USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 26:sc= 0.0461 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.194 K(o=-0.19,f=-2.4!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0.0367 USER MOD Single : A 45 CYS SG : rot 7:sc= -0.928 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.059 X(o=-0.059,f=-0.059) USER MOD Single : A 58 GLN : amide:sc= -0.25 X(o=-0.25,f=-0.041) USER MOD Single : A 61 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 HIS : no HD1:sc= -0.522 X(o=-0.52,f=-0.22) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc=-0.00901 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -2.746 -6.854 0.947 1.00 0.00 N ATOM 272 CA THR A 20 -3.751 -5.883 0.533 1.00 0.00 C ATOM 273 C THR A 20 -3.598 -5.526 -0.941 1.00 0.00 C ATOM 274 O THR A 20 -2.699 -4.773 -1.317 1.00 0.00 O ATOM 275 CB THR A 20 -3.667 -4.594 1.373 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.854 -4.900 2.759 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.715 -3.587 0.925 1.00 0.00 C ATOM 0 HA THR A 20 -4.724 -6.349 0.692 1.00 0.00 H new ATOM 0 HB THR A 20 -2.680 -4.156 1.228 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.587 -5.828 2.928 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.636 -2.685 1.532 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.552 -3.334 -0.123 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.709 -4.019 1.044 1.00 0.00 H new ATOM 285 N VAL A 21 -4.480 -6.071 -1.772 1.00 0.00 N ATOM 286 CA VAL A 21 -4.444 -5.808 -3.206 1.00 0.00 C ATOM 287 C VAL A 21 -5.443 -4.724 -3.592 1.00 0.00 C ATOM 288 O VAL A 21 -6.643 -4.856 -3.351 1.00 0.00 O ATOM 289 CB VAL A 21 -4.746 -7.082 -4.018 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.944 -6.744 -5.487 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.632 -8.102 -3.842 1.00 0.00 C ATOM 0 H VAL A 21 -5.229 -6.698 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.435 -5.467 -3.440 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.671 -7.520 -3.643 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.156 -7.656 -6.045 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.779 -6.052 -5.592 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.038 -6.281 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.862 -8.996 -4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.691 -7.676 -4.189 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.544 -8.367 -2.788 1.00 0.00 H new ATOM 301 N VAL A 22 -4.940 -3.650 -4.192 1.00 0.00 N ATOM 302 CA VAL A 22 -5.789 -2.541 -4.613 1.00 0.00 C ATOM 303 C VAL A 22 -5.759 -2.371 -6.128 1.00 0.00 C ATOM 304 O VAL A 22 -4.739 -2.623 -6.771 1.00 0.00 O ATOM 305 CB VAL A 22 -5.356 -1.220 -3.950 1.00 0.00 C ATOM 306 CG1 VAL A 22 -5.825 -1.170 -2.504 1.00 0.00 C ATOM 307 CG2 VAL A 22 -3.847 -1.050 -4.037 1.00 0.00 C ATOM 0 H VAL A 22 -3.949 -3.524 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.804 -2.781 -4.297 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.822 -0.394 -4.487 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.510 -0.230 -2.052 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.912 -1.242 -2.471 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.389 -2.002 -1.951 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.559 -0.111 -3.564 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.357 -1.879 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.542 -1.037 -5.083 1.00 0.00 H new ATOM 317 N ILE A 23 -6.883 -1.942 -6.692 1.00 0.00 N ATOM 318 CA ILE A 23 -6.984 -1.737 -8.131 1.00 0.00 C ATOM 319 C ILE A 23 -7.072 -0.252 -8.470 1.00 0.00 C ATOM 320 O ILE A 23 -7.559 0.549 -7.672 1.00 0.00 O ATOM 321 CB ILE A 23 -8.211 -2.459 -8.718 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.270 -3.902 -8.213 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.169 -2.426 -10.238 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.054 -4.062 -6.929 1.00 0.00 C ATOM 0 H ILE A 23 -7.736 -1.730 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.080 -2.156 -8.573 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.111 -1.941 -8.388 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.718 -4.530 -8.983 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.254 -4.265 -8.057 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -9.043 -2.940 -10.637 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.170 -1.391 -10.580 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.264 -2.923 -10.588 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.054 -5.110 -6.631 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -8.594 -3.461 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.080 -3.730 -7.086 1.00 0.00 H new ATOM 336 N ALA A 24 -6.600 0.107 -9.659 1.00 0.00 N ATOM 337 CA ALA A 24 -6.629 1.494 -10.105 1.00 0.00 C ATOM 338 C ALA A 24 -7.816 1.750 -11.028 1.00 0.00 C ATOM 339 O ALA A 24 -7.929 1.143 -12.094 1.00 0.00 O ATOM 340 CB ALA A 24 -5.327 1.851 -10.806 1.00 0.00 C ATOM 0 H ALA A 24 -6.193 -0.544 -10.331 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.742 2.129 -9.226 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.363 2.890 -11.134 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.494 1.717 -10.116 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.190 1.202 -11.671 1.00 0.00 H new ATOM 346 N LEU A 25 -8.700 2.650 -10.612 1.00 0.00 N ATOM 347 CA LEU A 25 -9.880 2.985 -11.401 1.00 0.00 C ATOM 348 C LEU A 25 -9.484 3.632 -12.724 1.00 0.00 C ATOM 349 O LEU A 25 -10.134 3.422 -13.749 1.00 0.00 O ATOM 350 CB LEU A 25 -10.794 3.925 -10.614 1.00 0.00 C ATOM 351 CG LEU A 25 -11.258 3.422 -9.247 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.523 4.589 -8.309 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.503 2.558 -9.391 1.00 0.00 C ATOM 0 H LEU A 25 -8.622 3.161 -9.733 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.418 2.061 -11.616 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.273 4.872 -10.473 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.675 4.134 -11.220 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.463 2.812 -8.818 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.852 4.210 -7.341 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.608 5.167 -8.180 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.299 5.227 -8.732 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.819 2.209 -8.408 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.303 3.145 -9.842 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.280 1.701 -10.026 1.00 0.00 H new ATOM 365 N TYR A 26 -8.414 4.418 -12.695 1.00 0.00 N ATOM 366 CA TYR A 26 -7.931 5.096 -13.893 1.00 0.00 C ATOM 367 C TYR A 26 -6.427 4.902 -14.060 1.00 0.00 C ATOM 368 O TYR A 26 -5.735 4.492 -13.128 1.00 0.00 O ATOM 369 CB TYR A 26 -8.259 6.589 -13.826 1.00 0.00 C ATOM 370 CG TYR A 26 -9.606 6.886 -13.205 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.760 6.904 -13.979 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.723 7.149 -11.846 1.00 0.00 C ATOM 373 CE1 TYR A 26 -11.992 7.176 -13.416 1.00 0.00 C ATOM 374 CE2 TYR A 26 -10.952 7.420 -11.275 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.083 7.432 -12.064 1.00 0.00 C ATOM 376 OH TYR A 26 -13.308 7.703 -11.499 1.00 0.00 O ATOM 0 H TYR A 26 -7.864 4.602 -11.856 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.434 4.658 -14.755 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.484 7.097 -13.252 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.234 7.004 -14.834 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.693 6.702 -15.038 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.839 7.142 -11.226 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.879 7.188 -14.032 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.026 7.621 -10.217 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.198 7.860 -10.538 1.00 0.00 H new ATOM 386 N ASP A 27 -5.928 5.200 -15.254 1.00 0.00 N ATOM 387 CA ASP A 27 -4.506 5.060 -15.546 1.00 0.00 C ATOM 388 C ASP A 27 -3.746 6.327 -15.165 1.00 0.00 C ATOM 389 O ASP A 27 -3.725 7.300 -15.919 1.00 0.00 O ATOM 390 CB ASP A 27 -4.295 4.750 -17.028 1.00 0.00 C ATOM 391 CG ASP A 27 -2.853 4.933 -17.459 1.00 0.00 C ATOM 392 OD1 ASP A 27 -1.961 4.873 -16.586 1.00 0.00 O ATOM 393 OD2 ASP A 27 -2.616 5.134 -18.668 1.00 0.00 O ATOM 0 H ASP A 27 -6.487 5.540 -16.036 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.118 4.232 -14.952 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -4.604 3.724 -17.229 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.935 5.398 -17.626 1.00 0.00 H new ATOM 398 N TYR A 28 -3.126 6.308 -13.991 1.00 0.00 N ATOM 399 CA TYR A 28 -2.368 7.456 -13.508 1.00 0.00 C ATOM 400 C TYR A 28 -1.101 7.659 -14.334 1.00 0.00 C ATOM 401 O TYR A 28 -0.413 6.699 -14.679 1.00 0.00 O ATOM 402 CB TYR A 28 -2.005 7.271 -12.034 1.00 0.00 C ATOM 403 CG TYR A 28 -1.266 8.449 -11.439 1.00 0.00 C ATOM 404 CD1 TYR A 28 -1.888 9.683 -11.295 1.00 0.00 C ATOM 405 CD2 TYR A 28 0.053 8.327 -11.020 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.217 10.762 -10.753 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.731 9.401 -10.476 1.00 0.00 C ATOM 408 CZ TYR A 28 0.092 10.616 -10.345 1.00 0.00 C ATOM 409 OH TYR A 28 0.763 11.688 -9.803 1.00 0.00 O ATOM 0 H TYR A 28 -3.133 5.510 -13.356 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.994 8.342 -13.612 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -2.917 7.099 -11.463 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.390 6.377 -11.929 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -2.914 9.801 -11.612 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.557 7.377 -11.121 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.715 11.715 -10.649 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.756 9.290 -10.155 1.00 0.00 H new ATOM 0 HH TYR A 28 1.675 11.418 -9.566 1.00 0.00 H new ATOM 507 N GLU A 35 7.443 9.018 -8.278 1.00 0.00 N ATOM 508 CA GLU A 35 6.043 8.724 -8.561 1.00 0.00 C ATOM 509 C GLU A 35 5.918 7.540 -9.515 1.00 0.00 C ATOM 510 O GLU A 35 6.699 7.400 -10.456 1.00 0.00 O ATOM 511 CB GLU A 35 5.353 9.951 -9.160 1.00 0.00 C ATOM 512 CG GLU A 35 4.824 10.922 -8.118 1.00 0.00 C ATOM 513 CD GLU A 35 5.870 11.925 -7.672 1.00 0.00 C ATOM 514 OE1 GLU A 35 6.766 12.248 -8.480 1.00 0.00 O ATOM 515 OE2 GLU A 35 5.793 12.388 -6.514 1.00 0.00 O ATOM 0 HA GLU A 35 5.555 8.464 -7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.058 10.474 -9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.527 9.621 -9.790 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.965 11.455 -8.526 1.00 0.00 H new ATOM 0 HG3 GLU A 35 4.470 10.363 -7.252 1.00 0.00 H new ATOM 522 N LEU A 36 4.929 6.688 -9.264 1.00 0.00 N ATOM 523 CA LEU A 36 4.700 5.514 -10.099 1.00 0.00 C ATOM 524 C LEU A 36 3.482 5.712 -10.995 1.00 0.00 C ATOM 525 O LEU A 36 2.519 6.376 -10.612 1.00 0.00 O ATOM 526 CB LEU A 36 4.510 4.272 -9.226 1.00 0.00 C ATOM 527 CG LEU A 36 4.111 2.991 -9.960 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.346 2.216 -10.390 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.217 2.129 -9.080 1.00 0.00 C ATOM 0 H LEU A 36 4.273 6.789 -8.489 1.00 0.00 H new ATOM 0 HA LEU A 36 5.575 5.374 -10.734 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.439 4.085 -8.688 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.748 4.491 -8.478 1.00 0.00 H new ATOM 0 HG LEU A 36 3.551 3.266 -10.854 1.00 0.00 H new ATOM 0 HD11 LEU A 36 5.043 1.308 -10.911 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.948 2.833 -11.057 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.934 1.951 -9.511 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.943 1.222 -9.618 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.752 1.863 -8.168 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.315 2.685 -8.822 1.00 0.00 H new ATOM 541 N ALA A 37 3.530 5.130 -12.188 1.00 0.00 N ATOM 542 CA ALA A 37 2.429 5.239 -13.137 1.00 0.00 C ATOM 543 C ALA A 37 1.482 4.050 -13.017 1.00 0.00 C ATOM 544 O ALA A 37 1.778 2.956 -13.500 1.00 0.00 O ATOM 545 CB ALA A 37 2.964 5.350 -14.557 1.00 0.00 C ATOM 0 H ALA A 37 4.320 4.578 -12.521 1.00 0.00 H new ATOM 0 HA ALA A 37 1.867 6.143 -12.902 1.00 0.00 H new ATOM 0 HB1 ALA A 37 2.130 5.431 -15.255 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.594 6.236 -14.640 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.552 4.463 -14.795 1.00 0.00 H new ATOM 551 N LEU A 38 0.342 4.270 -12.371 1.00 0.00 N ATOM 552 CA LEU A 38 -0.649 3.215 -12.188 1.00 0.00 C ATOM 553 C LEU A 38 -1.342 2.884 -13.506 1.00 0.00 C ATOM 554 O LEU A 38 -1.577 3.764 -14.334 1.00 0.00 O ATOM 555 CB LEU A 38 -1.686 3.639 -11.146 1.00 0.00 C ATOM 556 CG LEU A 38 -1.159 3.865 -9.728 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.282 4.314 -8.806 1.00 0.00 C ATOM 558 CD2 LEU A 38 -0.503 2.599 -9.195 1.00 0.00 C ATOM 0 H LEU A 38 0.081 5.169 -11.965 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.133 2.322 -11.836 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.159 4.560 -11.487 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.464 2.877 -11.106 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.407 4.654 -9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.888 4.470 -7.802 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -2.707 5.246 -9.178 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.057 3.548 -8.777 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.134 2.778 -8.185 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.234 1.791 -9.176 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.329 2.321 -9.842 1.00 0.00 H new ATOM 570 N ARG A 39 -1.670 1.610 -13.692 1.00 0.00 N ATOM 571 CA ARG A 39 -2.337 1.162 -14.909 1.00 0.00 C ATOM 572 C ARG A 39 -3.827 0.944 -14.662 1.00 0.00 C ATOM 573 O ARG A 39 -4.232 0.519 -13.580 1.00 0.00 O ATOM 574 CB ARG A 39 -1.699 -0.131 -15.420 1.00 0.00 C ATOM 575 CG ARG A 39 -2.262 -0.603 -16.750 1.00 0.00 C ATOM 576 CD ARG A 39 -1.844 0.315 -17.889 1.00 0.00 C ATOM 577 NE ARG A 39 -0.574 -0.093 -18.483 1.00 0.00 N ATOM 578 CZ ARG A 39 -0.029 0.507 -19.535 1.00 0.00 C ATOM 579 NH1 ARG A 39 -0.639 1.537 -20.105 1.00 0.00 N ATOM 580 NH2 ARG A 39 1.130 0.078 -20.018 1.00 0.00 N ATOM 0 H ARG A 39 -1.485 0.869 -13.016 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.221 1.939 -15.665 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.624 0.020 -15.523 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.841 -0.915 -14.676 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.917 -1.617 -16.953 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -3.350 -0.642 -16.693 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -2.619 0.317 -18.656 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.759 1.337 -17.519 1.00 0.00 H new ATOM 0 HE ARG A 39 -0.078 -0.882 -18.067 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -1.529 1.871 -19.736 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -0.218 1.996 -20.913 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.603 -0.713 -19.581 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.548 0.539 -20.826 1.00 0.00 H new ATOM 594 N ARG A 40 -4.638 1.239 -15.673 1.00 0.00 N ATOM 595 CA ARG A 40 -6.083 1.077 -15.566 1.00 0.00 C ATOM 596 C ARG A 40 -6.460 -0.399 -15.485 1.00 0.00 C ATOM 597 O ARG A 40 -5.914 -1.230 -16.209 1.00 0.00 O ATOM 598 CB ARG A 40 -6.781 1.728 -16.762 1.00 0.00 C ATOM 599 CG ARG A 40 -8.298 1.691 -16.676 1.00 0.00 C ATOM 600 CD ARG A 40 -8.933 2.711 -17.608 1.00 0.00 C ATOM 601 NE ARG A 40 -9.184 2.158 -18.936 1.00 0.00 N ATOM 602 CZ ARG A 40 -9.646 2.874 -19.955 1.00 0.00 C ATOM 603 NH1 ARG A 40 -9.906 4.165 -19.799 1.00 0.00 N ATOM 604 NH2 ARG A 40 -9.849 2.299 -21.134 1.00 0.00 N ATOM 0 H ARG A 40 -4.319 1.591 -16.575 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.412 1.569 -14.651 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.455 2.765 -16.842 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.465 1.224 -17.675 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.654 0.693 -16.931 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.610 1.889 -15.651 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.872 3.060 -17.178 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.279 3.579 -17.695 1.00 0.00 H new ATOM 0 HE ARG A 40 -8.994 1.168 -19.090 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.751 4.611 -18.895 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -10.261 4.712 -20.583 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -9.650 1.306 -21.258 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -10.204 2.850 -21.916 1.00 0.00 H new ATOM 618 N ASN A 41 -7.397 -0.717 -14.598 1.00 0.00 N ATOM 619 CA ASN A 41 -7.847 -2.094 -14.422 1.00 0.00 C ATOM 620 C ASN A 41 -6.673 -3.011 -14.091 1.00 0.00 C ATOM 621 O ASN A 41 -6.479 -4.042 -14.734 1.00 0.00 O ATOM 622 CB ASN A 41 -8.554 -2.587 -15.686 1.00 0.00 C ATOM 623 CG ASN A 41 -10.043 -2.300 -15.665 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.618 -2.021 -14.613 1.00 0.00 O ATOM 625 ND2 ASN A 41 -10.674 -2.366 -16.832 1.00 0.00 N ATOM 0 H ASN A 41 -7.859 -0.041 -13.990 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.550 -2.117 -13.589 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -8.107 -2.110 -16.558 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.395 -3.660 -15.793 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.676 -2.182 -16.881 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.157 -2.601 -17.679 1.00 0.00 H new ATOM 632 N GLU A 42 -5.896 -2.627 -13.083 1.00 0.00 N ATOM 633 CA GLU A 42 -4.742 -3.416 -12.667 1.00 0.00 C ATOM 634 C GLU A 42 -4.588 -3.396 -11.149 1.00 0.00 C ATOM 635 O GLU A 42 -4.668 -2.341 -10.521 1.00 0.00 O ATOM 636 CB GLU A 42 -3.468 -2.883 -13.326 1.00 0.00 C ATOM 637 CG GLU A 42 -3.264 -3.380 -14.748 1.00 0.00 C ATOM 638 CD GLU A 42 -2.587 -4.736 -14.800 1.00 0.00 C ATOM 639 OE1 GLU A 42 -3.174 -5.713 -14.291 1.00 0.00 O ATOM 640 OE2 GLU A 42 -1.469 -4.818 -15.350 1.00 0.00 O ATOM 0 H GLU A 42 -6.044 -1.776 -12.540 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.904 -4.446 -12.985 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.501 -1.794 -13.332 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.608 -3.173 -12.722 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.230 -3.441 -15.250 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.663 -2.657 -15.299 1.00 0.00 H new ATOM 647 N GLU A 43 -4.368 -4.571 -10.567 1.00 0.00 N ATOM 648 CA GLU A 43 -4.204 -4.689 -9.123 1.00 0.00 C ATOM 649 C GLU A 43 -2.815 -4.226 -8.693 1.00 0.00 C ATOM 650 O GLU A 43 -1.888 -4.177 -9.501 1.00 0.00 O ATOM 651 CB GLU A 43 -4.433 -6.135 -8.677 1.00 0.00 C ATOM 652 CG GLU A 43 -5.901 -6.504 -8.539 1.00 0.00 C ATOM 653 CD GLU A 43 -6.124 -8.003 -8.500 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.969 -8.599 -7.414 1.00 0.00 O ATOM 655 OE2 GLU A 43 -6.455 -8.580 -9.558 1.00 0.00 O ATOM 0 H GLU A 43 -4.299 -5.454 -11.073 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.945 -4.048 -8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.964 -6.807 -9.396 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.935 -6.294 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.300 -6.057 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.459 -6.079 -9.374 1.00 0.00 H new ATOM 662 N TYR A 44 -2.680 -3.889 -7.415 1.00 0.00 N ATOM 663 CA TYR A 44 -1.405 -3.428 -6.878 1.00 0.00 C ATOM 664 C TYR A 44 -1.335 -3.657 -5.371 1.00 0.00 C ATOM 665 O TYR A 44 -2.207 -3.213 -4.623 1.00 0.00 O ATOM 666 CB TYR A 44 -1.203 -1.944 -7.189 1.00 0.00 C ATOM 667 CG TYR A 44 -0.902 -1.666 -8.645 1.00 0.00 C ATOM 668 CD1 TYR A 44 -1.928 -1.467 -9.560 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.407 -1.605 -9.104 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.658 -1.213 -10.891 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.687 -1.350 -10.433 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.349 -1.156 -11.323 1.00 0.00 C ATOM 673 OH TYR A 44 -0.075 -0.904 -12.647 1.00 0.00 O ATOM 0 H TYR A 44 -3.437 -3.926 -6.732 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.610 -4.003 -7.353 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.100 -1.396 -6.901 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.385 -1.561 -6.578 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.954 -1.512 -9.225 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.220 -1.759 -8.410 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.467 -1.060 -11.590 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.711 -1.303 -10.773 1.00 0.00 H new ATOM 0 HH TYR A 44 0.895 -0.896 -12.785 1.00 0.00 H new ATOM 683 N CYS A 45 -0.290 -4.351 -4.933 1.00 0.00 N ATOM 684 CA CYS A 45 -0.104 -4.641 -3.516 1.00 0.00 C ATOM 685 C CYS A 45 0.265 -3.376 -2.747 1.00 0.00 C ATOM 686 O CYS A 45 1.088 -2.579 -3.200 1.00 0.00 O ATOM 687 CB CYS A 45 0.981 -5.701 -3.328 1.00 0.00 C ATOM 688 SG CYS A 45 2.658 -5.032 -3.231 1.00 0.00 S ATOM 0 H CYS A 45 0.441 -4.723 -5.539 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.046 -5.023 -3.122 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.772 -6.262 -2.417 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.931 -6.408 -4.156 1.00 0.00 H new ATOM 0 HG CYS A 45 2.606 -3.733 -3.205 1.00 0.00 H new ATOM 694 N LEU A 46 -0.349 -3.197 -1.582 1.00 0.00 N ATOM 695 CA LEU A 46 -0.086 -2.028 -0.750 1.00 0.00 C ATOM 696 C LEU A 46 1.167 -2.232 0.094 1.00 0.00 C ATOM 697 O LEU A 46 1.229 -3.139 0.925 1.00 0.00 O ATOM 698 CB LEU A 46 -1.285 -1.743 0.156 1.00 0.00 C ATOM 699 CG LEU A 46 -1.135 -0.562 1.116 1.00 0.00 C ATOM 700 CD1 LEU A 46 -0.959 0.735 0.341 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.338 -0.472 2.043 1.00 0.00 C ATOM 0 H LEU A 46 -1.032 -3.847 -1.192 1.00 0.00 H new ATOM 0 HA LEU A 46 0.076 -1.173 -1.407 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.157 -1.565 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.493 -2.638 0.742 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.245 -0.723 1.724 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -0.854 1.565 1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.066 0.669 -0.281 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.831 0.902 -0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.214 0.374 2.719 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.243 -0.334 1.452 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.420 -1.391 2.623 1.00 0.00 H new ATOM 713 N LEU A 47 2.164 -1.380 -0.123 1.00 0.00 N ATOM 714 CA LEU A 47 3.417 -1.465 0.620 1.00 0.00 C ATOM 715 C LEU A 47 3.313 -0.724 1.949 1.00 0.00 C ATOM 716 O LEU A 47 3.459 -1.320 3.017 1.00 0.00 O ATOM 717 CB LEU A 47 4.565 -0.887 -0.210 1.00 0.00 C ATOM 718 CG LEU A 47 4.883 -1.618 -1.515 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.969 -0.884 -2.287 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.304 -3.053 -1.233 1.00 0.00 C ATOM 0 H LEU A 47 2.129 -0.624 -0.806 1.00 0.00 H new ATOM 0 HA LEU A 47 3.618 -2.516 0.826 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.330 0.151 -0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.464 -0.878 0.406 1.00 0.00 H new ATOM 0 HG LEU A 47 3.981 -1.638 -2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.182 -1.419 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.630 0.125 -2.521 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.874 -0.832 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.526 -3.558 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.192 -3.054 -0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.495 -3.576 -0.723 1.00 0.00 H new ATOM 732 N ASP A 48 3.057 0.578 1.877 1.00 0.00 N ATOM 733 CA ASP A 48 2.930 1.400 3.075 1.00 0.00 C ATOM 734 C ASP A 48 2.015 2.594 2.819 1.00 0.00 C ATOM 735 O ASP A 48 2.152 3.289 1.813 1.00 0.00 O ATOM 736 CB ASP A 48 4.305 1.884 3.535 1.00 0.00 C ATOM 737 CG ASP A 48 4.274 2.473 4.932 1.00 0.00 C ATOM 738 OD1 ASP A 48 3.207 2.979 5.339 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.316 2.428 5.618 1.00 0.00 O ATOM 0 H ASP A 48 2.933 1.087 1.002 1.00 0.00 H new ATOM 0 HA ASP A 48 2.488 0.788 3.861 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.007 1.051 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.676 2.634 2.836 1.00 0.00 H new ATOM 744 N SER A 49 1.082 2.824 3.737 1.00 0.00 N ATOM 745 CA SER A 49 0.141 3.931 3.609 1.00 0.00 C ATOM 746 C SER A 49 0.547 5.096 4.507 1.00 0.00 C ATOM 747 O SER A 49 -0.300 5.850 4.986 1.00 0.00 O ATOM 748 CB SER A 49 -1.274 3.469 3.963 1.00 0.00 C ATOM 749 OG SER A 49 -1.372 3.133 5.336 1.00 0.00 O ATOM 0 H SER A 49 0.957 2.259 4.577 1.00 0.00 H new ATOM 0 HA SER A 49 0.156 4.270 2.573 1.00 0.00 H new ATOM 0 HB2 SER A 49 -1.987 4.258 3.727 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.541 2.605 3.354 1.00 0.00 H new ATOM 0 HG SER A 49 -2.286 2.843 5.537 1.00 0.00 H new ATOM 755 N SER A 50 1.850 5.236 4.732 1.00 0.00 N ATOM 756 CA SER A 50 2.370 6.305 5.575 1.00 0.00 C ATOM 757 C SER A 50 1.534 7.573 5.422 1.00 0.00 C ATOM 758 O SER A 50 1.176 8.215 6.408 1.00 0.00 O ATOM 759 CB SER A 50 3.830 6.598 5.223 1.00 0.00 C ATOM 760 OG SER A 50 3.987 6.800 3.830 1.00 0.00 O ATOM 0 H SER A 50 2.565 4.622 4.342 1.00 0.00 H new ATOM 0 HA SER A 50 2.313 5.975 6.612 1.00 0.00 H new ATOM 0 HB2 SER A 50 4.167 7.483 5.762 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.459 5.769 5.547 1.00 0.00 H new ATOM 0 HG SER A 50 4.928 6.987 3.631 1.00 0.00 H new ATOM 766 N GLU A 51 1.228 7.925 4.177 1.00 0.00 N ATOM 767 CA GLU A 51 0.436 9.116 3.894 1.00 0.00 C ATOM 768 C GLU A 51 -1.016 8.747 3.601 1.00 0.00 C ATOM 769 O GLU A 51 -1.334 7.583 3.357 1.00 0.00 O ATOM 770 CB GLU A 51 1.028 9.880 2.708 1.00 0.00 C ATOM 771 CG GLU A 51 2.100 10.882 3.104 1.00 0.00 C ATOM 772 CD GLU A 51 1.715 11.697 4.323 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.833 12.572 4.198 1.00 0.00 O ATOM 774 OE2 GLU A 51 2.296 11.459 5.403 1.00 0.00 O ATOM 0 H GLU A 51 1.516 7.403 3.349 1.00 0.00 H new ATOM 0 HA GLU A 51 0.460 9.755 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.453 9.166 2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.227 10.404 2.188 1.00 0.00 H new ATOM 0 HG2 GLU A 51 3.031 10.352 3.305 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.290 11.554 2.267 1.00 0.00 H new ATOM 781 N ILE A 52 -1.891 9.746 3.628 1.00 0.00 N ATOM 782 CA ILE A 52 -3.308 9.527 3.365 1.00 0.00 C ATOM 783 C ILE A 52 -3.620 9.669 1.879 1.00 0.00 C ATOM 784 O ILE A 52 -4.200 8.772 1.267 1.00 0.00 O ATOM 785 CB ILE A 52 -4.187 10.512 4.159 1.00 0.00 C ATOM 786 CG1 ILE A 52 -3.918 10.374 5.659 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.658 10.272 3.855 1.00 0.00 C ATOM 788 CD1 ILE A 52 -4.311 11.597 6.458 1.00 0.00 C ATOM 0 H ILE A 52 -1.644 10.715 3.829 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.535 8.510 3.686 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.934 11.528 3.856 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.463 9.510 6.040 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.858 10.175 5.813 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.266 10.975 4.423 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.837 10.415 2.789 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -5.926 9.253 4.134 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.092 11.428 7.512 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.747 12.460 6.104 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -5.377 11.785 6.334 1.00 0.00 H new ATOM 800 N HIS A 53 -3.228 10.802 1.303 1.00 0.00 N ATOM 801 CA HIS A 53 -3.464 11.061 -0.112 1.00 0.00 C ATOM 802 C HIS A 53 -2.549 10.203 -0.981 1.00 0.00 C ATOM 803 O HIS A 53 -2.997 9.579 -1.943 1.00 0.00 O ATOM 804 CB HIS A 53 -3.243 12.541 -0.425 1.00 0.00 C ATOM 805 CG HIS A 53 -3.827 13.464 0.599 1.00 0.00 C ATOM 806 ND1 HIS A 53 -5.182 13.688 0.725 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.233 14.221 1.551 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.396 14.543 1.708 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.229 14.882 2.226 1.00 0.00 N ATOM 0 H HIS A 53 -2.746 11.554 1.795 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.498 10.801 -0.336 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -2.173 12.731 -0.505 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.680 12.767 -1.397 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.173 14.292 1.744 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.361 14.904 2.033 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -4.090 15.530 3.002 1.00 0.00 H new ATOM 818 N TRP A 54 -1.267 10.177 -0.636 1.00 0.00 N ATOM 819 CA TRP A 54 -0.289 9.396 -1.385 1.00 0.00 C ATOM 820 C TRP A 54 -0.049 8.045 -0.722 1.00 0.00 C ATOM 821 O TRP A 54 0.333 7.975 0.446 1.00 0.00 O ATOM 822 CB TRP A 54 1.029 10.164 -1.499 1.00 0.00 C ATOM 823 CG TRP A 54 0.862 11.554 -2.035 1.00 0.00 C ATOM 824 CD1 TRP A 54 1.023 12.723 -1.348 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.501 11.918 -3.372 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.784 13.792 -2.176 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.462 13.326 -3.424 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.209 11.194 -4.530 1.00 0.00 C ATOM 829 CZ2 TRP A 54 0.142 14.019 -4.588 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.110 11.883 -5.685 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.140 13.284 -5.707 1.00 0.00 C ATOM 0 H TRP A 54 -0.880 10.688 0.158 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.688 9.223 -2.385 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.498 10.215 -0.516 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.708 9.611 -2.148 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.298 12.796 -0.306 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.837 14.774 -1.906 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.232 10.114 -4.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.117 15.099 -4.607 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.340 11.333 -6.585 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.391 13.794 -6.626 1.00 0.00 H new ATOM 842 N TRP A 55 -0.275 6.974 -1.474 1.00 0.00 N ATOM 843 CA TRP A 55 -0.083 5.623 -0.958 1.00 0.00 C ATOM 844 C TRP A 55 1.018 4.899 -1.726 1.00 0.00 C ATOM 845 O TRP A 55 1.125 5.029 -2.945 1.00 0.00 O ATOM 846 CB TRP A 55 -1.388 4.831 -1.044 1.00 0.00 C ATOM 847 CG TRP A 55 -2.254 4.979 0.170 1.00 0.00 C ATOM 848 CD1 TRP A 55 -2.046 5.818 1.228 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.463 4.266 0.453 1.00 0.00 C ATOM 850 NE1 TRP A 55 -3.054 5.670 2.150 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.936 4.724 1.698 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.194 3.287 -0.226 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.104 4.235 2.276 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.353 2.802 0.349 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.799 3.277 1.590 1.00 0.00 C ATOM 0 H TRP A 55 -0.591 7.014 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 55 0.218 5.699 0.087 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.946 5.158 -1.921 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -1.155 3.776 -1.189 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.212 6.497 1.325 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.133 6.182 3.029 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.859 2.916 -1.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.449 4.599 3.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.925 2.044 -0.166 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.709 2.879 2.013 1.00 0.00 H new ATOM 866 N ARG A 56 1.833 4.136 -1.005 1.00 0.00 N ATOM 867 CA ARG A 56 2.925 3.391 -1.619 1.00 0.00 C ATOM 868 C ARG A 56 2.473 1.988 -2.014 1.00 0.00 C ATOM 869 O ARG A 56 2.081 1.189 -1.164 1.00 0.00 O ATOM 870 CB ARG A 56 4.114 3.305 -0.660 1.00 0.00 C ATOM 871 CG ARG A 56 5.445 3.077 -1.359 1.00 0.00 C ATOM 872 CD ARG A 56 6.609 3.178 -0.386 1.00 0.00 C ATOM 873 NE ARG A 56 7.761 2.396 -0.829 1.00 0.00 N ATOM 874 CZ ARG A 56 8.979 2.527 -0.315 1.00 0.00 C ATOM 875 NH1 ARG A 56 9.202 3.404 0.654 1.00 0.00 N ATOM 876 NH2 ARG A 56 9.977 1.780 -0.770 1.00 0.00 N ATOM 0 H ARG A 56 1.757 4.018 0.005 1.00 0.00 H new ATOM 0 HA ARG A 56 3.231 3.922 -2.521 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.170 4.227 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.941 2.494 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.447 2.094 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.570 3.811 -2.155 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.900 4.223 -0.276 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.291 2.831 0.597 1.00 0.00 H new ATOM 0 HE ARG A 56 7.623 1.712 -1.573 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.438 3.980 1.006 1.00 0.00 H new ATOM 0 HH12 ARG A 56 10.138 3.503 1.047 1.00 0.00 H new ATOM 0 HH21 ARG A 56 9.809 1.104 -1.515 1.00 0.00 H new ATOM 0 HH22 ARG A 56 10.912 1.882 -0.374 1.00 0.00 H new ATOM 890 N VAL A 57 2.530 1.696 -3.309 1.00 0.00 N ATOM 891 CA VAL A 57 2.128 0.390 -3.817 1.00 0.00 C ATOM 892 C VAL A 57 3.216 -0.217 -4.695 1.00 0.00 C ATOM 893 O VAL A 57 4.204 0.440 -5.019 1.00 0.00 O ATOM 894 CB VAL A 57 0.821 0.481 -4.627 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.267 1.161 -3.810 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.056 1.219 -5.936 1.00 0.00 C ATOM 0 H VAL A 57 2.851 2.347 -4.026 1.00 0.00 H new ATOM 0 HA VAL A 57 1.966 -0.250 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 57 0.488 -0.530 -4.861 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.183 1.216 -4.398 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.453 0.587 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.054 2.168 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.122 1.274 -6.495 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.413 2.227 -5.726 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.801 0.685 -6.526 1.00 0.00 H new ATOM 906 N GLN A 58 3.026 -1.476 -5.077 1.00 0.00 N ATOM 907 CA GLN A 58 3.992 -2.172 -5.919 1.00 0.00 C ATOM 908 C GLN A 58 3.308 -2.795 -7.132 1.00 0.00 C ATOM 909 O GLN A 58 2.230 -3.378 -7.017 1.00 0.00 O ATOM 910 CB GLN A 58 4.714 -3.254 -5.114 1.00 0.00 C ATOM 911 CG GLN A 58 6.127 -3.532 -5.600 1.00 0.00 C ATOM 912 CD GLN A 58 7.043 -4.009 -4.490 1.00 0.00 C ATOM 913 OE1 GLN A 58 6.914 -5.132 -4.003 1.00 0.00 O ATOM 914 NE2 GLN A 58 7.976 -3.155 -4.084 1.00 0.00 N ATOM 0 H GLN A 58 2.213 -2.034 -4.817 1.00 0.00 H new ATOM 0 HA GLN A 58 4.722 -1.443 -6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.751 -2.952 -4.067 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.135 -4.176 -5.159 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.095 -4.285 -6.388 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.540 -2.625 -6.042 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.047 -2.234 -4.516 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.622 -3.421 -3.340 1.00 0.00 H new ATOM 923 N ASP A 59 3.942 -2.667 -8.292 1.00 0.00 N ATOM 924 CA ASP A 59 3.395 -3.218 -9.527 1.00 0.00 C ATOM 925 C ASP A 59 3.691 -4.711 -9.634 1.00 0.00 C ATOM 926 O ASP A 59 4.495 -5.250 -8.873 1.00 0.00 O ATOM 927 CB ASP A 59 3.972 -2.483 -10.738 1.00 0.00 C ATOM 928 CG ASP A 59 3.329 -2.919 -12.040 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.113 -3.204 -12.034 1.00 0.00 O ATOM 930 OD2 ASP A 59 4.041 -2.976 -13.064 1.00 0.00 O ATOM 0 H ASP A 59 4.835 -2.187 -8.403 1.00 0.00 H new ATOM 0 HA ASP A 59 2.314 -3.081 -9.510 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.832 -1.410 -10.609 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.046 -2.661 -10.789 1.00 0.00 H new ATOM 935 N ARG A 60 3.036 -5.372 -10.582 1.00 0.00 N ATOM 936 CA ARG A 60 3.228 -6.803 -10.787 1.00 0.00 C ATOM 937 C ARG A 60 4.707 -7.135 -10.958 1.00 0.00 C ATOM 938 O ARG A 60 5.189 -8.147 -10.451 1.00 0.00 O ATOM 939 CB ARG A 60 2.444 -7.274 -12.013 1.00 0.00 C ATOM 940 CG ARG A 60 2.676 -8.735 -12.361 1.00 0.00 C ATOM 941 CD ARG A 60 1.743 -9.648 -11.583 1.00 0.00 C ATOM 942 NE ARG A 60 2.094 -11.057 -11.744 1.00 0.00 N ATOM 943 CZ ARG A 60 3.089 -11.645 -11.089 1.00 0.00 C ATOM 944 NH1 ARG A 60 3.827 -10.951 -10.234 1.00 0.00 N ATOM 945 NH2 ARG A 60 3.348 -12.931 -11.290 1.00 0.00 N ATOM 0 H ARG A 60 2.368 -4.940 -11.220 1.00 0.00 H new ATOM 0 HA ARG A 60 2.856 -7.323 -9.904 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.380 -7.116 -11.836 1.00 0.00 H new ATOM 0 HB3 ARG A 60 2.720 -6.657 -12.869 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.524 -8.884 -13.430 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.711 -9.002 -12.146 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.777 -9.385 -10.526 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.718 -9.489 -11.918 1.00 0.00 H new ATOM 0 HE ARG A 60 1.545 -11.620 -12.394 1.00 0.00 H new ATOM 0 HH11 ARG A 60 3.632 -9.962 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 60 4.590 -11.406 -9.733 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.783 -13.468 -11.948 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.112 -13.382 -10.787 1.00 0.00 H new ATOM 959 N ASN A 61 5.422 -6.274 -11.675 1.00 0.00 N ATOM 960 CA ASN A 61 6.847 -6.476 -11.914 1.00 0.00 C ATOM 961 C ASN A 61 7.669 -6.034 -10.707 1.00 0.00 C ATOM 962 O ASN A 61 8.681 -6.649 -10.373 1.00 0.00 O ATOM 963 CB ASN A 61 7.291 -5.705 -13.158 1.00 0.00 C ATOM 964 CG ASN A 61 7.130 -6.516 -14.429 1.00 0.00 C ATOM 965 OD1 ASN A 61 7.873 -7.468 -14.669 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.157 -6.140 -15.251 1.00 0.00 N ATOM 0 H ASN A 61 5.038 -5.430 -12.101 1.00 0.00 H new ATOM 0 HA ASN A 61 7.016 -7.541 -12.076 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.709 -4.787 -13.240 1.00 0.00 H new ATOM 0 HB3 ASN A 61 8.335 -5.412 -13.047 1.00 0.00 H new ATOM 0 HD21 ASN A 61 6.001 -6.647 -16.122 1.00 0.00 H new ATOM 0 HD22 ASN A 61 5.565 -5.345 -15.011 1.00 0.00 H new ATOM 973 N GLY A 62 7.225 -4.963 -10.055 1.00 0.00 N ATOM 974 CA GLY A 62 7.930 -4.457 -8.893 1.00 0.00 C ATOM 975 C GLY A 62 7.956 -2.942 -8.844 1.00 0.00 C ATOM 976 O GLY A 62 8.392 -2.353 -7.855 1.00 0.00 O ATOM 0 H GLY A 62 6.389 -4.437 -10.312 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.455 -4.838 -7.989 1.00 0.00 H new ATOM 0 HA3 GLY A 62 8.952 -4.835 -8.899 1.00 0.00 H new ATOM 980 N HIS A 63 7.491 -2.310 -9.917 1.00 0.00 N ATOM 981 CA HIS A 63 7.464 -0.853 -9.993 1.00 0.00 C ATOM 982 C HIS A 63 6.630 -0.265 -8.860 1.00 0.00 C ATOM 983 O HIS A 63 5.414 -0.448 -8.813 1.00 0.00 O ATOM 984 CB HIS A 63 6.903 -0.403 -11.342 1.00 0.00 C ATOM 985 CG HIS A 63 7.442 -1.179 -12.505 1.00 0.00 C ATOM 986 ND1 HIS A 63 6.737 -1.368 -13.675 1.00 0.00 N ATOM 987 CD2 HIS A 63 8.625 -1.814 -12.673 1.00 0.00 C ATOM 988 CE1 HIS A 63 7.463 -2.087 -14.512 1.00 0.00 C ATOM 989 NE2 HIS A 63 8.613 -2.371 -13.928 1.00 0.00 N ATOM 0 H HIS A 63 7.128 -2.783 -10.745 1.00 0.00 H new ATOM 0 HA HIS A 63 8.487 -0.489 -9.893 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.817 -0.498 -11.324 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.128 0.654 -11.485 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.429 -1.872 -11.954 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.167 -2.391 -15.505 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.369 -2.916 -14.342 1.00 0.00 H new ATOM 998 N GLU A 64 7.292 0.441 -7.948 1.00 0.00 N ATOM 999 CA GLU A 64 6.610 1.054 -6.814 1.00 0.00 C ATOM 1000 C GLU A 64 6.820 2.565 -6.806 1.00 0.00 C ATOM 1001 O GLU A 64 7.679 3.088 -7.515 1.00 0.00 O ATOM 1002 CB GLU A 64 7.113 0.450 -5.501 1.00 0.00 C ATOM 1003 CG GLU A 64 8.624 0.302 -5.439 1.00 0.00 C ATOM 1004 CD GLU A 64 9.330 1.622 -5.200 1.00 0.00 C ATOM 1005 OE1 GLU A 64 9.328 2.097 -4.046 1.00 0.00 O ATOM 1006 OE2 GLU A 64 9.886 2.180 -6.169 1.00 0.00 O ATOM 0 H GLU A 64 8.299 0.602 -7.972 1.00 0.00 H new ATOM 0 HA GLU A 64 5.543 0.854 -6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.783 1.077 -4.673 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.654 -0.529 -5.362 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.885 -0.395 -4.642 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.981 -0.133 -6.372 1.00 0.00 H new ATOM 1013 N GLY A 65 6.028 3.263 -5.997 1.00 0.00 N ATOM 1014 CA GLY A 65 6.141 4.707 -5.911 1.00 0.00 C ATOM 1015 C GLY A 65 4.972 5.338 -5.182 1.00 0.00 C ATOM 1016 O GLY A 65 4.245 4.660 -4.455 1.00 0.00 O ATOM 0 H GLY A 65 5.310 2.853 -5.400 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.067 4.966 -5.398 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.206 5.124 -6.916 1.00 0.00 H new ATOM 1020 N TYR A 66 4.789 6.639 -5.375 1.00 0.00 N ATOM 1021 CA TYR A 66 3.702 7.363 -4.727 1.00 0.00 C ATOM 1022 C TYR A 66 2.553 7.608 -5.701 1.00 0.00 C ATOM 1023 O TYR A 66 2.757 8.115 -6.804 1.00 0.00 O ATOM 1024 CB TYR A 66 4.208 8.696 -4.173 1.00 0.00 C ATOM 1025 CG TYR A 66 5.204 8.544 -3.046 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.936 7.717 -1.962 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.413 9.228 -3.064 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.842 7.575 -0.930 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.326 9.091 -2.036 1.00 0.00 C ATOM 1030 CZ TYR A 66 7.037 8.264 -0.972 1.00 0.00 C ATOM 1031 OH TYR A 66 7.943 8.126 0.054 1.00 0.00 O ATOM 0 H TYR A 66 5.380 7.214 -5.975 1.00 0.00 H new ATOM 0 HA TYR A 66 3.333 6.751 -3.904 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.670 9.264 -4.981 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.358 9.279 -3.819 1.00 0.00 H new ATOM 0 HD1 TYR A 66 4.002 7.176 -1.926 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.643 9.878 -3.895 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.617 6.928 -0.095 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.262 9.629 -2.066 1.00 0.00 H new ATOM 0 HH TYR A 66 8.732 8.677 -0.130 1.00 0.00 H new ATOM 1041 N VAL A 67 1.345 7.243 -5.285 1.00 0.00 N ATOM 1042 CA VAL A 67 0.162 7.424 -6.118 1.00 0.00 C ATOM 1043 C VAL A 67 -1.038 7.855 -5.283 1.00 0.00 C ATOM 1044 O VAL A 67 -1.132 7.565 -4.090 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.192 6.131 -6.878 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.813 5.873 -7.990 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.255 4.951 -5.920 1.00 0.00 C ATOM 0 H VAL A 67 1.159 6.820 -4.376 1.00 0.00 H new ATOM 0 HA VAL A 67 0.399 8.207 -6.838 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.175 6.254 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.547 4.956 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.803 6.708 -8.690 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.810 5.770 -7.562 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.506 4.046 -6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.713 4.823 -5.436 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.017 5.137 -5.163 1.00 0.00 H new ATOM 1057 N PRO A 68 -1.980 8.563 -5.923 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.193 9.049 -5.258 1.00 0.00 C ATOM 1059 C PRO A 68 -4.150 7.917 -4.899 1.00 0.00 C ATOM 1060 O PRO A 68 -4.725 7.275 -5.777 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.825 9.971 -6.303 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.319 9.466 -7.610 1.00 0.00 C ATOM 1063 CD PRO A 68 -1.934 8.945 -7.344 1.00 0.00 C ATOM 0 HA PRO A 68 -2.969 9.543 -4.313 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -4.913 9.932 -6.258 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.536 11.009 -6.141 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -3.964 8.679 -8.000 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.300 10.261 -8.355 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.696 8.094 -7.981 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.176 9.705 -7.531 1.00 0.00 H new ATOM 1071 N SER A 69 -4.316 7.678 -3.602 1.00 0.00 N ATOM 1072 CA SER A 69 -5.200 6.621 -3.126 1.00 0.00 C ATOM 1073 C SER A 69 -6.514 6.622 -3.902 1.00 0.00 C ATOM 1074 O SER A 69 -7.065 5.567 -4.214 1.00 0.00 O ATOM 1075 CB SER A 69 -5.477 6.792 -1.631 1.00 0.00 C ATOM 1076 OG SER A 69 -6.282 7.933 -1.389 1.00 0.00 O ATOM 0 H SER A 69 -3.850 8.202 -2.862 1.00 0.00 H new ATOM 0 HA SER A 69 -4.703 5.665 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.976 5.903 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.534 6.887 -1.092 1.00 0.00 H new ATOM 0 HG SER A 69 -6.446 8.019 -0.427 1.00 0.00 H new ATOM 1082 N SER A 70 -7.011 7.816 -4.209 1.00 0.00 N ATOM 1083 CA SER A 70 -8.262 7.957 -4.944 1.00 0.00 C ATOM 1084 C SER A 70 -8.356 6.922 -6.061 1.00 0.00 C ATOM 1085 O SER A 70 -9.383 6.263 -6.227 1.00 0.00 O ATOM 1086 CB SER A 70 -8.379 9.366 -5.529 1.00 0.00 C ATOM 1087 OG SER A 70 -8.276 10.350 -4.514 1.00 0.00 O ATOM 0 H SER A 70 -6.566 8.700 -3.960 1.00 0.00 H new ATOM 0 HA SER A 70 -9.084 7.791 -4.248 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.596 9.521 -6.271 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.333 9.471 -6.046 1.00 0.00 H new ATOM 0 HG SER A 70 -8.352 11.242 -4.914 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.277 6.784 -6.823 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.237 5.831 -7.926 1.00 0.00 C ATOM 1095 C TYR A 71 -7.298 4.397 -7.409 1.00 0.00 C ATOM 1096 O TYR A 71 -7.992 3.550 -7.973 1.00 0.00 O ATOM 1097 CB TYR A 71 -5.968 6.033 -8.756 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.037 7.219 -9.690 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.409 8.474 -9.224 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -5.732 7.085 -11.039 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.475 9.561 -10.074 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -5.794 8.167 -11.896 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.166 9.403 -11.409 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.230 10.482 -12.260 1.00 0.00 O ATOM 0 H TYR A 71 -6.418 7.320 -6.697 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.108 6.007 -8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.120 6.160 -8.083 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -5.779 5.132 -9.340 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.651 8.602 -8.179 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.442 6.119 -11.424 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -6.767 10.529 -9.695 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.553 8.046 -12.942 1.00 0.00 H new ATOM 0 HH TYR A 71 -5.981 10.200 -13.165 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.567 4.132 -6.332 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.536 2.801 -5.736 1.00 0.00 C ATOM 1116 C LEU A 72 -7.875 2.465 -5.086 1.00 0.00 C ATOM 1117 O LEU A 72 -8.559 3.342 -4.560 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.416 2.710 -4.699 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.005 3.007 -5.207 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -2.994 2.891 -4.077 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.641 2.069 -6.349 1.00 0.00 C ATOM 0 H LEU A 72 -5.988 4.822 -5.853 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.346 2.079 -6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.642 3.403 -3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.423 1.707 -4.273 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.983 4.030 -5.582 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.996 3.106 -4.458 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.243 3.604 -3.291 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.017 1.880 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.633 2.295 -6.698 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.681 1.037 -5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.347 2.202 -7.168 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.242 1.188 -5.126 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.497 0.734 -4.538 1.00 0.00 C ATOM 1135 C VAL A 73 -9.364 -0.679 -3.982 1.00 0.00 C ATOM 1136 O VAL A 73 -8.842 -1.572 -4.649 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.642 0.764 -5.568 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.546 2.008 -6.437 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.624 -0.495 -6.420 1.00 0.00 C ATOM 0 H VAL A 73 -7.688 0.449 -5.560 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.732 1.420 -3.724 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.590 0.798 -5.031 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.363 2.012 -7.158 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.612 2.896 -5.809 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.594 2.009 -6.967 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.439 -0.457 -7.142 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.673 -0.563 -6.949 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.746 -1.369 -5.780 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.841 -0.875 -2.757 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.776 -2.181 -2.112 1.00 0.00 C ATOM 1151 C GLU A 74 -10.641 -3.197 -2.851 1.00 0.00 C ATOM 1152 O GLU A 74 -11.862 -3.057 -2.919 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.226 -2.077 -0.653 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.595 -3.120 0.254 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.442 -3.418 1.477 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.692 -2.484 2.267 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -10.853 -4.585 1.643 1.00 0.00 O ATOM 0 H GLU A 74 -10.277 -0.146 -2.192 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.741 -2.521 -2.142 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.981 -1.084 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.310 -2.177 -0.608 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.440 -4.040 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.612 -2.772 0.573 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.999 -4.220 -3.404 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.708 -5.262 -4.139 1.00 0.00 C ATOM 1166 C LYS A 75 -12.037 -5.593 -3.467 1.00 0.00 C ATOM 1167 O LYS A 75 -12.069 -6.207 -2.401 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.846 -6.523 -4.236 1.00 0.00 C ATOM 1169 CG LYS A 75 -10.444 -7.602 -5.121 1.00 0.00 C ATOM 1170 CD LYS A 75 -10.220 -7.303 -6.594 1.00 0.00 C ATOM 1171 CE LYS A 75 -10.577 -8.496 -7.466 1.00 0.00 C ATOM 1172 NZ LYS A 75 -12.031 -8.535 -7.785 1.00 0.00 N ATOM 0 H LYS A 75 -8.988 -4.350 -3.357 1.00 0.00 H new ATOM 0 HA LYS A 75 -10.911 -4.890 -5.143 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.863 -6.252 -4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.695 -6.928 -3.235 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.999 -8.566 -4.873 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -11.513 -7.684 -4.924 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -10.823 -6.443 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -9.177 -7.031 -6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.003 -8.454 -8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.292 -9.416 -6.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -12.234 -9.363 -8.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.578 -8.601 -6.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.298 -7.668 -8.294 1.00 0.00 H new