USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -26:sc= 0.381 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= -1.87! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -110:sc= -4.35! (180deg=-12.2!) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 GLN : amide:sc= -1.04 K(o=-1,f=-5!) USER MOD Single : A 86 HIS : no HD1:sc= -0.185 X(o=-0.19,f=0) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -3.04 F(o=-4.8!,f=-3) USER MOD Single : A 94 SER OG : rot 25:sc= 0.912 USER MOD Single : A 102 HIS :FLIP no HD1:sc= -0.444 F(o=-2.4,f=-0.44) USER MOD Single : A 107 GLN : amide:sc= -0.45 K(o=-0.45,f=-1.8!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -120:sc= -0.873 USER MOD Single : A 113 GLN : amide:sc= -0.131 K(o=-0.13,f=-0.66) USER MOD Single : A 117 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.05) USER MOD Single : A 119 GLN : amide:sc=-0.00418 X(o=-0.0042,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -2.971 6.386 -6.513 1.00 0.00 N ATOM 302 CA VAL A 32 -1.603 5.992 -6.224 1.00 0.00 C ATOM 303 C VAL A 32 -1.610 4.699 -5.407 1.00 0.00 C ATOM 304 O VAL A 32 -1.195 3.649 -5.895 1.00 0.00 O ATOM 305 CB VAL A 32 -0.865 7.137 -5.526 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.543 6.708 -5.110 1.00 0.00 C ATOM 307 CG2 VAL A 32 -0.820 8.382 -6.413 1.00 0.00 C ATOM 0 HA VAL A 32 -1.061 5.789 -7.148 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.419 7.391 -4.622 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.046 7.540 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.478 5.864 -4.423 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.110 6.414 -5.993 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.290 9.180 -5.893 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.301 8.148 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.836 8.707 -6.636 1.00 0.00 H new ATOM 317 N GLU A 33 -2.087 4.817 -4.176 1.00 0.00 N ATOM 318 CA GLU A 33 -2.155 3.670 -3.287 1.00 0.00 C ATOM 319 C GLU A 33 -2.721 2.457 -4.027 1.00 0.00 C ATOM 320 O GLU A 33 -2.083 1.406 -4.082 1.00 0.00 O ATOM 321 CB GLU A 33 -2.986 3.990 -2.042 1.00 0.00 C ATOM 322 CG GLU A 33 -3.133 2.756 -1.150 1.00 0.00 C ATOM 323 CD GLU A 33 -4.350 2.886 -0.231 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.194 3.530 0.829 1.00 0.00 O ATOM 325 OE2 GLU A 33 -5.408 2.339 -0.610 1.00 0.00 O ATOM 0 H GLU A 33 -2.430 5.689 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.144 3.430 -2.957 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.512 4.795 -1.480 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -3.972 4.347 -2.340 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.234 1.865 -1.770 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.232 2.627 -0.550 1.00 0.00 H new ATOM 332 N ALA A 34 -3.912 2.642 -4.577 1.00 0.00 N ATOM 333 CA ALA A 34 -4.571 1.575 -5.311 1.00 0.00 C ATOM 334 C ALA A 34 -3.561 0.905 -6.246 1.00 0.00 C ATOM 335 O ALA A 34 -3.435 -0.318 -6.255 1.00 0.00 O ATOM 336 CB ALA A 34 -5.775 2.142 -6.065 1.00 0.00 C ATOM 0 H ALA A 34 -4.438 3.515 -4.529 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.944 0.813 -4.627 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.269 1.342 -6.616 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.476 2.580 -5.354 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.439 2.909 -6.763 1.00 0.00 H new ATOM 342 N ALA A 35 -2.867 1.737 -7.009 1.00 0.00 N ATOM 343 CA ALA A 35 -1.872 1.241 -7.944 1.00 0.00 C ATOM 344 C ALA A 35 -0.804 0.458 -7.179 1.00 0.00 C ATOM 345 O ALA A 35 -0.489 -0.678 -7.532 1.00 0.00 O ATOM 346 CB ALA A 35 -1.283 2.413 -8.733 1.00 0.00 C ATOM 0 H ALA A 35 -2.974 2.751 -6.999 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.328 0.560 -8.663 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.536 2.041 -9.435 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.078 2.918 -9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.815 3.116 -8.044 1.00 0.00 H new ATOM 352 N ILE A 36 -0.276 1.095 -6.144 1.00 0.00 N ATOM 353 CA ILE A 36 0.750 0.472 -5.325 1.00 0.00 C ATOM 354 C ILE A 36 0.358 -0.979 -5.041 1.00 0.00 C ATOM 355 O ILE A 36 1.210 -1.867 -5.039 1.00 0.00 O ATOM 356 CB ILE A 36 1.004 1.299 -4.064 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.540 2.688 -4.417 1.00 0.00 C ATOM 358 CG2 ILE A 36 1.930 0.557 -3.098 1.00 0.00 C ATOM 359 CD1 ILE A 36 2.042 3.416 -3.169 1.00 0.00 C ATOM 0 H ILE A 36 -0.540 2.037 -5.854 1.00 0.00 H new ATOM 0 HA ILE A 36 1.700 0.447 -5.858 1.00 0.00 H new ATOM 0 HB ILE A 36 0.052 1.441 -3.553 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.351 2.596 -5.139 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.754 3.275 -4.893 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.094 1.167 -2.210 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.472 -0.389 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.885 0.363 -3.586 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.417 4.400 -3.448 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.223 3.528 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.844 2.839 -2.709 1.00 0.00 H new ATOM 371 N ARG A 37 -0.931 -1.175 -4.808 1.00 0.00 N ATOM 372 CA ARG A 37 -1.446 -2.504 -4.523 1.00 0.00 C ATOM 373 C ARG A 37 -1.652 -3.284 -5.823 1.00 0.00 C ATOM 374 O ARG A 37 -0.977 -4.283 -6.064 1.00 0.00 O ATOM 375 CB ARG A 37 -2.774 -2.429 -3.765 1.00 0.00 C ATOM 376 CG ARG A 37 -3.100 -3.766 -3.097 1.00 0.00 C ATOM 377 CD ARG A 37 -4.601 -3.892 -2.828 1.00 0.00 C ATOM 378 NE ARG A 37 -5.349 -3.863 -4.105 1.00 0.00 N ATOM 379 CZ ARG A 37 -5.874 -2.754 -4.642 1.00 0.00 C ATOM 380 NH1 ARG A 37 -5.737 -1.576 -4.017 1.00 0.00 N ATOM 381 NH2 ARG A 37 -6.537 -2.822 -5.805 1.00 0.00 N ATOM 0 H ARG A 37 -1.634 -0.436 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.713 -3.017 -3.900 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.722 -1.644 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.575 -2.157 -4.453 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.771 -4.586 -3.736 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.550 -3.852 -2.160 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.807 -4.822 -2.298 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.933 -3.078 -2.184 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.472 -4.742 -4.607 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -5.233 -1.524 -3.132 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -6.137 -0.732 -4.427 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.642 -3.718 -6.281 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.937 -1.978 -6.214 1.00 0.00 H new ATOM 395 N ALA A 38 -2.587 -2.797 -6.626 1.00 0.00 N ATOM 396 CA ALA A 38 -2.889 -3.436 -7.895 1.00 0.00 C ATOM 397 C ALA A 38 -1.586 -3.891 -8.556 1.00 0.00 C ATOM 398 O ALA A 38 -1.561 -4.904 -9.253 1.00 0.00 O ATOM 399 CB ALA A 38 -3.684 -2.470 -8.776 1.00 0.00 C ATOM 0 H ALA A 38 -3.145 -1.968 -6.422 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.506 -4.321 -7.742 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.911 -2.949 -9.728 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.614 -2.201 -8.274 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -3.095 -1.571 -8.954 1.00 0.00 H new ATOM 405 N LYS A 39 -0.537 -3.120 -8.313 1.00 0.00 N ATOM 406 CA LYS A 39 0.766 -3.431 -8.876 1.00 0.00 C ATOM 407 C LYS A 39 1.318 -4.692 -8.207 1.00 0.00 C ATOM 408 O LYS A 39 1.385 -5.750 -8.830 1.00 0.00 O ATOM 409 CB LYS A 39 1.698 -2.222 -8.770 1.00 0.00 C ATOM 410 CG LYS A 39 1.317 -1.146 -9.790 1.00 0.00 C ATOM 411 CD LYS A 39 2.203 -1.233 -11.035 1.00 0.00 C ATOM 412 CE LYS A 39 1.582 -0.465 -12.204 1.00 0.00 C ATOM 413 NZ LYS A 39 2.502 0.594 -12.674 1.00 0.00 N ATOM 0 H LYS A 39 -0.562 -2.281 -7.734 1.00 0.00 H new ATOM 0 HA LYS A 39 0.679 -3.646 -9.941 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.649 -1.808 -7.763 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.728 -2.537 -8.935 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.271 -1.263 -10.074 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.415 -0.159 -9.337 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.190 -0.828 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.343 -2.277 -11.314 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.360 -1.151 -13.021 1.00 0.00 H new ATOM 0 HE3 LYS A 39 0.636 -0.022 -11.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 2.066 1.106 -13.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 2.693 1.258 -11.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 3.395 0.164 -12.989 1.00 0.00 H new ATOM 427 N LEU A 40 1.699 -4.537 -6.948 1.00 0.00 N ATOM 428 CA LEU A 40 2.243 -5.650 -6.188 1.00 0.00 C ATOM 429 C LEU A 40 1.310 -6.856 -6.320 1.00 0.00 C ATOM 430 O LEU A 40 1.734 -7.996 -6.139 1.00 0.00 O ATOM 431 CB LEU A 40 2.507 -5.232 -4.740 1.00 0.00 C ATOM 432 CG LEU A 40 3.593 -4.174 -4.535 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.516 -3.574 -3.130 1.00 0.00 C ATOM 434 CD2 LEU A 40 4.980 -4.746 -4.839 1.00 0.00 C ATOM 0 H LEU A 40 1.642 -3.657 -6.435 1.00 0.00 H new ATOM 0 HA LEU A 40 3.211 -5.949 -6.590 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.576 -4.856 -4.316 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.781 -6.120 -4.170 1.00 0.00 H new ATOM 0 HG LEU A 40 3.417 -3.363 -5.241 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.299 -2.825 -3.011 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.542 -3.107 -2.987 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.652 -4.362 -2.390 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.734 -3.974 -4.686 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.181 -5.586 -4.174 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.014 -5.086 -5.874 1.00 0.00 H new ATOM 446 N GLU A 41 0.057 -6.562 -6.634 1.00 0.00 N ATOM 447 CA GLU A 41 -0.940 -7.608 -6.791 1.00 0.00 C ATOM 448 C GLU A 41 -0.552 -8.542 -7.939 1.00 0.00 C ATOM 449 O GLU A 41 -0.619 -9.762 -7.801 1.00 0.00 O ATOM 450 CB GLU A 41 -2.330 -7.011 -7.017 1.00 0.00 C ATOM 451 CG GLU A 41 -3.081 -6.855 -5.693 1.00 0.00 C ATOM 452 CD GLU A 41 -4.595 -6.921 -5.910 1.00 0.00 C ATOM 453 OE1 GLU A 41 -5.078 -6.151 -6.767 1.00 0.00 O ATOM 454 OE2 GLU A 41 -5.233 -7.739 -5.213 1.00 0.00 O ATOM 0 H GLU A 41 -0.291 -5.615 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.976 -8.190 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.238 -6.040 -7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.900 -7.652 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.774 -7.640 -5.002 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.817 -5.904 -5.231 1.00 0.00 H new ATOM 461 N GLN A 42 -0.154 -7.933 -9.047 1.00 0.00 N ATOM 462 CA GLN A 42 0.245 -8.695 -10.218 1.00 0.00 C ATOM 463 C GLN A 42 1.767 -8.671 -10.373 1.00 0.00 C ATOM 464 O GLN A 42 2.312 -9.306 -11.275 1.00 0.00 O ATOM 465 CB GLN A 42 -0.443 -8.165 -11.477 1.00 0.00 C ATOM 466 CG GLN A 42 -0.063 -6.706 -11.737 1.00 0.00 C ATOM 467 CD GLN A 42 -0.576 -6.240 -13.101 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.608 -6.674 -13.587 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.200 -5.335 -13.690 1.00 0.00 N ATOM 0 H GLN A 42 -0.099 -6.921 -9.158 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.070 -9.729 -10.080 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.161 -8.776 -12.334 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.524 -8.249 -11.367 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.478 -6.073 -10.953 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.021 -6.596 -11.695 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.051 -5.014 -13.228 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.056 -4.961 -14.604 1.00 0.00 H new ATOM 478 N ALA A 43 2.410 -7.933 -9.481 1.00 0.00 N ATOM 479 CA ALA A 43 3.858 -7.818 -9.507 1.00 0.00 C ATOM 480 C ALA A 43 4.457 -8.726 -8.431 1.00 0.00 C ATOM 481 O ALA A 43 5.675 -8.783 -8.270 1.00 0.00 O ATOM 482 CB ALA A 43 4.258 -6.353 -9.323 1.00 0.00 C ATOM 0 H ALA A 43 1.954 -7.408 -8.735 1.00 0.00 H new ATOM 0 HA ALA A 43 4.251 -8.144 -10.470 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.344 -6.267 -9.343 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.832 -5.756 -10.129 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.883 -5.991 -8.366 1.00 0.00 H new ATOM 488 N LEU A 44 3.573 -9.413 -7.723 1.00 0.00 N ATOM 489 CA LEU A 44 4.000 -10.315 -6.666 1.00 0.00 C ATOM 490 C LEU A 44 2.959 -11.424 -6.497 1.00 0.00 C ATOM 491 O LEU A 44 3.309 -12.599 -6.403 1.00 0.00 O ATOM 492 CB LEU A 44 4.284 -9.537 -5.380 1.00 0.00 C ATOM 493 CG LEU A 44 5.445 -8.543 -5.440 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.464 -7.646 -4.201 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.777 -9.266 -5.644 1.00 0.00 C ATOM 0 H LEU A 44 2.563 -9.364 -7.860 1.00 0.00 H new ATOM 0 HA LEU A 44 4.940 -10.797 -6.933 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.381 -8.994 -5.100 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.485 -10.253 -4.583 1.00 0.00 H new ATOM 0 HG LEU A 44 5.295 -7.896 -6.304 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.299 -6.949 -4.269 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.530 -7.088 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.577 -8.261 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.585 -8.536 -5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 44 6.949 -9.953 -4.816 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.748 -9.825 -6.579 1.00 0.00 H new ATOM 507 N SER A 45 1.701 -11.010 -6.464 1.00 0.00 N ATOM 508 CA SER A 45 0.607 -11.954 -6.308 1.00 0.00 C ATOM 509 C SER A 45 0.699 -12.642 -4.945 1.00 0.00 C ATOM 510 O SER A 45 0.775 -13.867 -4.868 1.00 0.00 O ATOM 511 CB SER A 45 0.613 -12.994 -7.430 1.00 0.00 C ATOM 512 OG SER A 45 -0.696 -13.239 -7.939 1.00 0.00 O ATOM 0 H SER A 45 1.415 -10.034 -6.543 1.00 0.00 H new ATOM 0 HA SER A 45 -0.331 -11.402 -6.366 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.258 -12.651 -8.239 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.037 -13.926 -7.058 1.00 0.00 H new ATOM 0 HG SER A 45 -0.649 -13.907 -8.654 1.00 0.00 H new ATOM 518 N PRO A 46 0.690 -11.802 -3.875 1.00 0.00 N ATOM 519 CA PRO A 46 0.772 -12.316 -2.519 1.00 0.00 C ATOM 520 C PRO A 46 -0.558 -12.937 -2.087 1.00 0.00 C ATOM 521 O PRO A 46 -1.561 -12.817 -2.789 1.00 0.00 O ATOM 522 CB PRO A 46 1.174 -11.122 -1.669 1.00 0.00 C ATOM 523 CG PRO A 46 0.850 -9.891 -2.500 1.00 0.00 C ATOM 524 CD PRO A 46 0.601 -10.345 -3.929 1.00 0.00 C ATOM 0 HA PRO A 46 1.499 -13.122 -2.418 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.627 -11.112 -0.726 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.235 -11.158 -1.422 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.028 -9.383 -2.103 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.674 -9.179 -2.464 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.378 -10.021 -4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.341 -9.928 -4.612 1.00 0.00 H new ATOM 532 N GLU A 47 -0.523 -13.588 -0.933 1.00 0.00 N ATOM 533 CA GLU A 47 -1.713 -14.228 -0.399 1.00 0.00 C ATOM 534 C GLU A 47 -2.526 -13.230 0.429 1.00 0.00 C ATOM 535 O GLU A 47 -3.730 -13.407 0.613 1.00 0.00 O ATOM 536 CB GLU A 47 -1.348 -15.460 0.431 1.00 0.00 C ATOM 537 CG GLU A 47 -0.579 -16.480 -0.411 1.00 0.00 C ATOM 538 CD GLU A 47 -1.472 -17.664 -0.787 1.00 0.00 C ATOM 539 OE1 GLU A 47 -1.731 -18.488 0.117 1.00 0.00 O ATOM 540 OE2 GLU A 47 -1.875 -17.719 -1.968 1.00 0.00 O ATOM 0 H GLU A 47 0.311 -13.686 -0.353 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.327 -14.563 -1.235 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.744 -15.160 1.287 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.255 -15.919 0.826 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.203 -16.001 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.288 -16.836 0.145 1.00 0.00 H new ATOM 547 N VAL A 48 -1.837 -12.205 0.906 1.00 0.00 N ATOM 548 CA VAL A 48 -2.480 -11.179 1.709 1.00 0.00 C ATOM 549 C VAL A 48 -1.801 -9.833 1.448 1.00 0.00 C ATOM 550 O VAL A 48 -0.677 -9.603 1.892 1.00 0.00 O ATOM 551 CB VAL A 48 -2.460 -11.582 3.185 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.211 -10.561 4.042 1.00 0.00 C ATOM 553 CG2 VAL A 48 -3.034 -12.987 3.377 1.00 0.00 C ATOM 0 H VAL A 48 -0.839 -12.062 0.752 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.528 -11.074 1.428 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.421 -11.597 3.515 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.182 -10.871 5.087 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.739 -9.584 3.940 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.248 -10.500 3.711 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -3.008 -13.249 4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.064 -13.011 3.022 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.439 -13.704 2.811 1.00 0.00 H new ATOM 563 N LEU A 49 -2.513 -8.977 0.729 1.00 0.00 N ATOM 564 CA LEU A 49 -1.994 -7.660 0.404 1.00 0.00 C ATOM 565 C LEU A 49 -2.852 -6.595 1.089 1.00 0.00 C ATOM 566 O LEU A 49 -3.880 -6.182 0.554 1.00 0.00 O ATOM 567 CB LEU A 49 -1.890 -7.484 -1.113 1.00 0.00 C ATOM 568 CG LEU A 49 -0.527 -7.037 -1.645 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.421 -7.277 -3.152 1.00 0.00 C ATOM 570 CD2 LEU A 49 -0.246 -5.579 -1.275 1.00 0.00 C ATOM 0 H LEU A 49 -3.445 -9.170 0.363 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.979 -7.546 0.785 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.150 -8.430 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.637 -6.755 -1.426 1.00 0.00 H new ATOM 0 HG LEU A 49 0.242 -7.644 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.557 -6.951 -3.504 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.546 -8.339 -3.361 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.199 -6.712 -3.666 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.729 -5.286 -1.665 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.016 -4.939 -1.706 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.250 -5.472 -0.190 1.00 0.00 H new ATOM 582 N GLU A 50 -2.399 -6.180 2.263 1.00 0.00 N ATOM 583 CA GLU A 50 -3.112 -5.171 3.027 1.00 0.00 C ATOM 584 C GLU A 50 -2.452 -3.803 2.846 1.00 0.00 C ATOM 585 O GLU A 50 -1.236 -3.674 2.981 1.00 0.00 O ATOM 586 CB GLU A 50 -3.185 -5.553 4.506 1.00 0.00 C ATOM 587 CG GLU A 50 -4.417 -6.415 4.790 1.00 0.00 C ATOM 588 CD GLU A 50 -5.662 -5.546 4.979 1.00 0.00 C ATOM 589 OE1 GLU A 50 -5.765 -4.536 4.250 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.483 -5.911 5.849 1.00 0.00 O ATOM 0 H GLU A 50 -1.546 -6.525 2.704 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.133 -5.113 2.650 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.284 -6.096 4.790 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.219 -4.651 5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.576 -7.111 3.966 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.248 -7.014 5.685 1.00 0.00 H new ATOM 597 N LEU A 51 -3.282 -2.816 2.543 1.00 0.00 N ATOM 598 CA LEU A 51 -2.794 -1.462 2.342 1.00 0.00 C ATOM 599 C LEU A 51 -3.833 -0.467 2.861 1.00 0.00 C ATOM 600 O LEU A 51 -5.025 -0.614 2.596 1.00 0.00 O ATOM 601 CB LEU A 51 -2.411 -1.242 0.877 1.00 0.00 C ATOM 602 CG LEU A 51 -2.101 0.201 0.474 1.00 0.00 C ATOM 603 CD1 LEU A 51 -1.262 0.901 1.544 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.436 0.255 -0.903 1.00 0.00 C ATOM 0 H LEU A 51 -4.290 -2.927 2.432 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.881 -1.298 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.538 -1.856 0.654 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.225 -1.606 0.251 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.043 0.744 0.398 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.056 1.925 1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.810 0.912 2.486 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.322 0.366 1.677 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -1.226 1.292 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.504 -0.309 -0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.104 -0.180 -1.647 1.00 0.00 H new ATOM 616 N ARG A 52 -3.344 0.523 3.592 1.00 0.00 N ATOM 617 CA ARG A 52 -4.216 1.542 4.152 1.00 0.00 C ATOM 618 C ARG A 52 -3.482 2.883 4.232 1.00 0.00 C ATOM 619 O ARG A 52 -2.298 2.967 3.909 1.00 0.00 O ATOM 620 CB ARG A 52 -4.698 1.148 5.549 1.00 0.00 C ATOM 621 CG ARG A 52 -5.435 -0.192 5.517 1.00 0.00 C ATOM 622 CD ARG A 52 -6.795 -0.053 4.830 1.00 0.00 C ATOM 623 NE ARG A 52 -7.800 0.448 5.794 1.00 0.00 N ATOM 624 CZ ARG A 52 -8.435 -0.323 6.686 1.00 0.00 C ATOM 625 NH1 ARG A 52 -8.174 -1.636 6.743 1.00 0.00 N ATOM 626 NH2 ARG A 52 -9.333 0.218 7.522 1.00 0.00 N ATOM 0 H ARG A 52 -2.355 0.642 3.810 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.081 1.636 3.495 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.847 1.083 6.226 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.359 1.921 5.941 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.831 -0.931 4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.573 -0.560 6.534 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.717 0.631 3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -7.110 -1.017 4.431 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.023 1.443 5.778 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.492 -2.048 6.107 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.658 -2.223 7.422 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -9.533 1.217 7.479 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -9.816 -0.370 8.201 1.00 0.00 H new ATOM 794 N THR A 66 2.467 10.974 2.494 1.00 0.00 N ATOM 795 CA THR A 66 3.886 10.661 2.526 1.00 0.00 C ATOM 796 C THR A 66 4.155 9.499 3.484 1.00 0.00 C ATOM 797 O THR A 66 5.261 8.962 3.519 1.00 0.00 O ATOM 798 CB THR A 66 4.644 11.938 2.893 1.00 0.00 C ATOM 799 OG1 THR A 66 4.052 12.352 4.122 1.00 0.00 O ATOM 800 CG2 THR A 66 4.349 13.091 1.931 1.00 0.00 C ATOM 0 HA THR A 66 4.238 10.325 1.551 1.00 0.00 H new ATOM 0 HB THR A 66 5.715 11.735 2.899 1.00 0.00 H new ATOM 0 HG1 THR A 66 3.132 12.018 4.171 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.912 13.973 2.237 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.642 12.806 0.921 1.00 0.00 H new ATOM 0 HG23 THR A 66 3.283 13.317 1.950 1.00 0.00 H new ATOM 808 N HIS A 67 3.124 9.144 4.237 1.00 0.00 N ATOM 809 CA HIS A 67 3.235 8.055 5.193 1.00 0.00 C ATOM 810 C HIS A 67 2.178 6.993 4.885 1.00 0.00 C ATOM 811 O HIS A 67 0.980 7.254 4.993 1.00 0.00 O ATOM 812 CB HIS A 67 3.148 8.580 6.627 1.00 0.00 C ATOM 813 CG HIS A 67 4.200 8.016 7.552 1.00 0.00 C ATOM 814 ND1 HIS A 67 3.977 6.911 8.355 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.482 8.415 7.793 1.00 0.00 C ATOM 816 CE1 HIS A 67 5.081 6.665 9.044 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.013 7.598 8.695 1.00 0.00 N ATOM 0 H HIS A 67 2.208 9.591 4.204 1.00 0.00 H new ATOM 0 HA HIS A 67 4.213 7.582 5.100 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.237 9.666 6.611 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.162 8.347 7.029 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.980 9.253 7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 67 5.219 5.866 9.757 1.00 0.00 H new ATOM 0 HE2 HIS A 67 6.961 7.658 9.066 1.00 0.00 H new ATOM 825 N PHE A 68 2.658 5.817 4.509 1.00 0.00 N ATOM 826 CA PHE A 68 1.770 4.714 4.185 1.00 0.00 C ATOM 827 C PHE A 68 2.192 3.438 4.915 1.00 0.00 C ATOM 828 O PHE A 68 3.255 3.393 5.531 1.00 0.00 O ATOM 829 CB PHE A 68 1.875 4.483 2.676 1.00 0.00 C ATOM 830 CG PHE A 68 0.816 5.223 1.857 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.492 4.865 1.955 1.00 0.00 C ATOM 832 CD2 PHE A 68 1.183 6.240 1.032 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.475 5.552 1.195 1.00 0.00 C ATOM 834 CE2 PHE A 68 0.200 6.927 0.271 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.108 6.569 0.369 1.00 0.00 C ATOM 0 H PHE A 68 3.652 5.604 4.421 1.00 0.00 H new ATOM 0 HA PHE A 68 0.751 4.955 4.490 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.863 4.795 2.339 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.793 3.415 2.476 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.783 4.058 2.611 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.222 6.525 0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.514 5.267 1.273 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.491 7.734 -0.385 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.856 7.092 -0.209 1.00 0.00 H new ATOM 845 N ARG A 69 1.336 2.431 4.822 1.00 0.00 N ATOM 846 CA ARG A 69 1.606 1.157 5.467 1.00 0.00 C ATOM 847 C ARG A 69 1.015 0.010 4.644 1.00 0.00 C ATOM 848 O ARG A 69 -0.201 -0.164 4.599 1.00 0.00 O ATOM 849 CB ARG A 69 1.018 1.118 6.879 1.00 0.00 C ATOM 850 CG ARG A 69 2.078 0.705 7.903 1.00 0.00 C ATOM 851 CD ARG A 69 2.025 1.605 9.139 1.00 0.00 C ATOM 852 NE ARG A 69 3.345 2.238 9.361 1.00 0.00 N ATOM 853 CZ ARG A 69 4.354 1.658 10.024 1.00 0.00 C ATOM 854 NH1 ARG A 69 4.202 0.428 10.534 1.00 0.00 N ATOM 855 NH2 ARG A 69 5.516 2.307 10.176 1.00 0.00 N ATOM 0 H ARG A 69 0.455 2.471 4.310 1.00 0.00 H new ATOM 0 HA ARG A 69 2.688 1.042 5.533 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.620 2.099 7.138 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.184 0.417 6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 69 1.920 -0.333 8.197 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.068 0.761 7.450 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.262 2.372 9.008 1.00 0.00 H new ATOM 0 HD3 ARG A 69 1.741 1.019 10.014 1.00 0.00 H new ATOM 0 HE ARG A 69 3.495 3.174 8.986 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.318 -0.067 10.417 1.00 0.00 H new ATOM 0 HH12 ARG A 69 4.971 -0.013 11.039 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.632 3.243 9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.284 1.865 10.681 1.00 0.00 H new ATOM 869 N VAL A 70 1.905 -0.744 4.014 1.00 0.00 N ATOM 870 CA VAL A 70 1.487 -1.869 3.196 1.00 0.00 C ATOM 871 C VAL A 70 1.927 -3.173 3.866 1.00 0.00 C ATOM 872 O VAL A 70 2.986 -3.228 4.488 1.00 0.00 O ATOM 873 CB VAL A 70 2.032 -1.714 1.775 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.364 -2.450 1.615 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.012 -2.195 0.741 1.00 0.00 C ATOM 0 H VAL A 70 2.914 -0.597 4.054 1.00 0.00 H new ATOM 0 HA VAL A 70 0.401 -1.897 3.112 1.00 0.00 H new ATOM 0 HB VAL A 70 2.212 -0.653 1.599 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.729 -2.324 0.596 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.092 -2.040 2.315 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.220 -3.511 1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.424 -2.074 -0.261 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.785 -3.247 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.098 -1.607 0.831 1.00 0.00 H new ATOM 885 N ALA A 71 1.090 -4.189 3.716 1.00 0.00 N ATOM 886 CA ALA A 71 1.380 -5.488 4.298 1.00 0.00 C ATOM 887 C ALA A 71 1.205 -6.571 3.232 1.00 0.00 C ATOM 888 O ALA A 71 0.084 -6.988 2.943 1.00 0.00 O ATOM 889 CB ALA A 71 0.478 -5.716 5.513 1.00 0.00 C ATOM 0 H ALA A 71 0.212 -4.139 3.200 1.00 0.00 H new ATOM 0 HA ALA A 71 2.412 -5.531 4.645 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.695 -6.691 5.950 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.661 -4.937 6.253 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.566 -5.683 5.202 1.00 0.00 H new ATOM 895 N VAL A 72 2.330 -6.996 2.675 1.00 0.00 N ATOM 896 CA VAL A 72 2.315 -8.023 1.647 1.00 0.00 C ATOM 897 C VAL A 72 2.596 -9.384 2.287 1.00 0.00 C ATOM 898 O VAL A 72 3.294 -9.466 3.296 1.00 0.00 O ATOM 899 CB VAL A 72 3.307 -7.667 0.538 1.00 0.00 C ATOM 900 CG1 VAL A 72 4.746 -7.717 1.053 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.125 -8.582 -0.675 1.00 0.00 C ATOM 0 H VAL A 72 3.258 -6.648 2.916 1.00 0.00 H new ATOM 0 HA VAL A 72 1.332 -8.081 1.179 1.00 0.00 H new ATOM 0 HB VAL A 72 3.101 -6.645 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.431 -7.460 0.245 1.00 0.00 H new ATOM 0 HG12 VAL A 72 4.865 -7.005 1.870 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.969 -8.722 1.412 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.842 -8.308 -1.449 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.290 -9.618 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.113 -8.473 -1.064 1.00 0.00 H new ATOM 911 N VAL A 73 2.039 -10.417 1.673 1.00 0.00 N ATOM 912 CA VAL A 73 2.222 -11.770 2.170 1.00 0.00 C ATOM 913 C VAL A 73 2.461 -12.714 0.989 1.00 0.00 C ATOM 914 O VAL A 73 1.512 -13.237 0.407 1.00 0.00 O ATOM 915 CB VAL A 73 1.024 -12.178 3.029 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.168 -13.620 3.522 1.00 0.00 C ATOM 917 CG2 VAL A 73 0.837 -11.214 4.202 1.00 0.00 C ATOM 0 H VAL A 73 1.461 -10.345 0.836 1.00 0.00 H new ATOM 0 HA VAL A 73 3.100 -11.826 2.814 1.00 0.00 H new ATOM 0 HB VAL A 73 0.131 -12.125 2.406 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.303 -13.885 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.229 -14.293 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.074 -13.711 4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -0.021 -11.527 4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.732 -11.221 4.825 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.667 -10.207 3.822 1.00 0.00 H new ATOM 927 N SER A 74 3.733 -12.904 0.672 1.00 0.00 N ATOM 928 CA SER A 74 4.108 -13.776 -0.428 1.00 0.00 C ATOM 929 C SER A 74 5.379 -14.550 -0.072 1.00 0.00 C ATOM 930 O SER A 74 6.083 -14.194 0.871 1.00 0.00 O ATOM 931 CB SER A 74 4.315 -12.978 -1.717 1.00 0.00 C ATOM 932 OG SER A 74 3.531 -13.488 -2.792 1.00 0.00 O ATOM 0 H SER A 74 4.517 -12.469 1.158 1.00 0.00 H new ATOM 0 HA SER A 74 3.296 -14.483 -0.597 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.056 -11.934 -1.543 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.369 -13.003 -1.993 1.00 0.00 H new ATOM 0 HG SER A 74 3.690 -12.951 -3.596 1.00 0.00 H new ATOM 938 N SER A 75 5.634 -15.594 -0.847 1.00 0.00 N ATOM 939 CA SER A 75 6.807 -16.422 -0.625 1.00 0.00 C ATOM 940 C SER A 75 8.043 -15.749 -1.227 1.00 0.00 C ATOM 941 O SER A 75 9.172 -16.079 -0.866 1.00 0.00 O ATOM 942 CB SER A 75 6.619 -17.817 -1.224 1.00 0.00 C ATOM 943 OG SER A 75 6.486 -17.776 -2.642 1.00 0.00 O ATOM 0 H SER A 75 5.048 -15.885 -1.630 1.00 0.00 H new ATOM 0 HA SER A 75 6.948 -16.534 0.450 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.470 -18.443 -0.958 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.733 -18.281 -0.790 1.00 0.00 H new ATOM 0 HG SER A 75 6.370 -18.686 -2.986 1.00 0.00 H new ATOM 949 N ARG A 76 7.788 -14.817 -2.133 1.00 0.00 N ATOM 950 CA ARG A 76 8.865 -14.094 -2.788 1.00 0.00 C ATOM 951 C ARG A 76 9.946 -13.719 -1.772 1.00 0.00 C ATOM 952 O ARG A 76 11.136 -13.776 -2.077 1.00 0.00 O ATOM 953 CB ARG A 76 8.345 -12.824 -3.463 1.00 0.00 C ATOM 954 CG ARG A 76 8.855 -12.720 -4.902 1.00 0.00 C ATOM 955 CD ARG A 76 8.219 -13.793 -5.788 1.00 0.00 C ATOM 956 NE ARG A 76 9.065 -15.007 -5.799 1.00 0.00 N ATOM 957 CZ ARG A 76 10.221 -15.111 -6.469 1.00 0.00 C ATOM 958 NH1 ARG A 76 10.675 -14.074 -7.187 1.00 0.00 N ATOM 959 NH2 ARG A 76 10.922 -16.252 -6.422 1.00 0.00 N ATOM 0 H ARG A 76 6.851 -14.546 -2.429 1.00 0.00 H new ATOM 0 HA ARG A 76 9.289 -14.748 -3.550 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.255 -12.826 -3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.664 -11.950 -2.896 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.628 -11.732 -5.302 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.940 -12.828 -4.916 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.223 -14.037 -5.419 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.099 -13.414 -6.803 1.00 0.00 H new ATOM 0 HE ARG A 76 8.749 -15.815 -5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.141 -13.206 -7.223 1.00 0.00 H new ATOM 0 HH12 ARG A 76 11.555 -14.153 -7.697 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.576 -17.041 -5.876 1.00 0.00 H new ATOM 0 HH22 ARG A 76 11.802 -16.331 -6.932 1.00 0.00 H new ATOM 973 N PHE A 77 9.493 -13.341 -0.586 1.00 0.00 N ATOM 974 CA PHE A 77 10.406 -12.956 0.476 1.00 0.00 C ATOM 975 C PHE A 77 10.718 -14.144 1.389 1.00 0.00 C ATOM 976 O PHE A 77 10.713 -14.009 2.612 1.00 0.00 O ATOM 977 CB PHE A 77 9.707 -11.869 1.295 1.00 0.00 C ATOM 978 CG PHE A 77 8.955 -10.840 0.448 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.646 -9.944 -0.306 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.595 -10.821 0.450 1.00 0.00 C ATOM 981 CE1 PHE A 77 8.948 -8.989 -1.091 1.00 0.00 C ATOM 982 CE2 PHE A 77 6.897 -9.867 -0.335 1.00 0.00 C ATOM 983 CZ PHE A 77 7.588 -8.970 -1.089 1.00 0.00 C ATOM 0 H PHE A 77 8.505 -13.293 -0.337 1.00 0.00 H new ATOM 0 HA PHE A 77 11.345 -12.604 0.049 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.005 -12.341 1.983 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.450 -11.352 1.902 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.726 -9.959 -0.308 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.046 -11.532 1.049 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.497 -8.277 -1.690 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.817 -9.853 -0.334 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.057 -8.243 -1.686 1.00 0.00 H new ATOM 993 N GLU A 78 10.981 -15.280 0.760 1.00 0.00 N ATOM 994 CA GLU A 78 11.294 -16.490 1.500 1.00 0.00 C ATOM 995 C GLU A 78 12.785 -16.532 1.843 1.00 0.00 C ATOM 996 O GLU A 78 13.604 -16.933 1.018 1.00 0.00 O ATOM 997 CB GLU A 78 10.877 -17.736 0.717 1.00 0.00 C ATOM 998 CG GLU A 78 9.576 -18.322 1.271 1.00 0.00 C ATOM 999 CD GLU A 78 9.842 -19.618 2.038 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.157 -19.510 3.243 1.00 0.00 O ATOM 1001 OE2 GLU A 78 9.725 -20.688 1.402 1.00 0.00 O ATOM 0 H GLU A 78 10.984 -15.388 -0.254 1.00 0.00 H new ATOM 0 HA GLU A 78 10.727 -16.479 2.431 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.747 -17.482 -0.335 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.668 -18.484 0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.098 -17.597 1.930 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.882 -18.515 0.453 1.00 0.00 H new ATOM 1008 N GLY A 79 13.092 -16.112 3.062 1.00 0.00 N ATOM 1009 CA GLY A 79 14.469 -16.097 3.523 1.00 0.00 C ATOM 1010 C GLY A 79 15.300 -15.080 2.737 1.00 0.00 C ATOM 1011 O GLY A 79 16.520 -15.209 2.645 1.00 0.00 O ATOM 0 H GLY A 79 12.410 -15.780 3.744 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.498 -15.853 4.585 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.904 -17.090 3.413 1.00 0.00 H new ATOM 1015 N MET A 80 14.605 -14.093 2.191 1.00 0.00 N ATOM 1016 CA MET A 80 15.263 -13.055 1.416 1.00 0.00 C ATOM 1017 C MET A 80 15.768 -11.930 2.322 1.00 0.00 C ATOM 1018 O MET A 80 15.273 -11.756 3.435 1.00 0.00 O ATOM 1019 CB MET A 80 14.282 -12.483 0.391 1.00 0.00 C ATOM 1020 CG MET A 80 14.303 -13.300 -0.903 1.00 0.00 C ATOM 1021 SD MET A 80 14.515 -12.217 -2.305 1.00 0.00 S ATOM 1022 CE MET A 80 12.915 -11.425 -2.330 1.00 0.00 C ATOM 0 H MET A 80 13.593 -13.990 2.270 1.00 0.00 H new ATOM 0 HA MET A 80 16.119 -13.497 0.906 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.275 -12.481 0.808 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.540 -11.446 0.175 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.113 -14.028 -0.870 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.374 -13.861 -1.004 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.353 -11.767 -3.200 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.369 -11.680 -1.422 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.045 -10.344 -2.384 1.00 0.00 H new ATOM 1032 N SER A 81 16.746 -11.196 1.812 1.00 0.00 N ATOM 1033 CA SER A 81 17.323 -10.093 2.562 1.00 0.00 C ATOM 1034 C SER A 81 16.233 -9.086 2.932 1.00 0.00 C ATOM 1035 O SER A 81 15.164 -9.070 2.324 1.00 0.00 O ATOM 1036 CB SER A 81 18.432 -9.405 1.764 1.00 0.00 C ATOM 1037 OG SER A 81 19.726 -9.865 2.144 1.00 0.00 O ATOM 0 H SER A 81 17.153 -11.343 0.889 1.00 0.00 H new ATOM 0 HA SER A 81 17.764 -10.494 3.475 1.00 0.00 H new ATOM 0 HB2 SER A 81 18.280 -9.588 0.700 1.00 0.00 H new ATOM 0 HB3 SER A 81 18.372 -8.327 1.914 1.00 0.00 H new ATOM 0 HG SER A 81 20.407 -9.404 1.611 1.00 0.00 H new ATOM 1043 N PRO A 82 16.549 -8.247 3.955 1.00 0.00 N ATOM 1044 CA PRO A 82 15.608 -7.239 4.414 1.00 0.00 C ATOM 1045 C PRO A 82 15.537 -6.068 3.431 1.00 0.00 C ATOM 1046 O PRO A 82 14.507 -5.404 3.326 1.00 0.00 O ATOM 1047 CB PRO A 82 16.110 -6.829 5.789 1.00 0.00 C ATOM 1048 CG PRO A 82 17.561 -7.278 5.854 1.00 0.00 C ATOM 1049 CD PRO A 82 17.805 -8.237 4.700 1.00 0.00 C ATOM 0 HA PRO A 82 14.586 -7.613 4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 82 16.028 -5.751 5.929 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.520 -7.299 6.576 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.229 -6.420 5.785 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.767 -7.767 6.806 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.633 -7.902 4.075 1.00 0.00 H new ATOM 0 HD3 PRO A 82 18.060 -9.234 5.060 1.00 0.00 H new ATOM 1057 N LEU A 83 16.644 -5.852 2.737 1.00 0.00 N ATOM 1058 CA LEU A 83 16.719 -4.773 1.766 1.00 0.00 C ATOM 1059 C LEU A 83 16.064 -5.223 0.459 1.00 0.00 C ATOM 1060 O LEU A 83 15.325 -4.461 -0.163 1.00 0.00 O ATOM 1061 CB LEU A 83 18.166 -4.303 1.599 1.00 0.00 C ATOM 1062 CG LEU A 83 18.618 -3.179 2.532 1.00 0.00 C ATOM 1063 CD1 LEU A 83 20.142 -3.155 2.664 1.00 0.00 C ATOM 1064 CD2 LEU A 83 18.061 -1.829 2.075 1.00 0.00 C ATOM 0 H LEU A 83 17.496 -6.405 2.827 1.00 0.00 H new ATOM 0 HA LEU A 83 16.164 -3.904 2.118 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.824 -5.159 1.748 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.303 -3.971 0.570 1.00 0.00 H new ATOM 0 HG LEU A 83 18.212 -3.375 3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.437 -2.346 3.333 1.00 0.00 H new ATOM 0 HD12 LEU A 83 20.487 -4.106 3.070 1.00 0.00 H new ATOM 0 HD13 LEU A 83 20.590 -2.996 1.683 1.00 0.00 H new ATOM 0 HD21 LEU A 83 18.398 -1.047 2.756 1.00 0.00 H new ATOM 0 HD22 LEU A 83 18.416 -1.611 1.068 1.00 0.00 H new ATOM 0 HD23 LEU A 83 16.972 -1.866 2.075 1.00 0.00 H new ATOM 1076 N GLN A 84 16.357 -6.458 0.081 1.00 0.00 N ATOM 1077 CA GLN A 84 15.805 -7.018 -1.141 1.00 0.00 C ATOM 1078 C GLN A 84 14.277 -6.961 -1.108 1.00 0.00 C ATOM 1079 O GLN A 84 13.643 -6.640 -2.112 1.00 0.00 O ATOM 1080 CB GLN A 84 16.296 -8.451 -1.358 1.00 0.00 C ATOM 1081 CG GLN A 84 17.787 -8.475 -1.701 1.00 0.00 C ATOM 1082 CD GLN A 84 18.247 -9.892 -2.049 1.00 0.00 C ATOM 1083 OE1 GLN A 84 18.707 -10.647 -1.208 1.00 0.00 O ATOM 1084 NE2 GLN A 84 18.097 -10.209 -3.332 1.00 0.00 N ATOM 0 H GLN A 84 16.970 -7.087 0.600 1.00 0.00 H new ATOM 0 HA GLN A 84 16.153 -6.418 -1.982 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.117 -9.040 -0.459 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.727 -8.916 -2.163 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.981 -7.809 -2.542 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.364 -8.099 -0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 84 17.705 -9.529 -3.983 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.374 -11.132 -3.665 1.00 0.00 H new ATOM 1093 N ARG A 85 13.729 -7.277 0.056 1.00 0.00 N ATOM 1094 CA ARG A 85 12.287 -7.265 0.233 1.00 0.00 C ATOM 1095 C ARG A 85 11.704 -5.934 -0.247 1.00 0.00 C ATOM 1096 O ARG A 85 11.001 -5.888 -1.255 1.00 0.00 O ATOM 1097 CB ARG A 85 11.910 -7.479 1.700 1.00 0.00 C ATOM 1098 CG ARG A 85 12.015 -8.957 2.083 1.00 0.00 C ATOM 1099 CD ARG A 85 12.041 -9.128 3.603 1.00 0.00 C ATOM 1100 NE ARG A 85 12.894 -10.282 3.968 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.913 -10.848 5.182 1.00 0.00 C ATOM 1102 NH1 ARG A 85 12.125 -10.372 6.156 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.719 -11.892 5.422 1.00 0.00 N ATOM 0 H ARG A 85 14.258 -7.543 0.886 1.00 0.00 H new ATOM 0 HA ARG A 85 11.874 -8.081 -0.359 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.566 -6.887 2.338 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.893 -7.126 1.873 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.170 -9.505 1.666 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.919 -9.386 1.650 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.421 -8.221 4.073 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.029 -9.281 3.977 1.00 0.00 H new ATOM 0 HE ARG A 85 13.506 -10.670 3.250 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.511 -9.579 5.973 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.140 -10.803 7.080 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.318 -12.255 4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.734 -12.323 6.346 1.00 0.00 H new ATOM 1117 N HIS A 86 12.019 -4.884 0.497 1.00 0.00 N ATOM 1118 CA HIS A 86 11.535 -3.556 0.160 1.00 0.00 C ATOM 1119 C HIS A 86 11.953 -3.205 -1.270 1.00 0.00 C ATOM 1120 O HIS A 86 11.258 -2.459 -1.958 1.00 0.00 O ATOM 1121 CB HIS A 86 12.013 -2.527 1.186 1.00 0.00 C ATOM 1122 CG HIS A 86 11.393 -2.690 2.554 1.00 0.00 C ATOM 1123 ND1 HIS A 86 11.094 -1.616 3.374 1.00 0.00 N ATOM 1124 CD2 HIS A 86 11.018 -3.811 3.234 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.565 -2.081 4.496 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.519 -3.442 4.408 1.00 0.00 N ATOM 0 H HIS A 86 12.603 -4.926 1.332 1.00 0.00 H new ATOM 0 HA HIS A 86 10.446 -3.542 0.197 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.097 -2.598 1.279 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.790 -1.527 0.814 1.00 0.00 H new ATOM 0 HD2 HIS A 86 11.111 -4.826 2.878 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.229 -1.487 5.333 1.00 0.00 H new ATOM 0 HE2 HIS A 86 10.160 -4.072 5.126 1.00 0.00 H new ATOM 1134 N ARG A 87 13.085 -3.761 -1.674 1.00 0.00 N ATOM 1135 CA ARG A 87 13.604 -3.516 -3.009 1.00 0.00 C ATOM 1136 C ARG A 87 12.629 -4.046 -4.063 1.00 0.00 C ATOM 1137 O ARG A 87 12.161 -3.293 -4.915 1.00 0.00 O ATOM 1138 CB ARG A 87 14.966 -4.185 -3.203 1.00 0.00 C ATOM 1139 CG ARG A 87 15.700 -3.597 -4.409 1.00 0.00 C ATOM 1140 CD ARG A 87 16.780 -4.555 -4.915 1.00 0.00 C ATOM 1141 NE ARG A 87 18.045 -3.821 -5.137 1.00 0.00 N ATOM 1142 CZ ARG A 87 18.770 -3.260 -4.159 1.00 0.00 C ATOM 1143 NH1 ARG A 87 18.358 -3.347 -2.887 1.00 0.00 N ATOM 1144 NH2 ARG A 87 19.905 -2.613 -4.453 1.00 0.00 N ATOM 0 H ARG A 87 13.658 -4.380 -1.101 1.00 0.00 H new ATOM 0 HA ARG A 87 13.722 -2.439 -3.126 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.571 -4.054 -2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.831 -5.258 -3.342 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.988 -3.392 -5.208 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.154 -2.645 -4.134 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.936 -5.355 -4.191 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.455 -5.025 -5.843 1.00 0.00 H new ATOM 0 HE ARG A 87 18.387 -3.736 -6.094 1.00 0.00 H new ATOM 0 HH11 ARG A 87 17.493 -3.840 -2.664 1.00 0.00 H new ATOM 0 HH12 ARG A 87 18.909 -2.920 -2.142 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.218 -2.547 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.456 -2.186 -3.708 1.00 0.00 H new ATOM 1158 N LEU A 88 12.351 -5.338 -3.969 1.00 0.00 N ATOM 1159 CA LEU A 88 11.441 -5.978 -4.903 1.00 0.00 C ATOM 1160 C LEU A 88 10.216 -5.084 -5.108 1.00 0.00 C ATOM 1161 O LEU A 88 9.659 -5.028 -6.203 1.00 0.00 O ATOM 1162 CB LEU A 88 11.097 -7.393 -4.434 1.00 0.00 C ATOM 1163 CG LEU A 88 11.426 -8.523 -5.412 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.390 -9.530 -4.783 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.149 -9.193 -5.924 1.00 0.00 C ATOM 0 H LEU A 88 12.740 -5.959 -3.260 1.00 0.00 H new ATOM 0 HA LEU A 88 11.917 -6.097 -5.876 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.625 -7.583 -3.500 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.031 -7.431 -4.211 1.00 0.00 H new ATOM 0 HG LEU A 88 11.932 -8.091 -6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.607 -10.322 -5.499 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.316 -9.025 -4.509 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.935 -9.962 -3.892 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.410 -9.992 -6.617 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.594 -9.609 -5.083 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.532 -8.455 -6.437 1.00 0.00 H new ATOM 1177 N VAL A 89 9.832 -4.406 -4.036 1.00 0.00 N ATOM 1178 CA VAL A 89 8.683 -3.518 -4.084 1.00 0.00 C ATOM 1179 C VAL A 89 9.116 -2.162 -4.646 1.00 0.00 C ATOM 1180 O VAL A 89 8.578 -1.704 -5.653 1.00 0.00 O ATOM 1181 CB VAL A 89 8.044 -3.413 -2.698 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.818 -2.499 -2.727 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.684 -4.798 -2.155 1.00 0.00 C ATOM 0 H VAL A 89 10.296 -4.454 -3.129 1.00 0.00 H new ATOM 0 HA VAL A 89 7.919 -3.918 -4.750 1.00 0.00 H new ATOM 0 HB VAL A 89 8.776 -2.968 -2.024 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.383 -2.442 -1.729 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.115 -1.502 -3.051 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.081 -2.901 -3.422 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.231 -4.696 -1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.978 -5.281 -2.830 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.586 -5.405 -2.079 1.00 0.00 H new ATOM 1193 N HIS A 90 10.083 -1.559 -3.971 1.00 0.00 N ATOM 1194 CA HIS A 90 10.594 -0.265 -4.391 1.00 0.00 C ATOM 1195 C HIS A 90 10.877 -0.288 -5.894 1.00 0.00 C ATOM 1196 O HIS A 90 10.665 0.707 -6.585 1.00 0.00 O ATOM 1197 CB HIS A 90 11.819 0.130 -3.563 1.00 0.00 C ATOM 1198 CG HIS A 90 11.518 0.389 -2.106 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.343 0.335 -1.416 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 12.492 0.752 -1.193 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.586 0.647 -0.149 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 11.918 0.906 -0.008 1.00 0.00 N flip ATOM 0 H HIS A 90 10.526 -1.942 -3.136 1.00 0.00 H new ATOM 0 HA HIS A 90 9.842 0.503 -4.210 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.564 -0.663 -3.634 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.264 1.026 -3.996 1.00 0.00 H new ATOM 0 HD2 HIS A 90 13.542 0.887 -1.409 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.850 0.689 0.640 1.00 0.00 H new ATOM 0 HE2 HIS A 90 12.389 1.171 0.857 1.00 0.00 H new ATOM 1210 N GLU A 91 11.352 -1.435 -6.357 1.00 0.00 N ATOM 1211 CA GLU A 91 11.666 -1.601 -7.766 1.00 0.00 C ATOM 1212 C GLU A 91 10.389 -1.541 -8.606 1.00 0.00 C ATOM 1213 O GLU A 91 10.355 -0.883 -9.645 1.00 0.00 O ATOM 1214 CB GLU A 91 12.421 -2.910 -8.009 1.00 0.00 C ATOM 1215 CG GLU A 91 13.874 -2.640 -8.404 1.00 0.00 C ATOM 1216 CD GLU A 91 14.326 -3.589 -9.515 1.00 0.00 C ATOM 1217 OE1 GLU A 91 14.215 -4.815 -9.294 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.772 -3.068 -10.560 1.00 0.00 O ATOM 0 H GLU A 91 11.527 -2.259 -5.781 1.00 0.00 H new ATOM 0 HA GLU A 91 12.317 -0.782 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.393 -3.523 -7.108 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.926 -3.479 -8.796 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.978 -1.608 -8.738 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.519 -2.760 -7.534 1.00 0.00 H new ATOM 1225 N ALA A 92 9.369 -2.236 -8.124 1.00 0.00 N ATOM 1226 CA ALA A 92 8.092 -2.269 -8.817 1.00 0.00 C ATOM 1227 C ALA A 92 7.412 -0.905 -8.690 1.00 0.00 C ATOM 1228 O ALA A 92 6.850 -0.395 -9.659 1.00 0.00 O ATOM 1229 CB ALA A 92 7.234 -3.403 -8.252 1.00 0.00 C ATOM 0 H ALA A 92 9.401 -2.781 -7.262 1.00 0.00 H new ATOM 0 HA ALA A 92 8.237 -2.467 -9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.276 -3.428 -8.772 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.748 -4.354 -8.393 1.00 0.00 H new ATOM 0 HB3 ALA A 92 7.065 -3.236 -7.188 1.00 0.00 H new ATOM 1235 N LEU A 93 7.485 -0.352 -7.489 1.00 0.00 N ATOM 1236 CA LEU A 93 6.883 0.944 -7.223 1.00 0.00 C ATOM 1237 C LEU A 93 7.966 1.917 -6.752 1.00 0.00 C ATOM 1238 O LEU A 93 7.927 2.393 -5.618 1.00 0.00 O ATOM 1239 CB LEU A 93 5.716 0.802 -6.245 1.00 0.00 C ATOM 1240 CG LEU A 93 4.439 0.176 -6.810 1.00 0.00 C ATOM 1241 CD1 LEU A 93 3.964 0.930 -8.054 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.634 -1.316 -7.083 1.00 0.00 C ATOM 0 H LEU A 93 7.952 -0.778 -6.688 1.00 0.00 H new ATOM 0 HA LEU A 93 6.455 1.360 -8.135 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.048 0.200 -5.399 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.471 1.791 -5.857 1.00 0.00 H new ATOM 0 HG LEU A 93 3.653 0.265 -6.060 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.055 0.465 -8.436 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.759 1.968 -7.794 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.739 0.894 -8.819 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.712 -1.736 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.439 -1.452 -7.806 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.891 -1.825 -6.154 1.00 0.00 H new ATOM 1254 N SER A 94 8.906 2.184 -7.646 1.00 0.00 N ATOM 1255 CA SER A 94 9.997 3.093 -7.336 1.00 0.00 C ATOM 1256 C SER A 94 9.541 4.541 -7.521 1.00 0.00 C ATOM 1257 O SER A 94 9.997 5.435 -6.810 1.00 0.00 O ATOM 1258 CB SER A 94 11.219 2.805 -8.211 1.00 0.00 C ATOM 1259 OG SER A 94 12.290 2.236 -7.462 1.00 0.00 O ATOM 0 H SER A 94 8.935 1.787 -8.585 1.00 0.00 H new ATOM 0 HA SER A 94 10.284 2.940 -6.296 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.937 2.125 -9.015 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.556 3.730 -8.680 1.00 0.00 H new ATOM 0 HG SER A 94 11.931 1.784 -6.670 1.00 0.00 H new ATOM 1265 N GLU A 95 8.647 4.728 -8.481 1.00 0.00 N ATOM 1266 CA GLU A 95 8.124 6.053 -8.768 1.00 0.00 C ATOM 1267 C GLU A 95 7.193 6.512 -7.645 1.00 0.00 C ATOM 1268 O GLU A 95 6.980 7.709 -7.460 1.00 0.00 O ATOM 1269 CB GLU A 95 7.407 6.078 -10.120 1.00 0.00 C ATOM 1270 CG GLU A 95 8.093 7.046 -11.087 1.00 0.00 C ATOM 1271 CD GLU A 95 7.171 7.400 -12.255 1.00 0.00 C ATOM 1272 OE1 GLU A 95 6.236 8.195 -12.019 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.421 6.867 -13.357 1.00 0.00 O ATOM 0 H GLU A 95 8.272 3.984 -9.070 1.00 0.00 H new ATOM 0 HA GLU A 95 8.962 6.748 -8.825 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.397 5.076 -10.549 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.368 6.375 -9.979 1.00 0.00 H new ATOM 0 HG2 GLU A 95 8.379 7.954 -10.556 1.00 0.00 H new ATOM 0 HG3 GLU A 95 9.011 6.597 -11.467 1.00 0.00 H new ATOM 1280 N GLU A 96 6.662 5.535 -6.924 1.00 0.00 N ATOM 1281 CA GLU A 96 5.758 5.823 -5.823 1.00 0.00 C ATOM 1282 C GLU A 96 6.527 6.436 -4.651 1.00 0.00 C ATOM 1283 O GLU A 96 6.040 7.358 -3.998 1.00 0.00 O ATOM 1284 CB GLU A 96 5.006 4.564 -5.387 1.00 0.00 C ATOM 1285 CG GLU A 96 4.160 4.007 -6.533 1.00 0.00 C ATOM 1286 CD GLU A 96 2.866 4.806 -6.699 1.00 0.00 C ATOM 1287 OE1 GLU A 96 2.967 6.052 -6.717 1.00 0.00 O ATOM 1288 OE2 GLU A 96 1.805 4.154 -6.804 1.00 0.00 O ATOM 0 H GLU A 96 6.841 4.543 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 96 5.019 6.547 -6.166 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.717 3.808 -5.054 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.365 4.795 -4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.732 4.038 -7.460 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.923 2.961 -6.340 1.00 0.00 H new ATOM 1295 N LEU A 97 7.716 5.900 -4.420 1.00 0.00 N ATOM 1296 CA LEU A 97 8.558 6.382 -3.338 1.00 0.00 C ATOM 1297 C LEU A 97 9.617 7.329 -3.905 1.00 0.00 C ATOM 1298 O LEU A 97 10.522 7.755 -3.189 1.00 0.00 O ATOM 1299 CB LEU A 97 9.141 5.209 -2.549 1.00 0.00 C ATOM 1300 CG LEU A 97 8.182 4.052 -2.260 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.863 2.703 -2.500 1.00 0.00 C ATOM 1302 CD2 LEU A 97 7.603 4.159 -0.848 1.00 0.00 C ATOM 0 H LEU A 97 8.117 5.136 -4.964 1.00 0.00 H new ATOM 0 HA LEU A 97 7.968 6.955 -2.623 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.997 4.817 -3.099 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.519 5.588 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 97 7.346 4.119 -2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.160 1.898 -2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.186 2.638 -3.539 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.729 2.611 -1.845 1.00 0.00 H new ATOM 0 HD21 LEU A 97 6.925 3.325 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.413 4.131 -0.119 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.058 5.098 -0.749 1.00 0.00 H new ATOM 1314 N ALA A 98 9.470 7.632 -5.187 1.00 0.00 N ATOM 1315 CA ALA A 98 10.403 8.521 -5.858 1.00 0.00 C ATOM 1316 C ALA A 98 9.636 9.704 -6.451 1.00 0.00 C ATOM 1317 O ALA A 98 9.891 10.108 -7.584 1.00 0.00 O ATOM 1318 CB ALA A 98 11.179 7.739 -6.919 1.00 0.00 C ATOM 0 H ALA A 98 8.719 7.277 -5.779 1.00 0.00 H new ATOM 0 HA ALA A 98 11.130 8.920 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.879 8.406 -7.423 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.729 6.927 -6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.482 7.326 -7.649 1.00 0.00 H new ATOM 1324 N GLY A 99 8.712 10.227 -5.658 1.00 0.00 N ATOM 1325 CA GLY A 99 7.907 11.357 -6.090 1.00 0.00 C ATOM 1326 C GLY A 99 6.829 11.688 -5.056 1.00 0.00 C ATOM 1327 O GLY A 99 6.975 12.633 -4.283 1.00 0.00 O ATOM 0 H GLY A 99 8.503 9.889 -4.719 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.547 12.226 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.440 11.130 -7.048 1.00 0.00 H new ATOM 1331 N PRO A 100 5.741 10.872 -5.077 1.00 0.00 N ATOM 1332 CA PRO A 100 4.639 11.069 -4.151 1.00 0.00 C ATOM 1333 C PRO A 100 5.012 10.594 -2.745 1.00 0.00 C ATOM 1334 O PRO A 100 5.303 11.406 -1.869 1.00 0.00 O ATOM 1335 CB PRO A 100 3.478 10.294 -4.752 1.00 0.00 C ATOM 1336 CG PRO A 100 4.095 9.316 -5.739 1.00 0.00 C ATOM 1337 CD PRO A 100 5.534 9.743 -5.979 1.00 0.00 C ATOM 0 HA PRO A 100 4.377 12.120 -4.026 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.918 9.768 -3.979 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.778 10.964 -5.252 1.00 0.00 H new ATOM 0 HG2 PRO A 100 4.059 8.301 -5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.536 9.314 -6.675 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.229 8.931 -5.764 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.693 10.032 -7.018 1.00 0.00 H new ATOM 1345 N VAL A 101 4.991 9.280 -2.574 1.00 0.00 N ATOM 1346 CA VAL A 101 5.323 8.688 -1.290 1.00 0.00 C ATOM 1347 C VAL A 101 6.784 8.995 -0.954 1.00 0.00 C ATOM 1348 O VAL A 101 7.647 8.962 -1.831 1.00 0.00 O ATOM 1349 CB VAL A 101 5.017 7.189 -1.311 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.083 6.596 0.099 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.658 6.916 -1.957 1.00 0.00 C ATOM 0 H VAL A 101 4.749 8.609 -3.303 1.00 0.00 H new ATOM 0 HA VAL A 101 4.710 9.121 -0.500 1.00 0.00 H new ATOM 0 HB VAL A 101 5.780 6.700 -1.916 1.00 0.00 H new ATOM 0 HG11 VAL A 101 4.862 5.530 0.056 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.082 6.743 0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.352 7.093 0.737 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.465 5.843 -1.959 1.00 0.00 H new ATOM 0 HG22 VAL A 101 2.877 7.424 -1.391 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.662 7.286 -2.982 1.00 0.00 H new ATOM 1361 N HIS A 102 7.017 9.286 0.317 1.00 0.00 N ATOM 1362 CA HIS A 102 8.359 9.598 0.780 1.00 0.00 C ATOM 1363 C HIS A 102 8.861 8.478 1.693 1.00 0.00 C ATOM 1364 O HIS A 102 9.932 7.918 1.463 1.00 0.00 O ATOM 1365 CB HIS A 102 8.395 10.972 1.452 1.00 0.00 C ATOM 1366 CG HIS A 102 8.156 12.125 0.507 1.00 0.00 C ATOM 1367 ND1 HIS A 102 7.712 12.143 -0.783 1.00 0.00 N flip ATOM 1368 CD2 HIS A 102 8.379 13.444 0.861 1.00 0.00 C flip ATOM 1369 CE1 HIS A 102 7.665 13.404 -1.193 1.00 0.00 C flip ATOM 1370 NE2 HIS A 102 8.078 14.212 -0.175 1.00 0.00 N flip ATOM 0 H HIS A 102 6.299 9.312 1.041 1.00 0.00 H new ATOM 0 HA HIS A 102 9.037 9.656 -0.071 1.00 0.00 H new ATOM 0 HB2 HIS A 102 7.642 10.999 2.240 1.00 0.00 H new ATOM 0 HB3 HIS A 102 9.364 11.105 1.933 1.00 0.00 H new ATOM 0 HD2 HIS A 102 8.738 13.789 1.820 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.351 13.736 -2.172 1.00 0.00 H new ATOM 0 HE2 HIS A 102 8.144 15.229 -0.206 1.00 0.00 H new ATOM 1378 N ALA A 103 8.063 8.184 2.709 1.00 0.00 N ATOM 1379 CA ALA A 103 8.413 7.141 3.658 1.00 0.00 C ATOM 1380 C ALA A 103 7.212 6.214 3.857 1.00 0.00 C ATOM 1381 O ALA A 103 6.262 6.566 4.555 1.00 0.00 O ATOM 1382 CB ALA A 103 8.882 7.778 4.968 1.00 0.00 C ATOM 0 H ALA A 103 7.175 8.650 2.896 1.00 0.00 H new ATOM 0 HA ALA A 103 9.236 6.536 3.277 1.00 0.00 H new ATOM 0 HB1 ALA A 103 9.144 6.995 5.680 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.755 8.402 4.777 1.00 0.00 H new ATOM 0 HB3 ALA A 103 8.081 8.391 5.382 1.00 0.00 H new ATOM 1388 N LEU A 104 7.294 5.050 3.231 1.00 0.00 N ATOM 1389 CA LEU A 104 6.225 4.070 3.331 1.00 0.00 C ATOM 1390 C LEU A 104 6.754 2.813 4.024 1.00 0.00 C ATOM 1391 O LEU A 104 7.693 2.183 3.541 1.00 0.00 O ATOM 1392 CB LEU A 104 5.614 3.802 1.954 1.00 0.00 C ATOM 1393 CG LEU A 104 5.137 2.371 1.698 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.039 1.974 2.687 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.693 2.192 0.245 1.00 0.00 C ATOM 0 H LEU A 104 8.084 4.763 2.653 1.00 0.00 H new ATOM 0 HA LEU A 104 5.412 4.455 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.768 4.476 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.353 4.059 1.195 1.00 0.00 H new ATOM 0 HG LEU A 104 5.977 1.696 1.862 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.718 0.953 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.426 2.037 3.704 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.190 2.650 2.579 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.359 1.166 0.090 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.874 2.877 0.028 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.530 2.405 -0.420 1.00 0.00 H new ATOM 1407 N ALA A 105 6.128 2.486 5.145 1.00 0.00 N ATOM 1408 CA ALA A 105 6.524 1.316 5.909 1.00 0.00 C ATOM 1409 C ALA A 105 5.960 0.060 5.240 1.00 0.00 C ATOM 1410 O ALA A 105 4.789 -0.271 5.419 1.00 0.00 O ATOM 1411 CB ALA A 105 6.051 1.467 7.356 1.00 0.00 C ATOM 0 H ALA A 105 5.349 3.011 5.542 1.00 0.00 H new ATOM 0 HA ALA A 105 7.610 1.220 5.929 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.348 0.589 7.929 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.502 2.357 7.795 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.965 1.563 7.376 1.00 0.00 H new ATOM 1417 N ILE A 106 6.820 -0.605 4.483 1.00 0.00 N ATOM 1418 CA ILE A 106 6.423 -1.816 3.786 1.00 0.00 C ATOM 1419 C ILE A 106 6.596 -3.016 4.720 1.00 0.00 C ATOM 1420 O ILE A 106 7.565 -3.086 5.474 1.00 0.00 O ATOM 1421 CB ILE A 106 7.185 -1.950 2.466 1.00 0.00 C ATOM 1422 CG1 ILE A 106 7.095 -0.659 1.649 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.700 -3.165 1.673 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.626 -0.871 0.229 1.00 0.00 C ATOM 0 H ILE A 106 7.791 -0.328 4.337 1.00 0.00 H new ATOM 0 HA ILE A 106 5.368 -1.771 3.515 1.00 0.00 H new ATOM 0 HB ILE A 106 8.238 -2.115 2.694 1.00 0.00 H new ATOM 0 HG12 ILE A 106 6.059 -0.322 1.607 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.667 0.128 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 106 7.258 -3.237 0.739 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.858 -4.070 2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.638 -3.056 1.453 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.551 0.061 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.669 -1.184 0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 106 7.037 -1.641 -0.269 1.00 0.00 H new ATOM 1436 N GLN A 107 5.641 -3.931 4.638 1.00 0.00 N ATOM 1437 CA GLN A 107 5.675 -5.125 5.466 1.00 0.00 C ATOM 1438 C GLN A 107 5.795 -6.374 4.591 1.00 0.00 C ATOM 1439 O GLN A 107 4.794 -6.883 4.089 1.00 0.00 O ATOM 1440 CB GLN A 107 4.441 -5.202 6.367 1.00 0.00 C ATOM 1441 CG GLN A 107 4.837 -5.513 7.813 1.00 0.00 C ATOM 1442 CD GLN A 107 3.856 -4.874 8.798 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.271 -3.834 8.546 1.00 0.00 O ATOM 1444 NE2 GLN A 107 3.711 -5.553 9.933 1.00 0.00 N ATOM 0 H GLN A 107 4.839 -3.870 4.011 1.00 0.00 H new ATOM 0 HA GLN A 107 6.552 -5.072 6.111 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.899 -4.257 6.330 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.764 -5.972 5.998 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.859 -6.592 7.964 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.844 -5.144 8.006 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.231 -6.418 10.080 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.079 -5.209 10.656 1.00 0.00 H new ATOM 1453 N ALA A 108 7.028 -6.833 4.436 1.00 0.00 N ATOM 1454 CA ALA A 108 7.292 -8.013 3.631 1.00 0.00 C ATOM 1455 C ALA A 108 7.340 -9.244 4.538 1.00 0.00 C ATOM 1456 O ALA A 108 8.228 -9.363 5.382 1.00 0.00 O ATOM 1457 CB ALA A 108 8.590 -7.817 2.845 1.00 0.00 C ATOM 0 H ALA A 108 7.856 -6.409 4.855 1.00 0.00 H new ATOM 0 HA ALA A 108 6.493 -8.168 2.906 1.00 0.00 H new ATOM 0 HB1 ALA A 108 8.787 -8.703 2.241 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.493 -6.948 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.416 -7.660 3.539 1.00 0.00 H new ATOM 1463 N LYS A 109 6.376 -10.129 4.334 1.00 0.00 N ATOM 1464 CA LYS A 109 6.297 -11.346 5.124 1.00 0.00 C ATOM 1465 C LYS A 109 6.094 -12.542 4.191 1.00 0.00 C ATOM 1466 O LYS A 109 6.040 -12.381 2.972 1.00 0.00 O ATOM 1467 CB LYS A 109 5.219 -11.217 6.202 1.00 0.00 C ATOM 1468 CG LYS A 109 5.407 -9.934 7.014 1.00 0.00 C ATOM 1469 CD LYS A 109 5.510 -10.242 8.509 1.00 0.00 C ATOM 1470 CE LYS A 109 5.310 -8.977 9.345 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.717 -9.212 10.748 1.00 0.00 N ATOM 0 H LYS A 109 5.642 -10.028 3.633 1.00 0.00 H new ATOM 0 HA LYS A 109 7.231 -11.514 5.660 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.233 -11.216 5.737 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.258 -12.081 6.866 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.308 -9.418 6.682 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.569 -9.260 6.835 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.761 -10.985 8.783 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.485 -10.676 8.728 1.00 0.00 H new ATOM 0 HE2 LYS A 109 5.894 -8.159 8.923 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.264 -8.673 9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.575 -8.343 11.301 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 5.142 -9.978 11.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.721 -9.481 10.778 1.00 0.00 H new ATOM 1485 N THR A 110 5.987 -13.714 4.798 1.00 0.00 N ATOM 1486 CA THR A 110 5.790 -14.936 4.037 1.00 0.00 C ATOM 1487 C THR A 110 4.462 -15.594 4.418 1.00 0.00 C ATOM 1488 O THR A 110 3.871 -15.260 5.443 1.00 0.00 O ATOM 1489 CB THR A 110 7.004 -15.838 4.270 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.344 -15.617 5.636 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.239 -15.370 3.498 1.00 0.00 C ATOM 0 H THR A 110 6.033 -13.844 5.809 1.00 0.00 H new ATOM 0 HA THR A 110 5.719 -14.730 2.969 1.00 0.00 H new ATOM 0 HB THR A 110 6.759 -16.859 3.977 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.258 -15.269 5.693 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.071 -16.045 3.699 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.022 -15.370 2.430 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.505 -14.361 3.814 1.00 0.00 H new ATOM 1499 N PRO A 111 4.021 -16.542 3.548 1.00 0.00 N ATOM 1500 CA PRO A 111 2.774 -17.250 3.783 1.00 0.00 C ATOM 1501 C PRO A 111 2.935 -18.292 4.892 1.00 0.00 C ATOM 1502 O PRO A 111 1.987 -19.003 5.223 1.00 0.00 O ATOM 1503 CB PRO A 111 2.411 -17.863 2.440 1.00 0.00 C ATOM 1504 CG PRO A 111 3.694 -17.869 1.624 1.00 0.00 C ATOM 1505 CD PRO A 111 4.695 -16.964 2.324 1.00 0.00 C ATOM 0 HA PRO A 111 1.978 -16.594 4.135 1.00 0.00 H new ATOM 0 HB2 PRO A 111 2.022 -18.874 2.564 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.634 -17.282 1.943 1.00 0.00 H new ATOM 0 HG2 PRO A 111 4.088 -18.882 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.504 -17.516 0.610 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.621 -17.494 2.545 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.958 -16.109 1.702 1.00 0.00 H new ATOM 1513 N ALA A 112 4.142 -18.350 5.435 1.00 0.00 N ATOM 1514 CA ALA A 112 4.439 -19.293 6.499 1.00 0.00 C ATOM 1515 C ALA A 112 4.605 -18.533 7.817 1.00 0.00 C ATOM 1516 O ALA A 112 4.602 -19.134 8.889 1.00 0.00 O ATOM 1517 CB ALA A 112 5.685 -20.101 6.132 1.00 0.00 C ATOM 0 H ALA A 112 4.926 -17.759 5.158 1.00 0.00 H new ATOM 0 HA ALA A 112 3.618 -19.999 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.908 -20.809 6.930 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.506 -20.645 5.205 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.530 -19.426 5.999 1.00 0.00 H new ATOM 1523 N GLN A 113 4.745 -17.221 7.693 1.00 0.00 N ATOM 1524 CA GLN A 113 4.911 -16.372 8.860 1.00 0.00 C ATOM 1525 C GLN A 113 3.603 -15.643 9.177 1.00 0.00 C ATOM 1526 O GLN A 113 3.281 -15.417 10.342 1.00 0.00 O ATOM 1527 CB GLN A 113 6.057 -15.379 8.657 1.00 0.00 C ATOM 1528 CG GLN A 113 7.402 -16.104 8.575 1.00 0.00 C ATOM 1529 CD GLN A 113 8.143 -16.039 9.912 1.00 0.00 C ATOM 1530 OE1 GLN A 113 8.169 -15.024 10.588 1.00 0.00 O ATOM 1531 NE2 GLN A 113 8.742 -17.176 10.255 1.00 0.00 N ATOM 0 H GLN A 113 4.747 -16.725 6.802 1.00 0.00 H new ATOM 0 HA GLN A 113 5.167 -17.003 9.711 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.891 -14.808 7.743 1.00 0.00 H new ATOM 0 HB3 GLN A 113 6.074 -14.665 9.480 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.241 -17.145 8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 113 8.014 -15.654 7.794 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.681 -17.990 9.643 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.262 -17.234 11.130 1.00 0.00 H new ATOM 1540 N TRP A 114 2.886 -15.295 8.119 1.00 0.00 N ATOM 1541 CA TRP A 114 1.621 -14.596 8.269 1.00 0.00 C ATOM 1542 C TRP A 114 0.678 -15.493 9.073 1.00 0.00 C ATOM 1543 O TRP A 114 -0.115 -15.004 9.877 1.00 0.00 O ATOM 1544 CB TRP A 114 1.050 -14.196 6.907 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.324 -13.528 6.981 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.529 -14.106 6.879 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.588 -12.123 7.177 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.546 -13.179 6.995 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.955 -11.935 7.182 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.300 -11.045 7.344 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.556 -10.682 7.351 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.316 -9.800 7.512 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.691 -9.594 7.519 1.00 0.00 C ATOM 0 H TRP A 114 3.157 -15.484 7.154 1.00 0.00 H new ATOM 0 HA TRP A 114 1.759 -13.661 8.812 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.747 -13.516 6.418 1.00 0.00 H new ATOM 0 HB3 TRP A 114 0.978 -15.084 6.280 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.685 -15.164 6.725 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.547 -13.372 6.951 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.373 -11.169 7.343 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.629 -10.561 7.352 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.321 -8.938 7.646 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.090 -8.599 7.653 1.00 0.00 H new ATOM 1564 N ARG A 115 0.795 -16.790 8.829 1.00 0.00 N ATOM 1565 CA ARG A 115 -0.037 -17.760 9.521 1.00 0.00 C ATOM 1566 C ARG A 115 0.206 -17.687 11.030 1.00 0.00 C ATOM 1567 O ARG A 115 -0.738 -17.746 11.817 1.00 0.00 O ATOM 1568 CB ARG A 115 0.251 -19.181 9.032 1.00 0.00 C ATOM 1569 CG ARG A 115 0.081 -19.284 7.515 1.00 0.00 C ATOM 1570 CD ARG A 115 0.335 -20.713 7.031 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.702 -21.622 7.569 1.00 0.00 N ATOM 1572 CZ ARG A 115 -0.628 -22.223 8.764 1.00 0.00 C ATOM 1573 NH1 ARG A 115 0.434 -22.016 9.553 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -1.617 -23.031 9.169 1.00 0.00 N ATOM 0 H ARG A 115 1.453 -17.192 8.162 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.078 -17.518 9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.266 -19.465 9.308 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.422 -19.883 9.525 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -0.927 -18.976 7.237 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.772 -18.601 7.021 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.327 -20.743 5.941 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.323 -21.044 7.352 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.525 -21.802 6.994 1.00 0.00 H new ATOM 0 HH11 ARG A 115 1.187 -21.401 9.244 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.490 -22.474 10.463 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.426 -23.188 8.568 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.561 -23.489 10.079 1.00 0.00 H new ATOM 1588 N GLU A 116 1.475 -17.561 11.387 1.00 0.00 N ATOM 1589 CA GLU A 116 1.853 -17.480 12.788 1.00 0.00 C ATOM 1590 C GLU A 116 1.259 -16.223 13.426 1.00 0.00 C ATOM 1591 O GLU A 116 0.620 -16.298 14.475 1.00 0.00 O ATOM 1592 CB GLU A 116 3.375 -17.509 12.947 1.00 0.00 C ATOM 1593 CG GLU A 116 3.879 -18.941 13.137 1.00 0.00 C ATOM 1594 CD GLU A 116 5.309 -18.951 13.681 1.00 0.00 C ATOM 1595 OE1 GLU A 116 5.535 -18.258 14.697 1.00 0.00 O ATOM 1596 OE2 GLU A 116 6.144 -19.652 13.069 1.00 0.00 O ATOM 0 H GLU A 116 2.255 -17.513 10.731 1.00 0.00 H new ATOM 0 HA GLU A 116 1.450 -18.351 13.304 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.845 -17.068 12.068 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.667 -16.900 13.803 1.00 0.00 H new ATOM 0 HG2 GLU A 116 3.221 -19.474 13.824 1.00 0.00 H new ATOM 0 HG3 GLU A 116 3.844 -19.472 12.186 1.00 0.00 H new ATOM 1603 N ASN A 117 1.491 -15.097 12.768 1.00 0.00 N ATOM 1604 CA ASN A 117 0.987 -13.826 13.258 1.00 0.00 C ATOM 1605 C ASN A 117 0.512 -12.980 12.075 1.00 0.00 C ATOM 1606 O ASN A 117 1.238 -12.110 11.597 1.00 0.00 O ATOM 1607 CB ASN A 117 2.080 -13.044 13.989 1.00 0.00 C ATOM 1608 CG ASN A 117 1.480 -11.911 14.824 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.971 -12.111 15.915 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.567 -10.714 14.252 1.00 0.00 N ATOM 0 H ASN A 117 2.022 -15.039 11.899 1.00 0.00 H new ATOM 0 HA ASN A 117 0.168 -14.032 13.948 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.643 -13.717 14.635 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.784 -12.633 13.265 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.195 -9.893 14.729 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.006 -10.617 13.336 1.00 0.00 H new ATOM 1617 N PRO A 118 -0.738 -13.272 11.624 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.319 -12.549 10.506 1.00 0.00 C ATOM 1619 C PRO A 118 -1.762 -11.148 10.931 1.00 0.00 C ATOM 1620 O PRO A 118 -2.227 -10.363 10.105 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.471 -13.418 10.031 1.00 0.00 C ATOM 1622 CG PRO A 118 -2.784 -14.361 11.182 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.627 -14.296 12.165 1.00 0.00 C ATOM 0 HA PRO A 118 -0.607 -12.380 9.698 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.339 -12.810 9.777 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.197 -13.974 9.134 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -3.716 -14.073 11.669 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -2.917 -15.379 10.816 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -1.971 -14.033 13.165 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.121 -15.258 12.245 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.604 -10.876 12.218 1.00 0.00 N ATOM 1632 CA GLN A 119 -1.982 -9.583 12.762 1.00 0.00 C ATOM 1633 C GLN A 119 -0.887 -8.551 12.489 1.00 0.00 C ATOM 1634 O GLN A 119 0.255 -8.726 12.911 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.279 -9.684 14.260 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.475 -10.602 14.521 1.00 0.00 C ATOM 1637 CD GLN A 119 -3.138 -11.654 15.580 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -2.159 -12.376 15.486 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -4.000 -11.699 16.592 1.00 0.00 N ATOM 0 H GLN A 119 -1.219 -11.529 12.900 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.895 -9.255 12.265 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.402 -10.065 14.783 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -2.483 -8.692 14.662 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.328 -10.009 14.851 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -3.769 -11.095 13.594 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.800 -11.066 16.609 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -3.861 -12.367 17.351 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.273 -7.498 11.784 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.338 -6.437 11.449 1.00 0.00 C ATOM 1650 C LEU A 120 -0.283 -5.430 12.599 1.00 0.00 C ATOM 1651 O LEU A 120 -1.149 -5.431 13.472 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.698 -5.812 10.100 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.494 -6.701 8.872 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.354 -6.224 7.700 1.00 0.00 C ATOM 1655 CD2 LEU A 120 0.987 -6.788 8.498 1.00 0.00 C ATOM 0 H LEU A 120 -2.221 -7.357 11.435 1.00 0.00 H new ATOM 0 HA LEU A 120 0.668 -6.839 11.329 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.743 -5.505 10.132 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -0.104 -4.907 9.971 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.823 -7.710 9.123 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.190 -6.873 6.840 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.406 -6.257 7.984 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -1.080 -5.202 7.440 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.104 -7.426 7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.365 -5.790 8.274 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.549 -7.210 9.332 1.00 0.00 H new