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 Set 1.1: A 81 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 84 GLN : amide:sc= -0.958 K(o=-0.96,f=-6.1!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -46:sc= 0.076 USER MOD Single : A 67 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 SER OG : rot 180:sc= -1.73! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 153:sc= -0.209 (180deg=-0.833) USER MOD Single : A 86 HIS : no HD1:sc= -0.0907 X(o=-0.091,f=0) USER MOD Single : A 90 HIS : no HD1:sc= -2.15 X(o=-2.2,f=-1.8) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 102 HIS : no HD1:sc= -3.08 K(o=-3.1,f=-2.3) USER MOD Single : A 107 GLN : amide:sc= -3.62! K(o=-3.6!,f=-1.5) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -90:sc= -1.1 USER MOD Single : A 113 GLN : amide:sc= -0.0156 X(o=-0.016,f=-0.036) USER MOD Single : A 117 ASN : amide:sc= -0.0511 K(o=-0.051,f=-1.1!) USER MOD Single : A 119 GLN : amide:sc= -0.0288 K(o=-0.029,f=-1.2!) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.260 6.496 -6.083 1.00 0.00 N ATOM 302 CA VAL A 32 -1.846 6.188 -5.951 1.00 0.00 C ATOM 303 C VAL A 32 -1.679 4.935 -5.089 1.00 0.00 C ATOM 304 O VAL A 32 -1.140 3.929 -5.548 1.00 0.00 O ATOM 305 CB VAL A 32 -1.096 7.401 -5.394 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.364 7.054 -5.099 1.00 0.00 C ATOM 307 CG2 VAL A 32 -1.195 8.592 -6.350 1.00 0.00 C ATOM 0 HA VAL A 32 -1.410 5.972 -6.926 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.569 7.686 -4.454 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.874 7.933 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.406 6.250 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.854 6.732 -6.018 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.654 9.441 -5.931 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.759 8.323 -7.312 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.242 8.862 -6.488 1.00 0.00 H new ATOM 317 N GLU A 33 -2.152 5.037 -3.856 1.00 0.00 N ATOM 318 CA GLU A 33 -2.062 3.924 -2.925 1.00 0.00 C ATOM 319 C GLU A 33 -2.587 2.643 -3.578 1.00 0.00 C ATOM 320 O GLU A 33 -1.887 1.633 -3.620 1.00 0.00 O ATOM 321 CB GLU A 33 -2.817 4.229 -1.630 1.00 0.00 C ATOM 322 CG GLU A 33 -2.757 3.042 -0.668 1.00 0.00 C ATOM 323 CD GLU A 33 -4.059 2.913 0.126 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.258 3.754 1.029 1.00 0.00 O ATOM 325 OE2 GLU A 33 -4.825 1.977 -0.189 1.00 0.00 O ATOM 0 H GLU A 33 -2.599 5.873 -3.479 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.013 3.775 -2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.387 5.110 -1.153 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.857 4.465 -1.858 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.576 2.124 -1.228 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -1.919 3.167 0.018 1.00 0.00 H new ATOM 332 N ALA A 34 -3.814 2.728 -4.069 1.00 0.00 N ATOM 333 CA ALA A 34 -4.441 1.588 -4.717 1.00 0.00 C ATOM 334 C ALA A 34 -3.460 0.972 -5.716 1.00 0.00 C ATOM 335 O ALA A 34 -3.278 -0.244 -5.743 1.00 0.00 O ATOM 336 CB ALA A 34 -5.747 2.032 -5.380 1.00 0.00 C ATOM 0 H ALA A 34 -4.391 3.568 -4.031 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.692 0.820 -3.985 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.217 1.177 -5.866 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.420 2.435 -4.624 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.535 2.800 -6.123 1.00 0.00 H new ATOM 342 N ALA A 35 -2.854 1.839 -6.514 1.00 0.00 N ATOM 343 CA ALA A 35 -1.896 1.395 -7.512 1.00 0.00 C ATOM 344 C ALA A 35 -0.758 0.642 -6.821 1.00 0.00 C ATOM 345 O ALA A 35 -0.436 -0.485 -7.197 1.00 0.00 O ATOM 346 CB ALA A 35 -1.396 2.600 -8.311 1.00 0.00 C ATOM 0 H ALA A 35 -3.008 2.847 -6.490 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.366 0.708 -8.216 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.677 2.267 -9.060 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.238 3.083 -8.806 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.916 3.309 -7.637 1.00 0.00 H new ATOM 352 N ILE A 36 -0.180 1.293 -5.822 1.00 0.00 N ATOM 353 CA ILE A 36 0.915 0.698 -5.076 1.00 0.00 C ATOM 354 C ILE A 36 0.606 -0.777 -4.812 1.00 0.00 C ATOM 355 O ILE A 36 1.492 -1.626 -4.899 1.00 0.00 O ATOM 356 CB ILE A 36 1.197 1.503 -3.805 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.622 2.933 -4.146 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.227 0.794 -2.923 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.972 3.717 -2.879 1.00 0.00 C ATOM 0 H ILE A 36 -0.450 2.227 -5.512 1.00 0.00 H new ATOM 0 HA ILE A 36 1.835 0.732 -5.659 1.00 0.00 H new ATOM 0 HB ILE A 36 0.273 1.569 -3.230 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.483 2.911 -4.814 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.817 3.438 -4.680 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.409 1.387 -2.027 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.848 -0.187 -2.638 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.159 0.676 -3.475 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.271 4.730 -3.149 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.102 3.758 -2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.793 3.222 -2.360 1.00 0.00 H new ATOM 371 N ARG A 37 -0.654 -1.037 -4.497 1.00 0.00 N ATOM 372 CA ARG A 37 -1.092 -2.395 -4.220 1.00 0.00 C ATOM 373 C ARG A 37 -1.383 -3.135 -5.527 1.00 0.00 C ATOM 374 O ARG A 37 -0.752 -4.147 -5.826 1.00 0.00 O ATOM 375 CB ARG A 37 -2.348 -2.402 -3.347 1.00 0.00 C ATOM 376 CG ARG A 37 -2.479 -3.722 -2.585 1.00 0.00 C ATOM 377 CD ARG A 37 -3.875 -4.322 -2.763 1.00 0.00 C ATOM 378 NE ARG A 37 -4.601 -4.306 -1.474 1.00 0.00 N ATOM 379 CZ ARG A 37 -5.131 -3.205 -0.923 1.00 0.00 C ATOM 380 NH1 ARG A 37 -5.018 -2.024 -1.546 1.00 0.00 N ATOM 381 NH2 ARG A 37 -5.773 -3.285 0.250 1.00 0.00 N ATOM 0 H ARG A 37 -1.386 -0.330 -4.427 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.289 -2.900 -3.683 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.309 -1.573 -2.641 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.229 -2.249 -3.970 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.728 -4.427 -2.941 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.283 -3.555 -1.526 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.431 -3.755 -3.510 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -3.796 -5.344 -3.133 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.705 -5.188 -0.973 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.529 -1.963 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.421 -1.186 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.859 -4.184 0.724 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.176 -2.447 0.669 1.00 0.00 H new ATOM 395 N ALA A 38 -2.340 -2.600 -6.272 1.00 0.00 N ATOM 396 CA ALA A 38 -2.723 -3.198 -7.540 1.00 0.00 C ATOM 397 C ALA A 38 -1.468 -3.679 -8.272 1.00 0.00 C ATOM 398 O ALA A 38 -1.507 -4.680 -8.985 1.00 0.00 O ATOM 399 CB ALA A 38 -3.523 -2.184 -8.361 1.00 0.00 C ATOM 0 H ALA A 38 -2.861 -1.760 -6.022 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.363 -4.065 -7.378 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.811 -2.632 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.418 -1.895 -7.810 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.911 -1.301 -8.546 1.00 0.00 H new ATOM 405 N LYS A 39 -0.385 -2.944 -8.069 1.00 0.00 N ATOM 406 CA LYS A 39 0.879 -3.284 -8.700 1.00 0.00 C ATOM 407 C LYS A 39 1.428 -4.568 -8.074 1.00 0.00 C ATOM 408 O LYS A 39 1.435 -5.619 -8.712 1.00 0.00 O ATOM 409 CB LYS A 39 1.848 -2.102 -8.628 1.00 0.00 C ATOM 410 CG LYS A 39 1.487 -1.033 -9.662 1.00 0.00 C ATOM 411 CD LYS A 39 2.442 -1.080 -10.856 1.00 0.00 C ATOM 412 CE LYS A 39 1.907 -0.242 -12.019 1.00 0.00 C ATOM 413 NZ LYS A 39 1.720 -1.084 -13.222 1.00 0.00 N ATOM 0 H LYS A 39 -0.356 -2.114 -7.476 1.00 0.00 H new ATOM 0 HA LYS A 39 0.733 -3.484 -9.762 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.825 -1.668 -7.628 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.866 -2.451 -8.801 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.463 -1.184 -10.004 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.526 -0.047 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.422 -0.709 -10.557 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.576 -2.113 -11.179 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.959 0.217 -11.738 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.601 0.569 -12.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.356 -0.500 -14.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.631 -1.502 -13.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.041 -1.843 -13.012 1.00 0.00 H new ATOM 427 N LEU A 40 1.874 -4.440 -6.833 1.00 0.00 N ATOM 428 CA LEU A 40 2.423 -5.577 -6.115 1.00 0.00 C ATOM 429 C LEU A 40 1.452 -6.755 -6.214 1.00 0.00 C ATOM 430 O LEU A 40 1.854 -7.909 -6.070 1.00 0.00 O ATOM 431 CB LEU A 40 2.770 -5.185 -4.677 1.00 0.00 C ATOM 432 CG LEU A 40 3.751 -4.022 -4.516 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.721 -3.473 -3.088 1.00 0.00 C ATOM 434 CD2 LEU A 40 5.161 -4.432 -4.943 1.00 0.00 C ATOM 0 H LEU A 40 1.866 -3.566 -6.307 1.00 0.00 H new ATOM 0 HA LEU A 40 3.361 -5.898 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.846 -4.929 -4.158 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.187 -6.058 -4.174 1.00 0.00 H new ATOM 0 HG LEU A 40 3.436 -3.215 -5.178 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.427 -2.647 -3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.717 -3.118 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.997 -4.262 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.839 -3.587 -4.819 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.501 -5.264 -4.326 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.150 -4.738 -5.989 1.00 0.00 H new ATOM 446 N GLU A 41 0.193 -6.424 -6.459 1.00 0.00 N ATOM 447 CA GLU A 41 -0.839 -7.440 -6.580 1.00 0.00 C ATOM 448 C GLU A 41 -0.568 -8.329 -7.796 1.00 0.00 C ATOM 449 O GLU A 41 -0.719 -9.548 -7.724 1.00 0.00 O ATOM 450 CB GLU A 41 -2.228 -6.804 -6.663 1.00 0.00 C ATOM 451 CG GLU A 41 -2.838 -6.635 -5.271 1.00 0.00 C ATOM 452 CD GLU A 41 -4.349 -6.412 -5.358 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.737 -5.353 -5.896 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.083 -7.307 -4.883 1.00 0.00 O ATOM 0 H GLU A 41 -0.136 -5.466 -6.577 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.815 -8.063 -5.686 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.159 -5.833 -7.154 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.880 -7.425 -7.277 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.631 -7.520 -4.670 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.371 -5.790 -4.765 1.00 0.00 H new ATOM 461 N GLN A 42 -0.174 -7.684 -8.884 1.00 0.00 N ATOM 462 CA GLN A 42 0.118 -8.401 -10.114 1.00 0.00 C ATOM 463 C GLN A 42 1.630 -8.487 -10.331 1.00 0.00 C ATOM 464 O GLN A 42 2.089 -9.116 -11.283 1.00 0.00 O ATOM 465 CB GLN A 42 -0.572 -7.743 -11.310 1.00 0.00 C ATOM 466 CG GLN A 42 -0.104 -6.297 -11.485 1.00 0.00 C ATOM 467 CD GLN A 42 -0.626 -5.706 -12.796 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.078 -6.408 -13.686 1.00 0.00 O ATOM 469 NE2 GLN A 42 -0.540 -4.381 -12.865 1.00 0.00 N ATOM 0 H GLN A 42 -0.050 -6.673 -8.940 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.275 -9.414 -10.024 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.358 -8.311 -12.216 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.653 -7.765 -11.168 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.452 -5.694 -10.646 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.985 -6.260 -11.474 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.151 -3.854 -12.083 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.863 -3.892 -13.700 1.00 0.00 H new ATOM 478 N ALA A 43 2.363 -7.844 -9.434 1.00 0.00 N ATOM 479 CA ALA A 43 3.813 -7.839 -9.516 1.00 0.00 C ATOM 480 C ALA A 43 4.380 -8.851 -8.518 1.00 0.00 C ATOM 481 O ALA A 43 5.589 -9.070 -8.470 1.00 0.00 O ATOM 482 CB ALA A 43 4.334 -6.422 -9.268 1.00 0.00 C ATOM 0 H ALA A 43 1.979 -7.322 -8.646 1.00 0.00 H new ATOM 0 HA ALA A 43 4.141 -8.138 -10.511 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.422 -6.418 -9.330 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.926 -5.747 -10.021 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.026 -6.089 -8.277 1.00 0.00 H new ATOM 488 N LEU A 44 3.479 -9.441 -7.746 1.00 0.00 N ATOM 489 CA LEU A 44 3.873 -10.425 -6.752 1.00 0.00 C ATOM 490 C LEU A 44 2.736 -11.428 -6.555 1.00 0.00 C ATOM 491 O LEU A 44 2.966 -12.636 -6.532 1.00 0.00 O ATOM 492 CB LEU A 44 4.316 -9.734 -5.461 1.00 0.00 C ATOM 493 CG LEU A 44 5.509 -8.785 -5.583 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.590 -7.847 -4.377 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.810 -9.563 -5.791 1.00 0.00 C ATOM 0 H LEU A 44 2.477 -9.256 -7.789 1.00 0.00 H new ATOM 0 HA LEU A 44 4.739 -10.990 -7.097 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.470 -9.173 -5.064 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.562 -10.502 -4.727 1.00 0.00 H new ATOM 0 HG LEU A 44 5.361 -8.163 -6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.447 -7.183 -4.489 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.677 -7.254 -4.315 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.703 -8.435 -3.466 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.642 -8.864 -5.875 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.977 -10.226 -4.942 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.739 -10.153 -6.704 1.00 0.00 H new ATOM 507 N SER A 45 1.533 -10.891 -6.415 1.00 0.00 N ATOM 508 CA SER A 45 0.359 -11.724 -6.220 1.00 0.00 C ATOM 509 C SER A 45 0.519 -12.564 -4.951 1.00 0.00 C ATOM 510 O SER A 45 0.486 -13.793 -5.008 1.00 0.00 O ATOM 511 CB SER A 45 0.119 -12.630 -7.430 1.00 0.00 C ATOM 512 OG SER A 45 -1.258 -12.682 -7.793 1.00 0.00 O ATOM 0 H SER A 45 1.346 -9.888 -6.433 1.00 0.00 H new ATOM 0 HA SER A 45 -0.508 -11.073 -6.110 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.703 -12.268 -8.276 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.473 -13.636 -7.205 1.00 0.00 H new ATOM 0 HG SER A 45 -1.370 -13.269 -8.570 1.00 0.00 H new ATOM 518 N PRO A 46 0.692 -11.850 -3.807 1.00 0.00 N ATOM 519 CA PRO A 46 0.857 -12.517 -2.527 1.00 0.00 C ATOM 520 C PRO A 46 -0.476 -13.069 -2.020 1.00 0.00 C ATOM 521 O PRO A 46 -1.498 -12.950 -2.695 1.00 0.00 O ATOM 522 CB PRO A 46 1.451 -11.461 -1.608 1.00 0.00 C ATOM 523 CG PRO A 46 1.165 -10.123 -2.270 1.00 0.00 C ATOM 524 CD PRO A 46 0.736 -10.395 -3.703 1.00 0.00 C ATOM 0 HA PRO A 46 1.510 -13.388 -2.587 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.002 -11.510 -0.616 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.523 -11.612 -1.481 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.381 -9.590 -1.731 1.00 0.00 H new ATOM 0 HG3 PRO A 46 2.052 -9.490 -2.251 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.238 -9.953 -3.915 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.442 -9.968 -4.415 1.00 0.00 H new ATOM 532 N GLU A 47 -0.424 -13.661 -0.836 1.00 0.00 N ATOM 533 CA GLU A 47 -1.615 -14.232 -0.231 1.00 0.00 C ATOM 534 C GLU A 47 -2.349 -13.175 0.597 1.00 0.00 C ATOM 535 O GLU A 47 -3.537 -13.319 0.882 1.00 0.00 O ATOM 536 CB GLU A 47 -1.266 -15.453 0.623 1.00 0.00 C ATOM 537 CG GLU A 47 -0.631 -16.554 -0.229 1.00 0.00 C ATOM 538 CD GLU A 47 -1.647 -17.650 -0.554 1.00 0.00 C ATOM 539 OE1 GLU A 47 -2.525 -17.883 0.305 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.524 -18.230 -1.655 1.00 0.00 O ATOM 0 H GLU A 47 0.425 -13.758 -0.279 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.279 -14.566 -1.028 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.579 -15.161 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.167 -15.834 1.104 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.244 -16.126 -1.154 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.218 -16.986 0.302 1.00 0.00 H new ATOM 547 N VAL A 48 -1.610 -12.137 0.961 1.00 0.00 N ATOM 548 CA VAL A 48 -2.175 -11.057 1.751 1.00 0.00 C ATOM 549 C VAL A 48 -1.424 -9.759 1.444 1.00 0.00 C ATOM 550 O VAL A 48 -0.316 -9.549 1.933 1.00 0.00 O ATOM 551 CB VAL A 48 -2.150 -11.425 3.235 1.00 0.00 C ATOM 552 CG1 VAL A 48 -2.960 -10.425 4.063 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.653 -12.853 3.455 1.00 0.00 C ATOM 0 H VAL A 48 -0.625 -12.021 0.723 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.221 -10.898 1.487 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.115 -11.379 3.573 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.925 -10.711 5.114 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.537 -9.427 3.944 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.995 -10.424 3.721 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.625 -13.089 4.519 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.677 -12.938 3.092 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.016 -13.551 2.912 1.00 0.00 H new ATOM 563 N LEU A 49 -2.059 -8.923 0.635 1.00 0.00 N ATOM 564 CA LEU A 49 -1.465 -7.652 0.257 1.00 0.00 C ATOM 565 C LEU A 49 -2.324 -6.510 0.803 1.00 0.00 C ATOM 566 O LEU A 49 -3.147 -5.948 0.082 1.00 0.00 O ATOM 567 CB LEU A 49 -1.250 -7.590 -1.257 1.00 0.00 C ATOM 568 CG LEU A 49 0.107 -7.057 -1.720 1.00 0.00 C ATOM 569 CD1 LEU A 49 0.225 -7.109 -3.244 1.00 0.00 C ATOM 570 CD2 LEU A 49 0.359 -5.650 -1.173 1.00 0.00 C ATOM 0 H LEU A 49 -2.979 -9.101 0.231 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.475 -7.547 0.701 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.383 -8.592 -1.664 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.031 -6.964 -1.690 1.00 0.00 H new ATOM 0 HG LEU A 49 0.885 -7.704 -1.315 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.199 -6.724 -3.547 1.00 0.00 H new ATOM 0 HD12 LEU A 49 0.121 -8.140 -3.582 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.561 -6.500 -3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.330 -5.294 -1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.421 -4.976 -1.529 1.00 0.00 H new ATOM 0 HD23 LEU A 49 0.347 -5.676 -0.083 1.00 0.00 H new ATOM 582 N GLU A 50 -2.103 -6.201 2.073 1.00 0.00 N ATOM 583 CA GLU A 50 -2.846 -5.136 2.724 1.00 0.00 C ATOM 584 C GLU A 50 -2.141 -3.794 2.518 1.00 0.00 C ATOM 585 O GLU A 50 -0.913 -3.730 2.497 1.00 0.00 O ATOM 586 CB GLU A 50 -3.038 -5.432 4.212 1.00 0.00 C ATOM 587 CG GLU A 50 -4.300 -6.265 4.448 1.00 0.00 C ATOM 588 CD GLU A 50 -5.539 -5.372 4.527 1.00 0.00 C ATOM 589 OE1 GLU A 50 -5.409 -4.269 5.099 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.590 -5.813 4.013 1.00 0.00 O ATOM 0 H GLU A 50 -1.420 -6.670 2.668 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.835 -5.078 2.268 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.169 -5.966 4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.107 -4.496 4.767 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.419 -6.988 3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.197 -6.833 5.372 1.00 0.00 H new ATOM 597 N LEU A 51 -2.949 -2.753 2.371 1.00 0.00 N ATOM 598 CA LEU A 51 -2.418 -1.416 2.168 1.00 0.00 C ATOM 599 C LEU A 51 -3.415 -0.389 2.706 1.00 0.00 C ATOM 600 O LEU A 51 -4.616 -0.498 2.465 1.00 0.00 O ATOM 601 CB LEU A 51 -2.049 -1.204 0.698 1.00 0.00 C ATOM 602 CG LEU A 51 -1.638 0.217 0.309 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.671 0.810 1.336 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.061 0.252 -1.108 1.00 0.00 C ATOM 0 H LEU A 51 -3.967 -2.809 2.389 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.492 -1.285 2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.230 -1.879 0.448 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.901 -1.496 0.084 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.531 0.842 0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.395 1.821 1.035 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.153 0.841 2.313 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.224 0.191 1.392 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.777 1.274 -1.360 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.183 -0.392 -1.159 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.812 -0.101 -1.815 1.00 0.00 H new ATOM 616 N ARG A 52 -2.881 0.587 3.427 1.00 0.00 N ATOM 617 CA ARG A 52 -3.709 1.633 4.001 1.00 0.00 C ATOM 618 C ARG A 52 -2.885 2.905 4.215 1.00 0.00 C ATOM 619 O ARG A 52 -1.668 2.898 4.037 1.00 0.00 O ATOM 620 CB ARG A 52 -4.307 1.190 5.338 1.00 0.00 C ATOM 621 CG ARG A 52 -5.293 0.037 5.143 1.00 0.00 C ATOM 622 CD ARG A 52 -6.510 0.488 4.333 1.00 0.00 C ATOM 623 NE ARG A 52 -7.153 1.648 4.989 1.00 0.00 N ATOM 624 CZ ARG A 52 -7.895 1.566 6.102 1.00 0.00 C ATOM 625 NH1 ARG A 52 -8.092 0.378 6.689 1.00 0.00 N ATOM 626 NH2 ARG A 52 -8.440 2.672 6.627 1.00 0.00 N ATOM 0 H ARG A 52 -1.885 0.675 3.626 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.520 1.835 3.302 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.509 0.880 6.013 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.815 2.031 5.810 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.797 -0.788 4.632 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.616 -0.338 6.114 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.205 0.755 3.321 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.223 -0.332 4.245 1.00 0.00 H new ATOM 0 HE ARG A 52 -7.023 2.568 4.568 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.677 -0.464 6.289 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.657 0.315 7.536 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -8.290 3.576 6.179 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.005 2.610 7.474 1.00 0.00 H new ATOM 794 N THR A 66 2.189 10.848 1.652 1.00 0.00 N ATOM 795 CA THR A 66 3.624 10.711 1.838 1.00 0.00 C ATOM 796 C THR A 66 3.927 9.606 2.851 1.00 0.00 C ATOM 797 O THR A 66 5.082 9.218 3.025 1.00 0.00 O ATOM 798 CB THR A 66 4.180 12.077 2.244 1.00 0.00 C ATOM 799 OG1 THR A 66 3.688 12.273 3.567 1.00 0.00 O ATOM 800 CG2 THR A 66 3.561 13.224 1.443 1.00 0.00 C ATOM 0 HA THR A 66 4.116 10.405 0.914 1.00 0.00 H new ATOM 0 HB THR A 66 5.262 12.083 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 66 2.737 12.039 3.600 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.991 14.170 1.771 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.767 13.080 0.382 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.483 13.240 1.604 1.00 0.00 H new ATOM 808 N HIS A 67 2.871 9.129 3.492 1.00 0.00 N ATOM 809 CA HIS A 67 3.010 8.075 4.483 1.00 0.00 C ATOM 810 C HIS A 67 1.946 7.002 4.244 1.00 0.00 C ATOM 811 O HIS A 67 0.757 7.307 4.164 1.00 0.00 O ATOM 812 CB HIS A 67 2.961 8.652 5.900 1.00 0.00 C ATOM 813 CG HIS A 67 4.090 8.190 6.790 1.00 0.00 C ATOM 814 ND1 HIS A 67 3.982 7.096 7.631 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.350 8.683 6.960 1.00 0.00 C ATOM 816 CE1 HIS A 67 5.130 6.948 8.275 1.00 0.00 C ATOM 817 NE2 HIS A 67 5.977 7.933 7.858 1.00 0.00 N ATOM 0 H HIS A 67 1.915 9.453 3.345 1.00 0.00 H new ATOM 0 HA HIS A 67 3.986 7.600 4.379 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.982 9.740 5.839 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.012 8.377 6.361 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.767 9.539 6.450 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.356 6.182 9.002 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.934 8.070 8.183 1.00 0.00 H new ATOM 825 N PHE A 68 2.412 5.766 4.136 1.00 0.00 N ATOM 826 CA PHE A 68 1.516 4.646 3.907 1.00 0.00 C ATOM 827 C PHE A 68 2.036 3.380 4.591 1.00 0.00 C ATOM 828 O PHE A 68 3.166 3.351 5.075 1.00 0.00 O ATOM 829 CB PHE A 68 1.470 4.412 2.395 1.00 0.00 C ATOM 830 CG PHE A 68 0.500 5.333 1.653 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.831 5.053 1.642 1.00 0.00 C ATOM 832 CD2 PHE A 68 0.968 6.432 1.003 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.731 5.908 0.953 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.068 7.288 0.314 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.263 7.007 0.304 1.00 0.00 C ATOM 0 H PHE A 68 3.399 5.516 4.203 1.00 0.00 H new ATOM 0 HA PHE A 68 0.530 4.869 4.315 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.471 4.550 1.986 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.188 3.376 2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.203 4.180 2.158 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.025 6.654 1.011 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.788 5.685 0.944 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.440 8.161 -0.201 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.948 7.657 -0.220 1.00 0.00 H new ATOM 845 N ARG A 69 1.185 2.364 4.608 1.00 0.00 N ATOM 846 CA ARG A 69 1.544 1.098 5.225 1.00 0.00 C ATOM 847 C ARG A 69 1.038 -0.069 4.375 1.00 0.00 C ATOM 848 O ARG A 69 -0.168 -0.288 4.270 1.00 0.00 O ATOM 849 CB ARG A 69 0.958 0.986 6.634 1.00 0.00 C ATOM 850 CG ARG A 69 2.022 0.533 7.636 1.00 0.00 C ATOM 851 CD ARG A 69 1.842 1.237 8.982 1.00 0.00 C ATOM 852 NE ARG A 69 3.015 2.093 9.266 1.00 0.00 N ATOM 853 CZ ARG A 69 4.197 1.630 9.694 1.00 0.00 C ATOM 854 NH1 ARG A 69 4.371 0.316 9.890 1.00 0.00 N ATOM 855 NH2 ARG A 69 5.206 2.481 9.926 1.00 0.00 N ATOM 0 H ARG A 69 0.249 2.392 4.205 1.00 0.00 H new ATOM 0 HA ARG A 69 2.631 1.058 5.292 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.552 1.950 6.940 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.130 0.277 6.632 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.960 -0.546 7.775 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.015 0.747 7.240 1.00 0.00 H new ATOM 0 HD2 ARG A 69 0.935 1.842 8.967 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.720 0.499 9.774 1.00 0.00 H new ATOM 0 HE ARG A 69 2.918 3.099 9.127 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.603 -0.332 9.713 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.271 -0.036 10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.074 3.481 9.777 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.106 2.128 10.252 1.00 0.00 H new ATOM 869 N VAL A 70 1.985 -0.788 3.790 1.00 0.00 N ATOM 870 CA VAL A 70 1.650 -1.927 2.952 1.00 0.00 C ATOM 871 C VAL A 70 2.118 -3.213 3.637 1.00 0.00 C ATOM 872 O VAL A 70 3.155 -3.226 4.299 1.00 0.00 O ATOM 873 CB VAL A 70 2.246 -1.742 1.555 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.567 -2.501 1.418 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.252 -2.172 0.474 1.00 0.00 C ATOM 0 H VAL A 70 2.984 -0.604 3.880 1.00 0.00 H new ATOM 0 HA VAL A 70 0.570 -2.002 2.822 1.00 0.00 H new ATOM 0 HB VAL A 70 2.453 -0.681 1.417 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.969 -2.353 0.416 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.279 -2.128 2.154 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.395 -3.564 1.586 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.700 -2.030 -0.509 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.999 -3.224 0.610 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.347 -1.569 0.551 1.00 0.00 H new ATOM 885 N ALA A 71 1.331 -4.263 3.454 1.00 0.00 N ATOM 886 CA ALA A 71 1.652 -5.551 4.045 1.00 0.00 C ATOM 887 C ALA A 71 1.556 -6.638 2.973 1.00 0.00 C ATOM 888 O ALA A 71 0.463 -7.099 2.649 1.00 0.00 O ATOM 889 CB ALA A 71 0.720 -5.815 5.230 1.00 0.00 C ATOM 0 H ALA A 71 0.472 -4.248 2.905 1.00 0.00 H new ATOM 0 HA ALA A 71 2.673 -5.555 4.426 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.960 -6.781 5.674 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.849 -5.031 5.976 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.314 -5.821 4.885 1.00 0.00 H new ATOM 895 N VAL A 72 2.714 -7.016 2.453 1.00 0.00 N ATOM 896 CA VAL A 72 2.774 -8.040 1.425 1.00 0.00 C ATOM 897 C VAL A 72 3.021 -9.401 2.079 1.00 0.00 C ATOM 898 O VAL A 72 3.816 -9.510 3.012 1.00 0.00 O ATOM 899 CB VAL A 72 3.835 -7.676 0.384 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.236 -7.697 1.000 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.756 -8.605 -0.828 1.00 0.00 C ATOM 0 H VAL A 72 3.619 -6.631 2.725 1.00 0.00 H new ATOM 0 HA VAL A 72 1.824 -8.102 0.894 1.00 0.00 H new ATOM 0 HB VAL A 72 3.634 -6.661 0.041 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.972 -7.435 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.285 -6.976 1.816 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.450 -8.695 1.383 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.521 -8.324 -1.552 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.919 -9.634 -0.509 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.772 -8.520 -1.288 1.00 0.00 H new ATOM 911 N VAL A 73 2.325 -10.404 1.566 1.00 0.00 N ATOM 912 CA VAL A 73 2.458 -11.753 2.089 1.00 0.00 C ATOM 913 C VAL A 73 2.641 -12.731 0.926 1.00 0.00 C ATOM 914 O VAL A 73 1.671 -13.309 0.439 1.00 0.00 O ATOM 915 CB VAL A 73 1.257 -12.093 2.973 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.301 -13.556 3.419 1.00 0.00 C ATOM 917 CG2 VAL A 73 1.179 -11.154 4.178 1.00 0.00 C ATOM 0 H VAL A 73 1.666 -10.310 0.793 1.00 0.00 H new ATOM 0 HA VAL A 73 3.342 -11.831 2.722 1.00 0.00 H new ATOM 0 HB VAL A 73 0.354 -11.951 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.436 -13.771 4.046 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.284 -14.204 2.543 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.214 -13.736 3.986 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.316 -11.418 4.790 1.00 0.00 H new ATOM 0 HG22 VAL A 73 2.088 -11.249 4.772 1.00 0.00 H new ATOM 0 HG23 VAL A 73 1.077 -10.125 3.832 1.00 0.00 H new ATOM 927 N SER A 74 3.891 -12.885 0.515 1.00 0.00 N ATOM 928 CA SER A 74 4.213 -13.783 -0.581 1.00 0.00 C ATOM 929 C SER A 74 5.404 -14.666 -0.202 1.00 0.00 C ATOM 930 O SER A 74 6.105 -14.385 0.769 1.00 0.00 O ATOM 931 CB SER A 74 4.519 -13.002 -1.861 1.00 0.00 C ATOM 932 OG SER A 74 3.618 -13.331 -2.915 1.00 0.00 O ATOM 0 H SER A 74 4.693 -12.403 0.921 1.00 0.00 H new ATOM 0 HA SER A 74 3.346 -14.415 -0.771 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.462 -11.933 -1.656 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.540 -13.212 -2.178 1.00 0.00 H new ATOM 0 HG SER A 74 3.845 -12.811 -3.714 1.00 0.00 H new ATOM 938 N SER A 75 5.595 -15.716 -0.987 1.00 0.00 N ATOM 939 CA SER A 75 6.688 -16.642 -0.746 1.00 0.00 C ATOM 940 C SER A 75 7.973 -16.112 -1.384 1.00 0.00 C ATOM 941 O SER A 75 9.043 -16.692 -1.207 1.00 0.00 O ATOM 942 CB SER A 75 6.360 -18.034 -1.288 1.00 0.00 C ATOM 943 OG SER A 75 6.145 -18.021 -2.697 1.00 0.00 O ATOM 0 H SER A 75 5.011 -15.946 -1.791 1.00 0.00 H new ATOM 0 HA SER A 75 6.834 -16.727 0.331 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.176 -18.717 -1.052 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.470 -18.417 -0.789 1.00 0.00 H new ATOM 0 HG SER A 75 5.940 -18.928 -3.005 1.00 0.00 H new ATOM 949 N ARG A 76 7.825 -15.016 -2.114 1.00 0.00 N ATOM 950 CA ARG A 76 8.961 -14.401 -2.780 1.00 0.00 C ATOM 951 C ARG A 76 10.086 -14.137 -1.776 1.00 0.00 C ATOM 952 O ARG A 76 11.257 -14.364 -2.077 1.00 0.00 O ATOM 953 CB ARG A 76 8.562 -13.083 -3.446 1.00 0.00 C ATOM 954 CG ARG A 76 7.814 -13.337 -4.757 1.00 0.00 C ATOM 955 CD ARG A 76 8.737 -13.145 -5.961 1.00 0.00 C ATOM 956 NE ARG A 76 9.975 -13.935 -5.781 1.00 0.00 N ATOM 957 CZ ARG A 76 10.734 -14.383 -6.790 1.00 0.00 C ATOM 958 NH1 ARG A 76 10.386 -14.122 -8.057 1.00 0.00 N ATOM 959 NH2 ARG A 76 11.841 -15.092 -6.532 1.00 0.00 N ATOM 0 H ARG A 76 6.936 -14.538 -2.259 1.00 0.00 H new ATOM 0 HA ARG A 76 9.309 -15.092 -3.548 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.932 -12.505 -2.769 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.452 -12.485 -3.641 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.412 -14.350 -4.760 1.00 0.00 H new ATOM 0 HG3 ARG A 76 6.965 -12.657 -4.833 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.227 -13.455 -6.873 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.983 -12.089 -6.076 1.00 0.00 H new ATOM 0 HE ARG A 76 10.269 -14.152 -4.829 1.00 0.00 H new ATOM 0 HH11 ARG A 76 9.543 -13.582 -8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.964 -14.463 -8.825 1.00 0.00 H new ATOM 0 HH21 ARG A 76 12.106 -15.291 -5.567 1.00 0.00 H new ATOM 0 HH22 ARG A 76 12.419 -15.433 -7.300 1.00 0.00 H new ATOM 973 N PHE A 77 9.690 -13.661 -0.605 1.00 0.00 N ATOM 974 CA PHE A 77 10.650 -13.363 0.445 1.00 0.00 C ATOM 975 C PHE A 77 10.799 -14.546 1.403 1.00 0.00 C ATOM 976 O PHE A 77 10.777 -14.370 2.621 1.00 0.00 O ATOM 977 CB PHE A 77 10.108 -12.160 1.218 1.00 0.00 C ATOM 978 CG PHE A 77 9.356 -11.149 0.350 1.00 0.00 C ATOM 979 CD1 PHE A 77 10.024 -10.436 -0.596 1.00 0.00 C ATOM 980 CD2 PHE A 77 8.020 -10.964 0.524 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.326 -9.498 -1.402 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.322 -10.026 -0.281 1.00 0.00 C ATOM 983 CZ PHE A 77 7.990 -9.313 -1.228 1.00 0.00 C ATOM 0 H PHE A 77 8.718 -13.474 -0.360 1.00 0.00 H new ATOM 0 HA PHE A 77 11.628 -13.159 0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.441 -12.516 2.003 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.938 -11.654 1.711 1.00 0.00 H new ATOM 0 HD1 PHE A 77 11.085 -10.583 -0.734 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.490 -11.531 1.275 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.856 -8.932 -2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.261 -9.878 -0.142 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.459 -8.600 -1.842 1.00 0.00 H new ATOM 993 N GLU A 78 10.946 -15.726 0.819 1.00 0.00 N ATOM 994 CA GLU A 78 11.098 -16.938 1.606 1.00 0.00 C ATOM 995 C GLU A 78 12.563 -17.134 2.001 1.00 0.00 C ATOM 996 O GLU A 78 13.188 -18.119 1.612 1.00 0.00 O ATOM 997 CB GLU A 78 10.568 -18.155 0.847 1.00 0.00 C ATOM 998 CG GLU A 78 9.167 -18.535 1.330 1.00 0.00 C ATOM 999 CD GLU A 78 9.161 -19.932 1.952 1.00 0.00 C ATOM 1000 OE1 GLU A 78 9.170 -20.904 1.166 1.00 0.00 O ATOM 1001 OE2 GLU A 78 9.149 -19.998 3.200 1.00 0.00 O ATOM 0 H GLU A 78 10.963 -15.869 -0.191 1.00 0.00 H new ATOM 0 HA GLU A 78 10.507 -16.833 2.516 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.542 -17.939 -0.221 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.245 -18.998 0.985 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.821 -17.806 2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.469 -18.503 0.493 1.00 0.00 H new ATOM 1008 N GLY A 79 13.069 -16.179 2.769 1.00 0.00 N ATOM 1009 CA GLY A 79 14.449 -16.235 3.221 1.00 0.00 C ATOM 1010 C GLY A 79 15.248 -15.043 2.690 1.00 0.00 C ATOM 1011 O GLY A 79 16.345 -14.764 3.170 1.00 0.00 O ATOM 0 H GLY A 79 12.548 -15.363 3.089 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.479 -16.241 4.311 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.908 -17.164 2.884 1.00 0.00 H new ATOM 1015 N MET A 80 14.666 -14.372 1.707 1.00 0.00 N ATOM 1016 CA MET A 80 15.310 -13.217 1.106 1.00 0.00 C ATOM 1017 C MET A 80 15.850 -12.270 2.179 1.00 0.00 C ATOM 1018 O MET A 80 15.604 -12.468 3.368 1.00 0.00 O ATOM 1019 CB MET A 80 14.304 -12.471 0.227 1.00 0.00 C ATOM 1020 CG MET A 80 14.219 -13.102 -1.165 1.00 0.00 C ATOM 1021 SD MET A 80 13.040 -12.212 -2.167 1.00 0.00 S ATOM 1022 CE MET A 80 14.153 -11.379 -3.287 1.00 0.00 C ATOM 0 H MET A 80 13.755 -14.606 1.312 1.00 0.00 H new ATOM 0 HA MET A 80 16.147 -13.566 0.501 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.321 -12.487 0.698 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.598 -11.425 0.139 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.199 -13.086 -1.641 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.922 -14.148 -1.082 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.642 -11.183 -4.229 1.00 0.00 H new ATOM 0 HE2 MET A 80 14.475 -10.436 -2.846 1.00 0.00 H new ATOM 0 HE3 MET A 80 15.023 -12.009 -3.471 1.00 0.00 H new ATOM 1032 N SER A 81 16.577 -11.261 1.722 1.00 0.00 N ATOM 1033 CA SER A 81 17.155 -10.283 2.628 1.00 0.00 C ATOM 1034 C SER A 81 16.080 -9.293 3.083 1.00 0.00 C ATOM 1035 O SER A 81 15.028 -9.181 2.456 1.00 0.00 O ATOM 1036 CB SER A 81 18.317 -9.538 1.968 1.00 0.00 C ATOM 1037 OG SER A 81 19.542 -10.257 2.077 1.00 0.00 O ATOM 0 H SER A 81 16.779 -11.100 0.735 1.00 0.00 H new ATOM 0 HA SER A 81 17.546 -10.812 3.497 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.088 -9.369 0.916 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.429 -8.558 2.431 1.00 0.00 H new ATOM 0 HG SER A 81 20.259 -9.750 1.642 1.00 0.00 H new ATOM 1043 N PRO A 82 16.390 -8.581 4.200 1.00 0.00 N ATOM 1044 CA PRO A 82 15.464 -7.605 4.746 1.00 0.00 C ATOM 1045 C PRO A 82 15.446 -6.332 3.898 1.00 0.00 C ATOM 1046 O PRO A 82 14.465 -5.589 3.906 1.00 0.00 O ATOM 1047 CB PRO A 82 15.940 -7.364 6.169 1.00 0.00 C ATOM 1048 CG PRO A 82 17.377 -7.856 6.217 1.00 0.00 C ATOM 1049 CD PRO A 82 17.627 -8.687 4.969 1.00 0.00 C ATOM 0 HA PRO A 82 14.432 -7.955 4.739 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.880 -6.307 6.427 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.319 -7.902 6.885 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.068 -7.014 6.259 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.546 -8.453 7.113 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.478 -8.307 4.404 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.849 -9.724 5.221 1.00 0.00 H new ATOM 1057 N LEU A 83 16.542 -6.118 3.186 1.00 0.00 N ATOM 1058 CA LEU A 83 16.665 -4.947 2.334 1.00 0.00 C ATOM 1059 C LEU A 83 16.028 -5.243 0.974 1.00 0.00 C ATOM 1060 O LEU A 83 15.233 -4.450 0.472 1.00 0.00 O ATOM 1061 CB LEU A 83 18.125 -4.500 2.245 1.00 0.00 C ATOM 1062 CG LEU A 83 18.547 -3.390 3.210 1.00 0.00 C ATOM 1063 CD1 LEU A 83 20.061 -3.173 3.168 1.00 0.00 C ATOM 1064 CD2 LEU A 83 17.775 -2.099 2.931 1.00 0.00 C ATOM 0 H LEU A 83 17.354 -6.736 3.181 1.00 0.00 H new ATOM 0 HA LEU A 83 16.124 -4.104 2.764 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.761 -5.368 2.420 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.319 -4.162 1.227 1.00 0.00 H new ATOM 0 HG LEU A 83 18.295 -3.704 4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.334 -2.379 3.863 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.569 -4.095 3.452 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.360 -2.891 2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.094 -1.326 3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.973 -1.770 1.911 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.707 -2.280 3.052 1.00 0.00 H new ATOM 1076 N GLN A 84 16.401 -6.385 0.417 1.00 0.00 N ATOM 1077 CA GLN A 84 15.877 -6.795 -0.874 1.00 0.00 C ATOM 1078 C GLN A 84 14.349 -6.721 -0.874 1.00 0.00 C ATOM 1079 O GLN A 84 13.752 -6.131 -1.774 1.00 0.00 O ATOM 1080 CB GLN A 84 16.357 -8.201 -1.241 1.00 0.00 C ATOM 1081 CG GLN A 84 17.871 -8.222 -1.462 1.00 0.00 C ATOM 1082 CD GLN A 84 18.352 -9.629 -1.823 1.00 0.00 C ATOM 1083 OE1 GLN A 84 18.602 -10.466 -0.970 1.00 0.00 O ATOM 1084 NE2 GLN A 84 18.468 -9.842 -3.131 1.00 0.00 N ATOM 0 H GLN A 84 17.061 -7.040 0.837 1.00 0.00 H new ATOM 0 HA GLN A 84 16.256 -6.109 -1.631 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.092 -8.899 -0.447 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.849 -8.539 -2.144 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.136 -7.527 -2.259 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.379 -7.880 -0.560 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.242 -9.098 -3.791 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.783 -10.750 -3.474 1.00 0.00 H new ATOM 1093 N ARG A 85 13.758 -7.327 0.145 1.00 0.00 N ATOM 1094 CA ARG A 85 12.311 -7.337 0.274 1.00 0.00 C ATOM 1095 C ARG A 85 11.732 -5.983 -0.139 1.00 0.00 C ATOM 1096 O ARG A 85 10.989 -5.893 -1.115 1.00 0.00 O ATOM 1097 CB ARG A 85 11.888 -7.648 1.711 1.00 0.00 C ATOM 1098 CG ARG A 85 11.976 -9.149 1.996 1.00 0.00 C ATOM 1099 CD ARG A 85 12.030 -9.419 3.501 1.00 0.00 C ATOM 1100 NE ARG A 85 12.836 -10.631 3.769 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.977 -11.186 4.980 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.368 -10.642 6.042 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.728 -12.286 5.129 1.00 0.00 N ATOM 0 H ARG A 85 14.256 -7.815 0.890 1.00 0.00 H new ATOM 0 HA ARG A 85 11.925 -8.117 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.526 -7.104 2.407 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.868 -7.302 1.877 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.114 -9.656 1.563 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.863 -9.562 1.517 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.464 -8.562 4.017 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.021 -9.549 3.892 1.00 0.00 H new ATOM 0 HE ARG A 85 13.314 -11.071 2.983 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.797 -9.805 5.929 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.476 -11.065 6.964 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.192 -12.700 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.836 -12.709 6.051 1.00 0.00 H new ATOM 1117 N HIS A 86 12.095 -4.962 0.624 1.00 0.00 N ATOM 1118 CA HIS A 86 11.621 -3.617 0.350 1.00 0.00 C ATOM 1119 C HIS A 86 11.932 -3.249 -1.102 1.00 0.00 C ATOM 1120 O HIS A 86 11.155 -2.548 -1.749 1.00 0.00 O ATOM 1121 CB HIS A 86 12.206 -2.619 1.352 1.00 0.00 C ATOM 1122 CG HIS A 86 11.639 -2.745 2.746 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.382 -1.650 3.553 1.00 0.00 N ATOM 1124 CD2 HIS A 86 11.280 -3.847 3.466 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.893 -2.085 4.705 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.831 -3.446 4.649 1.00 0.00 N ATOM 0 H HIS A 86 12.712 -5.040 1.432 1.00 0.00 H new ATOM 0 HA HIS A 86 10.539 -3.577 0.475 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.287 -2.755 1.397 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.027 -1.607 0.988 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.349 -4.871 3.130 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.596 -1.470 5.541 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.495 -4.056 5.394 1.00 0.00 H new ATOM 1134 N ARG A 87 13.070 -3.739 -1.572 1.00 0.00 N ATOM 1135 CA ARG A 87 13.493 -3.470 -2.936 1.00 0.00 C ATOM 1136 C ARG A 87 12.489 -4.059 -3.929 1.00 0.00 C ATOM 1137 O ARG A 87 12.074 -3.386 -4.871 1.00 0.00 O ATOM 1138 CB ARG A 87 14.878 -4.062 -3.209 1.00 0.00 C ATOM 1139 CG ARG A 87 15.559 -3.347 -4.378 1.00 0.00 C ATOM 1140 CD ARG A 87 16.835 -4.078 -4.800 1.00 0.00 C ATOM 1141 NE ARG A 87 17.762 -3.136 -5.465 1.00 0.00 N ATOM 1142 CZ ARG A 87 19.048 -3.405 -5.727 1.00 0.00 C ATOM 1143 NH1 ARG A 87 19.568 -4.591 -5.380 1.00 0.00 N ATOM 1144 NH2 ARG A 87 19.815 -2.490 -6.334 1.00 0.00 N ATOM 0 H ARG A 87 13.712 -4.320 -1.033 1.00 0.00 H new ATOM 0 HA ARG A 87 13.541 -2.388 -3.062 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.497 -3.976 -2.316 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.786 -5.125 -3.432 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.873 -3.289 -5.223 1.00 0.00 H new ATOM 0 HG3 ARG A 87 15.800 -2.323 -4.092 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.316 -4.520 -3.927 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.588 -4.896 -5.476 1.00 0.00 H new ATOM 0 HE ARG A 87 17.399 -2.224 -5.742 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.985 -5.288 -4.917 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.547 -4.797 -5.579 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.420 -1.587 -6.597 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.794 -2.696 -6.533 1.00 0.00 H new ATOM 1158 N LEU A 88 12.129 -5.311 -3.685 1.00 0.00 N ATOM 1159 CA LEU A 88 11.181 -5.998 -4.546 1.00 0.00 C ATOM 1160 C LEU A 88 9.987 -5.081 -4.817 1.00 0.00 C ATOM 1161 O LEU A 88 9.616 -4.863 -5.969 1.00 0.00 O ATOM 1162 CB LEU A 88 10.794 -7.351 -3.945 1.00 0.00 C ATOM 1163 CG LEU A 88 11.476 -8.576 -4.557 1.00 0.00 C ATOM 1164 CD1 LEU A 88 10.732 -9.050 -5.807 1.00 0.00 C ATOM 1165 CD2 LEU A 88 12.953 -8.298 -4.840 1.00 0.00 C ATOM 0 H LEU A 88 12.477 -5.867 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 88 11.636 -6.222 -5.511 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.018 -7.330 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.715 -7.474 -4.042 1.00 0.00 H new ATOM 0 HG LEU A 88 11.435 -9.388 -3.831 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.237 -9.922 -6.223 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.709 -9.316 -5.542 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.719 -8.251 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 88 13.413 -9.185 -5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 88 13.039 -7.465 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.460 -8.045 -3.909 1.00 0.00 H new ATOM 1177 N VAL A 89 9.418 -4.569 -3.736 1.00 0.00 N ATOM 1178 CA VAL A 89 8.273 -3.681 -3.842 1.00 0.00 C ATOM 1179 C VAL A 89 8.695 -2.395 -4.555 1.00 0.00 C ATOM 1180 O VAL A 89 8.133 -2.042 -5.591 1.00 0.00 O ATOM 1181 CB VAL A 89 7.676 -3.428 -2.456 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.581 -2.360 -2.517 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.144 -4.725 -1.843 1.00 0.00 C ATOM 0 H VAL A 89 9.729 -4.752 -2.782 1.00 0.00 H new ATOM 0 HA VAL A 89 7.487 -4.142 -4.440 1.00 0.00 H new ATOM 0 HB VAL A 89 8.472 -3.055 -1.811 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.173 -2.199 -1.519 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.003 -1.427 -2.891 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.786 -2.692 -3.184 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.725 -4.517 -0.858 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.369 -5.140 -2.487 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.959 -5.443 -1.747 1.00 0.00 H new ATOM 1193 N HIS A 90 9.681 -1.729 -3.972 1.00 0.00 N ATOM 1194 CA HIS A 90 10.186 -0.490 -4.539 1.00 0.00 C ATOM 1195 C HIS A 90 10.374 -0.655 -6.048 1.00 0.00 C ATOM 1196 O HIS A 90 9.794 0.092 -6.835 1.00 0.00 O ATOM 1197 CB HIS A 90 11.465 -0.048 -3.826 1.00 0.00 C ATOM 1198 CG HIS A 90 11.228 0.599 -2.483 1.00 0.00 C ATOM 1199 ND1 HIS A 90 12.185 1.365 -1.840 1.00 0.00 N ATOM 1200 CD2 HIS A 90 10.134 0.587 -1.668 1.00 0.00 C ATOM 1201 CE1 HIS A 90 11.679 1.789 -0.691 1.00 0.00 C ATOM 1202 NE2 HIS A 90 10.408 1.305 -0.586 1.00 0.00 N ATOM 0 H HIS A 90 10.144 -2.024 -3.112 1.00 0.00 H new ATOM 0 HA HIS A 90 9.460 0.308 -4.384 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.111 -0.915 -3.691 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.001 0.653 -4.466 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.202 0.079 -1.869 1.00 0.00 H new ATOM 0 HE1 HIS A 90 12.184 2.409 0.035 1.00 0.00 H new ATOM 0 HE2 HIS A 90 9.773 1.468 0.195 1.00 0.00 H new ATOM 1210 N GLU A 91 11.187 -1.637 -6.407 1.00 0.00 N ATOM 1211 CA GLU A 91 11.459 -1.910 -7.808 1.00 0.00 C ATOM 1212 C GLU A 91 10.180 -1.765 -8.635 1.00 0.00 C ATOM 1213 O GLU A 91 10.204 -1.202 -9.728 1.00 0.00 O ATOM 1214 CB GLU A 91 12.074 -3.299 -7.987 1.00 0.00 C ATOM 1215 CG GLU A 91 13.494 -3.203 -8.549 1.00 0.00 C ATOM 1216 CD GLU A 91 13.797 -4.380 -9.478 1.00 0.00 C ATOM 1217 OE1 GLU A 91 13.016 -4.562 -10.437 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.802 -5.072 -9.207 1.00 0.00 O ATOM 0 H GLU A 91 11.667 -2.254 -5.752 1.00 0.00 H new ATOM 0 HA GLU A 91 12.184 -1.180 -8.166 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.093 -3.818 -7.029 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.453 -3.892 -8.659 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.611 -2.266 -9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.213 -3.187 -7.730 1.00 0.00 H new ATOM 1225 N ALA A 92 9.094 -2.284 -8.081 1.00 0.00 N ATOM 1226 CA ALA A 92 7.808 -2.220 -8.754 1.00 0.00 C ATOM 1227 C ALA A 92 7.247 -0.802 -8.638 1.00 0.00 C ATOM 1228 O ALA A 92 6.704 -0.264 -9.603 1.00 0.00 O ATOM 1229 CB ALA A 92 6.867 -3.270 -8.158 1.00 0.00 C ATOM 0 H ALA A 92 9.078 -2.750 -7.174 1.00 0.00 H new ATOM 0 HA ALA A 92 7.918 -2.445 -9.815 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.902 -3.222 -8.663 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.298 -4.262 -8.292 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.730 -3.074 -7.094 1.00 0.00 H new ATOM 1235 N LEU A 93 7.397 -0.235 -7.450 1.00 0.00 N ATOM 1236 CA LEU A 93 6.912 1.111 -7.196 1.00 0.00 C ATOM 1237 C LEU A 93 8.099 2.026 -6.890 1.00 0.00 C ATOM 1238 O LEU A 93 8.207 2.561 -5.787 1.00 0.00 O ATOM 1239 CB LEU A 93 5.846 1.098 -6.099 1.00 0.00 C ATOM 1240 CG LEU A 93 4.518 0.429 -6.461 1.00 0.00 C ATOM 1241 CD1 LEU A 93 3.950 1.007 -7.759 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.671 -1.092 -6.529 1.00 0.00 C ATOM 0 H LEU A 93 7.848 -0.683 -6.652 1.00 0.00 H new ATOM 0 HA LEU A 93 6.419 1.513 -8.082 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.258 0.593 -5.226 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.643 2.128 -5.805 1.00 0.00 H new ATOM 0 HG LEU A 93 3.799 0.645 -5.670 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.006 0.515 -7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.781 2.077 -7.637 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.658 0.842 -8.571 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.713 -1.543 -6.788 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.410 -1.350 -7.287 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.999 -1.468 -5.560 1.00 0.00 H new ATOM 1254 N SER A 94 8.959 2.180 -7.886 1.00 0.00 N ATOM 1255 CA SER A 94 10.134 3.022 -7.736 1.00 0.00 C ATOM 1256 C SER A 94 9.739 4.496 -7.847 1.00 0.00 C ATOM 1257 O SER A 94 10.245 5.335 -7.104 1.00 0.00 O ATOM 1258 CB SER A 94 11.196 2.676 -8.783 1.00 0.00 C ATOM 1259 OG SER A 94 12.144 3.727 -8.948 1.00 0.00 O ATOM 0 H SER A 94 8.866 1.736 -8.800 1.00 0.00 H new ATOM 0 HA SER A 94 10.562 2.841 -6.750 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.714 1.764 -8.487 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.711 2.472 -9.738 1.00 0.00 H new ATOM 0 HG SER A 94 12.806 3.468 -9.623 1.00 0.00 H new ATOM 1265 N GLU A 95 8.839 4.765 -8.782 1.00 0.00 N ATOM 1266 CA GLU A 95 8.371 6.124 -8.999 1.00 0.00 C ATOM 1267 C GLU A 95 7.550 6.601 -7.799 1.00 0.00 C ATOM 1268 O GLU A 95 7.533 7.790 -7.488 1.00 0.00 O ATOM 1269 CB GLU A 95 7.560 6.223 -10.293 1.00 0.00 C ATOM 1270 CG GLU A 95 8.428 6.729 -11.447 1.00 0.00 C ATOM 1271 CD GLU A 95 7.739 7.875 -12.190 1.00 0.00 C ATOM 1272 OE1 GLU A 95 6.758 7.579 -12.906 1.00 0.00 O ATOM 1273 OE2 GLU A 95 8.208 9.022 -12.025 1.00 0.00 O ATOM 0 H GLU A 95 8.422 4.066 -9.397 1.00 0.00 H new ATOM 0 HA GLU A 95 9.239 6.775 -9.102 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.149 5.245 -10.544 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.715 6.896 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.390 7.067 -11.062 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.631 5.912 -12.139 1.00 0.00 H new ATOM 1280 N GLU A 96 6.890 5.648 -7.158 1.00 0.00 N ATOM 1281 CA GLU A 96 6.069 5.955 -6.000 1.00 0.00 C ATOM 1282 C GLU A 96 6.931 6.541 -4.879 1.00 0.00 C ATOM 1283 O GLU A 96 6.694 7.661 -4.430 1.00 0.00 O ATOM 1284 CB GLU A 96 5.312 4.716 -5.518 1.00 0.00 C ATOM 1285 CG GLU A 96 4.476 4.111 -6.648 1.00 0.00 C ATOM 1286 CD GLU A 96 3.463 5.125 -7.184 1.00 0.00 C ATOM 1287 OE1 GLU A 96 3.864 5.917 -8.064 1.00 0.00 O ATOM 1288 OE2 GLU A 96 2.311 5.086 -6.700 1.00 0.00 O ATOM 0 H GLU A 96 6.907 4.662 -7.419 1.00 0.00 H new ATOM 0 HA GLU A 96 5.329 6.700 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.020 3.974 -5.147 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.663 4.983 -4.684 1.00 0.00 H new ATOM 0 HG2 GLU A 96 5.131 3.785 -7.456 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.953 3.226 -6.285 1.00 0.00 H new ATOM 1295 N LEU A 97 7.913 5.757 -4.460 1.00 0.00 N ATOM 1296 CA LEU A 97 8.811 6.183 -3.400 1.00 0.00 C ATOM 1297 C LEU A 97 9.537 7.458 -3.836 1.00 0.00 C ATOM 1298 O LEU A 97 9.933 8.267 -2.999 1.00 0.00 O ATOM 1299 CB LEU A 97 9.752 5.044 -3.004 1.00 0.00 C ATOM 1300 CG LEU A 97 9.280 4.153 -1.853 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.753 4.995 -0.689 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.247 3.133 -2.337 1.00 0.00 C ATOM 0 H LEU A 97 8.107 4.829 -4.835 1.00 0.00 H new ATOM 0 HA LEU A 97 8.249 6.427 -2.499 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.918 4.416 -3.879 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.716 5.474 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 97 10.137 3.591 -1.482 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.424 4.338 0.116 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.546 5.647 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.913 5.601 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.928 2.513 -1.499 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.385 3.656 -2.750 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.691 2.502 -3.107 1.00 0.00 H new ATOM 1314 N ALA A 98 9.690 7.596 -5.145 1.00 0.00 N ATOM 1315 CA ALA A 98 10.361 8.758 -5.701 1.00 0.00 C ATOM 1316 C ALA A 98 9.325 9.680 -6.346 1.00 0.00 C ATOM 1317 O ALA A 98 9.361 9.912 -7.553 1.00 0.00 O ATOM 1318 CB ALA A 98 11.433 8.302 -6.693 1.00 0.00 C ATOM 0 H ALA A 98 9.361 6.922 -5.836 1.00 0.00 H new ATOM 0 HA ALA A 98 10.862 9.324 -4.916 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.937 9.174 -7.111 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.161 7.674 -6.179 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.966 7.733 -7.497 1.00 0.00 H new ATOM 1324 N GLY A 99 8.426 10.182 -5.511 1.00 0.00 N ATOM 1325 CA GLY A 99 7.381 11.074 -5.985 1.00 0.00 C ATOM 1326 C GLY A 99 6.421 11.443 -4.852 1.00 0.00 C ATOM 1327 O GLY A 99 6.740 12.282 -4.012 1.00 0.00 O ATOM 0 H GLY A 99 8.400 9.988 -4.510 1.00 0.00 H new ATOM 0 HA2 GLY A 99 7.829 11.979 -6.396 1.00 0.00 H new ATOM 0 HA3 GLY A 99 6.828 10.596 -6.794 1.00 0.00 H new ATOM 1331 N PRO A 100 5.233 10.780 -4.868 1.00 0.00 N ATOM 1332 CA PRO A 100 4.224 11.030 -3.853 1.00 0.00 C ATOM 1333 C PRO A 100 4.610 10.378 -2.524 1.00 0.00 C ATOM 1334 O PRO A 100 4.538 11.013 -1.473 1.00 0.00 O ATOM 1335 CB PRO A 100 2.934 10.474 -4.435 1.00 0.00 C ATOM 1336 CG PRO A 100 3.354 9.524 -5.545 1.00 0.00 C ATOM 1337 CD PRO A 100 4.821 9.780 -5.848 1.00 0.00 C ATOM 0 HA PRO A 100 4.116 12.089 -3.619 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.354 9.953 -3.673 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.304 11.274 -4.823 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.203 8.489 -5.239 1.00 0.00 H new ATOM 0 HG3 PRO A 100 2.747 9.685 -6.436 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.410 8.868 -5.754 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.957 10.144 -6.866 1.00 0.00 H new ATOM 1345 N VAL A 101 5.011 9.118 -2.614 1.00 0.00 N ATOM 1346 CA VAL A 101 5.408 8.373 -1.431 1.00 0.00 C ATOM 1347 C VAL A 101 6.840 8.755 -1.050 1.00 0.00 C ATOM 1348 O VAL A 101 7.781 8.460 -1.785 1.00 0.00 O ATOM 1349 CB VAL A 101 5.235 6.873 -1.676 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.450 6.079 -0.386 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.863 6.571 -2.283 1.00 0.00 C ATOM 0 H VAL A 101 5.069 8.595 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 101 4.768 8.627 -0.586 1.00 0.00 H new ATOM 0 HB VAL A 101 5.995 6.561 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.321 5.016 -0.588 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.458 6.258 -0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.724 6.397 0.362 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.766 5.498 -2.447 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.082 6.906 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.763 7.094 -3.234 1.00 0.00 H new ATOM 1361 N HIS A 102 6.959 9.406 0.097 1.00 0.00 N ATOM 1362 CA HIS A 102 8.260 9.832 0.585 1.00 0.00 C ATOM 1363 C HIS A 102 8.789 8.811 1.594 1.00 0.00 C ATOM 1364 O HIS A 102 9.991 8.556 1.652 1.00 0.00 O ATOM 1365 CB HIS A 102 8.189 11.249 1.157 1.00 0.00 C ATOM 1366 CG HIS A 102 7.596 12.265 0.210 1.00 0.00 C ATOM 1367 ND1 HIS A 102 7.594 13.624 0.473 1.00 0.00 N ATOM 1368 CD2 HIS A 102 6.988 12.106 -1.001 1.00 0.00 C ATOM 1369 CE1 HIS A 102 7.008 14.245 -0.540 1.00 0.00 C ATOM 1370 NE2 HIS A 102 6.632 13.303 -1.452 1.00 0.00 N ATOM 0 H HIS A 102 6.176 9.649 0.703 1.00 0.00 H new ATOM 0 HA HIS A 102 8.967 9.873 -0.243 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.597 11.231 2.072 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.194 11.569 1.434 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.824 11.166 -1.507 1.00 0.00 H new ATOM 0 HE1 HIS A 102 6.855 15.310 -0.628 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.156 13.488 -2.335 1.00 0.00 H new ATOM 1378 N ALA A 103 7.866 8.255 2.364 1.00 0.00 N ATOM 1379 CA ALA A 103 8.224 7.267 3.368 1.00 0.00 C ATOM 1380 C ALA A 103 7.029 6.346 3.620 1.00 0.00 C ATOM 1381 O ALA A 103 6.027 6.766 4.196 1.00 0.00 O ATOM 1382 CB ALA A 103 8.691 7.978 4.639 1.00 0.00 C ATOM 0 H ALA A 103 6.870 8.470 2.313 1.00 0.00 H new ATOM 0 HA ALA A 103 9.050 6.647 3.019 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.960 7.237 5.392 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.560 8.596 4.412 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.887 8.608 5.020 1.00 0.00 H new ATOM 1388 N LEU A 104 7.174 5.106 3.176 1.00 0.00 N ATOM 1389 CA LEU A 104 6.119 4.122 3.346 1.00 0.00 C ATOM 1390 C LEU A 104 6.695 2.875 4.021 1.00 0.00 C ATOM 1391 O LEU A 104 7.662 2.292 3.533 1.00 0.00 O ATOM 1392 CB LEU A 104 5.432 3.836 2.009 1.00 0.00 C ATOM 1393 CG LEU A 104 5.306 2.361 1.622 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.320 1.635 2.539 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.933 2.212 0.145 1.00 0.00 C ATOM 0 H LEU A 104 8.007 4.760 2.699 1.00 0.00 H new ATOM 0 HA LEU A 104 5.339 4.509 4.002 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.433 4.271 2.036 1.00 0.00 H new ATOM 0 HB3 LEU A 104 5.983 4.352 1.222 1.00 0.00 H new ATOM 0 HG LEU A 104 6.279 1.888 1.758 1.00 0.00 H new ATOM 0 HD11 LEU A 104 4.250 0.589 2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.669 1.697 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.338 2.102 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.850 1.154 -0.104 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.979 2.705 -0.041 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.705 2.671 -0.473 1.00 0.00 H new ATOM 1407 N ALA A 105 6.076 2.503 5.131 1.00 0.00 N ATOM 1408 CA ALA A 105 6.515 1.336 5.878 1.00 0.00 C ATOM 1409 C ALA A 105 5.984 0.072 5.198 1.00 0.00 C ATOM 1410 O ALA A 105 4.816 -0.280 5.359 1.00 0.00 O ATOM 1411 CB ALA A 105 6.051 1.455 7.331 1.00 0.00 C ATOM 0 H ALA A 105 5.274 2.989 5.532 1.00 0.00 H new ATOM 0 HA ALA A 105 7.603 1.273 5.888 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.380 0.580 7.891 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.478 2.353 7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.963 1.517 7.362 1.00 0.00 H new ATOM 1417 N ILE A 106 6.867 -0.576 4.452 1.00 0.00 N ATOM 1418 CA ILE A 106 6.502 -1.793 3.748 1.00 0.00 C ATOM 1419 C ILE A 106 6.671 -2.990 4.685 1.00 0.00 C ATOM 1420 O ILE A 106 7.614 -3.038 5.474 1.00 0.00 O ATOM 1421 CB ILE A 106 7.295 -1.916 2.445 1.00 0.00 C ATOM 1422 CG1 ILE A 106 7.133 -0.661 1.584 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.907 -3.186 1.685 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.852 -0.820 0.243 1.00 0.00 C ATOM 0 H ILE A 106 7.834 -0.281 4.320 1.00 0.00 H new ATOM 0 HA ILE A 106 5.453 -1.763 3.455 1.00 0.00 H new ATOM 0 HB ILE A 106 8.352 -2.001 2.695 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.074 -0.468 1.412 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.533 0.203 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.485 -3.249 0.763 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.115 -4.059 2.304 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.844 -3.156 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.721 0.085 -0.350 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.915 -0.989 0.418 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.433 -1.670 -0.296 1.00 0.00 H new ATOM 1436 N GLN A 107 5.742 -3.928 4.569 1.00 0.00 N ATOM 1437 CA GLN A 107 5.776 -5.122 5.396 1.00 0.00 C ATOM 1438 C GLN A 107 5.924 -6.369 4.522 1.00 0.00 C ATOM 1439 O GLN A 107 4.944 -6.861 3.965 1.00 0.00 O ATOM 1440 CB GLN A 107 4.529 -5.214 6.277 1.00 0.00 C ATOM 1441 CG GLN A 107 4.905 -5.509 7.731 1.00 0.00 C ATOM 1442 CD GLN A 107 4.124 -4.611 8.692 1.00 0.00 C ATOM 1443 OE1 GLN A 107 4.619 -4.181 9.721 1.00 0.00 O ATOM 1444 NE2 GLN A 107 2.879 -4.352 8.300 1.00 0.00 N ATOM 0 H GLN A 107 4.961 -3.885 3.914 1.00 0.00 H new ATOM 0 HA GLN A 107 6.642 -5.060 6.055 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.972 -4.278 6.224 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.871 -5.998 5.902 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.701 -6.555 7.958 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.975 -5.355 7.872 1.00 0.00 H new ATOM 0 HE21 GLN A 107 2.527 -4.744 7.427 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.276 -3.761 8.873 1.00 0.00 H new ATOM 1453 N ALA A 108 7.157 -6.846 4.431 1.00 0.00 N ATOM 1454 CA ALA A 108 7.446 -8.027 3.634 1.00 0.00 C ATOM 1455 C ALA A 108 7.506 -9.251 4.549 1.00 0.00 C ATOM 1456 O ALA A 108 8.361 -9.330 5.430 1.00 0.00 O ATOM 1457 CB ALA A 108 8.747 -7.813 2.858 1.00 0.00 C ATOM 0 H ALA A 108 7.967 -6.436 4.896 1.00 0.00 H new ATOM 0 HA ALA A 108 6.656 -8.201 2.903 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.964 -8.698 2.260 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.641 -6.949 2.202 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.564 -7.639 3.558 1.00 0.00 H new ATOM 1463 N LYS A 109 6.589 -10.176 4.309 1.00 0.00 N ATOM 1464 CA LYS A 109 6.527 -11.393 5.100 1.00 0.00 C ATOM 1465 C LYS A 109 6.325 -12.591 4.170 1.00 0.00 C ATOM 1466 O LYS A 109 6.345 -12.444 2.949 1.00 0.00 O ATOM 1467 CB LYS A 109 5.459 -11.271 6.188 1.00 0.00 C ATOM 1468 CG LYS A 109 5.553 -9.921 6.900 1.00 0.00 C ATOM 1469 CD LYS A 109 5.318 -10.076 8.404 1.00 0.00 C ATOM 1470 CE LYS A 109 5.267 -8.712 9.095 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.617 -8.843 10.528 1.00 0.00 N ATOM 0 H LYS A 109 5.882 -10.107 3.577 1.00 0.00 H new ATOM 0 HA LYS A 109 7.468 -11.554 5.627 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.469 -11.384 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.579 -12.077 6.912 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.535 -9.481 6.725 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.817 -9.234 6.482 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.384 -10.610 8.576 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.115 -10.679 8.840 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.958 -8.025 8.607 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.269 -8.285 8.996 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.578 -7.908 10.982 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.942 -9.483 10.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.578 -9.230 10.617 1.00 0.00 H new ATOM 1485 N THR A 110 6.134 -13.750 4.784 1.00 0.00 N ATOM 1486 CA THR A 110 5.928 -14.973 4.026 1.00 0.00 C ATOM 1487 C THR A 110 4.585 -15.607 4.393 1.00 0.00 C ATOM 1488 O THR A 110 3.994 -15.270 5.417 1.00 0.00 O ATOM 1489 CB THR A 110 7.124 -15.893 4.279 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.401 -15.730 5.668 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.397 -15.403 3.586 1.00 0.00 C ATOM 0 H THR A 110 6.118 -13.868 5.797 1.00 0.00 H new ATOM 0 HA THR A 110 5.875 -14.772 2.956 1.00 0.00 H new ATOM 0 HB THR A 110 6.886 -16.899 3.933 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.042 -14.999 5.790 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.215 -16.092 3.798 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.231 -15.357 2.510 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.654 -14.410 3.956 1.00 0.00 H new ATOM 1499 N PRO A 111 4.131 -16.540 3.513 1.00 0.00 N ATOM 1500 CA PRO A 111 2.869 -17.225 3.734 1.00 0.00 C ATOM 1501 C PRO A 111 3.002 -18.278 4.836 1.00 0.00 C ATOM 1502 O PRO A 111 2.030 -18.949 5.179 1.00 0.00 O ATOM 1503 CB PRO A 111 2.503 -17.820 2.384 1.00 0.00 C ATOM 1504 CG PRO A 111 3.790 -17.844 1.576 1.00 0.00 C ATOM 1505 CD PRO A 111 4.805 -16.965 2.290 1.00 0.00 C ATOM 0 HA PRO A 111 2.083 -16.556 4.086 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.095 -18.824 2.498 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.741 -17.220 1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.165 -18.864 1.485 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.613 -17.478 0.565 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.719 -17.516 2.512 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.089 -16.110 1.677 1.00 0.00 H new ATOM 1513 N ALA A 112 4.214 -18.391 5.359 1.00 0.00 N ATOM 1514 CA ALA A 112 4.487 -19.352 6.414 1.00 0.00 C ATOM 1515 C ALA A 112 4.655 -18.611 7.742 1.00 0.00 C ATOM 1516 O ALA A 112 4.516 -19.204 8.810 1.00 0.00 O ATOM 1517 CB ALA A 112 5.722 -20.177 6.047 1.00 0.00 C ATOM 0 H ALA A 112 5.018 -17.833 5.072 1.00 0.00 H new ATOM 0 HA ALA A 112 3.653 -20.045 6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.926 -20.898 6.839 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.541 -20.707 5.112 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.580 -19.515 5.929 1.00 0.00 H new ATOM 1523 N GLN A 113 4.952 -17.324 7.631 1.00 0.00 N ATOM 1524 CA GLN A 113 5.141 -16.495 8.809 1.00 0.00 C ATOM 1525 C GLN A 113 3.869 -15.699 9.107 1.00 0.00 C ATOM 1526 O GLN A 113 3.523 -15.485 10.268 1.00 0.00 O ATOM 1527 CB GLN A 113 6.343 -15.565 8.639 1.00 0.00 C ATOM 1528 CG GLN A 113 7.637 -16.366 8.475 1.00 0.00 C ATOM 1529 CD GLN A 113 8.366 -16.509 9.812 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.806 -15.543 10.416 1.00 0.00 O ATOM 1531 NE2 GLN A 113 8.470 -17.763 10.240 1.00 0.00 N ATOM 0 H GLN A 113 5.066 -16.835 6.743 1.00 0.00 H new ATOM 0 HA GLN A 113 5.346 -17.147 9.658 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.193 -14.927 7.768 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.425 -14.908 9.505 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.409 -17.353 8.073 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.287 -15.871 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.080 -18.525 9.686 1.00 0.00 H new ATOM 0 HE22 GLN A 113 8.940 -17.963 11.123 1.00 0.00 H new ATOM 1540 N TRP A 114 3.207 -15.280 8.038 1.00 0.00 N ATOM 1541 CA TRP A 114 1.981 -14.512 8.170 1.00 0.00 C ATOM 1542 C TRP A 114 0.981 -15.351 8.967 1.00 0.00 C ATOM 1543 O TRP A 114 0.106 -14.807 9.640 1.00 0.00 O ATOM 1544 CB TRP A 114 1.449 -14.089 6.800 1.00 0.00 C ATOM 1545 CG TRP A 114 0.015 -13.555 6.827 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.124 -14.240 6.656 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.389 -12.187 7.045 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.228 -13.418 6.748 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.767 -12.129 6.992 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.384 -11.036 7.280 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.491 -10.944 7.165 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.355 -9.860 7.450 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.742 -9.785 7.399 1.00 0.00 C ATOM 0 H TRP A 114 3.497 -15.458 7.076 1.00 0.00 H new ATOM 0 HA TRP A 114 2.164 -13.583 8.710 1.00 0.00 H new ATOM 0 HB2 TRP A 114 2.104 -13.321 6.389 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.495 -14.943 6.124 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.172 -15.303 6.469 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.203 -13.703 6.654 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.463 -11.058 7.326 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.570 -10.925 7.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.191 -8.946 7.634 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.239 -8.837 7.539 1.00 0.00 H new ATOM 1564 N ARG A 115 1.143 -16.662 8.866 1.00 0.00 N ATOM 1565 CA ARG A 115 0.265 -17.581 9.569 1.00 0.00 C ATOM 1566 C ARG A 115 0.391 -17.384 11.081 1.00 0.00 C ATOM 1567 O ARG A 115 -0.614 -17.315 11.788 1.00 0.00 O ATOM 1568 CB ARG A 115 0.597 -19.034 9.222 1.00 0.00 C ATOM 1569 CG ARG A 115 0.088 -19.394 7.825 1.00 0.00 C ATOM 1570 CD ARG A 115 0.047 -20.911 7.630 1.00 0.00 C ATOM 1571 NE ARG A 115 -1.349 -21.357 7.424 1.00 0.00 N ATOM 1572 CZ ARG A 115 -1.705 -22.627 7.184 1.00 0.00 C ATOM 1573 NH1 ARG A 115 -0.769 -23.583 7.118 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -2.996 -22.940 7.009 1.00 0.00 N ATOM 0 H ARG A 115 1.870 -17.110 8.308 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.757 -17.368 9.255 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.675 -19.186 9.270 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.148 -19.699 9.959 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.909 -18.978 7.679 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.735 -18.944 7.071 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.658 -21.192 6.772 1.00 0.00 H new ATOM 0 HD3 ARG A 115 0.472 -21.410 8.501 1.00 0.00 H new ATOM 0 HE ARG A 115 -2.087 -20.654 7.467 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.214 -23.344 7.250 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.039 -24.549 6.935 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.709 -22.212 7.058 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.266 -23.906 6.826 1.00 0.00 H new ATOM 1588 N GLU A 116 1.634 -17.299 11.533 1.00 0.00 N ATOM 1589 CA GLU A 116 1.904 -17.111 12.949 1.00 0.00 C ATOM 1590 C GLU A 116 1.146 -15.891 13.476 1.00 0.00 C ATOM 1591 O GLU A 116 0.348 -16.006 14.405 1.00 0.00 O ATOM 1592 CB GLU A 116 3.406 -16.978 13.207 1.00 0.00 C ATOM 1593 CG GLU A 116 4.081 -18.351 13.236 1.00 0.00 C ATOM 1594 CD GLU A 116 5.085 -18.444 14.387 1.00 0.00 C ATOM 1595 OE1 GLU A 116 6.159 -17.818 14.255 1.00 0.00 O ATOM 1596 OE2 GLU A 116 4.756 -19.140 15.372 1.00 0.00 O ATOM 0 H GLU A 116 2.465 -17.357 10.944 1.00 0.00 H new ATOM 0 HA GLU A 116 1.553 -17.992 13.487 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.859 -16.362 12.430 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.572 -16.467 14.155 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.326 -19.129 13.344 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.590 -18.530 12.289 1.00 0.00 H new ATOM 1603 N ASN A 117 1.424 -14.751 12.861 1.00 0.00 N ATOM 1604 CA ASN A 117 0.778 -13.511 13.257 1.00 0.00 C ATOM 1605 C ASN A 117 0.313 -12.761 12.007 1.00 0.00 C ATOM 1606 O ASN A 117 0.995 -11.853 11.534 1.00 0.00 O ATOM 1607 CB ASN A 117 1.747 -12.605 14.019 1.00 0.00 C ATOM 1608 CG ASN A 117 0.990 -11.572 14.856 1.00 0.00 C ATOM 1609 OD1 ASN A 117 -0.083 -11.826 15.380 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.604 -10.397 14.952 1.00 0.00 N ATOM 0 H ASN A 117 2.088 -14.660 12.092 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.065 -13.761 13.901 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.381 -13.209 14.668 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.405 -12.096 13.314 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.178 -9.642 15.489 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.501 -10.251 14.489 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.874 -13.180 11.494 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.438 -12.559 10.307 1.00 0.00 C ATOM 1619 C PRO A 118 -2.025 -11.184 10.635 1.00 0.00 C ATOM 1620 O PRO A 118 -2.554 -10.505 9.756 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.479 -13.545 9.804 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.788 -14.461 10.977 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.709 -14.253 12.027 1.00 0.00 C ATOM 0 HA PRO A 118 -0.690 -12.364 9.538 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.377 -13.027 9.466 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.100 -14.113 8.954 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.771 -14.234 11.390 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.810 -15.502 10.653 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.141 -13.978 12.989 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.131 -15.163 12.186 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.913 -10.815 11.903 1.00 0.00 N ATOM 1632 CA GLN A 119 -2.426 -9.534 12.358 1.00 0.00 C ATOM 1633 C GLN A 119 -1.379 -8.438 12.147 1.00 0.00 C ATOM 1634 O GLN A 119 -0.273 -8.521 12.677 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.857 -9.606 13.824 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.570 -8.321 14.249 1.00 0.00 C ATOM 1637 CD GLN A 119 -3.645 -8.213 15.773 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -2.791 -8.698 16.498 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -4.710 -7.552 16.218 1.00 0.00 N ATOM 0 H GLN A 119 -1.474 -11.381 12.629 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.307 -9.286 11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -3.519 -10.459 13.971 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.984 -9.768 14.456 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -3.042 -7.457 13.845 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.576 -8.304 13.830 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -5.387 -7.171 15.557 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -4.850 -7.426 17.220 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.767 -7.436 11.371 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.876 -6.325 11.084 1.00 0.00 C ATOM 1650 C LEU A 120 -1.063 -5.239 12.145 1.00 0.00 C ATOM 1651 O LEU A 120 -2.138 -5.118 12.731 1.00 0.00 O ATOM 1652 CB LEU A 120 -1.084 -5.828 9.651 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.628 -6.775 8.540 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.290 -6.417 7.208 1.00 0.00 C ATOM 1655 CD2 LEU A 120 0.898 -6.801 8.433 1.00 0.00 C ATOM 0 H LEU A 120 -2.686 -7.371 10.933 1.00 0.00 H new ATOM 0 HA LEU A 120 0.164 -6.647 11.138 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.144 -5.619 9.510 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.555 -4.882 9.535 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.950 -7.784 8.798 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.948 -7.106 6.435 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.373 -6.492 7.308 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.021 -5.398 6.930 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.195 -7.482 7.636 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.264 -5.799 8.210 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.323 -7.141 9.377 1.00 0.00 H new