USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=11 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 Set 1.1: A 80 MET CE :methyl 140:sc= -5.67! (180deg=-10.8!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.233 K(o=-5.9,f=-8.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -54:sc= -0.0961 USER MOD Single : A 67 HIS :FLIP no HD1:sc= -0.96 F(o=-1.5,f=-0.96) USER MOD Single : A 74 SER OG : rot 180:sc= -1.7! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 86 HIS : no HD1:sc= -0.0733 X(o=-0.073,f=0) USER MOD Single : A 90 HIS : no HE2:sc= -3.18 K(o=-3.2,f=-3.9!) USER MOD Single : A 94 SER OG : rot 49:sc= 0.797 USER MOD Single : A 102 HIS :FLIP no HD1:sc= -3.43! C(o=-5.1!,f=-3.4!) USER MOD Single : A 107 GLN : amide:sc= -0.357 K(o=-0.36,f=-1.2) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -1.3 USER MOD Single : A 113 GLN : amide:sc= -0.14 K(o=-0.14,f=-2!) USER MOD Single : A 117 ASN : amide:sc=-0.00441 X(o=-0.0044,f=-0.45) USER MOD Single : A 119 GLN : amide:sc= -0.0154 X(o=-0.015,f=-0.023) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.051 6.520 -6.369 1.00 0.00 N ATOM 302 CA VAL A 32 -1.660 6.123 -6.226 1.00 0.00 C ATOM 303 C VAL A 32 -1.586 4.818 -5.430 1.00 0.00 C ATOM 304 O VAL A 32 -1.100 3.807 -5.933 1.00 0.00 O ATOM 305 CB VAL A 32 -0.854 7.257 -5.591 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.582 6.815 -5.303 1.00 0.00 C ATOM 307 CG2 VAL A 32 -0.876 8.507 -6.475 1.00 0.00 C ATOM 0 HA VAL A 32 -1.215 5.934 -7.203 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.324 7.510 -4.640 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.133 7.640 -4.852 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.571 5.968 -4.617 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.066 6.522 -6.234 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.296 9.298 -6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.443 8.273 -7.447 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.905 8.841 -6.607 1.00 0.00 H new ATOM 317 N GLU A 33 -2.076 4.884 -4.201 1.00 0.00 N ATOM 318 CA GLU A 33 -2.071 3.721 -3.330 1.00 0.00 C ATOM 319 C GLU A 33 -2.642 2.506 -4.064 1.00 0.00 C ATOM 320 O GLU A 33 -1.970 1.484 -4.194 1.00 0.00 O ATOM 321 CB GLU A 33 -2.849 3.998 -2.042 1.00 0.00 C ATOM 322 CG GLU A 33 -2.916 2.747 -1.162 1.00 0.00 C ATOM 323 CD GLU A 33 -4.195 2.736 -0.323 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.241 3.517 0.652 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.098 1.946 -0.674 1.00 0.00 O ATOM 0 H GLU A 33 -2.479 5.725 -3.788 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.040 3.503 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.372 4.809 -1.492 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.858 4.329 -2.287 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.879 1.855 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.046 2.712 -0.506 1.00 0.00 H new ATOM 332 N ALA A 34 -3.875 2.658 -4.525 1.00 0.00 N ATOM 333 CA ALA A 34 -4.543 1.586 -5.243 1.00 0.00 C ATOM 334 C ALA A 34 -3.554 0.932 -6.209 1.00 0.00 C ATOM 335 O ALA A 34 -3.402 -0.289 -6.216 1.00 0.00 O ATOM 336 CB ALA A 34 -5.776 2.142 -5.958 1.00 0.00 C ATOM 0 H ALA A 34 -4.429 3.508 -4.415 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.886 0.816 -4.552 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.277 1.338 -6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.460 2.569 -5.225 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.470 2.915 -6.663 1.00 0.00 H new ATOM 342 N ALA A 35 -2.906 1.772 -7.003 1.00 0.00 N ATOM 343 CA ALA A 35 -1.936 1.291 -7.971 1.00 0.00 C ATOM 344 C ALA A 35 -0.859 0.480 -7.248 1.00 0.00 C ATOM 345 O ALA A 35 -0.611 -0.675 -7.591 1.00 0.00 O ATOM 346 CB ALA A 35 -1.353 2.476 -8.743 1.00 0.00 C ATOM 0 H ALA A 35 -3.034 2.784 -6.995 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.413 0.632 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.625 2.114 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.154 3.001 -9.263 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.864 3.158 -8.048 1.00 0.00 H new ATOM 352 N ILE A 36 -0.248 1.116 -6.259 1.00 0.00 N ATOM 353 CA ILE A 36 0.796 0.469 -5.484 1.00 0.00 C ATOM 354 C ILE A 36 0.401 -0.985 -5.219 1.00 0.00 C ATOM 355 O ILE A 36 1.217 -1.892 -5.373 1.00 0.00 O ATOM 356 CB ILE A 36 1.094 1.267 -4.213 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.614 2.665 -4.553 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.054 0.504 -3.299 1.00 0.00 C ATOM 359 CD1 ILE A 36 2.054 3.408 -3.290 1.00 0.00 C ATOM 0 H ILE A 36 -0.457 2.074 -5.977 1.00 0.00 H new ATOM 0 HA ILE A 36 1.730 0.449 -6.045 1.00 0.00 H new ATOM 0 HB ILE A 36 0.161 1.396 -3.664 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.453 2.587 -5.244 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.835 3.233 -5.061 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.249 1.093 -2.403 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.607 -0.449 -3.016 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.991 0.323 -3.825 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.419 4.399 -3.559 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.207 3.506 -2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.850 2.849 -2.798 1.00 0.00 H new ATOM 371 N ARG A 37 -0.852 -1.162 -4.824 1.00 0.00 N ATOM 372 CA ARG A 37 -1.365 -2.490 -4.536 1.00 0.00 C ATOM 373 C ARG A 37 -1.599 -3.263 -5.836 1.00 0.00 C ATOM 374 O ARG A 37 -0.955 -4.281 -6.081 1.00 0.00 O ATOM 375 CB ARG A 37 -2.677 -2.416 -3.752 1.00 0.00 C ATOM 376 CG ARG A 37 -2.980 -3.747 -3.063 1.00 0.00 C ATOM 377 CD ARG A 37 -4.448 -4.138 -3.247 1.00 0.00 C ATOM 378 NE ARG A 37 -4.820 -4.050 -4.677 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.082 -4.007 -5.124 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.102 -4.045 -4.255 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.325 -3.927 -6.439 1.00 0.00 N ATOM 0 H ARG A 37 -1.526 -0.407 -4.697 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.621 -3.008 -3.930 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.615 -1.623 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.493 -2.157 -4.426 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.338 -4.527 -3.473 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.751 -3.671 -2.000 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.611 -5.152 -2.882 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -5.085 -3.480 -2.656 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.068 -4.020 -5.365 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.917 -4.107 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.063 -4.012 -4.595 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.549 -3.899 -7.100 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.286 -3.894 -6.779 1.00 0.00 H new ATOM 395 N ALA A 38 -2.523 -2.749 -6.634 1.00 0.00 N ATOM 396 CA ALA A 38 -2.850 -3.377 -7.902 1.00 0.00 C ATOM 397 C ALA A 38 -1.564 -3.865 -8.572 1.00 0.00 C ATOM 398 O ALA A 38 -1.552 -4.916 -9.211 1.00 0.00 O ATOM 399 CB ALA A 38 -3.624 -2.389 -8.778 1.00 0.00 C ATOM 0 H ALA A 38 -3.056 -1.904 -6.427 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.490 -4.245 -7.745 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.869 -2.861 -9.729 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.543 -2.096 -8.271 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.012 -1.506 -8.958 1.00 0.00 H new ATOM 405 N LYS A 39 -0.511 -3.079 -8.401 1.00 0.00 N ATOM 406 CA LYS A 39 0.778 -3.418 -8.981 1.00 0.00 C ATOM 407 C LYS A 39 1.343 -4.650 -8.271 1.00 0.00 C ATOM 408 O LYS A 39 1.393 -5.735 -8.848 1.00 0.00 O ATOM 409 CB LYS A 39 1.713 -2.208 -8.951 1.00 0.00 C ATOM 410 CG LYS A 39 1.307 -1.174 -10.003 1.00 0.00 C ATOM 411 CD LYS A 39 2.220 -1.250 -11.228 1.00 0.00 C ATOM 412 CE LYS A 39 1.599 -0.521 -12.421 1.00 0.00 C ATOM 413 NZ LYS A 39 1.415 -1.451 -13.558 1.00 0.00 N ATOM 0 H LYS A 39 -0.524 -2.209 -7.869 1.00 0.00 H new ATOM 0 HA LYS A 39 0.666 -3.679 -10.033 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.692 -1.752 -7.961 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.738 -2.532 -9.131 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.273 -1.343 -10.304 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.354 -0.174 -9.572 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.189 -0.809 -10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.399 -2.293 -11.488 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.638 -0.094 -12.134 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.239 0.308 -12.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.993 -0.940 -14.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.337 -1.839 -13.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.786 -2.228 -13.272 1.00 0.00 H new ATOM 427 N LEU A 40 1.755 -4.441 -7.029 1.00 0.00 N ATOM 428 CA LEU A 40 2.315 -5.521 -6.235 1.00 0.00 C ATOM 429 C LEU A 40 1.403 -6.745 -6.331 1.00 0.00 C ATOM 430 O LEU A 40 1.854 -7.876 -6.154 1.00 0.00 O ATOM 431 CB LEU A 40 2.569 -5.055 -4.800 1.00 0.00 C ATOM 432 CG LEU A 40 3.532 -3.877 -4.638 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.721 -3.522 -3.162 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.865 -4.158 -5.335 1.00 0.00 C ATOM 0 H LEU A 40 1.712 -3.540 -6.553 1.00 0.00 H new ATOM 0 HA LEU A 40 3.288 -5.817 -6.627 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.613 -4.781 -4.353 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.958 -5.898 -4.229 1.00 0.00 H new ATOM 0 HG LEU A 40 3.091 -3.007 -5.125 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.410 -2.682 -3.075 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.759 -3.249 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.129 -4.382 -2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.531 -3.305 -5.204 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.323 -5.046 -4.899 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.692 -4.324 -6.398 1.00 0.00 H new ATOM 446 N GLU A 41 0.135 -6.478 -6.611 1.00 0.00 N ATOM 447 CA GLU A 41 -0.845 -7.544 -6.733 1.00 0.00 C ATOM 448 C GLU A 41 -0.483 -8.467 -7.899 1.00 0.00 C ATOM 449 O GLU A 41 -0.586 -9.687 -7.784 1.00 0.00 O ATOM 450 CB GLU A 41 -2.255 -6.976 -6.901 1.00 0.00 C ATOM 451 CG GLU A 41 -2.935 -6.786 -5.543 1.00 0.00 C ATOM 452 CD GLU A 41 -4.435 -6.539 -5.711 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.809 -6.029 -6.789 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.174 -6.865 -4.757 1.00 0.00 O ATOM 0 H GLU A 41 -0.236 -5.539 -6.757 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.832 -8.130 -5.814 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.206 -6.021 -7.424 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.850 -7.648 -7.519 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.775 -7.670 -4.925 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.481 -5.945 -5.019 1.00 0.00 H new ATOM 461 N GLN A 42 -0.067 -7.848 -8.994 1.00 0.00 N ATOM 462 CA GLN A 42 0.310 -8.599 -10.180 1.00 0.00 C ATOM 463 C GLN A 42 1.833 -8.627 -10.328 1.00 0.00 C ATOM 464 O GLN A 42 2.360 -9.272 -11.233 1.00 0.00 O ATOM 465 CB GLN A 42 -0.352 -8.017 -11.431 1.00 0.00 C ATOM 466 CG GLN A 42 0.005 -6.539 -11.602 1.00 0.00 C ATOM 467 CD GLN A 42 -0.473 -6.013 -12.958 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.514 -5.389 -13.078 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.344 -6.300 -13.968 1.00 0.00 N ATOM 0 H GLN A 42 0.017 -6.836 -9.085 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.044 -9.624 -10.065 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.032 -8.576 -12.310 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.434 -8.128 -11.359 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.450 -5.956 -10.801 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.084 -6.410 -11.517 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.201 -6.827 -13.797 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.114 -5.993 -14.913 1.00 0.00 H new ATOM 478 N ALA A 43 2.496 -7.920 -9.425 1.00 0.00 N ATOM 479 CA ALA A 43 3.948 -7.856 -9.444 1.00 0.00 C ATOM 480 C ALA A 43 4.511 -8.845 -8.421 1.00 0.00 C ATOM 481 O ALA A 43 5.721 -9.058 -8.359 1.00 0.00 O ATOM 482 CB ALA A 43 4.399 -6.419 -9.176 1.00 0.00 C ATOM 0 H ALA A 43 2.055 -7.387 -8.676 1.00 0.00 H new ATOM 0 HA ALA A 43 4.332 -8.141 -10.423 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.488 -6.371 -9.190 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.997 -5.762 -9.947 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.034 -6.099 -8.200 1.00 0.00 H new ATOM 488 N LEU A 44 3.606 -9.422 -7.644 1.00 0.00 N ATOM 489 CA LEU A 44 3.998 -10.383 -6.626 1.00 0.00 C ATOM 490 C LEU A 44 2.894 -11.430 -6.469 1.00 0.00 C ATOM 491 O LEU A 44 3.170 -12.628 -6.434 1.00 0.00 O ATOM 492 CB LEU A 44 4.356 -9.667 -5.323 1.00 0.00 C ATOM 493 CG LEU A 44 5.517 -8.673 -5.400 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.541 -7.762 -4.172 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.848 -9.400 -5.602 1.00 0.00 C ATOM 0 H LEU A 44 2.603 -9.243 -7.699 1.00 0.00 H new ATOM 0 HA LEU A 44 4.901 -10.913 -6.929 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.472 -9.136 -4.969 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.598 -10.420 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 44 5.364 -8.035 -6.270 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.376 -7.065 -4.252 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.607 -7.204 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.658 -8.367 -3.273 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.657 -8.671 -5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.023 -10.078 -4.766 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.814 -9.970 -6.530 1.00 0.00 H new ATOM 507 N SER A 45 1.666 -10.941 -6.379 1.00 0.00 N ATOM 508 CA SER A 45 0.519 -11.820 -6.227 1.00 0.00 C ATOM 509 C SER A 45 0.651 -12.634 -4.938 1.00 0.00 C ATOM 510 O SER A 45 0.670 -13.863 -4.975 1.00 0.00 O ATOM 511 CB SER A 45 0.376 -12.753 -7.431 1.00 0.00 C ATOM 512 OG SER A 45 -0.979 -12.874 -7.855 1.00 0.00 O ATOM 0 H SER A 45 1.440 -9.947 -6.408 1.00 0.00 H new ATOM 0 HA SER A 45 -0.378 -11.204 -6.171 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.981 -12.376 -8.255 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.765 -13.738 -7.174 1.00 0.00 H new ATOM 0 HG SER A 45 -1.028 -13.476 -8.626 1.00 0.00 H new ATOM 518 N PRO A 46 0.741 -11.896 -3.799 1.00 0.00 N ATOM 519 CA PRO A 46 0.871 -12.536 -2.501 1.00 0.00 C ATOM 520 C PRO A 46 -0.463 -13.134 -2.049 1.00 0.00 C ATOM 521 O PRO A 46 -1.454 -13.069 -2.774 1.00 0.00 O ATOM 522 CB PRO A 46 1.377 -11.443 -1.573 1.00 0.00 C ATOM 523 CG PRO A 46 1.070 -10.128 -2.270 1.00 0.00 C ATOM 524 CD PRO A 46 0.722 -10.438 -3.717 1.00 0.00 C ATOM 0 HA PRO A 46 1.561 -13.380 -2.515 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.883 -11.495 -0.603 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.447 -11.549 -1.392 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.241 -9.620 -1.778 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.929 -9.459 -2.219 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.257 -10.039 -3.983 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.444 -9.993 -4.402 1.00 0.00 H new ATOM 532 N GLU A 47 -0.444 -13.703 -0.853 1.00 0.00 N ATOM 533 CA GLU A 47 -1.639 -14.313 -0.295 1.00 0.00 C ATOM 534 C GLU A 47 -2.432 -13.284 0.514 1.00 0.00 C ATOM 535 O GLU A 47 -3.624 -13.463 0.755 1.00 0.00 O ATOM 536 CB GLU A 47 -1.286 -15.530 0.562 1.00 0.00 C ATOM 537 CG GLU A 47 -0.508 -16.566 -0.252 1.00 0.00 C ATOM 538 CD GLU A 47 -1.407 -17.739 -0.650 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.187 -18.177 0.223 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.293 -18.171 -1.817 1.00 0.00 O ATOM 0 H GLU A 47 0.380 -13.755 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.264 -14.659 -1.118 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.692 -15.215 1.420 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.198 -15.980 0.954 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.098 -16.097 -1.147 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.337 -16.932 0.331 1.00 0.00 H new ATOM 547 N VAL A 48 -1.736 -12.229 0.912 1.00 0.00 N ATOM 548 CA VAL A 48 -2.360 -11.171 1.690 1.00 0.00 C ATOM 549 C VAL A 48 -1.653 -9.846 1.398 1.00 0.00 C ATOM 550 O VAL A 48 -0.545 -9.611 1.877 1.00 0.00 O ATOM 551 CB VAL A 48 -2.352 -11.539 3.175 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.183 -10.547 3.990 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.845 -12.972 3.387 1.00 0.00 C ATOM 0 H VAL A 48 -0.747 -12.084 0.711 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.405 -11.052 1.405 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.322 -11.483 3.529 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.161 -10.832 5.042 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.769 -9.545 3.876 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.213 -10.556 3.634 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.830 -13.208 4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.863 -13.066 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.194 -13.664 2.852 1.00 0.00 H new ATOM 563 N LEU A 49 -2.324 -9.014 0.615 1.00 0.00 N ATOM 564 CA LEU A 49 -1.774 -7.719 0.254 1.00 0.00 C ATOM 565 C LEU A 49 -2.653 -6.614 0.846 1.00 0.00 C ATOM 566 O LEU A 49 -3.572 -6.128 0.189 1.00 0.00 O ATOM 567 CB LEU A 49 -1.596 -7.616 -1.262 1.00 0.00 C ATOM 568 CG LEU A 49 -0.237 -7.102 -1.744 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.098 -7.259 -3.259 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.006 -5.658 -1.294 1.00 0.00 C ATOM 0 H LEU A 49 -3.244 -9.212 0.221 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.777 -7.597 0.678 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.764 -8.602 -1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.371 -6.958 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 49 0.541 -7.711 -1.284 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.876 -6.886 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.188 -8.312 -3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.883 -6.691 -3.757 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.966 -5.317 -1.649 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.787 -5.019 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.032 -5.607 -0.205 1.00 0.00 H new ATOM 582 N GLU A 50 -2.338 -6.250 2.080 1.00 0.00 N ATOM 583 CA GLU A 50 -3.087 -5.212 2.768 1.00 0.00 C ATOM 584 C GLU A 50 -2.423 -3.850 2.557 1.00 0.00 C ATOM 585 O GLU A 50 -1.197 -3.745 2.562 1.00 0.00 O ATOM 586 CB GLU A 50 -3.223 -5.530 4.259 1.00 0.00 C ATOM 587 CG GLU A 50 -4.376 -6.505 4.508 1.00 0.00 C ATOM 588 CD GLU A 50 -5.716 -5.769 4.557 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.068 -5.304 5.663 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.358 -5.687 3.488 1.00 0.00 O ATOM 0 H GLU A 50 -1.574 -6.655 2.621 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.091 -5.175 2.345 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.292 -5.960 4.629 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.393 -4.609 4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.398 -7.256 3.719 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.213 -7.034 5.447 1.00 0.00 H new ATOM 597 N LEU A 51 -3.262 -2.840 2.376 1.00 0.00 N ATOM 598 CA LEU A 51 -2.772 -1.489 2.163 1.00 0.00 C ATOM 599 C LEU A 51 -3.783 -0.490 2.728 1.00 0.00 C ATOM 600 O LEU A 51 -4.979 -0.594 2.461 1.00 0.00 O ATOM 601 CB LEU A 51 -2.444 -1.264 0.685 1.00 0.00 C ATOM 602 CG LEU A 51 -2.022 0.155 0.300 1.00 0.00 C ATOM 603 CD1 LEU A 51 -1.144 0.780 1.386 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.339 0.171 -1.069 1.00 0.00 C ATOM 0 H LEU A 51 -4.278 -2.931 2.373 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.836 -1.334 2.700 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.644 -1.949 0.402 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.319 -1.534 0.094 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.919 0.768 0.220 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.858 1.788 1.087 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.699 0.823 2.323 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.248 0.174 1.523 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.049 1.192 -1.319 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.452 -0.462 -1.040 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.029 -0.205 -1.824 1.00 0.00 H new ATOM 616 N ARG A 52 -3.265 0.456 3.497 1.00 0.00 N ATOM 617 CA ARG A 52 -4.108 1.474 4.102 1.00 0.00 C ATOM 618 C ARG A 52 -3.328 2.780 4.267 1.00 0.00 C ATOM 619 O ARG A 52 -2.130 2.831 3.992 1.00 0.00 O ATOM 620 CB ARG A 52 -4.625 1.020 5.469 1.00 0.00 C ATOM 621 CG ARG A 52 -5.384 -0.303 5.356 1.00 0.00 C ATOM 622 CD ARG A 52 -6.711 -0.113 4.618 1.00 0.00 C ATOM 623 NE ARG A 52 -7.780 0.233 5.580 1.00 0.00 N ATOM 624 CZ ARG A 52 -8.429 -0.662 6.337 1.00 0.00 C ATOM 625 NH1 ARG A 52 -8.121 -1.963 6.247 1.00 0.00 N ATOM 626 NH2 ARG A 52 -9.386 -0.257 7.183 1.00 0.00 N ATOM 0 H ARG A 52 -2.272 0.539 3.715 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.959 1.636 3.440 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.789 0.906 6.159 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.280 1.785 5.886 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.771 -1.034 4.828 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.572 -0.705 6.352 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.612 0.676 3.872 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.973 -1.026 4.083 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.040 1.215 5.673 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.393 -2.271 5.603 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.615 -2.645 6.823 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.621 0.733 7.251 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.880 -0.939 7.759 1.00 0.00 H new ATOM 794 N THR A 66 2.269 10.697 1.985 1.00 0.00 N ATOM 795 CA THR A 66 3.692 10.423 2.083 1.00 0.00 C ATOM 796 C THR A 66 3.942 9.212 2.984 1.00 0.00 C ATOM 797 O THR A 66 4.764 8.355 2.664 1.00 0.00 O ATOM 798 CB THR A 66 4.386 11.697 2.571 1.00 0.00 C ATOM 799 OG1 THR A 66 3.948 11.836 3.919 1.00 0.00 O ATOM 800 CG2 THR A 66 3.859 12.954 1.876 1.00 0.00 C ATOM 0 HA THR A 66 4.111 10.158 1.112 1.00 0.00 H new ATOM 0 HB THR A 66 5.460 11.613 2.403 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.968 11.827 3.947 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.385 13.829 2.259 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.025 12.872 0.802 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.792 13.058 2.072 1.00 0.00 H new ATOM 808 N HIS A 67 3.217 9.180 4.093 1.00 0.00 N ATOM 809 CA HIS A 67 3.350 8.088 5.042 1.00 0.00 C ATOM 810 C HIS A 67 2.292 7.023 4.750 1.00 0.00 C ATOM 811 O HIS A 67 1.099 7.260 4.936 1.00 0.00 O ATOM 812 CB HIS A 67 3.287 8.608 6.480 1.00 0.00 C ATOM 813 CG HIS A 67 4.629 8.999 7.051 1.00 0.00 C ATOM 814 ND1 HIS A 67 5.786 9.371 6.433 1.00 0.00 N flip ATOM 815 CD2 HIS A 67 4.884 9.033 8.411 1.00 0.00 C flip ATOM 816 CE1 HIS A 67 6.698 9.621 7.364 1.00 0.00 C flip ATOM 817 NE2 HIS A 67 6.141 9.411 8.591 1.00 0.00 N flip ATOM 0 H HIS A 67 2.536 9.893 4.355 1.00 0.00 H new ATOM 0 HA HIS A 67 4.328 7.620 4.929 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.623 9.472 6.514 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.844 7.840 7.114 1.00 0.00 H new ATOM 0 HD2 HIS A 67 4.178 8.792 9.192 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.714 9.938 7.180 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.610 9.525 9.490 1.00 0.00 H new ATOM 825 N PHE A 68 2.767 5.872 4.297 1.00 0.00 N ATOM 826 CA PHE A 68 1.876 4.769 3.977 1.00 0.00 C ATOM 827 C PHE A 68 2.301 3.492 4.705 1.00 0.00 C ATOM 828 O PHE A 68 3.332 3.469 5.375 1.00 0.00 O ATOM 829 CB PHE A 68 1.974 4.538 2.468 1.00 0.00 C ATOM 830 CG PHE A 68 0.929 5.301 1.652 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.382 4.946 1.725 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.311 6.335 0.855 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.352 5.655 0.968 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.340 7.043 0.098 1.00 0.00 C ATOM 835 CZ PHE A 68 -0.971 6.688 0.170 1.00 0.00 C ATOM 0 H PHE A 68 3.757 5.679 4.144 1.00 0.00 H new ATOM 0 HA PHE A 68 0.859 5.010 4.286 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.968 4.830 2.130 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.870 3.472 2.267 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.685 4.125 2.358 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.352 6.617 0.798 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.393 5.374 1.026 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.643 7.864 -0.535 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.709 7.226 -0.406 1.00 0.00 H new ATOM 845 N ARG A 69 1.485 2.460 4.549 1.00 0.00 N ATOM 846 CA ARG A 69 1.763 1.183 5.183 1.00 0.00 C ATOM 847 C ARG A 69 1.147 0.042 4.371 1.00 0.00 C ATOM 848 O ARG A 69 -0.074 -0.060 4.264 1.00 0.00 O ATOM 849 CB ARG A 69 1.208 1.143 6.608 1.00 0.00 C ATOM 850 CG ARG A 69 2.300 0.768 7.612 1.00 0.00 C ATOM 851 CD ARG A 69 2.277 1.704 8.822 1.00 0.00 C ATOM 852 NE ARG A 69 3.164 2.864 8.581 1.00 0.00 N ATOM 853 CZ ARG A 69 3.565 3.714 9.536 1.00 0.00 C ATOM 854 NH1 ARG A 69 3.161 3.539 10.802 1.00 0.00 N ATOM 855 NH2 ARG A 69 4.371 4.739 9.226 1.00 0.00 N ATOM 0 H ARG A 69 0.631 2.482 3.992 1.00 0.00 H new ATOM 0 HA ARG A 69 2.845 1.062 5.223 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.790 2.116 6.867 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.394 0.421 6.665 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.158 -0.261 7.941 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.276 0.817 7.129 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.259 2.046 9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.601 1.167 9.714 1.00 0.00 H new ATOM 0 HE ARG A 69 3.490 3.027 7.628 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.548 2.759 11.039 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.466 4.186 11.529 1.00 0.00 H new ATOM 0 HH21 ARG A 69 4.679 4.872 8.263 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.676 5.386 9.953 1.00 0.00 H new ATOM 869 N VAL A 70 2.021 -0.788 3.820 1.00 0.00 N ATOM 870 CA VAL A 70 1.579 -1.918 3.021 1.00 0.00 C ATOM 871 C VAL A 70 2.041 -3.218 3.683 1.00 0.00 C ATOM 872 O VAL A 70 3.143 -3.284 4.225 1.00 0.00 O ATOM 873 CB VAL A 70 2.079 -1.769 1.583 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.443 -2.438 1.405 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.060 -2.329 0.588 1.00 0.00 C ATOM 0 H VAL A 70 3.033 -0.700 3.911 1.00 0.00 H new ATOM 0 HA VAL A 70 0.491 -1.948 2.971 1.00 0.00 H new ATOM 0 HB VAL A 70 2.198 -0.705 1.378 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.776 -2.318 0.374 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.166 -1.974 2.076 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.361 -3.500 1.638 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.440 -2.211 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.895 -3.387 0.793 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.119 -1.789 0.688 1.00 0.00 H new ATOM 885 N ALA A 71 1.175 -4.218 3.618 1.00 0.00 N ATOM 886 CA ALA A 71 1.480 -5.512 4.204 1.00 0.00 C ATOM 887 C ALA A 71 1.373 -6.593 3.128 1.00 0.00 C ATOM 888 O ALA A 71 0.275 -7.040 2.799 1.00 0.00 O ATOM 889 CB ALA A 71 0.544 -5.771 5.386 1.00 0.00 C ATOM 0 H ALA A 71 0.261 -4.158 3.168 1.00 0.00 H new ATOM 0 HA ALA A 71 2.500 -5.528 4.587 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.773 -6.742 5.825 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.681 -4.992 6.136 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.490 -5.764 5.040 1.00 0.00 H new ATOM 895 N VAL A 72 2.527 -6.983 2.608 1.00 0.00 N ATOM 896 CA VAL A 72 2.577 -8.004 1.575 1.00 0.00 C ATOM 897 C VAL A 72 2.817 -9.369 2.224 1.00 0.00 C ATOM 898 O VAL A 72 3.554 -9.474 3.203 1.00 0.00 O ATOM 899 CB VAL A 72 3.637 -7.643 0.533 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.043 -7.719 1.131 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.518 -8.537 -0.703 1.00 0.00 C ATOM 0 H VAL A 72 3.436 -6.610 2.883 1.00 0.00 H new ATOM 0 HA VAL A 72 1.626 -8.058 1.046 1.00 0.00 H new ATOM 0 HB VAL A 72 3.462 -6.614 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.777 -7.458 0.369 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.122 -7.022 1.965 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.233 -8.732 1.486 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.283 -8.259 -1.428 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.654 -9.579 -0.413 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.532 -8.411 -1.150 1.00 0.00 H new ATOM 911 N VAL A 73 2.180 -10.380 1.652 1.00 0.00 N ATOM 912 CA VAL A 73 2.315 -11.734 2.162 1.00 0.00 C ATOM 913 C VAL A 73 2.537 -12.695 0.993 1.00 0.00 C ATOM 914 O VAL A 73 1.586 -13.279 0.475 1.00 0.00 O ATOM 915 CB VAL A 73 1.095 -12.097 3.012 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.182 -13.543 3.505 1.00 0.00 C ATOM 917 CG2 VAL A 73 0.934 -11.126 4.183 1.00 0.00 C ATOM 0 H VAL A 73 1.569 -10.289 0.840 1.00 0.00 H new ATOM 0 HA VAL A 73 3.184 -11.811 2.815 1.00 0.00 H new ATOM 0 HB VAL A 73 0.209 -12.011 2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.303 -13.776 4.106 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.225 -14.217 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.080 -13.668 4.111 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.060 -11.407 4.771 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.823 -11.165 4.813 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.805 -10.113 3.801 1.00 0.00 H new ATOM 927 N SER A 74 3.799 -12.831 0.611 1.00 0.00 N ATOM 928 CA SER A 74 4.157 -13.712 -0.487 1.00 0.00 C ATOM 929 C SER A 74 5.337 -14.599 -0.083 1.00 0.00 C ATOM 930 O SER A 74 6.026 -14.313 0.895 1.00 0.00 O ATOM 931 CB SER A 74 4.502 -12.911 -1.745 1.00 0.00 C ATOM 932 OG SER A 74 3.668 -13.261 -2.846 1.00 0.00 O ATOM 0 H SER A 74 4.586 -12.346 1.043 1.00 0.00 H new ATOM 0 HA SER A 74 3.297 -14.343 -0.714 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.399 -11.846 -1.536 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.545 -13.084 -2.011 1.00 0.00 H new ATOM 0 HG SER A 74 3.918 -12.727 -3.629 1.00 0.00 H new ATOM 938 N SER A 75 5.532 -15.657 -0.856 1.00 0.00 N ATOM 939 CA SER A 75 6.616 -16.588 -0.590 1.00 0.00 C ATOM 940 C SER A 75 7.911 -16.077 -1.225 1.00 0.00 C ATOM 941 O SER A 75 8.981 -16.639 -0.997 1.00 0.00 O ATOM 942 CB SER A 75 6.282 -17.986 -1.115 1.00 0.00 C ATOM 943 OG SER A 75 6.293 -18.038 -2.539 1.00 0.00 O ATOM 0 H SER A 75 4.958 -15.890 -1.666 1.00 0.00 H new ATOM 0 HA SER A 75 6.751 -16.658 0.489 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.002 -18.703 -0.720 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.300 -18.286 -0.749 1.00 0.00 H new ATOM 0 HG SER A 75 6.077 -18.947 -2.835 1.00 0.00 H new ATOM 949 N ARG A 76 7.771 -15.018 -2.009 1.00 0.00 N ATOM 950 CA ARG A 76 8.917 -14.426 -2.678 1.00 0.00 C ATOM 951 C ARG A 76 10.003 -14.074 -1.659 1.00 0.00 C ATOM 952 O ARG A 76 11.192 -14.229 -1.935 1.00 0.00 O ATOM 953 CB ARG A 76 8.516 -13.163 -3.442 1.00 0.00 C ATOM 954 CG ARG A 76 7.646 -13.507 -4.653 1.00 0.00 C ATOM 955 CD ARG A 76 8.489 -13.592 -5.927 1.00 0.00 C ATOM 956 NE ARG A 76 9.647 -14.487 -5.709 1.00 0.00 N ATOM 957 CZ ARG A 76 9.594 -15.822 -5.808 1.00 0.00 C ATOM 958 NH1 ARG A 76 8.439 -16.425 -6.122 1.00 0.00 N ATOM 959 NH2 ARG A 76 10.696 -16.554 -5.593 1.00 0.00 N ATOM 0 H ARG A 76 6.882 -14.555 -2.196 1.00 0.00 H new ATOM 0 HA ARG A 76 9.303 -15.159 -3.387 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.973 -12.490 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.410 -12.633 -3.771 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.140 -14.457 -4.483 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.871 -12.750 -4.775 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.881 -13.965 -6.751 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.835 -12.598 -6.211 1.00 0.00 H new ATOM 0 HE ARG A 76 10.542 -14.061 -5.468 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.601 -15.868 -6.286 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.398 -17.441 -6.197 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.575 -16.095 -5.354 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.656 -17.570 -5.668 1.00 0.00 H new ATOM 973 N PHE A 77 9.556 -13.608 -0.502 1.00 0.00 N ATOM 974 CA PHE A 77 10.475 -13.234 0.559 1.00 0.00 C ATOM 975 C PHE A 77 10.771 -14.424 1.474 1.00 0.00 C ATOM 976 O PHE A 77 10.856 -14.270 2.691 1.00 0.00 O ATOM 977 CB PHE A 77 9.791 -12.136 1.376 1.00 0.00 C ATOM 978 CG PHE A 77 9.000 -11.134 0.533 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.649 -10.314 -0.336 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.647 -11.064 0.652 1.00 0.00 C ATOM 981 CE1 PHE A 77 8.915 -9.384 -1.118 1.00 0.00 C ATOM 982 CE2 PHE A 77 6.912 -10.134 -0.130 1.00 0.00 C ATOM 983 CZ PHE A 77 7.562 -9.314 -0.999 1.00 0.00 C ATOM 0 H PHE A 77 8.569 -13.481 -0.276 1.00 0.00 H new ATOM 0 HA PHE A 77 11.419 -12.896 0.131 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.118 -12.600 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.547 -11.598 1.947 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.723 -10.370 -0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.131 -11.716 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.431 -8.732 -1.807 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.838 -10.078 -0.035 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.004 -8.607 -1.595 1.00 0.00 H new ATOM 993 N GLU A 78 10.921 -15.585 0.852 1.00 0.00 N ATOM 994 CA GLU A 78 11.206 -16.800 1.594 1.00 0.00 C ATOM 995 C GLU A 78 12.692 -16.869 1.949 1.00 0.00 C ATOM 996 O GLU A 78 13.462 -17.559 1.282 1.00 0.00 O ATOM 997 CB GLU A 78 10.772 -18.038 0.807 1.00 0.00 C ATOM 998 CG GLU A 78 9.432 -18.571 1.317 1.00 0.00 C ATOM 999 CD GLU A 78 9.429 -20.101 1.354 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.362 -20.656 1.974 1.00 0.00 O ATOM 1001 OE2 GLU A 78 8.493 -20.681 0.762 1.00 0.00 O ATOM 0 H GLU A 78 10.850 -15.709 -0.158 1.00 0.00 H new ATOM 0 HA GLU A 78 10.632 -16.780 2.520 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.690 -17.790 -0.251 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.533 -18.814 0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.237 -18.179 2.315 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.627 -18.218 0.673 1.00 0.00 H new ATOM 1008 N GLY A 79 13.052 -16.146 2.999 1.00 0.00 N ATOM 1009 CA GLY A 79 14.432 -16.116 3.451 1.00 0.00 C ATOM 1010 C GLY A 79 15.241 -15.077 2.673 1.00 0.00 C ATOM 1011 O GLY A 79 16.442 -15.247 2.466 1.00 0.00 O ATOM 0 H GLY A 79 12.411 -15.576 3.550 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.465 -15.885 4.516 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.881 -17.101 3.325 1.00 0.00 H new ATOM 1015 N MET A 80 14.552 -14.022 2.263 1.00 0.00 N ATOM 1016 CA MET A 80 15.191 -12.955 1.513 1.00 0.00 C ATOM 1017 C MET A 80 15.703 -11.857 2.448 1.00 0.00 C ATOM 1018 O MET A 80 15.282 -11.773 3.600 1.00 0.00 O ATOM 1019 CB MET A 80 14.191 -12.357 0.522 1.00 0.00 C ATOM 1020 CG MET A 80 14.339 -12.996 -0.860 1.00 0.00 C ATOM 1021 SD MET A 80 13.178 -12.262 -2.000 1.00 0.00 S ATOM 1022 CE MET A 80 14.290 -11.254 -2.967 1.00 0.00 C ATOM 0 H MET A 80 13.556 -13.884 2.437 1.00 0.00 H new ATOM 0 HA MET A 80 16.042 -13.374 0.976 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.176 -12.507 0.889 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.347 -11.281 0.447 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.357 -12.859 -1.226 1.00 0.00 H new ATOM 0 HG3 MET A 80 14.166 -14.070 -0.793 1.00 0.00 H new ATOM 0 HE1 MET A 80 14.003 -11.301 -4.018 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.238 -10.221 -2.622 1.00 0.00 H new ATOM 0 HE3 MET A 80 15.309 -11.624 -2.852 1.00 0.00 H new ATOM 1032 N SER A 81 16.603 -11.043 1.916 1.00 0.00 N ATOM 1033 CA SER A 81 17.176 -9.954 2.689 1.00 0.00 C ATOM 1034 C SER A 81 16.097 -8.920 3.015 1.00 0.00 C ATOM 1035 O SER A 81 15.066 -8.862 2.348 1.00 0.00 O ATOM 1036 CB SER A 81 18.334 -9.295 1.937 1.00 0.00 C ATOM 1037 OG SER A 81 19.515 -10.092 1.970 1.00 0.00 O ATOM 0 H SER A 81 16.949 -11.116 0.959 1.00 0.00 H new ATOM 0 HA SER A 81 17.569 -10.364 3.619 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.042 -9.123 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.543 -8.319 2.376 1.00 0.00 H new ATOM 0 HG SER A 81 20.230 -9.638 1.478 1.00 0.00 H new ATOM 1043 N PRO A 82 16.380 -8.106 4.067 1.00 0.00 N ATOM 1044 CA PRO A 82 15.446 -7.077 4.490 1.00 0.00 C ATOM 1045 C PRO A 82 15.464 -5.890 3.524 1.00 0.00 C ATOM 1046 O PRO A 82 14.487 -5.150 3.425 1.00 0.00 O ATOM 1047 CB PRO A 82 15.882 -6.703 5.897 1.00 0.00 C ATOM 1048 CG PRO A 82 17.313 -7.197 6.035 1.00 0.00 C ATOM 1049 CD PRO A 82 17.592 -8.145 4.880 1.00 0.00 C ATOM 0 HA PRO A 82 14.412 -7.421 4.486 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.824 -5.625 6.050 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.235 -7.166 6.642 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.010 -6.359 6.018 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.451 -7.706 6.989 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.463 -7.826 4.308 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.797 -9.154 5.237 1.00 0.00 H new ATOM 1057 N LEU A 83 16.587 -5.746 2.835 1.00 0.00 N ATOM 1058 CA LEU A 83 16.746 -4.662 1.881 1.00 0.00 C ATOM 1059 C LEU A 83 16.125 -5.071 0.544 1.00 0.00 C ATOM 1060 O LEU A 83 15.418 -4.283 -0.084 1.00 0.00 O ATOM 1061 CB LEU A 83 18.216 -4.251 1.776 1.00 0.00 C ATOM 1062 CG LEU A 83 18.681 -3.168 2.752 1.00 0.00 C ATOM 1063 CD1 LEU A 83 20.208 -3.084 2.791 1.00 0.00 C ATOM 1064 CD2 LEU A 83 18.040 -1.819 2.420 1.00 0.00 C ATOM 0 H LEU A 83 17.395 -6.362 2.919 1.00 0.00 H new ATOM 0 HA LEU A 83 16.215 -3.773 2.222 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.832 -5.137 1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.403 -3.902 0.761 1.00 0.00 H new ATOM 0 HG LEU A 83 18.349 -3.444 3.753 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.512 -2.307 3.492 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.617 -4.042 3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.585 -2.843 1.797 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.387 -1.067 3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.320 -1.522 1.409 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.955 -1.906 2.485 1.00 0.00 H new ATOM 1076 N GLN A 84 16.411 -6.302 0.147 1.00 0.00 N ATOM 1077 CA GLN A 84 15.890 -6.825 -1.105 1.00 0.00 C ATOM 1078 C GLN A 84 14.360 -6.823 -1.084 1.00 0.00 C ATOM 1079 O GLN A 84 13.724 -6.338 -2.019 1.00 0.00 O ATOM 1080 CB GLN A 84 16.433 -8.229 -1.381 1.00 0.00 C ATOM 1081 CG GLN A 84 17.902 -8.175 -1.803 1.00 0.00 C ATOM 1082 CD GLN A 84 18.236 -9.310 -2.773 1.00 0.00 C ATOM 1083 OE1 GLN A 84 17.375 -9.875 -3.428 1.00 0.00 O ATOM 1084 NE2 GLN A 84 19.530 -9.612 -2.829 1.00 0.00 N ATOM 0 H GLN A 84 16.997 -6.953 0.670 1.00 0.00 H new ATOM 0 HA GLN A 84 16.224 -6.177 -1.915 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.330 -8.845 -0.488 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.843 -8.703 -2.165 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.114 -7.215 -2.274 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.540 -8.245 -0.922 1.00 0.00 H new ATOM 0 HE21 GLN A 84 20.199 -9.100 -2.254 1.00 0.00 H new ATOM 0 HE22 GLN A 84 19.854 -10.356 -3.447 1.00 0.00 H new ATOM 1093 N ARG A 85 13.813 -7.372 -0.009 1.00 0.00 N ATOM 1094 CA ARG A 85 12.370 -7.440 0.145 1.00 0.00 C ATOM 1095 C ARG A 85 11.732 -6.105 -0.245 1.00 0.00 C ATOM 1096 O ARG A 85 10.952 -6.039 -1.193 1.00 0.00 O ATOM 1097 CB ARG A 85 11.986 -7.780 1.586 1.00 0.00 C ATOM 1098 CG ARG A 85 12.251 -9.255 1.891 1.00 0.00 C ATOM 1099 CD ARG A 85 12.378 -9.490 3.397 1.00 0.00 C ATOM 1100 NE ARG A 85 12.850 -10.869 3.657 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.739 -11.490 4.839 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.173 -10.860 5.877 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.195 -12.742 4.982 1.00 0.00 N ATOM 0 H ARG A 85 14.344 -7.774 0.764 1.00 0.00 H new ATOM 0 HA ARG A 85 12.002 -8.228 -0.512 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.554 -7.155 2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.932 -7.555 1.748 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.440 -9.864 1.492 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.165 -9.575 1.391 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.075 -8.771 3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.415 -9.329 3.881 1.00 0.00 H new ATOM 0 HE ARG A 85 13.287 -11.378 2.888 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.826 -9.907 5.768 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.089 -11.333 6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.626 -13.221 4.191 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.111 -13.216 5.881 1.00 0.00 H new ATOM 1117 N HIS A 86 12.087 -5.074 0.508 1.00 0.00 N ATOM 1118 CA HIS A 86 11.558 -3.744 0.253 1.00 0.00 C ATOM 1119 C HIS A 86 11.964 -3.291 -1.150 1.00 0.00 C ATOM 1120 O HIS A 86 11.204 -2.602 -1.829 1.00 0.00 O ATOM 1121 CB HIS A 86 11.999 -2.766 1.343 1.00 0.00 C ATOM 1122 CG HIS A 86 11.332 -2.994 2.679 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.060 -1.966 3.565 1.00 0.00 N ATOM 1124 CD2 HIS A 86 10.886 -4.140 3.269 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.477 -2.483 4.637 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.371 -3.830 4.452 1.00 0.00 N ATOM 0 H HIS A 86 12.734 -5.132 1.294 1.00 0.00 H new ATOM 0 HA HIS A 86 10.469 -3.769 0.288 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.079 -2.842 1.470 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.788 -1.749 1.012 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.942 -5.132 2.845 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.144 -1.934 5.505 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.963 -4.490 5.114 1.00 0.00 H new ATOM 1134 N ARG A 87 13.163 -3.695 -1.544 1.00 0.00 N ATOM 1135 CA ARG A 87 13.680 -3.339 -2.855 1.00 0.00 C ATOM 1136 C ARG A 87 12.772 -3.896 -3.953 1.00 0.00 C ATOM 1137 O ARG A 87 12.447 -3.194 -4.910 1.00 0.00 O ATOM 1138 CB ARG A 87 15.098 -3.878 -3.053 1.00 0.00 C ATOM 1139 CG ARG A 87 15.747 -3.270 -4.298 1.00 0.00 C ATOM 1140 CD ARG A 87 16.844 -4.185 -4.847 1.00 0.00 C ATOM 1141 NE ARG A 87 17.791 -3.401 -5.671 1.00 0.00 N ATOM 1142 CZ ARG A 87 18.985 -3.853 -6.077 1.00 0.00 C ATOM 1143 NH1 ARG A 87 19.386 -5.086 -5.738 1.00 0.00 N ATOM 1144 NH2 ARG A 87 19.779 -3.072 -6.823 1.00 0.00 N ATOM 0 H ARG A 87 13.791 -4.266 -0.978 1.00 0.00 H new ATOM 0 HA ARG A 87 13.705 -2.251 -2.917 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.703 -3.651 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.068 -4.964 -3.147 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.989 -3.105 -5.064 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.170 -2.296 -4.053 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.375 -4.664 -4.024 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.400 -4.980 -5.446 1.00 0.00 H new ATOM 0 HE ARG A 87 17.518 -2.458 -5.947 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.782 -5.681 -5.171 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.295 -5.430 -6.047 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.474 -2.134 -7.081 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.688 -3.416 -7.132 1.00 0.00 H new ATOM 1158 N LEU A 88 12.388 -5.152 -3.778 1.00 0.00 N ATOM 1159 CA LEU A 88 11.524 -5.811 -4.743 1.00 0.00 C ATOM 1160 C LEU A 88 10.315 -4.918 -5.031 1.00 0.00 C ATOM 1161 O LEU A 88 10.016 -4.627 -6.188 1.00 0.00 O ATOM 1162 CB LEU A 88 11.151 -7.213 -4.257 1.00 0.00 C ATOM 1163 CG LEU A 88 11.723 -8.378 -5.068 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.832 -9.093 -4.293 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.616 -9.340 -5.503 1.00 0.00 C ATOM 0 H LEU A 88 12.659 -5.731 -2.983 1.00 0.00 H new ATOM 0 HA LEU A 88 12.047 -5.955 -5.688 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.482 -7.318 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.064 -7.298 -4.253 1.00 0.00 H new ATOM 0 HG LEU A 88 12.173 -7.974 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.221 -9.917 -4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.636 -8.390 -4.077 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.429 -9.483 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.050 -10.158 -6.077 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.115 -9.741 -4.622 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.893 -8.807 -6.120 1.00 0.00 H new ATOM 1177 N VAL A 89 9.652 -4.509 -3.959 1.00 0.00 N ATOM 1178 CA VAL A 89 8.483 -3.656 -4.083 1.00 0.00 C ATOM 1179 C VAL A 89 8.902 -2.304 -4.664 1.00 0.00 C ATOM 1180 O VAL A 89 8.387 -1.882 -5.699 1.00 0.00 O ATOM 1181 CB VAL A 89 7.780 -3.532 -2.730 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.817 -2.343 -2.719 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.053 -4.829 -2.369 1.00 0.00 C ATOM 0 H VAL A 89 9.903 -4.753 -3.001 1.00 0.00 H new ATOM 0 HA VAL A 89 7.761 -4.096 -4.771 1.00 0.00 H new ATOM 0 HB VAL A 89 8.542 -3.353 -1.972 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.331 -2.278 -1.746 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.371 -1.424 -2.910 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.062 -2.479 -3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.562 -4.714 -1.403 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.307 -5.052 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.772 -5.646 -2.315 1.00 0.00 H new ATOM 1193 N HIS A 90 9.834 -1.662 -3.974 1.00 0.00 N ATOM 1194 CA HIS A 90 10.328 -0.367 -4.409 1.00 0.00 C ATOM 1195 C HIS A 90 10.643 -0.414 -5.906 1.00 0.00 C ATOM 1196 O HIS A 90 10.321 0.519 -6.641 1.00 0.00 O ATOM 1197 CB HIS A 90 11.527 0.068 -3.565 1.00 0.00 C ATOM 1198 CG HIS A 90 11.210 0.261 -2.101 1.00 0.00 C ATOM 1199 ND1 HIS A 90 12.183 0.521 -1.151 1.00 0.00 N ATOM 1200 CD2 HIS A 90 10.020 0.230 -1.435 1.00 0.00 C ATOM 1201 CE1 HIS A 90 11.593 0.638 0.030 1.00 0.00 C ATOM 1202 NE2 HIS A 90 10.253 0.458 -0.148 1.00 0.00 N ATOM 0 H HIS A 90 10.260 -2.015 -3.117 1.00 0.00 H new ATOM 0 HA HIS A 90 9.558 0.389 -4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.315 -0.679 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.922 1.001 -3.967 1.00 0.00 H new ATOM 0 HD1 HIS A 90 13.183 0.608 -1.330 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.052 0.050 -1.879 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.087 0.840 0.969 1.00 0.00 H new ATOM 1210 N GLU A 91 11.267 -1.509 -6.312 1.00 0.00 N ATOM 1211 CA GLU A 91 11.629 -1.690 -7.708 1.00 0.00 C ATOM 1212 C GLU A 91 10.386 -1.596 -8.595 1.00 0.00 C ATOM 1213 O GLU A 91 10.436 -1.023 -9.682 1.00 0.00 O ATOM 1214 CB GLU A 91 12.354 -3.021 -7.919 1.00 0.00 C ATOM 1215 CG GLU A 91 13.849 -2.799 -8.158 1.00 0.00 C ATOM 1216 CD GLU A 91 14.402 -3.821 -9.152 1.00 0.00 C ATOM 1217 OE1 GLU A 91 14.321 -3.534 -10.366 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.895 -4.867 -8.676 1.00 0.00 O ATOM 0 H GLU A 91 11.531 -2.280 -5.699 1.00 0.00 H new ATOM 0 HA GLU A 91 12.315 -0.892 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.212 -3.659 -7.046 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.920 -3.545 -8.771 1.00 0.00 H new ATOM 0 HG2 GLU A 91 14.015 -1.791 -8.537 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.388 -2.877 -7.214 1.00 0.00 H new ATOM 1225 N ALA A 92 9.299 -2.168 -8.098 1.00 0.00 N ATOM 1226 CA ALA A 92 8.045 -2.156 -8.831 1.00 0.00 C ATOM 1227 C ALA A 92 7.395 -0.778 -8.699 1.00 0.00 C ATOM 1228 O ALA A 92 6.860 -0.244 -9.670 1.00 0.00 O ATOM 1229 CB ALA A 92 7.142 -3.279 -8.317 1.00 0.00 C ATOM 0 H ALA A 92 9.261 -2.643 -7.196 1.00 0.00 H new ATOM 0 HA ALA A 92 8.219 -2.338 -9.892 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.201 -3.270 -8.867 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.637 -4.239 -8.461 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.943 -3.129 -7.256 1.00 0.00 H new ATOM 1235 N LEU A 93 7.461 -0.241 -7.490 1.00 0.00 N ATOM 1236 CA LEU A 93 6.885 1.065 -7.218 1.00 0.00 C ATOM 1237 C LEU A 93 7.991 2.021 -6.767 1.00 0.00 C ATOM 1238 O LEU A 93 7.987 2.488 -5.629 1.00 0.00 O ATOM 1239 CB LEU A 93 5.731 0.945 -6.221 1.00 0.00 C ATOM 1240 CG LEU A 93 4.470 0.249 -6.735 1.00 0.00 C ATOM 1241 CD1 LEU A 93 3.947 0.928 -8.002 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.716 -1.246 -6.946 1.00 0.00 C ATOM 0 H LEU A 93 7.905 -0.687 -6.687 1.00 0.00 H new ATOM 0 HA LEU A 93 6.449 1.486 -8.124 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.089 0.404 -5.345 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.459 1.947 -5.888 1.00 0.00 H new ATOM 0 HG LEU A 93 3.694 0.343 -5.975 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.050 0.414 -8.347 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.707 1.969 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.710 0.886 -8.779 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.803 -1.717 -7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.513 -1.384 -7.676 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.007 -1.704 -6.001 1.00 0.00 H new ATOM 1254 N SER A 94 8.912 2.284 -7.682 1.00 0.00 N ATOM 1255 CA SER A 94 10.022 3.176 -7.393 1.00 0.00 C ATOM 1256 C SER A 94 9.589 4.631 -7.587 1.00 0.00 C ATOM 1257 O SER A 94 10.075 5.525 -6.896 1.00 0.00 O ATOM 1258 CB SER A 94 11.229 2.859 -8.278 1.00 0.00 C ATOM 1259 OG SER A 94 12.277 2.229 -7.546 1.00 0.00 O ATOM 0 H SER A 94 8.912 1.895 -8.625 1.00 0.00 H new ATOM 0 HA SER A 94 10.318 3.027 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.918 2.210 -9.097 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.602 3.780 -8.726 1.00 0.00 H new ATOM 0 HG SER A 94 11.910 1.487 -7.022 1.00 0.00 H new ATOM 1265 N GLU A 95 8.679 4.823 -8.531 1.00 0.00 N ATOM 1266 CA GLU A 95 8.175 6.153 -8.825 1.00 0.00 C ATOM 1267 C GLU A 95 7.131 6.567 -7.786 1.00 0.00 C ATOM 1268 O GLU A 95 6.775 7.741 -7.692 1.00 0.00 O ATOM 1269 CB GLU A 95 7.596 6.220 -10.240 1.00 0.00 C ATOM 1270 CG GLU A 95 8.641 6.728 -11.236 1.00 0.00 C ATOM 1271 CD GLU A 95 8.077 7.867 -12.089 1.00 0.00 C ATOM 1272 OE1 GLU A 95 6.875 7.784 -12.423 1.00 0.00 O ATOM 1273 OE2 GLU A 95 8.860 8.794 -12.388 1.00 0.00 O ATOM 0 H GLU A 95 8.278 4.079 -9.102 1.00 0.00 H new ATOM 0 HA GLU A 95 9.008 6.855 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.250 5.232 -10.543 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.728 6.879 -10.251 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.523 7.074 -10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.962 5.910 -11.881 1.00 0.00 H new ATOM 1280 N GLU A 96 6.670 5.580 -7.031 1.00 0.00 N ATOM 1281 CA GLU A 96 5.675 5.827 -6.002 1.00 0.00 C ATOM 1282 C GLU A 96 6.330 6.451 -4.768 1.00 0.00 C ATOM 1283 O GLU A 96 5.699 7.225 -4.050 1.00 0.00 O ATOM 1284 CB GLU A 96 4.932 4.540 -5.638 1.00 0.00 C ATOM 1285 CG GLU A 96 4.319 3.891 -6.880 1.00 0.00 C ATOM 1286 CD GLU A 96 3.259 4.799 -7.507 1.00 0.00 C ATOM 1287 OE1 GLU A 96 3.670 5.775 -8.171 1.00 0.00 O ATOM 1288 OE2 GLU A 96 2.063 4.496 -7.308 1.00 0.00 O ATOM 0 H GLU A 96 6.968 4.608 -7.112 1.00 0.00 H new ATOM 0 HA GLU A 96 4.942 6.532 -6.394 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.619 3.842 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.148 4.761 -4.914 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.102 3.682 -7.609 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.871 2.935 -6.611 1.00 0.00 H new ATOM 1295 N LEU A 97 7.588 6.090 -4.560 1.00 0.00 N ATOM 1296 CA LEU A 97 8.335 6.605 -3.425 1.00 0.00 C ATOM 1297 C LEU A 97 9.336 7.654 -3.913 1.00 0.00 C ATOM 1298 O LEU A 97 10.176 8.120 -3.145 1.00 0.00 O ATOM 1299 CB LEU A 97 8.979 5.458 -2.643 1.00 0.00 C ATOM 1300 CG LEU A 97 8.088 4.242 -2.381 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.786 2.949 -2.806 1.00 0.00 C ATOM 1302 CD2 LEU A 97 7.638 4.197 -0.919 1.00 0.00 C ATOM 0 H LEU A 97 8.108 5.448 -5.158 1.00 0.00 H new ATOM 0 HA LEU A 97 7.666 7.103 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.863 5.125 -3.187 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.322 5.846 -1.684 1.00 0.00 H new ATOM 0 HG LEU A 97 7.190 4.338 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.131 2.100 -2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.014 2.992 -3.871 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.711 2.832 -2.241 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.006 3.323 -0.760 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.512 4.136 -0.271 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.075 5.100 -0.684 1.00 0.00 H new ATOM 1314 N ALA A 98 9.213 7.996 -5.187 1.00 0.00 N ATOM 1315 CA ALA A 98 10.097 8.981 -5.786 1.00 0.00 C ATOM 1316 C ALA A 98 9.266 10.156 -6.307 1.00 0.00 C ATOM 1317 O ALA A 98 9.248 10.425 -7.507 1.00 0.00 O ATOM 1318 CB ALA A 98 10.927 8.321 -6.889 1.00 0.00 C ATOM 0 H ALA A 98 8.514 7.608 -5.821 1.00 0.00 H new ATOM 0 HA ALA A 98 10.793 9.372 -5.044 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.590 9.061 -7.338 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.521 7.513 -6.463 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.262 7.919 -7.653 1.00 0.00 H new ATOM 1324 N GLY A 99 8.597 10.823 -5.378 1.00 0.00 N ATOM 1325 CA GLY A 99 7.765 11.962 -5.729 1.00 0.00 C ATOM 1326 C GLY A 99 6.562 12.072 -4.790 1.00 0.00 C ATOM 1327 O GLY A 99 6.491 12.985 -3.969 1.00 0.00 O ATOM 0 H GLY A 99 8.614 10.597 -4.384 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.355 12.877 -5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.420 11.861 -6.758 1.00 0.00 H new ATOM 1331 N PRO A 100 5.620 11.103 -4.948 1.00 0.00 N ATOM 1332 CA PRO A 100 4.423 11.082 -4.124 1.00 0.00 C ATOM 1333 C PRO A 100 4.739 10.593 -2.710 1.00 0.00 C ATOM 1334 O PRO A 100 4.717 11.374 -1.759 1.00 0.00 O ATOM 1335 CB PRO A 100 3.453 10.174 -4.864 1.00 0.00 C ATOM 1336 CG PRO A 100 4.299 9.356 -5.825 1.00 0.00 C ATOM 1337 CD PRO A 100 5.670 10.006 -5.910 1.00 0.00 C ATOM 0 HA PRO A 100 3.992 12.073 -3.982 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.916 9.528 -4.170 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.705 10.757 -5.401 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.386 8.327 -5.476 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.832 9.321 -6.809 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.460 9.297 -5.662 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.874 10.371 -6.917 1.00 0.00 H new ATOM 1345 N VAL A 101 5.027 9.303 -2.614 1.00 0.00 N ATOM 1346 CA VAL A 101 5.347 8.701 -1.331 1.00 0.00 C ATOM 1347 C VAL A 101 6.817 8.965 -1.001 1.00 0.00 C ATOM 1348 O VAL A 101 7.643 9.108 -1.902 1.00 0.00 O ATOM 1349 CB VAL A 101 4.997 7.211 -1.351 1.00 0.00 C ATOM 1350 CG1 VAL A 101 4.986 6.632 0.066 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.659 6.971 -2.052 1.00 0.00 C ATOM 0 H VAL A 101 5.045 8.658 -3.404 1.00 0.00 H new ATOM 0 HA VAL A 101 4.750 9.151 -0.538 1.00 0.00 H new ATOM 0 HB VAL A 101 5.770 6.693 -1.919 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.735 5.572 0.024 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.971 6.754 0.516 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.244 7.157 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.435 5.904 -2.052 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.870 7.508 -1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.717 7.330 -3.080 1.00 0.00 H new ATOM 1361 N HIS A 102 7.100 9.022 0.292 1.00 0.00 N ATOM 1362 CA HIS A 102 8.456 9.267 0.752 1.00 0.00 C ATOM 1363 C HIS A 102 8.867 8.176 1.742 1.00 0.00 C ATOM 1364 O HIS A 102 9.920 7.558 1.590 1.00 0.00 O ATOM 1365 CB HIS A 102 8.586 10.676 1.334 1.00 0.00 C ATOM 1366 CG HIS A 102 7.905 11.745 0.513 1.00 0.00 C ATOM 1367 ND1 HIS A 102 6.622 11.838 0.060 1.00 0.00 N flip ATOM 1368 CD2 HIS A 102 8.559 12.881 0.070 1.00 0.00 C flip ATOM 1369 CE1 HIS A 102 6.498 12.970 -0.621 1.00 0.00 C flip ATOM 1370 NE2 HIS A 102 7.698 13.618 -0.617 1.00 0.00 N flip ATOM 0 H HIS A 102 6.413 8.903 1.036 1.00 0.00 H new ATOM 0 HA HIS A 102 9.144 9.221 -0.092 1.00 0.00 H new ATOM 0 HB2 HIS A 102 8.166 10.683 2.340 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.643 10.923 1.428 1.00 0.00 H new ATOM 0 HD2 HIS A 102 9.595 13.126 0.253 1.00 0.00 H new ATOM 0 HE1 HIS A 102 5.595 13.320 -1.100 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.898 14.513 -1.064 1.00 0.00 H new ATOM 1378 N ALA A 103 8.015 7.972 2.736 1.00 0.00 N ATOM 1379 CA ALA A 103 8.276 6.966 3.751 1.00 0.00 C ATOM 1380 C ALA A 103 7.073 6.026 3.853 1.00 0.00 C ATOM 1381 O ALA A 103 6.065 6.367 4.469 1.00 0.00 O ATOM 1382 CB ALA A 103 8.593 7.653 5.081 1.00 0.00 C ATOM 0 H ALA A 103 7.143 8.487 2.860 1.00 0.00 H new ATOM 0 HA ALA A 103 9.143 6.364 3.480 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.789 6.898 5.843 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.472 8.286 4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.744 8.265 5.386 1.00 0.00 H new ATOM 1388 N LEU A 104 7.219 4.861 3.239 1.00 0.00 N ATOM 1389 CA LEU A 104 6.157 3.869 3.253 1.00 0.00 C ATOM 1390 C LEU A 104 6.649 2.612 3.973 1.00 0.00 C ATOM 1391 O LEU A 104 7.536 1.917 3.480 1.00 0.00 O ATOM 1392 CB LEU A 104 5.651 3.606 1.833 1.00 0.00 C ATOM 1393 CG LEU A 104 5.145 2.190 1.553 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.047 1.795 2.542 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.686 2.049 0.100 1.00 0.00 C ATOM 0 H LEU A 104 8.057 4.582 2.729 1.00 0.00 H new ATOM 0 HA LEU A 104 5.296 4.240 3.810 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.844 4.307 1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.458 3.827 1.134 1.00 0.00 H new ATOM 0 HG LEU A 104 5.973 1.496 1.698 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.705 0.784 2.321 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.442 1.831 3.557 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.211 2.489 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.331 1.033 -0.072 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.878 2.754 -0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.521 2.260 -0.568 1.00 0.00 H new ATOM 1407 N ALA A 105 6.051 2.358 5.128 1.00 0.00 N ATOM 1408 CA ALA A 105 6.416 1.197 5.920 1.00 0.00 C ATOM 1409 C ALA A 105 5.846 -0.062 5.266 1.00 0.00 C ATOM 1410 O ALA A 105 4.665 -0.368 5.424 1.00 0.00 O ATOM 1411 CB ALA A 105 5.922 1.383 7.356 1.00 0.00 C ATOM 0 H ALA A 105 5.316 2.937 5.534 1.00 0.00 H new ATOM 0 HA ALA A 105 7.500 1.085 5.960 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.196 0.512 7.951 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.380 2.274 7.786 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.838 1.496 7.356 1.00 0.00 H new ATOM 1417 N ILE A 106 6.711 -0.759 4.543 1.00 0.00 N ATOM 1418 CA ILE A 106 6.308 -1.979 3.864 1.00 0.00 C ATOM 1419 C ILE A 106 6.512 -3.171 4.801 1.00 0.00 C ATOM 1420 O ILE A 106 7.478 -3.209 5.561 1.00 0.00 O ATOM 1421 CB ILE A 106 7.041 -2.114 2.528 1.00 0.00 C ATOM 1422 CG1 ILE A 106 6.918 -0.832 1.702 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.551 -3.341 1.756 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.609 -0.984 0.346 1.00 0.00 C ATOM 0 H ILE A 106 7.689 -0.502 4.413 1.00 0.00 H new ATOM 0 HA ILE A 106 5.247 -1.946 3.618 1.00 0.00 H new ATOM 0 HB ILE A 106 8.101 -2.264 2.734 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.865 -0.591 1.553 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.361 0.001 2.248 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.088 -3.414 0.810 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.733 -4.239 2.347 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.483 -3.245 1.561 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.506 -0.058 -0.220 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.666 -1.201 0.499 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.148 -1.802 -0.208 1.00 0.00 H new ATOM 1436 N GLN A 107 5.587 -4.115 4.716 1.00 0.00 N ATOM 1437 CA GLN A 107 5.653 -5.305 5.546 1.00 0.00 C ATOM 1438 C GLN A 107 5.871 -6.546 4.679 1.00 0.00 C ATOM 1439 O GLN A 107 4.918 -7.105 4.138 1.00 0.00 O ATOM 1440 CB GLN A 107 4.392 -5.448 6.401 1.00 0.00 C ATOM 1441 CG GLN A 107 4.747 -5.807 7.846 1.00 0.00 C ATOM 1442 CD GLN A 107 4.085 -4.841 8.830 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.894 -3.668 8.554 1.00 0.00 O ATOM 1444 NE2 GLN A 107 3.746 -5.398 9.989 1.00 0.00 N ATOM 0 H GLN A 107 4.787 -4.080 4.084 1.00 0.00 H new ATOM 0 HA GLN A 107 6.502 -5.205 6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.828 -4.516 6.382 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.747 -6.219 5.979 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.426 -6.826 8.060 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.829 -5.779 7.976 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.935 -6.387 10.154 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.297 -4.837 10.713 1.00 0.00 H new ATOM 1453 N ALA A 108 7.131 -6.942 4.574 1.00 0.00 N ATOM 1454 CA ALA A 108 7.486 -8.107 3.781 1.00 0.00 C ATOM 1455 C ALA A 108 7.462 -9.351 4.672 1.00 0.00 C ATOM 1456 O ALA A 108 8.361 -9.552 5.487 1.00 0.00 O ATOM 1457 CB ALA A 108 8.851 -7.883 3.128 1.00 0.00 C ATOM 0 H ALA A 108 7.919 -6.477 5.025 1.00 0.00 H new ATOM 0 HA ALA A 108 6.763 -8.261 2.980 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.118 -8.757 2.533 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.806 -7.005 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.603 -7.727 3.901 1.00 0.00 H new ATOM 1463 N LYS A 109 6.425 -10.153 4.486 1.00 0.00 N ATOM 1464 CA LYS A 109 6.272 -11.372 5.263 1.00 0.00 C ATOM 1465 C LYS A 109 5.973 -12.538 4.319 1.00 0.00 C ATOM 1466 O LYS A 109 5.701 -12.332 3.138 1.00 0.00 O ATOM 1467 CB LYS A 109 5.221 -11.181 6.358 1.00 0.00 C ATOM 1468 CG LYS A 109 5.520 -9.935 7.194 1.00 0.00 C ATOM 1469 CD LYS A 109 5.442 -10.246 8.690 1.00 0.00 C ATOM 1470 CE LYS A 109 5.361 -8.960 9.514 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.784 -9.211 10.910 1.00 0.00 N ATOM 0 H LYS A 109 5.682 -9.983 3.808 1.00 0.00 H new ATOM 0 HA LYS A 109 7.199 -11.612 5.783 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.233 -11.092 5.907 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.199 -12.059 7.003 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.513 -9.558 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.809 -9.147 6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.569 -10.866 8.891 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.318 -10.821 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.996 -8.195 9.068 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.341 -8.576 9.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.723 -8.328 11.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.162 -9.926 11.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.765 -9.556 10.919 1.00 0.00 H new ATOM 1485 N THR A 110 6.033 -13.739 4.877 1.00 0.00 N ATOM 1486 CA THR A 110 5.772 -14.939 4.100 1.00 0.00 C ATOM 1487 C THR A 110 4.416 -15.536 4.481 1.00 0.00 C ATOM 1488 O THR A 110 3.845 -15.181 5.511 1.00 0.00 O ATOM 1489 CB THR A 110 6.942 -15.902 4.311 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.333 -15.682 5.663 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.177 -15.512 3.497 1.00 0.00 C ATOM 0 H THR A 110 6.258 -13.906 5.858 1.00 0.00 H new ATOM 0 HA THR A 110 5.705 -14.715 3.035 1.00 0.00 H new ATOM 0 HB THR A 110 6.634 -16.912 4.040 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.086 -16.268 5.885 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.977 -16.228 3.684 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.929 -15.514 2.436 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.506 -14.515 3.791 1.00 0.00 H new ATOM 1499 N PRO A 111 3.928 -16.457 3.607 1.00 0.00 N ATOM 1500 CA PRO A 111 2.650 -17.107 3.842 1.00 0.00 C ATOM 1501 C PRO A 111 2.765 -18.162 4.943 1.00 0.00 C ATOM 1502 O PRO A 111 1.785 -18.826 5.277 1.00 0.00 O ATOM 1503 CB PRO A 111 2.254 -17.693 2.496 1.00 0.00 C ATOM 1504 CG PRO A 111 3.532 -17.753 1.676 1.00 0.00 C ATOM 1505 CD PRO A 111 4.577 -16.902 2.378 1.00 0.00 C ATOM 0 HA PRO A 111 1.887 -16.417 4.201 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.819 -18.685 2.615 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.504 -17.073 2.005 1.00 0.00 H new ATOM 0 HG2 PRO A 111 3.878 -18.782 1.583 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.355 -17.384 0.666 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.478 -17.477 2.592 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.878 -16.056 1.761 1.00 0.00 H new ATOM 1513 N ALA A 112 3.971 -18.284 5.477 1.00 0.00 N ATOM 1514 CA ALA A 112 4.228 -19.248 6.534 1.00 0.00 C ATOM 1515 C ALA A 112 4.388 -18.509 7.864 1.00 0.00 C ATOM 1516 O ALA A 112 4.346 -19.123 8.929 1.00 0.00 O ATOM 1517 CB ALA A 112 5.461 -20.081 6.178 1.00 0.00 C ATOM 0 H ALA A 112 4.781 -17.731 5.198 1.00 0.00 H new ATOM 0 HA ALA A 112 3.389 -19.936 6.638 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.653 -20.804 6.971 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.285 -20.609 5.241 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.324 -19.425 6.068 1.00 0.00 H new ATOM 1523 N GLN A 113 4.569 -17.200 7.760 1.00 0.00 N ATOM 1524 CA GLN A 113 4.735 -16.371 8.941 1.00 0.00 C ATOM 1525 C GLN A 113 3.449 -15.594 9.230 1.00 0.00 C ATOM 1526 O GLN A 113 3.110 -15.358 10.389 1.00 0.00 O ATOM 1527 CB GLN A 113 5.925 -15.422 8.782 1.00 0.00 C ATOM 1528 CG GLN A 113 7.198 -16.194 8.428 1.00 0.00 C ATOM 1529 CD GLN A 113 7.898 -16.705 9.689 1.00 0.00 C ATOM 1530 OE1 GLN A 113 7.682 -16.222 10.789 1.00 0.00 O ATOM 1531 NE2 GLN A 113 8.746 -17.706 9.469 1.00 0.00 N ATOM 0 H GLN A 113 4.604 -16.694 6.875 1.00 0.00 H new ATOM 0 HA GLN A 113 4.942 -17.021 9.791 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.710 -14.691 8.003 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.078 -14.866 9.707 1.00 0.00 H new ATOM 0 HG2 GLN A 113 6.950 -17.034 7.780 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.875 -15.549 7.868 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.879 -18.063 8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.263 -18.117 10.247 1.00 0.00 H new ATOM 1540 N TRP A 114 2.769 -15.218 8.157 1.00 0.00 N ATOM 1541 CA TRP A 114 1.528 -14.473 8.281 1.00 0.00 C ATOM 1542 C TRP A 114 0.515 -15.360 9.008 1.00 0.00 C ATOM 1543 O TRP A 114 -0.378 -14.858 9.689 1.00 0.00 O ATOM 1544 CB TRP A 114 1.034 -13.999 6.913 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.361 -13.372 6.938 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.545 -13.989 6.812 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.673 -11.973 7.105 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.592 -13.093 6.885 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -2.045 -11.828 7.069 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.176 -10.866 7.280 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.689 -10.592 7.201 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.483 -9.638 7.411 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.863 -9.476 7.377 1.00 0.00 C ATOM 0 H TRP A 114 3.054 -15.415 7.198 1.00 0.00 H new ATOM 0 HA TRP A 114 1.680 -13.566 8.866 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.741 -13.271 6.515 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.028 -14.846 6.227 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.664 -15.053 6.671 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.585 -13.317 6.817 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.252 -10.956 7.311 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.765 -10.504 7.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.123 -8.755 7.548 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.296 -8.493 7.486 1.00 0.00 H new ATOM 1564 N ARG A 115 0.687 -16.662 8.838 1.00 0.00 N ATOM 1565 CA ARG A 115 -0.201 -17.623 9.469 1.00 0.00 C ATOM 1566 C ARG A 115 -0.041 -17.575 10.990 1.00 0.00 C ATOM 1567 O ARG A 115 -1.026 -17.461 11.718 1.00 0.00 O ATOM 1568 CB ARG A 115 0.085 -19.044 8.978 1.00 0.00 C ATOM 1569 CG ARG A 115 -0.314 -19.207 7.510 1.00 0.00 C ATOM 1570 CD ARG A 115 -0.132 -20.655 7.050 1.00 0.00 C ATOM 1571 NE ARG A 115 -1.445 -21.333 6.980 1.00 0.00 N ATOM 1572 CZ ARG A 115 -1.620 -22.589 6.547 1.00 0.00 C ATOM 1573 NH1 ARG A 115 -0.566 -23.311 6.143 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -2.849 -23.123 6.517 1.00 0.00 N ATOM 0 H ARG A 115 1.429 -17.074 8.272 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.223 -17.356 9.199 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.145 -19.267 9.097 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.463 -19.761 9.589 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.353 -18.907 7.376 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.291 -18.546 6.889 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.350 -20.677 6.073 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.524 -21.185 7.741 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.269 -20.812 7.280 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.369 -22.905 6.165 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.699 -24.267 5.813 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.652 -22.573 6.824 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.982 -24.079 6.187 1.00 0.00 H new ATOM 1588 N GLU A 116 1.207 -17.665 11.425 1.00 0.00 N ATOM 1589 CA GLU A 116 1.509 -17.633 12.846 1.00 0.00 C ATOM 1590 C GLU A 116 0.962 -16.350 13.476 1.00 0.00 C ATOM 1591 O GLU A 116 0.383 -16.386 14.560 1.00 0.00 O ATOM 1592 CB GLU A 116 3.013 -17.765 13.090 1.00 0.00 C ATOM 1593 CG GLU A 116 3.398 -19.219 13.370 1.00 0.00 C ATOM 1594 CD GLU A 116 4.600 -19.297 14.314 1.00 0.00 C ATOM 1595 OE1 GLU A 116 5.734 -19.197 13.797 1.00 0.00 O ATOM 1596 OE2 GLU A 116 4.357 -19.454 15.530 1.00 0.00 O ATOM 0 H GLU A 116 2.021 -17.760 10.818 1.00 0.00 H new ATOM 0 HA GLU A 116 1.021 -18.485 13.320 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.559 -17.402 12.220 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.304 -17.139 13.933 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.551 -19.745 13.810 1.00 0.00 H new ATOM 0 HG3 GLU A 116 3.634 -19.723 12.433 1.00 0.00 H new ATOM 1603 N ASN A 117 1.164 -15.248 12.769 1.00 0.00 N ATOM 1604 CA ASN A 117 0.699 -13.957 13.245 1.00 0.00 C ATOM 1605 C ASN A 117 0.320 -13.083 12.048 1.00 0.00 C ATOM 1606 O ASN A 117 1.125 -12.277 11.584 1.00 0.00 O ATOM 1607 CB ASN A 117 1.793 -13.233 14.032 1.00 0.00 C ATOM 1608 CG ASN A 117 1.215 -12.050 14.812 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.166 -12.132 15.428 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.958 -10.948 14.750 1.00 0.00 N ATOM 0 H ASN A 117 1.644 -15.223 11.869 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.160 -14.127 13.895 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.271 -13.929 14.721 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.565 -12.880 13.348 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.659 -10.103 15.237 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.827 -10.948 14.216 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.938 -13.277 11.570 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.433 -12.515 10.436 1.00 0.00 C ATOM 1619 C PRO A 118 -1.773 -11.081 10.844 1.00 0.00 C ATOM 1620 O PRO A 118 -2.188 -10.276 10.012 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.641 -13.292 9.937 1.00 0.00 C ATOM 1622 CG PRO A 118 -3.055 -14.200 11.084 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.919 -14.222 12.094 1.00 0.00 C ATOM 0 HA PRO A 118 -0.690 -12.408 9.646 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.452 -12.618 9.660 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.392 -13.873 9.049 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.971 -13.835 11.548 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.261 -15.206 10.719 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.264 -13.926 13.085 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.494 -15.221 12.190 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.584 -10.804 12.126 1.00 0.00 N ATOM 1632 CA GLN A 119 -1.865 -9.481 12.656 1.00 0.00 C ATOM 1633 C GLN A 119 -0.688 -8.540 12.385 1.00 0.00 C ATOM 1634 O GLN A 119 0.444 -8.832 12.765 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.183 -9.544 14.151 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.330 -10.519 14.426 1.00 0.00 C ATOM 1637 CD GLN A 119 -4.401 -9.870 15.305 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -4.122 -9.282 16.337 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -5.639 -10.010 14.840 1.00 0.00 N ATOM 0 H GLN A 119 -1.239 -11.474 12.813 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.745 -9.087 12.148 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.296 -9.855 14.703 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -2.450 -8.551 14.512 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -3.773 -10.840 13.483 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.943 -11.412 14.917 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -5.803 -10.514 13.969 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -6.425 -9.613 15.355 1.00 0.00 H new ATOM 1648 N LEU A 120 -0.998 -7.431 11.730 1.00 0.00 N ATOM 1649 CA LEU A 120 0.019 -6.446 11.404 1.00 0.00 C ATOM 1650 C LEU A 120 0.158 -5.458 12.565 1.00 0.00 C ATOM 1651 O LEU A 120 -0.484 -5.620 13.602 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.291 -5.778 10.063 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.189 -6.675 8.828 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.117 -6.184 7.715 1.00 0.00 C ATOM 1655 CD2 LEU A 120 1.261 -6.792 8.354 1.00 0.00 C ATOM 0 H LEU A 120 -1.939 -7.193 11.416 1.00 0.00 H new ATOM 0 HA LEU A 120 0.988 -6.928 11.277 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.300 -5.369 10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.389 -4.936 9.933 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.520 -7.676 9.105 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.025 -6.839 6.849 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.148 -6.194 8.070 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.841 -5.168 7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.306 -7.435 7.475 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.642 -5.803 8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.870 -7.222 9.149 1.00 0.00 H new