USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=9 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 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.186 K(o=-0.19,f=-2.2!) 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 -47:sc= 0.474! USER MOD Single : A 67 HIS : no HD1:sc= -0.764 X(o=-0.76,f=-0.28) USER MOD Single : A 74 SER OG : rot 150:sc= -1.92! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -118:sc= -5.71! (180deg=-16.1!) USER MOD Single : A 86 HIS : no HD1:sc= -0.443 X(o=-0.44,f=-0.66) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -2.16 F(o=-2.7!,f=-2.2) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -0.562 K(o=-0.56,f=-1.4) USER MOD Single : A 107 GLN : amide:sc= -3.09! C(o=-3.1!,f=-5.5!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot 150:sc= -1.18 USER MOD Single : A 113 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.61) USER MOD Single : A 117 ASN : amide:sc= -0.094 K(o=-0.094,f=-1.3!) USER MOD Single : A 119 GLN : amide:sc= -0.0148 X(o=-0.015,f=0) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.367 6.356 -5.512 1.00 0.00 N ATOM 302 CA VAL A 32 -1.965 5.976 -5.499 1.00 0.00 C ATOM 303 C VAL A 32 -1.830 4.557 -4.944 1.00 0.00 C ATOM 304 O VAL A 32 -1.301 3.672 -5.615 1.00 0.00 O ATOM 305 CB VAL A 32 -1.152 7.006 -4.712 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.334 6.640 -4.701 1.00 0.00 C ATOM 307 CG2 VAL A 32 -1.366 8.415 -5.268 1.00 0.00 C ATOM 0 HA VAL A 32 -1.562 5.968 -6.512 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.507 6.996 -3.681 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.889 7.388 -4.135 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.465 5.663 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.708 6.608 -5.724 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.777 9.127 -4.691 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.052 8.446 -6.311 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.422 8.677 -5.199 1.00 0.00 H new ATOM 317 N GLU A 33 -2.318 4.384 -3.725 1.00 0.00 N ATOM 318 CA GLU A 33 -2.259 3.087 -3.072 1.00 0.00 C ATOM 319 C GLU A 33 -2.805 2.000 -4.000 1.00 0.00 C ATOM 320 O GLU A 33 -2.223 0.921 -4.108 1.00 0.00 O ATOM 321 CB GLU A 33 -3.018 3.106 -1.744 1.00 0.00 C ATOM 322 CG GLU A 33 -3.489 1.702 -1.361 1.00 0.00 C ATOM 323 CD GLU A 33 -4.916 1.448 -1.854 1.00 0.00 C ATOM 324 OE1 GLU A 33 -5.561 2.440 -2.259 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.329 0.269 -1.815 1.00 0.00 O ATOM 0 H GLU A 33 -2.756 5.120 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.216 2.860 -2.853 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.375 3.504 -0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.877 3.773 -1.821 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.815 0.959 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -3.448 1.584 -0.278 1.00 0.00 H new ATOM 332 N ALA A 34 -3.916 2.322 -4.647 1.00 0.00 N ATOM 333 CA ALA A 34 -4.546 1.386 -5.562 1.00 0.00 C ATOM 334 C ALA A 34 -3.495 0.838 -6.529 1.00 0.00 C ATOM 335 O ALA A 34 -3.389 -0.374 -6.714 1.00 0.00 O ATOM 336 CB ALA A 34 -5.700 2.082 -6.288 1.00 0.00 C ATOM 0 H ALA A 34 -4.395 3.218 -4.555 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.965 0.540 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.174 1.381 -6.975 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.433 2.427 -5.559 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.316 2.935 -6.848 1.00 0.00 H new ATOM 342 N ALA A 35 -2.745 1.756 -7.120 1.00 0.00 N ATOM 343 CA ALA A 35 -1.705 1.379 -8.063 1.00 0.00 C ATOM 344 C ALA A 35 -0.655 0.530 -7.345 1.00 0.00 C ATOM 345 O ALA A 35 -0.284 -0.541 -7.824 1.00 0.00 O ATOM 346 CB ALA A 35 -1.106 2.639 -8.692 1.00 0.00 C ATOM 0 H ALA A 35 -2.836 2.760 -6.964 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.119 0.776 -8.871 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.326 2.357 -9.399 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.887 3.191 -9.214 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.678 3.267 -7.911 1.00 0.00 H new ATOM 352 N ILE A 36 -0.205 1.038 -6.207 1.00 0.00 N ATOM 353 CA ILE A 36 0.795 0.339 -5.419 1.00 0.00 C ATOM 354 C ILE A 36 0.378 -1.123 -5.253 1.00 0.00 C ATOM 355 O ILE A 36 1.148 -2.031 -5.561 1.00 0.00 O ATOM 356 CB ILE A 36 1.035 1.064 -4.092 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.501 2.502 -4.330 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.010 0.283 -3.209 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.839 3.194 -3.008 1.00 0.00 C ATOM 0 H ILE A 36 -0.515 1.926 -5.812 1.00 0.00 H new ATOM 0 HA ILE A 36 1.755 0.340 -5.935 1.00 0.00 H new ATOM 0 HB ILE A 36 0.088 1.117 -3.555 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.377 2.502 -4.979 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.721 3.060 -4.848 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.163 0.820 -2.273 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.599 -0.704 -2.998 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.964 0.176 -3.726 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.167 4.214 -3.205 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.955 3.214 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.636 2.647 -2.504 1.00 0.00 H new ATOM 371 N ARG A 37 -0.841 -1.306 -4.767 1.00 0.00 N ATOM 372 CA ARG A 37 -1.371 -2.643 -4.558 1.00 0.00 C ATOM 373 C ARG A 37 -1.572 -3.351 -5.899 1.00 0.00 C ATOM 374 O ARG A 37 -0.938 -4.370 -6.168 1.00 0.00 O ATOM 375 CB ARG A 37 -2.704 -2.596 -3.809 1.00 0.00 C ATOM 376 CG ARG A 37 -3.088 -3.981 -3.285 1.00 0.00 C ATOM 377 CD ARG A 37 -4.559 -4.288 -3.573 1.00 0.00 C ATOM 378 NE ARG A 37 -5.024 -5.396 -2.709 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.302 -5.784 -2.607 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.251 -5.156 -3.315 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.632 -6.799 -1.797 1.00 0.00 N ATOM 0 H ARG A 37 -1.477 -0.551 -4.512 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.649 -3.195 -3.957 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.633 -1.895 -2.977 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.485 -2.225 -4.473 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.457 -4.738 -3.751 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.906 -4.031 -2.211 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -5.166 -3.400 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.684 -4.557 -4.622 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.327 -5.896 -2.156 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -7.000 -4.383 -3.931 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -8.224 -5.451 -3.238 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.910 -7.277 -1.258 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.605 -7.094 -1.720 1.00 0.00 H new ATOM 395 N ALA A 38 -2.456 -2.782 -6.705 1.00 0.00 N ATOM 396 CA ALA A 38 -2.748 -3.346 -8.012 1.00 0.00 C ATOM 397 C ALA A 38 -1.445 -3.809 -8.666 1.00 0.00 C ATOM 398 O ALA A 38 -1.417 -4.832 -9.347 1.00 0.00 O ATOM 399 CB ALA A 38 -3.491 -2.311 -8.860 1.00 0.00 C ATOM 0 H ALA A 38 -2.980 -1.936 -6.478 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.397 -4.217 -7.918 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.710 -2.734 -9.841 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.423 -2.038 -8.366 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.869 -1.424 -8.978 1.00 0.00 H new ATOM 405 N LYS A 39 -0.397 -3.032 -8.437 1.00 0.00 N ATOM 406 CA LYS A 39 0.907 -3.349 -8.995 1.00 0.00 C ATOM 407 C LYS A 39 1.461 -4.598 -8.307 1.00 0.00 C ATOM 408 O LYS A 39 1.549 -5.661 -8.919 1.00 0.00 O ATOM 409 CB LYS A 39 1.836 -2.136 -8.910 1.00 0.00 C ATOM 410 CG LYS A 39 1.432 -1.065 -9.925 1.00 0.00 C ATOM 411 CD LYS A 39 2.556 -0.813 -10.933 1.00 0.00 C ATOM 412 CE LYS A 39 2.216 0.363 -11.850 1.00 0.00 C ATOM 413 NZ LYS A 39 2.204 -0.069 -13.265 1.00 0.00 N ATOM 0 H LYS A 39 -0.424 -2.183 -7.872 1.00 0.00 H new ATOM 0 HA LYS A 39 0.821 -3.581 -10.057 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.804 -1.719 -7.903 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.864 -2.447 -9.094 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.531 -1.379 -10.451 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.191 -0.138 -9.405 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.486 -0.608 -10.403 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.721 -1.709 -11.531 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.242 0.772 -11.580 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.946 1.161 -11.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.971 0.742 -13.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.141 -0.438 -13.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.491 -0.815 -13.394 1.00 0.00 H new ATOM 427 N LEU A 40 1.822 -4.427 -7.043 1.00 0.00 N ATOM 428 CA LEU A 40 2.365 -5.527 -6.265 1.00 0.00 C ATOM 429 C LEU A 40 1.469 -6.756 -6.432 1.00 0.00 C ATOM 430 O LEU A 40 1.919 -7.886 -6.250 1.00 0.00 O ATOM 431 CB LEU A 40 2.566 -5.105 -4.808 1.00 0.00 C ATOM 432 CG LEU A 40 3.588 -3.992 -4.568 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.642 -3.608 -3.087 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.964 -4.384 -5.109 1.00 0.00 C ATOM 0 H LEU A 40 1.749 -3.543 -6.539 1.00 0.00 H new ATOM 0 HA LEU A 40 3.354 -5.801 -6.632 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.605 -4.781 -4.408 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.871 -5.981 -4.235 1.00 0.00 H new ATOM 0 HG LEU A 40 3.266 -3.108 -5.119 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.376 -2.815 -2.943 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.661 -3.257 -2.766 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.927 -4.478 -2.496 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.671 -3.575 -4.925 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.308 -5.288 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.894 -4.569 -6.181 1.00 0.00 H new ATOM 446 N GLU A 41 0.216 -6.493 -6.774 1.00 0.00 N ATOM 447 CA GLU A 41 -0.747 -7.563 -6.967 1.00 0.00 C ATOM 448 C GLU A 41 -0.339 -8.438 -8.154 1.00 0.00 C ATOM 449 O GLU A 41 -0.422 -9.664 -8.084 1.00 0.00 O ATOM 450 CB GLU A 41 -2.158 -7.003 -7.159 1.00 0.00 C ATOM 451 CG GLU A 41 -2.892 -6.895 -5.821 1.00 0.00 C ATOM 452 CD GLU A 41 -4.372 -6.572 -6.032 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.663 -5.860 -7.018 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.180 -7.044 -5.203 1.00 0.00 O ATOM 0 H GLU A 41 -0.154 -5.554 -6.922 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.756 -8.183 -6.070 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.102 -6.020 -7.628 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.720 -7.647 -7.835 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.795 -7.832 -5.272 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.430 -6.119 -5.210 1.00 0.00 H new ATOM 461 N GLN A 42 0.094 -7.775 -9.216 1.00 0.00 N ATOM 462 CA GLN A 42 0.516 -8.477 -10.416 1.00 0.00 C ATOM 463 C GLN A 42 2.042 -8.466 -10.529 1.00 0.00 C ATOM 464 O GLN A 42 2.604 -9.055 -11.451 1.00 0.00 O ATOM 465 CB GLN A 42 -0.130 -7.869 -11.663 1.00 0.00 C ATOM 466 CG GLN A 42 0.267 -6.400 -11.825 1.00 0.00 C ATOM 467 CD GLN A 42 -0.201 -5.851 -13.174 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.275 -5.287 -13.306 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.662 -6.048 -14.167 1.00 0.00 N ATOM 0 H GLN A 42 0.162 -6.759 -9.270 1.00 0.00 H new ATOM 0 HA GLN A 42 0.184 -9.513 -10.343 1.00 0.00 H new ATOM 0 HB2 GLN A 42 0.175 -8.431 -12.546 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.215 -7.951 -11.592 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.168 -5.811 -11.018 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.349 -6.301 -11.744 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.544 -6.528 -13.988 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.441 -5.719 -15.107 1.00 0.00 H new ATOM 478 N ALA A 43 2.669 -7.790 -9.577 1.00 0.00 N ATOM 479 CA ALA A 43 4.119 -7.695 -9.558 1.00 0.00 C ATOM 480 C ALA A 43 4.678 -8.698 -8.547 1.00 0.00 C ATOM 481 O ALA A 43 5.862 -9.030 -8.586 1.00 0.00 O ATOM 482 CB ALA A 43 4.532 -6.256 -9.242 1.00 0.00 C ATOM 0 H ALA A 43 2.199 -7.303 -8.814 1.00 0.00 H new ATOM 0 HA ALA A 43 4.533 -7.946 -10.534 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.620 -6.184 -9.228 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.134 -5.587 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.137 -5.970 -8.267 1.00 0.00 H new ATOM 488 N LEU A 44 3.800 -9.152 -7.665 1.00 0.00 N ATOM 489 CA LEU A 44 4.191 -10.110 -6.645 1.00 0.00 C ATOM 490 C LEU A 44 3.136 -11.215 -6.558 1.00 0.00 C ATOM 491 O LEU A 44 3.473 -12.398 -6.513 1.00 0.00 O ATOM 492 CB LEU A 44 4.449 -9.401 -5.314 1.00 0.00 C ATOM 493 CG LEU A 44 5.608 -8.401 -5.301 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.590 -7.559 -4.024 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.948 -9.111 -5.501 1.00 0.00 C ATOM 0 H LEU A 44 2.819 -8.874 -7.636 1.00 0.00 H new ATOM 0 HA LEU A 44 5.133 -10.588 -6.913 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.539 -8.877 -5.022 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.639 -10.158 -4.553 1.00 0.00 H new ATOM 0 HG LEU A 44 5.479 -7.717 -6.140 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.423 -6.857 -4.040 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.652 -7.007 -3.965 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.682 -8.212 -3.156 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.754 -8.377 -5.488 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.101 -9.833 -4.699 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.945 -9.630 -6.460 1.00 0.00 H new ATOM 507 N SER A 45 1.881 -10.791 -6.536 1.00 0.00 N ATOM 508 CA SER A 45 0.775 -11.730 -6.455 1.00 0.00 C ATOM 509 C SER A 45 0.835 -12.496 -5.132 1.00 0.00 C ATOM 510 O SER A 45 0.897 -13.724 -5.124 1.00 0.00 O ATOM 511 CB SER A 45 0.793 -12.705 -7.634 1.00 0.00 C ATOM 512 OG SER A 45 -0.511 -12.921 -8.168 1.00 0.00 O ATOM 0 H SER A 45 1.605 -9.810 -6.573 1.00 0.00 H new ATOM 0 HA SER A 45 -0.157 -11.166 -6.499 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.445 -12.316 -8.416 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.215 -13.657 -7.311 1.00 0.00 H new ATOM 0 HG SER A 45 -0.457 -13.548 -8.920 1.00 0.00 H new ATOM 518 N PRO A 46 0.812 -11.718 -4.017 1.00 0.00 N ATOM 519 CA PRO A 46 0.863 -12.311 -2.691 1.00 0.00 C ATOM 520 C PRO A 46 -0.481 -12.941 -2.320 1.00 0.00 C ATOM 521 O PRO A 46 -1.428 -12.899 -3.104 1.00 0.00 O ATOM 522 CB PRO A 46 1.259 -11.171 -1.766 1.00 0.00 C ATOM 523 CG PRO A 46 0.964 -9.891 -2.531 1.00 0.00 C ATOM 524 CD PRO A 46 0.739 -10.261 -3.988 1.00 0.00 C ATOM 0 HA PRO A 46 1.580 -13.130 -2.624 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.693 -11.209 -0.835 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.314 -11.233 -1.500 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.083 -9.396 -2.122 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.794 -9.191 -2.439 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.229 -9.906 -4.341 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.497 -9.814 -4.631 1.00 0.00 H new ATOM 532 N GLU A 47 -0.522 -13.511 -1.125 1.00 0.00 N ATOM 533 CA GLU A 47 -1.734 -14.149 -0.641 1.00 0.00 C ATOM 534 C GLU A 47 -2.524 -13.185 0.246 1.00 0.00 C ATOM 535 O GLU A 47 -3.716 -13.383 0.476 1.00 0.00 O ATOM 536 CB GLU A 47 -1.410 -15.443 0.109 1.00 0.00 C ATOM 537 CG GLU A 47 -0.789 -16.480 -0.830 1.00 0.00 C ATOM 538 CD GLU A 47 -1.734 -17.664 -1.041 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.849 -17.417 -1.550 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.320 -18.790 -0.689 1.00 0.00 O ATOM 0 H GLU A 47 0.265 -13.544 -0.477 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.352 -14.410 -1.500 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.723 -15.231 0.928 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.319 -15.848 0.553 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.561 -16.016 -1.790 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.155 -16.833 -0.415 1.00 0.00 H new ATOM 547 N VAL A 48 -1.828 -12.162 0.720 1.00 0.00 N ATOM 548 CA VAL A 48 -2.449 -11.167 1.577 1.00 0.00 C ATOM 549 C VAL A 48 -1.807 -9.803 1.316 1.00 0.00 C ATOM 550 O VAL A 48 -0.667 -9.564 1.712 1.00 0.00 O ATOM 551 CB VAL A 48 -2.354 -11.603 3.040 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.081 -10.615 3.955 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.894 -13.022 3.226 1.00 0.00 C ATOM 0 H VAL A 48 -0.840 -12.001 0.527 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.511 -11.075 1.348 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.301 -11.607 3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.998 -10.948 4.989 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.631 -9.627 3.855 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.133 -10.564 3.673 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.815 -13.307 4.275 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.939 -13.057 2.919 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.313 -13.715 2.617 1.00 0.00 H new ATOM 563 N LEU A 49 -2.565 -8.944 0.651 1.00 0.00 N ATOM 564 CA LEU A 49 -2.084 -7.611 0.333 1.00 0.00 C ATOM 565 C LEU A 49 -2.998 -6.573 0.988 1.00 0.00 C ATOM 566 O LEU A 49 -4.144 -6.402 0.577 1.00 0.00 O ATOM 567 CB LEU A 49 -1.945 -7.439 -1.181 1.00 0.00 C ATOM 568 CG LEU A 49 -0.554 -7.050 -1.687 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.418 -7.331 -3.185 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.234 -5.593 -1.346 1.00 0.00 C ATOM 0 H LEU A 49 -3.510 -9.146 0.323 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.085 -7.459 0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.236 -8.373 -1.661 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.654 -6.678 -1.507 1.00 0.00 H new ATOM 0 HG LEU A 49 0.182 -7.670 -1.174 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.579 -7.046 -3.520 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.573 -8.394 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.163 -6.754 -3.733 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.760 -5.342 -1.717 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.971 -4.940 -1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.263 -5.458 -0.265 1.00 0.00 H new ATOM 582 N GLU A 50 -2.456 -5.909 1.998 1.00 0.00 N ATOM 583 CA GLU A 50 -3.208 -4.893 2.715 1.00 0.00 C ATOM 584 C GLU A 50 -2.435 -3.572 2.730 1.00 0.00 C ATOM 585 O GLU A 50 -1.243 -3.550 3.032 1.00 0.00 O ATOM 586 CB GLU A 50 -3.534 -5.353 4.137 1.00 0.00 C ATOM 587 CG GLU A 50 -4.750 -6.282 4.147 1.00 0.00 C ATOM 588 CD GLU A 50 -6.048 -5.484 4.295 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.094 -4.643 5.218 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.963 -5.734 3.482 1.00 0.00 O ATOM 0 H GLU A 50 -1.505 -6.055 2.337 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.152 -4.733 2.195 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.674 -5.870 4.562 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.729 -4.486 4.768 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.778 -6.861 3.224 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.661 -6.994 4.967 1.00 0.00 H new ATOM 597 N LEU A 51 -3.146 -2.504 2.401 1.00 0.00 N ATOM 598 CA LEU A 51 -2.542 -1.183 2.373 1.00 0.00 C ATOM 599 C LEU A 51 -3.434 -0.202 3.137 1.00 0.00 C ATOM 600 O LEU A 51 -4.657 -0.333 3.127 1.00 0.00 O ATOM 601 CB LEU A 51 -2.253 -0.756 0.932 1.00 0.00 C ATOM 602 CG LEU A 51 -0.996 0.091 0.723 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.578 0.099 -0.749 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.192 1.507 1.270 1.00 0.00 C ATOM 0 H LEU A 51 -4.135 -2.526 2.152 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.576 -1.196 2.878 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.169 -1.653 0.318 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.111 -0.195 0.561 1.00 0.00 H new ATOM 0 HG LEU A 51 -0.181 -0.363 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.318 0.708 -0.870 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.370 -0.921 -1.074 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.384 0.515 -1.354 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.284 2.088 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.025 1.984 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.407 1.458 2.337 1.00 0.00 H new ATOM 616 N ARG A 52 -2.787 0.758 3.781 1.00 0.00 N ATOM 617 CA ARG A 52 -3.507 1.760 4.549 1.00 0.00 C ATOM 618 C ARG A 52 -2.724 3.074 4.572 1.00 0.00 C ATOM 619 O ARG A 52 -1.503 3.071 4.719 1.00 0.00 O ATOM 620 CB ARG A 52 -3.741 1.289 5.986 1.00 0.00 C ATOM 621 CG ARG A 52 -4.400 2.388 6.822 1.00 0.00 C ATOM 622 CD ARG A 52 -3.353 3.190 7.597 1.00 0.00 C ATOM 623 NE ARG A 52 -3.985 4.370 8.228 1.00 0.00 N ATOM 624 CZ ARG A 52 -4.678 4.329 9.374 1.00 0.00 C ATOM 625 NH1 ARG A 52 -4.832 3.166 10.022 1.00 0.00 N ATOM 626 NH2 ARG A 52 -5.216 5.450 9.873 1.00 0.00 N ATOM 0 H ARG A 52 -1.772 0.863 3.787 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.473 1.916 4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.373 0.401 5.983 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -2.791 1.003 6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.966 3.055 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.111 1.943 7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -2.893 2.562 8.360 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.557 3.510 6.925 1.00 0.00 H new ATOM 0 HE ARG A 52 -3.887 5.271 7.761 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -4.422 2.313 9.643 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.359 3.134 10.894 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.098 6.335 9.380 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.743 5.418 10.745 1.00 0.00 H new ATOM 794 N THR A 66 2.289 10.447 1.967 1.00 0.00 N ATOM 795 CA THR A 66 3.642 9.925 2.056 1.00 0.00 C ATOM 796 C THR A 66 3.684 8.707 2.980 1.00 0.00 C ATOM 797 O THR A 66 3.840 7.577 2.519 1.00 0.00 O ATOM 798 CB THR A 66 4.560 11.062 2.507 1.00 0.00 C ATOM 799 OG1 THR A 66 4.073 11.408 3.801 1.00 0.00 O ATOM 800 CG2 THR A 66 4.363 12.336 1.683 1.00 0.00 C ATOM 0 HA THR A 66 3.993 9.571 1.087 1.00 0.00 H new ATOM 0 HB THR A 66 5.599 10.740 2.435 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.097 11.487 3.773 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.039 13.111 2.044 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.577 12.128 0.635 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.333 12.678 1.782 1.00 0.00 H new ATOM 808 N HIS A 67 3.543 8.977 4.270 1.00 0.00 N ATOM 809 CA HIS A 67 3.563 7.917 5.263 1.00 0.00 C ATOM 810 C HIS A 67 2.474 6.892 4.941 1.00 0.00 C ATOM 811 O HIS A 67 1.285 7.196 5.022 1.00 0.00 O ATOM 812 CB HIS A 67 3.435 8.494 6.675 1.00 0.00 C ATOM 813 CG HIS A 67 4.726 8.495 7.457 1.00 0.00 C ATOM 814 ND1 HIS A 67 4.808 8.927 8.769 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.986 8.111 7.099 1.00 0.00 C ATOM 816 CE1 HIS A 67 6.064 8.805 9.172 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.793 8.300 8.136 1.00 0.00 N ATOM 0 H HIS A 67 3.414 9.915 4.650 1.00 0.00 H new ATOM 0 HA HIS A 67 4.522 7.400 5.229 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.063 9.516 6.606 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.689 7.920 7.225 1.00 0.00 H new ATOM 0 HD2 HIS A 67 6.277 7.720 6.135 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.444 9.061 10.150 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.793 8.100 8.155 1.00 0.00 H new ATOM 825 N PHE A 68 2.920 5.696 4.583 1.00 0.00 N ATOM 826 CA PHE A 68 1.999 4.624 4.248 1.00 0.00 C ATOM 827 C PHE A 68 2.381 3.329 4.968 1.00 0.00 C ATOM 828 O PHE A 68 3.440 3.248 5.588 1.00 0.00 O ATOM 829 CB PHE A 68 2.100 4.403 2.738 1.00 0.00 C ATOM 830 CG PHE A 68 0.951 5.023 1.940 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.300 4.497 2.029 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.181 6.100 1.142 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.366 5.073 1.288 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.115 6.676 0.401 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.136 6.150 0.490 1.00 0.00 C ATOM 0 H PHE A 68 3.907 5.447 4.518 1.00 0.00 H new ATOM 0 HA PHE A 68 0.988 4.893 4.553 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.042 4.820 2.382 1.00 0.00 H new ATOM 0 HB3 PHE A 68 2.130 3.332 2.539 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.483 3.642 2.663 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.175 6.517 1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.360 4.656 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.298 7.531 -0.233 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.947 6.588 -0.073 1.00 0.00 H new ATOM 845 N ARG A 69 1.498 2.347 4.860 1.00 0.00 N ATOM 846 CA ARG A 69 1.729 1.059 5.493 1.00 0.00 C ATOM 847 C ARG A 69 1.049 -0.054 4.694 1.00 0.00 C ATOM 848 O ARG A 69 -0.177 -0.144 4.668 1.00 0.00 O ATOM 849 CB ARG A 69 1.196 1.047 6.927 1.00 0.00 C ATOM 850 CG ARG A 69 1.942 0.019 7.780 1.00 0.00 C ATOM 851 CD ARG A 69 2.035 0.479 9.237 1.00 0.00 C ATOM 852 NE ARG A 69 3.351 1.110 9.485 1.00 0.00 N ATOM 853 CZ ARG A 69 4.470 0.429 9.765 1.00 0.00 C ATOM 854 NH1 ARG A 69 4.441 -0.909 9.833 1.00 0.00 N ATOM 855 NH2 ARG A 69 5.619 1.085 9.976 1.00 0.00 N ATOM 0 H ARG A 69 0.621 2.417 4.344 1.00 0.00 H new ATOM 0 HA ARG A 69 2.805 0.889 5.516 1.00 0.00 H new ATOM 0 HB2 ARG A 69 1.305 2.038 7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.131 0.816 6.921 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.429 -0.941 7.730 1.00 0.00 H new ATOM 0 HG3 ARG A 69 2.944 -0.134 7.378 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.236 1.187 9.455 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.898 -0.371 9.905 1.00 0.00 H new ATOM 0 HE ARG A 69 3.409 2.127 9.440 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.567 -1.409 9.672 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.293 -1.427 10.046 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.642 2.103 9.923 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.471 0.566 10.189 1.00 0.00 H new ATOM 869 N VAL A 70 1.876 -0.875 4.062 1.00 0.00 N ATOM 870 CA VAL A 70 1.370 -1.979 3.265 1.00 0.00 C ATOM 871 C VAL A 70 1.808 -3.302 3.897 1.00 0.00 C ATOM 872 O VAL A 70 2.813 -3.353 4.604 1.00 0.00 O ATOM 873 CB VAL A 70 1.829 -1.830 1.813 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.228 -2.418 1.617 1.00 0.00 C ATOM 875 CG2 VAL A 70 0.825 -2.469 0.852 1.00 0.00 C ATOM 0 H VAL A 70 2.893 -0.797 4.086 1.00 0.00 H new ATOM 0 HA VAL A 70 0.280 -1.971 3.250 1.00 0.00 H new ATOM 0 HB VAL A 70 1.879 -0.765 1.585 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.530 -2.299 0.576 1.00 0.00 H new ATOM 0 HG12 VAL A 70 3.935 -1.897 2.262 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.216 -3.478 1.873 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.175 -2.349 -0.173 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.728 -3.530 1.080 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.145 -1.984 0.963 1.00 0.00 H new ATOM 885 N ALA A 71 1.031 -4.339 3.620 1.00 0.00 N ATOM 886 CA ALA A 71 1.327 -5.658 4.153 1.00 0.00 C ATOM 887 C ALA A 71 1.253 -6.688 3.023 1.00 0.00 C ATOM 888 O ALA A 71 0.167 -7.127 2.648 1.00 0.00 O ATOM 889 CB ALA A 71 0.359 -5.976 5.295 1.00 0.00 C ATOM 0 H ALA A 71 0.198 -4.293 3.034 1.00 0.00 H new ATOM 0 HA ALA A 71 2.337 -5.689 4.563 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.581 -6.965 5.695 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.470 -5.232 6.084 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.664 -5.957 4.920 1.00 0.00 H new ATOM 895 N VAL A 72 2.423 -7.043 2.513 1.00 0.00 N ATOM 896 CA VAL A 72 2.506 -8.013 1.434 1.00 0.00 C ATOM 897 C VAL A 72 2.798 -9.396 2.018 1.00 0.00 C ATOM 898 O VAL A 72 3.593 -9.526 2.948 1.00 0.00 O ATOM 899 CB VAL A 72 3.548 -7.565 0.407 1.00 0.00 C ATOM 900 CG1 VAL A 72 4.965 -7.711 0.964 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.392 -8.339 -0.904 1.00 0.00 C ATOM 0 H VAL A 72 3.322 -6.676 2.827 1.00 0.00 H new ATOM 0 HA VAL A 72 1.555 -8.078 0.905 1.00 0.00 H new ATOM 0 HB VAL A 72 3.379 -6.509 0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.686 -7.386 0.214 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.070 -7.097 1.858 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.151 -8.755 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.144 -8.002 -1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.523 -9.405 -0.715 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.398 -8.163 -1.315 1.00 0.00 H new ATOM 911 N VAL A 73 2.140 -10.395 1.449 1.00 0.00 N ATOM 912 CA VAL A 73 2.319 -11.764 1.902 1.00 0.00 C ATOM 913 C VAL A 73 2.537 -12.673 0.691 1.00 0.00 C ATOM 914 O VAL A 73 1.583 -13.041 0.007 1.00 0.00 O ATOM 915 CB VAL A 73 1.128 -12.191 2.763 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.263 -13.650 3.201 1.00 0.00 C ATOM 917 CG2 VAL A 73 0.967 -11.268 3.972 1.00 0.00 C ATOM 0 H VAL A 73 1.482 -10.284 0.678 1.00 0.00 H new ATOM 0 HA VAL A 73 3.204 -11.844 2.533 1.00 0.00 H new ATOM 0 HB VAL A 73 0.228 -12.106 2.155 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.404 -13.928 3.811 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.305 -14.292 2.321 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.176 -13.772 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.114 -11.593 4.567 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.870 -11.306 4.581 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.802 -10.246 3.630 1.00 0.00 H new ATOM 927 N SER A 74 3.798 -13.009 0.463 1.00 0.00 N ATOM 928 CA SER A 74 4.154 -13.868 -0.654 1.00 0.00 C ATOM 929 C SER A 74 5.419 -14.661 -0.322 1.00 0.00 C ATOM 930 O SER A 74 6.093 -14.376 0.667 1.00 0.00 O ATOM 931 CB SER A 74 4.358 -13.053 -1.932 1.00 0.00 C ATOM 932 OG SER A 74 3.589 -13.562 -3.019 1.00 0.00 O ATOM 0 H SER A 74 4.586 -12.702 1.033 1.00 0.00 H new ATOM 0 HA SER A 74 3.332 -14.563 -0.826 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.082 -12.015 -1.748 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.414 -13.059 -2.201 1.00 0.00 H new ATOM 0 HG SER A 74 3.350 -12.828 -3.622 1.00 0.00 H new ATOM 938 N SER A 75 5.704 -15.641 -1.167 1.00 0.00 N ATOM 939 CA SER A 75 6.877 -16.477 -0.976 1.00 0.00 C ATOM 940 C SER A 75 8.117 -15.774 -1.532 1.00 0.00 C ATOM 941 O SER A 75 9.231 -16.281 -1.407 1.00 0.00 O ATOM 942 CB SER A 75 6.695 -17.841 -1.644 1.00 0.00 C ATOM 943 OG SER A 75 6.309 -17.720 -3.010 1.00 0.00 O ATOM 0 H SER A 75 5.143 -15.875 -1.986 1.00 0.00 H new ATOM 0 HA SER A 75 7.010 -16.641 0.093 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.626 -18.403 -1.579 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.940 -18.411 -1.103 1.00 0.00 H new ATOM 0 HG SER A 75 6.205 -18.613 -3.401 1.00 0.00 H new ATOM 949 N ARG A 76 7.882 -14.618 -2.135 1.00 0.00 N ATOM 950 CA ARG A 76 8.966 -13.841 -2.712 1.00 0.00 C ATOM 951 C ARG A 76 9.960 -13.429 -1.624 1.00 0.00 C ATOM 952 O ARG A 76 11.159 -13.329 -1.879 1.00 0.00 O ATOM 953 CB ARG A 76 8.435 -12.587 -3.409 1.00 0.00 C ATOM 954 CG ARG A 76 9.020 -12.453 -4.816 1.00 0.00 C ATOM 955 CD ARG A 76 8.436 -13.511 -5.756 1.00 0.00 C ATOM 956 NE ARG A 76 9.336 -14.684 -5.818 1.00 0.00 N ATOM 957 CZ ARG A 76 9.136 -15.743 -6.615 1.00 0.00 C ATOM 958 NH1 ARG A 76 8.067 -15.782 -7.421 1.00 0.00 N ATOM 959 NH2 ARG A 76 10.006 -16.762 -6.605 1.00 0.00 N ATOM 0 H ARG A 76 6.957 -14.201 -2.237 1.00 0.00 H new ATOM 0 HA ARG A 76 9.467 -14.468 -3.450 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.347 -12.631 -3.466 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.688 -11.705 -2.821 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.810 -11.458 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.104 -12.557 -4.774 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.450 -13.817 -5.405 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.304 -13.091 -6.753 1.00 0.00 H new ATOM 0 HE ARG A 76 10.160 -14.687 -5.217 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.405 -15.006 -7.428 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.915 -16.588 -8.028 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.820 -16.732 -5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.854 -17.568 -7.211 1.00 0.00 H new ATOM 973 N PHE A 77 9.425 -13.201 -0.433 1.00 0.00 N ATOM 974 CA PHE A 77 10.250 -12.802 0.694 1.00 0.00 C ATOM 975 C PHE A 77 10.530 -13.990 1.617 1.00 0.00 C ATOM 976 O PHE A 77 10.404 -13.878 2.835 1.00 0.00 O ATOM 977 CB PHE A 77 9.465 -11.743 1.470 1.00 0.00 C ATOM 978 CG PHE A 77 8.713 -10.750 0.582 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.404 -9.916 -0.241 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.354 -10.702 0.614 1.00 0.00 C ATOM 981 CE1 PHE A 77 8.706 -8.994 -1.066 1.00 0.00 C ATOM 982 CE2 PHE A 77 6.657 -9.780 -0.211 1.00 0.00 C ATOM 983 CZ PHE A 77 7.347 -8.946 -1.033 1.00 0.00 C ATOM 0 H PHE A 77 8.430 -13.285 -0.225 1.00 0.00 H new ATOM 0 HA PHE A 77 11.207 -12.420 0.338 1.00 0.00 H new ATOM 0 HB2 PHE A 77 8.751 -12.242 2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.154 -11.192 2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.483 -9.955 -0.267 1.00 0.00 H new ATOM 0 HD2 PHE A 77 6.805 -11.365 1.267 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.254 -8.331 -1.719 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.578 -9.741 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 77 6.816 -8.245 -1.660 1.00 0.00 H new ATOM 993 N GLU A 78 10.904 -15.102 1.000 1.00 0.00 N ATOM 994 CA GLU A 78 11.203 -16.310 1.750 1.00 0.00 C ATOM 995 C GLU A 78 12.696 -16.377 2.075 1.00 0.00 C ATOM 996 O GLU A 78 13.490 -16.858 1.266 1.00 0.00 O ATOM 997 CB GLU A 78 10.750 -17.556 0.987 1.00 0.00 C ATOM 998 CG GLU A 78 9.447 -18.110 1.565 1.00 0.00 C ATOM 999 CD GLU A 78 9.685 -19.450 2.265 1.00 0.00 C ATOM 1000 OE1 GLU A 78 9.934 -20.435 1.537 1.00 0.00 O ATOM 1001 OE2 GLU A 78 9.612 -19.459 3.513 1.00 0.00 O ATOM 0 H GLU A 78 11.007 -15.191 -0.011 1.00 0.00 H new ATOM 0 HA GLU A 78 10.649 -16.278 2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.610 -17.311 -0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.527 -18.319 1.036 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.026 -17.396 2.272 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.716 -18.237 0.767 1.00 0.00 H new ATOM 1008 N GLY A 79 13.035 -15.889 3.259 1.00 0.00 N ATOM 1009 CA GLY A 79 14.420 -15.888 3.700 1.00 0.00 C ATOM 1010 C GLY A 79 15.266 -14.941 2.847 1.00 0.00 C ATOM 1011 O GLY A 79 16.424 -15.233 2.552 1.00 0.00 O ATOM 0 H GLY A 79 12.375 -15.491 3.927 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.472 -15.586 4.746 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.825 -16.898 3.639 1.00 0.00 H new ATOM 1015 N MET A 80 14.655 -13.826 2.475 1.00 0.00 N ATOM 1016 CA MET A 80 15.338 -12.834 1.662 1.00 0.00 C ATOM 1017 C MET A 80 15.838 -11.670 2.521 1.00 0.00 C ATOM 1018 O MET A 80 15.362 -11.469 3.637 1.00 0.00 O ATOM 1019 CB MET A 80 14.382 -12.305 0.591 1.00 0.00 C ATOM 1020 CG MET A 80 14.320 -13.255 -0.606 1.00 0.00 C ATOM 1021 SD MET A 80 14.503 -12.336 -2.125 1.00 0.00 S ATOM 1022 CE MET A 80 13.049 -11.304 -2.040 1.00 0.00 C ATOM 0 H MET A 80 13.694 -13.587 2.722 1.00 0.00 H new ATOM 0 HA MET A 80 16.199 -13.309 1.191 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.385 -12.184 1.016 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.710 -11.319 0.261 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.108 -14.004 -0.527 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.370 -13.790 -0.607 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.396 -11.525 -2.885 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.517 -11.501 -1.109 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.345 -10.255 -2.074 1.00 0.00 H new ATOM 1032 N SER A 81 16.790 -10.934 1.968 1.00 0.00 N ATOM 1033 CA SER A 81 17.359 -9.796 2.669 1.00 0.00 C ATOM 1034 C SER A 81 16.254 -8.807 3.044 1.00 0.00 C ATOM 1035 O SER A 81 15.189 -8.798 2.429 1.00 0.00 O ATOM 1036 CB SER A 81 18.427 -9.103 1.820 1.00 0.00 C ATOM 1037 OG SER A 81 19.741 -9.540 2.154 1.00 0.00 O ATOM 0 H SER A 81 17.182 -11.104 1.042 1.00 0.00 H new ATOM 0 HA SER A 81 17.837 -10.159 3.579 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.236 -9.301 0.765 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.357 -8.024 1.960 1.00 0.00 H new ATOM 0 HG SER A 81 20.394 -9.076 1.589 1.00 0.00 H new ATOM 1043 N PRO A 82 16.553 -7.975 4.077 1.00 0.00 N ATOM 1044 CA PRO A 82 15.597 -6.984 4.541 1.00 0.00 C ATOM 1045 C PRO A 82 15.516 -5.804 3.571 1.00 0.00 C ATOM 1046 O PRO A 82 14.479 -5.151 3.467 1.00 0.00 O ATOM 1047 CB PRO A 82 16.086 -6.583 5.924 1.00 0.00 C ATOM 1048 CG PRO A 82 17.542 -7.014 5.992 1.00 0.00 C ATOM 1049 CD PRO A 82 17.805 -7.957 4.829 1.00 0.00 C ATOM 0 HA PRO A 82 14.579 -7.372 4.589 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.989 -5.508 6.076 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.498 -7.069 6.702 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.200 -6.147 5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.749 -7.510 6.940 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.632 -7.605 4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.071 -8.954 5.180 1.00 0.00 H new ATOM 1057 N LEU A 83 16.624 -5.567 2.884 1.00 0.00 N ATOM 1058 CA LEU A 83 16.692 -4.477 1.925 1.00 0.00 C ATOM 1059 C LEU A 83 16.133 -4.950 0.582 1.00 0.00 C ATOM 1060 O LEU A 83 15.514 -4.175 -0.145 1.00 0.00 O ATOM 1061 CB LEU A 83 18.117 -3.926 1.840 1.00 0.00 C ATOM 1062 CG LEU A 83 18.494 -2.877 2.887 1.00 0.00 C ATOM 1063 CD1 LEU A 83 19.973 -2.986 3.263 1.00 0.00 C ATOM 1064 CD2 LEU A 83 18.125 -1.470 2.413 1.00 0.00 C ATOM 0 H LEU A 83 17.482 -6.111 2.972 1.00 0.00 H new ATOM 0 HA LEU A 83 16.072 -3.642 2.252 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.813 -4.760 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.258 -3.490 0.851 1.00 0.00 H new ATOM 0 HG LEU A 83 17.916 -3.073 3.790 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.216 -2.229 4.009 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.172 -3.976 3.673 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.586 -2.830 2.376 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.404 -0.744 3.177 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.657 -1.246 1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 83 17.051 -1.416 2.236 1.00 0.00 H new ATOM 1076 N GLN A 84 16.373 -6.221 0.292 1.00 0.00 N ATOM 1077 CA GLN A 84 15.902 -6.807 -0.951 1.00 0.00 C ATOM 1078 C GLN A 84 14.373 -6.873 -0.961 1.00 0.00 C ATOM 1079 O GLN A 84 13.744 -6.622 -1.987 1.00 0.00 O ATOM 1080 CB GLN A 84 16.513 -8.192 -1.170 1.00 0.00 C ATOM 1081 CG GLN A 84 17.996 -8.087 -1.529 1.00 0.00 C ATOM 1082 CD GLN A 84 18.531 -9.423 -2.049 1.00 0.00 C ATOM 1083 OE1 GLN A 84 19.091 -10.224 -1.319 1.00 0.00 O ATOM 1084 NE2 GLN A 84 18.327 -9.618 -3.349 1.00 0.00 N ATOM 0 H GLN A 84 16.888 -6.861 0.897 1.00 0.00 H new ATOM 0 HA GLN A 84 16.224 -6.170 -1.775 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.395 -8.792 -0.268 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.978 -8.707 -1.968 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.137 -7.316 -2.286 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.565 -7.780 -0.652 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.851 -8.906 -3.903 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.646 -10.480 -3.792 1.00 0.00 H new ATOM 1093 N ARG A 85 13.820 -7.213 0.194 1.00 0.00 N ATOM 1094 CA ARG A 85 12.378 -7.316 0.332 1.00 0.00 C ATOM 1095 C ARG A 85 11.704 -6.037 -0.169 1.00 0.00 C ATOM 1096 O ARG A 85 11.027 -6.048 -1.196 1.00 0.00 O ATOM 1097 CB ARG A 85 11.979 -7.557 1.789 1.00 0.00 C ATOM 1098 CG ARG A 85 12.092 -9.040 2.150 1.00 0.00 C ATOM 1099 CD ARG A 85 12.056 -9.239 3.667 1.00 0.00 C ATOM 1100 NE ARG A 85 12.465 -10.620 4.005 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.199 -11.217 5.176 1.00 0.00 C ATOM 1102 NH1 ARG A 85 11.524 -10.556 6.126 1.00 0.00 N ATOM 1103 NH2 ARG A 85 12.609 -12.473 5.396 1.00 0.00 N ATOM 0 H ARG A 85 14.345 -7.421 1.043 1.00 0.00 H new ATOM 0 HA ARG A 85 12.048 -8.164 -0.268 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.619 -6.969 2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.956 -7.216 1.951 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.275 -9.594 1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.020 -9.446 1.748 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.721 -8.525 4.152 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.052 -9.046 4.044 1.00 0.00 H new ATOM 0 HE ARG A 85 12.981 -11.151 3.304 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.213 -9.599 5.958 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.321 -11.010 7.017 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.124 -12.976 4.673 1.00 0.00 H new ATOM 0 HH22 ARG A 85 12.407 -12.927 6.287 1.00 0.00 H new ATOM 1117 N HIS A 86 11.914 -4.964 0.580 1.00 0.00 N ATOM 1118 CA HIS A 86 11.335 -3.679 0.225 1.00 0.00 C ATOM 1119 C HIS A 86 11.741 -3.311 -1.204 1.00 0.00 C ATOM 1120 O HIS A 86 10.922 -2.816 -1.978 1.00 0.00 O ATOM 1121 CB HIS A 86 11.724 -2.607 1.246 1.00 0.00 C ATOM 1122 CG HIS A 86 11.122 -2.817 2.615 1.00 0.00 C ATOM 1123 ND1 HIS A 86 10.834 -1.772 3.475 1.00 0.00 N ATOM 1124 CD2 HIS A 86 10.757 -3.961 3.262 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.320 -2.276 4.588 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.274 -3.633 4.454 1.00 0.00 N ATOM 0 H HIS A 86 12.477 -4.958 1.431 1.00 0.00 H new ATOM 0 HA HIS A 86 10.247 -3.746 0.252 1.00 0.00 H new ATOM 0 HB2 HIS A 86 12.810 -2.584 1.337 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.415 -1.632 0.870 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.846 -4.964 2.871 1.00 0.00 H new ATOM 0 HE1 HIS A 86 9.995 -1.712 5.449 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.926 -4.288 5.154 1.00 0.00 H new ATOM 1134 N ARG A 87 13.004 -3.566 -1.511 1.00 0.00 N ATOM 1135 CA ARG A 87 13.528 -3.268 -2.833 1.00 0.00 C ATOM 1136 C ARG A 87 12.626 -3.874 -3.910 1.00 0.00 C ATOM 1137 O ARG A 87 12.153 -3.166 -4.799 1.00 0.00 O ATOM 1138 CB ARG A 87 14.947 -3.815 -2.999 1.00 0.00 C ATOM 1139 CG ARG A 87 15.507 -3.476 -4.383 1.00 0.00 C ATOM 1140 CD ARG A 87 16.738 -4.327 -4.699 1.00 0.00 C ATOM 1141 NE ARG A 87 17.948 -3.475 -4.732 1.00 0.00 N ATOM 1142 CZ ARG A 87 19.196 -3.947 -4.848 1.00 0.00 C ATOM 1143 NH1 ARG A 87 19.407 -5.267 -4.945 1.00 0.00 N ATOM 1144 NH2 ARG A 87 20.234 -3.100 -4.869 1.00 0.00 N ATOM 0 H ARG A 87 13.680 -3.976 -0.867 1.00 0.00 H new ATOM 0 HA ARG A 87 13.554 -2.184 -2.943 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.594 -3.397 -2.228 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.943 -4.896 -2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.741 -3.643 -5.140 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.771 -2.419 -4.424 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.853 -5.108 -3.947 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.608 -4.826 -5.659 1.00 0.00 H new ATOM 0 HE ARG A 87 17.824 -2.465 -4.662 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.617 -5.912 -4.931 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.357 -5.626 -5.033 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.074 -2.095 -4.797 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.184 -3.460 -4.957 1.00 0.00 H new ATOM 1158 N LEU A 88 12.416 -5.177 -3.797 1.00 0.00 N ATOM 1159 CA LEU A 88 11.579 -5.886 -4.750 1.00 0.00 C ATOM 1160 C LEU A 88 10.316 -5.066 -5.023 1.00 0.00 C ATOM 1161 O LEU A 88 9.874 -4.961 -6.166 1.00 0.00 O ATOM 1162 CB LEU A 88 11.295 -7.307 -4.261 1.00 0.00 C ATOM 1163 CG LEU A 88 11.746 -8.438 -5.188 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.612 -9.451 -4.436 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.546 -9.102 -5.867 1.00 0.00 C ATOM 0 H LEU A 88 12.811 -5.761 -3.060 1.00 0.00 H new ATOM 0 HA LEU A 88 12.098 -5.999 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.780 -7.441 -3.294 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.222 -7.405 -4.096 1.00 0.00 H new ATOM 0 HG LEU A 88 12.364 -8.008 -5.976 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.919 -10.244 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.496 -8.951 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 88 12.039 -9.880 -3.614 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.894 -9.902 -6.520 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.882 -9.516 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.006 -8.361 -6.457 1.00 0.00 H new ATOM 1177 N VAL A 89 9.771 -4.505 -3.953 1.00 0.00 N ATOM 1178 CA VAL A 89 8.568 -3.697 -4.062 1.00 0.00 C ATOM 1179 C VAL A 89 8.923 -2.343 -4.679 1.00 0.00 C ATOM 1180 O VAL A 89 8.385 -1.971 -5.721 1.00 0.00 O ATOM 1181 CB VAL A 89 7.895 -3.574 -2.694 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.788 -2.518 -2.721 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.351 -4.925 -2.226 1.00 0.00 C ATOM 0 H VAL A 89 10.141 -4.594 -3.006 1.00 0.00 H new ATOM 0 HA VAL A 89 7.845 -4.175 -4.723 1.00 0.00 H new ATOM 0 HB VAL A 89 8.650 -3.251 -1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.326 -2.450 -1.736 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.214 -1.551 -2.989 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.035 -2.799 -3.457 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.878 -4.809 -1.251 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.617 -5.290 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.170 -5.640 -2.149 1.00 0.00 H new ATOM 1193 N HIS A 90 9.826 -1.642 -4.009 1.00 0.00 N ATOM 1194 CA HIS A 90 10.259 -0.337 -4.478 1.00 0.00 C ATOM 1195 C HIS A 90 10.571 -0.406 -5.974 1.00 0.00 C ATOM 1196 O HIS A 90 10.322 0.548 -6.709 1.00 0.00 O ATOM 1197 CB HIS A 90 11.439 0.174 -3.650 1.00 0.00 C ATOM 1198 CG HIS A 90 11.087 0.511 -2.221 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.098 0.035 -1.411 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 11.791 1.439 -1.473 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.193 0.638 -0.232 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 11.242 1.509 -0.269 1.00 0.00 N flip ATOM 0 H HIS A 90 10.270 -1.953 -3.145 1.00 0.00 H new ATOM 0 HA HIS A 90 9.455 0.386 -4.343 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.225 -0.582 -3.651 1.00 0.00 H new ATOM 0 HB3 HIS A 90 11.850 1.062 -4.131 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.643 2.009 -1.813 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.547 0.467 0.616 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.550 2.109 0.496 1.00 0.00 H new ATOM 1210 N GLU A 91 11.111 -1.546 -6.381 1.00 0.00 N ATOM 1211 CA GLU A 91 11.459 -1.752 -7.777 1.00 0.00 C ATOM 1212 C GLU A 91 10.208 -1.672 -8.654 1.00 0.00 C ATOM 1213 O GLU A 91 10.219 -1.023 -9.698 1.00 0.00 O ATOM 1214 CB GLU A 91 12.179 -3.088 -7.970 1.00 0.00 C ATOM 1215 CG GLU A 91 13.661 -2.872 -8.283 1.00 0.00 C ATOM 1216 CD GLU A 91 14.144 -3.854 -9.353 1.00 0.00 C ATOM 1217 OE1 GLU A 91 14.012 -3.503 -10.546 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.634 -4.932 -8.954 1.00 0.00 O ATOM 0 H GLU A 91 11.316 -2.336 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 91 12.143 -0.960 -8.082 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.078 -3.693 -7.069 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.710 -3.644 -8.781 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.819 -1.849 -8.625 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.250 -2.999 -7.375 1.00 0.00 H new ATOM 1225 N ALA A 92 9.160 -2.341 -8.196 1.00 0.00 N ATOM 1226 CA ALA A 92 7.903 -2.354 -8.926 1.00 0.00 C ATOM 1227 C ALA A 92 7.224 -0.990 -8.786 1.00 0.00 C ATOM 1228 O ALA A 92 6.614 -0.496 -9.734 1.00 0.00 O ATOM 1229 CB ALA A 92 7.026 -3.497 -8.413 1.00 0.00 C ATOM 0 H ALA A 92 9.155 -2.878 -7.329 1.00 0.00 H new ATOM 0 HA ALA A 92 8.077 -2.529 -9.988 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.084 -3.506 -8.961 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.541 -4.446 -8.561 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.827 -3.354 -7.351 1.00 0.00 H new ATOM 1235 N LEU A 93 7.352 -0.420 -7.597 1.00 0.00 N ATOM 1236 CA LEU A 93 6.758 0.877 -7.322 1.00 0.00 C ATOM 1237 C LEU A 93 7.863 1.875 -6.969 1.00 0.00 C ATOM 1238 O LEU A 93 7.879 2.426 -5.869 1.00 0.00 O ATOM 1239 CB LEU A 93 5.676 0.753 -6.247 1.00 0.00 C ATOM 1240 CG LEU A 93 4.359 0.114 -6.692 1.00 0.00 C ATOM 1241 CD1 LEU A 93 3.658 0.978 -7.743 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.582 -1.317 -7.183 1.00 0.00 C ATOM 0 H LEU A 93 7.858 -0.832 -6.813 1.00 0.00 H new ATOM 0 HA LEU A 93 6.253 1.260 -8.209 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.079 0.169 -5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.461 1.749 -5.859 1.00 0.00 H new ATOM 0 HG LEU A 93 3.697 0.058 -5.828 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.725 0.501 -8.042 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.445 1.961 -7.323 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.305 1.088 -8.614 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.630 -1.748 -7.493 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.269 -1.308 -8.029 1.00 0.00 H new ATOM 0 HD23 LEU A 93 5.006 -1.916 -6.377 1.00 0.00 H new ATOM 1254 N SER A 94 8.760 2.078 -7.923 1.00 0.00 N ATOM 1255 CA SER A 94 9.865 3.000 -7.727 1.00 0.00 C ATOM 1256 C SER A 94 9.354 4.442 -7.746 1.00 0.00 C ATOM 1257 O SER A 94 9.636 5.216 -6.833 1.00 0.00 O ATOM 1258 CB SER A 94 10.942 2.804 -8.797 1.00 0.00 C ATOM 1259 OG SER A 94 12.195 3.355 -8.401 1.00 0.00 O ATOM 0 H SER A 94 8.744 1.619 -8.834 1.00 0.00 H new ATOM 0 HA SER A 94 10.314 2.794 -6.755 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.062 1.740 -9.000 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.618 3.271 -9.727 1.00 0.00 H new ATOM 0 HG SER A 94 12.856 3.208 -9.110 1.00 0.00 H new ATOM 1265 N GLU A 95 8.612 4.759 -8.797 1.00 0.00 N ATOM 1266 CA GLU A 95 8.059 6.094 -8.946 1.00 0.00 C ATOM 1267 C GLU A 95 7.232 6.467 -7.714 1.00 0.00 C ATOM 1268 O GLU A 95 7.075 7.646 -7.401 1.00 0.00 O ATOM 1269 CB GLU A 95 7.221 6.201 -10.222 1.00 0.00 C ATOM 1270 CG GLU A 95 8.106 6.120 -11.468 1.00 0.00 C ATOM 1271 CD GLU A 95 7.577 7.031 -12.577 1.00 0.00 C ATOM 1272 OE1 GLU A 95 7.375 8.228 -12.280 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.385 6.509 -13.697 1.00 0.00 O ATOM 0 H GLU A 95 8.381 4.114 -9.553 1.00 0.00 H new ATOM 0 HA GLU A 95 8.885 6.800 -9.032 1.00 0.00 H new ATOM 0 HB2 GLU A 95 6.482 5.400 -10.244 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.671 7.142 -10.223 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.126 6.407 -11.213 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.144 5.091 -11.825 1.00 0.00 H new ATOM 1280 N GLU A 96 6.724 5.440 -7.049 1.00 0.00 N ATOM 1281 CA GLU A 96 5.917 5.646 -5.858 1.00 0.00 C ATOM 1282 C GLU A 96 6.790 6.139 -4.703 1.00 0.00 C ATOM 1283 O GLU A 96 6.498 7.168 -4.095 1.00 0.00 O ATOM 1284 CB GLU A 96 5.171 4.366 -5.474 1.00 0.00 C ATOM 1285 CG GLU A 96 4.292 3.876 -6.626 1.00 0.00 C ATOM 1286 CD GLU A 96 3.227 4.915 -6.983 1.00 0.00 C ATOM 1287 OE1 GLU A 96 3.591 5.881 -7.688 1.00 0.00 O ATOM 1288 OE2 GLU A 96 2.074 4.720 -6.543 1.00 0.00 O ATOM 0 H GLU A 96 6.855 4.463 -7.312 1.00 0.00 H new ATOM 0 HA GLU A 96 5.172 6.411 -6.076 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.888 3.591 -5.204 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.554 4.550 -4.594 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.912 3.670 -7.499 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.811 2.938 -6.348 1.00 0.00 H new ATOM 1295 N LEU A 97 7.845 5.383 -4.436 1.00 0.00 N ATOM 1296 CA LEU A 97 8.763 5.731 -3.365 1.00 0.00 C ATOM 1297 C LEU A 97 9.618 6.923 -3.799 1.00 0.00 C ATOM 1298 O LEU A 97 10.258 7.568 -2.969 1.00 0.00 O ATOM 1299 CB LEU A 97 9.581 4.509 -2.942 1.00 0.00 C ATOM 1300 CG LEU A 97 9.001 3.678 -1.796 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.532 4.576 -0.650 1.00 0.00 C ATOM 1302 CD2 LEU A 97 7.886 2.757 -2.296 1.00 0.00 C ATOM 0 H LEU A 97 8.084 4.531 -4.943 1.00 0.00 H new ATOM 0 HA LEU A 97 8.212 6.040 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.703 3.860 -3.809 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.577 4.845 -2.653 1.00 0.00 H new ATOM 0 HG LEU A 97 9.793 3.041 -1.402 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.124 3.960 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.376 5.153 -0.271 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.761 5.256 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.491 2.178 -1.461 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.087 3.357 -2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.285 2.080 -3.051 1.00 0.00 H new ATOM 1314 N ALA A 98 9.602 7.181 -5.099 1.00 0.00 N ATOM 1315 CA ALA A 98 10.368 8.284 -5.653 1.00 0.00 C ATOM 1316 C ALA A 98 9.416 9.263 -6.343 1.00 0.00 C ATOM 1317 O ALA A 98 9.388 9.346 -7.570 1.00 0.00 O ATOM 1318 CB ALA A 98 11.434 7.738 -6.605 1.00 0.00 C ATOM 0 H ALA A 98 9.070 6.645 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 98 10.885 8.828 -4.863 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.009 8.566 -7.021 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.101 7.071 -6.060 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.952 7.188 -7.414 1.00 0.00 H new ATOM 1324 N GLY A 99 8.661 9.981 -5.525 1.00 0.00 N ATOM 1325 CA GLY A 99 7.711 10.952 -6.041 1.00 0.00 C ATOM 1326 C GLY A 99 6.680 11.331 -4.976 1.00 0.00 C ATOM 1327 O GLY A 99 6.912 12.237 -4.178 1.00 0.00 O ATOM 0 H GLY A 99 8.688 9.910 -4.508 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.242 11.845 -6.372 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.203 10.541 -6.914 1.00 0.00 H new ATOM 1331 N PRO A 100 5.535 10.599 -4.999 1.00 0.00 N ATOM 1332 CA PRO A 100 4.467 10.849 -4.045 1.00 0.00 C ATOM 1333 C PRO A 100 4.829 10.303 -2.662 1.00 0.00 C ATOM 1334 O PRO A 100 4.862 11.050 -1.686 1.00 0.00 O ATOM 1335 CB PRO A 100 3.240 10.182 -4.644 1.00 0.00 C ATOM 1336 CG PRO A 100 3.763 9.192 -5.673 1.00 0.00 C ATOM 1337 CD PRO A 100 5.226 9.518 -5.930 1.00 0.00 C ATOM 0 HA PRO A 100 4.287 11.912 -3.884 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.657 9.675 -3.875 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.583 10.918 -5.109 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.658 8.170 -5.308 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.188 9.261 -6.597 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.862 8.650 -5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.387 9.827 -6.963 1.00 0.00 H new ATOM 1345 N VAL A 101 5.092 9.005 -2.624 1.00 0.00 N ATOM 1346 CA VAL A 101 5.450 8.351 -1.377 1.00 0.00 C ATOM 1347 C VAL A 101 6.922 8.627 -1.065 1.00 0.00 C ATOM 1348 O VAL A 101 7.789 8.423 -1.914 1.00 0.00 O ATOM 1349 CB VAL A 101 5.126 6.858 -1.457 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.227 6.200 -0.080 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.745 6.629 -2.075 1.00 0.00 C ATOM 0 H VAL A 101 5.064 8.389 -3.436 1.00 0.00 H new ATOM 0 HA VAL A 101 4.862 8.754 -0.552 1.00 0.00 H new ATOM 0 HB VAL A 101 5.865 6.389 -2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.992 5.139 -0.166 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.240 6.317 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.522 6.674 0.602 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.539 5.560 -2.120 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.987 7.119 -1.464 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.723 7.046 -3.082 1.00 0.00 H new ATOM 1361 N HIS A 102 7.159 9.088 0.154 1.00 0.00 N ATOM 1362 CA HIS A 102 8.512 9.394 0.588 1.00 0.00 C ATOM 1363 C HIS A 102 8.994 8.318 1.563 1.00 0.00 C ATOM 1364 O HIS A 102 10.136 7.869 1.482 1.00 0.00 O ATOM 1365 CB HIS A 102 8.587 10.804 1.177 1.00 0.00 C ATOM 1366 CG HIS A 102 8.155 11.892 0.223 1.00 0.00 C ATOM 1367 ND1 HIS A 102 8.151 13.233 0.567 1.00 0.00 N ATOM 1368 CD2 HIS A 102 7.716 11.824 -1.066 1.00 0.00 C ATOM 1369 CE1 HIS A 102 7.725 13.931 -0.476 1.00 0.00 C ATOM 1370 NE2 HIS A 102 7.455 13.056 -1.487 1.00 0.00 N ATOM 0 H HIS A 102 6.437 9.257 0.855 1.00 0.00 H new ATOM 0 HA HIS A 102 9.184 9.385 -0.270 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.962 10.848 2.069 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.611 11.000 1.495 1.00 0.00 H new ATOM 0 HD2 HIS A 102 7.600 10.921 -1.647 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.612 15.004 -0.518 1.00 0.00 H new ATOM 0 HE2 HIS A 102 7.110 13.307 -2.413 1.00 0.00 H new ATOM 1378 N ALA A 103 8.100 7.936 2.463 1.00 0.00 N ATOM 1379 CA ALA A 103 8.420 6.921 3.452 1.00 0.00 C ATOM 1380 C ALA A 103 7.207 6.011 3.654 1.00 0.00 C ATOM 1381 O ALA A 103 6.257 6.380 4.342 1.00 0.00 O ATOM 1382 CB ALA A 103 8.864 7.596 4.751 1.00 0.00 C ATOM 0 H ALA A 103 7.154 8.311 2.528 1.00 0.00 H new ATOM 0 HA ALA A 103 9.246 6.298 3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.104 6.835 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.746 8.208 4.560 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.059 8.227 5.127 1.00 0.00 H new ATOM 1388 N LEU A 104 7.278 4.838 3.040 1.00 0.00 N ATOM 1389 CA LEU A 104 6.198 3.873 3.144 1.00 0.00 C ATOM 1390 C LEU A 104 6.703 2.624 3.870 1.00 0.00 C ATOM 1391 O LEU A 104 7.622 1.956 3.398 1.00 0.00 O ATOM 1392 CB LEU A 104 5.604 3.583 1.764 1.00 0.00 C ATOM 1393 CG LEU A 104 5.061 2.169 1.550 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.127 1.762 2.691 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.386 2.041 0.183 1.00 0.00 C ATOM 0 H LEU A 104 8.067 4.535 2.469 1.00 0.00 H new ATOM 0 HA LEU A 104 5.380 4.280 3.739 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.796 4.292 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.371 3.774 1.013 1.00 0.00 H new ATOM 0 HG LEU A 104 5.902 1.476 1.559 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.755 0.753 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.672 1.788 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.287 2.455 2.739 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.009 1.026 0.057 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.557 2.746 0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.110 2.259 -0.602 1.00 0.00 H new ATOM 1407 N ALA A 105 6.081 2.347 5.006 1.00 0.00 N ATOM 1408 CA ALA A 105 6.456 1.190 5.802 1.00 0.00 C ATOM 1409 C ALA A 105 5.855 -0.070 5.177 1.00 0.00 C ATOM 1410 O ALA A 105 4.679 -0.369 5.382 1.00 0.00 O ATOM 1411 CB ALA A 105 6.002 1.397 7.248 1.00 0.00 C ATOM 0 H ALA A 105 5.320 2.904 5.395 1.00 0.00 H new ATOM 0 HA ALA A 105 7.539 1.067 5.814 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.283 0.530 7.845 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.480 2.288 7.655 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.919 1.521 7.275 1.00 0.00 H new ATOM 1417 N ILE A 106 6.689 -0.776 4.428 1.00 0.00 N ATOM 1418 CA ILE A 106 6.255 -1.997 3.771 1.00 0.00 C ATOM 1419 C ILE A 106 6.548 -3.192 4.681 1.00 0.00 C ATOM 1420 O ILE A 106 7.588 -3.237 5.337 1.00 0.00 O ATOM 1421 CB ILE A 106 6.885 -2.113 2.382 1.00 0.00 C ATOM 1422 CG1 ILE A 106 6.662 -0.835 1.571 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.373 -3.354 1.649 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.224 -0.979 0.155 1.00 0.00 C ATOM 0 H ILE A 106 7.664 -0.526 4.261 1.00 0.00 H new ATOM 0 HA ILE A 106 5.178 -1.978 3.605 1.00 0.00 H new ATOM 0 HB ILE A 106 7.961 -2.233 2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.596 -0.612 1.522 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.141 0.006 2.072 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.837 -3.412 0.664 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.626 -4.246 2.223 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.291 -3.290 1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.052 -0.057 -0.400 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.295 -1.177 0.207 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.726 -1.806 -0.352 1.00 0.00 H new ATOM 1436 N GLN A 107 5.613 -4.131 4.692 1.00 0.00 N ATOM 1437 CA GLN A 107 5.759 -5.323 5.510 1.00 0.00 C ATOM 1438 C GLN A 107 5.831 -6.569 4.625 1.00 0.00 C ATOM 1439 O GLN A 107 4.802 -7.107 4.220 1.00 0.00 O ATOM 1440 CB GLN A 107 4.618 -5.435 6.523 1.00 0.00 C ATOM 1441 CG GLN A 107 4.841 -6.614 7.472 1.00 0.00 C ATOM 1442 CD GLN A 107 3.509 -7.166 7.983 1.00 0.00 C ATOM 1443 OE1 GLN A 107 2.742 -7.777 7.258 1.00 0.00 O ATOM 1444 NE2 GLN A 107 3.278 -6.918 9.269 1.00 0.00 N ATOM 0 H GLN A 107 4.751 -4.090 4.147 1.00 0.00 H new ATOM 0 HA GLN A 107 6.691 -5.245 6.069 1.00 0.00 H new ATOM 0 HB2 GLN A 107 4.544 -4.511 7.096 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.671 -5.561 5.997 1.00 0.00 H new ATOM 0 HG2 GLN A 107 5.391 -7.401 6.957 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.454 -6.296 8.315 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.963 -6.400 9.820 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.416 -7.246 9.705 1.00 0.00 H new ATOM 1453 N ALA A 108 7.056 -6.991 4.352 1.00 0.00 N ATOM 1454 CA ALA A 108 7.276 -8.164 3.522 1.00 0.00 C ATOM 1455 C ALA A 108 7.321 -9.410 4.409 1.00 0.00 C ATOM 1456 O ALA A 108 8.275 -9.607 5.161 1.00 0.00 O ATOM 1457 CB ALA A 108 8.559 -7.981 2.709 1.00 0.00 C ATOM 0 H ALA A 108 7.907 -6.542 4.690 1.00 0.00 H new ATOM 0 HA ALA A 108 6.457 -8.292 2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.724 -8.861 2.087 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.465 -7.100 2.074 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.403 -7.852 3.386 1.00 0.00 H new ATOM 1463 N LYS A 109 6.277 -10.218 4.293 1.00 0.00 N ATOM 1464 CA LYS A 109 6.186 -11.439 5.075 1.00 0.00 C ATOM 1465 C LYS A 109 5.954 -12.624 4.137 1.00 0.00 C ATOM 1466 O LYS A 109 5.704 -12.439 2.947 1.00 0.00 O ATOM 1467 CB LYS A 109 5.119 -11.299 6.164 1.00 0.00 C ATOM 1468 CG LYS A 109 5.229 -9.946 6.869 1.00 0.00 C ATOM 1469 CD LYS A 109 5.448 -10.127 8.372 1.00 0.00 C ATOM 1470 CE LYS A 109 6.013 -8.852 9.002 1.00 0.00 C ATOM 1471 NZ LYS A 109 6.868 -9.182 10.163 1.00 0.00 N ATOM 0 H LYS A 109 5.487 -10.051 3.669 1.00 0.00 H new ATOM 0 HA LYS A 109 7.123 -11.626 5.600 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.128 -11.403 5.723 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.230 -12.103 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.055 -9.376 6.444 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.321 -9.368 6.697 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.504 -10.386 8.852 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.133 -10.957 8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.592 -8.300 8.262 1.00 0.00 H new ATOM 0 HE3 LYS A 109 5.196 -8.203 9.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 7.243 -8.305 10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 6.305 -9.690 10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 7.658 -9.783 9.853 1.00 0.00 H new ATOM 1485 N THR A 110 6.047 -13.817 4.707 1.00 0.00 N ATOM 1486 CA THR A 110 5.851 -15.033 3.936 1.00 0.00 C ATOM 1487 C THR A 110 4.473 -15.631 4.225 1.00 0.00 C ATOM 1488 O THR A 110 3.836 -15.281 5.218 1.00 0.00 O ATOM 1489 CB THR A 110 7.005 -15.985 4.253 1.00 0.00 C ATOM 1490 OG1 THR A 110 6.907 -16.195 5.659 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.374 -15.326 4.070 1.00 0.00 C ATOM 0 H THR A 110 6.256 -13.967 5.694 1.00 0.00 H new ATOM 0 HA THR A 110 5.864 -14.829 2.865 1.00 0.00 H new ATOM 0 HB THR A 110 6.936 -16.864 3.613 1.00 0.00 H new ATOM 0 HG1 THR A 110 7.241 -17.089 5.880 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.158 -16.045 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.484 -14.997 3.037 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.456 -14.466 4.735 1.00 0.00 H new ATOM 1499 N PRO A 111 4.042 -16.548 3.317 1.00 0.00 N ATOM 1500 CA PRO A 111 2.751 -17.199 3.465 1.00 0.00 C ATOM 1501 C PRO A 111 2.795 -18.259 4.567 1.00 0.00 C ATOM 1502 O PRO A 111 1.803 -18.941 4.817 1.00 0.00 O ATOM 1503 CB PRO A 111 2.444 -17.778 2.094 1.00 0.00 C ATOM 1504 CG PRO A 111 3.772 -17.835 1.358 1.00 0.00 C ATOM 1505 CD PRO A 111 4.770 -16.987 2.130 1.00 0.00 C ATOM 0 HA PRO A 111 1.965 -16.511 3.777 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.002 -18.771 2.179 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.727 -17.155 1.559 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.123 -18.864 1.283 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.661 -17.461 0.340 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.655 -17.563 2.399 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.110 -16.138 1.537 1.00 0.00 H new ATOM 1513 N ALA A 112 3.957 -18.366 5.196 1.00 0.00 N ATOM 1514 CA ALA A 112 4.143 -19.332 6.265 1.00 0.00 C ATOM 1515 C ALA A 112 4.216 -18.596 7.605 1.00 0.00 C ATOM 1516 O ALA A 112 3.831 -19.141 8.638 1.00 0.00 O ATOM 1517 CB ALA A 112 5.396 -20.164 5.988 1.00 0.00 C ATOM 0 H ALA A 112 4.779 -17.799 4.985 1.00 0.00 H new ATOM 0 HA ALA A 112 3.299 -20.020 6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.536 -20.889 6.790 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.282 -20.689 5.040 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.265 -19.508 5.937 1.00 0.00 H new ATOM 1523 N GLN A 113 4.713 -17.370 7.544 1.00 0.00 N ATOM 1524 CA GLN A 113 4.841 -16.554 8.739 1.00 0.00 C ATOM 1525 C GLN A 113 3.528 -15.824 9.027 1.00 0.00 C ATOM 1526 O GLN A 113 3.083 -15.768 10.173 1.00 0.00 O ATOM 1527 CB GLN A 113 6.000 -15.564 8.606 1.00 0.00 C ATOM 1528 CG GLN A 113 7.345 -16.294 8.585 1.00 0.00 C ATOM 1529 CD GLN A 113 8.235 -15.838 9.743 1.00 0.00 C ATOM 1530 OE1 GLN A 113 7.775 -15.540 10.833 1.00 0.00 O ATOM 1531 NE2 GLN A 113 9.531 -15.800 9.447 1.00 0.00 N ATOM 0 H GLN A 113 5.032 -16.922 6.685 1.00 0.00 H new ATOM 0 HA GLN A 113 5.062 -17.210 9.581 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.883 -14.983 7.691 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.978 -14.859 9.437 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.180 -17.369 8.650 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.850 -16.106 7.638 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.849 -16.063 8.514 1.00 0.00 H new ATOM 0 HE22 GLN A 113 10.207 -15.508 10.153 1.00 0.00 H new ATOM 1540 N TRP A 114 2.944 -15.283 7.968 1.00 0.00 N ATOM 1541 CA TRP A 114 1.690 -14.559 8.093 1.00 0.00 C ATOM 1542 C TRP A 114 0.768 -15.365 9.011 1.00 0.00 C ATOM 1543 O TRP A 114 0.003 -14.793 9.785 1.00 0.00 O ATOM 1544 CB TRP A 114 1.075 -14.286 6.719 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.271 -13.561 6.772 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.498 -14.092 6.680 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.478 -12.142 6.935 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.476 -13.123 6.771 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.836 -11.900 6.931 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.452 -11.098 7.081 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.387 -10.620 7.070 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.114 -9.825 7.218 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.479 -9.564 7.216 1.00 0.00 C ATOM 0 H TRP A 114 3.316 -15.331 7.019 1.00 0.00 H new ATOM 0 HA TRP A 114 1.854 -13.578 8.539 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.774 -13.690 6.132 1.00 0.00 H new ATOM 0 HB3 TRP A 114 0.945 -15.233 6.196 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.696 -15.146 6.551 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.484 -13.276 6.729 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.519 -11.265 7.087 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.454 -10.456 7.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.557 -8.987 7.333 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -1.838 -8.551 7.327 1.00 0.00 H new ATOM 1564 N ARG A 115 0.872 -16.681 8.893 1.00 0.00 N ATOM 1565 CA ARG A 115 0.057 -17.571 9.702 1.00 0.00 C ATOM 1566 C ARG A 115 0.305 -17.312 11.190 1.00 0.00 C ATOM 1567 O ARG A 115 -0.640 -17.189 11.968 1.00 0.00 O ATOM 1568 CB ARG A 115 0.365 -19.036 9.389 1.00 0.00 C ATOM 1569 CG ARG A 115 -0.053 -19.390 7.960 1.00 0.00 C ATOM 1570 CD ARG A 115 0.139 -20.884 7.687 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.973 -21.655 8.286 1.00 0.00 N ATOM 1572 CZ ARG A 115 -1.242 -22.935 7.996 1.00 0.00 C ATOM 1573 NH1 ARG A 115 -0.481 -23.596 7.113 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -2.272 -23.554 8.589 1.00 0.00 N ATOM 0 H ARG A 115 1.508 -17.152 8.250 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.988 -17.372 9.464 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.431 -19.223 9.517 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.158 -19.681 10.095 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.098 -19.120 7.805 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.535 -18.808 7.250 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.180 -21.063 6.613 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.090 -21.219 8.102 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.572 -21.182 8.962 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.303 -23.125 6.662 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -0.686 -24.571 6.892 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.851 -23.051 9.261 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -2.477 -24.529 8.368 1.00 0.00 H new ATOM 1588 N GLU A 116 1.581 -17.236 11.540 1.00 0.00 N ATOM 1589 CA GLU A 116 1.965 -16.994 12.920 1.00 0.00 C ATOM 1590 C GLU A 116 1.217 -15.779 13.474 1.00 0.00 C ATOM 1591 O GLU A 116 0.497 -15.888 14.465 1.00 0.00 O ATOM 1592 CB GLU A 116 3.478 -16.810 13.044 1.00 0.00 C ATOM 1593 CG GLU A 116 4.160 -18.121 13.441 1.00 0.00 C ATOM 1594 CD GLU A 116 4.126 -18.319 14.958 1.00 0.00 C ATOM 1595 OE1 GLU A 116 4.938 -17.653 15.636 1.00 0.00 O ATOM 1596 OE2 GLU A 116 3.288 -19.131 15.405 1.00 0.00 O ATOM 0 H GLU A 116 2.362 -17.338 10.892 1.00 0.00 H new ATOM 0 HA GLU A 116 1.689 -17.867 13.512 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.884 -16.458 12.096 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.695 -16.043 13.788 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.662 -18.957 12.950 1.00 0.00 H new ATOM 0 HG3 GLU A 116 5.193 -18.117 13.094 1.00 0.00 H new ATOM 1603 N ASN A 117 1.414 -14.650 12.809 1.00 0.00 N ATOM 1604 CA ASN A 117 0.767 -13.416 13.223 1.00 0.00 C ATOM 1605 C ASN A 117 0.332 -12.634 11.982 1.00 0.00 C ATOM 1606 O ASN A 117 1.053 -11.755 11.513 1.00 0.00 O ATOM 1607 CB ASN A 117 1.725 -12.534 14.026 1.00 0.00 C ATOM 1608 CG ASN A 117 0.955 -11.568 14.928 1.00 0.00 C ATOM 1609 OD1 ASN A 117 -0.127 -11.858 15.411 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.572 -10.407 15.127 1.00 0.00 N ATOM 0 H ASN A 117 2.012 -14.564 11.987 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.090 -13.676 13.845 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.379 -13.160 14.632 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.364 -11.971 13.345 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.140 -9.694 15.715 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.477 -10.229 14.692 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.878 -12.990 11.473 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.418 -12.331 10.296 1.00 0.00 C ATOM 1619 C PRO A 118 -1.936 -10.933 10.640 1.00 0.00 C ATOM 1620 O PRO A 118 -2.379 -10.197 9.759 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.509 -13.261 9.790 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.854 -14.172 10.957 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.760 -14.026 12.002 1.00 0.00 C ATOM 0 HA PRO A 118 -0.666 -12.164 9.525 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.383 -12.697 9.463 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.163 -13.838 8.933 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.823 -13.902 11.378 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.928 -15.207 10.624 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.172 -13.739 12.969 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.225 -14.964 12.149 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.864 -10.609 11.922 1.00 0.00 N ATOM 1632 CA GLN A 119 -2.320 -9.312 12.393 1.00 0.00 C ATOM 1633 C GLN A 119 -1.220 -8.264 12.212 1.00 0.00 C ATOM 1634 O GLN A 119 -0.090 -8.462 12.656 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.770 -9.387 13.854 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.271 -8.026 14.343 1.00 0.00 C ATOM 1637 CD GLN A 119 -4.795 -8.018 14.476 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -5.529 -8.039 13.502 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -5.228 -7.986 15.733 1.00 0.00 N ATOM 0 H GLN A 119 -1.497 -11.222 12.650 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.181 -9.013 11.796 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -3.562 -10.129 13.957 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.940 -9.719 14.478 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -2.817 -7.792 15.306 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.959 -7.248 13.646 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.559 -7.970 16.503 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -6.229 -7.978 15.927 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.588 -7.173 11.558 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.647 -6.094 11.312 1.00 0.00 C ATOM 1650 C LEU A 120 -0.575 -5.194 12.547 1.00 0.00 C ATOM 1651 O LEU A 120 -1.286 -5.419 13.526 1.00 0.00 O ATOM 1652 CB LEU A 120 -1.012 -5.347 10.027 1.00 0.00 C ATOM 1653 CG LEU A 120 -1.381 -6.219 8.826 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -2.169 -5.418 7.788 1.00 0.00 C ATOM 1655 CD2 LEU A 120 -0.138 -6.875 8.221 1.00 0.00 C ATOM 0 H LEU A 120 -2.526 -7.013 11.190 1.00 0.00 H new ATOM 0 HA LEU A 120 0.354 -6.492 11.148 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.851 -4.685 10.241 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.170 -4.714 9.746 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.031 -7.022 9.174 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -2.419 -6.062 6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.086 -5.040 8.240 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.565 -4.581 7.439 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -0.429 -7.489 7.369 1.00 0.00 H new ATOM 0 HD22 LEU A 120 0.557 -6.103 7.891 1.00 0.00 H new ATOM 0 HD23 LEU A 120 0.345 -7.501 8.971 1.00 0.00 H new