USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 402 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 20 THR OG1 : rot 38:sc= 0.146 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= -0.114 X(o=-0.11,f=-0.47) USER MOD Single : A 44 TYR OH : rot 180:sc= -0.599 USER MOD Single : A 45 CYS SG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 53 HIS : no HD1:sc= -0.115 X(o=-0.11,f=-0.064) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 ASN : amide:sc= -0.965 K(o=-0.97,f=0.43) USER MOD Single : A 63 HIS : no HD1:sc= -1.79 K(o=-1.8,f=-0.52) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -135:sc= 0.341 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+ -158:sc= 0.0298 (180deg=0.00127) USER MOD ----------------------------------------------------------------- ATOM 271 N THR A 20 -2.955 -6.883 1.355 1.00 0.00 N ATOM 272 CA THR A 20 -3.903 -5.886 0.876 1.00 0.00 C ATOM 273 C THR A 20 -3.641 -5.535 -0.584 1.00 0.00 C ATOM 274 O THR A 20 -2.600 -4.969 -0.920 1.00 0.00 O ATOM 275 CB THR A 20 -3.840 -4.599 1.720 1.00 0.00 C ATOM 276 OG1 THR A 20 -3.960 -4.919 3.111 1.00 0.00 O ATOM 277 CG2 THR A 20 -4.946 -3.634 1.320 1.00 0.00 C ATOM 0 HA THR A 20 -4.896 -6.325 0.969 1.00 0.00 H new ATOM 0 HB THR A 20 -2.878 -4.119 1.539 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.471 -5.747 3.299 1.00 0.00 H new ATOM 0 HG21 THR A 20 -4.881 -2.733 1.930 1.00 0.00 H new ATOM 0 HG22 THR A 20 -4.835 -3.369 0.268 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.916 -4.107 1.475 1.00 0.00 H new ATOM 285 N VAL A 21 -4.591 -5.875 -1.450 1.00 0.00 N ATOM 286 CA VAL A 21 -4.463 -5.594 -2.875 1.00 0.00 C ATOM 287 C VAL A 21 -5.500 -4.574 -3.329 1.00 0.00 C ATOM 288 O VAL A 21 -6.671 -4.655 -2.958 1.00 0.00 O ATOM 289 CB VAL A 21 -4.616 -6.875 -3.716 1.00 0.00 C ATOM 290 CG1 VAL A 21 -4.515 -6.556 -5.199 1.00 0.00 C ATOM 291 CG2 VAL A 21 -3.573 -7.905 -3.311 1.00 0.00 C ATOM 0 H VAL A 21 -5.458 -6.345 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.464 -5.185 -3.028 1.00 0.00 H new ATOM 0 HB VAL A 21 -5.603 -7.297 -3.527 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.625 -7.474 -5.777 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.304 -5.856 -5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -3.543 -6.109 -5.410 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -3.696 -8.804 -3.915 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.576 -7.495 -3.469 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.699 -8.156 -2.258 1.00 0.00 H new ATOM 301 N VAL A 22 -5.063 -3.612 -4.136 1.00 0.00 N ATOM 302 CA VAL A 22 -5.954 -2.576 -4.644 1.00 0.00 C ATOM 303 C VAL A 22 -5.917 -2.516 -6.167 1.00 0.00 C ATOM 304 O VAL A 22 -5.058 -3.130 -6.801 1.00 0.00 O ATOM 305 CB VAL A 22 -5.585 -1.192 -4.078 1.00 0.00 C ATOM 306 CG1 VAL A 22 -6.043 -1.067 -2.632 1.00 0.00 C ATOM 307 CG2 VAL A 22 -4.088 -0.951 -4.194 1.00 0.00 C ATOM 0 H VAL A 22 -4.097 -3.529 -4.452 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.961 -2.838 -4.318 1.00 0.00 H new ATOM 0 HB VAL A 22 -6.099 -0.430 -4.664 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.774 -0.083 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.124 -1.193 -2.581 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.559 -1.836 -2.029 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -3.845 0.032 -3.789 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -3.552 -1.717 -3.634 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.793 -0.995 -5.242 1.00 0.00 H new ATOM 317 N ILE A 23 -6.853 -1.773 -6.747 1.00 0.00 N ATOM 318 CA ILE A 23 -6.925 -1.631 -8.196 1.00 0.00 C ATOM 319 C ILE A 23 -7.024 -0.165 -8.601 1.00 0.00 C ATOM 320 O ILE A 23 -7.582 0.655 -7.873 1.00 0.00 O ATOM 321 CB ILE A 23 -8.131 -2.394 -8.776 1.00 0.00 C ATOM 322 CG1 ILE A 23 -8.116 -3.850 -8.304 1.00 0.00 C ATOM 323 CG2 ILE A 23 -8.120 -2.325 -10.296 1.00 0.00 C ATOM 324 CD1 ILE A 23 -9.478 -4.509 -8.335 1.00 0.00 C ATOM 0 H ILE A 23 -7.572 -1.260 -6.236 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.006 -2.056 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 23 -9.046 -1.924 -8.417 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.431 -4.420 -8.932 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -7.725 -3.890 -7.287 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -8.978 -2.869 -10.691 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -8.173 -1.284 -10.613 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -7.201 -2.773 -10.674 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.392 -5.539 -7.988 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.161 -3.963 -7.685 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.863 -4.501 -9.355 1.00 0.00 H new ATOM 336 N ALA A 24 -6.479 0.159 -9.770 1.00 0.00 N ATOM 337 CA ALA A 24 -6.508 1.526 -10.274 1.00 0.00 C ATOM 338 C ALA A 24 -7.718 1.753 -11.175 1.00 0.00 C ATOM 339 O ALA A 24 -7.872 1.091 -12.202 1.00 0.00 O ATOM 340 CB ALA A 24 -5.222 1.839 -11.025 1.00 0.00 C ATOM 0 H ALA A 24 -6.012 -0.507 -10.385 1.00 0.00 H new ATOM 0 HA ALA A 24 -6.591 2.200 -9.421 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -5.257 2.863 -11.396 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -4.371 1.726 -10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -5.115 1.152 -11.865 1.00 0.00 H new ATOM 346 N LEU A 25 -8.573 2.690 -10.783 1.00 0.00 N ATOM 347 CA LEU A 25 -9.770 3.004 -11.555 1.00 0.00 C ATOM 348 C LEU A 25 -9.404 3.616 -12.904 1.00 0.00 C ATOM 349 O LEU A 25 -10.022 3.312 -13.924 1.00 0.00 O ATOM 350 CB LEU A 25 -10.668 3.965 -10.773 1.00 0.00 C ATOM 351 CG LEU A 25 -11.093 3.502 -9.379 1.00 0.00 C ATOM 352 CD1 LEU A 25 -11.379 4.698 -8.484 1.00 0.00 C ATOM 353 CD2 LEU A 25 -12.311 2.595 -9.467 1.00 0.00 C ATOM 0 H LEU A 25 -8.460 3.246 -9.935 1.00 0.00 H new ATOM 0 HA LEU A 25 -10.311 2.075 -11.733 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -10.148 4.918 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -11.566 4.151 -11.362 1.00 0.00 H new ATOM 0 HG LEU A 25 -10.273 2.934 -8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.680 4.349 -7.496 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.481 5.309 -8.395 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -12.182 5.294 -8.919 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.599 2.275 -8.466 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.137 3.138 -9.926 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.071 1.721 -10.072 1.00 0.00 H new ATOM 365 N TYR A 26 -8.394 4.479 -12.901 1.00 0.00 N ATOM 366 CA TYR A 26 -7.945 5.134 -14.124 1.00 0.00 C ATOM 367 C TYR A 26 -6.431 5.021 -14.278 1.00 0.00 C ATOM 368 O TYR A 26 -5.701 4.916 -13.292 1.00 0.00 O ATOM 369 CB TYR A 26 -8.359 6.606 -14.120 1.00 0.00 C ATOM 370 CG TYR A 26 -9.724 6.849 -13.516 1.00 0.00 C ATOM 371 CD1 TYR A 26 -10.869 6.816 -14.303 1.00 0.00 C ATOM 372 CD2 TYR A 26 -9.868 7.113 -12.160 1.00 0.00 C ATOM 373 CE1 TYR A 26 -12.118 7.039 -13.756 1.00 0.00 C ATOM 374 CE2 TYR A 26 -11.113 7.335 -11.604 1.00 0.00 C ATOM 375 CZ TYR A 26 -12.235 7.297 -12.406 1.00 0.00 C ATOM 376 OH TYR A 26 -13.477 7.519 -11.856 1.00 0.00 O ATOM 0 H TYR A 26 -7.871 4.741 -12.066 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.417 4.633 -14.969 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.618 7.182 -13.566 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -8.352 6.980 -15.144 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -10.781 6.613 -15.360 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.992 7.145 -11.530 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.998 7.011 -14.382 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -11.208 7.537 -10.547 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.384 7.684 -10.895 1.00 0.00 H new ATOM 386 N ASP A 27 -5.967 5.043 -15.522 1.00 0.00 N ATOM 387 CA ASP A 27 -4.540 4.944 -15.808 1.00 0.00 C ATOM 388 C ASP A 27 -3.825 6.245 -15.458 1.00 0.00 C ATOM 389 O ASP A 27 -3.793 7.183 -16.256 1.00 0.00 O ATOM 390 CB ASP A 27 -4.316 4.606 -17.283 1.00 0.00 C ATOM 391 CG ASP A 27 -4.976 5.604 -18.213 1.00 0.00 C ATOM 392 OD1 ASP A 27 -4.332 6.620 -18.548 1.00 0.00 O ATOM 393 OD2 ASP A 27 -6.138 5.368 -18.606 1.00 0.00 O ATOM 0 H ASP A 27 -6.558 5.129 -16.349 1.00 0.00 H new ATOM 0 HA ASP A 27 -4.126 4.145 -15.193 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -3.246 4.576 -17.487 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -4.707 3.609 -17.488 1.00 0.00 H new ATOM 398 N TYR A 28 -3.253 6.296 -14.260 1.00 0.00 N ATOM 399 CA TYR A 28 -2.541 7.483 -13.802 1.00 0.00 C ATOM 400 C TYR A 28 -1.179 7.597 -14.480 1.00 0.00 C ATOM 401 O TYR A 28 -0.447 6.614 -14.594 1.00 0.00 O ATOM 402 CB TYR A 28 -2.366 7.444 -12.283 1.00 0.00 C ATOM 403 CG TYR A 28 -1.602 8.627 -11.731 1.00 0.00 C ATOM 404 CD1 TYR A 28 -2.151 9.904 -11.751 1.00 0.00 C ATOM 405 CD2 TYR A 28 -0.333 8.468 -11.189 1.00 0.00 C ATOM 406 CE1 TYR A 28 -1.456 10.987 -11.248 1.00 0.00 C ATOM 407 CE2 TYR A 28 0.368 9.545 -10.683 1.00 0.00 C ATOM 408 CZ TYR A 28 -0.197 10.803 -10.716 1.00 0.00 C ATOM 409 OH TYR A 28 0.497 11.879 -10.213 1.00 0.00 O ATOM 0 H TYR A 28 -3.269 5.529 -13.588 1.00 0.00 H new ATOM 0 HA TYR A 28 -3.134 8.357 -14.070 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -3.349 7.406 -11.813 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.846 6.526 -12.009 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.137 10.052 -12.166 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.113 7.485 -11.163 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -1.897 11.973 -11.271 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.353 9.403 -10.264 1.00 0.00 H new ATOM 0 HH TYR A 28 1.366 11.579 -9.875 1.00 0.00 H new ATOM 507 N GLU A 35 7.389 9.146 -8.253 1.00 0.00 N ATOM 508 CA GLU A 35 5.984 8.893 -8.548 1.00 0.00 C ATOM 509 C GLU A 35 5.833 7.715 -9.508 1.00 0.00 C ATOM 510 O GLU A 35 6.658 7.518 -10.401 1.00 0.00 O ATOM 511 CB GLU A 35 5.334 10.141 -9.149 1.00 0.00 C ATOM 512 CG GLU A 35 5.072 11.240 -8.133 1.00 0.00 C ATOM 513 CD GLU A 35 4.222 12.363 -8.694 1.00 0.00 C ATOM 514 OE1 GLU A 35 4.738 13.138 -9.527 1.00 0.00 O ATOM 515 OE2 GLU A 35 3.041 12.467 -8.301 1.00 0.00 O ATOM 0 HA GLU A 35 5.482 8.644 -7.613 1.00 0.00 H new ATOM 0 HB2 GLU A 35 5.978 10.532 -9.937 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.391 9.859 -9.618 1.00 0.00 H new ATOM 0 HG2 GLU A 35 4.575 10.813 -7.262 1.00 0.00 H new ATOM 0 HG3 GLU A 35 6.023 11.646 -7.790 1.00 0.00 H new ATOM 522 N LEU A 36 4.775 6.936 -9.316 1.00 0.00 N ATOM 523 CA LEU A 36 4.515 5.777 -10.163 1.00 0.00 C ATOM 524 C LEU A 36 3.233 5.967 -10.968 1.00 0.00 C ATOM 525 O LEU A 36 2.272 6.568 -10.489 1.00 0.00 O ATOM 526 CB LEU A 36 4.413 4.510 -9.312 1.00 0.00 C ATOM 527 CG LEU A 36 3.975 3.242 -10.045 1.00 0.00 C ATOM 528 CD1 LEU A 36 5.178 2.529 -10.642 1.00 0.00 C ATOM 529 CD2 LEU A 36 3.217 2.317 -9.104 1.00 0.00 C ATOM 0 H LEU A 36 4.083 7.085 -8.582 1.00 0.00 H new ATOM 0 HA LEU A 36 5.347 5.673 -10.859 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.385 4.324 -8.855 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.710 4.697 -8.500 1.00 0.00 H new ATOM 0 HG LEU A 36 3.307 3.527 -10.858 1.00 0.00 H new ATOM 0 HD11 LEU A 36 4.847 1.629 -11.160 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.679 3.191 -11.348 1.00 0.00 H new ATOM 0 HD13 LEU A 36 5.871 2.256 -9.846 1.00 0.00 H new ATOM 0 HD21 LEU A 36 2.913 1.420 -9.643 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.861 2.039 -8.270 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.333 2.829 -8.724 1.00 0.00 H new ATOM 541 N ALA A 37 3.226 5.449 -12.192 1.00 0.00 N ATOM 542 CA ALA A 37 2.061 5.558 -13.061 1.00 0.00 C ATOM 543 C ALA A 37 1.200 4.302 -12.985 1.00 0.00 C ATOM 544 O ALA A 37 1.547 3.264 -13.549 1.00 0.00 O ATOM 545 CB ALA A 37 2.496 5.816 -14.496 1.00 0.00 C ATOM 0 H ALA A 37 4.014 4.950 -12.604 1.00 0.00 H new ATOM 0 HA ALA A 37 1.460 6.400 -12.718 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.616 5.895 -15.134 1.00 0.00 H new ATOM 0 HB2 ALA A 37 3.063 6.746 -14.543 1.00 0.00 H new ATOM 0 HB3 ALA A 37 3.121 4.992 -14.840 1.00 0.00 H new ATOM 551 N LEU A 38 0.076 4.403 -12.283 1.00 0.00 N ATOM 552 CA LEU A 38 -0.835 3.274 -12.132 1.00 0.00 C ATOM 553 C LEU A 38 -1.338 2.795 -13.490 1.00 0.00 C ATOM 554 O LEU A 38 -1.224 3.504 -14.491 1.00 0.00 O ATOM 555 CB LEU A 38 -2.020 3.665 -11.246 1.00 0.00 C ATOM 556 CG LEU A 38 -1.731 3.772 -9.749 1.00 0.00 C ATOM 557 CD1 LEU A 38 -2.918 4.381 -9.018 1.00 0.00 C ATOM 558 CD2 LEU A 38 -1.390 2.406 -9.172 1.00 0.00 C ATOM 0 H LEU A 38 -0.226 5.255 -11.810 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.288 2.458 -11.659 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.405 4.625 -11.591 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.814 2.932 -11.391 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.871 4.427 -9.611 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -2.694 4.449 -7.953 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -3.115 5.378 -9.412 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.797 3.753 -9.164 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.187 2.502 -8.105 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.230 1.728 -9.322 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.508 2.009 -9.675 1.00 0.00 H new ATOM 570 N ARG A 39 -1.895 1.589 -13.517 1.00 0.00 N ATOM 571 CA ARG A 39 -2.416 1.015 -14.752 1.00 0.00 C ATOM 572 C ARG A 39 -3.900 0.688 -14.616 1.00 0.00 C ATOM 573 O ARG A 39 -4.316 0.031 -13.661 1.00 0.00 O ATOM 574 CB ARG A 39 -1.636 -0.248 -15.122 1.00 0.00 C ATOM 575 CG ARG A 39 -1.877 -0.717 -16.547 1.00 0.00 C ATOM 576 CD ARG A 39 -1.158 0.168 -17.554 1.00 0.00 C ATOM 577 NE ARG A 39 -0.987 -0.496 -18.843 1.00 0.00 N ATOM 578 CZ ARG A 39 -0.191 -1.543 -19.030 1.00 0.00 C ATOM 579 NH1 ARG A 39 0.503 -2.043 -18.017 1.00 0.00 N ATOM 580 NH2 ARG A 39 -0.088 -2.093 -20.234 1.00 0.00 N ATOM 0 H ARG A 39 -1.997 0.990 -12.698 1.00 0.00 H new ATOM 0 HA ARG A 39 -2.295 1.753 -15.545 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.571 -0.060 -14.986 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.909 -1.048 -14.434 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -1.534 -1.746 -16.655 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.947 -0.714 -16.756 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.722 1.090 -17.693 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -0.182 0.448 -17.158 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.507 -0.136 -19.643 1.00 0.00 H new ATOM 0 HH11 ARG A 39 0.427 -1.624 -17.090 1.00 0.00 H new ATOM 0 HH12 ARG A 39 1.113 -2.847 -18.164 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -0.620 -1.712 -21.016 1.00 0.00 H new ATOM 0 HH22 ARG A 39 0.523 -2.897 -20.377 1.00 0.00 H new ATOM 594 N ARG A 40 -4.694 1.151 -15.577 1.00 0.00 N ATOM 595 CA ARG A 40 -6.131 0.909 -15.563 1.00 0.00 C ATOM 596 C ARG A 40 -6.431 -0.586 -15.602 1.00 0.00 C ATOM 597 O ARG A 40 -5.908 -1.313 -16.445 1.00 0.00 O ATOM 598 CB ARG A 40 -6.798 1.605 -16.751 1.00 0.00 C ATOM 599 CG ARG A 40 -8.317 1.609 -16.680 1.00 0.00 C ATOM 600 CD ARG A 40 -8.928 2.320 -17.877 1.00 0.00 C ATOM 601 NE ARG A 40 -10.383 2.399 -17.782 1.00 0.00 N ATOM 602 CZ ARG A 40 -11.174 2.668 -18.816 1.00 0.00 C ATOM 603 NH1 ARG A 40 -10.652 2.881 -20.016 1.00 0.00 N ATOM 604 NH2 ARG A 40 -12.489 2.722 -18.650 1.00 0.00 N ATOM 0 H ARG A 40 -4.366 1.696 -16.375 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.534 1.319 -14.637 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.442 2.634 -16.805 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.487 1.112 -17.672 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.683 0.583 -16.639 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.638 2.099 -15.761 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.514 3.326 -17.951 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.652 1.794 -18.791 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.816 2.239 -16.872 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.641 2.839 -20.147 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.261 3.087 -20.808 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.894 2.557 -17.728 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.095 2.928 -19.444 1.00 0.00 H new ATOM 618 N ASN A 41 -7.277 -1.039 -14.682 1.00 0.00 N ATOM 619 CA ASN A 41 -7.647 -2.448 -14.610 1.00 0.00 C ATOM 620 C ASN A 41 -6.439 -3.309 -14.254 1.00 0.00 C ATOM 621 O ASN A 41 -6.139 -4.287 -14.938 1.00 0.00 O ATOM 622 CB ASN A 41 -8.241 -2.909 -15.943 1.00 0.00 C ATOM 623 CG ASN A 41 -9.422 -2.061 -16.373 1.00 0.00 C ATOM 624 OD1 ASN A 41 -10.198 -1.590 -15.541 1.00 0.00 O ATOM 625 ND2 ASN A 41 -9.564 -1.864 -17.678 1.00 0.00 N ATOM 0 H ASN A 41 -7.719 -0.451 -13.976 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.396 -2.562 -13.827 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -7.471 -2.872 -16.713 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -8.556 -3.949 -15.857 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.341 -1.303 -18.028 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -8.896 -2.274 -18.331 1.00 0.00 H new ATOM 632 N GLU A 42 -5.750 -2.938 -13.180 1.00 0.00 N ATOM 633 CA GLU A 42 -4.575 -3.677 -12.734 1.00 0.00 C ATOM 634 C GLU A 42 -4.477 -3.676 -11.211 1.00 0.00 C ATOM 635 O GLU A 42 -4.679 -2.647 -10.567 1.00 0.00 O ATOM 636 CB GLU A 42 -3.305 -3.073 -13.338 1.00 0.00 C ATOM 637 CG GLU A 42 -2.930 -3.667 -14.685 1.00 0.00 C ATOM 638 CD GLU A 42 -2.055 -4.898 -14.557 1.00 0.00 C ATOM 639 OE1 GLU A 42 -0.816 -4.742 -14.511 1.00 0.00 O ATOM 640 OE2 GLU A 42 -2.607 -6.016 -14.503 1.00 0.00 O ATOM 0 H GLU A 42 -5.985 -2.131 -12.603 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.676 -4.708 -13.074 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.442 -1.997 -13.450 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.478 -3.218 -12.643 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.838 -3.927 -15.229 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.408 -2.915 -15.277 1.00 0.00 H new ATOM 647 N GLU A 43 -4.167 -4.837 -10.642 1.00 0.00 N ATOM 648 CA GLU A 43 -4.044 -4.970 -9.195 1.00 0.00 C ATOM 649 C GLU A 43 -2.702 -4.427 -8.711 1.00 0.00 C ATOM 650 O GLU A 43 -1.721 -4.413 -9.455 1.00 0.00 O ATOM 651 CB GLU A 43 -4.193 -6.435 -8.781 1.00 0.00 C ATOM 652 CG GLU A 43 -5.597 -6.982 -8.974 1.00 0.00 C ATOM 653 CD GLU A 43 -5.617 -8.488 -9.155 1.00 0.00 C ATOM 654 OE1 GLU A 43 -5.347 -9.207 -8.171 1.00 0.00 O ATOM 655 OE2 GLU A 43 -5.903 -8.946 -10.281 1.00 0.00 O ATOM 0 H GLU A 43 -3.997 -5.698 -11.161 1.00 0.00 H new ATOM 0 HA GLU A 43 -4.840 -4.387 -8.733 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.494 -7.040 -9.358 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -3.913 -6.538 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -6.208 -6.715 -8.112 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -6.051 -6.509 -9.845 1.00 0.00 H new ATOM 662 N TYR A 44 -2.668 -3.980 -7.461 1.00 0.00 N ATOM 663 CA TYR A 44 -1.449 -3.433 -6.877 1.00 0.00 C ATOM 664 C TYR A 44 -1.395 -3.702 -5.376 1.00 0.00 C ATOM 665 O TYR A 44 -2.335 -3.389 -4.645 1.00 0.00 O ATOM 666 CB TYR A 44 -1.363 -1.929 -7.141 1.00 0.00 C ATOM 667 CG TYR A 44 -1.090 -1.583 -8.588 1.00 0.00 C ATOM 668 CD1 TYR A 44 -2.111 -1.603 -9.531 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.187 -1.237 -9.011 1.00 0.00 C ATOM 670 CE1 TYR A 44 -1.867 -1.288 -10.854 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.439 -0.918 -10.332 1.00 0.00 C ATOM 672 CZ TYR A 44 -0.590 -0.946 -11.249 1.00 0.00 C ATOM 673 OH TYR A 44 -0.342 -0.631 -12.565 1.00 0.00 O ATOM 0 H TYR A 44 -3.471 -3.986 -6.832 1.00 0.00 H new ATOM 0 HA TYR A 44 -0.598 -3.927 -7.346 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -2.298 -1.461 -6.834 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.575 -1.504 -6.520 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.112 -1.869 -9.224 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.996 -1.217 -8.296 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.671 -1.309 -11.575 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.437 -0.648 -10.644 1.00 0.00 H new ATOM 0 HH TYR A 44 0.607 -0.412 -12.676 1.00 0.00 H new ATOM 683 N CYS A 45 -0.289 -4.282 -4.925 1.00 0.00 N ATOM 684 CA CYS A 45 -0.111 -4.594 -3.512 1.00 0.00 C ATOM 685 C CYS A 45 0.224 -3.336 -2.716 1.00 0.00 C ATOM 686 O CYS A 45 1.074 -2.541 -3.119 1.00 0.00 O ATOM 687 CB CYS A 45 0.996 -5.635 -3.333 1.00 0.00 C ATOM 688 SG CYS A 45 1.189 -6.222 -1.634 1.00 0.00 S ATOM 0 H CYS A 45 0.498 -4.546 -5.517 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.048 -5.003 -3.135 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.786 -6.488 -3.979 1.00 0.00 H new ATOM 0 HB3 CYS A 45 1.941 -5.206 -3.668 1.00 0.00 H new ATOM 0 HG CYS A 45 2.146 -7.100 -1.584 1.00 0.00 H new ATOM 694 N LEU A 46 -0.451 -3.162 -1.585 1.00 0.00 N ATOM 695 CA LEU A 46 -0.227 -1.999 -0.732 1.00 0.00 C ATOM 696 C LEU A 46 0.997 -2.203 0.155 1.00 0.00 C ATOM 697 O LEU A 46 0.960 -2.972 1.116 1.00 0.00 O ATOM 698 CB LEU A 46 -1.460 -1.732 0.133 1.00 0.00 C ATOM 699 CG LEU A 46 -1.405 -0.481 1.011 1.00 0.00 C ATOM 700 CD1 LEU A 46 -1.541 0.773 0.161 1.00 0.00 C ATOM 701 CD2 LEU A 46 -2.493 -0.527 2.074 1.00 0.00 C ATOM 0 H LEU A 46 -1.157 -3.811 -1.237 1.00 0.00 H new ATOM 0 HA LEU A 46 -0.048 -1.136 -1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.328 -1.655 -0.521 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.622 -2.597 0.777 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.437 -0.454 1.511 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.500 1.653 0.802 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -0.727 0.812 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -2.494 0.753 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -2.439 0.371 2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.470 -0.579 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.351 -1.406 2.702 1.00 0.00 H new ATOM 713 N LEU A 47 2.080 -1.507 -0.172 1.00 0.00 N ATOM 714 CA LEU A 47 3.316 -1.609 0.596 1.00 0.00 C ATOM 715 C LEU A 47 3.145 -1.004 1.986 1.00 0.00 C ATOM 716 O LEU A 47 3.355 -1.675 2.996 1.00 0.00 O ATOM 717 CB LEU A 47 4.458 -0.906 -0.141 1.00 0.00 C ATOM 718 CG LEU A 47 4.776 -1.431 -1.541 1.00 0.00 C ATOM 719 CD1 LEU A 47 5.744 -0.499 -2.253 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.346 -2.839 -1.466 1.00 0.00 C ATOM 0 H LEU A 47 2.127 -0.866 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 47 3.559 -2.666 0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.216 0.154 -0.218 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.359 -0.983 0.468 1.00 0.00 H new ATOM 0 HG LEU A 47 3.850 -1.466 -2.114 1.00 0.00 H new ATOM 0 HD11 LEU A 47 5.959 -0.889 -3.248 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.298 0.492 -2.340 1.00 0.00 H new ATOM 0 HD13 LEU A 47 6.670 -0.431 -1.682 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.566 -3.196 -2.472 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.262 -2.830 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.619 -3.501 -0.997 1.00 0.00 H new ATOM 732 N ASP A 48 2.759 0.266 2.029 1.00 0.00 N ATOM 733 CA ASP A 48 2.555 0.961 3.295 1.00 0.00 C ATOM 734 C ASP A 48 1.605 2.142 3.120 1.00 0.00 C ATOM 735 O ASP A 48 1.682 2.872 2.132 1.00 0.00 O ATOM 736 CB ASP A 48 3.893 1.446 3.856 1.00 0.00 C ATOM 737 CG ASP A 48 3.788 1.890 5.302 1.00 0.00 C ATOM 738 OD1 ASP A 48 2.841 1.453 5.989 1.00 0.00 O ATOM 739 OD2 ASP A 48 4.651 2.676 5.746 1.00 0.00 O ATOM 0 H ASP A 48 2.581 0.836 1.202 1.00 0.00 H new ATOM 0 HA ASP A 48 2.107 0.259 3.999 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.628 0.645 3.777 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.259 2.275 3.250 1.00 0.00 H new ATOM 744 N SER A 49 0.710 2.322 4.086 1.00 0.00 N ATOM 745 CA SER A 49 -0.259 3.411 4.036 1.00 0.00 C ATOM 746 C SER A 49 0.166 4.558 4.948 1.00 0.00 C ATOM 747 O SER A 49 -0.667 5.191 5.597 1.00 0.00 O ATOM 748 CB SER A 49 -1.645 2.907 4.442 1.00 0.00 C ATOM 749 OG SER A 49 -1.627 2.363 5.751 1.00 0.00 O ATOM 0 H SER A 49 0.636 1.728 4.912 1.00 0.00 H new ATOM 0 HA SER A 49 -0.301 3.781 3.012 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.362 3.727 4.395 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.981 2.149 3.734 1.00 0.00 H new ATOM 0 HG SER A 49 -2.525 2.050 5.987 1.00 0.00 H new ATOM 755 N SER A 50 1.468 4.819 4.993 1.00 0.00 N ATOM 756 CA SER A 50 2.006 5.886 5.828 1.00 0.00 C ATOM 757 C SER A 50 1.172 7.157 5.689 1.00 0.00 C ATOM 758 O SER A 50 0.794 7.774 6.684 1.00 0.00 O ATOM 759 CB SER A 50 3.461 6.173 5.452 1.00 0.00 C ATOM 760 OG SER A 50 3.604 6.330 4.051 1.00 0.00 O ATOM 0 H SER A 50 2.170 4.306 4.461 1.00 0.00 H new ATOM 0 HA SER A 50 1.965 5.557 6.866 1.00 0.00 H new ATOM 0 HB2 SER A 50 3.799 7.077 5.959 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.097 5.357 5.796 1.00 0.00 H new ATOM 0 HG SER A 50 4.542 6.514 3.837 1.00 0.00 H new ATOM 766 N GLU A 51 0.891 7.539 4.448 1.00 0.00 N ATOM 767 CA GLU A 51 0.103 8.737 4.178 1.00 0.00 C ATOM 768 C GLU A 51 -1.324 8.371 3.780 1.00 0.00 C ATOM 769 O GLU A 51 -1.689 7.195 3.750 1.00 0.00 O ATOM 770 CB GLU A 51 0.757 9.566 3.071 1.00 0.00 C ATOM 771 CG GLU A 51 1.751 10.593 3.585 1.00 0.00 C ATOM 772 CD GLU A 51 1.077 11.761 4.279 1.00 0.00 C ATOM 773 OE1 GLU A 51 0.460 11.542 5.342 1.00 0.00 O ATOM 774 OE2 GLU A 51 1.167 12.892 3.759 1.00 0.00 O ATOM 0 H GLU A 51 1.196 7.038 3.614 1.00 0.00 H new ATOM 0 HA GLU A 51 0.066 9.330 5.092 1.00 0.00 H new ATOM 0 HB2 GLU A 51 1.266 8.895 2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -0.021 10.078 2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.440 10.111 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.347 10.965 2.752 1.00 0.00 H new ATOM 781 N ILE A 52 -2.126 9.386 3.476 1.00 0.00 N ATOM 782 CA ILE A 52 -3.512 9.171 3.079 1.00 0.00 C ATOM 783 C ILE A 52 -3.719 9.500 1.605 1.00 0.00 C ATOM 784 O ILE A 52 -4.293 8.708 0.856 1.00 0.00 O ATOM 785 CB ILE A 52 -4.477 10.024 3.924 1.00 0.00 C ATOM 786 CG1 ILE A 52 -4.345 9.666 5.406 1.00 0.00 C ATOM 787 CG2 ILE A 52 -5.910 9.826 3.452 1.00 0.00 C ATOM 788 CD1 ILE A 52 -5.136 10.576 6.320 1.00 0.00 C ATOM 0 H ILE A 52 -1.840 10.365 3.497 1.00 0.00 H new ATOM 0 HA ILE A 52 -3.729 8.116 3.247 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.215 11.075 3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -4.677 8.638 5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -3.293 9.706 5.689 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -6.580 10.435 4.059 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.994 10.125 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.184 8.776 3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.996 10.264 7.355 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.789 11.602 6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.194 10.519 6.064 1.00 0.00 H new ATOM 800 N HIS A 53 -3.245 10.671 1.193 1.00 0.00 N ATOM 801 CA HIS A 53 -3.375 11.104 -0.194 1.00 0.00 C ATOM 802 C HIS A 53 -2.457 10.294 -1.104 1.00 0.00 C ATOM 803 O HIS A 53 -2.862 9.859 -2.182 1.00 0.00 O ATOM 804 CB HIS A 53 -3.053 12.593 -0.318 1.00 0.00 C ATOM 805 CG HIS A 53 -3.636 13.426 0.781 1.00 0.00 C ATOM 806 ND1 HIS A 53 -4.950 13.843 0.794 1.00 0.00 N ATOM 807 CD2 HIS A 53 -3.076 13.919 1.911 1.00 0.00 C ATOM 808 CE1 HIS A 53 -5.173 14.557 1.882 1.00 0.00 C ATOM 809 NE2 HIS A 53 -4.052 14.618 2.578 1.00 0.00 N ATOM 0 H HIS A 53 -2.767 11.337 1.800 1.00 0.00 H new ATOM 0 HA HIS A 53 -4.406 10.937 -0.506 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.971 12.723 -0.326 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -3.425 12.958 -1.275 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -2.052 13.787 2.229 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -6.112 15.014 2.156 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -3.931 15.105 3.466 1.00 0.00 H new ATOM 818 N TRP A 54 -1.219 10.098 -0.664 1.00 0.00 N ATOM 819 CA TRP A 54 -0.243 9.342 -1.441 1.00 0.00 C ATOM 820 C TRP A 54 0.113 8.035 -0.741 1.00 0.00 C ATOM 821 O TRP A 54 0.635 8.039 0.374 1.00 0.00 O ATOM 822 CB TRP A 54 1.019 10.177 -1.663 1.00 0.00 C ATOM 823 CG TRP A 54 0.738 11.546 -2.203 1.00 0.00 C ATOM 824 CD1 TRP A 54 0.824 12.728 -1.525 1.00 0.00 C ATOM 825 CD2 TRP A 54 0.324 11.874 -3.534 1.00 0.00 C ATOM 826 NE1 TRP A 54 0.488 13.771 -2.354 1.00 0.00 N ATOM 827 CE2 TRP A 54 0.178 13.274 -3.592 1.00 0.00 C ATOM 828 CE3 TRP A 54 0.064 11.122 -4.683 1.00 0.00 C ATOM 829 CZ2 TRP A 54 -0.217 13.933 -4.753 1.00 0.00 C ATOM 830 CZ3 TRP A 54 -0.329 11.778 -5.834 1.00 0.00 C ATOM 831 CH2 TRP A 54 -0.465 13.172 -5.863 1.00 0.00 C ATOM 0 H TRP A 54 -0.867 10.452 0.226 1.00 0.00 H new ATOM 0 HA TRP A 54 -0.688 9.106 -2.408 1.00 0.00 H new ATOM 0 HB2 TRP A 54 1.555 10.270 -0.719 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.678 9.650 -2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 54 1.114 12.828 -0.489 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.472 14.756 -2.090 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.168 10.047 -4.672 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.324 15.007 -4.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.535 11.206 -6.727 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.771 13.655 -6.779 1.00 0.00 H new ATOM 842 N TRP A 55 -0.170 6.919 -1.403 1.00 0.00 N ATOM 843 CA TRP A 55 0.122 5.604 -0.843 1.00 0.00 C ATOM 844 C TRP A 55 1.289 4.949 -1.572 1.00 0.00 C ATOM 845 O TRP A 55 1.602 5.306 -2.708 1.00 0.00 O ATOM 846 CB TRP A 55 -1.114 4.707 -0.924 1.00 0.00 C ATOM 847 CG TRP A 55 -2.062 4.896 0.222 1.00 0.00 C ATOM 848 CD1 TRP A 55 -1.907 5.743 1.282 1.00 0.00 C ATOM 849 CD2 TRP A 55 -3.309 4.223 0.422 1.00 0.00 C ATOM 850 NE1 TRP A 55 -2.983 5.636 2.130 1.00 0.00 N ATOM 851 CE2 TRP A 55 -3.858 4.711 1.624 1.00 0.00 C ATOM 852 CE3 TRP A 55 -4.017 3.256 -0.297 1.00 0.00 C ATOM 853 CZ2 TRP A 55 -5.079 4.264 2.121 1.00 0.00 C ATOM 854 CZ3 TRP A 55 -5.229 2.813 0.197 1.00 0.00 C ATOM 855 CH2 TRP A 55 -5.751 3.317 1.396 1.00 0.00 C ATOM 0 H TRP A 55 -0.601 6.898 -2.327 1.00 0.00 H new ATOM 0 HA TRP A 55 0.399 5.735 0.203 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -1.639 4.908 -1.858 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -0.796 3.665 -0.955 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -1.063 6.400 1.432 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -3.110 6.160 2.996 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -3.624 2.862 -1.222 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.482 4.650 3.046 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -5.784 2.065 -0.350 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -6.702 2.951 1.755 1.00 0.00 H new ATOM 866 N ARG A 56 1.930 3.989 -0.913 1.00 0.00 N ATOM 867 CA ARG A 56 3.064 3.285 -1.499 1.00 0.00 C ATOM 868 C ARG A 56 2.654 1.894 -1.974 1.00 0.00 C ATOM 869 O ARG A 56 2.282 1.037 -1.173 1.00 0.00 O ATOM 870 CB ARG A 56 4.203 3.174 -0.484 1.00 0.00 C ATOM 871 CG ARG A 56 5.565 2.945 -1.119 1.00 0.00 C ATOM 872 CD ARG A 56 6.682 3.039 -0.091 1.00 0.00 C ATOM 873 NE ARG A 56 7.984 3.251 -0.717 1.00 0.00 N ATOM 874 CZ ARG A 56 9.064 3.646 -0.051 1.00 0.00 C ATOM 875 NH1 ARG A 56 8.996 3.872 1.254 1.00 0.00 N ATOM 876 NH2 ARG A 56 10.214 3.816 -0.691 1.00 0.00 N ATOM 0 H ARG A 56 1.683 3.681 0.027 1.00 0.00 H new ATOM 0 HA ARG A 56 3.409 3.857 -2.360 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.238 4.086 0.111 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.989 2.354 0.202 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.586 1.963 -1.592 1.00 0.00 H new ATOM 0 HG3 ARG A 56 5.730 3.682 -1.905 1.00 0.00 H new ATOM 0 HD2 ARG A 56 6.473 3.858 0.598 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.709 2.124 0.500 1.00 0.00 H new ATOM 0 HE ARG A 56 8.069 3.087 -1.720 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.113 3.743 1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 56 9.826 4.175 1.763 1.00 0.00 H new ATOM 0 HH21 ARG A 56 10.269 3.643 -1.695 1.00 0.00 H new ATOM 0 HH22 ARG A 56 11.043 4.119 -0.179 1.00 0.00 H new ATOM 890 N VAL A 57 2.724 1.677 -3.284 1.00 0.00 N ATOM 891 CA VAL A 57 2.361 0.391 -3.866 1.00 0.00 C ATOM 892 C VAL A 57 3.443 -0.106 -4.819 1.00 0.00 C ATOM 893 O VAL A 57 4.382 0.621 -5.141 1.00 0.00 O ATOM 894 CB VAL A 57 1.024 0.476 -4.625 1.00 0.00 C ATOM 895 CG1 VAL A 57 -0.046 1.115 -3.753 1.00 0.00 C ATOM 896 CG2 VAL A 57 1.197 1.249 -5.924 1.00 0.00 C ATOM 0 H VAL A 57 3.029 2.376 -3.962 1.00 0.00 H new ATOM 0 HA VAL A 57 2.257 -0.312 -3.040 1.00 0.00 H new ATOM 0 HB VAL A 57 0.701 -0.536 -4.871 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -0.984 1.166 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -0.188 0.516 -2.854 1.00 0.00 H new ATOM 0 HG13 VAL A 57 0.266 2.121 -3.473 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.242 1.299 -6.447 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.543 2.259 -5.703 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.930 0.744 -6.553 1.00 0.00 H new ATOM 906 N GLN A 58 3.303 -1.350 -5.266 1.00 0.00 N ATOM 907 CA GLN A 58 4.270 -1.945 -6.182 1.00 0.00 C ATOM 908 C GLN A 58 3.565 -2.735 -7.280 1.00 0.00 C ATOM 909 O GLN A 58 2.623 -3.482 -7.013 1.00 0.00 O ATOM 910 CB GLN A 58 5.233 -2.856 -5.420 1.00 0.00 C ATOM 911 CG GLN A 58 6.261 -3.535 -6.310 1.00 0.00 C ATOM 912 CD GLN A 58 7.486 -3.994 -5.543 1.00 0.00 C ATOM 913 OE1 GLN A 58 7.458 -5.020 -4.864 1.00 0.00 O ATOM 914 NE2 GLN A 58 8.569 -3.233 -5.647 1.00 0.00 N ATOM 0 H GLN A 58 2.531 -1.965 -5.009 1.00 0.00 H new ATOM 0 HA GLN A 58 4.836 -1.138 -6.647 1.00 0.00 H new ATOM 0 HB2 GLN A 58 5.752 -2.269 -4.662 1.00 0.00 H new ATOM 0 HB3 GLN A 58 4.659 -3.619 -4.895 1.00 0.00 H new ATOM 0 HG2 GLN A 58 5.801 -4.393 -6.800 1.00 0.00 H new ATOM 0 HG3 GLN A 58 6.567 -2.845 -7.097 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.547 -2.390 -6.222 1.00 0.00 H new ATOM 0 HE22 GLN A 58 9.423 -3.491 -5.152 1.00 0.00 H new ATOM 923 N ASP A 59 4.026 -2.564 -8.514 1.00 0.00 N ATOM 924 CA ASP A 59 3.440 -3.262 -9.652 1.00 0.00 C ATOM 925 C ASP A 59 3.886 -4.720 -9.684 1.00 0.00 C ATOM 926 O ASP A 59 4.818 -5.110 -8.981 1.00 0.00 O ATOM 927 CB ASP A 59 3.829 -2.568 -10.958 1.00 0.00 C ATOM 928 CG ASP A 59 3.469 -3.390 -12.180 1.00 0.00 C ATOM 929 OD1 ASP A 59 2.274 -3.712 -12.347 1.00 0.00 O ATOM 930 OD2 ASP A 59 4.382 -3.712 -12.969 1.00 0.00 O ATOM 0 H ASP A 59 4.804 -1.948 -8.752 1.00 0.00 H new ATOM 0 HA ASP A 59 2.356 -3.235 -9.544 1.00 0.00 H new ATOM 0 HB2 ASP A 59 3.330 -1.601 -11.015 1.00 0.00 H new ATOM 0 HB3 ASP A 59 4.902 -2.374 -10.957 1.00 0.00 H new ATOM 935 N ARG A 60 3.213 -5.522 -10.503 1.00 0.00 N ATOM 936 CA ARG A 60 3.538 -6.938 -10.625 1.00 0.00 C ATOM 937 C ARG A 60 4.942 -7.126 -11.192 1.00 0.00 C ATOM 938 O ARG A 60 5.594 -8.138 -10.938 1.00 0.00 O ATOM 939 CB ARG A 60 2.517 -7.643 -11.519 1.00 0.00 C ATOM 940 CG ARG A 60 2.487 -7.114 -12.944 1.00 0.00 C ATOM 941 CD ARG A 60 2.084 -8.198 -13.932 1.00 0.00 C ATOM 942 NE ARG A 60 2.541 -7.901 -15.286 1.00 0.00 N ATOM 943 CZ ARG A 60 2.287 -8.677 -16.334 1.00 0.00 C ATOM 944 NH1 ARG A 60 1.583 -9.790 -16.184 1.00 0.00 N ATOM 945 NH2 ARG A 60 2.738 -8.340 -17.536 1.00 0.00 N ATOM 0 H ARG A 60 2.439 -5.215 -11.092 1.00 0.00 H new ATOM 0 HA ARG A 60 3.504 -7.380 -9.629 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.741 -8.709 -11.541 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.526 -7.535 -11.079 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.786 -6.282 -13.010 1.00 0.00 H new ATOM 0 HG3 ARG A 60 3.470 -6.725 -13.210 1.00 0.00 H new ATOM 0 HD2 ARG A 60 2.499 -9.154 -13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 60 0.999 -8.305 -13.931 1.00 0.00 H new ATOM 0 HE ARG A 60 3.085 -7.051 -15.436 1.00 0.00 H new ATOM 0 HH11 ARG A 60 1.235 -10.053 -15.262 1.00 0.00 H new ATOM 0 HH12 ARG A 60 1.390 -10.384 -16.991 1.00 0.00 H new ATOM 0 HH21 ARG A 60 3.280 -7.484 -17.656 1.00 0.00 H new ATOM 0 HH22 ARG A 60 2.542 -8.937 -18.340 1.00 0.00 H new ATOM 959 N ASN A 61 5.401 -6.144 -11.961 1.00 0.00 N ATOM 960 CA ASN A 61 6.727 -6.202 -12.565 1.00 0.00 C ATOM 961 C ASN A 61 7.809 -5.910 -11.530 1.00 0.00 C ATOM 962 O ASN A 61 8.769 -6.666 -11.390 1.00 0.00 O ATOM 963 CB ASN A 61 6.828 -5.205 -13.721 1.00 0.00 C ATOM 964 CG ASN A 61 5.925 -5.572 -14.882 1.00 0.00 C ATOM 965 OD1 ASN A 61 4.726 -5.293 -14.863 1.00 0.00 O ATOM 966 ND2 ASN A 61 6.498 -6.202 -15.901 1.00 0.00 N ATOM 0 H ASN A 61 4.874 -5.299 -12.181 1.00 0.00 H new ATOM 0 HA ASN A 61 6.880 -7.210 -12.950 1.00 0.00 H new ATOM 0 HB2 ASN A 61 6.567 -4.209 -13.362 1.00 0.00 H new ATOM 0 HB3 ASN A 61 7.860 -5.159 -14.068 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.941 -6.475 -16.710 1.00 0.00 H new ATOM 0 HD22 ASN A 61 7.496 -6.413 -15.874 1.00 0.00 H new ATOM 973 N GLY A 62 7.646 -4.807 -10.806 1.00 0.00 N ATOM 974 CA GLY A 62 8.616 -4.434 -9.793 1.00 0.00 C ATOM 975 C GLY A 62 8.844 -2.937 -9.732 1.00 0.00 C ATOM 976 O GLY A 62 9.955 -2.481 -9.457 1.00 0.00 O ATOM 0 H GLY A 62 6.859 -4.165 -10.903 1.00 0.00 H new ATOM 0 HA2 GLY A 62 8.274 -4.786 -8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.562 -4.934 -9.999 1.00 0.00 H new ATOM 980 N HIS A 63 7.790 -2.168 -9.989 1.00 0.00 N ATOM 981 CA HIS A 63 7.881 -0.713 -9.963 1.00 0.00 C ATOM 982 C HIS A 63 6.945 -0.129 -8.908 1.00 0.00 C ATOM 983 O HIS A 63 5.745 -0.402 -8.912 1.00 0.00 O ATOM 984 CB HIS A 63 7.543 -0.135 -11.337 1.00 0.00 C ATOM 985 CG HIS A 63 8.071 -0.951 -12.476 1.00 0.00 C ATOM 986 ND1 HIS A 63 7.477 -0.980 -13.721 1.00 0.00 N ATOM 987 CD2 HIS A 63 9.146 -1.770 -12.555 1.00 0.00 C ATOM 988 CE1 HIS A 63 8.163 -1.782 -14.515 1.00 0.00 C ATOM 989 NE2 HIS A 63 9.181 -2.275 -13.832 1.00 0.00 N ATOM 0 H HIS A 63 6.864 -2.529 -10.217 1.00 0.00 H new ATOM 0 HA HIS A 63 8.905 -0.442 -9.705 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.460 -0.053 -11.431 1.00 0.00 H new ATOM 0 HB3 HIS A 63 7.947 0.875 -11.407 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.846 -1.986 -11.761 1.00 0.00 H new ATOM 0 HE1 HIS A 63 7.931 -1.998 -15.547 1.00 0.00 H new ATOM 0 HE2 HIS A 63 9.879 -2.925 -14.194 1.00 0.00 H new ATOM 998 N GLU A 64 7.503 0.674 -8.008 1.00 0.00 N ATOM 999 CA GLU A 64 6.717 1.294 -6.947 1.00 0.00 C ATOM 1000 C GLU A 64 6.895 2.810 -6.954 1.00 0.00 C ATOM 1001 O GLU A 64 7.645 3.354 -7.763 1.00 0.00 O ATOM 1002 CB GLU A 64 7.122 0.728 -5.585 1.00 0.00 C ATOM 1003 CG GLU A 64 8.618 0.501 -5.440 1.00 0.00 C ATOM 1004 CD GLU A 64 9.382 1.789 -5.201 1.00 0.00 C ATOM 1005 OE1 GLU A 64 8.997 2.547 -4.286 1.00 0.00 O ATOM 1006 OE2 GLU A 64 10.366 2.038 -5.928 1.00 0.00 O ATOM 0 H GLU A 64 8.495 0.911 -7.992 1.00 0.00 H new ATOM 0 HA GLU A 64 5.666 1.068 -7.128 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.789 1.411 -4.804 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.603 -0.217 -5.425 1.00 0.00 H new ATOM 0 HG2 GLU A 64 8.799 -0.184 -4.612 1.00 0.00 H new ATOM 0 HG3 GLU A 64 8.998 0.019 -6.341 1.00 0.00 H new ATOM 1013 N GLY A 65 6.198 3.485 -6.045 1.00 0.00 N ATOM 1014 CA GLY A 65 6.291 4.931 -5.963 1.00 0.00 C ATOM 1015 C GLY A 65 5.152 5.541 -5.171 1.00 0.00 C ATOM 1016 O GLY A 65 4.693 4.964 -4.185 1.00 0.00 O ATOM 0 H GLY A 65 5.571 3.056 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.239 5.205 -5.500 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.295 5.349 -6.969 1.00 0.00 H new ATOM 1020 N TYR A 66 4.695 6.712 -5.601 1.00 0.00 N ATOM 1021 CA TYR A 66 3.605 7.404 -4.923 1.00 0.00 C ATOM 1022 C TYR A 66 2.430 7.628 -5.870 1.00 0.00 C ATOM 1023 O TYR A 66 2.591 8.181 -6.958 1.00 0.00 O ATOM 1024 CB TYR A 66 4.091 8.744 -4.368 1.00 0.00 C ATOM 1025 CG TYR A 66 5.021 8.607 -3.184 1.00 0.00 C ATOM 1026 CD1 TYR A 66 4.732 7.730 -2.145 1.00 0.00 C ATOM 1027 CD2 TYR A 66 6.189 9.355 -3.103 1.00 0.00 C ATOM 1028 CE1 TYR A 66 5.578 7.603 -1.061 1.00 0.00 C ATOM 1029 CE2 TYR A 66 7.042 9.233 -2.023 1.00 0.00 C ATOM 1030 CZ TYR A 66 6.733 8.356 -1.005 1.00 0.00 C ATOM 1031 OH TYR A 66 7.579 8.232 0.073 1.00 0.00 O ATOM 0 H TYR A 66 5.063 7.202 -6.416 1.00 0.00 H new ATOM 0 HA TYR A 66 3.268 6.778 -4.097 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.602 9.292 -5.160 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.228 9.341 -4.074 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.830 7.138 -2.186 1.00 0.00 H new ATOM 0 HD2 TYR A 66 6.434 10.044 -3.898 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.337 6.918 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 66 7.946 9.822 -1.976 1.00 0.00 H new ATOM 0 HH TYR A 66 8.346 8.830 -0.043 1.00 0.00 H new ATOM 1041 N VAL A 67 1.247 7.196 -5.446 1.00 0.00 N ATOM 1042 CA VAL A 67 0.043 7.351 -6.254 1.00 0.00 C ATOM 1043 C VAL A 67 -1.137 7.804 -5.400 1.00 0.00 C ATOM 1044 O VAL A 67 -1.200 7.547 -4.198 1.00 0.00 O ATOM 1045 CB VAL A 67 -0.328 6.037 -6.966 1.00 0.00 C ATOM 1046 CG1 VAL A 67 0.599 5.790 -8.146 1.00 0.00 C ATOM 1047 CG2 VAL A 67 -0.284 4.871 -5.990 1.00 0.00 C ATOM 0 H VAL A 67 1.096 6.736 -4.548 1.00 0.00 H new ATOM 0 HA VAL A 67 0.260 8.113 -7.003 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.346 6.125 -7.346 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.322 4.857 -8.637 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.512 6.613 -8.855 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.628 5.722 -7.792 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -0.549 3.951 -6.510 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.721 4.779 -5.578 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -0.993 5.047 -5.181 1.00 0.00 H new ATOM 1057 N PRO A 68 -2.096 8.494 -6.035 1.00 0.00 N ATOM 1058 CA PRO A 68 -3.293 8.997 -5.354 1.00 0.00 C ATOM 1059 C PRO A 68 -4.238 7.875 -4.939 1.00 0.00 C ATOM 1060 O PRO A 68 -4.858 7.228 -5.784 1.00 0.00 O ATOM 1061 CB PRO A 68 -3.952 9.890 -6.408 1.00 0.00 C ATOM 1062 CG PRO A 68 -3.478 9.349 -7.712 1.00 0.00 C ATOM 1063 CD PRO A 68 -2.086 8.836 -7.467 1.00 0.00 C ATOM 0 HA PRO A 68 -3.047 9.518 -4.429 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -5.039 9.852 -6.335 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -3.660 10.933 -6.282 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -4.132 8.551 -8.064 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -3.479 10.123 -8.479 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -1.863 7.967 -8.086 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -1.334 9.591 -7.695 1.00 0.00 H new ATOM 1071 N SER A 69 -4.344 7.648 -3.634 1.00 0.00 N ATOM 1072 CA SER A 69 -5.212 6.601 -3.108 1.00 0.00 C ATOM 1073 C SER A 69 -6.563 6.607 -3.818 1.00 0.00 C ATOM 1074 O SER A 69 -7.145 5.554 -4.077 1.00 0.00 O ATOM 1075 CB SER A 69 -5.414 6.785 -1.602 1.00 0.00 C ATOM 1076 OG SER A 69 -6.175 7.949 -1.328 1.00 0.00 O ATOM 0 H SER A 69 -3.840 8.175 -2.921 1.00 0.00 H new ATOM 0 HA SER A 69 -4.730 5.640 -3.288 1.00 0.00 H new ATOM 0 HB2 SER A 69 -5.919 5.911 -1.190 1.00 0.00 H new ATOM 0 HB3 SER A 69 -4.445 6.855 -1.108 1.00 0.00 H new ATOM 0 HG SER A 69 -5.762 8.443 -0.589 1.00 0.00 H new ATOM 1082 N SER A 70 -7.055 7.802 -4.129 1.00 0.00 N ATOM 1083 CA SER A 70 -8.338 7.947 -4.806 1.00 0.00 C ATOM 1084 C SER A 70 -8.484 6.916 -5.921 1.00 0.00 C ATOM 1085 O SER A 70 -9.545 6.313 -6.089 1.00 0.00 O ATOM 1086 CB SER A 70 -8.480 9.358 -5.380 1.00 0.00 C ATOM 1087 OG SER A 70 -8.506 10.328 -4.347 1.00 0.00 O ATOM 0 H SER A 70 -6.585 8.683 -3.923 1.00 0.00 H new ATOM 0 HA SER A 70 -9.127 7.779 -4.073 1.00 0.00 H new ATOM 0 HB2 SER A 70 -7.650 9.564 -6.056 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.395 9.424 -5.969 1.00 0.00 H new ATOM 0 HG SER A 70 -8.596 11.222 -4.739 1.00 0.00 H new ATOM 1093 N TYR A 71 -7.412 6.718 -6.679 1.00 0.00 N ATOM 1094 CA TYR A 71 -7.420 5.762 -7.780 1.00 0.00 C ATOM 1095 C TYR A 71 -7.433 4.329 -7.256 1.00 0.00 C ATOM 1096 O TYR A 71 -8.091 3.455 -7.822 1.00 0.00 O ATOM 1097 CB TYR A 71 -6.201 5.977 -8.679 1.00 0.00 C ATOM 1098 CG TYR A 71 -6.316 7.191 -9.574 1.00 0.00 C ATOM 1099 CD1 TYR A 71 -6.665 8.431 -9.053 1.00 0.00 C ATOM 1100 CD2 TYR A 71 -6.076 7.097 -10.939 1.00 0.00 C ATOM 1101 CE1 TYR A 71 -6.771 9.542 -9.867 1.00 0.00 C ATOM 1102 CE2 TYR A 71 -6.179 8.203 -11.760 1.00 0.00 C ATOM 1103 CZ TYR A 71 -6.527 9.424 -11.219 1.00 0.00 C ATOM 1104 OH TYR A 71 -6.631 10.528 -12.033 1.00 0.00 O ATOM 0 H TYR A 71 -6.526 7.207 -6.551 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.326 5.925 -8.363 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -5.313 6.079 -8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -6.056 5.092 -9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -6.856 8.528 -7.995 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -5.804 6.143 -11.366 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -7.044 10.499 -9.446 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -5.988 8.113 -12.819 1.00 0.00 H new ATOM 0 HH TYR A 71 -6.426 10.274 -12.957 1.00 0.00 H new ATOM 1114 N LEU A 72 -6.702 4.095 -6.172 1.00 0.00 N ATOM 1115 CA LEU A 72 -6.628 2.769 -5.570 1.00 0.00 C ATOM 1116 C LEU A 72 -7.948 2.402 -4.899 1.00 0.00 C ATOM 1117 O LEU A 72 -8.524 3.200 -4.160 1.00 0.00 O ATOM 1118 CB LEU A 72 -5.491 2.713 -4.549 1.00 0.00 C ATOM 1119 CG LEU A 72 -4.075 2.840 -5.113 1.00 0.00 C ATOM 1120 CD1 LEU A 72 -3.047 2.778 -3.995 1.00 0.00 C ATOM 1121 CD2 LEU A 72 -3.812 1.750 -6.143 1.00 0.00 C ATOM 0 H LEU A 72 -6.152 4.807 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 72 -6.431 2.047 -6.363 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -5.643 3.510 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.562 1.769 -4.008 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.986 3.808 -5.606 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -2.046 2.870 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -3.222 3.594 -3.294 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.135 1.825 -3.472 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -2.800 1.855 -6.534 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.920 0.772 -5.674 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.528 1.841 -6.960 1.00 0.00 H new ATOM 1133 N VAL A 73 -8.421 1.187 -5.159 1.00 0.00 N ATOM 1134 CA VAL A 73 -9.671 0.713 -4.578 1.00 0.00 C ATOM 1135 C VAL A 73 -9.477 -0.626 -3.875 1.00 0.00 C ATOM 1136 O VAL A 73 -8.869 -1.544 -4.425 1.00 0.00 O ATOM 1137 CB VAL A 73 -10.767 0.563 -5.649 1.00 0.00 C ATOM 1138 CG1 VAL A 73 -10.708 1.717 -6.638 1.00 0.00 C ATOM 1139 CG2 VAL A 73 -10.633 -0.772 -6.366 1.00 0.00 C ATOM 0 H VAL A 73 -7.957 0.513 -5.768 1.00 0.00 H new ATOM 0 HA VAL A 73 -9.985 1.461 -3.850 1.00 0.00 H new ATOM 0 HB VAL A 73 -11.739 0.588 -5.156 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -11.490 1.594 -7.388 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -10.858 2.658 -6.109 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -9.734 1.727 -7.128 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -11.416 -0.861 -7.119 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.657 -0.830 -6.848 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.730 -1.584 -5.645 1.00 0.00 H new ATOM 1149 N GLU A 74 -9.997 -0.730 -2.656 1.00 0.00 N ATOM 1150 CA GLU A 74 -9.880 -1.958 -1.878 1.00 0.00 C ATOM 1151 C GLU A 74 -10.631 -3.103 -2.553 1.00 0.00 C ATOM 1152 O GLU A 74 -11.861 -3.144 -2.546 1.00 0.00 O ATOM 1153 CB GLU A 74 -10.420 -1.744 -0.462 1.00 0.00 C ATOM 1154 CG GLU A 74 -9.835 -2.700 0.563 1.00 0.00 C ATOM 1155 CD GLU A 74 -10.792 -2.991 1.702 1.00 0.00 C ATOM 1156 OE1 GLU A 74 -10.758 -2.251 2.708 1.00 0.00 O ATOM 1157 OE2 GLU A 74 -11.574 -3.958 1.589 1.00 0.00 O ATOM 0 H GLU A 74 -10.503 0.021 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.824 -2.223 -1.820 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.210 -0.720 -0.153 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -11.504 -1.857 -0.475 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -9.567 -3.635 0.071 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.915 -2.277 0.966 1.00 0.00 H new ATOM 1164 N LYS A 75 -9.880 -4.032 -3.135 1.00 0.00 N ATOM 1165 CA LYS A 75 -10.471 -5.179 -3.814 1.00 0.00 C ATOM 1166 C LYS A 75 -11.412 -5.937 -2.883 1.00 0.00 C ATOM 1167 O LYS A 75 -10.985 -6.489 -1.869 1.00 0.00 O ATOM 1168 CB LYS A 75 -9.375 -6.117 -4.323 1.00 0.00 C ATOM 1169 CG LYS A 75 -9.893 -7.229 -5.219 1.00 0.00 C ATOM 1170 CD LYS A 75 -8.755 -8.024 -5.836 1.00 0.00 C ATOM 1171 CE LYS A 75 -9.224 -9.390 -6.313 1.00 0.00 C ATOM 1172 NZ LYS A 75 -8.081 -10.276 -6.668 1.00 0.00 N ATOM 0 H LYS A 75 -8.860 -4.013 -3.150 1.00 0.00 H new ATOM 0 HA LYS A 75 -11.047 -4.810 -4.662 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.636 -5.534 -4.872 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -8.862 -6.559 -3.469 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.532 -7.896 -4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.511 -6.803 -6.010 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.335 -7.469 -6.675 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.957 -8.147 -5.104 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -9.821 -9.862 -5.532 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.873 -9.269 -7.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -8.407 -11.021 -7.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -7.338 -9.715 -7.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.698 -10.712 -5.805 1.00 0.00 H new