USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 THR OG1 : rot 139:sc= -0.667! USER MOD Set 1.2: A 67 HIS :FLIP no HD1:sc= -0.221 F(o=-9.8,f=-5.7) USER MOD Set 1.3: A 102 HIS : no HD1:sc= -4.83! C(o=-5.7!,f=-16!) 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 51:sc= 0.00557 USER MOD Single : A 74 SER OG : rot 180:sc= -1.72! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl 143:sc= -0.0974 (180deg=-0.14) USER MOD Single : A 81 SER OG : rot 180:sc= 0.289 USER MOD Single : A 84 GLN : amide:sc= -1.85 K(o=-1.8,f=-4.8!) USER MOD Single : A 86 HIS : no HD1:sc= -0.0527 X(o=-0.053,f=0) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -2.76 F(o=-4.6!,f=-2.8) USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 107 GLN :FLIP amide:sc= -2.8 F(o=-3.4!,f=-2.8) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -140:sc= -0.922 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 117 ASN : amide:sc= -0.824 K(o=-0.82,f=-5.5!) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.096 6.661 -6.131 1.00 0.00 N ATOM 302 CA VAL A 32 -1.717 6.244 -5.945 1.00 0.00 C ATOM 303 C VAL A 32 -1.686 4.935 -5.153 1.00 0.00 C ATOM 304 O VAL A 32 -1.235 3.909 -5.660 1.00 0.00 O ATOM 305 CB VAL A 32 -0.916 7.365 -5.278 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.506 6.905 -4.953 1.00 0.00 C ATOM 307 CG2 VAL A 32 -0.900 8.621 -6.152 1.00 0.00 C ATOM 0 HA VAL A 32 -1.244 6.053 -6.908 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.409 7.616 -4.339 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.053 7.721 -4.480 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.467 6.053 -4.274 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.013 6.613 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.325 9.402 -5.656 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.443 8.389 -7.114 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.921 8.967 -6.310 1.00 0.00 H new ATOM 317 N GLU A 33 -2.172 5.014 -3.923 1.00 0.00 N ATOM 318 CA GLU A 33 -2.206 3.848 -3.056 1.00 0.00 C ATOM 319 C GLU A 33 -2.748 2.637 -3.817 1.00 0.00 C ATOM 320 O GLU A 33 -2.080 1.607 -3.908 1.00 0.00 O ATOM 321 CB GLU A 33 -3.036 4.123 -1.800 1.00 0.00 C ATOM 322 CG GLU A 33 -2.841 3.017 -0.761 1.00 0.00 C ATOM 323 CD GLU A 33 -4.133 2.764 0.019 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.362 3.513 0.994 1.00 0.00 O ATOM 325 OE2 GLU A 33 -4.861 1.829 -0.376 1.00 0.00 O ATOM 0 H GLU A 33 -2.545 5.867 -3.506 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.188 3.626 -2.737 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.748 5.083 -1.372 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.091 4.196 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -2.525 2.099 -1.257 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.045 3.297 -0.072 1.00 0.00 H new ATOM 332 N ALA A 34 -3.953 2.799 -4.343 1.00 0.00 N ATOM 333 CA ALA A 34 -4.592 1.731 -5.093 1.00 0.00 C ATOM 334 C ALA A 34 -3.579 1.115 -6.060 1.00 0.00 C ATOM 335 O ALA A 34 -3.432 -0.105 -6.117 1.00 0.00 O ATOM 336 CB ALA A 34 -5.826 2.280 -5.813 1.00 0.00 C ATOM 0 H ALA A 34 -4.504 3.654 -4.265 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.930 0.941 -4.423 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.305 1.479 -6.376 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.527 2.679 -5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.525 3.074 -6.497 1.00 0.00 H new ATOM 342 N ALA A 35 -2.905 1.987 -6.795 1.00 0.00 N ATOM 343 CA ALA A 35 -1.909 1.545 -7.756 1.00 0.00 C ATOM 344 C ALA A 35 -0.841 0.720 -7.035 1.00 0.00 C ATOM 345 O ALA A 35 -0.541 -0.403 -7.439 1.00 0.00 O ATOM 346 CB ALA A 35 -1.320 2.759 -8.477 1.00 0.00 C ATOM 0 H ALA A 35 -3.029 2.998 -6.744 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.364 0.906 -8.513 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.573 2.427 -9.198 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.114 3.294 -8.998 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.853 3.423 -7.750 1.00 0.00 H new ATOM 352 N ILE A 36 -0.297 1.309 -5.980 1.00 0.00 N ATOM 353 CA ILE A 36 0.731 0.642 -5.199 1.00 0.00 C ATOM 354 C ILE A 36 0.350 -0.828 -5.011 1.00 0.00 C ATOM 355 O ILE A 36 1.086 -1.721 -5.425 1.00 0.00 O ATOM 356 CB ILE A 36 0.974 1.388 -3.885 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.426 2.826 -4.146 1.00 0.00 C ATOM 358 CG2 ILE A 36 1.961 0.628 -2.998 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.881 3.501 -2.851 1.00 0.00 C ATOM 0 H ILE A 36 -0.549 2.240 -5.648 1.00 0.00 H new ATOM 0 HA ILE A 36 1.683 0.659 -5.729 1.00 0.00 H new ATOM 0 HB ILE A 36 0.030 1.442 -3.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.242 2.829 -4.868 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.607 3.394 -4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.116 1.180 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.560 -0.359 -2.770 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.912 0.521 -3.520 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.197 4.522 -3.065 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.055 3.518 -2.140 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.716 2.945 -2.424 1.00 0.00 H new ATOM 371 N ARG A 37 -0.800 -1.032 -4.385 1.00 0.00 N ATOM 372 CA ARG A 37 -1.287 -2.378 -4.137 1.00 0.00 C ATOM 373 C ARG A 37 -1.578 -3.090 -5.460 1.00 0.00 C ATOM 374 O ARG A 37 -0.950 -4.099 -5.776 1.00 0.00 O ATOM 375 CB ARG A 37 -2.560 -2.355 -3.288 1.00 0.00 C ATOM 376 CG ARG A 37 -2.880 -3.748 -2.741 1.00 0.00 C ATOM 377 CD ARG A 37 -4.346 -4.109 -2.988 1.00 0.00 C ATOM 378 NE ARG A 37 -4.750 -5.220 -2.096 1.00 0.00 N ATOM 379 CZ ARG A 37 -6.022 -5.556 -1.844 1.00 0.00 C ATOM 380 NH1 ARG A 37 -7.022 -4.869 -2.413 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.295 -6.578 -1.021 1.00 0.00 N ATOM 0 H ARG A 37 -1.408 -0.288 -4.042 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.510 -2.917 -3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.437 -1.655 -2.461 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.396 -1.996 -3.889 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.235 -4.487 -3.216 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.669 -3.781 -1.672 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.979 -3.239 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.488 -4.398 -4.029 1.00 0.00 H new ATOM 0 HE ARG A 37 -4.014 -5.763 -1.645 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -6.815 -4.090 -3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -7.991 -5.125 -2.221 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -5.534 -7.100 -0.586 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -7.264 -6.834 -0.829 1.00 0.00 H new ATOM 395 N ALA A 38 -2.529 -2.536 -6.197 1.00 0.00 N ATOM 396 CA ALA A 38 -2.910 -3.105 -7.478 1.00 0.00 C ATOM 397 C ALA A 38 -1.655 -3.579 -8.214 1.00 0.00 C ATOM 398 O ALA A 38 -1.683 -4.597 -8.903 1.00 0.00 O ATOM 399 CB ALA A 38 -3.702 -2.071 -8.281 1.00 0.00 C ATOM 0 H ALA A 38 -3.047 -1.699 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.556 -3.971 -7.336 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.988 -2.498 -9.242 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.598 -1.790 -7.728 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.085 -1.188 -8.446 1.00 0.00 H new ATOM 405 N LYS A 39 -0.585 -2.817 -8.043 1.00 0.00 N ATOM 406 CA LYS A 39 0.678 -3.146 -8.683 1.00 0.00 C ATOM 407 C LYS A 39 1.251 -4.415 -8.048 1.00 0.00 C ATOM 408 O LYS A 39 1.264 -5.475 -8.672 1.00 0.00 O ATOM 409 CB LYS A 39 1.631 -1.950 -8.635 1.00 0.00 C ATOM 410 CG LYS A 39 1.227 -0.886 -9.658 1.00 0.00 C ATOM 411 CD LYS A 39 2.138 -0.933 -10.886 1.00 0.00 C ATOM 412 CE LYS A 39 1.554 -0.106 -12.033 1.00 0.00 C ATOM 413 NZ LYS A 39 2.526 0.916 -12.481 1.00 0.00 N ATOM 0 H LYS A 39 -0.566 -1.973 -7.471 1.00 0.00 H new ATOM 0 HA LYS A 39 0.525 -3.359 -9.741 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.628 -1.518 -7.634 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.649 -2.284 -8.835 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.192 -1.043 -9.962 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.278 0.102 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.126 -0.553 -10.625 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.268 -1.966 -11.207 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.295 -0.760 -12.866 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.632 0.377 -11.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.114 1.469 -13.260 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.753 1.550 -11.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.395 0.448 -12.810 1.00 0.00 H new ATOM 427 N LEU A 40 1.710 -4.265 -6.814 1.00 0.00 N ATOM 428 CA LEU A 40 2.283 -5.385 -6.087 1.00 0.00 C ATOM 429 C LEU A 40 1.362 -6.600 -6.222 1.00 0.00 C ATOM 430 O LEU A 40 1.811 -7.739 -6.112 1.00 0.00 O ATOM 431 CB LEU A 40 2.573 -4.992 -4.638 1.00 0.00 C ATOM 432 CG LEU A 40 3.545 -3.826 -4.441 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.507 -3.318 -2.998 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.960 -4.213 -4.875 1.00 0.00 C ATOM 0 H LEU A 40 1.697 -3.385 -6.299 1.00 0.00 H new ATOM 0 HA LEU A 40 3.246 -5.664 -6.516 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.629 -4.738 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.972 -5.863 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 40 3.225 -3.003 -5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.207 -2.490 -2.885 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.500 -2.977 -2.759 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.788 -4.125 -2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.631 -3.367 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.304 -5.059 -4.280 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.954 -4.489 -5.929 1.00 0.00 H new ATOM 446 N GLU A 41 0.090 -6.314 -6.459 1.00 0.00 N ATOM 447 CA GLU A 41 -0.898 -7.368 -6.610 1.00 0.00 C ATOM 448 C GLU A 41 -0.589 -8.213 -7.848 1.00 0.00 C ATOM 449 O GLU A 41 -0.710 -9.436 -7.816 1.00 0.00 O ATOM 450 CB GLU A 41 -2.312 -6.788 -6.681 1.00 0.00 C ATOM 451 CG GLU A 41 -2.913 -6.635 -5.283 1.00 0.00 C ATOM 452 CD GLU A 41 -4.441 -6.571 -5.346 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.945 -5.563 -5.887 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.070 -7.532 -4.853 1.00 0.00 O ATOM 0 H GLU A 41 -0.279 -5.367 -6.550 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.849 -8.013 -5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.286 -5.818 -7.178 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.946 -7.438 -7.284 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.606 -7.473 -4.658 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.527 -5.730 -4.814 1.00 0.00 H new ATOM 461 N GLN A 42 -0.195 -7.525 -8.910 1.00 0.00 N ATOM 462 CA GLN A 42 0.133 -8.197 -10.156 1.00 0.00 C ATOM 463 C GLN A 42 1.650 -8.240 -10.353 1.00 0.00 C ATOM 464 O GLN A 42 2.139 -8.845 -11.306 1.00 0.00 O ATOM 465 CB GLN A 42 -0.555 -7.517 -11.342 1.00 0.00 C ATOM 466 CG GLN A 42 -0.102 -6.062 -11.479 1.00 0.00 C ATOM 467 CD GLN A 42 -0.608 -5.451 -12.787 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.717 -4.949 -12.880 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.263 -5.520 -13.789 1.00 0.00 N ATOM 0 H GLN A 42 -0.096 -6.510 -8.933 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.235 -9.221 -10.102 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.327 -8.060 -12.259 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.636 -7.554 -11.210 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.473 -5.481 -10.635 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.986 -6.012 -11.447 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.175 -5.954 -13.643 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.020 -5.139 -14.703 1.00 0.00 H new ATOM 478 N ALA A 43 2.352 -7.589 -9.437 1.00 0.00 N ATOM 479 CA ALA A 43 3.803 -7.546 -9.498 1.00 0.00 C ATOM 480 C ALA A 43 4.381 -8.546 -8.495 1.00 0.00 C ATOM 481 O ALA A 43 5.597 -8.720 -8.417 1.00 0.00 O ATOM 482 CB ALA A 43 4.282 -6.116 -9.238 1.00 0.00 C ATOM 0 H ALA A 43 1.943 -7.087 -8.649 1.00 0.00 H new ATOM 0 HA ALA A 43 4.155 -7.833 -10.489 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.371 -6.083 -9.284 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.867 -5.450 -9.994 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.950 -5.795 -8.251 1.00 0.00 H new ATOM 488 N LEU A 44 3.484 -9.178 -7.754 1.00 0.00 N ATOM 489 CA LEU A 44 3.890 -10.156 -6.759 1.00 0.00 C ATOM 490 C LEU A 44 2.779 -11.195 -6.589 1.00 0.00 C ATOM 491 O LEU A 44 3.046 -12.396 -6.569 1.00 0.00 O ATOM 492 CB LEU A 44 4.287 -9.462 -5.455 1.00 0.00 C ATOM 493 CG LEU A 44 5.485 -8.513 -5.538 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.548 -7.602 -4.311 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.787 -9.290 -5.743 1.00 0.00 C ATOM 0 H LEU A 44 2.477 -9.032 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 44 4.780 -10.691 -7.092 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.428 -8.900 -5.090 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.506 -10.228 -4.711 1.00 0.00 H new ATOM 0 HG LEU A 44 5.353 -7.871 -6.409 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.408 -6.938 -4.395 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.636 -7.009 -4.251 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.645 -8.210 -3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.622 -8.592 -5.799 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.939 -9.972 -4.907 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.728 -9.860 -6.670 1.00 0.00 H new ATOM 507 N SER A 45 1.558 -10.695 -6.471 1.00 0.00 N ATOM 508 CA SER A 45 0.406 -11.565 -6.303 1.00 0.00 C ATOM 509 C SER A 45 0.578 -12.425 -5.049 1.00 0.00 C ATOM 510 O SER A 45 0.590 -13.652 -5.131 1.00 0.00 O ATOM 511 CB SER A 45 0.204 -12.454 -7.532 1.00 0.00 C ATOM 512 OG SER A 45 -1.168 -12.539 -7.909 1.00 0.00 O ATOM 0 H SER A 45 1.341 -9.698 -6.488 1.00 0.00 H new ATOM 0 HA SER A 45 -0.480 -10.941 -6.189 1.00 0.00 H new ATOM 0 HB2 SER A 45 0.785 -12.059 -8.365 1.00 0.00 H new ATOM 0 HB3 SER A 45 0.585 -13.454 -7.323 1.00 0.00 H new ATOM 0 HG SER A 45 -1.542 -11.637 -7.987 1.00 0.00 H new ATOM 518 N PRO A 46 0.711 -11.729 -3.889 1.00 0.00 N ATOM 519 CA PRO A 46 0.881 -12.415 -2.619 1.00 0.00 C ATOM 520 C PRO A 46 -0.439 -13.024 -2.144 1.00 0.00 C ATOM 521 O PRO A 46 -1.459 -12.911 -2.822 1.00 0.00 O ATOM 522 CB PRO A 46 1.424 -11.359 -1.671 1.00 0.00 C ATOM 523 CG PRO A 46 1.100 -10.018 -2.310 1.00 0.00 C ATOM 524 CD PRO A 46 0.701 -10.275 -3.754 1.00 0.00 C ATOM 0 HA PRO A 46 1.566 -13.260 -2.686 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.963 -11.444 -0.687 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.499 -11.475 -1.531 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.291 -9.524 -1.772 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.964 -9.355 -2.265 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.285 -9.864 -3.971 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.401 -9.808 -4.447 1.00 0.00 H new ATOM 532 N GLU A 47 -0.378 -13.656 -0.981 1.00 0.00 N ATOM 533 CA GLU A 47 -1.556 -14.284 -0.407 1.00 0.00 C ATOM 534 C GLU A 47 -2.340 -13.272 0.432 1.00 0.00 C ATOM 535 O GLU A 47 -3.530 -13.457 0.681 1.00 0.00 O ATOM 536 CB GLU A 47 -1.174 -15.508 0.427 1.00 0.00 C ATOM 537 CG GLU A 47 -0.357 -16.502 -0.401 1.00 0.00 C ATOM 538 CD GLU A 47 -1.213 -17.698 -0.823 1.00 0.00 C ATOM 539 OE1 GLU A 47 -1.862 -17.585 -1.885 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.199 -18.698 -0.073 1.00 0.00 O ATOM 0 H GLU A 47 0.469 -13.747 -0.420 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.195 -14.626 -1.221 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.598 -15.194 1.297 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.075 -15.994 0.800 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.040 -16.004 -1.286 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.498 -16.849 0.180 1.00 0.00 H new ATOM 547 N VAL A 48 -1.641 -12.225 0.844 1.00 0.00 N ATOM 548 CA VAL A 48 -2.257 -11.184 1.650 1.00 0.00 C ATOM 549 C VAL A 48 -1.568 -9.849 1.363 1.00 0.00 C ATOM 550 O VAL A 48 -0.442 -9.620 1.803 1.00 0.00 O ATOM 551 CB VAL A 48 -2.215 -11.573 3.129 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.033 -10.597 3.976 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.695 -13.011 3.331 1.00 0.00 C ATOM 0 H VAL A 48 -0.654 -12.075 0.635 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.309 -11.070 1.388 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.178 -11.516 3.461 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.986 -10.896 5.023 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.626 -9.592 3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.070 -10.606 3.642 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.655 -13.262 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.720 -13.106 2.974 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.052 -13.691 2.772 1.00 0.00 H new ATOM 563 N LEU A 49 -2.272 -9.001 0.627 1.00 0.00 N ATOM 564 CA LEU A 49 -1.742 -7.695 0.277 1.00 0.00 C ATOM 565 C LEU A 49 -2.663 -6.609 0.838 1.00 0.00 C ATOM 566 O LEU A 49 -3.693 -6.295 0.243 1.00 0.00 O ATOM 567 CB LEU A 49 -1.522 -7.594 -1.234 1.00 0.00 C ATOM 568 CG LEU A 49 -0.169 -7.033 -1.678 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.003 -7.141 -3.195 1.00 0.00 C ATOM 570 CD2 LEU A 49 0.020 -5.599 -1.182 1.00 0.00 C ATOM 0 H LEU A 49 -3.205 -9.194 0.264 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.761 -7.548 0.730 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.640 -8.588 -1.666 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.309 -6.968 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 49 0.617 -7.636 -1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.966 -6.736 -3.485 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.063 -8.187 -3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.794 -6.577 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.989 -5.225 -1.511 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.770 -4.967 -1.587 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.024 -5.582 -0.093 1.00 0.00 H new ATOM 582 N GLU A 50 -2.258 -6.065 1.976 1.00 0.00 N ATOM 583 CA GLU A 50 -3.033 -5.021 2.624 1.00 0.00 C ATOM 584 C GLU A 50 -2.333 -3.669 2.473 1.00 0.00 C ATOM 585 O GLU A 50 -1.111 -3.583 2.585 1.00 0.00 O ATOM 586 CB GLU A 50 -3.275 -5.352 4.098 1.00 0.00 C ATOM 587 CG GLU A 50 -4.345 -6.435 4.249 1.00 0.00 C ATOM 588 CD GLU A 50 -5.743 -5.818 4.325 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.150 -5.208 3.313 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.373 -5.971 5.394 1.00 0.00 O ATOM 0 H GLU A 50 -1.403 -6.328 2.466 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.005 -4.961 2.135 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.345 -5.688 4.556 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.585 -4.453 4.630 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.293 -7.123 3.405 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.152 -7.019 5.149 1.00 0.00 H new ATOM 597 N LEU A 51 -3.138 -2.647 2.222 1.00 0.00 N ATOM 598 CA LEU A 51 -2.611 -1.303 2.055 1.00 0.00 C ATOM 599 C LEU A 51 -3.678 -0.286 2.465 1.00 0.00 C ATOM 600 O LEU A 51 -4.846 -0.427 2.104 1.00 0.00 O ATOM 601 CB LEU A 51 -2.089 -1.106 0.630 1.00 0.00 C ATOM 602 CG LEU A 51 -1.456 0.255 0.330 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.366 0.590 1.351 1.00 0.00 C ATOM 604 CD2 LEU A 51 -0.933 0.311 -1.106 1.00 0.00 C ATOM 0 H LEU A 51 -4.151 -2.722 2.130 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.753 -1.146 2.709 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.351 -1.881 0.424 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -2.916 -1.261 -0.063 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.228 1.019 0.422 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.067 1.562 1.115 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.800 0.619 2.350 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.412 -0.172 1.316 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.488 1.288 -1.293 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.180 -0.464 -1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -1.758 0.149 -1.800 1.00 0.00 H new ATOM 616 N ARG A 52 -3.240 0.715 3.214 1.00 0.00 N ATOM 617 CA ARG A 52 -4.143 1.754 3.677 1.00 0.00 C ATOM 618 C ARG A 52 -3.366 3.038 3.976 1.00 0.00 C ATOM 619 O ARG A 52 -2.156 2.999 4.191 1.00 0.00 O ATOM 620 CB ARG A 52 -4.890 1.314 4.937 1.00 0.00 C ATOM 621 CG ARG A 52 -6.186 0.583 4.579 1.00 0.00 C ATOM 622 CD ARG A 52 -6.037 -0.927 4.779 1.00 0.00 C ATOM 623 NE ARG A 52 -5.999 -1.245 6.224 1.00 0.00 N ATOM 624 CZ ARG A 52 -5.991 -2.489 6.720 1.00 0.00 C ATOM 625 NH1 ARG A 52 -6.020 -3.541 5.890 1.00 0.00 N ATOM 626 NH2 ARG A 52 -5.956 -2.683 8.045 1.00 0.00 N ATOM 0 H ARG A 52 -2.271 0.828 3.512 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.868 1.940 2.885 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.252 0.661 5.533 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.117 2.185 5.552 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.002 0.957 5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.451 0.792 3.543 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.869 -1.449 4.305 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -5.124 -1.278 4.297 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.978 -0.467 6.884 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.048 -3.394 4.881 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -6.014 -4.489 6.267 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.935 -1.883 8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.950 -3.631 8.422 1.00 0.00 H new ATOM 794 N THR A 66 1.908 10.908 2.286 1.00 0.00 N ATOM 795 CA THR A 66 3.303 10.516 2.173 1.00 0.00 C ATOM 796 C THR A 66 3.577 9.270 3.018 1.00 0.00 C ATOM 797 O THR A 66 4.394 8.430 2.644 1.00 0.00 O ATOM 798 CB THR A 66 4.165 11.718 2.564 1.00 0.00 C ATOM 799 OG1 THR A 66 4.223 11.654 3.987 1.00 0.00 O ATOM 800 CG2 THR A 66 3.473 13.052 2.279 1.00 0.00 C ATOM 0 HA THR A 66 3.554 10.237 1.150 1.00 0.00 H new ATOM 0 HB THR A 66 5.111 11.678 2.024 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.133 11.860 4.287 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.128 13.872 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.254 13.128 1.214 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.543 13.108 2.845 1.00 0.00 H new ATOM 808 N HIS A 67 2.878 9.190 4.141 1.00 0.00 N ATOM 809 CA HIS A 67 3.036 8.061 5.041 1.00 0.00 C ATOM 810 C HIS A 67 1.991 6.993 4.714 1.00 0.00 C ATOM 811 O HIS A 67 0.796 7.282 4.671 1.00 0.00 O ATOM 812 CB HIS A 67 2.980 8.518 6.500 1.00 0.00 C ATOM 813 CG HIS A 67 4.312 8.964 7.056 1.00 0.00 C ATOM 814 ND1 HIS A 67 5.450 9.371 6.424 1.00 0.00 N flip ATOM 815 CD2 HIS A 67 4.576 9.023 8.413 1.00 0.00 C flip ATOM 816 CE1 HIS A 67 6.359 9.664 7.345 1.00 0.00 C flip ATOM 817 NE2 HIS A 67 5.820 9.449 8.579 1.00 0.00 N flip ATOM 0 H HIS A 67 2.201 9.889 4.448 1.00 0.00 H new ATOM 0 HA HIS A 67 4.019 7.613 4.898 1.00 0.00 H new ATOM 0 HB2 HIS A 67 2.269 9.340 6.586 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.598 7.701 7.112 1.00 0.00 H new ATOM 0 HD2 HIS A 67 3.886 8.766 9.203 1.00 0.00 H new ATOM 0 HE1 HIS A 67 7.361 10.015 7.149 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.291 9.591 9.472 1.00 0.00 H new ATOM 825 N PHE A 68 2.479 5.782 4.492 1.00 0.00 N ATOM 826 CA PHE A 68 1.602 4.669 4.170 1.00 0.00 C ATOM 827 C PHE A 68 2.045 3.395 4.891 1.00 0.00 C ATOM 828 O PHE A 68 3.040 3.401 5.615 1.00 0.00 O ATOM 829 CB PHE A 68 1.699 4.446 2.659 1.00 0.00 C ATOM 830 CG PHE A 68 0.650 5.210 1.849 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.665 4.879 1.955 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.033 6.219 1.022 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.638 5.588 1.203 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.059 6.928 0.269 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.256 6.597 0.376 1.00 0.00 C ATOM 0 H PHE A 68 3.471 5.547 4.529 1.00 0.00 H new ATOM 0 HA PHE A 68 0.583 4.896 4.484 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.692 4.744 2.321 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.598 3.381 2.452 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.969 4.077 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.077 6.481 0.938 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.682 5.326 1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.363 7.730 -0.388 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.997 7.136 -0.196 1.00 0.00 H new ATOM 845 N ARG A 69 1.286 2.332 4.669 1.00 0.00 N ATOM 846 CA ARG A 69 1.588 1.053 5.289 1.00 0.00 C ATOM 847 C ARG A 69 1.050 -0.093 4.430 1.00 0.00 C ATOM 848 O ARG A 69 -0.161 -0.273 4.315 1.00 0.00 O ATOM 849 CB ARG A 69 0.977 0.962 6.689 1.00 0.00 C ATOM 850 CG ARG A 69 2.029 0.548 7.720 1.00 0.00 C ATOM 851 CD ARG A 69 1.838 1.309 9.033 1.00 0.00 C ATOM 852 NE ARG A 69 3.153 1.700 9.588 1.00 0.00 N ATOM 853 CZ ARG A 69 3.318 2.605 10.563 1.00 0.00 C ATOM 854 NH1 ARG A 69 2.253 3.217 11.096 1.00 0.00 N ATOM 855 NH2 ARG A 69 4.549 2.898 11.004 1.00 0.00 N ATOM 0 H ARG A 69 0.462 2.330 4.068 1.00 0.00 H new ATOM 0 HA ARG A 69 2.672 0.972 5.372 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.550 1.926 6.967 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.160 0.240 6.687 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.961 -0.524 7.904 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.026 0.741 7.325 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.228 2.196 8.863 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.303 0.686 9.749 1.00 0.00 H new ATOM 0 HE ARG A 69 3.986 1.253 9.205 1.00 0.00 H new ATOM 0 HH11 ARG A 69 1.316 2.995 10.760 1.00 0.00 H new ATOM 0 HH12 ARG A 69 2.379 3.906 11.838 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.361 2.432 10.598 1.00 0.00 H new ATOM 0 HH22 ARG A 69 4.674 3.587 11.746 1.00 0.00 H new ATOM 869 N VAL A 70 1.978 -0.839 3.848 1.00 0.00 N ATOM 870 CA VAL A 70 1.613 -1.963 3.002 1.00 0.00 C ATOM 871 C VAL A 70 2.025 -3.267 3.689 1.00 0.00 C ATOM 872 O VAL A 70 3.034 -3.311 4.391 1.00 0.00 O ATOM 873 CB VAL A 70 2.232 -1.797 1.614 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.579 -2.517 1.524 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.276 -2.286 0.524 1.00 0.00 C ATOM 0 H VAL A 70 2.982 -0.687 3.946 1.00 0.00 H new ATOM 0 HA VAL A 70 0.533 -1.998 2.858 1.00 0.00 H new ATOM 0 HB VAL A 70 2.409 -0.734 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.997 -2.383 0.526 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.264 -2.102 2.263 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.437 -3.580 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.741 -2.156 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 70 1.053 -3.341 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.352 -1.709 0.565 1.00 0.00 H new ATOM 885 N ALA A 71 1.223 -4.297 3.462 1.00 0.00 N ATOM 886 CA ALA A 71 1.492 -5.599 4.049 1.00 0.00 C ATOM 887 C ALA A 71 1.428 -6.669 2.958 1.00 0.00 C ATOM 888 O ALA A 71 0.344 -7.113 2.582 1.00 0.00 O ATOM 889 CB ALA A 71 0.500 -5.862 5.183 1.00 0.00 C ATOM 0 H ALA A 71 0.387 -4.256 2.880 1.00 0.00 H new ATOM 0 HA ALA A 71 2.493 -5.627 4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.701 -6.838 5.623 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.607 -5.091 5.946 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.516 -5.844 4.789 1.00 0.00 H new ATOM 895 N VAL A 72 2.603 -7.053 2.480 1.00 0.00 N ATOM 896 CA VAL A 72 2.693 -8.063 1.440 1.00 0.00 C ATOM 897 C VAL A 72 2.949 -9.428 2.081 1.00 0.00 C ATOM 898 O VAL A 72 3.721 -9.536 3.033 1.00 0.00 O ATOM 899 CB VAL A 72 3.766 -7.671 0.421 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.160 -7.712 1.050 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.697 -8.563 -0.819 1.00 0.00 C ATOM 0 H VAL A 72 3.500 -6.683 2.794 1.00 0.00 H new ATOM 0 HA VAL A 72 1.753 -8.132 0.893 1.00 0.00 H new ATOM 0 HB VAL A 72 3.571 -6.646 0.106 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.904 -7.429 0.305 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.202 -7.015 1.887 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.369 -8.721 1.407 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.470 -8.263 -1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.854 -9.602 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.718 -8.461 -1.287 1.00 0.00 H new ATOM 911 N VAL A 73 2.287 -10.437 1.534 1.00 0.00 N ATOM 912 CA VAL A 73 2.433 -11.791 2.041 1.00 0.00 C ATOM 913 C VAL A 73 2.643 -12.750 0.868 1.00 0.00 C ATOM 914 O VAL A 73 1.682 -13.305 0.336 1.00 0.00 O ATOM 915 CB VAL A 73 1.226 -12.159 2.906 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.313 -13.611 3.379 1.00 0.00 C ATOM 917 CG2 VAL A 73 1.091 -11.203 4.093 1.00 0.00 C ATOM 0 H VAL A 73 1.648 -10.344 0.744 1.00 0.00 H new ATOM 0 HA VAL A 73 3.311 -11.866 2.683 1.00 0.00 H new ATOM 0 HB VAL A 73 0.331 -12.060 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.443 -13.847 3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.338 -14.274 2.514 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.220 -13.748 3.968 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.225 -11.486 4.692 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.990 -11.256 4.707 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.961 -10.185 3.727 1.00 0.00 H new ATOM 927 N SER A 74 3.904 -12.917 0.499 1.00 0.00 N ATOM 928 CA SER A 74 4.252 -13.800 -0.601 1.00 0.00 C ATOM 929 C SER A 74 5.469 -14.648 -0.227 1.00 0.00 C ATOM 930 O SER A 74 6.150 -14.364 0.757 1.00 0.00 O ATOM 931 CB SER A 74 4.531 -13.005 -1.878 1.00 0.00 C ATOM 932 OG SER A 74 3.666 -13.385 -2.944 1.00 0.00 O ATOM 0 H SER A 74 4.698 -12.455 0.943 1.00 0.00 H new ATOM 0 HA SER A 74 3.404 -14.458 -0.793 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.411 -11.941 -1.676 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.567 -13.157 -2.180 1.00 0.00 H new ATOM 0 HG SER A 74 3.875 -12.853 -3.740 1.00 0.00 H new ATOM 938 N SER A 75 5.705 -15.674 -1.032 1.00 0.00 N ATOM 939 CA SER A 75 6.828 -16.565 -0.798 1.00 0.00 C ATOM 940 C SER A 75 8.105 -15.966 -1.392 1.00 0.00 C ATOM 941 O SER A 75 9.203 -16.461 -1.140 1.00 0.00 O ATOM 942 CB SER A 75 6.566 -17.950 -1.393 1.00 0.00 C ATOM 943 OG SER A 75 6.822 -17.987 -2.794 1.00 0.00 O ATOM 0 H SER A 75 5.138 -15.908 -1.847 1.00 0.00 H new ATOM 0 HA SER A 75 6.954 -16.679 0.279 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.194 -18.685 -0.890 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.531 -18.235 -1.206 1.00 0.00 H new ATOM 0 HG SER A 75 6.645 -18.888 -3.135 1.00 0.00 H new ATOM 949 N ARG A 76 7.919 -14.909 -2.168 1.00 0.00 N ATOM 950 CA ARG A 76 9.042 -14.237 -2.800 1.00 0.00 C ATOM 951 C ARG A 76 10.145 -13.970 -1.774 1.00 0.00 C ATOM 952 O ARG A 76 11.324 -14.184 -2.054 1.00 0.00 O ATOM 953 CB ARG A 76 8.608 -12.912 -3.429 1.00 0.00 C ATOM 954 CG ARG A 76 7.820 -13.150 -4.719 1.00 0.00 C ATOM 955 CD ARG A 76 8.726 -13.031 -5.945 1.00 0.00 C ATOM 956 NE ARG A 76 9.890 -13.935 -5.804 1.00 0.00 N ATOM 957 CZ ARG A 76 9.839 -15.261 -5.989 1.00 0.00 C ATOM 958 NH1 ARG A 76 8.681 -15.846 -6.324 1.00 0.00 N ATOM 959 NH2 ARG A 76 10.945 -16.002 -5.839 1.00 0.00 N ATOM 0 H ARG A 76 7.007 -14.501 -2.374 1.00 0.00 H new ATOM 0 HA ARG A 76 9.421 -14.891 -3.585 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.995 -12.353 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.486 -12.302 -3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 76 7.365 -14.140 -4.694 1.00 0.00 H new ATOM 0 HG3 ARG A 76 7.007 -12.427 -4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 76 8.167 -13.282 -6.846 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.066 -12.002 -6.058 1.00 0.00 H new ATOM 0 HE ARG A 76 10.787 -13.522 -5.550 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.839 -15.282 -6.438 1.00 0.00 H new ATOM 0 HH12 ARG A 76 8.642 -16.855 -6.465 1.00 0.00 H new ATOM 0 HH21 ARG A 76 11.826 -15.557 -5.584 1.00 0.00 H new ATOM 0 HH22 ARG A 76 10.906 -17.011 -5.980 1.00 0.00 H new ATOM 973 N PHE A 77 9.724 -13.504 -0.607 1.00 0.00 N ATOM 974 CA PHE A 77 10.661 -13.205 0.462 1.00 0.00 C ATOM 975 C PHE A 77 10.846 -14.412 1.383 1.00 0.00 C ATOM 976 O PHE A 77 10.819 -14.275 2.606 1.00 0.00 O ATOM 977 CB PHE A 77 10.066 -12.049 1.269 1.00 0.00 C ATOM 978 CG PHE A 77 9.325 -11.015 0.420 1.00 0.00 C ATOM 979 CD1 PHE A 77 10.007 -10.264 -0.486 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.983 -10.846 0.571 1.00 0.00 C ATOM 981 CE1 PHE A 77 9.319 -9.304 -1.274 1.00 0.00 C ATOM 982 CE2 PHE A 77 7.295 -9.886 -0.218 1.00 0.00 C ATOM 983 CZ PHE A 77 7.977 -9.135 -1.123 1.00 0.00 C ATOM 0 H PHE A 77 8.746 -13.326 -0.379 1.00 0.00 H new ATOM 0 HA PHE A 77 11.634 -12.950 0.042 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.379 -12.454 2.012 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.867 -11.550 1.814 1.00 0.00 H new ATOM 0 HD1 PHE A 77 11.072 -10.398 -0.606 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.441 -11.442 1.291 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.861 -8.708 -1.993 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.230 -9.753 -0.099 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.454 -8.404 -1.722 1.00 0.00 H new ATOM 993 N GLU A 78 11.030 -15.568 0.762 1.00 0.00 N ATOM 994 CA GLU A 78 11.219 -16.799 1.511 1.00 0.00 C ATOM 995 C GLU A 78 12.683 -16.945 1.930 1.00 0.00 C ATOM 996 O GLU A 78 13.449 -17.659 1.283 1.00 0.00 O ATOM 997 CB GLU A 78 10.757 -18.011 0.699 1.00 0.00 C ATOM 998 CG GLU A 78 9.357 -18.457 1.129 1.00 0.00 C ATOM 999 CD GLU A 78 9.225 -19.980 1.070 1.00 0.00 C ATOM 1000 OE1 GLU A 78 9.137 -20.499 -0.063 1.00 0.00 O ATOM 1001 OE2 GLU A 78 9.216 -20.591 2.161 1.00 0.00 O ATOM 0 H GLU A 78 11.052 -15.678 -0.252 1.00 0.00 H new ATOM 0 HA GLU A 78 10.607 -16.752 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.754 -17.763 -0.362 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.461 -18.832 0.832 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.156 -18.110 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.610 -17.998 0.481 1.00 0.00 H new ATOM 1008 N GLY A 79 13.028 -16.259 3.009 1.00 0.00 N ATOM 1009 CA GLY A 79 14.387 -16.304 3.522 1.00 0.00 C ATOM 1010 C GLY A 79 15.284 -15.307 2.785 1.00 0.00 C ATOM 1011 O GLY A 79 16.491 -15.517 2.675 1.00 0.00 O ATOM 0 H GLY A 79 12.390 -15.669 3.543 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.385 -16.078 4.588 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.788 -17.311 3.411 1.00 0.00 H new ATOM 1015 N MET A 80 14.660 -14.244 2.300 1.00 0.00 N ATOM 1016 CA MET A 80 15.387 -13.215 1.577 1.00 0.00 C ATOM 1017 C MET A 80 15.927 -12.150 2.534 1.00 0.00 C ATOM 1018 O MET A 80 15.601 -12.154 3.720 1.00 0.00 O ATOM 1019 CB MET A 80 14.459 -12.558 0.553 1.00 0.00 C ATOM 1020 CG MET A 80 14.692 -13.131 -0.846 1.00 0.00 C ATOM 1021 SD MET A 80 15.262 -11.845 -1.945 1.00 0.00 S ATOM 1022 CE MET A 80 13.743 -11.482 -2.810 1.00 0.00 C ATOM 0 H MET A 80 13.659 -14.073 2.394 1.00 0.00 H new ATOM 0 HA MET A 80 16.231 -13.682 1.069 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.421 -12.714 0.845 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.629 -11.481 0.542 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.427 -13.935 -0.801 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.768 -13.565 -1.229 1.00 0.00 H new ATOM 0 HE1 MET A 80 13.682 -10.411 -3.004 1.00 0.00 H new ATOM 0 HE2 MET A 80 13.725 -12.024 -3.756 1.00 0.00 H new ATOM 0 HE3 MET A 80 12.894 -11.789 -2.199 1.00 0.00 H new ATOM 1032 N SER A 81 16.743 -11.264 1.983 1.00 0.00 N ATOM 1033 CA SER A 81 17.332 -10.196 2.773 1.00 0.00 C ATOM 1034 C SER A 81 16.262 -9.164 3.135 1.00 0.00 C ATOM 1035 O SER A 81 15.173 -9.167 2.565 1.00 0.00 O ATOM 1036 CB SER A 81 18.484 -9.526 2.021 1.00 0.00 C ATOM 1037 OG SER A 81 18.255 -8.132 1.827 1.00 0.00 O ATOM 0 H SER A 81 17.010 -11.264 0.999 1.00 0.00 H new ATOM 0 HA SER A 81 17.735 -10.629 3.689 1.00 0.00 H new ATOM 0 HB2 SER A 81 19.411 -9.667 2.577 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.616 -10.010 1.053 1.00 0.00 H new ATOM 0 HG SER A 81 19.013 -7.740 1.345 1.00 0.00 H new ATOM 1043 N PRO A 82 16.621 -8.282 4.107 1.00 0.00 N ATOM 1044 CA PRO A 82 15.705 -7.246 4.553 1.00 0.00 C ATOM 1045 C PRO A 82 15.605 -6.121 3.521 1.00 0.00 C ATOM 1046 O PRO A 82 14.587 -5.436 3.440 1.00 0.00 O ATOM 1047 CB PRO A 82 16.258 -6.780 5.889 1.00 0.00 C ATOM 1048 CG PRO A 82 17.708 -7.237 5.922 1.00 0.00 C ATOM 1049 CD PRO A 82 17.903 -8.249 4.805 1.00 0.00 C ATOM 0 HA PRO A 82 14.683 -7.608 4.665 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.188 -5.696 5.984 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.694 -7.210 6.717 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.379 -6.388 5.790 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.946 -7.684 6.888 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.710 -7.950 4.136 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.164 -9.231 5.201 1.00 0.00 H new ATOM 1057 N LEU A 83 16.677 -5.965 2.758 1.00 0.00 N ATOM 1058 CA LEU A 83 16.723 -4.935 1.734 1.00 0.00 C ATOM 1059 C LEU A 83 15.978 -5.424 0.490 1.00 0.00 C ATOM 1060 O LEU A 83 15.035 -4.780 0.034 1.00 0.00 O ATOM 1061 CB LEU A 83 18.169 -4.516 1.460 1.00 0.00 C ATOM 1062 CG LEU A 83 18.783 -3.534 2.459 1.00 0.00 C ATOM 1063 CD1 LEU A 83 17.989 -2.227 2.502 1.00 0.00 C ATOM 1064 CD2 LEU A 83 18.914 -4.171 3.844 1.00 0.00 C ATOM 0 H LEU A 83 17.520 -6.535 2.828 1.00 0.00 H new ATOM 0 HA LEU A 83 16.214 -4.034 2.077 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.788 -5.413 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.215 -4.070 0.467 1.00 0.00 H new ATOM 0 HG LEU A 83 19.790 -3.288 2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.447 -1.547 3.220 1.00 0.00 H new ATOM 0 HD12 LEU A 83 17.991 -1.767 1.514 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.962 -2.435 2.803 1.00 0.00 H new ATOM 0 HD21 LEU A 83 19.353 -3.452 4.535 1.00 0.00 H new ATOM 0 HD22 LEU A 83 17.928 -4.465 4.204 1.00 0.00 H new ATOM 0 HD23 LEU A 83 19.554 -5.051 3.781 1.00 0.00 H new ATOM 1076 N GLN A 84 16.430 -6.559 -0.023 1.00 0.00 N ATOM 1077 CA GLN A 84 15.818 -7.142 -1.205 1.00 0.00 C ATOM 1078 C GLN A 84 14.294 -7.057 -1.110 1.00 0.00 C ATOM 1079 O GLN A 84 13.624 -6.738 -2.091 1.00 0.00 O ATOM 1080 CB GLN A 84 16.276 -8.589 -1.402 1.00 0.00 C ATOM 1081 CG GLN A 84 17.789 -8.661 -1.615 1.00 0.00 C ATOM 1082 CD GLN A 84 18.240 -10.102 -1.860 1.00 0.00 C ATOM 1083 OE1 GLN A 84 18.880 -10.729 -1.031 1.00 0.00 O ATOM 1084 NE2 GLN A 84 17.872 -10.591 -3.041 1.00 0.00 N ATOM 0 H GLN A 84 17.213 -7.090 0.358 1.00 0.00 H new ATOM 0 HA GLN A 84 16.140 -6.572 -2.076 1.00 0.00 H new ATOM 0 HB2 GLN A 84 15.999 -9.184 -0.531 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.763 -9.023 -2.260 1.00 0.00 H new ATOM 0 HG2 GLN A 84 18.070 -8.039 -2.465 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.302 -8.259 -0.742 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.337 -10.012 -3.688 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.125 -11.545 -3.299 1.00 0.00 H new ATOM 1093 N ARG A 85 13.789 -7.349 0.080 1.00 0.00 N ATOM 1094 CA ARG A 85 12.356 -7.310 0.316 1.00 0.00 C ATOM 1095 C ARG A 85 11.789 -5.947 -0.086 1.00 0.00 C ATOM 1096 O ARG A 85 11.049 -5.842 -1.063 1.00 0.00 O ATOM 1097 CB ARG A 85 12.032 -7.575 1.787 1.00 0.00 C ATOM 1098 CG ARG A 85 12.128 -9.068 2.109 1.00 0.00 C ATOM 1099 CD ARG A 85 12.249 -9.297 3.617 1.00 0.00 C ATOM 1100 NE ARG A 85 12.758 -10.662 3.882 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.616 -11.302 5.051 1.00 0.00 C ATOM 1102 NH1 ARG A 85 11.981 -10.706 6.069 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.110 -12.539 5.201 1.00 0.00 N ATOM 0 H ARG A 85 14.347 -7.614 0.891 1.00 0.00 H new ATOM 0 HA ARG A 85 11.899 -8.091 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.721 -7.017 2.421 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.028 -7.214 2.013 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.246 -9.583 1.729 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.992 -9.498 1.602 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.922 -8.558 4.053 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.277 -9.163 4.093 1.00 0.00 H new ATOM 0 HE ARG A 85 13.247 -11.145 3.128 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.605 -9.765 5.955 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.873 -11.194 6.958 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.594 -12.993 4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.002 -13.027 6.090 1.00 0.00 H new ATOM 1117 N HIS A 86 12.159 -4.936 0.688 1.00 0.00 N ATOM 1118 CA HIS A 86 11.696 -3.584 0.425 1.00 0.00 C ATOM 1119 C HIS A 86 12.035 -3.197 -1.016 1.00 0.00 C ATOM 1120 O HIS A 86 11.300 -2.440 -1.648 1.00 0.00 O ATOM 1121 CB HIS A 86 12.268 -2.605 1.452 1.00 0.00 C ATOM 1122 CG HIS A 86 11.662 -2.735 2.829 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.393 -1.644 3.636 1.00 0.00 N ATOM 1124 CD2 HIS A 86 11.275 -3.838 3.531 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.869 -2.082 4.771 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.797 -3.442 4.704 1.00 0.00 N ATOM 0 H HIS A 86 12.774 -5.027 1.497 1.00 0.00 H new ATOM 0 HA HIS A 86 10.612 -3.539 0.531 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.345 -2.758 1.524 1.00 0.00 H new ATOM 0 HB3 HIS A 86 12.114 -1.587 1.093 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.346 -4.860 3.190 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.554 -1.470 5.603 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.435 -4.054 5.435 1.00 0.00 H new ATOM 1134 N ARG A 87 13.148 -3.735 -1.494 1.00 0.00 N ATOM 1135 CA ARG A 87 13.592 -3.456 -2.848 1.00 0.00 C ATOM 1136 C ARG A 87 12.615 -4.054 -3.862 1.00 0.00 C ATOM 1137 O ARG A 87 12.293 -3.422 -4.867 1.00 0.00 O ATOM 1138 CB ARG A 87 14.990 -4.027 -3.098 1.00 0.00 C ATOM 1139 CG ARG A 87 15.567 -3.508 -4.416 1.00 0.00 C ATOM 1140 CD ARG A 87 16.476 -4.552 -5.066 1.00 0.00 C ATOM 1141 NE ARG A 87 17.779 -3.943 -5.414 1.00 0.00 N ATOM 1142 CZ ARG A 87 18.722 -4.552 -6.146 1.00 0.00 C ATOM 1143 NH1 ARG A 87 18.513 -5.791 -6.611 1.00 0.00 N ATOM 1144 NH2 ARG A 87 19.875 -3.923 -6.412 1.00 0.00 N ATOM 0 H ARG A 87 13.755 -4.363 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 87 13.627 -2.373 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.651 -3.754 -2.275 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.943 -5.116 -3.121 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.755 -3.253 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.130 -2.593 -4.235 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.627 -5.389 -4.385 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.001 -4.952 -5.962 1.00 0.00 H new ATOM 0 HE ARG A 87 17.972 -3.000 -5.075 1.00 0.00 H new ATOM 0 HH11 ARG A 87 17.636 -6.271 -6.408 1.00 0.00 H new ATOM 0 HH12 ARG A 87 19.231 -6.254 -7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.035 -2.980 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.592 -4.387 -6.969 1.00 0.00 H new ATOM 1158 N LEU A 88 12.172 -5.267 -3.564 1.00 0.00 N ATOM 1159 CA LEU A 88 11.238 -5.958 -4.437 1.00 0.00 C ATOM 1160 C LEU A 88 10.053 -5.038 -4.738 1.00 0.00 C ATOM 1161 O LEU A 88 9.724 -4.806 -5.901 1.00 0.00 O ATOM 1162 CB LEU A 88 10.834 -7.303 -3.831 1.00 0.00 C ATOM 1163 CG LEU A 88 11.541 -8.535 -4.400 1.00 0.00 C ATOM 1164 CD1 LEU A 88 10.832 -9.041 -5.658 1.00 0.00 C ATOM 1165 CD2 LEU A 88 13.022 -8.248 -4.653 1.00 0.00 C ATOM 0 H LEU A 88 12.443 -5.789 -2.730 1.00 0.00 H new ATOM 0 HA LEU A 88 11.710 -6.193 -5.391 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.020 -7.266 -2.758 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.760 -7.431 -3.965 1.00 0.00 H new ATOM 0 HG LEU A 88 11.489 -9.332 -3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.354 -9.917 -6.043 1.00 0.00 H new ATOM 0 HD12 LEU A 88 9.804 -9.310 -5.413 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.832 -8.257 -6.416 1.00 0.00 H new ATOM 0 HD21 LEU A 88 13.502 -9.140 -5.057 1.00 0.00 H new ATOM 0 HD22 LEU A 88 13.117 -7.430 -5.367 1.00 0.00 H new ATOM 0 HD23 LEU A 88 13.504 -7.970 -3.716 1.00 0.00 H new ATOM 1177 N VAL A 89 9.444 -4.541 -3.672 1.00 0.00 N ATOM 1178 CA VAL A 89 8.303 -3.652 -3.808 1.00 0.00 C ATOM 1179 C VAL A 89 8.755 -2.344 -4.461 1.00 0.00 C ATOM 1180 O VAL A 89 8.158 -1.895 -5.438 1.00 0.00 O ATOM 1181 CB VAL A 89 7.638 -3.441 -2.446 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.573 -2.345 -2.520 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.044 -4.748 -1.919 1.00 0.00 C ATOM 0 H VAL A 89 9.719 -4.737 -2.710 1.00 0.00 H new ATOM 0 HA VAL A 89 7.549 -4.096 -4.458 1.00 0.00 H new ATOM 0 HB VAL A 89 8.406 -3.115 -1.744 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.116 -2.215 -1.539 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.036 -1.409 -2.832 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.808 -2.630 -3.242 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.577 -4.571 -0.950 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.295 -5.116 -2.620 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.835 -5.490 -1.811 1.00 0.00 H new ATOM 1193 N HIS A 90 9.807 -1.770 -3.895 1.00 0.00 N ATOM 1194 CA HIS A 90 10.346 -0.523 -4.410 1.00 0.00 C ATOM 1195 C HIS A 90 10.589 -0.652 -5.915 1.00 0.00 C ATOM 1196 O HIS A 90 10.386 0.303 -6.664 1.00 0.00 O ATOM 1197 CB HIS A 90 11.604 -0.116 -3.639 1.00 0.00 C ATOM 1198 CG HIS A 90 11.325 0.466 -2.274 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.368 0.158 -1.352 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 12.079 1.490 -1.727 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.530 0.949 -0.299 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 11.590 1.776 -0.529 1.00 0.00 N flip ATOM 0 H HIS A 90 10.300 -2.146 -3.085 1.00 0.00 H new ATOM 0 HA HIS A 90 9.623 0.279 -4.261 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.247 -0.989 -3.526 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.159 0.615 -4.228 1.00 0.00 H new ATOM 0 HD2 HIS A 90 12.923 1.974 -2.197 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.922 0.940 0.594 1.00 0.00 H new ATOM 0 HE2 HIS A 90 11.944 2.489 0.109 1.00 0.00 H new ATOM 1210 N GLU A 91 11.021 -1.839 -6.313 1.00 0.00 N ATOM 1211 CA GLU A 91 11.294 -2.105 -7.715 1.00 0.00 C ATOM 1212 C GLU A 91 10.008 -1.992 -8.537 1.00 0.00 C ATOM 1213 O GLU A 91 10.001 -1.380 -9.604 1.00 0.00 O ATOM 1214 CB GLU A 91 11.941 -3.480 -7.897 1.00 0.00 C ATOM 1215 CG GLU A 91 13.400 -3.345 -8.339 1.00 0.00 C ATOM 1216 CD GLU A 91 13.765 -4.424 -9.360 1.00 0.00 C ATOM 1217 OE1 GLU A 91 12.862 -4.796 -10.140 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.940 -4.851 -9.338 1.00 0.00 O ATOM 0 H GLU A 91 11.189 -2.628 -5.689 1.00 0.00 H new ATOM 0 HA GLU A 91 12.000 -1.357 -8.075 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.891 -4.036 -6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.384 -4.053 -8.639 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.562 -2.358 -8.773 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.055 -3.423 -7.472 1.00 0.00 H new ATOM 1225 N ALA A 92 8.951 -2.591 -8.009 1.00 0.00 N ATOM 1226 CA ALA A 92 7.663 -2.565 -8.680 1.00 0.00 C ATOM 1227 C ALA A 92 7.112 -1.138 -8.662 1.00 0.00 C ATOM 1228 O ALA A 92 6.600 -0.653 -9.670 1.00 0.00 O ATOM 1229 CB ALA A 92 6.717 -3.563 -8.009 1.00 0.00 C ATOM 0 H ALA A 92 8.960 -3.098 -7.124 1.00 0.00 H new ATOM 0 HA ALA A 92 7.768 -2.865 -9.723 1.00 0.00 H new ATOM 0 HB1 ALA A 92 5.751 -3.543 -8.513 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.140 -4.566 -8.074 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.586 -3.292 -6.961 1.00 0.00 H new ATOM 1235 N LEU A 93 7.236 -0.504 -7.505 1.00 0.00 N ATOM 1236 CA LEU A 93 6.758 0.858 -7.343 1.00 0.00 C ATOM 1237 C LEU A 93 7.937 1.772 -7.002 1.00 0.00 C ATOM 1238 O LEU A 93 7.967 2.381 -5.934 1.00 0.00 O ATOM 1239 CB LEU A 93 5.624 0.909 -6.317 1.00 0.00 C ATOM 1240 CG LEU A 93 4.291 0.302 -6.759 1.00 0.00 C ATOM 1241 CD1 LEU A 93 3.645 1.143 -7.862 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.467 -1.158 -7.180 1.00 0.00 C ATOM 0 H LEU A 93 7.661 -0.909 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 93 6.330 1.225 -8.276 1.00 0.00 H new ATOM 0 HB2 LEU A 93 5.954 0.394 -5.415 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.454 1.951 -6.045 1.00 0.00 H new ATOM 0 HG LEU A 93 3.611 0.312 -5.907 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.699 0.690 -8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.464 2.152 -7.491 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.311 1.187 -8.723 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.505 -1.566 -7.490 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.170 -1.215 -8.011 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.852 -1.735 -6.339 1.00 0.00 H new ATOM 1254 N SER A 94 8.880 1.839 -7.930 1.00 0.00 N ATOM 1255 CA SER A 94 10.058 2.667 -7.742 1.00 0.00 C ATOM 1256 C SER A 94 9.707 4.138 -7.978 1.00 0.00 C ATOM 1257 O SER A 94 10.339 5.029 -7.413 1.00 0.00 O ATOM 1258 CB SER A 94 11.191 2.236 -8.676 1.00 0.00 C ATOM 1259 OG SER A 94 12.277 3.158 -8.660 1.00 0.00 O ATOM 0 H SER A 94 8.852 1.333 -8.815 1.00 0.00 H new ATOM 0 HA SER A 94 10.403 2.542 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 94 11.549 1.250 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 94 10.808 2.145 -9.692 1.00 0.00 H new ATOM 0 HG SER A 94 12.980 2.846 -9.268 1.00 0.00 H new ATOM 1265 N GLU A 95 8.700 4.346 -8.813 1.00 0.00 N ATOM 1266 CA GLU A 95 8.257 5.693 -9.130 1.00 0.00 C ATOM 1267 C GLU A 95 7.415 6.259 -7.985 1.00 0.00 C ATOM 1268 O GLU A 95 7.166 7.462 -7.929 1.00 0.00 O ATOM 1269 CB GLU A 95 7.479 5.718 -10.448 1.00 0.00 C ATOM 1270 CG GLU A 95 8.336 6.289 -11.580 1.00 0.00 C ATOM 1271 CD GLU A 95 7.511 7.212 -12.479 1.00 0.00 C ATOM 1272 OE1 GLU A 95 6.695 7.972 -11.915 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.716 7.137 -13.710 1.00 0.00 O ATOM 0 H GLU A 95 8.178 3.604 -9.280 1.00 0.00 H new ATOM 0 HA GLU A 95 9.137 6.324 -9.253 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.158 4.708 -10.704 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.577 6.319 -10.331 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.178 6.840 -11.161 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.752 5.474 -12.173 1.00 0.00 H new ATOM 1280 N GLU A 96 7.000 5.364 -7.100 1.00 0.00 N ATOM 1281 CA GLU A 96 6.191 5.759 -5.960 1.00 0.00 C ATOM 1282 C GLU A 96 7.079 6.321 -4.848 1.00 0.00 C ATOM 1283 O GLU A 96 6.984 7.500 -4.509 1.00 0.00 O ATOM 1284 CB GLU A 96 5.352 4.586 -5.450 1.00 0.00 C ATOM 1285 CG GLU A 96 4.357 4.119 -6.516 1.00 0.00 C ATOM 1286 CD GLU A 96 3.426 5.259 -6.932 1.00 0.00 C ATOM 1287 OE1 GLU A 96 3.859 6.063 -7.785 1.00 0.00 O ATOM 1288 OE2 GLU A 96 2.301 5.300 -6.388 1.00 0.00 O ATOM 0 H GLU A 96 7.209 4.367 -7.150 1.00 0.00 H new ATOM 0 HA GLU A 96 5.504 6.542 -6.281 1.00 0.00 H new ATOM 0 HB2 GLU A 96 6.006 3.760 -5.172 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.814 4.883 -4.550 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.898 3.750 -7.387 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.769 3.286 -6.130 1.00 0.00 H new ATOM 1295 N LEU A 97 7.923 5.452 -4.312 1.00 0.00 N ATOM 1296 CA LEU A 97 8.828 5.847 -3.246 1.00 0.00 C ATOM 1297 C LEU A 97 9.665 7.040 -3.709 1.00 0.00 C ATOM 1298 O LEU A 97 10.208 7.779 -2.889 1.00 0.00 O ATOM 1299 CB LEU A 97 9.664 4.652 -2.782 1.00 0.00 C ATOM 1300 CG LEU A 97 8.956 3.656 -1.861 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.191 4.381 -0.753 1.00 0.00 C ATOM 1302 CD2 LEU A 97 8.052 2.716 -2.661 1.00 0.00 C ATOM 0 H LEU A 97 7.999 4.475 -4.596 1.00 0.00 H new ATOM 0 HA LEU A 97 8.266 6.172 -2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 97 10.015 4.115 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 97 10.547 5.030 -2.266 1.00 0.00 H new ATOM 0 HG LEU A 97 9.714 3.040 -1.378 1.00 0.00 H new ATOM 0 HD11 LEU A 97 7.697 3.650 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 97 8.886 4.973 -0.158 1.00 0.00 H new ATOM 0 HD13 LEU A 97 7.443 5.038 -1.197 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.561 2.018 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.298 3.299 -3.190 1.00 0.00 H new ATOM 0 HD23 LEU A 97 8.652 2.160 -3.381 1.00 0.00 H new ATOM 1314 N ALA A 98 9.744 7.192 -5.023 1.00 0.00 N ATOM 1315 CA ALA A 98 10.506 8.283 -5.606 1.00 0.00 C ATOM 1316 C ALA A 98 9.551 9.248 -6.311 1.00 0.00 C ATOM 1317 O ALA A 98 9.586 9.380 -7.533 1.00 0.00 O ATOM 1318 CB ALA A 98 11.567 7.717 -6.552 1.00 0.00 C ATOM 0 H ALA A 98 9.293 6.577 -5.700 1.00 0.00 H new ATOM 0 HA ALA A 98 11.027 8.844 -4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 98 12.139 8.536 -6.989 1.00 0.00 H new ATOM 0 HB2 ALA A 98 12.238 7.062 -5.996 1.00 0.00 H new ATOM 0 HB3 ALA A 98 11.081 7.149 -7.346 1.00 0.00 H new ATOM 1324 N GLY A 99 8.719 9.897 -5.510 1.00 0.00 N ATOM 1325 CA GLY A 99 7.755 10.846 -6.042 1.00 0.00 C ATOM 1326 C GLY A 99 6.820 11.353 -4.942 1.00 0.00 C ATOM 1327 O GLY A 99 7.192 12.226 -4.160 1.00 0.00 O ATOM 0 H GLY A 99 8.692 9.785 -4.497 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.280 11.687 -6.495 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.171 10.373 -6.831 1.00 0.00 H new ATOM 1331 N PRO A 100 5.592 10.768 -4.917 1.00 0.00 N ATOM 1332 CA PRO A 100 4.601 11.151 -3.926 1.00 0.00 C ATOM 1333 C PRO A 100 4.945 10.569 -2.553 1.00 0.00 C ATOM 1334 O PRO A 100 5.050 11.304 -1.572 1.00 0.00 O ATOM 1335 CB PRO A 100 3.279 10.639 -4.474 1.00 0.00 C ATOM 1336 CG PRO A 100 3.637 9.589 -5.513 1.00 0.00 C ATOM 1337 CD PRO A 100 5.117 9.730 -5.828 1.00 0.00 C ATOM 0 HA PRO A 100 4.560 12.228 -3.766 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.667 10.210 -3.680 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.701 11.449 -4.920 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.421 8.590 -5.136 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.040 9.725 -6.415 1.00 0.00 H new ATOM 0 HD2 PRO A 100 5.647 8.791 -5.669 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.275 10.013 -6.869 1.00 0.00 H new ATOM 1345 N VAL A 101 5.110 9.255 -2.528 1.00 0.00 N ATOM 1346 CA VAL A 101 5.440 8.566 -1.292 1.00 0.00 C ATOM 1347 C VAL A 101 6.873 8.914 -0.885 1.00 0.00 C ATOM 1348 O VAL A 101 7.807 8.721 -1.662 1.00 0.00 O ATOM 1349 CB VAL A 101 5.214 7.061 -1.455 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.236 6.353 -0.099 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.907 6.781 -2.199 1.00 0.00 C ATOM 0 H VAL A 101 5.021 8.649 -3.344 1.00 0.00 H new ATOM 0 HA VAL A 101 4.784 8.895 -0.486 1.00 0.00 H new ATOM 0 HB VAL A 101 6.033 6.662 -2.054 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.073 5.285 -0.243 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.203 6.511 0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.448 6.758 0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.770 5.705 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.072 7.201 -1.638 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.946 7.238 -3.188 1.00 0.00 H new ATOM 1361 N HIS A 102 7.002 9.422 0.332 1.00 0.00 N ATOM 1362 CA HIS A 102 8.305 9.800 0.851 1.00 0.00 C ATOM 1363 C HIS A 102 8.713 8.834 1.965 1.00 0.00 C ATOM 1364 O HIS A 102 9.885 8.765 2.334 1.00 0.00 O ATOM 1365 CB HIS A 102 8.308 11.261 1.303 1.00 0.00 C ATOM 1366 CG HIS A 102 7.731 11.479 2.682 1.00 0.00 C ATOM 1367 ND1 HIS A 102 8.080 12.554 3.480 1.00 0.00 N ATOM 1368 CD2 HIS A 102 6.825 10.749 3.394 1.00 0.00 C ATOM 1369 CE1 HIS A 102 7.410 12.465 4.619 1.00 0.00 C ATOM 1370 NE2 HIS A 102 6.632 11.345 4.564 1.00 0.00 N ATOM 0 H HIS A 102 6.225 9.581 0.974 1.00 0.00 H new ATOM 0 HA HIS A 102 9.051 9.724 0.060 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.332 11.634 1.286 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.741 11.854 0.585 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.346 9.840 3.062 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.469 13.157 5.446 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.006 11.020 5.300 1.00 0.00 H new ATOM 1378 N ALA A 103 7.724 8.111 2.470 1.00 0.00 N ATOM 1379 CA ALA A 103 7.965 7.152 3.535 1.00 0.00 C ATOM 1380 C ALA A 103 6.779 6.190 3.627 1.00 0.00 C ATOM 1381 O ALA A 103 5.644 6.616 3.834 1.00 0.00 O ATOM 1382 CB ALA A 103 8.214 7.898 4.847 1.00 0.00 C ATOM 0 H ALA A 103 6.754 8.170 2.161 1.00 0.00 H new ATOM 0 HA ALA A 103 8.855 6.559 3.323 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.395 7.179 5.646 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.084 8.545 4.738 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.341 8.502 5.093 1.00 0.00 H new ATOM 1388 N LEU A 104 7.083 4.910 3.468 1.00 0.00 N ATOM 1389 CA LEU A 104 6.056 3.884 3.531 1.00 0.00 C ATOM 1390 C LEU A 104 6.634 2.631 4.191 1.00 0.00 C ATOM 1391 O LEU A 104 7.578 2.033 3.677 1.00 0.00 O ATOM 1392 CB LEU A 104 5.466 3.631 2.142 1.00 0.00 C ATOM 1393 CG LEU A 104 5.026 2.195 1.852 1.00 0.00 C ATOM 1394 CD1 LEU A 104 3.948 1.742 2.838 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.573 2.043 0.398 1.00 0.00 C ATOM 0 H LEU A 104 8.026 4.560 3.296 1.00 0.00 H new ATOM 0 HA LEU A 104 5.223 4.216 4.150 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.606 4.287 2.009 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.206 3.921 1.396 1.00 0.00 H new ATOM 0 HG LEU A 104 5.886 1.540 1.992 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.653 0.718 2.609 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.341 1.788 3.854 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.080 2.397 2.755 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.266 1.013 0.219 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.733 2.711 0.207 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.397 2.297 -0.268 1.00 0.00 H new ATOM 1407 N ALA A 105 6.042 2.270 5.321 1.00 0.00 N ATOM 1408 CA ALA A 105 6.486 1.098 6.057 1.00 0.00 C ATOM 1409 C ALA A 105 5.983 -0.163 5.351 1.00 0.00 C ATOM 1410 O ALA A 105 4.849 -0.587 5.563 1.00 0.00 O ATOM 1411 CB ALA A 105 5.998 1.190 7.504 1.00 0.00 C ATOM 0 H ALA A 105 5.259 2.768 5.744 1.00 0.00 H new ATOM 0 HA ALA A 105 7.575 1.050 6.082 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.331 0.311 8.057 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.406 2.087 7.969 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.909 1.237 7.518 1.00 0.00 H new ATOM 1417 N ILE A 106 6.853 -0.727 4.526 1.00 0.00 N ATOM 1418 CA ILE A 106 6.512 -1.931 3.787 1.00 0.00 C ATOM 1419 C ILE A 106 6.663 -3.146 4.704 1.00 0.00 C ATOM 1420 O ILE A 106 7.630 -3.242 5.459 1.00 0.00 O ATOM 1421 CB ILE A 106 7.337 -2.023 2.503 1.00 0.00 C ATOM 1422 CG1 ILE A 106 7.263 -0.718 1.708 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.912 -3.230 1.663 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.883 -0.885 0.319 1.00 0.00 C ATOM 0 H ILE A 106 7.794 -0.372 4.353 1.00 0.00 H new ATOM 0 HA ILE A 106 5.470 -1.900 3.467 1.00 0.00 H new ATOM 0 HB ILE A 106 8.381 -2.173 2.779 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.223 -0.406 1.611 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.783 0.072 2.250 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.514 -3.272 0.756 1.00 0.00 H new ATOM 0 HG22 ILE A 106 7.059 -4.144 2.239 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.860 -3.135 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.817 0.057 -0.225 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.929 -1.173 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.345 -1.658 -0.229 1.00 0.00 H new ATOM 1436 N GLN A 107 5.693 -4.044 4.609 1.00 0.00 N ATOM 1437 CA GLN A 107 5.707 -5.249 5.420 1.00 0.00 C ATOM 1438 C GLN A 107 5.942 -6.479 4.541 1.00 0.00 C ATOM 1439 O GLN A 107 5.003 -7.016 3.955 1.00 0.00 O ATOM 1440 CB GLN A 107 4.409 -5.386 6.219 1.00 0.00 C ATOM 1441 CG GLN A 107 4.701 -5.628 7.702 1.00 0.00 C ATOM 1442 CD GLN A 107 3.728 -4.846 8.587 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.334 -5.506 9.672 1.00 0.00 O flip ATOM 1444 NE2 GLN A 107 3.359 -3.718 8.303 1.00 0.00 N flip ATOM 0 H GLN A 107 4.892 -3.961 3.983 1.00 0.00 H new ATOM 0 HA GLN A 107 6.529 -5.174 6.132 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.811 -4.482 6.105 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.818 -6.211 5.821 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.624 -6.693 7.923 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.725 -5.329 7.928 1.00 0.00 H new ATOM 0 HE21 GLN A 107 3.701 -3.268 7.454 1.00 0.00 H new ATOM 0 HE22 GLN A 107 2.709 -3.225 8.915 1.00 0.00 H new ATOM 1453 N ALA A 108 7.200 -6.889 4.476 1.00 0.00 N ATOM 1454 CA ALA A 108 7.570 -8.045 3.678 1.00 0.00 C ATOM 1455 C ALA A 108 7.584 -9.290 4.567 1.00 0.00 C ATOM 1456 O ALA A 108 8.461 -9.440 5.417 1.00 0.00 O ATOM 1457 CB ALA A 108 8.922 -7.792 3.008 1.00 0.00 C ATOM 0 H ALA A 108 7.976 -6.441 4.963 1.00 0.00 H new ATOM 0 HA ALA A 108 6.840 -8.214 2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.199 -8.660 2.409 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.851 -6.915 2.365 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.680 -7.621 3.772 1.00 0.00 H new ATOM 1463 N LYS A 109 6.603 -10.151 4.342 1.00 0.00 N ATOM 1464 CA LYS A 109 6.491 -11.378 5.112 1.00 0.00 C ATOM 1465 C LYS A 109 6.279 -12.556 4.159 1.00 0.00 C ATOM 1466 O LYS A 109 6.260 -12.378 2.942 1.00 0.00 O ATOM 1467 CB LYS A 109 5.401 -11.245 6.177 1.00 0.00 C ATOM 1468 CG LYS A 109 5.604 -9.980 7.014 1.00 0.00 C ATOM 1469 CD LYS A 109 5.668 -10.314 8.506 1.00 0.00 C ATOM 1470 CE LYS A 109 5.570 -9.046 9.357 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.976 -9.325 10.752 1.00 0.00 N ATOM 0 H LYS A 109 5.878 -10.023 3.637 1.00 0.00 H new ATOM 0 HA LYS A 109 7.415 -11.571 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.422 -11.216 5.699 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.413 -12.121 6.826 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.524 -9.482 6.709 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.788 -9.282 6.829 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.856 -10.994 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.601 -10.833 8.726 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.207 -8.268 8.936 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.548 -8.667 9.338 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.904 -8.454 11.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.352 -10.052 11.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.959 -9.666 10.766 1.00 0.00 H new ATOM 1485 N THR A 110 6.125 -13.732 4.749 1.00 0.00 N ATOM 1486 CA THR A 110 5.915 -14.939 3.967 1.00 0.00 C ATOM 1487 C THR A 110 4.582 -15.591 4.340 1.00 0.00 C ATOM 1488 O THR A 110 3.986 -15.252 5.361 1.00 0.00 O ATOM 1489 CB THR A 110 7.121 -15.857 4.181 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.540 -15.575 5.513 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.321 -15.456 3.320 1.00 0.00 C ATOM 0 H THR A 110 6.141 -13.875 5.759 1.00 0.00 H new ATOM 0 HA THR A 110 5.844 -14.713 2.903 1.00 0.00 H new ATOM 0 HB THR A 110 6.839 -16.885 3.955 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.519 -15.559 5.551 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.149 -16.139 3.510 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.045 -15.504 2.267 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.624 -14.439 3.570 1.00 0.00 H new ATOM 1499 N PRO A 111 4.142 -16.538 3.470 1.00 0.00 N ATOM 1500 CA PRO A 111 2.891 -17.240 3.697 1.00 0.00 C ATOM 1501 C PRO A 111 3.040 -18.281 4.809 1.00 0.00 C ATOM 1502 O PRO A 111 2.084 -18.979 5.143 1.00 0.00 O ATOM 1503 CB PRO A 111 2.533 -17.854 2.353 1.00 0.00 C ATOM 1504 CG PRO A 111 3.821 -17.866 1.545 1.00 0.00 C ATOM 1505 CD PRO A 111 4.822 -16.965 2.250 1.00 0.00 C ATOM 0 HA PRO A 111 2.096 -16.579 4.042 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.140 -18.863 2.477 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.762 -17.271 1.850 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.211 -18.880 1.464 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.638 -17.513 0.530 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.744 -17.500 2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 111 5.093 -16.112 1.628 1.00 0.00 H new ATOM 1513 N ALA A 112 4.247 -18.353 5.350 1.00 0.00 N ATOM 1514 CA ALA A 112 4.535 -19.297 6.416 1.00 0.00 C ATOM 1515 C ALA A 112 4.720 -18.535 7.730 1.00 0.00 C ATOM 1516 O ALA A 112 4.653 -19.123 8.808 1.00 0.00 O ATOM 1517 CB ALA A 112 5.764 -20.128 6.045 1.00 0.00 C ATOM 0 H ALA A 112 5.037 -17.772 5.070 1.00 0.00 H new ATOM 0 HA ALA A 112 3.704 -19.989 6.551 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.980 -20.836 6.845 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.570 -20.673 5.121 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.620 -19.468 5.904 1.00 0.00 H new ATOM 1523 N GLN A 113 4.951 -17.237 7.596 1.00 0.00 N ATOM 1524 CA GLN A 113 5.147 -16.388 8.759 1.00 0.00 C ATOM 1525 C GLN A 113 3.858 -15.632 9.088 1.00 0.00 C ATOM 1526 O GLN A 113 3.544 -15.411 10.256 1.00 0.00 O ATOM 1527 CB GLN A 113 6.311 -15.420 8.541 1.00 0.00 C ATOM 1528 CG GLN A 113 7.624 -16.178 8.334 1.00 0.00 C ATOM 1529 CD GLN A 113 8.313 -16.456 9.672 1.00 0.00 C ATOM 1530 OE1 GLN A 113 7.974 -17.379 10.394 1.00 0.00 O ATOM 1531 NE2 GLN A 113 9.296 -15.608 9.961 1.00 0.00 N ATOM 0 H GLN A 113 5.007 -16.753 6.700 1.00 0.00 H new ATOM 0 HA GLN A 113 5.400 -17.022 9.609 1.00 0.00 H new ATOM 0 HB2 GLN A 113 6.109 -14.792 7.673 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.402 -14.756 9.401 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.428 -17.119 7.819 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.287 -15.596 7.693 1.00 0.00 H new ATOM 0 HE21 GLN A 113 9.529 -14.857 9.312 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.817 -15.709 10.832 1.00 0.00 H new ATOM 1540 N TRP A 114 3.146 -15.255 8.036 1.00 0.00 N ATOM 1541 CA TRP A 114 1.899 -14.528 8.197 1.00 0.00 C ATOM 1542 C TRP A 114 0.946 -15.400 9.018 1.00 0.00 C ATOM 1543 O TRP A 114 0.092 -14.886 9.737 1.00 0.00 O ATOM 1544 CB TRP A 114 1.320 -14.123 6.840 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.079 -13.508 6.919 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.261 -14.128 6.795 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.396 -12.119 7.145 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.312 -13.243 6.925 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.769 -11.983 7.144 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.450 -11.013 7.344 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.418 -10.757 7.338 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.214 -9.796 7.536 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.595 -9.642 7.537 1.00 0.00 C ATOM 0 H TRP A 114 3.410 -15.440 7.068 1.00 0.00 H new ATOM 0 HA TRP A 114 2.064 -13.593 8.732 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.994 -13.408 6.368 1.00 0.00 H new ATOM 0 HB3 TRP A 114 1.284 -15.001 6.195 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.376 -15.187 6.616 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.305 -13.472 6.870 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.527 -11.096 7.348 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.495 -10.676 7.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.389 -8.914 7.695 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.032 -8.666 7.691 1.00 0.00 H new ATOM 1564 N ARG A 115 1.125 -16.706 8.881 1.00 0.00 N ATOM 1565 CA ARG A 115 0.292 -17.655 9.601 1.00 0.00 C ATOM 1566 C ARG A 115 0.536 -17.539 11.107 1.00 0.00 C ATOM 1567 O ARG A 115 -0.404 -17.606 11.898 1.00 0.00 O ATOM 1568 CB ARG A 115 0.579 -19.089 9.153 1.00 0.00 C ATOM 1569 CG ARG A 115 0.016 -19.351 7.755 1.00 0.00 C ATOM 1570 CD ARG A 115 -0.143 -20.851 7.499 1.00 0.00 C ATOM 1571 NE ARG A 115 -1.381 -21.105 6.729 1.00 0.00 N ATOM 1572 CZ ARG A 115 -1.803 -22.323 6.365 1.00 0.00 C ATOM 1573 NH1 ARG A 115 -1.088 -23.407 6.698 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -2.938 -22.458 5.666 1.00 0.00 N ATOM 0 H ARG A 115 1.834 -17.129 8.282 1.00 0.00 H new ATOM 0 HA ARG A 115 -0.749 -17.419 9.379 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.655 -19.266 9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 115 0.140 -19.790 9.863 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.950 -18.856 7.650 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.679 -18.919 7.005 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.720 -21.228 6.950 1.00 0.00 H new ATOM 0 HD3 ARG A 115 -0.178 -21.388 8.447 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.949 -20.302 6.458 1.00 0.00 H new ATOM 0 HH11 ARG A 115 -0.223 -23.304 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 115 -1.409 -24.335 6.421 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -3.481 -21.633 5.411 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -3.259 -23.386 5.389 1.00 0.00 H new ATOM 1588 N GLU A 116 1.802 -17.368 11.458 1.00 0.00 N ATOM 1589 CA GLU A 116 2.180 -17.243 12.855 1.00 0.00 C ATOM 1590 C GLU A 116 1.501 -16.024 13.482 1.00 0.00 C ATOM 1591 O GLU A 116 0.880 -16.129 14.539 1.00 0.00 O ATOM 1592 CB GLU A 116 3.701 -17.161 13.006 1.00 0.00 C ATOM 1593 CG GLU A 116 4.269 -18.473 13.552 1.00 0.00 C ATOM 1594 CD GLU A 116 5.755 -18.330 13.887 1.00 0.00 C ATOM 1595 OE1 GLU A 116 6.530 -18.087 12.936 1.00 0.00 O ATOM 1596 OE2 GLU A 116 6.083 -18.465 15.085 1.00 0.00 O ATOM 0 H GLU A 116 2.579 -17.313 10.799 1.00 0.00 H new ATOM 0 HA GLU A 116 1.842 -18.134 13.384 1.00 0.00 H new ATOM 0 HB2 GLU A 116 4.154 -16.938 12.040 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.960 -16.341 13.676 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.718 -18.768 14.445 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.133 -19.266 12.817 1.00 0.00 H new ATOM 1603 N ASN A 117 1.641 -14.894 12.804 1.00 0.00 N ATOM 1604 CA ASN A 117 1.049 -13.656 13.281 1.00 0.00 C ATOM 1605 C ASN A 117 0.574 -12.829 12.085 1.00 0.00 C ATOM 1606 O ASN A 117 1.301 -11.967 11.594 1.00 0.00 O ATOM 1607 CB ASN A 117 2.068 -12.821 14.058 1.00 0.00 C ATOM 1608 CG ASN A 117 1.376 -11.717 14.860 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.172 -11.531 14.798 1.00 0.00 O ATOM 1610 ND2 ASN A 117 2.202 -10.997 15.613 1.00 0.00 N ATOM 0 H ASN A 117 2.156 -14.810 11.928 1.00 0.00 H new ATOM 0 HA ASN A 117 0.217 -13.912 13.937 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.633 -13.465 14.732 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.784 -12.378 13.366 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.837 -10.236 16.185 1.00 0.00 H new ATOM 0 HD22 ASN A 117 3.200 -11.206 15.618 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.676 -13.128 11.639 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.256 -12.422 10.510 1.00 0.00 C ATOM 1619 C PRO A 118 -1.700 -11.014 10.913 1.00 0.00 C ATOM 1620 O PRO A 118 -2.224 -10.265 10.090 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.409 -13.298 10.048 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.722 -14.223 11.213 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.565 -14.143 12.196 1.00 0.00 C ATOM 0 HA PRO A 118 -0.543 -12.266 9.701 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.277 -12.694 9.785 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.135 -13.867 9.160 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.654 -13.927 11.695 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.855 -15.247 10.863 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.910 -13.864 13.192 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.059 -15.104 12.291 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.472 -10.696 12.179 1.00 0.00 N ATOM 1632 CA GLN A 119 -1.842 -9.392 12.701 1.00 0.00 C ATOM 1633 C GLN A 119 -0.780 -8.353 12.333 1.00 0.00 C ATOM 1634 O GLN A 119 0.382 -8.487 12.712 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.054 -9.447 14.215 1.00 0.00 C ATOM 1636 CG GLN A 119 -2.608 -8.121 14.740 1.00 0.00 C ATOM 1637 CD GLN A 119 -2.733 -8.144 16.264 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -1.791 -7.881 16.994 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -3.945 -8.473 16.703 1.00 0.00 N ATOM 0 H GLN A 119 -1.036 -11.319 12.858 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.787 -9.095 12.246 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -2.743 -10.255 14.460 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -1.109 -9.672 14.710 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -1.953 -7.304 14.438 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -3.584 -7.929 14.294 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.689 -8.681 16.037 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -4.130 -8.517 17.705 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.218 -7.340 11.599 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.320 -6.279 11.177 1.00 0.00 C ATOM 1650 C LEU A 120 -0.287 -5.188 12.248 1.00 0.00 C ATOM 1651 O LEU A 120 -0.897 -5.333 13.306 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.711 -5.767 9.789 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.407 -6.703 8.618 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.281 -6.369 7.407 1.00 0.00 C ATOM 1655 CD2 LEU A 120 1.083 -6.683 8.273 1.00 0.00 C ATOM 0 H LEU A 120 -2.183 -7.232 11.286 1.00 0.00 H new ATOM 0 HA LEU A 120 0.697 -6.658 11.077 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.780 -5.554 9.790 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.198 -4.821 9.615 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.654 -7.721 8.921 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.044 -7.049 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.332 -6.476 7.676 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.090 -5.343 7.092 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.272 -7.357 7.437 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.379 -5.671 7.997 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.661 -7.007 9.138 1.00 0.00 H new