USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc=-0.00839 X(o=-0.0084,f=-0.02) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -48:sc= 0.535 USER MOD Single : A 67 HIS : no HD1:sc= -0.261 X(o=-0.26,f=-0.084) USER MOD Single : A 74 SER OG : rot 180:sc= -1.76! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -117:sc= -0.722 (180deg=-3.09!) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0446 USER MOD Single : A 84 GLN : amide:sc= -0.966 K(o=-0.97,f=-4.6!) USER MOD Single : A 86 HIS : no HD1:sc= -0.586 X(o=-0.59,f=-0.7) USER MOD Single : A 90 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-0.28) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.697 K(o=-0.7,f=-0.16) USER MOD Single : A 107 GLN : amide:sc= -4.91! C(o=-4.9!,f=-4.1!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 180:sc= -0.29 USER MOD Single : A 113 GLN : amide:sc= -0.283 X(o=-0.28,f=-0.046) USER MOD Single : A 117 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= -0.0206 X(o=-0.021,f=-0.05) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.122 6.377 -5.977 1.00 0.00 N ATOM 302 CA VAL A 32 -1.725 6.029 -5.783 1.00 0.00 C ATOM 303 C VAL A 32 -1.633 4.753 -4.945 1.00 0.00 C ATOM 304 O VAL A 32 -1.141 3.729 -5.418 1.00 0.00 O ATOM 305 CB VAL A 32 -0.974 7.208 -5.161 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.449 6.806 -4.768 1.00 0.00 C ATOM 307 CG2 VAL A 32 -0.963 8.411 -6.106 1.00 0.00 C ATOM 0 HA VAL A 32 -1.246 5.824 -6.740 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.502 7.500 -4.253 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.961 7.662 -4.328 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.410 5.994 -4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.991 6.475 -5.654 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.423 9.235 -5.640 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.471 8.136 -7.039 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.987 8.720 -6.314 1.00 0.00 H new ATOM 317 N GLU A 33 -2.114 4.855 -3.714 1.00 0.00 N ATOM 318 CA GLU A 33 -2.092 3.721 -2.806 1.00 0.00 C ATOM 319 C GLU A 33 -2.605 2.464 -3.513 1.00 0.00 C ATOM 320 O GLU A 33 -1.971 1.412 -3.454 1.00 0.00 O ATOM 321 CB GLU A 33 -2.909 4.013 -1.545 1.00 0.00 C ATOM 322 CG GLU A 33 -3.025 2.765 -0.666 1.00 0.00 C ATOM 323 CD GLU A 33 -4.086 2.957 0.419 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.330 4.130 0.774 1.00 0.00 O ATOM 325 OE2 GLU A 33 -4.629 1.925 0.870 1.00 0.00 O ATOM 0 H GLU A 33 -2.521 5.705 -3.325 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.061 3.546 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.438 4.818 -0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.904 4.360 -1.824 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.282 1.904 -1.283 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.061 2.550 -0.204 1.00 0.00 H new ATOM 332 N ALA A 34 -3.748 2.616 -4.165 1.00 0.00 N ATOM 333 CA ALA A 34 -4.354 1.507 -4.882 1.00 0.00 C ATOM 334 C ALA A 34 -3.327 0.907 -5.845 1.00 0.00 C ATOM 335 O ALA A 34 -3.144 -0.309 -5.884 1.00 0.00 O ATOM 336 CB ALA A 34 -5.614 1.991 -5.602 1.00 0.00 C ATOM 0 H ALA A 34 -4.271 3.491 -4.212 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.656 0.722 -4.189 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.068 1.159 -6.140 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.323 2.381 -4.872 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.350 2.778 -6.308 1.00 0.00 H new ATOM 342 N ALA A 35 -2.684 1.787 -6.598 1.00 0.00 N ATOM 343 CA ALA A 35 -1.681 1.360 -7.558 1.00 0.00 C ATOM 344 C ALA A 35 -0.594 0.563 -6.833 1.00 0.00 C ATOM 345 O ALA A 35 -0.203 -0.512 -7.283 1.00 0.00 O ATOM 346 CB ALA A 35 -1.119 2.582 -8.288 1.00 0.00 C ATOM 0 H ALA A 35 -2.838 2.795 -6.563 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.123 0.706 -8.310 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.366 2.261 -9.008 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.925 3.096 -8.811 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.664 3.260 -7.566 1.00 0.00 H new ATOM 352 N ILE A 36 -0.137 1.123 -5.722 1.00 0.00 N ATOM 353 CA ILE A 36 0.897 0.478 -4.931 1.00 0.00 C ATOM 354 C ILE A 36 0.522 -0.988 -4.706 1.00 0.00 C ATOM 355 O ILE A 36 1.371 -1.872 -4.808 1.00 0.00 O ATOM 356 CB ILE A 36 1.143 1.255 -3.636 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.609 2.682 -3.933 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.122 0.510 -2.727 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.926 3.436 -2.639 1.00 0.00 C ATOM 0 H ILE A 36 -0.464 2.015 -5.351 1.00 0.00 H new ATOM 0 HA ILE A 36 1.846 0.486 -5.466 1.00 0.00 H new ATOM 0 HB ILE A 36 0.198 1.330 -3.098 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.494 2.654 -4.568 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.835 3.213 -4.487 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.279 1.084 -1.814 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.712 -0.468 -2.475 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.073 0.383 -3.244 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.255 4.447 -2.878 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.032 3.483 -2.017 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.717 2.916 -2.099 1.00 0.00 H new ATOM 371 N ARG A 37 -0.750 -1.200 -4.405 1.00 0.00 N ATOM 372 CA ARG A 37 -1.248 -2.544 -4.165 1.00 0.00 C ATOM 373 C ARG A 37 -1.526 -3.252 -5.493 1.00 0.00 C ATOM 374 O ARG A 37 -0.885 -4.251 -5.814 1.00 0.00 O ATOM 375 CB ARG A 37 -2.531 -2.516 -3.332 1.00 0.00 C ATOM 376 CG ARG A 37 -2.953 -3.929 -2.927 1.00 0.00 C ATOM 377 CD ARG A 37 -4.390 -4.220 -3.366 1.00 0.00 C ATOM 378 NE ARG A 37 -5.006 -5.212 -2.457 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.274 -5.633 -2.553 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.069 -5.151 -3.518 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.748 -6.537 -1.684 1.00 0.00 N ATOM 0 H ARG A 37 -1.451 -0.464 -4.322 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.482 -3.088 -3.613 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.376 -1.909 -2.440 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.330 -2.044 -3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.277 -4.657 -3.376 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.869 -4.041 -1.846 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.974 -3.299 -3.362 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.397 -4.598 -4.388 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.429 -5.599 -1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.709 -4.463 -4.180 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.035 -5.472 -3.591 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.143 -6.904 -0.949 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.714 -6.857 -1.757 1.00 0.00 H new ATOM 395 N ALA A 38 -2.483 -2.706 -6.229 1.00 0.00 N ATOM 396 CA ALA A 38 -2.853 -3.273 -7.515 1.00 0.00 C ATOM 397 C ALA A 38 -1.590 -3.717 -8.255 1.00 0.00 C ATOM 398 O ALA A 38 -1.603 -4.721 -8.966 1.00 0.00 O ATOM 399 CB ALA A 38 -3.664 -2.247 -8.310 1.00 0.00 C ATOM 0 H ALA A 38 -3.013 -1.877 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.482 -4.153 -7.380 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.942 -2.671 -9.275 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.565 -1.987 -7.755 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.063 -1.351 -8.467 1.00 0.00 H new ATOM 405 N LYS A 39 -0.528 -2.949 -8.061 1.00 0.00 N ATOM 406 CA LYS A 39 0.741 -3.251 -8.701 1.00 0.00 C ATOM 407 C LYS A 39 1.329 -4.521 -8.083 1.00 0.00 C ATOM 408 O LYS A 39 1.414 -5.555 -8.744 1.00 0.00 O ATOM 409 CB LYS A 39 1.677 -2.042 -8.632 1.00 0.00 C ATOM 410 CG LYS A 39 1.196 -0.922 -9.556 1.00 0.00 C ATOM 411 CD LYS A 39 2.163 -0.722 -10.724 1.00 0.00 C ATOM 412 CE LYS A 39 1.793 0.522 -11.535 1.00 0.00 C ATOM 413 NZ LYS A 39 2.832 1.566 -11.385 1.00 0.00 N ATOM 0 H LYS A 39 -0.520 -2.118 -7.470 1.00 0.00 H new ATOM 0 HA LYS A 39 0.595 -3.451 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.728 -1.675 -7.607 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.686 -2.342 -8.914 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.204 -1.162 -9.938 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.105 0.006 -8.992 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.181 -0.625 -10.346 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.146 -1.600 -11.370 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.683 0.258 -12.587 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.830 0.908 -11.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.566 2.403 -11.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.917 1.829 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.744 1.200 -11.726 1.00 0.00 H new ATOM 427 N LEU A 40 1.720 -4.401 -6.823 1.00 0.00 N ATOM 428 CA LEU A 40 2.298 -5.527 -6.109 1.00 0.00 C ATOM 429 C LEU A 40 1.377 -6.741 -6.248 1.00 0.00 C ATOM 430 O LEU A 40 1.819 -7.879 -6.101 1.00 0.00 O ATOM 431 CB LEU A 40 2.596 -5.144 -4.657 1.00 0.00 C ATOM 432 CG LEU A 40 3.529 -3.949 -4.457 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.515 -3.480 -3.000 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.944 -4.270 -4.942 1.00 0.00 C ATOM 0 H LEU A 40 1.648 -3.542 -6.278 1.00 0.00 H new ATOM 0 HA LEU A 40 3.258 -5.803 -6.546 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.651 -4.930 -4.157 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.032 -6.008 -4.156 1.00 0.00 H new ATOM 0 HG LEU A 40 3.160 -3.123 -5.065 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.187 -2.629 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.503 -3.183 -2.723 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.845 -4.293 -2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.587 -3.403 -4.788 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.337 -5.118 -4.381 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.917 -4.518 -6.003 1.00 0.00 H new ATOM 446 N GLU A 41 0.115 -6.456 -6.531 1.00 0.00 N ATOM 447 CA GLU A 41 -0.872 -7.510 -6.692 1.00 0.00 C ATOM 448 C GLU A 41 -0.541 -8.364 -7.918 1.00 0.00 C ATOM 449 O GLU A 41 -0.649 -9.589 -7.874 1.00 0.00 O ATOM 450 CB GLU A 41 -2.284 -6.929 -6.794 1.00 0.00 C ATOM 451 CG GLU A 41 -2.932 -6.820 -5.412 1.00 0.00 C ATOM 452 CD GLU A 41 -4.453 -6.701 -5.529 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.898 -5.980 -6.447 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.137 -7.335 -4.696 1.00 0.00 O ATOM 0 H GLU A 41 -0.247 -5.510 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.840 -8.148 -5.809 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.243 -5.944 -7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.896 -7.561 -7.438 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.677 -7.696 -4.816 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.535 -5.951 -4.887 1.00 0.00 H new ATOM 461 N GLN A 42 -0.144 -7.684 -8.984 1.00 0.00 N ATOM 462 CA GLN A 42 0.203 -8.365 -10.219 1.00 0.00 C ATOM 463 C GLN A 42 1.722 -8.392 -10.402 1.00 0.00 C ATOM 464 O GLN A 42 2.226 -8.983 -11.355 1.00 0.00 O ATOM 465 CB GLN A 42 -0.482 -7.707 -11.419 1.00 0.00 C ATOM 466 CG GLN A 42 -0.027 -6.255 -11.582 1.00 0.00 C ATOM 467 CD GLN A 42 -0.578 -5.650 -12.874 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.746 -5.781 -13.204 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.325 -4.981 -13.586 1.00 0.00 N ATOM 0 H GLN A 42 -0.055 -6.668 -9.017 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.154 -9.393 -10.157 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.253 -8.268 -12.325 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.564 -7.740 -11.288 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.363 -5.667 -10.728 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.062 -6.210 -11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.286 -4.909 -13.253 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.056 -4.540 -14.465 1.00 0.00 H new ATOM 478 N ALA A 43 2.409 -7.743 -9.473 1.00 0.00 N ATOM 479 CA ALA A 43 3.860 -7.685 -9.519 1.00 0.00 C ATOM 480 C ALA A 43 4.438 -8.659 -8.490 1.00 0.00 C ATOM 481 O ALA A 43 5.655 -8.808 -8.386 1.00 0.00 O ATOM 482 CB ALA A 43 4.321 -6.246 -9.284 1.00 0.00 C ATOM 0 H ALA A 43 1.987 -7.253 -8.684 1.00 0.00 H new ATOM 0 HA ALA A 43 4.226 -7.988 -10.500 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.410 -6.202 -9.318 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.907 -5.600 -10.059 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.975 -5.908 -8.307 1.00 0.00 H new ATOM 488 N LEU A 44 3.539 -9.295 -7.754 1.00 0.00 N ATOM 489 CA LEU A 44 3.944 -10.249 -6.736 1.00 0.00 C ATOM 490 C LEU A 44 2.852 -11.309 -6.572 1.00 0.00 C ATOM 491 O LEU A 44 3.142 -12.504 -6.538 1.00 0.00 O ATOM 492 CB LEU A 44 4.300 -9.527 -5.435 1.00 0.00 C ATOM 493 CG LEU A 44 5.474 -8.548 -5.511 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.504 -7.633 -4.285 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.796 -9.293 -5.703 1.00 0.00 C ATOM 0 H LEU A 44 2.531 -9.168 -7.842 1.00 0.00 H new ATOM 0 HA LEU A 44 4.851 -10.770 -7.043 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.420 -8.982 -5.092 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.526 -10.277 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 44 5.333 -7.911 -6.384 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.347 -6.947 -4.364 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.576 -7.063 -4.234 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.610 -8.236 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.614 -8.575 -5.754 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.958 -9.969 -4.863 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.759 -9.867 -6.629 1.00 0.00 H new ATOM 507 N SER A 45 1.620 -10.832 -6.476 1.00 0.00 N ATOM 508 CA SER A 45 0.483 -11.723 -6.317 1.00 0.00 C ATOM 509 C SER A 45 0.638 -12.545 -5.036 1.00 0.00 C ATOM 510 O SER A 45 0.684 -13.773 -5.083 1.00 0.00 O ATOM 511 CB SER A 45 0.336 -12.649 -7.526 1.00 0.00 C ATOM 512 OG SER A 45 -1.022 -12.778 -7.938 1.00 0.00 O ATOM 0 H SER A 45 1.384 -9.840 -6.505 1.00 0.00 H new ATOM 0 HA SER A 45 -0.420 -11.116 -6.246 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.931 -12.262 -8.353 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.735 -13.633 -7.280 1.00 0.00 H new ATOM 0 HG SER A 45 -1.073 -13.376 -8.713 1.00 0.00 H new ATOM 518 N PRO A 46 0.715 -11.815 -3.891 1.00 0.00 N ATOM 519 CA PRO A 46 0.863 -12.462 -2.599 1.00 0.00 C ATOM 520 C PRO A 46 -0.456 -13.094 -2.148 1.00 0.00 C ATOM 521 O PRO A 46 -1.453 -13.037 -2.866 1.00 0.00 O ATOM 522 CB PRO A 46 1.347 -11.367 -1.663 1.00 0.00 C ATOM 523 CG PRO A 46 1.009 -10.053 -2.348 1.00 0.00 C ATOM 524 CD PRO A 46 0.663 -10.358 -3.797 1.00 0.00 C ATOM 0 HA PRO A 46 1.572 -13.290 -2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.857 -11.439 -0.692 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.419 -11.450 -1.486 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.170 -9.567 -1.849 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.853 -9.366 -2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.326 -9.979 -4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.372 -9.891 -4.480 1.00 0.00 H new ATOM 532 N GLU A 47 -0.418 -13.682 -0.961 1.00 0.00 N ATOM 533 CA GLU A 47 -1.597 -14.323 -0.406 1.00 0.00 C ATOM 534 C GLU A 47 -2.404 -13.324 0.425 1.00 0.00 C ATOM 535 O GLU A 47 -3.594 -13.525 0.661 1.00 0.00 O ATOM 536 CB GLU A 47 -1.214 -15.547 0.429 1.00 0.00 C ATOM 537 CG GLU A 47 -0.521 -16.604 -0.433 1.00 0.00 C ATOM 538 CD GLU A 47 -1.488 -17.730 -0.804 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.087 -18.295 0.137 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.607 -18.000 -2.018 1.00 0.00 O ATOM 0 H GLU A 47 0.411 -13.728 -0.369 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.221 -14.667 -1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.553 -15.245 1.242 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.107 -15.974 0.886 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.132 -16.141 -1.340 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.332 -17.016 0.106 1.00 0.00 H new ATOM 547 N VAL A 48 -1.723 -12.268 0.847 1.00 0.00 N ATOM 548 CA VAL A 48 -2.362 -11.237 1.647 1.00 0.00 C ATOM 549 C VAL A 48 -1.670 -9.897 1.390 1.00 0.00 C ATOM 550 O VAL A 48 -0.557 -9.668 1.861 1.00 0.00 O ATOM 551 CB VAL A 48 -2.354 -11.640 3.123 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.234 -10.701 3.952 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.791 -13.096 3.296 1.00 0.00 C ATOM 0 H VAL A 48 -0.736 -12.105 0.650 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.408 -11.124 1.360 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.331 -11.552 3.489 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.211 -11.009 4.997 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.859 -9.681 3.866 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.259 -10.743 3.584 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.777 -13.357 4.354 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.801 -13.222 2.905 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.108 -13.748 2.752 1.00 0.00 H new ATOM 563 N LEU A 49 -2.358 -9.045 0.643 1.00 0.00 N ATOM 564 CA LEU A 49 -1.823 -7.734 0.318 1.00 0.00 C ATOM 565 C LEU A 49 -2.722 -6.656 0.927 1.00 0.00 C ATOM 566 O LEU A 49 -3.667 -6.196 0.287 1.00 0.00 O ATOM 567 CB LEU A 49 -1.632 -7.593 -1.194 1.00 0.00 C ATOM 568 CG LEU A 49 -0.252 -7.120 -1.654 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.071 -7.337 -3.158 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.009 -5.664 -1.251 1.00 0.00 C ATOM 0 H LEU A 49 -3.281 -9.238 0.254 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.832 -7.608 0.755 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.837 -8.558 -1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.378 -6.894 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 49 0.502 -7.724 -1.149 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.918 -6.992 -3.459 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.171 -8.398 -3.387 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.831 -6.775 -3.701 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.979 -5.353 -1.590 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.767 -5.028 -1.709 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.066 -5.572 -0.166 1.00 0.00 H new ATOM 582 N GLU A 50 -2.397 -6.284 2.156 1.00 0.00 N ATOM 583 CA GLU A 50 -3.163 -5.269 2.858 1.00 0.00 C ATOM 584 C GLU A 50 -2.450 -3.918 2.782 1.00 0.00 C ATOM 585 O GLU A 50 -1.247 -3.832 3.024 1.00 0.00 O ATOM 586 CB GLU A 50 -3.410 -5.677 4.312 1.00 0.00 C ATOM 587 CG GLU A 50 -4.543 -6.701 4.410 1.00 0.00 C ATOM 588 CD GLU A 50 -5.891 -6.009 4.623 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.067 -4.918 4.039 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.714 -6.586 5.366 1.00 0.00 O ATOM 0 H GLU A 50 -1.613 -6.668 2.684 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.134 -5.173 2.371 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.498 -6.097 4.735 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.659 -4.796 4.903 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.577 -7.299 3.499 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.348 -7.387 5.235 1.00 0.00 H new ATOM 597 N LEU A 51 -3.222 -2.896 2.443 1.00 0.00 N ATOM 598 CA LEU A 51 -2.679 -1.553 2.331 1.00 0.00 C ATOM 599 C LEU A 51 -3.679 -0.553 2.914 1.00 0.00 C ATOM 600 O LEU A 51 -4.880 -0.653 2.665 1.00 0.00 O ATOM 601 CB LEU A 51 -2.283 -1.254 0.884 1.00 0.00 C ATOM 602 CG LEU A 51 -1.771 0.162 0.608 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.728 0.580 1.646 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.237 0.282 -0.821 1.00 0.00 C ATOM 0 H LEU A 51 -4.219 -2.971 2.242 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.762 -1.463 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.511 -1.963 0.586 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.148 -1.437 0.246 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.610 0.852 0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.381 1.590 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.175 0.558 2.640 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.116 -0.109 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.879 1.297 -0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.416 -0.421 -0.963 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.035 0.055 -1.528 1.00 0.00 H new ATOM 616 N ARG A 52 -3.148 0.389 3.680 1.00 0.00 N ATOM 617 CA ARG A 52 -3.980 1.407 4.300 1.00 0.00 C ATOM 618 C ARG A 52 -3.290 2.771 4.231 1.00 0.00 C ATOM 619 O ARG A 52 -2.099 2.854 3.934 1.00 0.00 O ATOM 620 CB ARG A 52 -4.270 1.064 5.763 1.00 0.00 C ATOM 621 CG ARG A 52 -5.671 0.469 5.918 1.00 0.00 C ATOM 622 CD ARG A 52 -5.638 -1.055 5.787 1.00 0.00 C ATOM 623 NE ARG A 52 -7.011 -1.578 5.608 1.00 0.00 N ATOM 624 CZ ARG A 52 -7.930 -1.623 6.582 1.00 0.00 C ATOM 625 NH1 ARG A 52 -7.629 -1.177 7.809 1.00 0.00 N ATOM 626 NH2 ARG A 52 -9.151 -2.115 6.329 1.00 0.00 N ATOM 0 H ARG A 52 -2.152 0.469 3.885 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.922 1.444 3.753 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.527 0.355 6.128 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.182 1.962 6.375 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.082 0.745 6.889 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.334 0.888 5.161 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.017 -1.342 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.186 -1.495 6.676 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.274 -1.926 4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.700 -0.803 8.002 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.329 -1.211 8.550 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.380 -2.455 5.395 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.851 -2.149 7.070 1.00 0.00 H new ATOM 794 N THR A 66 2.137 10.791 1.597 1.00 0.00 N ATOM 795 CA THR A 66 3.507 10.337 1.768 1.00 0.00 C ATOM 796 C THR A 66 3.545 9.069 2.624 1.00 0.00 C ATOM 797 O THR A 66 3.734 7.970 2.104 1.00 0.00 O ATOM 798 CB THR A 66 4.318 11.492 2.358 1.00 0.00 C ATOM 799 OG1 THR A 66 3.690 11.754 3.610 1.00 0.00 O ATOM 800 CG2 THR A 66 4.141 12.793 1.572 1.00 0.00 C ATOM 0 HA THR A 66 3.954 10.061 0.813 1.00 0.00 H new ATOM 0 HB THR A 66 5.374 11.221 2.378 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.720 11.816 3.483 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.738 13.580 2.033 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.469 12.644 0.543 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.090 13.083 1.580 1.00 0.00 H new ATOM 808 N HIS A 67 3.363 9.263 3.922 1.00 0.00 N ATOM 809 CA HIS A 67 3.374 8.149 4.854 1.00 0.00 C ATOM 810 C HIS A 67 2.337 7.109 4.424 1.00 0.00 C ATOM 811 O HIS A 67 1.220 7.460 4.050 1.00 0.00 O ATOM 812 CB HIS A 67 3.164 8.638 6.288 1.00 0.00 C ATOM 813 CG HIS A 67 3.781 7.746 7.339 1.00 0.00 C ATOM 814 ND1 HIS A 67 3.259 7.618 8.614 1.00 0.00 N ATOM 815 CD2 HIS A 67 4.879 6.940 7.289 1.00 0.00 C ATOM 816 CE1 HIS A 67 4.018 6.770 9.293 1.00 0.00 C ATOM 817 NE2 HIS A 67 5.022 6.352 8.471 1.00 0.00 N ATOM 0 H HIS A 67 3.207 10.176 4.350 1.00 0.00 H new ATOM 0 HA HIS A 67 4.351 7.666 4.836 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.584 9.639 6.384 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.094 8.721 6.479 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.523 6.803 6.433 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.868 6.464 10.318 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.761 5.696 8.722 1.00 0.00 H new ATOM 825 N PHE A 68 2.745 5.850 4.493 1.00 0.00 N ATOM 826 CA PHE A 68 1.865 4.757 4.116 1.00 0.00 C ATOM 827 C PHE A 68 2.332 3.438 4.734 1.00 0.00 C ATOM 828 O PHE A 68 3.501 3.297 5.093 1.00 0.00 O ATOM 829 CB PHE A 68 1.924 4.641 2.591 1.00 0.00 C ATOM 830 CG PHE A 68 0.793 5.374 1.867 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.502 5.098 2.174 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.084 6.302 0.916 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.552 5.778 1.502 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.034 6.983 0.244 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.261 6.706 0.551 1.00 0.00 C ATOM 0 H PHE A 68 3.673 5.563 4.804 1.00 0.00 H new ATOM 0 HA PHE A 68 0.853 4.955 4.471 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.879 5.035 2.244 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.895 3.587 2.316 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.732 4.361 2.929 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.113 6.521 0.672 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.581 5.559 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.264 7.721 -0.511 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.059 7.223 0.039 1.00 0.00 H new ATOM 845 N ARG A 69 1.397 2.507 4.841 1.00 0.00 N ATOM 846 CA ARG A 69 1.698 1.204 5.410 1.00 0.00 C ATOM 847 C ARG A 69 1.107 0.095 4.538 1.00 0.00 C ATOM 848 O ARG A 69 -0.105 0.036 4.338 1.00 0.00 O ATOM 849 CB ARG A 69 1.140 1.081 6.829 1.00 0.00 C ATOM 850 CG ARG A 69 2.076 0.258 7.716 1.00 0.00 C ATOM 851 CD ARG A 69 2.046 0.762 9.161 1.00 0.00 C ATOM 852 NE ARG A 69 3.370 0.571 9.792 1.00 0.00 N ATOM 853 CZ ARG A 69 3.765 1.189 10.913 1.00 0.00 C ATOM 854 NH1 ARG A 69 2.939 2.042 11.534 1.00 0.00 N ATOM 855 NH2 ARG A 69 4.985 0.955 11.414 1.00 0.00 N ATOM 0 H ARG A 69 0.429 2.629 4.543 1.00 0.00 H new ATOM 0 HA ARG A 69 2.782 1.101 5.448 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.006 2.074 7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.157 0.612 6.798 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.781 -0.791 7.687 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.093 0.314 7.328 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.774 1.817 9.181 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.284 0.225 9.726 1.00 0.00 H new ATOM 0 HE ARG A 69 4.024 -0.072 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.010 2.221 11.153 1.00 0.00 H new ATOM 0 HH12 ARG A 69 3.239 2.513 12.388 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.614 0.306 10.942 1.00 0.00 H new ATOM 0 HH22 ARG A 69 5.285 1.426 12.268 1.00 0.00 H new ATOM 869 N VAL A 70 1.991 -0.759 4.042 1.00 0.00 N ATOM 870 CA VAL A 70 1.572 -1.863 3.196 1.00 0.00 C ATOM 871 C VAL A 70 1.982 -3.185 3.851 1.00 0.00 C ATOM 872 O VAL A 70 3.019 -3.261 4.508 1.00 0.00 O ATOM 873 CB VAL A 70 2.144 -1.691 1.788 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.476 -2.430 1.643 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.143 -2.154 0.729 1.00 0.00 C ATOM 0 H VAL A 70 2.996 -0.708 4.210 1.00 0.00 H new ATOM 0 HA VAL A 70 0.487 -1.874 3.092 1.00 0.00 H new ATOM 0 HB VAL A 70 2.331 -0.629 1.630 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.861 -2.291 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.193 -2.033 2.362 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.325 -3.493 1.831 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.575 -2.021 -0.263 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.910 -3.207 0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.230 -1.564 0.809 1.00 0.00 H new ATOM 885 N ALA A 71 1.146 -4.193 3.647 1.00 0.00 N ATOM 886 CA ALA A 71 1.409 -5.507 4.209 1.00 0.00 C ATOM 887 C ALA A 71 1.295 -6.560 3.105 1.00 0.00 C ATOM 888 O ALA A 71 0.193 -6.971 2.745 1.00 0.00 O ATOM 889 CB ALA A 71 0.443 -5.769 5.367 1.00 0.00 C ATOM 0 H ALA A 71 0.287 -4.126 3.101 1.00 0.00 H new ATOM 0 HA ALA A 71 2.421 -5.558 4.611 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.640 -6.755 5.789 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.583 -5.010 6.137 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.583 -5.729 5.001 1.00 0.00 H new ATOM 895 N VAL A 72 2.450 -6.967 2.600 1.00 0.00 N ATOM 896 CA VAL A 72 2.495 -7.965 1.544 1.00 0.00 C ATOM 897 C VAL A 72 2.794 -9.335 2.156 1.00 0.00 C ATOM 898 O VAL A 72 3.605 -9.445 3.074 1.00 0.00 O ATOM 899 CB VAL A 72 3.510 -7.553 0.476 1.00 0.00 C ATOM 900 CG1 VAL A 72 4.928 -7.527 1.049 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.428 -8.473 -0.743 1.00 0.00 C ATOM 0 H VAL A 72 3.362 -6.624 2.902 1.00 0.00 H new ATOM 0 HA VAL A 72 1.529 -8.035 1.044 1.00 0.00 H new ATOM 0 HB VAL A 72 3.262 -6.543 0.150 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.630 -7.231 0.269 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.975 -6.812 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.190 -8.519 1.416 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.160 -8.158 -1.487 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.638 -9.499 -0.439 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.428 -8.419 -1.173 1.00 0.00 H new ATOM 911 N VAL A 73 2.124 -10.345 1.622 1.00 0.00 N ATOM 912 CA VAL A 73 2.308 -11.704 2.104 1.00 0.00 C ATOM 913 C VAL A 73 2.554 -12.633 0.914 1.00 0.00 C ATOM 914 O VAL A 73 1.615 -13.210 0.367 1.00 0.00 O ATOM 915 CB VAL A 73 1.107 -12.125 2.953 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.249 -13.574 3.423 1.00 0.00 C ATOM 917 CG2 VAL A 73 0.916 -11.179 4.140 1.00 0.00 C ATOM 0 H VAL A 73 1.453 -10.250 0.860 1.00 0.00 H new ATOM 0 HA VAL A 73 3.183 -11.765 2.751 1.00 0.00 H new ATOM 0 HB VAL A 73 0.216 -12.062 2.328 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.382 -13.848 4.024 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.313 -14.233 2.557 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.153 -13.675 4.023 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.056 -11.501 4.727 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.809 -11.195 4.765 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.747 -10.166 3.775 1.00 0.00 H new ATOM 927 N SER A 74 3.822 -12.750 0.548 1.00 0.00 N ATOM 928 CA SER A 74 4.204 -13.600 -0.567 1.00 0.00 C ATOM 929 C SER A 74 5.416 -14.452 -0.185 1.00 0.00 C ATOM 930 O SER A 74 6.133 -14.129 0.761 1.00 0.00 O ATOM 931 CB SER A 74 4.513 -12.768 -1.813 1.00 0.00 C ATOM 932 OG SER A 74 3.674 -13.118 -2.911 1.00 0.00 O ATOM 0 H SER A 74 4.598 -12.270 1.004 1.00 0.00 H new ATOM 0 HA SER A 74 3.365 -14.256 -0.799 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.386 -11.710 -1.583 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.556 -12.910 -2.094 1.00 0.00 H new ATOM 0 HG SER A 74 3.901 -12.563 -3.686 1.00 0.00 H new ATOM 938 N SER A 75 5.606 -15.525 -0.939 1.00 0.00 N ATOM 939 CA SER A 75 6.719 -16.426 -0.691 1.00 0.00 C ATOM 940 C SER A 75 7.992 -15.875 -1.334 1.00 0.00 C ATOM 941 O SER A 75 9.078 -16.418 -1.136 1.00 0.00 O ATOM 942 CB SER A 75 6.420 -17.829 -1.223 1.00 0.00 C ATOM 943 OG SER A 75 6.260 -17.841 -2.639 1.00 0.00 O ATOM 0 H SER A 75 5.008 -15.791 -1.722 1.00 0.00 H new ATOM 0 HA SER A 75 6.867 -16.499 0.387 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.230 -18.503 -0.944 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.513 -18.209 -0.753 1.00 0.00 H new ATOM 0 HG SER A 75 6.072 -18.755 -2.939 1.00 0.00 H new ATOM 949 N ARG A 76 7.818 -14.802 -2.092 1.00 0.00 N ATOM 950 CA ARG A 76 8.940 -14.171 -2.766 1.00 0.00 C ATOM 951 C ARG A 76 10.032 -13.813 -1.757 1.00 0.00 C ATOM 952 O ARG A 76 11.220 -13.926 -2.055 1.00 0.00 O ATOM 953 CB ARG A 76 8.499 -12.904 -3.502 1.00 0.00 C ATOM 954 CG ARG A 76 7.838 -13.248 -4.838 1.00 0.00 C ATOM 955 CD ARG A 76 8.810 -13.040 -6.001 1.00 0.00 C ATOM 956 NE ARG A 76 9.999 -13.904 -5.826 1.00 0.00 N ATOM 957 CZ ARG A 76 11.206 -13.634 -6.342 1.00 0.00 C ATOM 958 NH1 ARG A 76 11.391 -12.524 -7.068 1.00 0.00 N ATOM 959 NH2 ARG A 76 12.228 -14.476 -6.132 1.00 0.00 N ATOM 0 H ARG A 76 6.916 -14.354 -2.254 1.00 0.00 H new ATOM 0 HA ARG A 76 9.332 -14.882 -3.494 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.801 -12.343 -2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.362 -12.260 -3.674 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.499 -14.284 -4.824 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.955 -12.625 -4.982 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.316 -13.273 -6.945 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.114 -11.994 -6.050 1.00 0.00 H new ATOM 0 HE ARG A 76 9.893 -14.758 -5.279 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.613 -11.884 -7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 76 12.310 -12.319 -7.461 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.087 -15.322 -5.580 1.00 0.00 H new ATOM 0 HH22 ARG A 76 13.147 -14.271 -6.525 1.00 0.00 H new ATOM 973 N PHE A 77 9.591 -13.388 -0.582 1.00 0.00 N ATOM 974 CA PHE A 77 10.516 -13.012 0.474 1.00 0.00 C ATOM 975 C PHE A 77 10.865 -14.216 1.351 1.00 0.00 C ATOM 976 O PHE A 77 10.978 -14.089 2.570 1.00 0.00 O ATOM 977 CB PHE A 77 9.813 -11.958 1.331 1.00 0.00 C ATOM 978 CG PHE A 77 9.101 -10.873 0.522 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.807 -10.093 -0.340 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.761 -10.687 0.665 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.146 -9.085 -1.090 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.100 -9.679 -0.086 1.00 0.00 C ATOM 983 CZ PHE A 77 7.807 -8.899 -0.948 1.00 0.00 C ATOM 0 H PHE A 77 8.605 -13.296 -0.338 1.00 0.00 H new ATOM 0 HA PHE A 77 11.441 -12.632 0.040 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.086 -12.454 1.974 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.547 -11.487 1.984 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.871 -10.241 -0.454 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.200 -11.306 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.707 -8.466 -1.774 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.036 -9.532 0.027 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.305 -8.132 -1.519 1.00 0.00 H new ATOM 993 N GLU A 78 11.026 -15.358 0.698 1.00 0.00 N ATOM 994 CA GLU A 78 11.360 -16.583 1.403 1.00 0.00 C ATOM 995 C GLU A 78 12.856 -16.623 1.719 1.00 0.00 C ATOM 996 O GLU A 78 13.674 -16.876 0.836 1.00 0.00 O ATOM 997 CB GLU A 78 10.937 -17.813 0.596 1.00 0.00 C ATOM 998 CG GLU A 78 9.618 -18.384 1.119 1.00 0.00 C ATOM 999 CD GLU A 78 9.788 -19.838 1.564 1.00 0.00 C ATOM 1000 OE1 GLU A 78 9.851 -20.703 0.663 1.00 0.00 O ATOM 1001 OE2 GLU A 78 9.850 -20.052 2.794 1.00 0.00 O ATOM 0 H GLU A 78 10.931 -15.460 -0.312 1.00 0.00 H new ATOM 0 HA GLU A 78 10.809 -16.599 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.830 -17.544 -0.455 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.715 -18.574 0.652 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.264 -17.783 1.956 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.858 -18.325 0.340 1.00 0.00 H new ATOM 1008 N GLY A 79 13.169 -16.369 2.982 1.00 0.00 N ATOM 1009 CA GLY A 79 14.553 -16.373 3.425 1.00 0.00 C ATOM 1010 C GLY A 79 15.372 -15.323 2.673 1.00 0.00 C ATOM 1011 O GLY A 79 16.482 -15.603 2.222 1.00 0.00 O ATOM 0 H GLY A 79 12.488 -16.159 3.712 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.596 -16.175 4.496 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.987 -17.360 3.266 1.00 0.00 H new ATOM 1015 N MET A 80 14.794 -14.136 2.561 1.00 0.00 N ATOM 1016 CA MET A 80 15.457 -13.043 1.871 1.00 0.00 C ATOM 1017 C MET A 80 15.855 -11.937 2.851 1.00 0.00 C ATOM 1018 O MET A 80 15.439 -11.949 4.008 1.00 0.00 O ATOM 1019 CB MET A 80 14.521 -12.468 0.806 1.00 0.00 C ATOM 1020 CG MET A 80 14.570 -13.304 -0.475 1.00 0.00 C ATOM 1021 SD MET A 80 15.024 -12.273 -1.860 1.00 0.00 S ATOM 1022 CE MET A 80 13.501 -11.370 -2.086 1.00 0.00 C ATOM 0 H MET A 80 13.874 -13.907 2.937 1.00 0.00 H new ATOM 0 HA MET A 80 16.361 -13.430 1.402 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.501 -12.442 1.189 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.805 -11.439 0.584 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.290 -14.114 -0.363 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.599 -13.764 -0.656 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.084 -11.599 -3.067 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.789 -11.658 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.699 -10.300 -2.017 1.00 0.00 H new ATOM 1032 N SER A 81 16.657 -11.008 2.351 1.00 0.00 N ATOM 1033 CA SER A 81 17.115 -9.897 3.168 1.00 0.00 C ATOM 1034 C SER A 81 15.996 -8.866 3.326 1.00 0.00 C ATOM 1035 O SER A 81 14.990 -8.925 2.621 1.00 0.00 O ATOM 1036 CB SER A 81 18.358 -9.243 2.560 1.00 0.00 C ATOM 1037 OG SER A 81 19.500 -9.384 3.400 1.00 0.00 O ATOM 0 H SER A 81 17.001 -11.002 1.391 1.00 0.00 H new ATOM 0 HA SER A 81 17.384 -10.284 4.151 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.565 -9.691 1.588 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.163 -8.185 2.388 1.00 0.00 H new ATOM 0 HG SER A 81 20.273 -8.955 2.976 1.00 0.00 H new ATOM 1043 N PRO A 82 16.214 -7.922 4.280 1.00 0.00 N ATOM 1044 CA PRO A 82 15.236 -6.880 4.540 1.00 0.00 C ATOM 1045 C PRO A 82 15.258 -5.820 3.437 1.00 0.00 C ATOM 1046 O PRO A 82 14.234 -5.207 3.139 1.00 0.00 O ATOM 1047 CB PRO A 82 15.606 -6.324 5.905 1.00 0.00 C ATOM 1048 CG PRO A 82 17.044 -6.750 6.153 1.00 0.00 C ATOM 1049 CD PRO A 82 17.395 -7.822 5.134 1.00 0.00 C ATOM 0 HA PRO A 82 14.213 -7.255 4.542 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.512 -5.238 5.923 1.00 0.00 H new ATOM 0 HB3 PRO A 82 14.944 -6.714 6.678 1.00 0.00 H new ATOM 0 HG2 PRO A 82 17.717 -5.898 6.057 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.159 -7.134 7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.278 -7.547 4.558 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.615 -8.773 5.619 1.00 0.00 H new ATOM 1057 N LEU A 83 16.437 -5.636 2.860 1.00 0.00 N ATOM 1058 CA LEU A 83 16.606 -4.661 1.797 1.00 0.00 C ATOM 1059 C LEU A 83 16.001 -5.213 0.504 1.00 0.00 C ATOM 1060 O LEU A 83 15.161 -4.565 -0.118 1.00 0.00 O ATOM 1061 CB LEU A 83 18.077 -4.261 1.666 1.00 0.00 C ATOM 1062 CG LEU A 83 18.411 -3.301 0.522 1.00 0.00 C ATOM 1063 CD1 LEU A 83 17.912 -1.888 0.829 1.00 0.00 C ATOM 1064 CD2 LEU A 83 19.908 -3.324 0.207 1.00 0.00 C ATOM 0 H LEU A 83 17.284 -6.146 3.109 1.00 0.00 H new ATOM 0 HA LEU A 83 16.070 -3.742 2.034 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.393 -3.802 2.603 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.670 -5.167 1.539 1.00 0.00 H new ATOM 0 HG LEU A 83 17.888 -3.640 -0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.162 -1.226 0.000 1.00 0.00 H new ATOM 0 HD12 LEU A 83 16.831 -1.906 0.966 1.00 0.00 H new ATOM 0 HD13 LEU A 83 18.387 -1.524 1.740 1.00 0.00 H new ATOM 0 HD21 LEU A 83 20.119 -2.633 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 83 20.470 -3.023 1.091 1.00 0.00 H new ATOM 0 HD23 LEU A 83 20.203 -4.332 -0.085 1.00 0.00 H new ATOM 1076 N GLN A 84 16.453 -6.404 0.138 1.00 0.00 N ATOM 1077 CA GLN A 84 15.967 -7.050 -1.069 1.00 0.00 C ATOM 1078 C GLN A 84 14.441 -6.962 -1.141 1.00 0.00 C ATOM 1079 O GLN A 84 13.889 -6.476 -2.127 1.00 0.00 O ATOM 1080 CB GLN A 84 16.436 -8.504 -1.140 1.00 0.00 C ATOM 1081 CG GLN A 84 17.958 -8.583 -1.273 1.00 0.00 C ATOM 1082 CD GLN A 84 18.427 -10.038 -1.346 1.00 0.00 C ATOM 1083 OE1 GLN A 84 18.998 -10.581 -0.415 1.00 0.00 O ATOM 1084 NE2 GLN A 84 18.156 -10.636 -2.503 1.00 0.00 N ATOM 0 H GLN A 84 17.150 -6.938 0.656 1.00 0.00 H new ATOM 0 HA GLN A 84 16.383 -6.526 -1.930 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.118 -9.037 -0.244 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.967 -9.000 -1.990 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.277 -8.049 -2.168 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.427 -8.088 -0.423 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.675 -10.123 -3.242 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.430 -11.607 -2.651 1.00 0.00 H new ATOM 1093 N ARG A 85 13.802 -7.440 -0.083 1.00 0.00 N ATOM 1094 CA ARG A 85 12.351 -7.421 -0.014 1.00 0.00 C ATOM 1095 C ARG A 85 11.815 -6.063 -0.470 1.00 0.00 C ATOM 1096 O ARG A 85 11.185 -5.962 -1.522 1.00 0.00 O ATOM 1097 CB ARG A 85 11.864 -7.702 1.410 1.00 0.00 C ATOM 1098 CG ARG A 85 12.204 -9.132 1.833 1.00 0.00 C ATOM 1099 CD ARG A 85 12.208 -9.266 3.357 1.00 0.00 C ATOM 1100 NE ARG A 85 12.609 -10.638 3.744 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.887 -11.013 5.000 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.810 -10.123 5.998 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.242 -12.279 5.257 1.00 0.00 N ATOM 0 H ARG A 85 14.263 -7.843 0.733 1.00 0.00 H new ATOM 0 HA ARG A 85 11.977 -8.203 -0.675 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.323 -6.995 2.101 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.786 -7.549 1.467 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.478 -9.824 1.405 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.181 -9.410 1.437 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.896 -8.541 3.792 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.217 -9.043 3.752 1.00 0.00 H new ATOM 0 HE ARG A 85 12.678 -11.341 3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.540 -9.159 5.802 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.022 -10.409 6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.301 -12.957 4.497 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.454 -12.565 6.213 1.00 0.00 H new ATOM 1117 N HIS A 86 12.085 -5.052 0.343 1.00 0.00 N ATOM 1118 CA HIS A 86 11.637 -3.705 0.036 1.00 0.00 C ATOM 1119 C HIS A 86 12.037 -3.345 -1.397 1.00 0.00 C ATOM 1120 O HIS A 86 11.230 -2.807 -2.154 1.00 0.00 O ATOM 1121 CB HIS A 86 12.168 -2.707 1.068 1.00 0.00 C ATOM 1122 CG HIS A 86 11.483 -2.789 2.411 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.172 -1.670 3.163 1.00 0.00 N ATOM 1124 CD2 HIS A 86 11.051 -3.867 3.126 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.581 -2.068 4.280 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.507 -3.430 4.256 1.00 0.00 N ATOM 0 H HIS A 86 12.609 -5.139 1.214 1.00 0.00 H new ATOM 0 HA HIS A 86 10.550 -3.657 0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.236 -2.876 1.206 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.053 -1.697 0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.137 -4.901 2.825 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.221 -1.427 5.071 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.101 -4.016 4.985 1.00 0.00 H new ATOM 1134 N ARG A 87 13.282 -3.657 -1.725 1.00 0.00 N ATOM 1135 CA ARG A 87 13.798 -3.374 -3.053 1.00 0.00 C ATOM 1136 C ARG A 87 12.828 -3.885 -4.120 1.00 0.00 C ATOM 1137 O ARG A 87 12.467 -3.150 -5.039 1.00 0.00 O ATOM 1138 CB ARG A 87 15.166 -4.027 -3.263 1.00 0.00 C ATOM 1139 CG ARG A 87 15.880 -3.426 -4.476 1.00 0.00 C ATOM 1140 CD ARG A 87 17.041 -4.316 -4.925 1.00 0.00 C ATOM 1141 NE ARG A 87 18.132 -3.484 -5.480 1.00 0.00 N ATOM 1142 CZ ARG A 87 19.332 -3.960 -5.837 1.00 0.00 C ATOM 1143 NH1 ARG A 87 19.604 -5.265 -5.698 1.00 0.00 N ATOM 1144 NH2 ARG A 87 20.262 -3.131 -6.331 1.00 0.00 N ATOM 0 H ARG A 87 13.948 -4.103 -1.094 1.00 0.00 H new ATOM 0 HA ARG A 87 13.906 -2.293 -3.143 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.779 -3.891 -2.372 1.00 0.00 H new ATOM 0 HB3 ARG A 87 15.043 -5.101 -3.404 1.00 0.00 H new ATOM 0 HG2 ARG A 87 15.172 -3.304 -5.296 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.254 -2.433 -4.227 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.410 -4.899 -4.081 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.696 -5.026 -5.676 1.00 0.00 H new ATOM 0 HE ARG A 87 17.959 -2.486 -5.598 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.897 -5.896 -5.320 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.518 -5.627 -5.970 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.056 -2.137 -6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.176 -3.494 -6.603 1.00 0.00 H new ATOM 1158 N LEU A 88 12.434 -5.140 -3.964 1.00 0.00 N ATOM 1159 CA LEU A 88 11.513 -5.758 -4.903 1.00 0.00 C ATOM 1160 C LEU A 88 10.308 -4.837 -5.109 1.00 0.00 C ATOM 1161 O LEU A 88 9.979 -4.484 -6.240 1.00 0.00 O ATOM 1162 CB LEU A 88 11.138 -7.166 -4.438 1.00 0.00 C ATOM 1163 CG LEU A 88 11.671 -8.319 -5.291 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.815 -9.045 -4.580 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.544 -9.274 -5.688 1.00 0.00 C ATOM 0 H LEU A 88 12.736 -5.746 -3.201 1.00 0.00 H new ATOM 0 HA LEU A 88 11.988 -5.885 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.499 -7.298 -3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.051 -7.238 -4.404 1.00 0.00 H new ATOM 0 HG LEU A 88 12.079 -7.902 -6.212 1.00 0.00 H new ATOM 0 HD11 LEU A 88 13.175 -9.860 -5.208 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.629 -8.345 -4.392 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.457 -9.448 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.950 -10.084 -6.294 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.084 -9.687 -4.790 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.794 -8.732 -6.263 1.00 0.00 H new ATOM 1177 N VAL A 89 9.683 -4.476 -3.998 1.00 0.00 N ATOM 1178 CA VAL A 89 8.522 -3.603 -4.042 1.00 0.00 C ATOM 1179 C VAL A 89 8.936 -2.239 -4.598 1.00 0.00 C ATOM 1180 O VAL A 89 8.332 -1.743 -5.548 1.00 0.00 O ATOM 1181 CB VAL A 89 7.881 -3.515 -2.655 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.754 -2.480 -2.638 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.376 -4.884 -2.196 1.00 0.00 C ATOM 0 H VAL A 89 9.959 -4.772 -3.062 1.00 0.00 H new ATOM 0 HA VAL A 89 7.763 -4.009 -4.711 1.00 0.00 H new ATOM 0 HB VAL A 89 8.647 -3.189 -1.951 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.315 -2.437 -1.641 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.155 -1.501 -2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.988 -2.764 -3.360 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.925 -4.793 -1.208 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.632 -5.253 -2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.211 -5.583 -2.151 1.00 0.00 H new ATOM 1193 N HIS A 90 9.963 -1.671 -3.982 1.00 0.00 N ATOM 1194 CA HIS A 90 10.464 -0.374 -4.404 1.00 0.00 C ATOM 1195 C HIS A 90 10.661 -0.369 -5.921 1.00 0.00 C ATOM 1196 O HIS A 90 10.268 0.580 -6.598 1.00 0.00 O ATOM 1197 CB HIS A 90 11.737 -0.009 -3.639 1.00 0.00 C ATOM 1198 CG HIS A 90 11.486 0.536 -2.253 1.00 0.00 C ATOM 1199 ND1 HIS A 90 12.295 1.494 -1.667 1.00 0.00 N ATOM 1200 CD2 HIS A 90 10.510 0.248 -1.346 1.00 0.00 C ATOM 1201 CE1 HIS A 90 11.818 1.763 -0.461 1.00 0.00 C ATOM 1202 NE2 HIS A 90 10.712 0.989 -0.263 1.00 0.00 N ATOM 0 H HIS A 90 10.461 -2.085 -3.194 1.00 0.00 H new ATOM 0 HA HIS A 90 9.733 0.398 -4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.368 -0.894 -3.561 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.294 0.731 -4.214 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.708 -0.462 -1.485 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.232 2.471 0.242 1.00 0.00 H new ATOM 0 HE2 HIS A 90 10.135 0.981 0.578 1.00 0.00 H new ATOM 1210 N GLU A 91 11.270 -1.439 -6.410 1.00 0.00 N ATOM 1211 CA GLU A 91 11.524 -1.570 -7.835 1.00 0.00 C ATOM 1212 C GLU A 91 10.215 -1.467 -8.620 1.00 0.00 C ATOM 1213 O GLU A 91 10.135 -0.739 -9.608 1.00 0.00 O ATOM 1214 CB GLU A 91 12.247 -2.882 -8.145 1.00 0.00 C ATOM 1215 CG GLU A 91 13.671 -2.620 -8.640 1.00 0.00 C ATOM 1216 CD GLU A 91 14.045 -3.582 -9.769 1.00 0.00 C ATOM 1217 OE1 GLU A 91 14.322 -4.757 -9.445 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.045 -3.121 -10.931 1.00 0.00 O ATOM 0 H GLU A 91 11.595 -2.223 -5.845 1.00 0.00 H new ATOM 0 HA GLU A 91 12.175 -0.752 -8.144 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.278 -3.504 -7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.692 -3.437 -8.901 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.754 -1.592 -8.991 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.373 -2.732 -7.814 1.00 0.00 H new ATOM 1225 N ALA A 92 9.221 -2.206 -8.149 1.00 0.00 N ATOM 1226 CA ALA A 92 7.919 -2.207 -8.795 1.00 0.00 C ATOM 1227 C ALA A 92 7.287 -0.820 -8.661 1.00 0.00 C ATOM 1228 O ALA A 92 6.742 -0.287 -9.627 1.00 0.00 O ATOM 1229 CB ALA A 92 7.047 -3.306 -8.184 1.00 0.00 C ATOM 0 H ALA A 92 9.291 -2.808 -7.328 1.00 0.00 H new ATOM 0 HA ALA A 92 8.018 -2.423 -9.859 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.070 -3.307 -8.668 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.526 -4.274 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.923 -3.121 -7.117 1.00 0.00 H new ATOM 1235 N LEU A 93 7.381 -0.275 -7.457 1.00 0.00 N ATOM 1236 CA LEU A 93 6.826 1.040 -7.185 1.00 0.00 C ATOM 1237 C LEU A 93 7.964 2.018 -6.890 1.00 0.00 C ATOM 1238 O LEU A 93 8.028 2.592 -5.804 1.00 0.00 O ATOM 1239 CB LEU A 93 5.780 0.959 -6.071 1.00 0.00 C ATOM 1240 CG LEU A 93 4.462 0.273 -6.437 1.00 0.00 C ATOM 1241 CD1 LEU A 93 3.755 1.014 -7.574 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.686 -1.204 -6.767 1.00 0.00 C ATOM 0 H LEU A 93 7.833 -0.720 -6.659 1.00 0.00 H new ATOM 0 HA LEU A 93 6.298 1.420 -8.060 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.219 0.430 -5.225 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.558 1.971 -5.734 1.00 0.00 H new ATOM 0 HG LEU A 93 3.804 0.313 -5.569 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.821 0.506 -7.814 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.542 2.037 -7.264 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.398 1.028 -8.454 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.734 -1.668 -7.024 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.370 -1.288 -7.611 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.114 -1.709 -5.901 1.00 0.00 H new ATOM 1254 N SER A 94 8.834 2.179 -7.877 1.00 0.00 N ATOM 1255 CA SER A 94 9.967 3.078 -7.737 1.00 0.00 C ATOM 1256 C SER A 94 9.491 4.531 -7.791 1.00 0.00 C ATOM 1257 O SER A 94 9.878 5.347 -6.956 1.00 0.00 O ATOM 1258 CB SER A 94 11.012 2.821 -8.824 1.00 0.00 C ATOM 1259 OG SER A 94 12.322 2.681 -8.282 1.00 0.00 O ATOM 0 H SER A 94 8.777 1.702 -8.777 1.00 0.00 H new ATOM 0 HA SER A 94 10.435 2.891 -6.770 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.749 1.917 -9.374 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.001 3.644 -9.539 1.00 0.00 H new ATOM 0 HG SER A 94 12.960 2.516 -9.007 1.00 0.00 H new ATOM 1265 N GLU A 95 8.657 4.811 -8.783 1.00 0.00 N ATOM 1266 CA GLU A 95 8.124 6.151 -8.957 1.00 0.00 C ATOM 1267 C GLU A 95 7.375 6.592 -7.699 1.00 0.00 C ATOM 1268 O GLU A 95 7.201 7.787 -7.462 1.00 0.00 O ATOM 1269 CB GLU A 95 7.220 6.225 -10.189 1.00 0.00 C ATOM 1270 CG GLU A 95 8.039 6.472 -11.457 1.00 0.00 C ATOM 1271 CD GLU A 95 7.307 7.423 -12.407 1.00 0.00 C ATOM 1272 OE1 GLU A 95 6.114 7.157 -12.668 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.957 8.394 -12.850 1.00 0.00 O ATOM 0 H GLU A 95 8.338 4.132 -9.474 1.00 0.00 H new ATOM 0 HA GLU A 95 8.957 6.835 -9.117 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.660 5.296 -10.289 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.491 7.025 -10.062 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.009 6.893 -11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.230 5.525 -11.961 1.00 0.00 H new ATOM 1280 N GLU A 96 6.950 5.604 -6.925 1.00 0.00 N ATOM 1281 CA GLU A 96 6.223 5.876 -5.696 1.00 0.00 C ATOM 1282 C GLU A 96 7.156 6.493 -4.653 1.00 0.00 C ATOM 1283 O GLU A 96 6.910 7.598 -4.171 1.00 0.00 O ATOM 1284 CB GLU A 96 5.563 4.605 -5.158 1.00 0.00 C ATOM 1285 CG GLU A 96 4.316 4.249 -5.970 1.00 0.00 C ATOM 1286 CD GLU A 96 4.585 4.377 -7.471 1.00 0.00 C ATOM 1287 OE1 GLU A 96 5.426 3.596 -7.966 1.00 0.00 O ATOM 1288 OE2 GLU A 96 3.943 5.254 -8.089 1.00 0.00 O ATOM 0 H GLU A 96 7.095 4.614 -7.125 1.00 0.00 H new ATOM 0 HA GLU A 96 5.431 6.593 -5.915 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.273 3.779 -5.194 1.00 0.00 H new ATOM 0 HB3 GLU A 96 5.292 4.747 -4.112 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.005 3.230 -5.738 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.493 4.906 -5.687 1.00 0.00 H new ATOM 1295 N LEU A 97 8.207 5.753 -4.333 1.00 0.00 N ATOM 1296 CA LEU A 97 9.178 6.214 -3.356 1.00 0.00 C ATOM 1297 C LEU A 97 9.948 7.405 -3.930 1.00 0.00 C ATOM 1298 O LEU A 97 10.621 8.126 -3.195 1.00 0.00 O ATOM 1299 CB LEU A 97 10.077 5.060 -2.908 1.00 0.00 C ATOM 1300 CG LEU A 97 9.433 4.031 -1.976 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.582 4.717 -0.906 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.631 2.998 -2.771 1.00 0.00 C ATOM 0 H LEU A 97 8.407 4.837 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 97 8.674 6.564 -2.455 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.438 4.541 -3.796 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.950 5.479 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 97 10.228 3.494 -1.459 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.136 3.963 -0.257 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.210 5.381 -0.312 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.793 5.296 -1.385 1.00 0.00 H new ATOM 0 HD21 LEU A 97 8.184 2.278 -2.085 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.844 3.502 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 97 9.293 2.477 -3.462 1.00 0.00 H new ATOM 1314 N ALA A 98 9.822 7.575 -5.238 1.00 0.00 N ATOM 1315 CA ALA A 98 10.498 8.666 -5.919 1.00 0.00 C ATOM 1316 C ALA A 98 9.458 9.553 -6.608 1.00 0.00 C ATOM 1317 O ALA A 98 9.451 9.671 -7.833 1.00 0.00 O ATOM 1318 CB ALA A 98 11.523 8.098 -6.902 1.00 0.00 C ATOM 0 H ALA A 98 9.262 6.976 -5.844 1.00 0.00 H new ATOM 0 HA ALA A 98 11.040 9.286 -5.206 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.030 8.917 -7.413 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.255 7.500 -6.359 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.015 7.472 -7.636 1.00 0.00 H new ATOM 1324 N GLY A 99 8.605 10.153 -5.792 1.00 0.00 N ATOM 1325 CA GLY A 99 7.563 11.025 -6.308 1.00 0.00 C ATOM 1326 C GLY A 99 6.543 11.364 -5.219 1.00 0.00 C ATOM 1327 O GLY A 99 6.755 12.283 -4.429 1.00 0.00 O ATOM 0 H GLY A 99 8.614 10.053 -4.777 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.009 11.943 -6.692 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.060 10.541 -7.145 1.00 0.00 H new ATOM 1331 N PRO A 100 5.429 10.585 -5.212 1.00 0.00 N ATOM 1332 CA PRO A 100 4.375 10.793 -4.233 1.00 0.00 C ATOM 1333 C PRO A 100 4.793 10.269 -2.858 1.00 0.00 C ATOM 1334 O PRO A 100 4.952 11.044 -1.916 1.00 0.00 O ATOM 1335 CB PRO A 100 3.163 10.073 -4.801 1.00 0.00 C ATOM 1336 CG PRO A 100 3.702 9.103 -5.839 1.00 0.00 C ATOM 1337 CD PRO A 100 5.143 9.488 -6.133 1.00 0.00 C ATOM 0 HA PRO A 100 4.154 11.848 -4.070 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.620 9.544 -4.017 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.465 10.779 -5.251 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.648 8.079 -5.469 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.103 9.145 -6.748 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.818 8.648 -5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.266 9.800 -7.170 1.00 0.00 H new ATOM 1345 N VAL A 101 4.959 8.956 -2.786 1.00 0.00 N ATOM 1346 CA VAL A 101 5.355 8.319 -1.542 1.00 0.00 C ATOM 1347 C VAL A 101 6.800 8.700 -1.216 1.00 0.00 C ATOM 1348 O VAL A 101 7.672 8.639 -2.082 1.00 0.00 O ATOM 1349 CB VAL A 101 5.143 6.807 -1.638 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.411 6.129 -0.293 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.736 6.482 -2.145 1.00 0.00 C ATOM 0 H VAL A 101 4.826 8.316 -3.569 1.00 0.00 H new ATOM 0 HA VAL A 101 4.733 8.670 -0.719 1.00 0.00 H new ATOM 0 HB VAL A 101 5.859 6.414 -2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.253 5.055 -0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.440 6.319 0.011 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.731 6.530 0.458 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.611 5.401 -2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.997 6.896 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.596 6.918 -3.134 1.00 0.00 H new ATOM 1361 N HIS A 102 7.010 9.086 0.034 1.00 0.00 N ATOM 1362 CA HIS A 102 8.335 9.477 0.485 1.00 0.00 C ATOM 1363 C HIS A 102 8.892 8.409 1.428 1.00 0.00 C ATOM 1364 O HIS A 102 10.086 8.112 1.400 1.00 0.00 O ATOM 1365 CB HIS A 102 8.304 10.869 1.118 1.00 0.00 C ATOM 1366 CG HIS A 102 8.084 11.989 0.129 1.00 0.00 C ATOM 1367 ND1 HIS A 102 8.338 13.316 0.430 1.00 0.00 N ATOM 1368 CD2 HIS A 102 7.634 11.965 -1.159 1.00 0.00 C ATOM 1369 CE1 HIS A 102 8.049 14.049 -0.635 1.00 0.00 C ATOM 1370 NE2 HIS A 102 7.612 13.210 -1.618 1.00 0.00 N ATOM 0 H HIS A 102 6.284 9.136 0.749 1.00 0.00 H new ATOM 0 HA HIS A 102 9.009 9.545 -0.369 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.513 10.899 1.867 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.245 11.040 1.641 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.345 11.083 -1.711 1.00 0.00 H new ATOM 0 HE1 HIS A 102 8.143 15.122 -0.712 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.317 13.493 -2.552 1.00 0.00 H new ATOM 1378 N ALA A 103 8.001 7.860 2.241 1.00 0.00 N ATOM 1379 CA ALA A 103 8.389 6.831 3.191 1.00 0.00 C ATOM 1380 C ALA A 103 7.149 6.042 3.616 1.00 0.00 C ATOM 1381 O ALA A 103 6.141 6.628 4.007 1.00 0.00 O ATOM 1382 CB ALA A 103 9.106 7.477 4.379 1.00 0.00 C ATOM 0 H ALA A 103 7.012 8.108 2.261 1.00 0.00 H new ATOM 0 HA ALA A 103 9.085 6.128 2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.397 6.705 5.092 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.995 8.000 4.027 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.437 8.187 4.866 1.00 0.00 H new ATOM 1388 N LEU A 104 7.265 4.726 3.526 1.00 0.00 N ATOM 1389 CA LEU A 104 6.166 3.851 3.897 1.00 0.00 C ATOM 1390 C LEU A 104 6.728 2.542 4.457 1.00 0.00 C ATOM 1391 O LEU A 104 7.598 1.924 3.844 1.00 0.00 O ATOM 1392 CB LEU A 104 5.214 3.656 2.715 1.00 0.00 C ATOM 1393 CG LEU A 104 5.282 2.296 2.017 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.445 1.254 2.763 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.873 2.414 0.547 1.00 0.00 C ATOM 0 H LEU A 104 8.103 4.244 3.202 1.00 0.00 H new ATOM 0 HA LEU A 104 5.568 4.305 4.687 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.194 3.811 3.066 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.419 4.432 1.977 1.00 0.00 H new ATOM 0 HG LEU A 104 6.316 1.953 2.037 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.511 0.297 2.246 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.823 1.144 3.780 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.405 1.578 2.795 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.930 1.434 0.074 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.852 2.789 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.546 3.103 0.036 1.00 0.00 H new ATOM 1407 N ALA A 105 6.208 2.158 5.613 1.00 0.00 N ATOM 1408 CA ALA A 105 6.648 0.935 6.262 1.00 0.00 C ATOM 1409 C ALA A 105 6.103 -0.270 5.491 1.00 0.00 C ATOM 1410 O ALA A 105 4.960 -0.676 5.695 1.00 0.00 O ATOM 1411 CB ALA A 105 6.199 0.942 7.725 1.00 0.00 C ATOM 0 H ALA A 105 5.486 2.672 6.117 1.00 0.00 H new ATOM 0 HA ALA A 105 7.736 0.867 6.256 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.529 0.024 8.211 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.635 1.801 8.235 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.112 1.006 7.772 1.00 0.00 H new ATOM 1417 N ILE A 106 6.947 -0.807 4.623 1.00 0.00 N ATOM 1418 CA ILE A 106 6.564 -1.956 3.820 1.00 0.00 C ATOM 1419 C ILE A 106 6.712 -3.229 4.657 1.00 0.00 C ATOM 1420 O ILE A 106 7.796 -3.523 5.158 1.00 0.00 O ATOM 1421 CB ILE A 106 7.357 -1.985 2.512 1.00 0.00 C ATOM 1422 CG1 ILE A 106 7.244 -0.650 1.774 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.926 -3.163 1.636 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.759 -0.772 0.338 1.00 0.00 C ATOM 0 H ILE A 106 7.895 -0.468 4.458 1.00 0.00 H new ATOM 0 HA ILE A 106 5.516 -1.885 3.528 1.00 0.00 H new ATOM 0 HB ILE A 106 8.410 -2.132 2.753 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.204 -0.322 1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.814 0.113 2.305 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.505 -3.161 0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.100 -4.097 2.171 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.866 -3.072 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.667 0.191 -0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.806 -1.076 0.351 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.171 -1.518 -0.197 1.00 0.00 H new ATOM 1436 N GLN A 107 5.607 -3.949 4.782 1.00 0.00 N ATOM 1437 CA GLN A 107 5.601 -5.183 5.550 1.00 0.00 C ATOM 1438 C GLN A 107 5.744 -6.388 4.618 1.00 0.00 C ATOM 1439 O GLN A 107 4.773 -6.811 3.992 1.00 0.00 O ATOM 1440 CB GLN A 107 4.333 -5.293 6.399 1.00 0.00 C ATOM 1441 CG GLN A 107 4.678 -5.570 7.864 1.00 0.00 C ATOM 1442 CD GLN A 107 3.675 -4.892 8.800 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.217 -3.786 8.566 1.00 0.00 O ATOM 1444 NE2 GLN A 107 3.359 -5.616 9.871 1.00 0.00 N ATOM 0 H GLN A 107 4.710 -3.702 4.365 1.00 0.00 H new ATOM 0 HA GLN A 107 6.453 -5.171 6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.760 -4.369 6.325 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.700 -6.092 6.013 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.680 -6.645 8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.684 -5.209 8.079 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.779 -6.536 10.007 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.697 -5.251 10.556 1.00 0.00 H new ATOM 1453 N ALA A 108 6.961 -6.906 4.556 1.00 0.00 N ATOM 1454 CA ALA A 108 7.244 -8.054 3.711 1.00 0.00 C ATOM 1455 C ALA A 108 7.286 -9.318 4.573 1.00 0.00 C ATOM 1456 O ALA A 108 8.189 -9.486 5.391 1.00 0.00 O ATOM 1457 CB ALA A 108 8.552 -7.821 2.953 1.00 0.00 C ATOM 0 H ALA A 108 7.763 -6.552 5.077 1.00 0.00 H new ATOM 0 HA ALA A 108 6.457 -8.187 2.968 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.764 -8.682 2.319 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.460 -6.929 2.334 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.366 -7.686 3.665 1.00 0.00 H new ATOM 1463 N LYS A 109 6.298 -10.175 4.359 1.00 0.00 N ATOM 1464 CA LYS A 109 6.211 -11.418 5.106 1.00 0.00 C ATOM 1465 C LYS A 109 5.933 -12.571 4.139 1.00 0.00 C ATOM 1466 O LYS A 109 5.714 -12.348 2.949 1.00 0.00 O ATOM 1467 CB LYS A 109 5.181 -11.297 6.231 1.00 0.00 C ATOM 1468 CG LYS A 109 5.393 -10.010 7.031 1.00 0.00 C ATOM 1469 CD LYS A 109 5.313 -10.280 8.535 1.00 0.00 C ATOM 1470 CE LYS A 109 5.139 -8.977 9.318 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.517 -9.170 10.736 1.00 0.00 N ATOM 0 H LYS A 109 5.551 -10.033 3.679 1.00 0.00 H new ATOM 0 HA LYS A 109 7.160 -11.634 5.596 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.175 -11.307 5.811 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.258 -12.159 6.894 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.365 -9.581 6.786 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.640 -9.274 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.478 -10.948 8.744 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.219 -10.789 8.865 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.755 -8.194 8.875 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.104 -8.643 9.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.393 -8.276 11.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.912 -9.902 11.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.512 -9.468 10.793 1.00 0.00 H new ATOM 1485 N THR A 110 5.950 -13.777 4.686 1.00 0.00 N ATOM 1486 CA THR A 110 5.702 -14.965 3.887 1.00 0.00 C ATOM 1487 C THR A 110 4.354 -15.586 4.259 1.00 0.00 C ATOM 1488 O THR A 110 3.781 -15.259 5.297 1.00 0.00 O ATOM 1489 CB THR A 110 6.884 -15.918 4.077 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.273 -15.723 5.434 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.114 -15.493 3.272 1.00 0.00 C ATOM 0 H THR A 110 6.132 -13.957 5.673 1.00 0.00 H new ATOM 0 HA THR A 110 5.630 -14.721 2.827 1.00 0.00 H new ATOM 0 HB THR A 110 6.588 -16.925 3.784 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.034 -16.305 5.643 1.00 0.00 H new ATOM 0 HG21 THR A 110 8.924 -16.203 3.443 1.00 0.00 H new ATOM 0 HG22 THR A 110 7.866 -15.474 2.211 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.430 -14.499 3.588 1.00 0.00 H new ATOM 1499 N PRO A 111 3.875 -16.495 3.368 1.00 0.00 N ATOM 1500 CA PRO A 111 2.606 -17.166 3.593 1.00 0.00 C ATOM 1501 C PRO A 111 2.737 -18.242 4.672 1.00 0.00 C ATOM 1502 O PRO A 111 1.768 -18.929 4.991 1.00 0.00 O ATOM 1503 CB PRO A 111 2.213 -17.729 2.237 1.00 0.00 C ATOM 1504 CG PRO A 111 3.490 -17.757 1.412 1.00 0.00 C ATOM 1505 CD PRO A 111 4.526 -16.907 2.128 1.00 0.00 C ATOM 0 HA PRO A 111 1.836 -16.493 3.969 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.790 -18.729 2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.454 -17.108 1.761 1.00 0.00 H new ATOM 0 HG2 PRO A 111 3.848 -18.780 1.298 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.306 -17.370 0.410 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.435 -17.475 2.328 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.815 -16.045 1.527 1.00 0.00 H new ATOM 1513 N ALA A 112 3.944 -18.355 5.206 1.00 0.00 N ATOM 1514 CA ALA A 112 4.215 -19.335 6.243 1.00 0.00 C ATOM 1515 C ALA A 112 4.358 -18.622 7.589 1.00 0.00 C ATOM 1516 O ALA A 112 4.132 -19.220 8.640 1.00 0.00 O ATOM 1517 CB ALA A 112 5.464 -20.138 5.874 1.00 0.00 C ATOM 0 H ALA A 112 4.746 -17.783 4.940 1.00 0.00 H new ATOM 0 HA ALA A 112 3.388 -20.040 6.329 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.667 -20.873 6.653 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.301 -20.650 4.925 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.316 -19.464 5.781 1.00 0.00 H new ATOM 1523 N GLN A 113 4.733 -17.353 7.513 1.00 0.00 N ATOM 1524 CA GLN A 113 4.908 -16.552 8.713 1.00 0.00 C ATOM 1525 C GLN A 113 3.615 -15.805 9.046 1.00 0.00 C ATOM 1526 O GLN A 113 3.226 -15.719 10.209 1.00 0.00 O ATOM 1527 CB GLN A 113 6.079 -15.579 8.556 1.00 0.00 C ATOM 1528 CG GLN A 113 7.390 -16.332 8.325 1.00 0.00 C ATOM 1529 CD GLN A 113 8.052 -16.702 9.654 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.310 -17.857 9.949 1.00 0.00 O ATOM 1531 NE2 GLN A 113 8.310 -15.659 10.438 1.00 0.00 N ATOM 0 H GLN A 113 4.920 -16.860 6.640 1.00 0.00 H new ATOM 0 HA GLN A 113 5.142 -17.220 9.542 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.889 -14.908 7.719 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.164 -14.959 9.449 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.197 -17.236 7.747 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.069 -15.715 7.736 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.068 -14.717 10.130 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.750 -15.801 11.347 1.00 0.00 H new ATOM 1540 N TRP A 114 2.985 -15.283 8.003 1.00 0.00 N ATOM 1541 CA TRP A 114 1.744 -14.546 8.170 1.00 0.00 C ATOM 1542 C TRP A 114 0.758 -15.445 8.918 1.00 0.00 C ATOM 1543 O TRP A 114 -0.183 -14.956 9.543 1.00 0.00 O ATOM 1544 CB TRP A 114 1.208 -14.062 6.822 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.206 -13.481 6.887 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.371 -14.134 6.784 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.558 -12.094 7.074 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.445 -13.273 6.891 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.934 -11.993 7.073 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.260 -10.962 7.240 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.614 -10.780 7.233 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.435 -9.757 7.399 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.820 -9.639 7.400 1.00 0.00 C ATOM 0 H TRP A 114 3.311 -15.356 7.039 1.00 0.00 H new ATOM 0 HA TRP A 114 1.907 -13.643 8.758 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.883 -13.304 6.425 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.215 -14.895 6.119 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.459 -15.200 6.636 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.431 -13.529 6.845 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.339 -11.018 7.244 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.693 -10.727 7.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.146 -8.856 7.530 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.282 -8.671 7.529 1.00 0.00 H new ATOM 1564 N ARG A 115 1.005 -16.744 8.830 1.00 0.00 N ATOM 1565 CA ARG A 115 0.151 -17.715 9.490 1.00 0.00 C ATOM 1566 C ARG A 115 0.254 -17.567 11.009 1.00 0.00 C ATOM 1567 O ARG A 115 -0.762 -17.499 11.701 1.00 0.00 O ATOM 1568 CB ARG A 115 0.533 -19.144 9.097 1.00 0.00 C ATOM 1569 CG ARG A 115 0.418 -19.345 7.584 1.00 0.00 C ATOM 1570 CD ARG A 115 0.747 -20.788 7.197 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.479 -21.484 6.746 1.00 0.00 N ATOM 1572 CZ ARG A 115 -0.549 -22.800 6.502 1.00 0.00 C ATOM 1573 NH1 ARG A 115 0.535 -23.570 6.663 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -1.704 -23.345 6.097 1.00 0.00 N ATOM 0 H ARG A 115 1.785 -17.146 8.311 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.874 -17.525 9.171 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.553 -19.353 9.419 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.116 -19.853 9.612 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.592 -19.098 7.256 1.00 0.00 H new ATOM 0 HG3 ARG A 115 1.096 -18.663 7.070 1.00 0.00 H new ATOM 0 HD2 ARG A 115 1.494 -20.799 6.403 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.180 -21.312 8.049 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.323 -20.927 6.613 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.414 -23.155 6.971 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.481 -24.572 6.477 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.529 -22.758 5.974 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.758 -24.346 5.911 1.00 0.00 H new ATOM 1588 N GLU A 116 1.490 -17.522 11.485 1.00 0.00 N ATOM 1589 CA GLU A 116 1.738 -17.383 12.910 1.00 0.00 C ATOM 1590 C GLU A 116 1.105 -16.094 13.436 1.00 0.00 C ATOM 1591 O GLU A 116 0.390 -16.114 14.438 1.00 0.00 O ATOM 1592 CB GLU A 116 3.238 -17.420 13.210 1.00 0.00 C ATOM 1593 CG GLU A 116 3.697 -18.841 13.543 1.00 0.00 C ATOM 1594 CD GLU A 116 3.951 -18.998 15.044 1.00 0.00 C ATOM 1595 OE1 GLU A 116 3.133 -18.455 15.818 1.00 0.00 O ATOM 1596 OE2 GLU A 116 4.957 -19.657 15.383 1.00 0.00 O ATOM 0 H GLU A 116 2.330 -17.579 10.909 1.00 0.00 H new ATOM 0 HA GLU A 116 1.276 -18.226 13.424 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.794 -17.047 12.350 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.462 -16.757 14.046 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.940 -19.556 13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.608 -19.072 12.990 1.00 0.00 H new ATOM 1603 N ASN A 117 1.389 -15.005 12.739 1.00 0.00 N ATOM 1604 CA ASN A 117 0.856 -13.709 13.123 1.00 0.00 C ATOM 1605 C ASN A 117 0.373 -12.970 11.874 1.00 0.00 C ATOM 1606 O ASN A 117 1.110 -12.173 11.295 1.00 0.00 O ATOM 1607 CB ASN A 117 1.929 -12.850 13.796 1.00 0.00 C ATOM 1608 CG ASN A 117 1.296 -11.696 14.577 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.732 -11.872 15.645 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.422 -10.511 13.988 1.00 0.00 N ATOM 0 H ASN A 117 1.982 -14.993 11.909 1.00 0.00 H new ATOM 0 HA ASN A 117 0.036 -13.875 13.822 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.524 -13.467 14.470 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.609 -12.454 13.042 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.034 -9.678 14.430 1.00 0.00 H new ATOM 0 HD22 ASN A 117 1.906 -10.435 13.094 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.896 -13.268 11.484 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.486 -12.641 10.314 1.00 0.00 C ATOM 1619 C PRO A 118 -1.880 -11.192 10.609 1.00 0.00 C ATOM 1620 O PRO A 118 -2.428 -10.506 9.747 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.675 -13.518 9.955 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.982 -14.333 11.201 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.798 -14.206 12.145 1.00 0.00 C ATOM 0 HA PRO A 118 -0.791 -12.573 9.477 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.533 -12.913 9.663 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.441 -14.167 9.111 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.892 -13.971 11.679 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.153 -15.378 10.941 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.108 -13.835 13.122 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.317 -15.170 12.308 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.586 -10.769 11.829 1.00 0.00 N ATOM 1632 CA GLN A 119 -1.902 -9.414 12.248 1.00 0.00 C ATOM 1633 C GLN A 119 -0.866 -8.432 11.696 1.00 0.00 C ATOM 1634 O GLN A 119 0.135 -8.844 11.113 1.00 0.00 O ATOM 1635 CB GLN A 119 -1.991 -9.318 13.772 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.436 -9.098 14.224 1.00 0.00 C ATOM 1637 CD GLN A 119 -3.747 -7.606 14.362 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -3.134 -6.887 15.134 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -4.730 -7.183 13.572 1.00 0.00 N ATOM 0 H GLN A 119 -1.132 -11.341 12.541 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.878 -9.148 11.843 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.601 -10.231 14.221 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.367 -8.497 14.125 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.119 -9.550 13.505 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -3.602 -9.597 15.178 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -5.202 -7.839 12.949 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -5.012 -6.203 13.589 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.143 -7.153 11.900 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.248 -6.109 11.430 1.00 0.00 C ATOM 1650 C LEU A 120 -0.215 -4.972 12.454 1.00 0.00 C ATOM 1651 O LEU A 120 -0.911 -5.024 13.467 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.643 -5.657 10.023 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.377 -6.659 8.898 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.323 -6.423 7.718 1.00 0.00 C ATOM 1655 CD2 LEU A 120 1.092 -6.625 8.470 1.00 0.00 C ATOM 0 H LEU A 120 -1.975 -6.816 12.385 1.00 0.00 H new ATOM 0 HA LEU A 120 0.769 -6.491 11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.706 -5.417 10.025 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.108 -4.735 9.795 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.579 -7.661 9.278 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.113 -7.149 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.355 -6.537 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.176 -5.415 7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.254 -7.346 7.669 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.345 -5.626 8.115 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.725 -6.878 9.321 1.00 0.00 H new