5.222 1.00 1.00 C ATOM 221 CD GLU A 13 -12.952 10.547 -6.445 1.00 1.00 C ATOM 222 OE1 GLU A 13 -12.852 9.430 -6.988 1.00 1.00 O ATOM 223 OE2 GLU A 13 -12.345 11.565 -6.868 1.00 1.00 O ATOM 0 HA GLU A 13 -17.242 11.426 -4.766 1.00 1.00 H new ATOM 0 HB2 GLU A 13 -15.662 9.995 -6.114 1.00 1.00 H new ATOM 0 HB3 GLU A 13 -15.374 11.713 -6.304 1.00 1.00 H new ATOM 0 HG2 GLU A 13 -13.507 11.523 -4.617 1.00 1.00 H new ATOM 0 HG3 GLU A 13 -13.752 9.788 -4.605 1.00 1.00 H new ATOM 230 N PHE A 14 -15.563 9.650 -2.596 1.00 1.00 N ATOM 231 CA PHE A 14 -15.700 8.428 -1.779 1.00 1.00 C ATOM 232 C PHE A 14 -16.403 8.704 -0.449 1.00 1.00 C ATOM 233 O PHE A 14 -17.563 8.339 -0.253 1.00 1.00 O ATOM 234 CB PHE A 14 -14.336 7.801 -1.478 1.00 1.00 C ATOM 235 CG PHE A 14 -13.574 7.307 -2.675 1.00 1.00 C ATOM 236 CD1 PHE A 14 -13.879 6.079 -3.236 1.00 1.00 C ATOM 237 CD2 PHE A 14 -12.539 8.052 -3.223 1.00 1.00 C ATOM 238 CE1 PHE A 14 -13.167 5.599 -4.317 1.00 1.00 C ATOM 239 CE2 PHE A 14 -11.825 7.577 -4.309 1.00 1.00 C ATOM 240 CZ PHE A 14 -12.142 6.349 -4.857 1.00 1.00 C ATOM 0 H PHE A 14 -14.773 10.248 -2.352 1.00 1.00 H new ATOM 0 HA PHE A 14 -16.303 7.739 -2.369 1.00 1.00 H new ATOM 0 HB2 PHE A 14 -13.724 8.538 -0.958 1.00 1.00 H new ATOM 0 HB3 PHE A 14 -14.482 6.966 -0.792 1.00 1.00 H new ATOM 0 HD1 PHE A 14 -14.684 5.489 -2.823 1.00 1.00 H new ATOM 0 HD2 PHE A 14 -12.288 9.012 -2.797 1.00 1.00 H new ATOM 0 HE1 PHE A 14 -13.412 4.636 -4.740 1.00 1.00 H new ATOM 0 HE2 PHE A 14 -11.022 8.165 -4.727 1.00 1.00 H new ATOM 0 HZ PHE A 14 -11.589 5.977 -5.706 1.00 1.00 H new ATOM 358 N SER A 23 -14.415 4.985 6.424 1.00 1.00 N ATOM 359 CA SER A 23 -15.006 3.786 5.841 1.00 1.00 C ATOM 360 C SER A 23 -14.020 3.003 4.970 1.00 1.00 C ATOM 361 O SER A 23 -13.042 3.538 4.447 1.00 1.00 O ATOM 362 CB SER A 23 -16.267 4.157 5.060 1.00 1.00 C ATOM 363 OG SER A 23 -17.168 4.842 5.916 1.00 1.00 O ATOM 0 HA SER A 23 -15.276 3.119 6.660 1.00 1.00 H new ATOM 0 HB2 SER A 23 -16.008 4.786 4.208 1.00 1.00 H new ATOM 0 HB3 SER A 23 -16.739 3.259 4.662 1.00 1.00 H new ATOM 0 HG SER A 23 -16.669 5.263 6.647 1.00 1.00 H new ATOM 369 N THR A 24 -14.335 1.734 4.800 1.00 1.00 N ATOM 370 CA THR A 24 -13.507 0.773 4.061 1.00 1.00 C ATOM 371 C THR A 24 -13.125 1.225 2.645 1.00 1.00 C ATOM 372 O THR A 24 -11.953 1.181 2.272 1.00 1.00 O ATOM 373 CB THR A 24 -14.249 -0.569 3.996 1.00 1.00 C ATOM 374 OG1 THR A 24 -14.843 -0.835 5.274 1.00 1.00 O ATOM 375 CG2 THR A 24 -13.320 -1.708 3.637 1.00 1.00 C ATOM 0 H THR A 24 -15.190 1.324 5.176 1.00 1.00 H new ATOM 0 HA THR A 24 -12.566 0.685 4.605 1.00 1.00 H new ATOM 0 HB THR A 24 -15.011 -0.498 3.220 1.00 1.00 H new ATOM 0 HG1 THR A 24 -15.321 -1.690 5.241 1.00 1.00 H new ATOM 0 HG21 THR A 24 -13.884 -2.640 3.601 1.00 1.00 H new ATOM 0 HG22 THR A 24 -12.871 -1.518 2.662 1.00 1.00 H new ATOM 0 HG23 THR A 24 -12.535 -1.788 4.389 1.00 1.00 H new ATOM 383 N GLU A 25 -14.108 1.658 1.870 1.00 1.00 N ATOM 384 CA GLU A 25 -13.885 2.127 0.490 1.00 1.00 C ATOM 385 C GLU A 25 -12.789 3.187 0.446 1.00 1.00 C ATOM 386 O GLU A 25 -11.818 3.099 -0.310 1.00 1.00 O ATOM 387 CB GLU A 25 -15.165 2.761 -0.075 1.00 1.00 C ATOM 388 CG GLU A 25 -16.412 1.889 -0.001 1.00 1.00 C ATOM 389 CD GLU A 25 -17.138 1.970 1.327 1.00 1.00 C ATOM 390 OE1 GLU A 25 -16.639 1.397 2.319 1.00 1.00 O ATOM 391 OE2 GLU A 25 -18.219 2.590 1.364 1.00 1.00 O ATOM 0 H GLU A 25 -15.083 1.698 2.168 1.00 1.00 H new ATOM 0 HA GLU A 25 -13.593 1.260 -0.102 1.00 1.00 H new ATOM 0 HB2 GLU A 25 -15.359 3.689 0.463 1.00 1.00 H new ATOM 0 HB3 GLU A 25 -14.989 3.027 -1.117 1.00 1.00 H new ATOM 0 HG2 GLU A 25 -17.097 2.182 -0.797 1.00 1.00 H new ATOM 0 HG3 GLU A 25 -16.131 0.853 -0.188 1.00 1.00 H new ATOM 398 N VAL A 26 -12.970 4.177 1.294 1.00 1.00 N ATOM 399 CA VAL A 26 -12.063 5.304 1.416 1.00 1.00 C ATOM 400 C VAL A 26 -10.699 4.866 1.916 1.00 1.00 C ATOM 401 O VAL A 26 -9.664 5.373 1.487 1.00 1.00 O ATOM 402 CB VAL A 26 -12.661 6.308 2.410 1.00 1.00 C ATOM 403 CG1 VAL A 26 -11.810 7.558 2.541 1.00 1.00 C ATOM 404 CG2 VAL A 26 -14.077 6.647 1.991 1.00 1.00 C ATOM 0 H VAL A 26 -13.766 4.224 1.931 1.00 1.00 H new ATOM 0 HA VAL A 26 -11.936 5.756 0.432 1.00 1.00 H new ATOM 0 HB VAL A 26 -12.680 5.845 3.397 1.00 1.00 H new ATOM 0 HG11 VAL A 26 -12.272 8.240 3.255 1.00 1.00 H new ATOM 0 HG12 VAL A 26 -10.815 7.285 2.892 1.00 1.00 H new ATOM 0 HG13 VAL A 26 -11.731 8.048 1.570 1.00 1.00 H new ATOM 0 HG21 VAL A 26 -14.504 7.360 2.696 1.00 1.00 H new ATOM 0 HG22 VAL A 26 -14.066 7.085 0.993 1.00 1.00 H new ATOM 0 HG23 VAL A 26 -14.681 5.740 1.982 1.00 1.00 H new ATOM 414 N GLN A 27 -10.711 3.897 2.802 1.00 1.00 N ATOM 415 CA GLN A 27 -9.485 3.400 3.383 1.00 1.00 C ATOM 416 C GLN A 27 -8.685 2.552 2.383 1.00 1.00 C ATOM 417 O GLN A 27 -7.462 2.628 2.347 1.00 1.00 O ATOM 418 CB GLN A 27 -9.790 2.650 4.668 1.00 1.00 C ATOM 419 CG GLN A 27 -8.568 2.023 5.308 1.00 1.00 C ATOM 420 CD GLN A 27 -8.880 1.384 6.641 1.00 1.00 C ATOM 421 OE1 GLN A 27 -9.983 0.919 6.882 1.00 1.00 O ATOM 422 NE2 GLN A 27 -7.906 1.357 7.521 1.00 1.00 N ATOM 0 H GLN A 27 -11.557 3.437 3.137 1.00 1.00 H new ATOM 0 HA GLN A 27 -8.847 4.248 3.633 1.00 1.00 H new ATOM 0 HB2 GLN A 27 -10.251 3.336 5.379 1.00 1.00 H new ATOM 0 HB3 GLN A 27 -10.521 1.869 4.459 1.00 1.00 H new ATOM 0 HG2 GLN A 27 -8.154 1.271 4.636 1.00 1.00 H new ATOM 0 HG3 GLN A 27 -7.801 2.785 5.444 1.00 1.00 H new ATOM 0 HE21 GLN A 27 -6.996 1.755 7.287 1.00 1.00 H new ATOM 0 HE22 GLN A 27 -8.059 0.938 8.438 1.00 1.00 H new ATOM 431 N VAL A 28 -9.362 1.747 1.567 1.00 1.00 N ATOM 432 CA VAL A 28 -8.663 0.976 0.543 1.00 1.00 C ATOM 433 C VAL A 28 -8.157 1.947 -0.521 1.00 1.00 C ATOM 434 O VAL A 28 -7.109 1.743 -1.140 1.00 1.00 O ATOM 435 CB VAL A 28 -9.555 -0.104 -0.099 1.00 1.00 C ATOM 436 CG1 VAL A 28 -8.806 -0.881 -1.176 1.00 1.00 C ATOM 437 CG2 VAL A 28 -10.082 -1.052 0.964 1.00 1.00 C ATOM 0 H VAL A 28 -10.373 1.613 1.593 1.00 1.00 H new ATOM 0 HA VAL A 28 -7.834 0.447 1.014 1.00 1.00 H new ATOM 0 HB VAL A 28 -10.396 0.399 -0.576 1.00 1.00 H new ATOM 0 HG11 VAL A 28 -9.466 -1.634 -1.607 1.00 1.00 H new ATOM 0 HG12 VAL A 28 -8.478 -0.196 -1.958 1.00 1.00 H new ATOM 0 HG13 VAL A 28 -7.937 -1.370 -0.735 1.00 1.00 H new ATOM 0 HG21 VAL A 28 -10.711 -1.810 0.496 1.00 1.00 H new ATOM 0 HG22 VAL A 28 -9.245 -1.535 1.468 1.00 1.00 H new ATOM 0 HG23 VAL A 28 -10.669 -0.492 1.692 1.00 1.00 H new ATOM 447 N ALA A 29 -8.906 3.026 -0.710 1.00 1.00 N ATOM 448 CA ALA A 29 -8.508 4.062 -1.645 1.00 1.00 C ATOM 449 C ALA A 29 -7.234 4.726 -1.137 1.00 1.00 C ATOM 450 O ALA A 29 -6.294 4.957 -1.890 1.00 1.00 O ATOM 451 CB ALA A 29 -9.613 5.092 -1.828 1.00 1.00 C ATOM 0 H ALA A 29 -9.788 3.203 -0.229 1.00 1.00 H new ATOM 0 HA ALA A 29 -8.321 3.609 -2.619 1.00 1.00 H new ATOM 0 HB1 ALA A 29 -9.286 5.855 -2.534 1.00 1.00 H new ATOM 0 HB2 ALA A 29 -10.507 4.602 -2.213 1.00 1.00 H new ATOM 0 HB3 ALA A 29 -9.839 5.558 -0.869 1.00 1.00 H new ATOM 457 N LEU A 30 -7.182 4.990 0.162 1.00 1.00 N ATOM 458 CA LEU A 30 -5.997 5.607 0.742 1.00 1.00 C ATOM 459 C LEU A 30 -4.871 4.576 0.914 1.00 1.00 C ATOM 460 O LEU A 30 -3.695 4.921 0.850 1.00 1.00 O ATOM 461 CB LEU A 30 -6.325 6.338 2.064 1.00 1.00 C ATOM 462 CG LEU A 30 -6.653 5.475 3.303 1.00 1.00 C ATOM 463 CD1 LEU A 30 -5.396 4.961 4.005 1.00 1.00 C ATOM 464 CD2 LEU A 30 -7.505 6.276 4.285 1.00 1.00 C ATOM 0 H LEU A 30 -7.932 4.791 0.824 1.00 1.00 H new ATOM 0 HA LEU A 30 -5.639 6.367 0.047 1.00 1.00 H new ATOM 0 HB2 LEU A 30 -5.476 6.974 2.314 1.00 1.00 H new ATOM 0 HB3 LEU A 30 -7.174 6.997 1.881 1.00 1.00 H new ATOM 0 HG LEU A 30 -7.208 4.605 2.953 1.00 1.00 H new ATOM 0 HD11 LEU A 30 -5.681 4.360 4.869 1.00 1.00 H new ATOM 0 HD12 LEU A 30 -4.817 4.349 3.313 1.00 1.00 H new ATOM 0 HD13 LEU A 30 -4.792 5.806 4.335 1.00 1.00 H new ATOM 0 HD21 LEU A 30 -7.732 5.661 5.156 1.00 1.00 H new ATOM 0 HD22 LEU A 30 -6.958 7.164 4.601 1.00 1.00 H new ATOM 0 HD23 LEU A 30 -8.434 6.576 3.800 1.00 1.00 H new ATOM 476 N LEU A 31 -5.234 3.307 1.088 1.00 1.00 N ATOM 477 CA LEU A 31 -4.246 2.252 1.248 1.00 1.00 C ATOM 478 C LEU A 31 -3.526 2.040 -0.094 1.00 1.00 C ATOM 479 O LEU A 31 -2.303 1.905 -0.159 1.00 1.00 O ATOM 480 CB LEU A 31 -4.925 0.985 1.834 1.00 1.00 C ATOM 481 CG LEU A 31 -5.383 -0.155 0.881 1.00 1.00 C ATOM 482 CD1 LEU A 31 -4.217 -0.910 0.269 1.00 1.00 C ATOM 483 CD2 LEU A 31 -6.266 -1.129 1.649 1.00 1.00 C ATOM 0 H LEU A 31 -6.203 2.989 1.121 1.00 1.00 H new ATOM 0 HA LEU A 31 -3.474 2.524 1.968 1.00 1.00 H new ATOM 0 HB2 LEU A 31 -4.233 0.549 2.554 1.00 1.00 H new ATOM 0 HB3 LEU A 31 -5.801 1.314 2.393 1.00 1.00 H new ATOM 0 HG LEU A 31 -5.936 0.307 0.063 1.00 1.00 H new ATOM 0 HD11 LEU A 31 -4.595 -1.694 -0.387 1.00 1.00 H new ATOM 0 HD12 LEU A 31 -3.600 -0.221 -0.307 1.00 1.00 H new ATOM 0 HD13 LEU A 31 -3.618 -1.358 1.061 1.00 1.00 H new ATOM 0 HD21 LEU A 31 -6.589 -1.930 0.984 1.00 1.00 H new ATOM 0 HD22 LEU A 31 -5.703 -1.553 2.480 1.00 1.00 H new ATOM 0 HD23 LEU A 31 -7.139 -0.603 2.034 1.00 1.00 H new ATOM 495 N THR A 32 -4.285 2.094 -1.174 1.00 1.00 N ATOM 496 CA THR A 32 -3.720 1.961 -2.510 1.00 1.00 C ATOM 497 C THR A 32 -2.939 3.236 -2.875 1.00 1.00 C ATOM 498 O THR A 32 -1.902 3.174 -3.533 1.00 1.00 O ATOM 499 CB THR A 32 -4.827 1.663 -3.539 1.00 1.00 C ATOM 500 OG1 THR A 32 -5.556 0.493 -3.123 1.00 1.00 O ATOM 501 CG2 THR A 32 -4.255 1.423 -4.924 1.00 1.00 C ATOM 0 H THR A 32 -5.296 2.229 -1.155 1.00 1.00 H new ATOM 0 HA THR A 32 -3.026 1.120 -2.524 1.00 1.00 H new ATOM 0 HB THR A 32 -5.485 2.531 -3.588 1.00 1.00 H new ATOM 0 HG1 THR A 32 -6.177 0.733 -2.404 1.00 1.00 H new ATOM 0 HG21 THR A 32 -5.066 1.216 -5.622 1.00 1.00 H new ATOM 0 HG22 THR A 32 -3.711 2.309 -5.252 1.00 1.00 H new ATOM 0 HG23 THR A 32 -3.576 0.571 -4.895 1.00 1.00 H new ATOM 509 N LEU A 33 -3.429 4.389 -2.408 1.00 1.00 N ATOM 510 CA LEU A 33 -2.751 5.675 -2.632 1.00 1.00 C ATOM 511 C LEU A 33 -1.425 5.694 -1.850 1.00 1.00 C ATOM 512 O LEU A 33 -0.434 6.292 -2.275 1.00 1.00 O ATOM 513 CB LEU A 33 -3.669 6.821 -2.190 1.00 1.00 C ATOM 514 CG LEU A 33 -3.160 8.243 -2.445 1.00 1.00 C ATOM 515 CD1 LEU A 33 -2.920 8.481 -3.929 1.00 1.00 C ATOM 516 CD2 LEU A 33 -4.161 9.252 -1.900 1.00 1.00 C ATOM 0 H LEU A 33 -4.294 4.460 -1.872 1.00 1.00 H new ATOM 0 HA LEU A 33 -2.529 5.803 -3.692 1.00 1.00 H new ATOM 0 HB2 LEU A 33 -4.627 6.706 -2.697 1.00 1.00 H new ATOM 0 HB3 LEU A 33 -3.859 6.713 -1.122 1.00 1.00 H new ATOM 0 HG LEU A 33 -2.208 8.368 -1.930 1.00 1.00 H new ATOM 0 HD11 LEU A 33 -2.559 9.498 -4.081 1.00 1.00 H new ATOM 0 HD12 LEU A 33 -2.176 7.774 -4.295 1.00 1.00 H new ATOM 0 HD13 LEU A 33 -3.853 8.342 -4.475 1.00 1.00 H new ATOM 0 HD21 LEU A 33 -3.796 10.262 -2.083 1.00 1.00 H new ATOM 0 HD22 LEU A 33 -5.121 9.117 -2.398 1.00 1.00 H new ATOM 0 HD23 LEU A 33 -4.284 9.100 -0.828 1.00 1.00 H new ATOM 528 N ARG A 34 -1.435 5.035 -0.691 1.00 1.00 N ATOM 529 CA ARG A 34 -0.246 4.884 0.151 1.00 1.00 C ATOM 530 C ARG A 34 0.801 4.077 -0.633 1.00 1.00 C ATOM 531 O ARG A 34 1.961 4.470 -0.723 1.00 1.00 O ATOM 532 CB ARG A 34 -0.652 4.171 1.456 1.00 1.00 C ATOM 533 CG ARG A 34 0.409 4.098 2.558 1.00 1.00 C ATOM 534 CD ARG A 34 -0.161 3.381 3.797 1.00 1.00 C ATOM 535 NE ARG A 34 0.739 3.388 4.971 1.00 1.00 N ATOM 536 CZ ARG A 34 0.743 2.469 5.917 1.00 1.00 C ATOM 537 NH1 ARG A 34 0.032 1.392 5.805 1.00 1.00 N ATOM 538 NH2 ARG A 34 1.493 2.624 6.968 1.00 1.00 N ATOM 0 H ARG A 34 -2.269 4.590 -0.308 1.00 1.00 H new ATOM 0 HA ARG A 34 0.185 5.851 0.412 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.529 4.676 1.861 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -0.956 3.154 1.208 1.00 1.00 H new ATOM 0 HG2 ARG A 34 1.287 3.566 2.193 1.00 1.00 H new ATOM 0 HG3 ARG A 34 0.734 5.103 2.827 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.104 3.853 4.074 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -0.387 2.348 3.533 1.00 1.00 H new ATOM 0 HE ARG A 34 1.403 4.158 5.055 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -0.543 1.244 4.975 1.00 1.00 H new ATOM 0 HH12 ARG A 34 0.047 0.692 6.546 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.077 3.455 7.060 1.00 1.00 H new ATOM 0 HH22 ARG A 34 1.497 1.914 7.701 1.00 1.00 H new ATOM 552 N ILE A 35 0.359 2.953 -1.221 1.00 1.00 N ATOM 553 CA ILE A 35 1.230 2.109 -2.057 1.00 1.00 C ATOM 554 C ILE A 35 1.729 2.923 -3.259 1.00 1.00 C ATOM 555 O ILE A 35 2.919 2.945 -3.570 1.00 1.00 O ATOM 556 CB ILE A 35 0.481 0.852 -2.581 1.00 1.00 C ATOM 557 CG1 ILE A 35 -0.018 -0.002 -1.411 1.00 1.00 C ATOM 558 CG2 ILE A 35 1.378 0.026 -3.498 1.00 1.00 C ATOM 559 CD1 ILE A 35 -0.862 -1.194 -1.823 1.00 1.00 C ATOM 0 H ILE A 35 -0.597 2.607 -1.133 1.00 1.00 H new ATOM 0 HA ILE A 35 2.066 1.780 -1.440 1.00 1.00 H new ATOM 0 HB ILE A 35 -0.380 1.188 -3.159 1.00 1.00 H new ATOM 0 HG12 ILE A 35 0.842 -0.359 -0.844 1.00 1.00 H new ATOM 0 HG13 ILE A 35 -0.602 0.628 -0.740 1.00 1.00 H new ATOM 0 HG21 ILE A 35 0.831 -0.848 -3.851 1.00 1.00 H new ATOM 0 HG22 ILE A 35 1.683 0.632 -4.351 1.00 1.00 H new ATOM 0 HG23 ILE A 35 2.262 -0.297 -2.948 1.00 1.00 H new ATOM 0 HD11 ILE A 35 -1.173 -1.744 -0.935 1.00 1.00 H new ATOM 0 HD12 ILE A 35 -1.743 -0.847 -2.362 1.00 1.00 H new ATOM 0 HD13 ILE A 35 -0.276 -1.849 -2.468 1.00 1.00 H new ATOM 571 N ASN A 36 0.783 3.601 -3.910 1.00 1.00 N ATOM 572 CA ASN A 36 1.053 4.461 -5.065 1.00 1.00 C ATOM 573 C ASN A 36 2.169 5.464 -4.784 1.00 1.00 C ATOM 574 O ASN A 36 3.165 5.516 -5.499 1.00 1.00 O ATOM 575 CB ASN A 36 -0.233 5.224 -5.435 1.00 1.00 C ATOM 576 CG ASN A 36 -0.018 6.391 -6.391 1.00 1.00 C ATOM 577 OD1 ASN A 36 0.204 7.519 -5.970 1.00 1.00 O ATOM 578 ND2 ASN A 36 -0.120 6.141 -7.681 1.00 1.00 N ATOM 0 H ASN A 36 -0.202 3.569 -3.648 1.00 1.00 H new ATOM 0 HA ASN A 36 1.377 3.825 -5.889 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -0.939 4.526 -5.886 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -0.695 5.599 -4.521 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -0.013 6.897 -8.357 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -0.305 5.191 -8.003 1.00 1.00 H new ATOM 585 N ARG A 37 2.038 6.229 -3.712 1.00 1.00 N ATOM 586 CA ARG A 37 3.039 7.245 -3.428 1.00 1.00 C ATOM 587 C ARG A 37 4.262 6.658 -2.742 1.00 1.00 C ATOM 588 O ARG A 37 5.289 7.323 -2.613 1.00 1.00 O ATOM 589 CB ARG A 37 2.430 8.413 -2.674 1.00 1.00 C ATOM 590 CG ARG A 37 1.351 9.072 -3.514 1.00 1.00 C ATOM 591 CD ARG A 37 0.775 10.322 -2.869 1.00 1.00 C ATOM 592 NE ARG A 37 0.168 10.069 -1.555 1.00 1.00 N ATOM 593 CZ ARG A 37 -0.849 10.743 -1.077 1.00 1.00 C ATOM 594 NH1 ARG A 37 -1.524 11.541 -1.829 1.00 1.00 N ATOM 595 NH2 ARG A 37 -1.222 10.587 0.145 1.00 1.00 N ATOM 0 H ARG A 37 1.272 6.170 -3.041 1.00 1.00 H new ATOM 0 HA ARG A 37 3.398 7.642 -4.377 1.00 1.00 H new ATOM 0 HB2 ARG A 37 2.007 8.066 -1.731 1.00 1.00 H new ATOM 0 HB3 ARG A 37 3.204 9.140 -2.427 1.00 1.00 H new ATOM 0 HG2 ARG A 37 1.765 9.331 -4.489 1.00 1.00 H new ATOM 0 HG3 ARG A 37 0.547 8.357 -3.689 1.00 1.00 H new ATOM 0 HD2 ARG A 37 1.566 11.064 -2.760 1.00 1.00 H new ATOM 0 HD3 ARG A 37 0.024 10.752 -3.532 1.00 1.00 H new ATOM 0 HE ARG A 37 0.562 9.324 -0.980 1.00 1.00 H new ATOM 0 HH11 ARG A 37 -1.269 11.655 -2.810 1.00 1.00 H new ATOM 0 HH12 ARG A 37 -2.313 12.059 -1.444 1.00 1.00 H new ATOM 0 HH21 ARG A 37 -0.725 9.934 0.751 1.00 1.00 H new ATOM 0 HH22 ARG A 37 -2.015 11.116 0.508 1.00 1.00 H new ATOM 609 N LEU A 38 4.158 5.405 -2.312 1.00 1.00 N ATOM 610 CA LEU A 38 5.298 4.730 -1.741 1.00 1.00 C ATOM 611 C LEU A 38 6.197 4.323 -2.888 1.00 1.00 C ATOM 612 O LEU A 38 7.413 4.428 -2.815 1.00 1.00 O ATOM 613 CB LEU A 38 4.893 3.499 -0.950 1.00 1.00 C ATOM 614 CG LEU A 38 6.077 2.757 -0.329 1.00 1.00 C ATOM 615 CD1 LEU A 38 6.705 3.584 0.784 1.00 1.00 C ATOM 616 CD2 LEU A 38 5.654 1.397 0.185 1.00 1.00 C ATOM 0 H LEU A 38 3.304 4.849 -2.351 1.00 1.00 H new ATOM 0 HA LEU A 38 5.805 5.401 -1.047 1.00 1.00 H new ATOM 0 HB2 LEU A 38 4.205 3.796 -0.159 1.00 1.00 H new ATOM 0 HB3 LEU A 38 4.351 2.818 -1.606 1.00 1.00 H new ATOM 0 HG LEU A 38 6.826 2.605 -1.106 1.00 1.00 H new ATOM 0 HD11 LEU A 38 7.546 3.038 1.213 1.00 1.00 H new ATOM 0 HD12 LEU A 38 7.057 4.532 0.378 1.00 1.00 H new ATOM 0 HD13 LEU A 38 5.963 3.774 1.559 1.00 1.00 H new ATOM 0 HD21 LEU A 38 6.514 0.889 0.622 1.00 1.00 H new ATOM 0 HD22 LEU A 38 4.881 1.519 0.944 1.00 1.00 H new ATOM 0 HD23 LEU A 38 5.262 0.802 -0.640 1.00 1.00 H new ATOM 628 N SER A 39 5.581 3.853 -3.957 1.00 1.00 N ATOM 629 CA SER A 39 6.326 3.489 -5.145 1.00 1.00 C ATOM 630 C SER A 39 7.034 4.728 -5.704 1.00 1.00 C ATOM 631 O SER A 39 8.200 4.662 -6.071 1.00 1.00 O ATOM 632 CB SER A 39 5.400 2.867 -6.192 1.00 1.00 C ATOM 633 OG SER A 39 4.792 1.686 -5.680 1.00 1.00 O ATOM 0 H SER A 39 4.573 3.715 -4.026 1.00 1.00 H new ATOM 0 HA SER A 39 7.077 2.743 -4.883 1.00 1.00 H new ATOM 0 HB2 SER A 39 4.631 3.584 -6.478 1.00 1.00 H new ATOM 0 HB3 SER A 39 5.966 2.631 -7.093 1.00 1.00 H new ATOM 0 HG SER A 39 4.164 1.924 -4.966 1.00 1.00 H new ATOM 639 N GLU A 40 6.348 5.880 -5.722 1.00 1.00 N ATOM 640 CA GLU A 40 6.975 7.118 -6.218 1.00 1.00 C ATOM 641 C GLU A 40 8.067 7.572 -5.244 1.00 1.00 C ATOM 642 O GLU A 40 9.034 8.237 -5.624 1.00 1.00 O ATOM 643 CB GLU A 40 5.952 8.233 -6.422 1.00 1.00 C ATOM 644 CG GLU A 40 4.886 7.872 -7.442 1.00 1.00 C ATOM 645 CD GLU A 40 5.478 7.342 -8.744 1.00 1.00 C ATOM 646 OE1 GLU A 40 6.172 8.105 -9.452 1.00 1.00 O ATOM 647 OE2 GLU A 40 5.270 6.152 -9.068 1.00 1.00 O ATOM 0 H GLU A 40 5.383 5.983 -5.408 1.00 1.00 H new ATOM 0 HA GLU A 40 7.418 6.902 -7.190 1.00 1.00 H new ATOM 0 HB2 GLU A 40 5.475 8.461 -5.469 1.00 1.00 H new ATOM 0 HB3 GLU A 40 6.467 9.138 -6.745 1.00 1.00 H new ATOM 0 HG2 GLU A 40 4.221 7.120 -7.017 1.00 1.00 H new ATOM 0 HG3 GLU A 40 4.279 8.752 -7.655 1.00 1.00 H new ATOM 654 N HIS A 41 7.893 7.197 -3.977 1.00 1.00 N ATOM 655 CA HIS A 41 8.855 7.495 -2.937 1.00 1.00 C ATOM 656 C HIS A 41 10.121 6.668 -3.199 1.00 1.00 C ATOM 657 O HIS A 41 11.230 7.194 -3.232 1.00 1.00 O ATOM 658 CB HIS A 41 8.212 7.137 -1.586 1.00 1.00 C ATOM 659 CG HIS A 41 9.023 7.441 -0.356 1.00 1.00 C ATOM 660 ND1 HIS A 41 9.027 8.665 0.279 1.00 1.00 N ATOM 661 CD2 HIS A 41 9.800 6.626 0.407 1.00 1.00 C ATOM 662 CE1 HIS A 41 9.781 8.558 1.381 1.00 1.00 C ATOM 663 NE2 HIS A 41 10.271 7.342 1.506 1.00 1.00 N ATOM 0 H HIS A 41 7.078 6.678 -3.651 1.00 1.00 H new ATOM 0 HA HIS A 41 9.133 8.549 -2.925 1.00 1.00 H new ATOM 0 HB2 HIS A 41 7.263 7.667 -1.509 1.00 1.00 H new ATOM 0 HB3 HIS A 41 7.983 6.071 -1.589 1.00 1.00 H new ATOM 0 HD2 HIS A 41 10.017 5.590 0.195 1.00 1.00 H new ATOM 0 HE1 HIS A 41 9.963 9.364 2.076 1.00 1.00 H new ATOM 0 HE2 HIS A 41 10.872 6.995 2.254 1.00 1.00 H new ATOM 671 N LEU A 42 9.915 5.372 -3.447 1.00 1.00 N ATOM 672 CA LEU A 42 11.004 4.426 -3.725 1.00 1.00 C ATOM 673 C LEU A 42 11.668 4.685 -5.099 1.00 1.00 C ATOM 674 O LEU A 42 12.796 4.257 -5.338 1.00 1.00 O ATOM 675 CB LEU A 42 10.461 2.989 -3.684 1.00 1.00 C ATOM 676 CG LEU A 42 10.431 2.296 -2.307 1.00 1.00 C ATOM 677 CD1 LEU A 42 9.861 3.197 -1.220 1.00 1.00 C ATOM 678 CD2 LEU A 42 9.611 1.019 -2.394 1.00 1.00 C ATOM 0 H LEU A 42 8.988 4.946 -3.461 1.00 1.00 H new ATOM 0 HA LEU A 42 11.765 4.568 -2.957 1.00 1.00 H new ATOM 0 HB2 LEU A 42 9.446 2.998 -4.082 1.00 1.00 H new ATOM 0 HB3 LEU A 42 11.063 2.379 -4.358 1.00 1.00 H new ATOM 0 HG LEU A 42 11.461 2.064 -2.035 1.00 1.00 H new ATOM 0 HD11 LEU A 42 9.861 2.664 -0.269 1.00 1.00 H new ATOM 0 HD12 LEU A 42 10.474 4.094 -1.133 1.00 1.00 H new ATOM 0 HD13 LEU A 42 8.840 3.478 -1.479 1.00 1.00 H new ATOM 0 HD21 LEU A 42 9.592 0.532 -1.419 1.00 1.00 H new ATOM 0 HD22 LEU A 42 8.593 1.260 -2.699 1.00 1.00 H new ATOM 0 HD23 LEU A 42 10.060 0.348 -3.126 1.00 1.00 H new ATOM 690 N LYS A 43 10.974 5.389 -6.004 1.00 1.00 N ATOM 691 CA LYS A 43 11.536 5.695 -7.336 1.00 1.00 C ATOM 692 C LYS A 43 12.540 6.848 -7.246 1.00 1.00 C ATOM 693 O LYS A 43 13.060 7.353 -8.243 1.00 1.00 O ATOM 694 CB LYS A 43 10.424 5.990 -8.337 1.00 1.00 C ATOM 695 CG LYS A 43 9.679 4.729 -8.747 1.00 1.00 C ATOM 696 CD LYS A 43 8.341 5.030 -9.405 1.00 1.00 C ATOM 697 CE LYS A 43 8.487 5.858 -10.670 1.00 1.00 C ATOM 698 NZ LYS A 43 7.157 6.247 -11.212 1.00 1.00 N ATOM 0 H LYS A 43 10.035 5.755 -5.846 1.00 1.00 H new ATOM 0 HA LYS A 43 12.074 4.818 -7.696 1.00 1.00 H new ATOM 0 HB2 LYS A 43 9.722 6.700 -7.900 1.00 1.00 H new ATOM 0 HB3 LYS A 43 10.849 6.464 -9.222 1.00 1.00 H new ATOM 0 HG2 LYS A 43 10.297 4.153 -9.436 1.00 1.00 H new ATOM 0 HG3 LYS A 43 9.516 4.105 -7.868 1.00 1.00 H new ATOM 0 HD2 LYS A 43 7.839 4.093 -9.644 1.00 1.00 H new ATOM 0 HD3 LYS A 43 7.704 5.562 -8.698 1.00 1.00 H new ATOM 0 HE2 LYS A 43 9.072 6.753 -10.457 1.00 1.00 H new ATOM 0 HE3 LYS A 43 9.036 5.289 -11.420 1.00 1.00 H new ATOM 0 HZ1 LYS A 43 7.208 6.306 -12.249 1.00 1.00 H new ATOM 0 HZ2 LYS A 43 6.450 5.535 -10.940 1.00 1.00 H new ATOM 0 HZ3 LYS A 43 6.882 7.173 -10.826 1.00 1.00 H new ATOM 712 N VAL A 44 12.785 7.238 -6.015 1.00 1.00 N ATOM 713 CA VAL A 44 13.746 8.258 -5.658 1.00 1.00 C ATOM 714 C VAL A 44 14.596 7.646 -4.551 1.00 1.00 C ATOM 715 O VAL A 44 15.823 7.520 -4.665 1.00 1.00 O ATOM 716 CB VAL A 44 13.071 9.550 -5.142 1.00 1.00 C ATOM 717 CG1 VAL A 44 14.119 10.585 -4.763 1.00 1.00 C ATOM 718 CG2 VAL A 44 12.107 10.124 -6.173 1.00 1.00 C ATOM 0 H VAL A 44 12.305 6.841 -5.208 1.00 1.00 H new ATOM 0 HA VAL A 44 14.329 8.549 -6.531 1.00 1.00 H new ATOM 0 HB VAL A 44 12.495 9.291 -4.253 1.00 1.00 H new ATOM 0 HG11 VAL A 44 13.625 11.487 -4.402 1.00 1.00 H new ATOM 0 HG12 VAL A 44 14.760 10.183 -3.978 1.00 1.00 H new ATOM 0 HG13 VAL A 44 14.724 10.827 -5.637 1.00 1.00 H new ATOM 0 HG21 VAL A 44 11.650 11.031 -5.778 1.00 1.00 H new ATOM 0 HG22 VAL A 44 12.651 10.360 -7.088 1.00 1.00 H new ATOM 0 HG23 VAL A 44 11.330 9.392 -6.392 1.00 1.00 H new ATOM 728 N HIS A 45 13.898 7.208 -3.505 1.00 1.00 N ATOM 729 CA HIS A 45 14.517 6.542 -2.368 1.00 1.00 C ATOM 730 C HIS A 45 14.914 5.127 -2.753 1.00 1.00 C ATOM 731 O HIS A 45 14.138 4.183 -2.625 1.00 1.00 O ATOM 732 CB HIS A 45 13.561 6.494 -1.178 1.00 1.00 C ATOM 733 CG HIS A 45 13.546 7.739 -0.353 1.00 1.00 C ATOM 734 ND1 HIS A 45 13.420 7.736 1.016 1.00 1.00 N ATOM 735 CD2 HIS A 45 13.642 9.042 -0.719 1.00 1.00 C ATOM 736 CE1 HIS A 45 13.446 9.003 1.434 1.00 1.00 C ATOM 737 NE2 HIS A 45 13.579 9.836 0.422 1.00 1.00 N ATOM 0 H HIS A 45 12.886 7.307 -3.425 1.00 1.00 H new ATOM 0 HA HIS A 45 15.403 7.109 -2.082 1.00 1.00 H new ATOM 0 HB2 HIS A 45 12.552 6.302 -1.544 1.00 1.00 H new ATOM 0 HB3 HIS A 45 13.834 5.653 -0.541 1.00 1.00 H new ATOM 0 HD1 HIS A 45 13.324 6.911 1.608 1.00 1.00 H new ATOM 0 HD2 HIS A 45 13.750 9.404 -1.731 1.00 1.00 H new ATOM 0 HE1 HIS A 45 13.368 9.306 2.468 1.00 1.00 H new ATOM 745 N LYS A 46 16.132 4.991 -3.225 1.00 1.00 N ATOM 746 CA LYS A 46 16.636 3.695 -3.639 1.00 1.00 C ATOM 747 C LYS A 46 17.131 2.904 -2.419 1.00 1.00 C ATOM 748 O LYS A 46 17.473 1.732 -2.509 1.00 1.00 O ATOM 749 CB LYS A 46 17.683 3.869 -4.744 1.00 1.00 C ATOM 750 CG LYS A 46 18.727 4.948 -4.476 1.00 1.00 C ATOM 751 CD LYS A 46 19.563 5.245 -5.720 1.00 1.00 C ATOM 752 CE LYS A 46 18.734 5.822 -6.870 1.00 1.00 C ATOM 753 NZ LYS A 46 18.046 7.099 -6.515 1.00 1.00 N ATOM 0 H LYS A 46 16.794 5.759 -3.333 1.00 1.00 H new ATOM 0 HA LYS A 46 15.836 3.097 -4.075 1.00 1.00 H new ATOM 0 HB2 LYS A 46 18.195 2.918 -4.893 1.00 1.00 H new ATOM 0 HB3 LYS A 46 17.170 4.104 -5.677 1.00 1.00 H new ATOM 0 HG2 LYS A 46 18.231 5.860 -4.144 1.00 1.00 H new ATOM 0 HG3 LYS A 46 19.382 4.628 -3.665 1.00 1.00 H new ATOM 0 HD2 LYS A 46 20.354 5.948 -5.461 1.00 1.00 H new ATOM 0 HD3 LYS A 46 20.048 4.328 -6.053 1.00 1.00 H new ATOM 0 HE2 LYS A 46 19.384 5.993 -7.728 1.00 1.00 H new ATOM 0 HE3 LYS A 46 17.989 5.088 -7.176 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 17.629 7.518 -7.371 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 17.295 6.908 -5.821 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 18.735 7.762 -6.105 1.00 1.00 H new ATOM 767 N LYS A 47 17.181 3.587 -1.277 1.00 1.00 N ATOM 768 CA LYS A 47 17.501 2.948 0.001 1.00 1.00 C ATOM 769 C LYS A 47 16.169 2.592 0.682 1.00 1.00 C ATOM 770 O LYS A 47 16.135 1.985 1.754 1.00 1.00 O ATOM 771 CB LYS A 47 18.289 3.900 0.916 1.00 1.00 C ATOM 772 CG LYS A 47 17.501 5.145 1.321 1.00 1.00 C ATOM 773 CD LYS A 47 18.298 6.060 2.244 1.00 1.00 C ATOM 774 CE LYS A 47 18.603 5.399 3.580 1.00 1.00 C ATOM 775 NZ LYS A 47 19.269 6.341 4.522 1.00 1.00 N ATOM 0 H LYS A 47 17.003 4.589 -1.209 1.00 1.00 H new ATOM 0 HA LYS A 47 18.115 2.065 -0.176 1.00 1.00 H new ATOM 0 HB2 LYS A 47 18.590 3.362 1.815 1.00 1.00 H new ATOM 0 HB3 LYS A 47 19.203 4.207 0.407 1.00 1.00 H new ATOM 0 HG2 LYS A 47 17.213 5.697 0.426 1.00 1.00 H new ATOM 0 HG3 LYS A 47 16.580 4.843 1.819 1.00 1.00 H new ATOM 0 HD2 LYS A 47 19.232 6.341 1.757 1.00 1.00 H new ATOM 0 HD3 LYS A 47 17.738 6.980 2.414 1.00 1.00 H new ATOM 0 HE2 LYS A 47 17.677 5.033 4.025 1.00 1.00 H new ATOM 0 HE3 LYS A 47 19.244 4.532 3.419 1.00 1.00 H new ATOM 0 HZ1 LYS A 47 19.461 5.855 5.421 1.00 1.00 H new ATOM 0 HZ2 LYS A 47 20.165 6.670 4.108 1.00 1.00 H new ATOM 0 HZ3 LYS A 47 18.647 7.156 4.695 1.00 1.00 H new ATOM 789 N ASP A 48 15.079 3.021 0.015 1.00 1.00 N ATOM 790 CA ASP A 48 13.692 2.847 0.481 1.00 1.00 C ATOM 791 C ASP A 48 13.435 3.756 1.689 1.00 1.00 C ATOM 792 O ASP A 48 12.956 4.888 1.551 1.00 1.00 O ATOM 793 CB ASP A 48 13.376 1.366 0.834 1.00 1.00 C ATOM 794 CG ASP A 48 11.935 1.118 1.286 1.00 1.00 C ATOM 795 OD1 ASP A 48 11.538 1.626 2.365 1.00 1.00 O ATOM 796 OD2 ASP A 48 11.216 0.382 0.587 1.00 1.00 O ATOM 0 H ASP A 48 15.141 3.507 -0.880 1.00 1.00 H new ATOM 0 HA ASP A 48 13.026 3.129 -0.334 1.00 1.00 H new ATOM 0 HB2 ASP A 48 13.582 0.745 -0.038 1.00 1.00 H new ATOM 0 HB3 ASP A 48 14.053 1.041 1.624 1.00 1.00 H new ATOM 801 N HIS A 49 13.921 3.275 2.828 1.00 1.00 N ATOM 802 CA HIS A 49 13.744 3.878 4.148 1.00 1.00 C ATOM 803 C HIS A 49 13.630 2.711 5.127 1.00 1.00 C ATOM 804 O HIS A 49 13.886 2.833 6.321 1.00 1.00 O ATOM 805 CB HIS A 49 12.433 4.688 4.232 1.00 1.00 C ATOM 806 CG HIS A 49 12.308 5.581 5.434 1.00 1.00 C ATOM 807 ND1 HIS A 49 11.577 5.262 6.563 1.00 1.00 N ATOM 808 CD2 HIS A 49 12.804 6.822 5.653 1.00 1.00 C ATOM 809 CE1 HIS A 49 11.650 6.301 7.408 1.00 1.00 C ATOM 810 NE2 HIS A 49 12.381 7.271 6.902 1.00 1.00 N ATOM 0 H HIS A 49 14.473 2.418 2.860 1.00 1.00 H new ATOM 0 HA HIS A 49 14.574 4.551 4.362 1.00 1.00 H new ATOM 0 HB2 HIS A 49 12.345 5.300 3.334 1.00 1.00 H new ATOM 0 HB3 HIS A 49 11.594 3.992 4.228 1.00 1.00 H new ATOM 0 HD2 HIS A 49 13.429 7.376 4.968 1.00 1.00 H new ATOM 0 HE1 HIS A 49 11.172 6.337 8.376 1.00 1.00 H new ATOM 0 HE2 HIS A 49 12.595 8.169 7.336 1.00 1.00 H new ATOM 818 N HIS A 50 13.249 1.572 4.530 1.00 1.00 N ATOM 819 CA HIS A 50 12.965 0.298 5.210 1.00 1.00 C ATOM 820 C HIS A 50 11.565 0.399 5.746 1.00 1.00 C ATOM 821 O HIS A 50 11.207 -0.122 6.804 1.00 1.00 O ATOM 822 CB HIS A 50 13.952 -0.077 6.307 1.00 1.00 C ATOM 823 CG HIS A 50 15.173 -0.734 5.763 1.00 1.00 C ATOM 824 ND1 HIS A 50 15.255 -2.079 5.475 1.00 1.00 N ATOM 825 CD2 HIS A 50 16.370 -0.205 5.427 1.00 1.00 C ATOM 826 CE1 HIS A 50 16.475 -2.319 4.986 1.00 1.00 C ATOM 827 NE2 HIS A 50 17.191 -1.215 4.935 1.00 1.00 N ATOM 0 H HIS A 50 13.125 1.510 3.519 1.00 1.00 H new ATOM 0 HA HIS A 50 13.072 -0.510 4.486 1.00 1.00 H new ATOM 0 HB2 HIS A 50 14.238 0.819 6.858 1.00 1.00 H new ATOM 0 HB3 HIS A 50 13.467 -0.747 7.017 1.00 1.00 H new ATOM 0 HD2 HIS A 50 16.645 0.835 5.525 1.00 1.00 H new ATOM 0 HE1 HIS A 50 16.828 -3.291 4.674 1.00 1.00 H new ATOM 0 HE2 HIS A 50 18.151 -1.120 4.603 1.00 1.00 H new ATOM 835 N SER A 51 10.771 1.075 4.955 1.00 1.00 N ATOM 836 CA SER A 51 9.403 1.335 5.286 1.00 1.00 C ATOM 837 C SER A 51 8.515 0.159 4.913 1.00 1.00 C ATOM 838 O SER A 51 8.595 -0.398 3.826 1.00 1.00 O ATOM 839 CB SER A 51 8.948 2.633 4.610 1.00 1.00 C ATOM 840 OG SER A 51 9.081 2.591 3.197 1.00 1.00 O ATOM 0 H SER A 51 11.063 1.461 4.057 1.00 1.00 H new ATOM 0 HA SER A 51 9.315 1.462 6.365 1.00 1.00 H new ATOM 0 HB2 SER A 51 7.906 2.826 4.867 1.00 1.00 H new ATOM 0 HB3 SER A 51 9.532 3.466 5.001 1.00 1.00 H new ATOM 0 HG SER A 51 10.009 2.383 2.962 1.00 1.00 H new ATOM 846 N HIS A 52 7.677 -0.227 5.852 1.00 1.00 N ATOM 847 CA HIS A 52 6.755 -1.338 5.656 1.00 1.00 C ATOM 848 C HIS A 52 5.363 -0.782 5.341 1.00 1.00 C ATOM 849 O HIS A 52 4.354 -1.482 5.410 1.00 1.00 O ATOM 850 CB HIS A 52 6.713 -2.200 6.922 1.00 1.00 C ATOM 851 CG HIS A 52 8.054 -2.736 7.343 1.00 1.00 C ATOM 852 ND1 HIS A 52 8.913 -3.559 6.690 1.00 1.00 N flip ATOM 853 CD2 HIS A 52 8.653 -2.455 8.554 1.00 1.00 C flip ATOM 854 CE1 HIS A 52 10.030 -3.784 7.488 1.00 1.00 C flip ATOM 855 NE2 HIS A 52 9.828 -3.101 8.594 1.00 1.00 N flip ATOM 0 H HIS A 52 7.612 0.214 6.769 1.00 1.00 H new ATOM 0 HA HIS A 52 7.089 -1.958 4.824 1.00 1.00 H new ATOM 0 HB2 HIS A 52 6.297 -1.609 7.738 1.00 1.00 H new ATOM 0 HB3 HIS A 52 6.034 -3.037 6.757 1.00 1.00 H new ATOM 0 HD2 HIS A 52 8.247 -1.826 9.332 1.00 1.00 H new ATOM 0 HE1 HIS A 52 10.888 -4.395 7.248 1.00 1.00 H new ATOM 0 HE2 HIS A 52 10.479 -3.067 9.379 1.00 1.00 H new ATOM 863 N ARG A 53 5.361 0.494 4.954 1.00 1.00 N ATOM 864 CA ARG A 53 4.147 1.251 4.651 1.00 1.00 C ATOM 865 C ARG A 53 3.228 0.550 3.662 1.00 1.00 C ATOM 866 O ARG A 53 2.039 0.382 3.914 1.00 1.00 O ATOM 867 CB ARG A 53 4.530 2.619 4.077 1.00 1.00 C ATOM 868 CG ARG A 53 5.335 3.489 5.028 1.00 1.00 C ATOM 869 CD ARG A 53 5.981 4.667 4.297 1.00 1.00 C ATOM 870 NE ARG A 53 6.842 5.478 5.174 1.00 1.00 N ATOM 871 CZ ARG A 53 7.923 6.112 4.783 1.00 1.00 C ATOM 872 NH1 ARG A 53 8.381 5.976 3.576 1.00 1.00 N ATOM 873 NH2 ARG A 53 8.558 6.867 5.627 1.00 1.00 N ATOM 0 H ARG A 53 6.216 1.039 4.841 1.00 1.00 H new ATOM 0 HA ARG A 53 3.601 1.349 5.589 1.00 1.00 H new ATOM 0 HB2 ARG A 53 5.106 2.469 3.164 1.00 1.00 H new ATOM 0 HB3 ARG A 53 3.621 3.151 3.797 1.00 1.00 H new ATOM 0 HG2 ARG A 53 4.685 3.862 5.820 1.00 1.00 H new ATOM 0 HG3 ARG A 53 6.108 2.888 5.507 1.00 1.00 H new ATOM 0 HD2 ARG A 53 6.572 4.291 3.462 1.00 1.00 H new ATOM 0 HD3 ARG A 53 5.200 5.300 3.875 1.00 1.00 H new ATOM 0 HE ARG A 53 6.579 5.553 6.157 1.00 1.00 H new ATOM 0 HH11 ARG A 53 7.899 5.368 2.913 1.00 1.00 H new ATOM 0 HH12 ARG A 53 9.222 6.477 3.290 1.00 1.00 H new ATOM 0 HH21 ARG A 53 8.216 6.963 6.583 1.00 1.00 H new ATOM 0 HH22 ARG A 53 9.399 7.364 5.334 1.00 1.00 H new ATOM 887 N GLY A 54 3.776 0.148 2.541 1.00 1.00 N ATOM 888 CA GLY A 54 2.957 -0.491 1.543 1.00 1.00 C ATOM 889 C GLY A 54 3.649 -1.636 0.861 1.00 1.00 C ATOM 890 O GLY A 54 3.663 -1.735 -0.363 1.00 1.00 O ATOM 0 H GLY A 54 4.762 0.249 2.301 1.00 1.00 H new ATOM 0 HA2 GLY A 54 2.041 -0.853 2.010 1.00 1.00 H new ATOM 0 HA3 GLY A 54 2.663 0.246 0.796 1.00 1.00 H new ATOM 894 N LEU A 55 4.266 -2.480 1.653 1.00 1.00 N ATOM 895 CA LEU A 55 4.918 -3.654 1.116 1.00 1.00 C ATOM 896 C LEU A 55 3.891 -4.780 0.951 1.00 1.00 C ATOM 897 O LEU A 55 2.690 -4.568 1.134 1.00 1.00 O ATOM 898 CB LEU A 55 6.045 -4.118 2.032 1.00 1.00 C ATOM 899 CG LEU A 55 7.165 -3.110 2.301 1.00 1.00 C ATOM 900 CD1 LEU A 55 8.206 -3.760 3.189 1.00 1.00 C ATOM 901 CD2 LEU A 55 7.802 -2.619 1.006 1.00 1.00 C ATOM 0 H LEU A 55 4.331 -2.379 2.666 1.00 1.00 H new ATOM 0 HA LEU A 55 5.346 -3.399 0.146 1.00 1.00 H new ATOM 0 HB2 LEU A 55 5.610 -4.408 2.988 1.00 1.00 H new ATOM 0 HB3 LEU A 55 6.489 -5.014 1.599 1.00 1.00 H new ATOM 0 HG LEU A 55 6.740 -2.239 2.800 1.00 1.00 H new ATOM 0 HD11 LEU A 55 9.009 -3.050 3.387 1.00 1.00 H new ATOM 0 HD12 LEU A 55 7.745 -4.059 4.131 1.00 1.00 H new ATOM 0 HD13 LEU A 55 8.613 -4.639 2.689 1.00 1.00 H new ATOM 0 HD21 LEU A 55 8.593 -1.905 1.237 1.00 1.00 H new ATOM 0 HD22 LEU A 55 8.224 -3.465 0.465 1.00 1.00 H new ATOM 0 HD23 LEU A 55 7.045 -2.135 0.389 1.00 1.00 H new ATOM 913 N LEU A 56 4.374 -5.981 0.663 1.00 1.00 N ATOM 914 CA LEU A 56 3.511 -7.160 0.459 1.00 1.00 C ATOM 915 C LEU A 56 2.476 -7.338 1.579 1.00 1.00 C ATOM 916 O LEU A 56 1.358 -7.793 1.333 1.00 1.00 O ATOM 917 CB LEU A 56 4.367 -8.426 0.365 1.00 1.00 C ATOM 918 CG LEU A 56 5.253 -8.525 -0.879 1.00 1.00 C ATOM 919 CD1 LEU A 56 6.028 -9.832 -0.869 1.00 1.00 C ATOM 920 CD2 LEU A 56 4.423 -8.414 -2.151 1.00 1.00 C ATOM 0 H LEU A 56 5.370 -6.176 0.562 1.00 1.00 H new ATOM 0 HA LEU A 56 2.969 -6.994 -0.472 1.00 1.00 H new ATOM 0 HB2 LEU A 56 5.002 -8.482 1.249 1.00 1.00 H new ATOM 0 HB3 LEU A 56 3.708 -9.294 0.391 1.00 1.00 H new ATOM 0 HG LEU A 56 5.959 -7.694 -0.861 1.00 1.00 H new ATOM 0 HD11 LEU A 56 6.654 -9.890 -1.759 1.00 1.00 H new ATOM 0 HD12 LEU A 56 6.656 -9.876 0.021 1.00 1.00 H new ATOM 0 HD13 LEU A 56 5.330 -10.669 -0.861 1.00 1.00 H new ATOM 0 HD21 LEU A 56 5.077 -8.487 -3.020 1.00 1.00 H new ATOM 0 HD22 LEU A 56 3.690 -9.221 -2.179 1.00 1.00 H new ATOM 0 HD23 LEU A 56 3.906 -7.454 -2.166 1.00 1.00 H new ATOM 932 N MET A 57 2.866 -7.005 2.810 1.00 1.00 N ATOM 933 CA MET A 57 1.966 -7.109 3.954 1.00 1.00 C ATOM 934 C MET A 57 0.667 -6.335 3.732 1.00 1.00 C ATOM 935 O MET A 57 -0.418 -6.867 3.944 1.00 1.00 O ATOM 936 CB MET A 57 2.642 -6.597 5.225 1.00 1.00 C ATOM 937 CG MET A 57 3.631 -7.577 5.829 1.00 1.00 C ATOM 938 SD MET A 57 4.438 -6.932 7.308 1.00 1.00 S ATOM 939 CE MET A 57 5.393 -5.577 6.630 1.00 1.00 C ATOM 0 H MET A 57 3.799 -6.661 3.038 1.00 1.00 H new ATOM 0 HA MET A 57 1.724 -8.166 4.067 1.00 1.00 H new ATOM 0 HB2 MET A 57 3.160 -5.665 5.000 1.00 1.00 H new ATOM 0 HB3 MET A 57 1.876 -6.365 5.965 1.00 1.00 H new ATOM 0 HG2 MET A 57 3.112 -8.503 6.078 1.00 1.00 H new ATOM 0 HG3 MET A 57 4.389 -7.826 5.086 1.00 1.00 H new ATOM 0 HE1 MET A 57 6.126 -5.245 7.365 1.00 1.00 H new ATOM 0 HE2 MET A 57 5.908 -5.910 5.729 1.00 1.00 H new ATOM 0 HE3 MET A 57 4.727 -4.750 6.383 1.00 1.00 H new ATOM 949 N MET A 58 0.757 -5.094 3.274 1.00 1.00 N ATOM 950 CA MET A 58 -0.460 -4.319 3.069 1.00 1.00 C ATOM 951 C MET A 58 -1.111 -4.669 1.726 1.00 1.00 C ATOM 952 O MET A 58 -2.326 -4.547 1.564 1.00 1.00 O ATOM 953 CB MET A 58 -0.216 -2.821 3.199 1.00 1.00 C ATOM 954 CG MET A 58 -1.519 -2.061 3.382 1.00 1.00 C ATOM 955 SD MET A 58 -1.297 -0.283 3.555 1.00 1.00 S ATOM 956 CE MET A 58 -0.698 0.131 1.923 1.00 1.00 C ATOM 0 H MET A 58 1.627 -4.615 3.044 1.00 1.00 H new ATOM 0 HA MET A 58 -1.156 -4.591 3.862 1.00 1.00 H new ATOM 0 HB2 MET A 58 0.441 -2.630 4.048 1.00 1.00 H new ATOM 0 HB3 MET A 58 0.298 -2.456 2.310 1.00 1.00 H new ATOM 0 HG2 MET A 58 -2.167 -2.257 2.528 1.00 1.00 H new ATOM 0 HG3 MET A 58 -2.032 -2.442 4.265 1.00 1.00 H new ATOM 0 HE1 MET A 58 0.327 0.496 1.993 1.00 1.00 H new ATOM 0 HE2 MET A 58 -0.725 -0.756 1.290 1.00 1.00 H new ATOM 0 HE3 MET A 58 -1.330 0.906 1.489 1.00 1.00 H new ATOM 966 N VAL A 59 -0.302 -5.110 0.765 1.00 1.00 N ATOM 967 CA VAL A 59 -0.829 -5.542 -0.530 1.00 1.00 C ATOM 968 C VAL A 59 -1.722 -6.765 -0.304 1.00 1.00 C ATOM 969 O VAL A 59 -2.840 -6.851 -0.818 1.00 1.00 O ATOM 970 CB VAL A 59 0.302 -5.890 -1.528 1.00 1.00 C ATOM 971 CG1 VAL A 59 -0.264 -6.360 -2.860 1.00 1.00 C ATOM 972 CG2 VAL A 59 1.216 -4.693 -1.740 1.00 1.00 C ATOM 0 H VAL A 59 0.712 -5.178 0.855 1.00 1.00 H new ATOM 0 HA VAL A 59 -1.400 -4.722 -0.966 1.00 1.00 H new ATOM 0 HB VAL A 59 0.884 -6.706 -1.099 1.00 1.00 H new ATOM 0 HG11 VAL A 59 0.554 -6.597 -3.540 1.00 1.00 H new ATOM 0 HG12 VAL A 59 -0.874 -7.249 -2.703 1.00 1.00 H new ATOM 0 HG13 VAL A 59 -0.878 -5.571 -3.293 1.00 1.00 H new ATOM 0 HG21 VAL A 59 2.004 -4.958 -2.445 1.00 1.00 H new ATOM 0 HG22 VAL A 59 0.638 -3.860 -2.139 1.00 1.00 H new ATOM 0 HG23 VAL A 59 1.662 -4.403 -0.789 1.00 1.00 H new ATOM 982 N GLY A 60 -1.217 -7.704 0.490 1.00 1.00 N ATOM 983 CA GLY A 60 -1.985 -8.882 0.840 1.00 1.00 C ATOM 984 C GLY A 60 -3.173 -8.519 1.714 1.00 1.00 C ATOM 985 O GLY A 60 -4.237 -9.126 1.614 1.00 1.00 O ATOM 0 H GLY A 60 -0.283 -7.668 0.899 1.00 1.00 H new ATOM 0 HA2 GLY A 60 -2.334 -9.375 -0.067 1.00 1.00 H new ATOM 0 HA3 GLY A 60 -1.347 -9.593 1.365 1.00 1.00 H new ATOM 989 N GLN A 61 -2.990 -7.500 2.555 1.00 1.00 N ATOM 990 CA GLN A 61 -4.047 -7.034 3.447 1.00 1.00 C ATOM 991 C GLN A 61 -5.190 -6.474 2.606 1.00 1.00 C ATOM 992 O GLN A 61 -6.366 -6.619 2.944 1.00 1.00 O ATOM 993 CB GLN A 61 -3.507 -5.961 4.397 1.00 1.00 C ATOM 994 CG GLN A 61 -4.486 -5.547 5.483 1.00 1.00 C ATOM 995 CD GLN A 61 -4.911 -6.714 6.349 1.00 1.00 C ATOM 996 OE1 GLN A 61 -5.911 -7.369 6.089 1.00 1.00 O ATOM 997 NE2 GLN A 61 -4.143 -6.991 7.382 1.00 1.00 N ATOM 0 H GLN A 61 -2.115 -6.981 2.635 1.00 1.00 H new ATOM 0 HA GLN A 61 -4.411 -7.866 4.050 1.00 1.00 H new ATOM 0 HB2 GLN A 61 -2.595 -6.331 4.866 1.00 1.00 H new ATOM 0 HB3 GLN A 61 -3.232 -5.081 3.816 1.00 1.00 H new ATOM 0 HG2 GLN A 61 -4.028 -4.781 6.109 1.00 1.00 H new ATOM 0 HG3 GLN A 61 -5.367 -5.099 5.023 1.00 1.00 H new ATOM 0 HE21 GLN A 61 -3.316 -6.424 7.569 1.00 1.00 H new ATOM 0 HE22 GLN A 61 -4.375 -7.773 7.995 1.00 1.00 H new ATOM 1006 N ARG A 62 -4.820 -5.857 1.478 1.00 1.00 N ATOM 1007 CA ARG A 62 -5.788 -5.306 0.564 1.00 1.00 C ATOM 1008 C ARG A 62 -6.580 -6.444 -0.065 1.00 1.00 C ATOM 1009 O ARG A 62 -7.792 -6.363 -0.209 1.00 1.00 O ATOM 1010 CB ARG A 62 -5.090 -4.484 -0.530 1.00 1.00 C ATOM 1011 CG ARG A 62 -6.052 -3.952 -1.593 1.00 1.00 C ATOM 1012 CD ARG A 62 -5.373 -3.042 -2.631 1.00 1.00 C ATOM 1013 NE ARG A 62 -4.243 -3.690 -3.317 1.00 1.00 N ATOM 1014 CZ ARG A 62 -3.351 -3.066 -4.051 1.00 1.00 C ATOM 1015 NH1 ARG A 62 -3.421 -1.786 -4.255 1.00 1.00 N ATOM 1016 NH2 ARG A 62 -2.387 -3.740 -4.597 1.00 1.00 N ATOM 0 H ARG A 62 -3.850 -5.734 1.188 1.00 1.00 H new ATOM 0 HA ARG A 62 -6.461 -4.645 1.110 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -4.570 -3.645 -0.068 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -4.333 -5.102 -1.012 1.00 1.00 H new ATOM 0 HG2 ARG A 62 -6.516 -4.794 -2.107 1.00 1.00 H new ATOM 0 HG3 ARG A 62 -6.853 -3.398 -1.103 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -6.111 -2.733 -3.372 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -5.019 -2.138 -2.136 1.00 1.00 H new ATOM 0 HE ARG A 62 -4.146 -4.700 -3.214 1.00 1.00 H new ATOM 0 HH11 ARG A 62 -4.180 -1.244 -3.842 1.00 1.00 H new ATOM 0 HH12 ARG A 62 -2.717 -1.322 -4.829 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -2.325 -4.748 -4.455 1.00 1.00 H new ATOM 0 HH22 ARG A 62 -1.690 -3.262 -5.169 1.00 1.00 H new ATOM 1030 N ARG A 63 -5.880 -7.517 -0.420 1.00 1.00 N ATOM 1031 CA ARG A 63 -6.525 -8.670 -1.027 1.00 1.00 C ATOM 1032 C ARG A 63 -7.496 -9.337 -0.044 1.00 1.00 C ATOM 1033 O ARG A 63 -8.531 -9.858 -0.449 1.00 1.00 O ATOM 1034 CB ARG A 63 -5.472 -9.643 -1.556 1.00 1.00 C ATOM 1035 CG ARG A 63 -4.651 -9.027 -2.682 1.00 1.00 C ATOM 1036 CD ARG A 63 -3.605 -9.986 -3.248 1.00 1.00 C ATOM 1037 NE ARG A 63 -2.593 -10.381 -2.252 1.00 1.00 N ATOM 1038 CZ ARG A 63 -1.296 -10.390 -2.463 1.00 1.00 C ATOM 1039 NH1 ARG A 63 -0.796 -9.927 -3.565 1.00 1.00 N ATOM 1040 NH2 ARG A 63 -0.501 -10.835 -1.541 1.00 1.00 N ATOM 0 H ARG A 63 -4.872 -7.610 -0.298 1.00 1.00 H new ATOM 0 HA ARG A 63 -7.121 -8.338 -1.877 1.00 1.00 H new ATOM 0 HB2 ARG A 63 -4.810 -9.940 -0.743 1.00 1.00 H new ATOM 0 HB3 ARG A 63 -5.961 -10.548 -1.915 1.00 1.00 H new ATOM 0 HG2 ARG A 63 -5.320 -8.713 -3.483 1.00 1.00 H new ATOM 0 HG3 ARG A 63 -4.153 -8.130 -2.313 1.00 1.00 H new ATOM 0 HD2 ARG A 63 -4.104 -10.878 -3.626 1.00 1.00 H new ATOM 0 HD3 ARG A 63 -3.109 -9.515 -4.096 1.00 1.00 H new ATOM 0 HE ARG A 63 -2.924 -10.669 -1.331 1.00 1.00 H new ATOM 0 HH11 ARG A 63 -1.412 -9.548 -4.285 1.00 1.00 H new ATOM 0 HH12 ARG A 63 0.213 -9.941 -3.713 1.00 1.00 H new ATOM 0 HH21 ARG A 63 -0.883 -11.175 -0.659 1.00 1.00 H new ATOM 0 HH22 ARG A 63 0.507 -10.845 -1.698 1.00 1.00 H new ATOM 1054 N ARG A 64 -7.172 -9.330 1.248 1.00 1.00 N ATOM 1055 CA ARG A 64 -8.101 -9.881 2.238 1.00 1.00 C ATOM 1056 C ARG A 64 -9.232 -8.873 2.495 1.00 1.00 C ATOM 1057 O ARG A 64 -10.399 -9.242 2.605 1.00 1.00 O ATOM 1058 CB ARG A 64 -7.424 -10.197 3.586 1.00 1.00 C ATOM 1059 CG ARG A 64 -6.700 -11.543 3.664 1.00 1.00 C ATOM 1060 CD ARG A 64 -5.401 -11.563 2.863 1.00 1.00 C ATOM 1061 NE ARG A 64 -4.760 -12.895 2.853 1.00 1.00 N ATOM 1062 CZ ARG A 64 -3.479 -13.121 3.033 1.00 1.00 C ATOM 1063 NH1 ARG A 64 -2.676 -12.174 3.406 1.00 1.00 N ATOM 1064 NH2 ARG A 64 -3.012 -14.322 2.871 1.00 1.00 N ATOM 0 H ARG A 64 -6.300 -8.961 1.628 1.00 1.00 H new ATOM 0 HA ARG A 64 -8.482 -10.815 1.824 1.00 1.00 H new ATOM 0 HB2 ARG A 64 -6.707 -9.406 3.806 1.00 1.00 H new ATOM 0 HB3 ARG A 64 -8.182 -10.167 4.369 1.00 1.00 H new ATOM 0 HG2 ARG A 64 -6.482 -11.773 4.707 1.00 1.00 H new ATOM 0 HG3 ARG A 64 -7.361 -12.328 3.296 1.00 1.00 H new ATOM 0 HD2 ARG A 64 -5.606 -11.255 1.838 1.00 1.00 H new ATOM 0 HD3 ARG A 64 -4.708 -10.834 3.283 1.00 1.00 H new ATOM 0 HE ARG A 64 -5.361 -13.704 2.693 1.00 1.00 H new ATOM 0 HH11 ARG A 64 -3.036 -11.233 3.565 1.00 1.00 H new ATOM 0 HH12 ARG A 64 -1.684 -12.370 3.540 1.00 1.00 H new ATOM 0 HH21 ARG A 64 -3.639 -15.082 2.606 1.00 1.00 H new ATOM 0 HH22 ARG A 64 -2.018 -14.506 3.009 1.00 1.00 H new ATOM 1078 N LEU A 65 -8.881 -7.588 2.530 1.00 1.00 N ATOM 1079 CA LEU A 65 -9.849 -6.526 2.817 1.00 1.00 C ATOM 1080 C LEU A 65 -10.830 -6.298 1.658 1.00 1.00 C ATOM 1081 O LEU A 65 -11.991 -5.965 1.893 1.00 1.00 O ATOM 1082 CB LEU A 65 -9.115 -5.231 3.193 1.00 1.00 C ATOM 1083 CG LEU A 65 -9.986 -4.083 3.724 1.00 1.00 C ATOM 1084 CD1 LEU A 65 -10.776 -4.516 4.952 1.00 1.00 C ATOM 1085 CD2 LEU A 65 -9.115 -2.882 4.064 1.00 1.00 C ATOM 0 H LEU A 65 -7.931 -7.255 2.363 1.00 1.00 H new ATOM 0 HA LEU A 65 -10.451 -6.848 3.667 1.00 1.00 H new ATOM 0 HB2 LEU A 65 -8.366 -5.469 3.948 1.00 1.00 H new ATOM 0 HB3 LEU A 65 -8.579 -4.875 2.314 1.00 1.00 H new ATOM 0 HG LEU A 65 -10.694 -3.806 2.943 1.00 1.00 H new ATOM 0 HD11 LEU A 65 -11.383 -3.683 5.306 1.00 1.00 H new ATOM 0 HD12 LEU A 65 -11.424 -5.353 4.691 1.00 1.00 H new ATOM 0 HD13 LEU A 65 -10.087 -4.822 5.739 1.00 1.00 H new ATOM 0 HD21 LEU A 65 -9.741 -2.073 4.440 1.00 1.00 H new ATOM 0 HD22 LEU A 65 -8.389 -3.163 4.827 1.00 1.00 H new ATOM 0 HD23 LEU A 65 -8.590 -2.548 3.169 1.00 1.00 H new ATOM 1097 N LEU A 66 -10.392 -6.477 0.406 1.00 1.00 N ATOM 1098 CA LEU A 66 -11.316 -6.307 -0.715 1.00 1.00 C ATOM 1099 C LEU A 66 -12.331 -7.454 -0.720 1.00 1.00 C ATOM 1100 O LEU A 66 -13.477 -7.288 -1.128 1.00 1.00 O ATOM 1101 CB LEU A 66 -10.597 -6.132 -2.078 1.00 1.00 C ATOM 1102 CG LEU A 66 -9.568 -7.196 -2.528 1.00 1.00 C ATOM 1103 CD1 LEU A 66 -10.233 -8.480 -3.012 1.00 1.00 C ATOM 1104 CD2 LEU A 66 -8.689 -6.625 -3.643 1.00 1.00 C ATOM 0 H LEU A 66 -9.438 -6.731 0.151 1.00 1.00 H new ATOM 0 HA LEU A 66 -11.855 -5.370 -0.571 1.00 1.00 H new ATOM 0 HB2 LEU A 66 -11.365 -6.071 -2.849 1.00 1.00 H new ATOM 0 HB3 LEU A 66 -10.087 -5.169 -2.059 1.00 1.00 H new ATOM 0 HG LEU A 66 -8.961 -7.448 -1.658 1.00 1.00 H new ATOM 0 HD11 LEU A 66 -9.468 -9.194 -3.316 1.00 1.00 H new ATOM 0 HD12 LEU A 66 -10.828 -8.908 -2.205 1.00 1.00 H new ATOM 0 HD13 LEU A 66 -10.879 -8.257 -3.861 1.00 1.00 H new ATOM 0 HD21 LEU A 66 -7.966 -7.377 -3.957 1.00 1.00 H new ATOM 0 HD22 LEU A 66 -9.313 -6.345 -4.491 1.00 1.00 H new ATOM 0 HD23 LEU A 66 -8.161 -5.745 -3.276 1.00 1.00 H new ATOM 1116 N ARG A 67 -11.912 -8.614 -0.221 1.00 1.00 N ATOM 1117 CA ARG A 67 -12.807 -9.761 -0.109 1.00 1.00 C ATOM 1118 C ARG A 67 -13.794 -9.505 1.037 1.00 1.00 C ATOM 1119 O ARG A 67 -14.947 -9.931 0.997 1.00 1.00 O ATOM 1120 CB ARG A 67 -12.004 -11.041 0.137 1.00 1.00 C ATOM 1121 CG ARG A 67 -12.854 -12.303 0.175 1.00 1.00 C ATOM 1122 CD ARG A 67 -12.011 -13.549 0.447 1.00 1.00 C ATOM 1123 NE ARG A 67 -12.826 -14.776 0.472 1.00 1.00 N ATOM 1124 CZ ARG A 67 -12.527 -15.861 1.142 1.00 1.00 C ATOM 1125 NH1 ARG A 67 -11.424 -15.942 1.815 1.00 1.00 N ATOM 1126 NH2 ARG A 67 -13.334 -16.876 1.114 1.00 1.00 N ATOM 0 H ARG A 67 -10.963 -8.784 0.111 1.00 1.00 H new ATOM 0 HA ARG A 67 -13.360 -9.892 -1.039 1.00 1.00 H new ATOM 0 HB2 ARG A 67 -11.253 -11.144 -0.646 1.00 1.00 H new ATOM 0 HB3 ARG A 67 -11.468 -10.947 1.082 1.00 1.00 H new ATOM 0 HG2 ARG A 67 -13.616 -12.204 0.948 1.00 1.00 H new ATOM 0 HG3 ARG A 67 -13.376 -12.418 -0.775 1.00 1.00 H new ATOM 0 HD2 ARG A 67 -11.242 -13.641 -0.321 1.00 1.00 H new ATOM 0 HD3 ARG A 67 -11.497 -13.437 1.401 1.00 1.00 H new ATOM 0 HE ARG A 67 -13.688 -14.781 -0.073 1.00 1.00 H new ATOM 0 HH11 ARG A 67 -10.775 -15.155 1.828 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -11.204 -16.793 2.332 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -14.197 -16.827 0.572 1.00 1.00 H new ATOM 0 HH22 ARG A 67 -13.106 -17.723 1.634 1.00 1.00 H new ATOM 1140 N TYR A 68 -13.320 -8.788 2.054 1.00 1.00 N ATOM 1141 CA TYR A 68 -14.148 -8.418 3.201 1.00 1.00 C ATOM 1142 C TYR A 68 -15.161 -7.341 2.780 1.00 1.00 C ATOM 1143 O TYR A 68 -16.347 -7.415 3.109 1.00 1.00 O ATOM 1144 CB TYR A 68 -13.265 -7.900 4.343 1.00 1.00 C ATOM 1145 CG TYR A 68 -14.065 -7.413 5.520 1.00 1.00 C ATOM 1146 CD1 TYR A 68 -14.561 -8.307 6.459 1.00 1.00 C ATOM 1147 CD2 TYR A 68 -14.324 -6.059 5.696 1.00 1.00 C ATOM 1148 CE1 TYR A 68 -15.334 -7.870 7.514 1.00 1.00 C ATOM 1149 CE2 TYR A 68 -15.087 -5.616 6.754 1.00 1.00 C ATOM 1150 CZ TYR A 68 -15.574 -6.521 7.667 1.00 1.00 C ATOM 1151 OH TYR A 68 -16.353 -6.079 8.705 1.00 1.00 O ATOM 0 H TYR A 68 -12.359 -8.449 2.107 1.00 1.00 H new ATOM 0 HA TYR A 68 -14.689 -9.297 3.552 1.00 1.00 H new ATOM 0 HB2 TYR A 68 -12.595 -8.696 4.668 1.00 1.00 H new ATOM 0 HB3 TYR A 68 -12.639 -7.088 3.973 1.00 1.00 H new ATOM 0 HD1 TYR A 68 -14.338 -9.359 6.362 1.00 1.00 H new ATOM 0 HD2 TYR A 68 -13.922 -5.344 4.994 1.00 1.00 H new ATOM 0 HE1 TYR A 68 -15.748 -8.579 8.215 1.00 1.00 H new ATOM 0 HE2 TYR A 68 -15.301 -4.563 6.866 1.00 1.00 H new ATOM 0 HH TYR A 68 -17.053 -5.486 8.359 1.00 1.00 H new ATOM 1161 N LEU A 69 -14.666 -6.346 2.044 1.00 1.00 N ATOM 1162 CA LEU A 69 -15.488 -5.251 1.514 1.00 1.00 C ATOM 1163 C LEU A 69 -16.573 -5.842 0.600 1.00 1.00 C ATOM 1164 O LEU A 69 -17.736 -5.447 0.638 1.00 1.00 O ATOM 1165 CB LEU A 69 -14.548 -4.279 0.759 1.00 1.00 C ATOM 1166 CG LEU A 69 -15.139 -2.999 0.135 1.00 1.00 C ATOM 1167 CD1 LEU A 69 -15.832 -3.284 -1.189 1.00 1.00 C ATOM 1168 CD2 LEU A 69 -16.079 -2.292 1.095 1.00 1.00 C ATOM 0 H LEU A 69 -13.679 -6.274 1.796 1.00 1.00 H new ATOM 0 HA LEU A 69 -15.994 -4.699 2.306 1.00 1.00 H new ATOM 0 HB2 LEU A 69 -13.764 -3.975 1.452 1.00 1.00 H new ATOM 0 HB3 LEU A 69 -14.066 -4.842 -0.040 1.00 1.00 H new ATOM 0 HG LEU A 69 -14.302 -2.331 -0.067 1.00 1.00 H new ATOM 0 HD11 LEU A 69 -16.235 -2.356 -1.596 1.00 1.00 H new ATOM 0 HD12 LEU A 69 -15.114 -3.707 -1.892 1.00 1.00 H new ATOM 0 HD13 LEU A 69 -16.644 -3.993 -1.029 1.00 1.00 H new ATOM 0 HD21 LEU A 69 -16.476 -1.395 0.621 1.00 1.00 H new ATOM 0 HD22 LEU A 69 -16.901 -2.958 1.356 1.00 1.00 H new ATOM 0 HD23 LEU A 69 -15.536 -2.015 1.998 1.00 1.00 H new ATOM 1180 N GLN A 70 -16.167 -6.832 -0.186 1.00 1.00 N ATOM 1181 CA GLN A 70 -17.060 -7.550 -1.101 1.00 1.00 C ATOM 1182 C GLN A 70 -18.188 -8.244 -0.345 1.00 1.00 C ATOM 1183 O GLN A 70 -19.276 -8.455 -0.879 1.00 1.00 O ATOM 1184 CB GLN A 70 -16.234 -8.593 -1.856 1.00 1.00 C ATOM 1185 CG GLN A 70 -17.011 -9.433 -2.854 1.00 1.00 C ATOM 1186 CD GLN A 70 -16.107 -10.373 -3.631 1.00 1.00 C ATOM 1187 OE1 GLN A 70 -15.027 -10.811 -3.010 1.00 1.00 O flip ATOM 1188 NE2 GLN A 70 -16.370 -10.703 -4.777 1.00 1.00 N flip ATOM 0 H GLN A 70 -15.203 -7.165 -0.210 1.00 1.00 H new ATOM 0 HA GLN A 70 -17.511 -6.837 -1.791 1.00 1.00 H new ATOM 0 HB2 GLN A 70 -15.429 -8.083 -2.384 1.00 1.00 H new ATOM 0 HB3 GLN A 70 -15.768 -9.259 -1.130 1.00 1.00 H new ATOM 0 HG2 GLN A 70 -17.770 -10.012 -2.328 1.00 1.00 H new ATOM 0 HG3 GLN A 70 -17.536 -8.777 -3.549 1.00 1.00 H new ATOM 0 HE21 GLN A 70 -17.212 -10.348 -5.230 1.00 1.00 H new ATOM 0 HE22 GLN A 70 -15.748 -11.334 -5.282 1.00 1.00 H new ATOM 1197 N ARG A 71 -17.918 -8.588 0.902 1.00 1.00 N ATOM 1198 CA ARG A 71 -18.898 -9.267 1.730 1.00 1.00 C ATOM 1199 C ARG A 71 -19.997 -8.337 2.260 1.00 1.00 C ATOM 1200 O ARG A 71 -21.180 -8.590 2.044 1.00 1.00 O ATOM 1201 CB ARG A 71 -18.240 -9.927 2.949 1.00 1.00 C ATOM 1202 CG ARG A 71 -19.287 -10.389 3.957 1.00 1.00 C ATOM 1203 CD ARG A 71 -18.722 -10.772 5.320 1.00 1.00 C ATOM 1204 NE ARG A 71 -19.807 -10.830 6.316 1.00 1.00 N ATOM 1205 CZ ARG A 71 -19.733 -10.376 7.540 1.00 1.00 C ATOM 1206 NH1 ARG A 71 -18.592 -10.096 8.077 1.00 1.00 N ATOM 1207 NH2 ARG A 71 -20.816 -10.261 8.247 1.00 1.00 N ATOM 0 H ARG A 71 -17.027 -8.408 1.364 1.00 1.00 H new ATOM 0 HA ARG A 71 -19.346 -10.011 1.072 1.00 1.00 H new ATOM 0 HB2 ARG A 71 -17.641 -10.779 2.626 1.00 1.00 H new ATOM 0 HB3 ARG A 71 -17.559 -9.221 3.425 1.00 1.00 H new ATOM 0 HG2 ARG A 71 -20.020 -9.594 4.091 1.00 1.00 H new ATOM 0 HG3 ARG A 71 -19.819 -11.246 3.544 1.00 1.00 H new ATOM 0 HD2 ARG A 71 -18.222 -11.739 5.257 1.00 1.00 H new ATOM 0 HD3 ARG A 71 -17.971 -10.045 5.629 1.00 1.00 H new ATOM 0 HE ARG A 71 -20.686 -11.259 6.027 1.00 1.00 H new ATOM 0 HH11 ARG A 71 -17.732 -10.228 7.545 1.00 1.00 H new ATOM 0 HH12 ARG A 71 -18.551 -9.743 9.033 1.00 1.00 H new ATOM 0 HH21 ARG A 71 -21.717 -10.524 7.847 1.00 1.00 H new ATOM 0 HH22 ARG A 71 -20.766 -9.908 9.203 1.00 1.00 H new ATOM 1221 N GLU A 72 -19.616 -7.240 2.916 1.00 1.00 N ATOM 1222 CA GLU A 72 -20.625 -6.379 3.566 1.00 1.00 C ATOM 1223 C GLU A 72 -21.467 -5.556 2.583 1.00 1.00 C ATOM 1224 O GLU A 72 -22.412 -4.870 2.978 1.00 1.00 O ATOM 1225 CB GLU A 72 -20.007 -5.517 4.666 1.00 1.00 C ATOM 1226 CG GLU A 72 -19.404 -6.356 5.786 1.00 1.00 C ATOM 1227 CD GLU A 72 -19.251 -5.592 7.083 1.00 1.00 C ATOM 1228 OE1 GLU A 72 -18.249 -4.865 7.229 1.00 1.00 O ATOM 1229 OE2 GLU A 72 -20.123 -5.741 7.965 1.00 1.00 O ATOM 0 H GLU A 72 -18.650 -6.927 3.015 1.00 1.00 H new ATOM 0 HA GLU A 72 -21.332 -7.059 4.040 1.00 1.00 H new ATOM 0 HB2 GLU A 72 -19.234 -4.881 4.235 1.00 1.00 H new ATOM 0 HB3 GLU A 72 -20.770 -4.857 5.079 1.00 1.00 H new ATOM 0 HG2 GLU A 72 -20.034 -7.229 5.958 1.00 1.00 H new ATOM 0 HG3 GLU A 72 -18.428 -6.724 5.471 1.00 1.00 H new ATOM 1236 N ASP A 73 -21.114 -5.647 1.316 1.00 1.00 N ATOM 1237 CA ASP A 73 -21.841 -5.015 0.230 1.00 1.00 C ATOM 1238 C ASP A 73 -21.157 -5.413 -1.075 1.00 1.00 C ATOM 1239 O ASP A 73 -20.130 -4.850 -1.458 1.00 1.00 O ATOM 1240 CB ASP A 73 -21.943 -3.489 0.367 1.00 1.00 C ATOM 1241 CG ASP A 73 -22.772 -2.880 -0.747 1.00 1.00 C ATOM 1242 OD1 ASP A 73 -23.879 -3.390 -1.013 1.00 1.00 O ATOM 1243 OD2 ASP A 73 -22.312 -1.895 -1.366 1.00 1.00 O ATOM 0 H ASP A 73 -20.297 -6.173 1.005 1.00 1.00 H new ATOM 0 HA ASP A 73 -22.874 -5.363 0.251 1.00 1.00 H new ATOM 0 HB2 ASP A 73 -22.388 -3.239 1.330 1.00 1.00 H new ATOM 0 HB3 ASP A 73 -20.943 -3.055 0.356 1.00 1.00 H new ATOM 1248 N PRO A 74 -21.700 -6.425 -1.766 1.00 1.00 N ATOM 1249 CA PRO A 74 -21.119 -6.918 -3.019 1.00 1.00 C ATOM 1250 C PRO A 74 -21.155 -5.869 -4.127 1.00 1.00 C ATOM 1251 O PRO A 74 -20.353 -5.902 -5.064 1.00 1.00 O ATOM 1252 CB PRO A 74 -21.997 -8.116 -3.379 1.00 1.00 C ATOM 1253 CG PRO A 74 -23.283 -7.889 -2.659 1.00 1.00 C ATOM 1254 CD PRO A 74 -22.932 -7.149 -1.398 1.00 1.00 C ATOM 0 HA PRO A 74 -20.065 -7.172 -2.905 1.00 1.00 H new ATOM 0 HB2 PRO A 74 -22.154 -8.179 -4.456 1.00 1.00 H new ATOM 0 HB3 PRO A 74 -21.532 -9.052 -3.069 1.00 1.00 H new ATOM 0 HG2 PRO A 74 -23.975 -7.310 -3.271 1.00 1.00 H new ATOM 0 HG3 PRO A 74 -23.774 -8.835 -2.431 1.00 1.00 H new ATOM 0 HD2 PRO A 74 -23.726 -6.466 -1.097 1.00 1.00 H new ATOM 0 HD3 PRO A 74 -22.765 -7.831 -0.564 1.00 1.00 H new ATOM 1262 N GLU A 75 -22.086 -4.936 -4.005 1.00 1.00 N ATOM 1263 CA GLU A 75 -22.234 -3.855 -4.968 1.00 1.00 C ATOM 1264 C GLU A 75 -21.026 -2.931 -4.872 1.00 1.00 C ATOM 1265 O GLU A 75 -20.479 -2.449 -5.866 1.00 1.00 O ATOM 1266 CB GLU A 75 -23.512 -3.085 -4.652 1.00 1.00 C ATOM 1267 CG GLU A 75 -23.934 -2.126 -5.744 1.00 1.00 C ATOM 1268 CD GLU A 75 -24.419 -2.857 -6.982 1.00 1.00 C ATOM 1269 OE1 GLU A 75 -23.578 -3.188 -7.852 1.00 1.00 O ATOM 1270 OE2 GLU A 75 -25.633 -3.134 -7.078 1.00 1.00 O ATOM 0 H GLU A 75 -22.758 -4.906 -3.239 1.00 1.00 H new ATOM 0 HA GLU A 75 -22.295 -4.255 -5.980 1.00 1.00 H new ATOM 0 HB2 GLU A 75 -24.319 -3.796 -4.474 1.00 1.00 H new ATOM 0 HB3 GLU A 75 -23.369 -2.527 -3.727 1.00 1.00 H new ATOM 0 HG2 GLU A 75 -24.727 -1.477 -5.371 1.00 1.00 H new ATOM 0 HG3 GLU A 75 -23.094 -1.483 -6.007 1.00 1.00 H new ATOM 1277 N ARG A 76 -20.607 -2.743 -3.641 1.00 1.00 N ATOM 1278 CA ARG A 76 -19.462 -1.920 -3.290 1.00 1.00 C ATOM 1279 C ARG A 76 -18.183 -2.456 -3.926 1.00 1.00 C ATOM 1280 O ARG A 76 -17.349 -1.693 -4.416 1.00 1.00 O ATOM 1281 CB ARG A 76 -19.307 -1.972 -1.778 1.00 1.00 C ATOM 1282 CG ARG A 76 -18.593 -0.792 -1.163 1.00 1.00 C ATOM 1283 CD ARG A 76 -19.421 0.477 -1.282 1.00 1.00 C ATOM 1284 NE ARG A 76 -20.801 0.299 -0.809 1.00 1.00 N ATOM 1285 CZ ARG A 76 -21.452 1.157 -0.070 1.00 1.00 C ATOM 1286 NH1 ARG A 76 -20.840 2.155 0.491 1.00 1.00 N ATOM 1287 NH2 ARG A 76 -22.713 0.971 0.155 1.00 1.00 N ATOM 0 H ARG A 76 -21.062 -3.167 -2.833 1.00 1.00 H new ATOM 0 HA ARG A 76 -19.625 -0.904 -3.649 1.00 1.00 H new ATOM 0 HB2 ARG A 76 -20.298 -2.050 -1.330 1.00 1.00 H new ATOM 0 HB3 ARG A 76 -18.765 -2.881 -1.516 1.00 1.00 H new ATOM 0 HG2 ARG A 76 -18.386 -0.997 -0.113 1.00 1.00 H new ATOM 0 HG3 ARG A 76 -17.631 -0.649 -1.656 1.00 1.00 H new ATOM 0 HD2 ARG A 76 -18.944 1.272 -0.709 1.00 1.00 H new ATOM 0 HD3 ARG A 76 -19.437 0.800 -2.323 1.00 1.00 H new ATOM 0 HE ARG A 76 -21.286 -0.557 -1.077 1.00 1.00 H new ATOM 0 HH11 ARG A 76 -19.836 2.278 0.358 1.00 1.00 H new ATOM 0 HH12 ARG A 76 -21.363 2.816 1.065 1.00 1.00 H new ATOM 0 HH21 ARG A 76 -23.188 0.161 -0.243 1.00 1.00 H new ATOM 0 HH22 ARG A 76 -23.232 1.634 0.731 1.00 1.00 H new ATOM 1301 N TYR A 77 -18.057 -3.781 -3.920 1.00 1.00 N ATOM 1302 CA TYR A 77 -16.883 -4.460 -4.474 1.00 1.00 C ATOM 1303 C TYR A 77 -16.668 -4.023 -5.897 1.00 1.00 C ATOM 1304 O TYR A 77 -15.609 -3.514 -6.282 1.00 1.00 O ATOM 1305 CB TYR A 77 -17.106 -5.977 -4.515 1.00 1.00 C ATOM 1306 CG TYR A 77 -15.912 -6.737 -5.044 1.00 1.00 C ATOM 1307 CD1 TYR A 77 -14.736 -6.776 -4.317 1.00 1.00 C ATOM 1308 CD2 TYR A 77 -15.957 -7.419 -6.262 1.00 1.00 C ATOM 1309 CE1 TYR A 77 -13.633 -7.461 -4.780 1.00 1.00 C ATOM 1310 CE2 TYR A 77 -14.853 -8.110 -6.729 1.00 1.00 C ATOM 1311 CZ TYR A 77 -13.697 -8.130 -5.979 1.00 1.00 C ATOM 1312 OH TYR A 77 -12.598 -8.823 -6.432 1.00 1.00 O ATOM 0 H TYR A 77 -18.759 -4.412 -3.534 1.00 1.00 H new ATOM 0 HA TYR A 77 -16.030 -4.211 -3.843 1.00 1.00 H new ATOM 0 HB2 TYR A 77 -17.339 -6.331 -3.511 1.00 1.00 H new ATOM 0 HB3 TYR A 77 -17.973 -6.194 -5.139 1.00 1.00 H new ATOM 0 HD1 TYR A 77 -14.681 -6.261 -3.370 1.00 1.00 H new ATOM 0 HD2 TYR A 77 -16.865 -7.407 -6.847 1.00 1.00 H new ATOM 0 HE1 TYR A 77 -12.721 -7.472 -4.202 1.00 1.00 H new ATOM 0 HE2 TYR A 77 -14.897 -8.630 -7.675 1.00 1.00 H new ATOM 0 HH TYR A 77 -12.807 -9.241 -7.293 1.00 1.00 H new ATOM 1322 N ARG A 78 -17.743 -4.212 -6.640 1.00 1.00 N ATOM 1323 CA ARG A 78 -17.807 -3.932 -8.036 1.00 1.00 C ATOM 1324 C ARG A 78 -17.385 -2.526 -8.366 1.00 1.00 C ATOM 1325 O ARG A 78 -16.468 -2.306 -9.144 1.00 1.00 O ATOM 1326 CB ARG A 78 -19.249 -4.087 -8.487 1.00 1.00 C ATOM 1327 CG ARG A 78 -19.881 -5.431 -8.189 1.00 1.00 C ATOM 1328 CD ARG A 78 -21.374 -5.380 -8.494 1.00 1.00 C ATOM 1329 NE ARG A 78 -22.055 -6.661 -8.281 1.00 1.00 N ATOM 1330 CZ ARG A 78 -23.348 -6.821 -8.383 1.00 1.00 C ATOM 1331 NH1 ARG A 78 -24.141 -5.795 -8.429 1.00 1.00 N ATOM 1332 NH2 ARG A 78 -23.850 -8.017 -8.370 1.00 1.00 N ATOM 0 H ARG A 78 -18.617 -4.577 -6.262 1.00 1.00 H new ATOM 0 HA ARG A 78 -17.130 -4.622 -8.539 1.00 1.00 H new ATOM 0 HB2 ARG A 78 -19.847 -3.310 -8.011 1.00 1.00 H new ATOM 0 HB3 ARG A 78 -19.297 -3.912 -9.562 1.00 1.00 H new ATOM 0 HG2 ARG A 78 -19.405 -6.208 -8.788 1.00 1.00 H new ATOM 0 HG3 ARG A 78 -19.723 -5.693 -7.143 1.00 1.00 H new ATOM 0 HD2 ARG A 78 -21.840 -4.620 -7.866 1.00 1.00 H new ATOM 0 HD3 ARG A 78 -21.516 -5.069 -9.529 1.00 1.00 H new ATOM 0 HE ARG A 78 -21.487 -7.473 -8.040 1.00 1.00 H new ATOM 0 HH11 ARG A 78 -23.757 -4.851 -8.386 1.00 1.00 H new ATOM 0 HH12 ARG A 78 -25.149 -5.932 -8.509 1.00 1.00 H new ATOM 0 HH21 ARG A 78 -23.236 -8.827 -8.280 1.00 1.00 H new ATOM 0 HH22 ARG A 78 -24.858 -8.148 -8.449 1.00 1.00 H new ATOM 1346 N ALA A 79 -18.040 -1.570 -7.750 1.00 1.00 N ATOM 1347 CA ALA A 79 -17.761 -0.199 -8.083 1.00 1.00 C ATOM 1348 C ALA A 79 -16.432 0.292 -7.528 1.00 1.00 C ATOM 1349 O ALA A 79 -15.812 1.161 -8.120 1.00 1.00 O ATOM 1350 CB ALA A 79 -18.908 0.704 -7.693 1.00 1.00 C ATOM 0 H ALA A 79 -18.752 -1.713 -7.034 1.00 1.00 H new ATOM 0 HA ALA A 79 -17.660 -0.157 -9.167 1.00 1.00 H new ATOM 0 HB1 ALA A 79 -18.667 1.734 -7.958 1.00 1.00 H new ATOM 0 HB2 ALA A 79 -19.810 0.395 -8.221 1.00 1.00 H new ATOM 0 HB3 ALA A 79 -19.076 0.635 -6.618 1.00 1.00 H new ATOM 1356 N LEU A 80 -15.964 -0.255 -6.419 1.00 1.00 N ATOM 1357 CA LEU A 80 -14.688 0.190 -5.893 1.00 1.00 C ATOM 1358 C LEU A 80 -13.554 -0.341 -6.766 1.00 1.00 C ATOM 1359 O LEU A 80 -12.508 0.290 -6.896 1.00 1.00 O ATOM 1360 CB LEU A 80 -14.503 -0.240 -4.440 1.00 1.00 C ATOM 1361 CG LEU A 80 -13.203 0.226 -3.765 1.00 1.00 C ATOM 1362 CD1 LEU A 80 -13.145 1.747 -3.672 1.00 1.00 C ATOM 1363 CD2 LEU A 80 -13.081 -0.396 -2.382 1.00 1.00 C ATOM 0 H LEU A 80 -16.431 -0.985 -5.881 1.00 1.00 H new ATOM 0 HA LEU A 80 -14.670 1.280 -5.913 1.00 1.00 H new ATOM 0 HB2 LEU A 80 -15.346 0.135 -3.860 1.00 1.00 H new ATOM 0 HB3 LEU A 80 -14.544 -1.328 -4.395 1.00 1.00 H new ATOM 0 HG LEU A 80 -12.364 -0.103 -4.378 1.00 1.00 H new ATOM 0 HD11 LEU A 80 -12.214 2.047 -3.190 1.00 1.00 H new ATOM 0 HD12 LEU A 80 -13.189 2.175 -4.674 1.00 1.00 H new ATOM 0 HD13 LEU A 80 -13.990 2.108 -3.086 1.00 1.00 H new ATOM 0 HD21 LEU A 80 -12.157 -0.060 -1.912 1.00 1.00 H new ATOM 0 HD22 LEU A 80 -13.931 -0.092 -1.770 1.00 1.00 H new ATOM 0 HD23 LEU A 80 -13.068 -1.482 -2.471 1.00 1.00 H new ATOM 1375 N ILE A 81 -13.773 -1.467 -7.434 1.00 1.00 N ATOM 1376 CA ILE A 81 -12.716 -2.005 -8.274 1.00 1.00 C ATOM 1377 C ILE A 81 -12.688 -1.236 -9.588 1.00 1.00 C ATOM 1378 O ILE A 81 -11.647 -1.104 -10.235 1.00 1.00 O ATOM 1379 CB ILE A 81 -12.774 -3.549 -8.447 1.00 1.00 C ATOM 1380 CG1 ILE A 81 -14.052 -4.073 -9.118 1.00 1.00 C ATOM 1381 CG2 ILE A 81 -12.640 -4.182 -7.073 1.00 1.00 C ATOM 1382 CD1 ILE A 81 -14.054 -3.979 -10.625 1.00 1.00 C ATOM 0 H ILE A 81 -14.638 -2.006 -7.413 1.00 1.00 H new ATOM 0 HA ILE A 81 -11.763 -1.854 -7.768 1.00 1.00 H new ATOM 0 HB ILE A 81 -11.957 -3.821 -9.116 1.00 1.00 H new ATOM 0 HG12 ILE A 81 -14.196 -5.115 -8.832 1.00 1.00 H new ATOM 0 HG13 ILE A 81 -14.905 -3.515 -8.731 1.00 1.00 H new ATOM 0 HG21 ILE A 81 -12.678 -5.267 -7.167 1.00 1.00 H new ATOM 0 HG22 ILE A 81 -11.689 -3.889 -6.629 1.00 1.00 H new ATOM 0 HG23 ILE A 81 -13.457 -3.844 -6.436 1.00 1.00 H new ATOM 0 HD11 ILE A 81 -14.994 -4.371 -11.013 1.00 1.00 H new ATOM 0 HD12 ILE A 81 -13.944 -2.937 -10.925 1.00 1.00 H new ATOM 0 HD13 ILE A 81 -13.225 -4.561 -11.027 1.00 1.00 H new ATOM 1394 N GLU A 82 -13.850 -0.703 -9.947 1.00 1.00 N ATOM 1395 CA GLU A 82 -13.983 0.148 -11.116 1.00 1.00 C ATOM 1396 C GLU A 82 -13.449 1.561 -10.802 1.00 1.00 C ATOM 1397 O GLU A 82 -12.839 2.200 -11.650 1.00 1.00 O ATOM 1398 CB GLU A 82 -15.452 0.240 -11.541 1.00 1.00 C ATOM 1399 CG GLU A 82 -16.048 -1.070 -12.042 1.00 1.00 C ATOM 1400 CD GLU A 82 -15.451 -1.534 -13.358 1.00 1.00 C ATOM 1401 OE1 GLU A 82 -14.372 -2.176 -13.331 1.00 1.00 O ATOM 1402 OE2 GLU A 82 -16.065 -1.269 -14.414 1.00 1.00 O ATOM 0 H GLU A 82 -14.721 -0.850 -9.437 1.00 1.00 H new ATOM 0 HA GLU A 82 -13.403 -0.286 -11.930 1.00 1.00 H new ATOM 0 HB2 GLU A 82 -16.041 0.592 -10.694 1.00 1.00 H new ATOM 0 HB3 GLU A 82 -15.544 0.990 -12.327 1.00 1.00 H new ATOM 0 HG2 GLU A 82 -15.895 -1.843 -11.289 1.00 1.00 H new ATOM 0 HG3 GLU A 82 -17.125 -0.950 -12.161 1.00 1.00 H new ATOM 1409 N LYS A 83 -13.666 2.040 -9.565 1.00 1.00 N ATOM 1410 CA LYS A 83 -13.198 3.385 -9.167 1.00 1.00 C ATOM 1411 C LYS A 83 -11.672 3.444 -9.091 1.00 1.00 C ATOM 1412 O LYS A 83 -11.057 4.417 -9.514 1.00 1.00 O ATOM 1413 CB LYS A 83 -13.784 3.822 -7.813 1.00 1.00 C ATOM 1414 CG LYS A 83 -15.298 3.988 -7.812 1.00 1.00 C ATOM 1415 CD LYS A 83 -15.829 4.319 -6.422 1.00 1.00 C ATOM 1416 CE LYS A 83 -17.349 4.212 -6.349 1.00 1.00 C ATOM 1417 NZ LYS A 83 -18.035 5.132 -7.301 1.00 1.00 N ATOM 0 H LYS A 83 -14.155 1.527 -8.831 1.00 1.00 H new ATOM 0 HA LYS A 83 -13.549 4.070 -9.938 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -13.510 3.086 -7.057 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -13.326 4.767 -7.519 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -15.577 4.780 -8.506 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -15.765 3.071 -8.171 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -15.383 3.642 -5.693 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -15.523 5.329 -6.148 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -17.648 3.186 -6.562 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -17.677 4.435 -5.334 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -19.065 5.044 -7.187 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -17.747 6.112 -7.105 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -17.772 4.882 -8.276 1.00 1.00 H new ATOM 1431 N LEU A 84 -11.062 2.406 -8.545 1.00 1.00 N ATOM 1432 CA LEU A 84 -9.608 2.375 -8.437 1.00 1.00 C ATOM 1433 C LEU A 84 -8.961 1.931 -9.753 1.00 1.00 C ATOM 1434 O LEU A 84 -7.915 2.439 -10.143 1.00 1.00 O ATOM 1435 CB LEU A 84 -9.173 1.436 -7.304 1.00 1.00 C ATOM 1436 CG LEU A 84 -9.663 1.818 -5.902 1.00 1.00 C ATOM 1437 CD1 LEU A 84 -9.196 0.795 -4.876 1.00 1.00 C ATOM 1438 CD2 LEU A 84 -9.178 3.208 -5.517 1.00 1.00 C ATOM 0 H LEU A 84 -11.539 1.584 -8.174 1.00 1.00 H new ATOM 0 HA LEU A 84 -9.273 3.388 -8.213 1.00 1.00 H new ATOM 0 HB2 LEU A 84 -9.528 0.431 -7.532 1.00 1.00 H new ATOM 0 HB3 LEU A 84 -8.084 1.393 -7.290 1.00 1.00 H new ATOM 0 HG LEU A 84 -10.753 1.827 -5.917 1.00 1.00 H new ATOM 0 HD11 LEU A 84 -9.553 1.082 -3.887 1.00 1.00 H new ATOM 0 HD12 LEU A 84 -9.593 -0.187 -5.134 1.00 1.00 H new ATOM 0 HD13 LEU A 84 -8.107 0.756 -4.871 1.00 1.00 H new ATOM 0 HD21 LEU A 84 -9.539 3.456 -4.519 1.00 1.00 H new ATOM 0 HD22 LEU A 84 -8.088 3.228 -5.524 1.00 1.00 H new ATOM 0 HD23 LEU A 84 -9.559 3.937 -6.232 1.00 1.00 H new ATOM 1450 N GLY A 85 -9.610 1.012 -10.452 1.00 1.00 N ATOM 1451 CA GLY A 85 -9.042 0.488 -11.685 1.00 1.00 C ATOM 1452 C GLY A 85 -8.237 -0.749 -11.379 1.00 1.00 C ATOM 1453 O GLY A 85 -7.062 -0.854 -11.686 1.00 1.00 O ATOM 0 H GLY A 85 -10.515 0.619 -10.193 1.00 1.00 H new ATOM 0 HA2 GLY A 85 -9.837 0.252 -12.393 1.00 1.00 H new ATOM 0 HA3 GLY A 85 -8.409 1.240 -12.155 1.00 1.00 H new ATOM 1457 N ILE A 86 -8.906 -1.683 -10.762 1.00 1.00 N ATOM 1458 CA ILE A 86 -8.300 -2.923 -10.326 1.00 1.00 C ATOM 1459 C ILE A 86 -8.345 -4.003 -11.441 1.00 1.00 C ATOM 1460 O ILE A 86 -7.658 -5.024 -11.388 1.00 1.00 O ATOM 1461 CB ILE A 86 -9.025 -3.333 -9.026 1.00 1.00 C ATOM 1462 CG1 ILE A 86 -8.358 -2.636 -7.815 1.00 1.00 C ATOM 1463 CG2 ILE A 86 -9.118 -4.840 -8.848 1.00 1.00 C ATOM 1464 CD1 ILE A 86 -9.010 -2.931 -6.475 1.00 1.00 C ATOM 0 H ILE A 86 -9.899 -1.610 -10.542 1.00 1.00 H new ATOM 0 HA ILE A 86 -7.236 -2.802 -10.121 1.00 1.00 H new ATOM 0 HB ILE A 86 -10.058 -2.994 -9.096 1.00 1.00 H new ATOM 0 HG12 ILE A 86 -7.312 -2.939 -7.769 1.00 1.00 H new ATOM 0 HG13 ILE A 86 -8.371 -1.559 -7.981 1.00 1.00 H new ATOM 0 HG21 ILE A 86 -9.638 -5.065 -7.917 1.00 1.00 H new ATOM 0 HG22 ILE A 86 -9.668 -5.272 -9.684 1.00 1.00 H new ATOM 0 HG23 ILE A 86 -8.115 -5.265 -8.816 1.00 1.00 H new ATOM 0 HD11 ILE A 86 -8.476 -2.401 -5.686 1.00 1.00 H new ATOM 0 HD12 ILE A 86 -10.049 -2.601 -6.495 1.00 1.00 H new ATOM 0 HD13 ILE A 86 -8.973 -4.003 -6.281 1.00 1.00 H new ATOM 1476 N ARG A 87 -9.162 -3.742 -12.473 1.00 1.00 N ATOM 1477 CA ARG A 87 -9.243 -4.614 -13.630 1.00 1.00 C ATOM 1478 C ARG A 87 -8.033 -4.398 -14.419 1.00 1.00 C ATOM 1479 O ARG A 87 -7.781 -5.120 -15.407 1.00 1.00 O ATOM 1480 CB ARG A 87 -10.486 -4.330 -14.457 1.00 1.00 C ATOM 1481 CG ARG A 87 -11.766 -4.633 -13.702 1.00 1.00 C ATOM 1482 CD ARG A 87 -11.882 -6.105 -13.319 1.00 1.00 C ATOM 1483 NE ARG A 87 -13.191 -6.414 -12.728 1.00 1.00 N ATOM 1484 CZ ARG A 87 -13.447 -7.469 -11.998 1.00 1.00 C ATOM 1485 NH1 ARG A 87 -12.513 -8.321 -11.718 1.00 1.00 N ATOM 1486 NH2 ARG A 87 -14.647 -7.662 -11.548 1.00 1.00 N ATOM 0 H ARG A 87 -9.774 -2.927 -12.519 1.00 1.00 H new ATOM 0 HA ARG A 87 -9.317 -5.654 -13.311 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -10.486 -3.283 -14.760 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -10.456 -4.926 -15.369 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -11.806 -4.022 -12.800 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -12.622 -4.352 -14.316 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -11.727 -6.724 -14.203 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -11.094 -6.359 -12.610 1.00 1.00 H new ATOM 0 HE ARG A 87 -13.954 -5.760 -12.899 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -11.566 -8.173 -12.068 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -12.724 -9.140 -11.148 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -15.386 -6.993 -11.764 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -14.852 -8.483 -10.978 1.00 1.00 H new ATOM 1500 N GLY A 88 -7.319 -3.366 -14.158 1.00 1.00 N ATOM 1501 CA GLY A 88 -6.172 -3.369 -14.942 1.00 1.00 C ATOM 1502 C GLY A 88 -4.911 -3.261 -14.153 1.00 1.00 C ATOM 1503 O GLY A 88 -4.096 -4.145 -14.298 1.00 1.00 O ATOM 1504 OXT GLY A 88 -4.660 -2.153 -13.545 1.00 1.00 O ATOM 0 H GLY A 88 -7.482 -2.607 -13.497 1.00 1.00 H new ATOM 0 HA2 GLY A 88 -6.146 -4.287 -15.530 1.00 1.00 H new ATOM 0 HA3 GLY A 88 -6.222 -2.540 -15.648 1.00 1.00 H new