USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 612 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 39 LYS NZ :NH3+ 158:sc= -0.0151 (180deg=-0.668) USER MOD Single : A 42 GLN : amide:sc= -0.0291 K(o=-0.029,f=-1) USER MOD Single : A 45 SER OG : rot 53:sc=0.000892 USER MOD Single : A 66 THR OG1 : rot -40:sc= 0.417 USER MOD Single : A 67 HIS : no HD1:sc= -0.689 X(o=-0.69,f=-0.35) USER MOD Single : A 74 SER OG : rot 141:sc= -1.65! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -123:sc= -1.1 (180deg=-4.15!) USER MOD Single : A 81 SER OG : rot 170:sc= 0.202 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 HIS : no HD1:sc= -0.198 X(o=-0.2,f=-0.56) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -3.15! C(o=-4.9!,f=-3.2!) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.685 X(o=-0.69,f=-0.83) USER MOD Single : A 107 GLN : amide:sc= -0.274 X(o=-0.27,f=-0.18) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 113 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.23) USER MOD Single : A 117 ASN : amide:sc= -0.028 K(o=-0.028,f=-1.1) USER MOD Single : A 119 GLN : amide:sc=-0.00306 X(o=-0.0031,f=-0.16) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.388 6.429 -5.612 1.00 0.00 N ATOM 302 CA VAL A 32 -1.989 6.048 -5.524 1.00 0.00 C ATOM 303 C VAL A 32 -1.888 4.604 -5.028 1.00 0.00 C ATOM 304 O VAL A 32 -1.501 3.711 -5.781 1.00 0.00 O ATOM 305 CB VAL A 32 -1.231 7.038 -4.638 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.244 6.648 -4.517 1.00 0.00 C ATOM 307 CG2 VAL A 32 -1.379 8.468 -5.162 1.00 0.00 C ATOM 0 HA VAL A 32 -1.521 6.088 -6.507 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.670 7.000 -3.641 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.760 7.368 -3.882 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.323 5.654 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.702 6.644 -5.506 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.831 9.152 -4.514 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.979 8.528 -6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.433 8.745 -5.172 1.00 0.00 H new ATOM 317 N GLU A 33 -2.243 4.419 -3.765 1.00 0.00 N ATOM 318 CA GLU A 33 -2.198 3.099 -3.160 1.00 0.00 C ATOM 319 C GLU A 33 -2.743 2.051 -4.132 1.00 0.00 C ATOM 320 O GLU A 33 -2.063 1.074 -4.444 1.00 0.00 O ATOM 321 CB GLU A 33 -2.968 3.074 -1.839 1.00 0.00 C ATOM 322 CG GLU A 33 -3.355 1.645 -1.456 1.00 0.00 C ATOM 323 CD GLU A 33 -4.835 1.382 -1.741 1.00 0.00 C ATOM 324 OE1 GLU A 33 -5.412 2.173 -2.519 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.356 0.397 -1.176 1.00 0.00 O ATOM 0 H GLU A 33 -2.563 5.162 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.158 2.857 -2.940 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.357 3.513 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.865 3.687 -1.926 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.742 0.937 -2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.150 1.480 -0.398 1.00 0.00 H new ATOM 332 N ALA A 34 -3.966 2.288 -4.584 1.00 0.00 N ATOM 333 CA ALA A 34 -4.611 1.377 -5.514 1.00 0.00 C ATOM 334 C ALA A 34 -3.584 0.888 -6.537 1.00 0.00 C ATOM 335 O ALA A 34 -3.387 -0.316 -6.698 1.00 0.00 O ATOM 336 CB ALA A 34 -5.802 2.076 -6.172 1.00 0.00 C ATOM 0 H ALA A 34 -4.527 3.099 -4.323 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.996 0.503 -4.989 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.285 1.392 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.516 2.377 -5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.454 2.958 -6.710 1.00 0.00 H new ATOM 342 N ALA A 35 -2.956 1.847 -7.202 1.00 0.00 N ATOM 343 CA ALA A 35 -1.954 1.529 -8.205 1.00 0.00 C ATOM 344 C ALA A 35 -0.840 0.700 -7.563 1.00 0.00 C ATOM 345 O ALA A 35 -0.464 -0.350 -8.082 1.00 0.00 O ATOM 346 CB ALA A 35 -1.430 2.823 -8.832 1.00 0.00 C ATOM 0 H ALA A 35 -3.122 2.844 -7.066 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.390 0.931 -9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.678 2.584 -9.584 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.255 3.360 -9.301 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.983 3.447 -8.058 1.00 0.00 H new ATOM 352 N ILE A 36 -0.344 1.202 -6.442 1.00 0.00 N ATOM 353 CA ILE A 36 0.720 0.521 -5.723 1.00 0.00 C ATOM 354 C ILE A 36 0.356 -0.957 -5.564 1.00 0.00 C ATOM 355 O ILE A 36 1.004 -1.825 -6.146 1.00 0.00 O ATOM 356 CB ILE A 36 1.009 1.229 -4.398 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.425 2.683 -4.632 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.050 0.460 -3.581 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.777 3.372 -3.312 1.00 0.00 C ATOM 0 H ILE A 36 -0.659 2.072 -6.014 1.00 0.00 H new ATOM 0 HA ILE A 36 1.650 0.562 -6.289 1.00 0.00 H new ATOM 0 HB ILE A 36 0.089 1.247 -3.813 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.283 2.716 -5.304 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.615 3.222 -5.123 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.237 0.985 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.677 -0.542 -3.368 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.978 0.389 -4.149 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.069 4.404 -3.507 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.910 3.359 -2.652 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.603 2.845 -2.835 1.00 0.00 H new ATOM 371 N ARG A 37 -0.679 -1.197 -4.773 1.00 0.00 N ATOM 372 CA ARG A 37 -1.136 -2.555 -4.530 1.00 0.00 C ATOM 373 C ARG A 37 -1.434 -3.260 -5.855 1.00 0.00 C ATOM 374 O ARG A 37 -0.863 -4.310 -6.145 1.00 0.00 O ATOM 375 CB ARG A 37 -2.395 -2.565 -3.660 1.00 0.00 C ATOM 376 CG ARG A 37 -2.698 -3.975 -3.151 1.00 0.00 C ATOM 377 CD ARG A 37 -4.187 -4.300 -3.291 1.00 0.00 C ATOM 378 NE ARG A 37 -4.595 -4.202 -4.711 1.00 0.00 N ATOM 379 CZ ARG A 37 -5.856 -4.346 -5.141 1.00 0.00 C ATOM 380 NH1 ARG A 37 -6.839 -4.597 -4.266 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.134 -4.241 -6.448 1.00 0.00 N ATOM 0 H ARG A 37 -1.214 -0.474 -4.292 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.341 -3.084 -4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.263 -1.890 -2.815 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.242 -2.192 -4.236 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.109 -4.702 -3.711 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.400 -4.060 -2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.386 -5.304 -2.915 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.777 -3.611 -2.686 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.872 -4.013 -5.405 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.628 -4.679 -3.271 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.798 -4.706 -4.594 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.386 -4.052 -7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.094 -4.351 -6.776 1.00 0.00 H new ATOM 395 N ALA A 38 -2.326 -2.653 -6.623 1.00 0.00 N ATOM 396 CA ALA A 38 -2.707 -3.209 -7.910 1.00 0.00 C ATOM 397 C ALA A 38 -1.461 -3.751 -8.615 1.00 0.00 C ATOM 398 O ALA A 38 -1.506 -4.813 -9.233 1.00 0.00 O ATOM 399 CB ALA A 38 -3.426 -2.141 -8.736 1.00 0.00 C ATOM 0 H ALA A 38 -2.796 -1.781 -6.379 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.400 -4.040 -7.779 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.712 -2.559 -9.701 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.319 -1.810 -8.205 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.761 -1.292 -8.891 1.00 0.00 H new ATOM 405 N LYS A 39 -0.379 -2.995 -8.499 1.00 0.00 N ATOM 406 CA LYS A 39 0.876 -3.385 -9.118 1.00 0.00 C ATOM 407 C LYS A 39 1.417 -4.635 -8.420 1.00 0.00 C ATOM 408 O LYS A 39 1.409 -5.723 -8.994 1.00 0.00 O ATOM 409 CB LYS A 39 1.858 -2.212 -9.125 1.00 0.00 C ATOM 410 CG LYS A 39 1.460 -1.170 -10.173 1.00 0.00 C ATOM 411 CD LYS A 39 2.516 -1.071 -11.276 1.00 0.00 C ATOM 412 CE LYS A 39 2.209 0.088 -12.226 1.00 0.00 C ATOM 413 NZ LYS A 39 3.287 1.101 -12.173 1.00 0.00 N ATOM 0 H LYS A 39 -0.346 -2.114 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 39 0.719 -3.646 -10.165 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.884 -1.749 -8.138 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.864 -2.576 -9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.497 -1.437 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.335 -0.198 -9.696 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.501 -0.930 -10.830 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.551 -2.006 -11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 39 2.104 -0.287 -13.244 1.00 0.00 H new ATOM 0 HE3 LYS A 39 1.258 0.546 -11.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.275 1.667 -13.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.138 1.724 -11.354 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 4.207 0.625 -12.082 1.00 0.00 H new ATOM 427 N LEU A 40 1.872 -4.437 -7.191 1.00 0.00 N ATOM 428 CA LEU A 40 2.415 -5.535 -6.409 1.00 0.00 C ATOM 429 C LEU A 40 1.508 -6.758 -6.555 1.00 0.00 C ATOM 430 O LEU A 40 1.982 -7.892 -6.540 1.00 0.00 O ATOM 431 CB LEU A 40 2.634 -5.101 -4.958 1.00 0.00 C ATOM 432 CG LEU A 40 3.867 -4.234 -4.696 1.00 0.00 C ATOM 433 CD1 LEU A 40 5.142 -4.936 -5.169 1.00 0.00 C ATOM 434 CD2 LEU A 40 3.708 -2.849 -5.325 1.00 0.00 C ATOM 0 H LEU A 40 1.876 -3.533 -6.718 1.00 0.00 H new ATOM 0 HA LEU A 40 3.398 -5.821 -6.784 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.752 -4.553 -4.626 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.705 -5.995 -4.339 1.00 0.00 H new ATOM 0 HG LEU A 40 3.960 -4.089 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.003 -4.298 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.258 -5.879 -4.634 1.00 0.00 H new ATOM 0 HD13 LEU A 40 5.074 -5.132 -6.239 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.598 -2.254 -5.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 3.576 -2.952 -6.402 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.836 -2.353 -4.898 1.00 0.00 H new ATOM 446 N GLU A 41 0.219 -6.485 -6.694 1.00 0.00 N ATOM 447 CA GLU A 41 -0.759 -7.549 -6.843 1.00 0.00 C ATOM 448 C GLU A 41 -0.397 -8.440 -8.033 1.00 0.00 C ATOM 449 O GLU A 41 -0.485 -9.664 -7.946 1.00 0.00 O ATOM 450 CB GLU A 41 -2.171 -6.979 -6.994 1.00 0.00 C ATOM 451 CG GLU A 41 -2.818 -6.746 -5.627 1.00 0.00 C ATOM 452 CD GLU A 41 -4.307 -7.094 -5.659 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.885 -7.014 -6.764 1.00 0.00 O ATOM 454 OE2 GLU A 41 -4.834 -7.432 -4.577 1.00 0.00 O ATOM 0 H GLU A 41 -0.171 -5.542 -6.707 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.744 -8.159 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.131 -6.040 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.784 -7.666 -7.578 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.315 -7.353 -4.874 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.691 -5.704 -5.333 1.00 0.00 H new ATOM 461 N GLN A 42 0.001 -7.791 -9.117 1.00 0.00 N ATOM 462 CA GLN A 42 0.377 -8.509 -10.323 1.00 0.00 C ATOM 463 C GLN A 42 1.899 -8.528 -10.478 1.00 0.00 C ATOM 464 O GLN A 42 2.425 -9.143 -11.405 1.00 0.00 O ATOM 465 CB GLN A 42 -0.292 -7.898 -11.556 1.00 0.00 C ATOM 466 CG GLN A 42 0.095 -6.427 -11.718 1.00 0.00 C ATOM 467 CD GLN A 42 -0.330 -5.895 -13.088 1.00 0.00 C ATOM 468 OE1 GLN A 42 -0.382 -6.613 -14.073 1.00 0.00 O ATOM 469 NE2 GLN A 42 -0.631 -4.600 -13.095 1.00 0.00 N ATOM 0 H GLN A 42 0.071 -6.776 -9.186 1.00 0.00 H new ATOM 0 HA GLN A 42 0.028 -9.538 -10.233 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.001 -8.455 -12.446 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.375 -7.985 -11.467 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.375 -5.835 -10.933 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.173 -6.316 -11.599 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.566 -4.057 -12.234 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.927 -4.150 -13.961 1.00 0.00 H new ATOM 478 N ALA A 43 2.563 -7.847 -9.556 1.00 0.00 N ATOM 479 CA ALA A 43 4.015 -7.777 -9.579 1.00 0.00 C ATOM 480 C ALA A 43 4.583 -8.745 -8.539 1.00 0.00 C ATOM 481 O ALA A 43 5.790 -8.982 -8.501 1.00 0.00 O ATOM 482 CB ALA A 43 4.460 -6.334 -9.336 1.00 0.00 C ATOM 0 H ALA A 43 2.123 -7.339 -8.789 1.00 0.00 H new ATOM 0 HA ALA A 43 4.399 -8.077 -10.554 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.549 -6.281 -9.353 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.053 -5.691 -10.117 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.096 -6.000 -8.365 1.00 0.00 H new ATOM 488 N LEU A 44 3.688 -9.280 -7.722 1.00 0.00 N ATOM 489 CA LEU A 44 4.085 -10.217 -6.686 1.00 0.00 C ATOM 490 C LEU A 44 2.997 -11.280 -6.521 1.00 0.00 C ATOM 491 O LEU A 44 3.294 -12.473 -6.466 1.00 0.00 O ATOM 492 CB LEU A 44 4.419 -9.474 -5.391 1.00 0.00 C ATOM 493 CG LEU A 44 5.665 -8.586 -5.429 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.795 -7.768 -4.143 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.920 -9.414 -5.712 1.00 0.00 C ATOM 0 H LEU A 44 2.688 -9.082 -7.757 1.00 0.00 H new ATOM 0 HA LEU A 44 4.999 -10.737 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.564 -8.855 -5.120 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.545 -10.209 -4.596 1.00 0.00 H new ATOM 0 HG LEU A 44 5.555 -7.878 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.688 -7.146 -4.196 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.917 -7.133 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.872 -8.442 -3.290 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.791 -8.759 -5.734 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.047 -10.161 -4.929 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.817 -9.913 -6.676 1.00 0.00 H new ATOM 507 N SER A 45 1.761 -10.810 -6.448 1.00 0.00 N ATOM 508 CA SER A 45 0.628 -11.705 -6.291 1.00 0.00 C ATOM 509 C SER A 45 0.754 -12.485 -4.981 1.00 0.00 C ATOM 510 O SER A 45 0.819 -13.713 -4.989 1.00 0.00 O ATOM 511 CB SER A 45 0.519 -12.670 -7.474 1.00 0.00 C ATOM 512 OG SER A 45 -0.826 -12.821 -7.918 1.00 0.00 O ATOM 0 H SER A 45 1.519 -9.820 -6.495 1.00 0.00 H new ATOM 0 HA SER A 45 -0.280 -11.103 -6.263 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.134 -12.305 -8.297 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.917 -13.643 -7.186 1.00 0.00 H new ATOM 0 HG SER A 45 -1.216 -11.938 -8.087 1.00 0.00 H new ATOM 518 N PRO A 46 0.787 -11.720 -3.857 1.00 0.00 N ATOM 519 CA PRO A 46 0.905 -12.326 -2.542 1.00 0.00 C ATOM 520 C PRO A 46 -0.418 -12.963 -2.111 1.00 0.00 C ATOM 521 O PRO A 46 -1.401 -12.921 -2.850 1.00 0.00 O ATOM 522 CB PRO A 46 1.346 -11.196 -1.626 1.00 0.00 C ATOM 523 CG PRO A 46 1.010 -9.908 -2.362 1.00 0.00 C ATOM 524 CD PRO A 46 0.713 -10.262 -3.810 1.00 0.00 C ATOM 0 HA PRO A 46 1.625 -13.144 -2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.828 -11.245 -0.668 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.414 -11.258 -1.415 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.149 -9.420 -1.904 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.842 -9.207 -2.304 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.272 -9.905 -4.111 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.437 -9.807 -4.486 1.00 0.00 H new ATOM 532 N GLU A 47 -0.400 -13.538 -0.918 1.00 0.00 N ATOM 533 CA GLU A 47 -1.585 -14.183 -0.380 1.00 0.00 C ATOM 534 C GLU A 47 -2.399 -13.190 0.452 1.00 0.00 C ATOM 535 O GLU A 47 -3.598 -13.377 0.651 1.00 0.00 O ATOM 536 CB GLU A 47 -1.212 -15.415 0.447 1.00 0.00 C ATOM 537 CG GLU A 47 -0.460 -16.440 -0.405 1.00 0.00 C ATOM 538 CD GLU A 47 -1.406 -17.138 -1.385 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.451 -17.632 -0.910 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.062 -17.161 -2.587 1.00 0.00 O ATOM 0 H GLU A 47 0.417 -13.571 -0.308 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.201 -14.519 -1.214 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.593 -15.116 1.293 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.114 -15.869 0.857 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.339 -15.944 -0.956 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.011 -17.181 0.242 1.00 0.00 H new ATOM 547 N VAL A 48 -1.713 -12.156 0.917 1.00 0.00 N ATOM 548 CA VAL A 48 -2.357 -11.133 1.723 1.00 0.00 C ATOM 549 C VAL A 48 -1.697 -9.780 1.446 1.00 0.00 C ATOM 550 O VAL A 48 -0.556 -9.549 1.842 1.00 0.00 O ATOM 551 CB VAL A 48 -2.313 -11.527 3.201 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.128 -10.551 4.053 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.798 -12.965 3.399 1.00 0.00 C ATOM 0 H VAL A 48 -0.718 -12.005 0.751 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.410 -11.042 1.455 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.276 -11.474 3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.080 -10.854 5.099 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.719 -9.546 3.947 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.166 -10.557 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.757 -13.220 4.458 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.825 -13.055 3.044 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.158 -13.645 2.837 1.00 0.00 H new ATOM 563 N LEU A 49 -2.444 -8.922 0.767 1.00 0.00 N ATOM 564 CA LEU A 49 -1.946 -7.599 0.432 1.00 0.00 C ATOM 565 C LEU A 49 -2.865 -6.542 1.046 1.00 0.00 C ATOM 566 O LEU A 49 -3.969 -6.313 0.555 1.00 0.00 O ATOM 567 CB LEU A 49 -1.773 -7.459 -1.082 1.00 0.00 C ATOM 568 CG LEU A 49 -0.380 -7.051 -1.564 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.204 -7.353 -3.053 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.095 -5.583 -1.239 1.00 0.00 C ATOM 0 H LEU A 49 -3.390 -9.117 0.440 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.955 -7.446 0.858 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.032 -8.410 -1.547 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.491 -6.722 -1.443 1.00 0.00 H new ATOM 0 HG LEU A 49 0.356 -7.649 -1.026 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.795 -7.053 -3.369 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.334 -8.421 -3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.948 -6.800 -3.627 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.902 -5.319 -1.592 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.834 -4.951 -1.732 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.150 -5.432 -0.161 1.00 0.00 H new ATOM 582 N GLU A 50 -2.376 -5.926 2.112 1.00 0.00 N ATOM 583 CA GLU A 50 -3.140 -4.898 2.799 1.00 0.00 C ATOM 584 C GLU A 50 -2.390 -3.565 2.763 1.00 0.00 C ATOM 585 O GLU A 50 -1.205 -3.507 3.090 1.00 0.00 O ATOM 586 CB GLU A 50 -3.449 -5.315 4.238 1.00 0.00 C ATOM 587 CG GLU A 50 -4.672 -6.233 4.293 1.00 0.00 C ATOM 588 CD GLU A 50 -5.966 -5.419 4.363 1.00 0.00 C ATOM 589 OE1 GLU A 50 -5.983 -4.327 3.755 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.908 -5.907 5.023 1.00 0.00 O ATOM 0 H GLU A 50 -1.460 -6.119 2.517 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.090 -4.771 2.280 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.587 -5.827 4.665 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.628 -4.429 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.689 -6.875 3.412 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.602 -6.887 5.162 1.00 0.00 H new ATOM 597 N LEU A 51 -3.110 -2.528 2.363 1.00 0.00 N ATOM 598 CA LEU A 51 -2.527 -1.199 2.280 1.00 0.00 C ATOM 599 C LEU A 51 -3.448 -0.198 2.979 1.00 0.00 C ATOM 600 O LEU A 51 -4.670 -0.330 2.924 1.00 0.00 O ATOM 601 CB LEU A 51 -2.218 -0.839 0.825 1.00 0.00 C ATOM 602 CG LEU A 51 -0.998 0.056 0.600 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.683 0.188 -0.891 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.188 1.419 1.269 1.00 0.00 C ATOM 0 H LEU A 51 -4.092 -2.581 2.093 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.570 -1.170 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.074 -1.763 0.266 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.091 -0.343 0.401 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.136 -0.416 1.070 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.188 0.829 -1.023 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.475 -0.798 -1.308 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.538 0.626 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.307 2.036 1.094 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.065 1.911 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.328 1.282 2.341 1.00 0.00 H new ATOM 616 N ARG A 52 -2.827 0.780 3.622 1.00 0.00 N ATOM 617 CA ARG A 52 -3.576 1.803 4.331 1.00 0.00 C ATOM 618 C ARG A 52 -2.750 3.087 4.439 1.00 0.00 C ATOM 619 O ARG A 52 -1.523 3.037 4.492 1.00 0.00 O ATOM 620 CB ARG A 52 -3.959 1.332 5.735 1.00 0.00 C ATOM 621 CG ARG A 52 -5.265 0.534 5.709 1.00 0.00 C ATOM 622 CD ARG A 52 -4.995 -0.964 5.862 1.00 0.00 C ATOM 623 NE ARG A 52 -6.250 -1.726 5.672 1.00 0.00 N ATOM 624 CZ ARG A 52 -7.221 -1.814 6.590 1.00 0.00 C ATOM 625 NH1 ARG A 52 -7.089 -1.189 7.768 1.00 0.00 N ATOM 626 NH2 ARG A 52 -8.325 -2.528 6.331 1.00 0.00 N ATOM 0 H ARG A 52 -1.813 0.885 3.667 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.487 1.999 3.765 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.160 0.715 6.146 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.068 2.193 6.394 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.919 0.873 6.512 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.790 0.719 4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.251 -1.284 5.132 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.581 -1.169 6.850 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.383 -2.214 4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.249 -0.646 7.966 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -7.829 -1.256 8.467 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.426 -3.004 5.435 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.065 -2.595 7.030 1.00 0.00 H new ATOM 794 N THR A 66 2.219 10.871 1.945 1.00 0.00 N ATOM 795 CA THR A 66 3.649 10.616 1.983 1.00 0.00 C ATOM 796 C THR A 66 3.949 9.384 2.839 1.00 0.00 C ATOM 797 O THR A 66 4.888 8.641 2.556 1.00 0.00 O ATOM 798 CB THR A 66 4.343 11.886 2.482 1.00 0.00 C ATOM 799 OG1 THR A 66 3.683 12.182 3.709 1.00 0.00 O ATOM 800 CG2 THR A 66 4.049 13.099 1.598 1.00 0.00 C ATOM 0 HA THR A 66 4.036 10.385 0.990 1.00 0.00 H new ATOM 0 HB THR A 66 5.419 11.720 2.523 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.723 12.010 3.614 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.565 13.973 1.996 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.397 12.903 0.584 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.975 13.287 1.583 1.00 0.00 H new ATOM 808 N HIS A 67 3.134 9.205 3.868 1.00 0.00 N ATOM 809 CA HIS A 67 3.301 8.076 4.767 1.00 0.00 C ATOM 810 C HIS A 67 2.266 6.999 4.434 1.00 0.00 C ATOM 811 O HIS A 67 1.065 7.261 4.449 1.00 0.00 O ATOM 812 CB HIS A 67 3.236 8.529 6.227 1.00 0.00 C ATOM 813 CG HIS A 67 4.581 8.602 6.908 1.00 0.00 C ATOM 814 ND1 HIS A 67 4.989 9.698 7.648 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.607 7.704 6.953 1.00 0.00 C ATOM 816 CE1 HIS A 67 6.206 9.460 8.113 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.588 8.224 7.681 1.00 0.00 N ATOM 0 H HIS A 67 2.356 9.823 4.099 1.00 0.00 H new ATOM 0 HA HIS A 67 4.289 7.638 4.627 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.764 9.511 6.271 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.596 7.842 6.782 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.619 6.735 6.477 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.793 10.127 8.727 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.480 7.773 7.884 1.00 0.00 H new ATOM 825 N PHE A 68 2.772 5.809 4.141 1.00 0.00 N ATOM 826 CA PHE A 68 1.907 4.691 3.805 1.00 0.00 C ATOM 827 C PHE A 68 2.362 3.413 4.513 1.00 0.00 C ATOM 828 O PHE A 68 3.424 3.388 5.133 1.00 0.00 O ATOM 829 CB PHE A 68 2.008 4.486 2.292 1.00 0.00 C ATOM 830 CG PHE A 68 0.867 5.126 1.499 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.416 4.728 1.713 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.135 6.092 0.581 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.475 5.322 0.977 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.076 6.686 -0.155 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.207 6.288 0.059 1.00 0.00 C ATOM 0 H PHE A 68 3.769 5.595 4.129 1.00 0.00 H new ATOM 0 HA PHE A 68 0.885 4.904 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.955 4.898 1.943 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.028 3.417 2.081 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.629 3.961 2.442 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.154 6.408 0.411 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.494 5.006 1.147 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.289 7.453 -0.884 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.013 6.740 -0.501 1.00 0.00 H new ATOM 845 N ARG A 69 1.536 2.384 4.397 1.00 0.00 N ATOM 846 CA ARG A 69 1.841 1.106 5.018 1.00 0.00 C ATOM 847 C ARG A 69 1.159 -0.031 4.255 1.00 0.00 C ATOM 848 O ARG A 69 -0.068 -0.090 4.189 1.00 0.00 O ATOM 849 CB ARG A 69 1.382 1.080 6.477 1.00 0.00 C ATOM 850 CG ARG A 69 2.548 0.756 7.413 1.00 0.00 C ATOM 851 CD ARG A 69 2.418 1.516 8.735 1.00 0.00 C ATOM 852 NE ARG A 69 3.409 2.614 8.788 1.00 0.00 N ATOM 853 CZ ARG A 69 3.814 3.206 9.919 1.00 0.00 C ATOM 854 NH1 ARG A 69 3.315 2.811 11.098 1.00 0.00 N ATOM 855 NH2 ARG A 69 4.717 4.195 9.872 1.00 0.00 N ATOM 0 H ARG A 69 0.656 2.409 3.882 1.00 0.00 H new ATOM 0 HA ARG A 69 2.922 0.971 4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.954 2.046 6.745 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.594 0.337 6.601 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.576 -0.316 7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.490 1.017 6.930 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.410 1.920 8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.572 0.835 9.572 1.00 0.00 H new ATOM 0 HE ARG A 69 3.809 2.940 7.908 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.627 2.059 11.134 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.624 3.262 11.959 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.096 4.497 8.975 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.025 4.646 10.734 1.00 0.00 H new ATOM 869 N VAL A 70 1.983 -0.906 3.698 1.00 0.00 N ATOM 870 CA VAL A 70 1.475 -2.038 2.942 1.00 0.00 C ATOM 871 C VAL A 70 1.975 -3.336 3.579 1.00 0.00 C ATOM 872 O VAL A 70 3.131 -3.425 3.989 1.00 0.00 O ATOM 873 CB VAL A 70 1.868 -1.903 1.470 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.238 -2.531 1.209 1.00 0.00 C ATOM 875 CG2 VAL A 70 0.801 -2.516 0.560 1.00 0.00 C ATOM 0 H VAL A 70 3.000 -0.854 3.755 1.00 0.00 H new ATOM 0 HA VAL A 70 0.386 -2.060 2.972 1.00 0.00 H new ATOM 0 HB VAL A 70 1.937 -0.840 1.237 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.494 -2.421 0.155 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.990 -2.030 1.819 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.208 -3.590 1.467 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.104 -2.407 -0.481 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.686 -3.574 0.796 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.149 -2.004 0.717 1.00 0.00 H new ATOM 885 N ALA A 71 1.079 -4.311 3.640 1.00 0.00 N ATOM 886 CA ALA A 71 1.415 -5.600 4.219 1.00 0.00 C ATOM 887 C ALA A 71 1.340 -6.677 3.135 1.00 0.00 C ATOM 888 O ALA A 71 0.257 -7.158 2.806 1.00 0.00 O ATOM 889 CB ALA A 71 0.480 -5.891 5.395 1.00 0.00 C ATOM 0 H ALA A 71 0.121 -4.234 3.298 1.00 0.00 H new ATOM 0 HA ALA A 71 2.434 -5.592 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.732 -6.858 5.830 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.593 -5.113 6.150 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.552 -5.909 5.044 1.00 0.00 H new ATOM 895 N VAL A 72 2.506 -7.023 2.609 1.00 0.00 N ATOM 896 CA VAL A 72 2.586 -8.034 1.568 1.00 0.00 C ATOM 897 C VAL A 72 2.848 -9.399 2.207 1.00 0.00 C ATOM 898 O VAL A 72 3.618 -9.504 3.161 1.00 0.00 O ATOM 899 CB VAL A 72 3.649 -7.642 0.539 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.056 -7.790 1.121 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.498 -8.461 -0.744 1.00 0.00 C ATOM 0 H VAL A 72 3.402 -6.622 2.884 1.00 0.00 H new ATOM 0 HA VAL A 72 1.641 -8.103 1.030 1.00 0.00 H new ATOM 0 HB VAL A 72 3.500 -6.592 0.286 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.792 -7.505 0.370 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.159 -7.144 1.993 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.221 -8.826 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.265 -8.163 -1.458 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.608 -9.521 -0.514 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.513 -8.284 -1.175 1.00 0.00 H new ATOM 911 N VAL A 73 2.192 -10.410 1.657 1.00 0.00 N ATOM 912 CA VAL A 73 2.343 -11.764 2.162 1.00 0.00 C ATOM 913 C VAL A 73 2.559 -12.720 0.988 1.00 0.00 C ATOM 914 O VAL A 73 1.603 -13.287 0.460 1.00 0.00 O ATOM 915 CB VAL A 73 1.137 -12.139 3.025 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.231 -13.591 3.497 1.00 0.00 C ATOM 917 CG2 VAL A 73 0.994 -11.185 4.212 1.00 0.00 C ATOM 0 H VAL A 73 1.554 -10.319 0.866 1.00 0.00 H new ATOM 0 HA VAL A 73 3.220 -11.836 2.805 1.00 0.00 H new ATOM 0 HB VAL A 73 0.242 -12.044 2.410 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.361 -13.832 4.109 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.261 -14.254 2.632 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.138 -13.724 4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.129 -11.474 4.809 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.892 -11.233 4.828 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.859 -10.167 3.846 1.00 0.00 H new ATOM 927 N SER A 74 3.821 -12.871 0.613 1.00 0.00 N ATOM 928 CA SER A 74 4.174 -13.749 -0.489 1.00 0.00 C ATOM 929 C SER A 74 5.376 -14.614 -0.105 1.00 0.00 C ATOM 930 O SER A 74 6.056 -14.335 0.881 1.00 0.00 O ATOM 931 CB SER A 74 4.481 -12.947 -1.756 1.00 0.00 C ATOM 932 OG SER A 74 3.710 -13.393 -2.869 1.00 0.00 O ATOM 0 H SER A 74 4.611 -12.400 1.053 1.00 0.00 H new ATOM 0 HA SER A 74 3.321 -14.395 -0.698 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.279 -11.891 -1.575 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.542 -13.033 -1.992 1.00 0.00 H new ATOM 0 HG SER A 74 3.425 -12.620 -3.400 1.00 0.00 H new ATOM 938 N SER A 75 5.602 -15.647 -0.904 1.00 0.00 N ATOM 939 CA SER A 75 6.710 -16.554 -0.659 1.00 0.00 C ATOM 940 C SER A 75 7.993 -15.990 -1.272 1.00 0.00 C ATOM 941 O SER A 75 9.077 -16.533 -1.061 1.00 0.00 O ATOM 942 CB SER A 75 6.418 -17.945 -1.226 1.00 0.00 C ATOM 943 OG SER A 75 6.466 -17.962 -2.651 1.00 0.00 O ATOM 0 H SER A 75 5.036 -15.876 -1.721 1.00 0.00 H new ATOM 0 HA SER A 75 6.842 -16.650 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.142 -18.657 -0.830 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.434 -18.273 -0.892 1.00 0.00 H new ATOM 0 HG SER A 75 6.276 -18.868 -2.974 1.00 0.00 H new ATOM 949 N ARG A 76 7.829 -14.907 -2.017 1.00 0.00 N ATOM 950 CA ARG A 76 8.961 -14.263 -2.662 1.00 0.00 C ATOM 951 C ARG A 76 10.029 -13.908 -1.626 1.00 0.00 C ATOM 952 O ARG A 76 11.223 -14.043 -1.889 1.00 0.00 O ATOM 953 CB ARG A 76 8.527 -12.991 -3.394 1.00 0.00 C ATOM 954 CG ARG A 76 7.884 -13.327 -4.741 1.00 0.00 C ATOM 955 CD ARG A 76 8.871 -13.109 -5.890 1.00 0.00 C ATOM 956 NE ARG A 76 10.056 -13.977 -5.709 1.00 0.00 N ATOM 957 CZ ARG A 76 11.269 -13.706 -6.211 1.00 0.00 C ATOM 958 NH1 ARG A 76 11.464 -12.591 -6.928 1.00 0.00 N ATOM 959 NH2 ARG A 76 12.287 -14.551 -5.997 1.00 0.00 N ATOM 0 H ARG A 76 6.929 -14.459 -2.189 1.00 0.00 H new ATOM 0 HA ARG A 76 9.373 -14.964 -3.388 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.820 -12.436 -2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.390 -12.344 -3.550 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.547 -14.364 -4.738 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.002 -12.705 -4.892 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.389 -13.331 -6.842 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.177 -12.063 -5.924 1.00 0.00 H new ATOM 0 HE ARG A 76 9.943 -14.835 -5.169 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.689 -11.948 -7.092 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.387 -12.385 -7.310 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.139 -15.400 -5.452 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.210 -14.345 -6.379 1.00 0.00 H new ATOM 973 N PHE A 77 9.562 -13.460 -0.470 1.00 0.00 N ATOM 974 CA PHE A 77 10.463 -13.084 0.606 1.00 0.00 C ATOM 975 C PHE A 77 10.799 -14.290 1.486 1.00 0.00 C ATOM 976 O PHE A 77 10.897 -14.164 2.706 1.00 0.00 O ATOM 977 CB PHE A 77 9.736 -12.037 1.453 1.00 0.00 C ATOM 978 CG PHE A 77 8.938 -11.020 0.634 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.572 -10.226 -0.270 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.594 -10.911 0.810 1.00 0.00 C ATOM 981 CE1 PHE A 77 8.831 -9.283 -1.030 1.00 0.00 C ATOM 982 CE2 PHE A 77 6.852 -9.967 0.051 1.00 0.00 C ATOM 983 CZ PHE A 77 7.487 -9.173 -0.853 1.00 0.00 C ATOM 0 H PHE A 77 8.571 -13.349 -0.255 1.00 0.00 H new ATOM 0 HA PHE A 77 11.395 -12.698 0.193 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.060 -12.546 2.140 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.467 -11.505 2.061 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.639 -10.313 -0.410 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.091 -11.542 1.527 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.334 -8.653 -1.748 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.785 -9.880 0.191 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.924 -8.455 -1.430 1.00 0.00 H new ATOM 993 N GLU A 78 10.965 -15.430 0.833 1.00 0.00 N ATOM 994 CA GLU A 78 11.288 -16.658 1.541 1.00 0.00 C ATOM 995 C GLU A 78 12.773 -16.683 1.910 1.00 0.00 C ATOM 996 O GLU A 78 13.628 -16.874 1.047 1.00 0.00 O ATOM 997 CB GLU A 78 10.909 -17.885 0.710 1.00 0.00 C ATOM 998 CG GLU A 78 9.572 -18.468 1.171 1.00 0.00 C ATOM 999 CD GLU A 78 9.612 -19.997 1.178 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.010 -20.559 0.134 1.00 0.00 O ATOM 1001 OE2 GLU A 78 9.245 -20.570 2.226 1.00 0.00 O ATOM 0 H GLU A 78 10.882 -15.530 -0.179 1.00 0.00 H new ATOM 0 HA GLU A 78 10.705 -16.689 2.461 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.846 -17.610 -0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.689 -18.642 0.796 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.338 -18.103 2.171 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.775 -18.125 0.511 1.00 0.00 H new ATOM 1008 N GLY A 79 13.034 -16.487 3.194 1.00 0.00 N ATOM 1009 CA GLY A 79 14.400 -16.484 3.689 1.00 0.00 C ATOM 1010 C GLY A 79 15.255 -15.466 2.932 1.00 0.00 C ATOM 1011 O GLY A 79 16.386 -15.762 2.549 1.00 0.00 O ATOM 0 H GLY A 79 12.322 -16.329 3.907 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.404 -16.248 4.753 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.832 -17.479 3.581 1.00 0.00 H new ATOM 1015 N MET A 80 14.682 -14.287 2.739 1.00 0.00 N ATOM 1016 CA MET A 80 15.377 -13.223 2.035 1.00 0.00 C ATOM 1017 C MET A 80 15.823 -12.125 3.003 1.00 0.00 C ATOM 1018 O MET A 80 15.653 -12.254 4.215 1.00 0.00 O ATOM 1019 CB MET A 80 14.453 -12.624 0.973 1.00 0.00 C ATOM 1020 CG MET A 80 14.550 -13.403 -0.340 1.00 0.00 C ATOM 1021 SD MET A 80 14.971 -12.297 -1.676 1.00 0.00 S ATOM 1022 CE MET A 80 13.402 -11.478 -1.907 1.00 0.00 C ATOM 0 H MET A 80 13.744 -14.045 3.058 1.00 0.00 H new ATOM 0 HA MET A 80 16.263 -13.645 1.561 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.424 -12.636 1.332 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.718 -11.581 0.802 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.304 -14.185 -0.253 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.601 -13.896 -0.551 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.073 -11.607 -2.938 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.663 -11.911 -1.233 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.511 -10.415 -1.691 1.00 0.00 H new ATOM 1032 N SER A 81 16.384 -11.069 2.432 1.00 0.00 N ATOM 1033 CA SER A 81 16.855 -9.949 3.229 1.00 0.00 C ATOM 1034 C SER A 81 15.737 -8.918 3.396 1.00 0.00 C ATOM 1035 O SER A 81 14.715 -8.990 2.714 1.00 0.00 O ATOM 1036 CB SER A 81 18.085 -9.299 2.593 1.00 0.00 C ATOM 1037 OG SER A 81 17.739 -8.179 1.784 1.00 0.00 O ATOM 0 H SER A 81 16.523 -10.965 1.427 1.00 0.00 H new ATOM 0 HA SER A 81 17.143 -10.326 4.211 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.773 -8.981 3.377 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.611 -10.036 1.986 1.00 0.00 H new ATOM 0 HG SER A 81 18.553 -7.697 1.528 1.00 0.00 H new ATOM 1043 N PRO A 82 15.974 -7.959 4.329 1.00 0.00 N ATOM 1044 CA PRO A 82 14.999 -6.914 4.594 1.00 0.00 C ATOM 1045 C PRO A 82 14.994 -5.872 3.474 1.00 0.00 C ATOM 1046 O PRO A 82 13.943 -5.338 3.122 1.00 0.00 O ATOM 1047 CB PRO A 82 15.397 -6.336 5.942 1.00 0.00 C ATOM 1048 CG PRO A 82 16.841 -6.755 6.164 1.00 0.00 C ATOM 1049 CD PRO A 82 17.172 -7.842 5.155 1.00 0.00 C ATOM 0 HA PRO A 82 13.977 -7.291 4.624 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.300 -5.250 5.946 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.753 -6.716 6.735 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.509 -5.903 6.040 1.00 0.00 H new ATOM 0 HG3 PRO A 82 16.980 -7.123 7.181 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.042 -7.574 4.555 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.405 -8.785 5.651 1.00 0.00 H new ATOM 1057 N LEU A 83 16.180 -5.614 2.944 1.00 0.00 N ATOM 1058 CA LEU A 83 16.326 -4.646 1.871 1.00 0.00 C ATOM 1059 C LEU A 83 15.667 -5.192 0.603 1.00 0.00 C ATOM 1060 O LEU A 83 14.655 -4.662 0.147 1.00 0.00 O ATOM 1061 CB LEU A 83 17.798 -4.269 1.685 1.00 0.00 C ATOM 1062 CG LEU A 83 18.311 -3.120 2.556 1.00 0.00 C ATOM 1063 CD1 LEU A 83 19.833 -3.002 2.466 1.00 0.00 C ATOM 1064 CD2 LEU A 83 17.612 -1.807 2.198 1.00 0.00 C ATOM 0 H LEU A 83 17.049 -6.059 3.238 1.00 0.00 H new ATOM 0 HA LEU A 83 15.812 -3.718 2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.407 -5.151 1.886 1.00 0.00 H new ATOM 0 HB3 LEU A 83 17.956 -4.004 0.639 1.00 0.00 H new ATOM 0 HG LEU A 83 18.066 -3.342 3.595 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.172 -2.178 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.291 -3.930 2.807 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.123 -2.813 1.432 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.995 -1.007 2.831 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.804 -1.566 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.538 -1.912 2.355 1.00 0.00 H new ATOM 1076 N GLN A 84 16.267 -6.246 0.069 1.00 0.00 N ATOM 1077 CA GLN A 84 15.751 -6.870 -1.137 1.00 0.00 C ATOM 1078 C GLN A 84 14.221 -6.845 -1.135 1.00 0.00 C ATOM 1079 O GLN A 84 13.603 -6.369 -2.086 1.00 0.00 O ATOM 1080 CB GLN A 84 16.276 -8.300 -1.282 1.00 0.00 C ATOM 1081 CG GLN A 84 17.785 -8.307 -1.535 1.00 0.00 C ATOM 1082 CD GLN A 84 18.256 -9.687 -2.000 1.00 0.00 C ATOM 1083 OE1 GLN A 84 18.741 -10.498 -1.229 1.00 0.00 O ATOM 1084 NE2 GLN A 84 18.086 -9.906 -3.301 1.00 0.00 N ATOM 0 H GLN A 84 17.106 -6.683 0.450 1.00 0.00 H new ATOM 0 HA GLN A 84 16.103 -6.300 -1.997 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.053 -8.867 -0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.763 -8.798 -2.105 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.035 -7.560 -2.289 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.312 -8.027 -0.623 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.673 -9.183 -3.890 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.368 -10.797 -3.709 1.00 0.00 H new ATOM 1093 N ARG A 85 13.654 -7.363 -0.055 1.00 0.00 N ATOM 1094 CA ARG A 85 12.209 -7.406 0.083 1.00 0.00 C ATOM 1095 C ARG A 85 11.594 -6.074 -0.350 1.00 0.00 C ATOM 1096 O ARG A 85 10.910 -6.004 -1.370 1.00 0.00 O ATOM 1097 CB ARG A 85 11.802 -7.702 1.528 1.00 0.00 C ATOM 1098 CG ARG A 85 12.052 -9.170 1.879 1.00 0.00 C ATOM 1099 CD ARG A 85 12.059 -9.379 3.395 1.00 0.00 C ATOM 1100 NE ARG A 85 12.273 -10.809 3.708 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.098 -11.347 4.923 1.00 0.00 C ATOM 1102 NH1 ARG A 85 11.704 -10.576 5.946 1.00 0.00 N ATOM 1103 NH2 ARG A 85 12.316 -12.655 5.114 1.00 0.00 N ATOM 0 H ARG A 85 14.170 -7.756 0.732 1.00 0.00 H new ATOM 0 HA ARG A 85 11.839 -8.206 -0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.365 -7.061 2.207 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.747 -7.466 1.668 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.280 -9.792 1.426 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.006 -9.490 1.460 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.846 -8.777 3.850 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.114 -9.043 3.821 1.00 0.00 H new ATOM 0 HE ARG A 85 12.573 -11.424 2.952 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.537 -9.580 5.800 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.571 -10.985 6.871 1.00 0.00 H new ATOM 0 HH21 ARG A 85 12.615 -13.241 4.335 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.183 -13.065 6.039 1.00 0.00 H new ATOM 1117 N HIS A 86 11.860 -5.049 0.448 1.00 0.00 N ATOM 1118 CA HIS A 86 11.341 -3.723 0.160 1.00 0.00 C ATOM 1119 C HIS A 86 11.768 -3.299 -1.247 1.00 0.00 C ATOM 1120 O HIS A 86 10.984 -2.706 -1.986 1.00 0.00 O ATOM 1121 CB HIS A 86 11.773 -2.725 1.236 1.00 0.00 C ATOM 1122 CG HIS A 86 11.107 -2.939 2.574 1.00 0.00 C ATOM 1123 ND1 HIS A 86 10.868 -1.908 3.466 1.00 0.00 N ATOM 1124 CD2 HIS A 86 10.631 -4.074 3.162 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.276 -2.411 4.539 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.131 -3.754 4.349 1.00 0.00 N ATOM 0 H HIS A 86 12.428 -5.111 1.293 1.00 0.00 H new ATOM 0 HA HIS A 86 10.251 -3.743 0.181 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.853 -2.790 1.365 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.554 -1.715 0.890 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.657 -5.065 2.734 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.963 -1.856 5.411 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.708 -4.405 5.010 1.00 0.00 H new ATOM 1134 N ARG A 87 13.011 -3.620 -1.575 1.00 0.00 N ATOM 1135 CA ARG A 87 13.552 -3.280 -2.880 1.00 0.00 C ATOM 1136 C ARG A 87 12.670 -3.860 -3.988 1.00 0.00 C ATOM 1137 O ARG A 87 12.336 -3.166 -4.947 1.00 0.00 O ATOM 1138 CB ARG A 87 14.977 -3.813 -3.041 1.00 0.00 C ATOM 1139 CG ARG A 87 15.574 -3.384 -4.383 1.00 0.00 C ATOM 1140 CD ARG A 87 16.778 -4.254 -4.751 1.00 0.00 C ATOM 1141 NE ARG A 87 17.873 -3.408 -5.276 1.00 0.00 N ATOM 1142 CZ ARG A 87 19.112 -3.852 -5.526 1.00 0.00 C ATOM 1143 NH1 ARG A 87 19.422 -5.135 -5.298 1.00 0.00 N ATOM 1144 NH2 ARG A 87 20.041 -3.012 -6.002 1.00 0.00 N ATOM 0 H ARG A 87 13.659 -4.112 -0.960 1.00 0.00 H new ATOM 0 HA ARG A 87 13.571 -2.193 -2.958 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.601 -3.445 -2.227 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.972 -4.901 -2.972 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.816 -3.458 -5.163 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.878 -2.339 -4.332 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.121 -4.804 -3.875 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.488 -4.993 -5.498 1.00 0.00 H new ATOM 0 HE ARG A 87 17.672 -2.425 -5.459 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.715 -5.774 -4.934 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.365 -5.473 -5.488 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.805 -2.035 -6.174 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.984 -3.350 -6.192 1.00 0.00 H new ATOM 1158 N LEU A 88 12.319 -5.126 -3.819 1.00 0.00 N ATOM 1159 CA LEU A 88 11.482 -5.807 -4.792 1.00 0.00 C ATOM 1160 C LEU A 88 10.226 -4.973 -5.051 1.00 0.00 C ATOM 1161 O LEU A 88 9.866 -4.726 -6.201 1.00 0.00 O ATOM 1162 CB LEU A 88 11.187 -7.238 -4.337 1.00 0.00 C ATOM 1163 CG LEU A 88 11.855 -8.350 -5.148 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.886 -9.100 -4.302 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.811 -9.294 -5.749 1.00 0.00 C ATOM 0 H LEU A 88 12.599 -5.698 -3.023 1.00 0.00 H new ATOM 0 HA LEU A 88 12.004 -5.901 -5.744 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.496 -7.338 -3.297 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.108 -7.392 -4.366 1.00 0.00 H new ATOM 0 HG LEU A 88 12.391 -7.892 -5.979 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.347 -9.885 -4.901 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.654 -8.405 -3.963 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.393 -9.545 -3.438 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.313 -10.075 -6.320 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.227 -9.748 -4.948 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.148 -8.732 -6.407 1.00 0.00 H new ATOM 1177 N VAL A 89 9.593 -4.561 -3.962 1.00 0.00 N ATOM 1178 CA VAL A 89 8.385 -3.759 -4.057 1.00 0.00 C ATOM 1179 C VAL A 89 8.742 -2.364 -4.574 1.00 0.00 C ATOM 1180 O VAL A 89 8.128 -1.873 -5.519 1.00 0.00 O ATOM 1181 CB VAL A 89 7.669 -3.730 -2.705 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.448 -2.808 -2.751 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.275 -5.140 -2.262 1.00 0.00 C ATOM 0 H VAL A 89 9.894 -4.768 -3.010 1.00 0.00 H new ATOM 0 HA VAL A 89 7.689 -4.201 -4.770 1.00 0.00 H new ATOM 0 HB VAL A 89 8.364 -3.330 -1.967 1.00 0.00 H new ATOM 0 HG11 VAL A 89 5.957 -2.805 -1.778 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.766 -1.795 -3.000 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.750 -3.166 -3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.768 -5.090 -1.298 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.606 -5.580 -3.002 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.170 -5.756 -2.170 1.00 0.00 H new ATOM 1193 N HIS A 90 9.735 -1.767 -3.932 1.00 0.00 N ATOM 1194 CA HIS A 90 10.182 -0.438 -4.316 1.00 0.00 C ATOM 1195 C HIS A 90 10.474 -0.409 -5.818 1.00 0.00 C ATOM 1196 O HIS A 90 10.176 0.575 -6.492 1.00 0.00 O ATOM 1197 CB HIS A 90 11.380 -0.003 -3.470 1.00 0.00 C ATOM 1198 CG HIS A 90 11.015 0.463 -2.081 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.159 -0.066 -1.160 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 11.554 1.600 -1.505 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.175 0.705 -0.080 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 11.039 1.739 -0.293 1.00 0.00 N flip ATOM 0 H HIS A 90 10.243 -2.178 -3.149 1.00 0.00 H new ATOM 0 HA HIS A 90 9.391 0.287 -4.121 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.077 -0.837 -3.391 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.903 0.802 -3.986 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.273 2.262 -1.966 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.599 0.541 0.819 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.251 2.488 0.366 1.00 0.00 H new ATOM 1210 N GLU A 91 11.054 -1.500 -6.297 1.00 0.00 N ATOM 1211 CA GLU A 91 11.390 -1.611 -7.706 1.00 0.00 C ATOM 1212 C GLU A 91 10.130 -1.474 -8.564 1.00 0.00 C ATOM 1213 O GLU A 91 10.128 -0.749 -9.557 1.00 0.00 O ATOM 1214 CB GLU A 91 12.109 -2.930 -7.995 1.00 0.00 C ATOM 1215 CG GLU A 91 13.554 -2.682 -8.432 1.00 0.00 C ATOM 1216 CD GLU A 91 13.960 -3.639 -9.555 1.00 0.00 C ATOM 1217 OE1 GLU A 91 13.320 -3.561 -10.625 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.901 -4.426 -9.317 1.00 0.00 O ATOM 0 H GLU A 91 11.300 -2.315 -5.734 1.00 0.00 H new ATOM 0 HA GLU A 91 12.071 -0.800 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.097 -3.558 -7.104 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.578 -3.475 -8.775 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.663 -1.652 -8.770 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.222 -2.811 -7.581 1.00 0.00 H new ATOM 1225 N ALA A 92 9.090 -2.183 -8.149 1.00 0.00 N ATOM 1226 CA ALA A 92 7.828 -2.149 -8.868 1.00 0.00 C ATOM 1227 C ALA A 92 7.321 -0.707 -8.932 1.00 0.00 C ATOM 1228 O ALA A 92 6.951 -0.222 -10.000 1.00 0.00 O ATOM 1229 CB ALA A 92 6.829 -3.088 -8.189 1.00 0.00 C ATOM 0 H ALA A 92 9.096 -2.784 -7.325 1.00 0.00 H new ATOM 0 HA ALA A 92 7.960 -2.498 -9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.882 -3.063 -8.728 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.223 -4.104 -8.195 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.669 -2.767 -7.160 1.00 0.00 H new ATOM 1235 N LEU A 93 7.320 -0.062 -7.775 1.00 0.00 N ATOM 1236 CA LEU A 93 6.864 1.315 -7.686 1.00 0.00 C ATOM 1237 C LEU A 93 8.013 2.198 -7.195 1.00 0.00 C ATOM 1238 O LEU A 93 7.920 2.810 -6.133 1.00 0.00 O ATOM 1239 CB LEU A 93 5.605 1.409 -6.822 1.00 0.00 C ATOM 1240 CG LEU A 93 4.309 0.914 -7.469 1.00 0.00 C ATOM 1241 CD1 LEU A 93 4.098 1.563 -8.839 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.284 -0.614 -7.548 1.00 0.00 C ATOM 0 H LEU A 93 7.628 -0.467 -6.891 1.00 0.00 H new ATOM 0 HA LEU A 93 6.575 1.684 -8.670 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.772 0.839 -5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.467 2.450 -6.528 1.00 0.00 H new ATOM 0 HG LEU A 93 3.474 1.217 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.171 1.194 -9.277 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.040 2.645 -8.724 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.933 1.312 -9.493 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.353 -0.939 -8.012 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.127 -0.961 -8.145 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.354 -1.031 -6.544 1.00 0.00 H new ATOM 1254 N SER A 94 9.071 2.234 -7.992 1.00 0.00 N ATOM 1255 CA SER A 94 10.237 3.032 -7.652 1.00 0.00 C ATOM 1256 C SER A 94 9.894 4.521 -7.728 1.00 0.00 C ATOM 1257 O SER A 94 10.383 5.316 -6.927 1.00 0.00 O ATOM 1258 CB SER A 94 11.413 2.711 -8.577 1.00 0.00 C ATOM 1259 OG SER A 94 12.669 2.951 -7.948 1.00 0.00 O ATOM 0 H SER A 94 9.145 1.724 -8.872 1.00 0.00 H new ATOM 0 HA SER A 94 10.533 2.786 -6.632 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.356 1.667 -8.886 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.339 3.316 -9.481 1.00 0.00 H new ATOM 0 HG SER A 94 13.394 2.732 -8.570 1.00 0.00 H new ATOM 1265 N GLU A 95 9.054 4.853 -8.698 1.00 0.00 N ATOM 1266 CA GLU A 95 8.639 6.232 -8.888 1.00 0.00 C ATOM 1267 C GLU A 95 7.832 6.715 -7.681 1.00 0.00 C ATOM 1268 O GLU A 95 7.953 7.868 -7.270 1.00 0.00 O ATOM 1269 CB GLU A 95 7.838 6.390 -10.182 1.00 0.00 C ATOM 1270 CG GLU A 95 8.768 6.519 -11.390 1.00 0.00 C ATOM 1271 CD GLU A 95 8.191 7.488 -12.425 1.00 0.00 C ATOM 1272 OE1 GLU A 95 7.444 7.002 -13.301 1.00 0.00 O ATOM 1273 OE2 GLU A 95 8.511 8.691 -12.316 1.00 0.00 O ATOM 0 H GLU A 95 8.650 4.191 -9.360 1.00 0.00 H new ATOM 0 HA GLU A 95 9.532 6.851 -8.974 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.181 5.530 -10.314 1.00 0.00 H new ATOM 0 HB3 GLU A 95 7.200 7.271 -10.114 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.747 6.870 -11.064 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.916 5.540 -11.846 1.00 0.00 H new ATOM 1280 N GLU A 96 7.027 5.809 -7.147 1.00 0.00 N ATOM 1281 CA GLU A 96 6.200 6.129 -5.996 1.00 0.00 C ATOM 1282 C GLU A 96 7.066 6.657 -4.851 1.00 0.00 C ATOM 1283 O GLU A 96 6.930 7.811 -4.447 1.00 0.00 O ATOM 1284 CB GLU A 96 5.386 4.912 -5.551 1.00 0.00 C ATOM 1285 CG GLU A 96 4.296 4.578 -6.571 1.00 0.00 C ATOM 1286 CD GLU A 96 3.318 5.745 -6.730 1.00 0.00 C ATOM 1287 OE1 GLU A 96 2.436 5.869 -5.853 1.00 0.00 O ATOM 1288 OE2 GLU A 96 3.476 6.486 -7.724 1.00 0.00 O ATOM 0 H GLU A 96 6.930 4.853 -7.490 1.00 0.00 H new ATOM 0 HA GLU A 96 5.497 6.910 -6.284 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.047 4.054 -5.426 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.932 5.109 -4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.752 4.347 -7.534 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.756 3.687 -6.252 1.00 0.00 H new ATOM 1295 N LEU A 97 7.938 5.788 -4.360 1.00 0.00 N ATOM 1296 CA LEU A 97 8.826 6.153 -3.270 1.00 0.00 C ATOM 1297 C LEU A 97 9.587 7.427 -3.643 1.00 0.00 C ATOM 1298 O LEU A 97 10.070 8.144 -2.768 1.00 0.00 O ATOM 1299 CB LEU A 97 9.735 4.979 -2.903 1.00 0.00 C ATOM 1300 CG LEU A 97 9.073 3.835 -2.130 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.157 4.374 -1.031 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.336 2.888 -3.078 1.00 0.00 C ATOM 0 H LEU A 97 8.048 4.832 -4.698 1.00 0.00 H new ATOM 0 HA LEU A 97 8.253 6.375 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.160 4.573 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.566 5.360 -2.309 1.00 0.00 H new ATOM 0 HG LEU A 97 9.856 3.255 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.700 3.541 -0.497 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.740 4.975 -0.333 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.377 4.991 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.875 2.084 -2.504 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.564 3.439 -3.615 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.043 2.464 -3.791 1.00 0.00 H new ATOM 1314 N ALA A 98 9.672 7.668 -4.943 1.00 0.00 N ATOM 1315 CA ALA A 98 10.366 8.843 -5.442 1.00 0.00 C ATOM 1316 C ALA A 98 9.362 9.771 -6.129 1.00 0.00 C ATOM 1317 O ALA A 98 9.410 9.953 -7.344 1.00 0.00 O ATOM 1318 CB ALA A 98 11.494 8.409 -6.380 1.00 0.00 C ATOM 0 H ALA A 98 9.272 7.070 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 98 10.819 9.398 -4.621 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.015 9.290 -6.755 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.196 7.776 -5.837 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.076 7.851 -7.218 1.00 0.00 H new ATOM 1324 N GLY A 99 8.475 10.333 -5.320 1.00 0.00 N ATOM 1325 CA GLY A 99 7.461 11.237 -5.835 1.00 0.00 C ATOM 1326 C GLY A 99 6.456 11.611 -4.744 1.00 0.00 C ATOM 1327 O GLY A 99 6.736 12.464 -3.903 1.00 0.00 O ATOM 0 H GLY A 99 8.438 10.180 -4.312 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.935 12.139 -6.222 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.940 10.768 -6.669 1.00 0.00 H new ATOM 1331 N PRO A 100 5.276 10.937 -4.794 1.00 0.00 N ATOM 1332 CA PRO A 100 4.227 11.190 -3.821 1.00 0.00 C ATOM 1333 C PRO A 100 4.570 10.559 -2.470 1.00 0.00 C ATOM 1334 O PRO A 100 4.460 11.209 -1.431 1.00 0.00 O ATOM 1335 CB PRO A 100 2.966 10.614 -4.443 1.00 0.00 C ATOM 1336 CG PRO A 100 3.435 9.653 -5.523 1.00 0.00 C ATOM 1337 CD PRO A 100 4.910 9.920 -5.776 1.00 0.00 C ATOM 0 HA PRO A 100 4.099 12.251 -3.606 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.363 10.098 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.344 11.403 -4.866 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.282 8.621 -5.208 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.859 9.796 -6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.504 9.015 -5.649 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.080 10.272 -6.793 1.00 0.00 H new ATOM 1345 N VAL A 101 4.978 9.300 -2.527 1.00 0.00 N ATOM 1346 CA VAL A 101 5.338 8.574 -1.321 1.00 0.00 C ATOM 1347 C VAL A 101 6.786 8.896 -0.949 1.00 0.00 C ATOM 1348 O VAL A 101 7.682 8.798 -1.786 1.00 0.00 O ATOM 1349 CB VAL A 101 5.090 7.077 -1.518 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.168 6.328 -0.186 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.748 6.829 -2.209 1.00 0.00 C ATOM 0 H VAL A 101 5.067 8.764 -3.390 1.00 0.00 H new ATOM 0 HA VAL A 101 4.711 8.887 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 101 5.876 6.690 -2.166 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.988 5.266 -0.355 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.158 6.464 0.250 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.414 6.720 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.597 5.757 -2.337 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.943 7.239 -1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.746 7.314 -3.185 1.00 0.00 H new ATOM 1361 N HIS A 102 6.971 9.275 0.307 1.00 0.00 N ATOM 1362 CA HIS A 102 8.295 9.613 0.800 1.00 0.00 C ATOM 1363 C HIS A 102 8.782 8.519 1.752 1.00 0.00 C ATOM 1364 O HIS A 102 9.951 8.137 1.718 1.00 0.00 O ATOM 1365 CB HIS A 102 8.298 11.002 1.441 1.00 0.00 C ATOM 1366 CG HIS A 102 8.057 12.129 0.465 1.00 0.00 C ATOM 1367 ND1 HIS A 102 8.358 13.449 0.755 1.00 0.00 N ATOM 1368 CD2 HIS A 102 7.544 12.120 -0.798 1.00 0.00 C ATOM 1369 CE1 HIS A 102 8.034 14.191 -0.293 1.00 0.00 C ATOM 1370 NE2 HIS A 102 7.530 13.366 -1.255 1.00 0.00 N ATOM 0 H HIS A 102 6.225 9.355 0.998 1.00 0.00 H new ATOM 0 HA HIS A 102 8.996 9.660 -0.033 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.531 11.035 2.215 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.257 11.161 1.935 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.206 11.247 -1.336 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.149 15.262 -0.372 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.197 13.658 -2.174 1.00 0.00 H new ATOM 1378 N ALA A 103 7.862 8.047 2.580 1.00 0.00 N ATOM 1379 CA ALA A 103 8.183 7.005 3.540 1.00 0.00 C ATOM 1380 C ALA A 103 7.005 6.034 3.646 1.00 0.00 C ATOM 1381 O ALA A 103 6.012 6.328 4.309 1.00 0.00 O ATOM 1382 CB ALA A 103 8.537 7.641 4.886 1.00 0.00 C ATOM 0 H ALA A 103 6.894 8.367 2.606 1.00 0.00 H new ATOM 0 HA ALA A 103 9.052 6.435 3.211 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.778 6.859 5.606 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.398 8.298 4.763 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.688 8.220 5.249 1.00 0.00 H new ATOM 1388 N LEU A 104 7.155 4.897 2.982 1.00 0.00 N ATOM 1389 CA LEU A 104 6.116 3.881 2.993 1.00 0.00 C ATOM 1390 C LEU A 104 6.644 2.626 3.690 1.00 0.00 C ATOM 1391 O LEU A 104 7.555 1.969 3.188 1.00 0.00 O ATOM 1392 CB LEU A 104 5.600 3.627 1.576 1.00 0.00 C ATOM 1393 CG LEU A 104 5.117 2.205 1.283 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.139 1.727 2.357 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.518 2.108 -0.122 1.00 0.00 C ATOM 0 H LEU A 104 7.980 4.657 2.433 1.00 0.00 H new ATOM 0 HA LEU A 104 5.253 4.224 3.564 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.778 4.316 1.381 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.395 3.872 0.872 1.00 0.00 H new ATOM 0 HG LEU A 104 5.979 1.538 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.811 0.714 2.125 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.633 1.735 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.275 2.391 2.384 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.183 1.087 -0.305 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.671 2.789 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.274 2.379 -0.859 1.00 0.00 H new ATOM 1407 N ALA A 105 6.049 2.329 4.836 1.00 0.00 N ATOM 1408 CA ALA A 105 6.447 1.164 5.607 1.00 0.00 C ATOM 1409 C ALA A 105 5.828 -0.090 4.986 1.00 0.00 C ATOM 1410 O ALA A 105 4.637 -0.347 5.155 1.00 0.00 O ATOM 1411 CB ALA A 105 6.038 1.354 7.069 1.00 0.00 C ATOM 0 H ALA A 105 5.294 2.876 5.249 1.00 0.00 H new ATOM 0 HA ALA A 105 7.530 1.042 5.585 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.337 0.480 7.647 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.528 2.240 7.472 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.957 1.478 7.131 1.00 0.00 H new ATOM 1417 N ILE A 106 6.664 -0.837 4.280 1.00 0.00 N ATOM 1418 CA ILE A 106 6.213 -2.057 3.633 1.00 0.00 C ATOM 1419 C ILE A 106 6.444 -3.243 4.572 1.00 0.00 C ATOM 1420 O ILE A 106 7.449 -3.293 5.278 1.00 0.00 O ATOM 1421 CB ILE A 106 6.880 -2.217 2.265 1.00 0.00 C ATOM 1422 CG1 ILE A 106 6.820 -0.911 1.470 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.272 -3.388 1.491 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.391 -1.099 0.063 1.00 0.00 C ATOM 0 H ILE A 106 7.651 -0.621 4.142 1.00 0.00 H new ATOM 0 HA ILE A 106 5.142 -2.010 3.436 1.00 0.00 H new ATOM 0 HB ILE A 106 7.933 -2.449 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.787 -0.568 1.404 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.381 -0.136 1.993 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.764 -3.479 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.411 -4.309 2.057 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.207 -3.211 1.341 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.336 -0.156 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.431 -1.418 0.132 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.813 -1.857 -0.466 1.00 0.00 H new ATOM 1436 N GLN A 107 5.495 -4.168 4.550 1.00 0.00 N ATOM 1437 CA GLN A 107 5.583 -5.349 5.391 1.00 0.00 C ATOM 1438 C GLN A 107 5.794 -6.597 4.532 1.00 0.00 C ATOM 1439 O GLN A 107 4.856 -7.096 3.912 1.00 0.00 O ATOM 1440 CB GLN A 107 4.337 -5.492 6.267 1.00 0.00 C ATOM 1441 CG GLN A 107 4.719 -5.739 7.728 1.00 0.00 C ATOM 1442 CD GLN A 107 4.039 -4.726 8.651 1.00 0.00 C ATOM 1443 OE1 GLN A 107 4.036 -3.530 8.409 1.00 0.00 O ATOM 1444 NE2 GLN A 107 3.463 -5.270 9.720 1.00 0.00 N ATOM 0 H GLN A 107 4.662 -4.123 3.963 1.00 0.00 H new ATOM 0 HA GLN A 107 6.442 -5.237 6.053 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.731 -4.589 6.194 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.725 -6.317 5.903 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.431 -6.750 8.017 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.801 -5.671 7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.503 -6.279 9.863 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.982 -4.678 10.397 1.00 0.00 H new ATOM 1453 N ALA A 108 7.034 -7.066 4.521 1.00 0.00 N ATOM 1454 CA ALA A 108 7.381 -8.247 3.748 1.00 0.00 C ATOM 1455 C ALA A 108 7.369 -9.472 4.664 1.00 0.00 C ATOM 1456 O ALA A 108 8.265 -9.643 5.490 1.00 0.00 O ATOM 1457 CB ALA A 108 8.738 -8.035 3.074 1.00 0.00 C ATOM 0 H ALA A 108 7.810 -6.649 5.035 1.00 0.00 H new ATOM 0 HA ALA A 108 6.649 -8.419 2.959 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.999 -8.920 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.684 -7.171 2.412 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.499 -7.863 3.835 1.00 0.00 H new ATOM 1463 N LYS A 109 6.345 -10.294 4.487 1.00 0.00 N ATOM 1464 CA LYS A 109 6.206 -11.499 5.287 1.00 0.00 C ATOM 1465 C LYS A 109 5.861 -12.676 4.373 1.00 0.00 C ATOM 1466 O LYS A 109 5.317 -12.485 3.286 1.00 0.00 O ATOM 1467 CB LYS A 109 5.195 -11.279 6.414 1.00 0.00 C ATOM 1468 CG LYS A 109 5.490 -9.983 7.172 1.00 0.00 C ATOM 1469 CD LYS A 109 5.409 -10.201 8.684 1.00 0.00 C ATOM 1470 CE LYS A 109 5.290 -8.868 9.424 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.720 -9.017 10.833 1.00 0.00 N ATOM 0 H LYS A 109 5.604 -10.149 3.801 1.00 0.00 H new ATOM 0 HA LYS A 109 7.149 -11.742 5.778 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.187 -11.241 6.001 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.225 -12.122 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.483 -9.620 6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.779 -9.213 6.873 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.550 -10.829 8.919 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.296 -10.733 9.026 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.902 -8.114 8.929 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.259 -8.516 9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.633 -8.103 11.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.119 -9.721 11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.711 -9.332 10.862 1.00 0.00 H new ATOM 1485 N THR A 110 6.193 -13.869 4.846 1.00 0.00 N ATOM 1486 CA THR A 110 5.925 -15.077 4.085 1.00 0.00 C ATOM 1487 C THR A 110 4.549 -15.640 4.444 1.00 0.00 C ATOM 1488 O THR A 110 3.968 -15.268 5.462 1.00 0.00 O ATOM 1489 CB THR A 110 7.070 -16.060 4.340 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.395 -15.864 5.714 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.350 -15.675 3.596 1.00 0.00 C ATOM 0 H THR A 110 6.645 -14.024 5.747 1.00 0.00 H new ATOM 0 HA THR A 110 5.887 -14.870 3.015 1.00 0.00 H new ATOM 0 HB THR A 110 6.763 -17.061 4.038 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.128 -16.464 5.966 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.130 -16.405 3.812 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.156 -15.657 2.524 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.677 -14.688 3.922 1.00 0.00 H new ATOM 1499 N PRO A 111 4.054 -16.552 3.565 1.00 0.00 N ATOM 1500 CA PRO A 111 2.757 -17.170 3.779 1.00 0.00 C ATOM 1501 C PRO A 111 2.828 -18.224 4.886 1.00 0.00 C ATOM 1502 O PRO A 111 1.826 -18.864 5.204 1.00 0.00 O ATOM 1503 CB PRO A 111 2.370 -17.752 2.429 1.00 0.00 C ATOM 1504 CG PRO A 111 3.660 -17.846 1.631 1.00 0.00 C ATOM 1505 CD PRO A 111 4.714 -17.017 2.348 1.00 0.00 C ATOM 0 HA PRO A 111 2.004 -16.460 4.122 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.910 -18.733 2.544 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.643 -17.116 1.923 1.00 0.00 H new ATOM 0 HG2 PRO A 111 3.982 -18.884 1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.509 -17.477 0.617 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.597 -17.613 2.579 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.046 -16.181 1.733 1.00 0.00 H new ATOM 1513 N ALA A 112 4.021 -18.373 5.442 1.00 0.00 N ATOM 1514 CA ALA A 112 4.236 -19.338 6.507 1.00 0.00 C ATOM 1515 C ALA A 112 4.349 -18.601 7.843 1.00 0.00 C ATOM 1516 O ALA A 112 4.127 -19.188 8.901 1.00 0.00 O ATOM 1517 CB ALA A 112 5.479 -20.174 6.195 1.00 0.00 C ATOM 0 H ALA A 112 4.849 -17.841 5.175 1.00 0.00 H new ATOM 0 HA ALA A 112 3.392 -20.024 6.580 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.640 -20.898 6.994 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.336 -20.701 5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.347 -19.520 6.117 1.00 0.00 H new ATOM 1523 N GLN A 113 4.695 -17.325 7.751 1.00 0.00 N ATOM 1524 CA GLN A 113 4.840 -16.502 8.939 1.00 0.00 C ATOM 1525 C GLN A 113 3.538 -15.751 9.227 1.00 0.00 C ATOM 1526 O GLN A 113 3.126 -15.636 10.380 1.00 0.00 O ATOM 1527 CB GLN A 113 6.013 -15.530 8.793 1.00 0.00 C ATOM 1528 CG GLN A 113 7.327 -16.284 8.584 1.00 0.00 C ATOM 1529 CD GLN A 113 7.925 -16.726 9.921 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.074 -15.949 10.850 1.00 0.00 O ATOM 1531 NE2 GLN A 113 8.256 -18.013 9.967 1.00 0.00 N ATOM 0 H GLN A 113 4.879 -16.841 6.872 1.00 0.00 H new ATOM 0 HA GLN A 113 5.055 -17.155 9.785 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.834 -14.863 7.950 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.086 -14.906 9.684 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.154 -17.156 7.953 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.037 -15.646 8.058 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.104 -18.608 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.662 -18.405 10.817 1.00 0.00 H new ATOM 1540 N TRP A 114 2.927 -15.260 8.159 1.00 0.00 N ATOM 1541 CA TRP A 114 1.681 -14.523 8.283 1.00 0.00 C ATOM 1542 C TRP A 114 0.692 -15.394 9.062 1.00 0.00 C ATOM 1543 O TRP A 114 -0.125 -14.881 9.824 1.00 0.00 O ATOM 1544 CB TRP A 114 1.154 -14.103 6.909 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.254 -13.503 6.940 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.424 -14.138 6.790 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.592 -12.114 7.139 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.488 -13.263 6.878 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.966 -11.994 7.097 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.235 -10.997 7.348 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.634 -10.774 7.256 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.448 -9.785 7.505 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.830 -9.647 7.465 1.00 0.00 C ATOM 0 H TRP A 114 3.272 -15.358 7.204 1.00 0.00 H new ATOM 0 HA TRP A 114 1.835 -13.594 8.832 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.839 -13.374 6.475 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.154 -14.971 6.250 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.522 -15.200 6.622 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.476 -13.504 6.797 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.312 -11.068 7.385 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.711 -10.706 7.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.141 -8.895 7.669 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.282 -8.675 7.595 1.00 0.00 H new ATOM 1564 N ARG A 115 0.800 -16.696 8.843 1.00 0.00 N ATOM 1565 CA ARG A 115 -0.074 -17.643 9.515 1.00 0.00 C ATOM 1566 C ARG A 115 0.138 -17.578 11.029 1.00 0.00 C ATOM 1567 O ARG A 115 -0.824 -17.503 11.791 1.00 0.00 O ATOM 1568 CB ARG A 115 0.185 -19.071 9.031 1.00 0.00 C ATOM 1569 CG ARG A 115 -0.288 -19.254 7.587 1.00 0.00 C ATOM 1570 CD ARG A 115 -0.257 -20.730 7.184 1.00 0.00 C ATOM 1571 NE ARG A 115 -1.422 -21.437 7.761 1.00 0.00 N ATOM 1572 CZ ARG A 115 -1.701 -22.729 7.541 1.00 0.00 C ATOM 1573 NH1 ARG A 115 -0.901 -23.463 6.756 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -2.780 -23.288 8.106 1.00 0.00 N ATOM 0 H ARG A 115 1.479 -17.118 8.210 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.103 -17.372 9.277 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.250 -19.295 9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.332 -19.778 9.679 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.301 -18.865 7.480 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.348 -18.676 6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 115 -0.269 -20.819 6.098 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.667 -21.191 7.532 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.052 -20.908 8.364 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.079 -23.038 6.326 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.113 -24.446 6.589 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.389 -22.730 8.704 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.992 -24.272 7.938 1.00 0.00 H new ATOM 1588 N GLU A 116 1.404 -17.611 11.419 1.00 0.00 N ATOM 1589 CA GLU A 116 1.754 -17.557 12.828 1.00 0.00 C ATOM 1590 C GLU A 116 1.189 -16.288 13.468 1.00 0.00 C ATOM 1591 O GLU A 116 0.592 -16.343 14.542 1.00 0.00 O ATOM 1592 CB GLU A 116 3.270 -17.639 13.020 1.00 0.00 C ATOM 1593 CG GLU A 116 3.641 -18.775 13.975 1.00 0.00 C ATOM 1594 CD GLU A 116 4.968 -18.487 14.681 1.00 0.00 C ATOM 1595 OE1 GLU A 116 5.971 -18.317 13.956 1.00 0.00 O ATOM 1596 OE2 GLU A 116 4.948 -18.442 15.930 1.00 0.00 O ATOM 0 H GLU A 116 2.200 -17.674 10.784 1.00 0.00 H new ATOM 0 HA GLU A 116 1.310 -18.420 13.325 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.754 -17.797 12.056 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.642 -16.693 13.413 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.852 -18.905 14.715 1.00 0.00 H new ATOM 0 HG3 GLU A 116 3.715 -19.711 13.421 1.00 0.00 H new ATOM 1603 N ASN A 117 1.396 -15.174 12.781 1.00 0.00 N ATOM 1604 CA ASN A 117 0.914 -13.893 13.268 1.00 0.00 C ATOM 1605 C ASN A 117 0.512 -13.018 12.079 1.00 0.00 C ATOM 1606 O ASN A 117 1.296 -12.188 11.622 1.00 0.00 O ATOM 1607 CB ASN A 117 2.003 -13.156 14.050 1.00 0.00 C ATOM 1608 CG ASN A 117 1.476 -11.834 14.612 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.388 -11.752 15.158 1.00 0.00 O ATOM 1610 ND2 ASN A 117 2.306 -10.808 14.447 1.00 0.00 N ATOM 0 H ASN A 117 1.891 -15.132 11.890 1.00 0.00 H new ATOM 0 HA ASN A 117 0.063 -14.080 13.923 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.359 -13.786 14.865 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.856 -12.964 13.399 1.00 0.00 H new ATOM 0 HD21 ASN A 117 2.046 -9.882 14.787 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.202 -10.947 13.981 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.742 -13.239 11.601 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.257 -12.481 10.474 1.00 0.00 C ATOM 1619 C PRO A 118 -1.632 -11.059 10.896 1.00 0.00 C ATOM 1620 O PRO A 118 -1.919 -10.212 10.051 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.446 -13.283 9.970 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.835 -14.211 11.109 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.698 -14.214 12.118 1.00 0.00 C ATOM 0 HA PRO A 118 -0.518 -12.349 9.683 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.274 -12.627 9.701 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.184 -13.850 9.076 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.760 -13.874 11.577 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.016 -15.219 10.735 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.049 -13.936 13.112 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.248 -15.203 12.204 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.617 -10.840 12.202 1.00 0.00 N ATOM 1632 CA GLN A 119 -1.952 -9.535 12.747 1.00 0.00 C ATOM 1633 C GLN A 119 -0.827 -8.537 12.462 1.00 0.00 C ATOM 1634 O GLN A 119 0.304 -8.727 12.907 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.239 -9.624 14.247 1.00 0.00 C ATOM 1636 CG GLN A 119 -2.709 -8.275 14.796 1.00 0.00 C ATOM 1637 CD GLN A 119 -4.016 -8.427 15.577 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -4.197 -9.341 16.364 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -4.915 -7.482 15.316 1.00 0.00 N ATOM 0 H GLN A 119 -1.378 -11.545 12.900 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.859 -9.180 12.258 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -3.001 -10.381 14.431 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.340 -9.942 14.775 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.940 -7.854 15.444 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.852 -7.573 13.974 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.699 -6.744 14.645 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.820 -7.495 15.786 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.177 -7.495 11.723 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.212 -6.467 11.374 1.00 0.00 C ATOM 1650 C LEU A 120 -0.105 -5.462 12.523 1.00 0.00 C ATOM 1651 O LEU A 120 -0.728 -5.641 13.568 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.571 -5.829 10.030 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.396 -6.718 8.797 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.308 -6.260 7.658 1.00 0.00 C ATOM 1655 CD2 LEU A 120 1.071 -6.778 8.368 1.00 0.00 C ATOM 0 H LEU A 120 -2.116 -7.341 11.356 1.00 0.00 H new ATOM 0 HA LEU A 120 0.778 -6.904 11.239 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.610 -5.501 10.072 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.040 -4.936 9.899 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.695 -7.732 9.062 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.164 -6.908 6.794 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.348 -6.311 7.981 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.063 -5.233 7.386 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.167 -7.416 7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.421 -5.774 8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.671 -7.186 9.181 1.00 0.00 H new