USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 ASN : amide:sc= -0.0559 K(o=-0.093,f=-1.1) USER MOD Set 1.2: A 119 GLN : amide:sc= -0.0369 X(o=-0.093,f=-0.051) USER MOD Set 2.1: A 81 SER OG : rot 180:sc= 0.0595 USER MOD Set 2.2: A 84 GLN : amide:sc= 0 X(o=0.06,f=0.06) USER MOD Set 3.1: A 66 THR OG1 : rot 159:sc= -0.125 USER MOD Set 3.2: A 67 HIS : no HD1:sc= 0 X(o=-5.4,f=-5.7) USER MOD Set 3.3: A 102 HIS : no HD1:sc= -5.24! C(o=-5.4!,f=-8.3!) 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=-0.24) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 150:sc= -1.91! USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 80 MET CE :methyl -107:sc= -4.51! (180deg=-12.7!) USER MOD Single : A 86 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.039) USER MOD Single : A 90 HIS :FLIP no HD1:sc= -2.24 F(o=-3.4,f=-2.2) USER MOD Single : A 94 SER OG : rot 51:sc= 1.17 USER MOD Single : A 107 GLN : amide:sc= -2.09 K(o=-2.1,f=-2.7!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 THR OG1 : rot -140:sc= -0.697 USER MOD Single : A 113 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 301 N VAL A 32 -3.183 6.407 -6.086 1.00 0.00 N ATOM 302 CA VAL A 32 -1.790 6.050 -5.875 1.00 0.00 C ATOM 303 C VAL A 32 -1.716 4.735 -5.098 1.00 0.00 C ATOM 304 O VAL A 32 -1.218 3.734 -5.610 1.00 0.00 O ATOM 305 CB VAL A 32 -1.056 7.198 -5.179 1.00 0.00 C ATOM 306 CG1 VAL A 32 0.369 6.788 -4.800 1.00 0.00 C ATOM 307 CG2 VAL A 32 -1.051 8.455 -6.051 1.00 0.00 C ATOM 0 HA VAL A 32 -1.288 5.891 -6.829 1.00 0.00 H new ATOM 0 HB VAL A 32 -1.594 7.430 -4.260 1.00 0.00 H new ATOM 0 HG11 VAL A 32 0.869 7.622 -4.307 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.334 5.934 -4.123 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.921 6.515 -5.700 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.523 9.255 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -0.549 8.241 -6.995 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -2.077 8.765 -6.248 1.00 0.00 H new ATOM 317 N GLU A 33 -2.220 4.779 -3.873 1.00 0.00 N ATOM 318 CA GLU A 33 -2.218 3.603 -3.020 1.00 0.00 C ATOM 319 C GLU A 33 -2.718 2.383 -3.796 1.00 0.00 C ATOM 320 O GLU A 33 -2.044 1.356 -3.848 1.00 0.00 O ATOM 321 CB GLU A 33 -3.058 3.836 -1.763 1.00 0.00 C ATOM 322 CG GLU A 33 -2.999 2.623 -0.832 1.00 0.00 C ATOM 323 CD GLU A 33 -4.177 2.624 0.145 1.00 0.00 C ATOM 324 OE1 GLU A 33 -4.293 3.618 0.893 1.00 0.00 O ATOM 325 OE2 GLU A 33 -4.935 1.630 0.120 1.00 0.00 O ATOM 0 H GLU A 33 -2.633 5.611 -3.451 1.00 0.00 H new ATOM 0 HA GLU A 33 -1.193 3.411 -2.702 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -2.696 4.720 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.093 4.033 -2.044 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.012 1.706 -1.422 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.061 2.632 -0.277 1.00 0.00 H new ATOM 332 N ALA A 34 -3.898 2.537 -4.380 1.00 0.00 N ATOM 333 CA ALA A 34 -4.497 1.461 -5.151 1.00 0.00 C ATOM 334 C ALA A 34 -3.459 0.898 -6.125 1.00 0.00 C ATOM 335 O ALA A 34 -3.250 -0.313 -6.183 1.00 0.00 O ATOM 336 CB ALA A 34 -5.746 1.979 -5.866 1.00 0.00 C ATOM 0 H ALA A 34 -4.455 3.390 -4.334 1.00 0.00 H new ATOM 0 HA ALA A 34 -4.810 0.648 -4.496 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.195 1.172 -6.444 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -6.463 2.340 -5.129 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.471 2.795 -6.535 1.00 0.00 H new ATOM 342 N ALA A 35 -2.837 1.803 -6.865 1.00 0.00 N ATOM 343 CA ALA A 35 -1.827 1.412 -7.834 1.00 0.00 C ATOM 344 C ALA A 35 -0.713 0.645 -7.119 1.00 0.00 C ATOM 345 O ALA A 35 -0.307 -0.427 -7.567 1.00 0.00 O ATOM 346 CB ALA A 35 -1.307 2.655 -8.559 1.00 0.00 C ATOM 0 H ALA A 35 -3.013 2.806 -6.813 1.00 0.00 H new ATOM 0 HA ALA A 35 -2.253 0.750 -8.588 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.549 2.362 -9.286 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -2.132 3.148 -9.073 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -0.869 3.342 -7.835 1.00 0.00 H new ATOM 352 N ILE A 36 -0.249 1.224 -6.021 1.00 0.00 N ATOM 353 CA ILE A 36 0.811 0.608 -5.241 1.00 0.00 C ATOM 354 C ILE A 36 0.458 -0.858 -4.977 1.00 0.00 C ATOM 355 O ILE A 36 1.324 -1.729 -5.037 1.00 0.00 O ATOM 356 CB ILE A 36 1.078 1.415 -3.969 1.00 0.00 C ATOM 357 CG1 ILE A 36 1.580 2.820 -4.307 1.00 0.00 C ATOM 358 CG2 ILE A 36 2.039 0.671 -3.039 1.00 0.00 C ATOM 359 CD1 ILE A 36 1.982 3.578 -3.040 1.00 0.00 C ATOM 0 H ILE A 36 -0.588 2.113 -5.653 1.00 0.00 H new ATOM 0 HA ILE A 36 1.748 0.615 -5.798 1.00 0.00 H new ATOM 0 HB ILE A 36 0.136 1.530 -3.433 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.434 2.753 -4.981 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.801 3.372 -4.833 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.212 1.266 -2.143 1.00 0.00 H new ATOM 0 HG22 ILE A 36 1.604 -0.289 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.986 0.505 -3.552 1.00 0.00 H new ATOM 0 HD11 ILE A 36 2.335 4.574 -3.308 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.120 3.665 -2.379 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.778 3.036 -2.529 1.00 0.00 H new ATOM 371 N ARG A 37 -0.816 -1.084 -4.689 1.00 0.00 N ATOM 372 CA ARG A 37 -1.294 -2.428 -4.415 1.00 0.00 C ATOM 373 C ARG A 37 -1.522 -3.187 -5.724 1.00 0.00 C ATOM 374 O ARG A 37 -0.871 -4.199 -5.980 1.00 0.00 O ATOM 375 CB ARG A 37 -2.600 -2.397 -3.618 1.00 0.00 C ATOM 376 CG ARG A 37 -2.833 -3.725 -2.895 1.00 0.00 C ATOM 377 CD ARG A 37 -4.281 -4.190 -3.056 1.00 0.00 C ATOM 378 NE ARG A 37 -4.934 -4.280 -1.730 1.00 0.00 N ATOM 379 CZ ARG A 37 -5.234 -3.220 -0.967 1.00 0.00 C ATOM 380 NH1 ARG A 37 -4.943 -1.984 -1.393 1.00 0.00 N ATOM 381 NH2 ARG A 37 -5.826 -3.397 0.222 1.00 0.00 N ATOM 0 H ARG A 37 -1.531 -0.359 -4.640 1.00 0.00 H new ATOM 0 HA ARG A 37 -0.533 -2.936 -3.823 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.568 -1.584 -2.892 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -3.435 -2.193 -4.289 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -2.158 -4.483 -3.292 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -2.599 -3.613 -1.836 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -4.827 -3.494 -3.693 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -4.307 -5.161 -3.550 1.00 0.00 H new ATOM 0 HE ARG A 37 -5.170 -5.207 -1.375 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -4.493 -1.849 -2.298 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -5.171 -1.177 -0.812 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -6.048 -4.338 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -6.054 -2.590 0.803 1.00 0.00 H new ATOM 395 N ALA A 38 -2.447 -2.670 -6.518 1.00 0.00 N ATOM 396 CA ALA A 38 -2.769 -3.286 -7.794 1.00 0.00 C ATOM 397 C ALA A 38 -1.478 -3.757 -8.467 1.00 0.00 C ATOM 398 O ALA A 38 -1.460 -4.799 -9.121 1.00 0.00 O ATOM 399 CB ALA A 38 -3.548 -2.293 -8.659 1.00 0.00 C ATOM 0 H ALA A 38 -2.985 -1.830 -6.302 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.404 -4.160 -7.649 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -3.789 -2.755 -9.616 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.469 -2.011 -8.149 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -2.941 -1.404 -8.829 1.00 0.00 H new ATOM 405 N LYS A 39 -0.430 -2.968 -8.284 1.00 0.00 N ATOM 406 CA LYS A 39 0.861 -3.291 -8.866 1.00 0.00 C ATOM 407 C LYS A 39 1.436 -4.524 -8.166 1.00 0.00 C ATOM 408 O LYS A 39 1.500 -5.603 -8.753 1.00 0.00 O ATOM 409 CB LYS A 39 1.787 -2.074 -8.826 1.00 0.00 C ATOM 410 CG LYS A 39 1.386 -1.046 -9.886 1.00 0.00 C ATOM 411 CD LYS A 39 2.462 -0.923 -10.966 1.00 0.00 C ATOM 412 CE LYS A 39 2.028 0.047 -12.066 1.00 0.00 C ATOM 413 NZ LYS A 39 2.123 -0.599 -13.395 1.00 0.00 N ATOM 0 H LYS A 39 -0.449 -2.105 -7.740 1.00 0.00 H new ATOM 0 HA LYS A 39 0.751 -3.544 -9.921 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.750 -1.616 -7.838 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.817 -2.390 -8.992 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.440 -1.339 -10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 39 1.226 -0.076 -9.415 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.394 -0.577 -10.518 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.661 -1.903 -11.399 1.00 0.00 H new ATOM 0 HE2 LYS A 39 1.004 0.374 -11.887 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.656 0.937 -12.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.825 0.074 -14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.106 -0.890 -13.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.505 -1.435 -13.420 1.00 0.00 H new ATOM 427 N LEU A 40 1.841 -4.323 -6.920 1.00 0.00 N ATOM 428 CA LEU A 40 2.408 -5.405 -6.133 1.00 0.00 C ATOM 429 C LEU A 40 1.495 -6.629 -6.223 1.00 0.00 C ATOM 430 O LEU A 40 1.941 -7.757 -6.021 1.00 0.00 O ATOM 431 CB LEU A 40 2.677 -4.942 -4.700 1.00 0.00 C ATOM 432 CG LEU A 40 3.703 -3.818 -4.539 1.00 0.00 C ATOM 433 CD1 LEU A 40 3.799 -3.368 -3.080 1.00 0.00 C ATOM 434 CD2 LEU A 40 5.063 -4.233 -5.102 1.00 0.00 C ATOM 0 H LEU A 40 1.788 -3.427 -6.436 1.00 0.00 H new ATOM 0 HA LEU A 40 3.377 -5.700 -6.535 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.735 -4.612 -4.263 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.014 -5.801 -4.119 1.00 0.00 H new ATOM 0 HG LEU A 40 3.363 -2.960 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 40 4.535 -2.569 -2.993 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.827 -3.004 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.103 -4.210 -2.459 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.774 -3.416 -4.975 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.423 -5.114 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.962 -4.465 -6.162 1.00 0.00 H new ATOM 446 N GLU A 41 0.232 -6.364 -6.526 1.00 0.00 N ATOM 447 CA GLU A 41 -0.748 -7.430 -6.645 1.00 0.00 C ATOM 448 C GLU A 41 -0.402 -8.340 -7.826 1.00 0.00 C ATOM 449 O GLU A 41 -0.514 -9.561 -7.727 1.00 0.00 O ATOM 450 CB GLU A 41 -2.161 -6.862 -6.786 1.00 0.00 C ATOM 451 CG GLU A 41 -2.800 -6.634 -5.414 1.00 0.00 C ATOM 452 CD GLU A 41 -4.327 -6.651 -5.511 1.00 0.00 C ATOM 453 OE1 GLU A 41 -4.861 -5.760 -6.206 1.00 0.00 O ATOM 454 OE2 GLU A 41 -4.925 -7.554 -4.887 1.00 0.00 O ATOM 0 H GLU A 41 -0.135 -5.427 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.721 -8.026 -5.733 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -2.125 -5.921 -7.335 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.776 -7.548 -7.368 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.467 -7.407 -4.721 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.468 -5.678 -5.009 1.00 0.00 H new ATOM 461 N GLN A 42 0.010 -7.710 -8.916 1.00 0.00 N ATOM 462 CA GLN A 42 0.372 -8.447 -10.115 1.00 0.00 C ATOM 463 C GLN A 42 1.893 -8.477 -10.280 1.00 0.00 C ATOM 464 O GLN A 42 2.409 -9.110 -11.200 1.00 0.00 O ATOM 465 CB GLN A 42 -0.301 -7.848 -11.351 1.00 0.00 C ATOM 466 CG GLN A 42 0.128 -6.395 -11.560 1.00 0.00 C ATOM 467 CD GLN A 42 -0.334 -5.877 -12.924 1.00 0.00 C ATOM 468 OE1 GLN A 42 -1.350 -6.286 -13.460 1.00 0.00 O ATOM 469 NE2 GLN A 42 0.469 -4.958 -13.453 1.00 0.00 N ATOM 0 H GLN A 42 0.101 -6.697 -8.994 1.00 0.00 H new ATOM 0 HA GLN A 42 0.017 -9.472 -10.009 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.043 -8.437 -12.231 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.384 -7.899 -11.240 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.290 -5.771 -10.770 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.213 -6.318 -11.486 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.305 -4.660 -12.950 1.00 0.00 H new ATOM 0 HE22 GLN A 42 0.249 -4.551 -14.362 1.00 0.00 H new ATOM 478 N ALA A 43 2.569 -7.785 -9.374 1.00 0.00 N ATOM 479 CA ALA A 43 4.020 -7.725 -9.407 1.00 0.00 C ATOM 480 C ALA A 43 4.590 -8.668 -8.346 1.00 0.00 C ATOM 481 O ALA A 43 5.806 -8.779 -8.197 1.00 0.00 O ATOM 482 CB ALA A 43 4.476 -6.278 -9.208 1.00 0.00 C ATOM 0 H ALA A 43 2.138 -7.261 -8.612 1.00 0.00 H new ATOM 0 HA ALA A 43 4.396 -8.054 -10.376 1.00 0.00 H new ATOM 0 HB1 ALA A 43 5.565 -6.233 -9.233 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.069 -5.655 -10.005 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.120 -5.913 -8.245 1.00 0.00 H new ATOM 488 N LEU A 44 3.684 -9.323 -7.635 1.00 0.00 N ATOM 489 CA LEU A 44 4.082 -10.253 -6.591 1.00 0.00 C ATOM 490 C LEU A 44 3.008 -11.333 -6.440 1.00 0.00 C ATOM 491 O LEU A 44 3.322 -12.520 -6.370 1.00 0.00 O ATOM 492 CB LEU A 44 4.386 -9.503 -5.293 1.00 0.00 C ATOM 493 CG LEU A 44 5.561 -8.524 -5.343 1.00 0.00 C ATOM 494 CD1 LEU A 44 5.564 -7.607 -4.119 1.00 0.00 C ATOM 495 CD2 LEU A 44 6.888 -9.268 -5.505 1.00 0.00 C ATOM 0 H LEU A 44 2.676 -9.228 -7.761 1.00 0.00 H new ATOM 0 HA LEU A 44 5.008 -10.759 -6.864 1.00 0.00 H new ATOM 0 HB2 LEU A 44 3.493 -8.953 -4.997 1.00 0.00 H new ATOM 0 HB3 LEU A 44 4.583 -10.236 -4.511 1.00 0.00 H new ATOM 0 HG LEU A 44 5.439 -7.889 -6.220 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.409 -6.921 -4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.636 -7.037 -4.089 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.649 -8.208 -3.214 1.00 0.00 H new ATOM 0 HD21 LEU A 44 7.707 -8.549 -5.538 1.00 0.00 H new ATOM 0 HD22 LEU A 44 7.032 -9.943 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 44 6.872 -9.842 -6.431 1.00 0.00 H new ATOM 507 N SER A 45 1.763 -10.882 -6.394 1.00 0.00 N ATOM 508 CA SER A 45 0.641 -11.794 -6.253 1.00 0.00 C ATOM 509 C SER A 45 0.734 -12.535 -4.917 1.00 0.00 C ATOM 510 O SER A 45 0.778 -13.764 -4.887 1.00 0.00 O ATOM 511 CB SER A 45 0.594 -12.793 -7.411 1.00 0.00 C ATOM 512 OG SER A 45 -0.733 -12.994 -7.890 1.00 0.00 O ATOM 0 H SER A 45 1.507 -9.896 -6.452 1.00 0.00 H new ATOM 0 HA SER A 45 -0.279 -11.210 -6.275 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.223 -12.433 -8.226 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.010 -13.746 -7.084 1.00 0.00 H new ATOM 0 HG SER A 45 -0.720 -13.637 -8.630 1.00 0.00 H new ATOM 518 N PRO A 46 0.763 -11.736 -3.818 1.00 0.00 N ATOM 519 CA PRO A 46 0.850 -12.302 -2.483 1.00 0.00 C ATOM 520 C PRO A 46 -0.490 -12.903 -2.053 1.00 0.00 C ATOM 521 O PRO A 46 -1.492 -12.755 -2.751 1.00 0.00 O ATOM 522 CB PRO A 46 1.297 -11.152 -1.595 1.00 0.00 C ATOM 523 CG PRO A 46 0.995 -9.882 -2.375 1.00 0.00 C ATOM 524 CD PRO A 46 0.714 -10.276 -3.816 1.00 0.00 C ATOM 0 HA PRO A 46 1.556 -13.131 -2.424 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.764 -11.163 -0.644 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.360 -11.226 -1.365 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.136 -9.366 -1.946 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.839 -9.194 -2.325 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -0.260 -9.912 -4.143 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.456 -9.854 -4.494 1.00 0.00 H new ATOM 532 N GLU A 47 -0.464 -13.568 -0.908 1.00 0.00 N ATOM 533 CA GLU A 47 -1.665 -14.192 -0.377 1.00 0.00 C ATOM 534 C GLU A 47 -2.429 -13.205 0.508 1.00 0.00 C ATOM 535 O GLU A 47 -3.614 -13.394 0.774 1.00 0.00 O ATOM 536 CB GLU A 47 -1.324 -15.469 0.393 1.00 0.00 C ATOM 537 CG GLU A 47 -0.754 -16.538 -0.542 1.00 0.00 C ATOM 538 CD GLU A 47 -1.740 -17.695 -0.717 1.00 0.00 C ATOM 539 OE1 GLU A 47 -1.903 -18.454 0.263 1.00 0.00 O ATOM 540 OE2 GLU A 47 -2.308 -17.795 -1.826 1.00 0.00 O ATOM 0 H GLU A 47 0.369 -13.689 -0.333 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.306 -14.471 -1.213 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -0.601 -15.243 1.177 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.218 -15.851 0.885 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.531 -16.096 -1.513 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.186 -16.914 -0.139 1.00 0.00 H new ATOM 547 N VAL A 48 -1.718 -12.173 0.939 1.00 0.00 N ATOM 548 CA VAL A 48 -2.314 -11.157 1.789 1.00 0.00 C ATOM 549 C VAL A 48 -1.621 -9.816 1.536 1.00 0.00 C ATOM 550 O VAL A 48 -0.501 -9.596 1.993 1.00 0.00 O ATOM 551 CB VAL A 48 -2.250 -11.595 3.254 1.00 0.00 C ATOM 552 CG1 VAL A 48 -3.018 -10.623 4.151 1.00 0.00 C ATOM 553 CG2 VAL A 48 -2.772 -13.024 3.421 1.00 0.00 C ATOM 0 H VAL A 48 -0.735 -12.019 0.715 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.369 -11.029 1.548 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.205 -11.581 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.957 -10.958 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -2.583 -9.627 4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.063 -10.590 3.842 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -2.716 -13.311 4.471 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -3.808 -13.074 3.086 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -2.164 -13.705 2.825 1.00 0.00 H new ATOM 563 N LEU A 49 -2.317 -8.955 0.808 1.00 0.00 N ATOM 564 CA LEU A 49 -1.783 -7.642 0.489 1.00 0.00 C ATOM 565 C LEU A 49 -2.671 -6.567 1.120 1.00 0.00 C ATOM 566 O LEU A 49 -3.650 -6.132 0.515 1.00 0.00 O ATOM 567 CB LEU A 49 -1.611 -7.487 -1.023 1.00 0.00 C ATOM 568 CG LEU A 49 -0.230 -7.029 -1.497 1.00 0.00 C ATOM 569 CD1 LEU A 49 -0.073 -7.232 -3.005 1.00 0.00 C ATOM 570 CD2 LEU A 49 0.039 -5.580 -1.083 1.00 0.00 C ATOM 0 H LEU A 49 -3.246 -9.141 0.430 1.00 0.00 H new ATOM 0 HA LEU A 49 -0.787 -7.523 0.914 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -1.836 -8.444 -1.494 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.352 -6.773 -1.382 1.00 0.00 H new ATOM 0 HG LEU A 49 0.522 -7.649 -1.008 1.00 0.00 H new ATOM 0 HD11 LEU A 49 0.917 -6.899 -3.316 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.192 -8.289 -3.244 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -0.832 -6.653 -3.531 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.027 -5.279 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.716 -4.929 -1.525 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.002 -5.498 0.003 1.00 0.00 H new ATOM 582 N GLU A 50 -2.298 -6.171 2.328 1.00 0.00 N ATOM 583 CA GLU A 50 -3.049 -5.156 3.047 1.00 0.00 C ATOM 584 C GLU A 50 -2.387 -3.786 2.878 1.00 0.00 C ATOM 585 O GLU A 50 -1.172 -3.659 3.017 1.00 0.00 O ATOM 586 CB GLU A 50 -3.184 -5.520 4.527 1.00 0.00 C ATOM 587 CG GLU A 50 -4.406 -6.409 4.763 1.00 0.00 C ATOM 588 CD GLU A 50 -5.658 -5.566 5.013 1.00 0.00 C ATOM 589 OE1 GLU A 50 -6.117 -4.929 4.040 1.00 0.00 O ATOM 590 OE2 GLU A 50 -6.128 -5.578 6.171 1.00 0.00 O ATOM 0 H GLU A 50 -1.486 -6.535 2.827 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.053 -5.108 2.625 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -2.284 -6.036 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -3.270 -4.611 5.122 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -4.564 -7.053 3.898 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.226 -7.061 5.618 1.00 0.00 H new ATOM 597 N LEU A 51 -3.216 -2.797 2.579 1.00 0.00 N ATOM 598 CA LEU A 51 -2.726 -1.442 2.389 1.00 0.00 C ATOM 599 C LEU A 51 -3.762 -0.451 2.924 1.00 0.00 C ATOM 600 O LEU A 51 -4.961 -0.630 2.721 1.00 0.00 O ATOM 601 CB LEU A 51 -2.351 -1.209 0.924 1.00 0.00 C ATOM 602 CG LEU A 51 -1.686 0.132 0.608 1.00 0.00 C ATOM 603 CD1 LEU A 51 -0.527 0.409 1.568 1.00 0.00 C ATOM 604 CD2 LEU A 51 -1.244 0.194 -0.856 1.00 0.00 C ATOM 0 H LEU A 51 -4.224 -2.907 2.464 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.810 -1.284 2.958 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -1.680 -2.008 0.610 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -3.254 -1.296 0.320 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.423 0.921 0.756 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.072 1.368 1.322 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.901 0.437 2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.218 -0.381 1.476 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.774 1.158 -1.054 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -0.530 -0.605 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.112 0.074 -1.504 1.00 0.00 H new ATOM 616 N ARG A 52 -3.260 0.574 3.597 1.00 0.00 N ATOM 617 CA ARG A 52 -4.126 1.594 4.163 1.00 0.00 C ATOM 618 C ARG A 52 -3.383 2.928 4.259 1.00 0.00 C ATOM 619 O ARG A 52 -2.157 2.954 4.356 1.00 0.00 O ATOM 620 CB ARG A 52 -4.617 1.190 5.555 1.00 0.00 C ATOM 621 CG ARG A 52 -5.912 0.381 5.466 1.00 0.00 C ATOM 622 CD ARG A 52 -5.635 -1.116 5.624 1.00 0.00 C ATOM 623 NE ARG A 52 -5.418 -1.442 7.051 1.00 0.00 N ATOM 624 CZ ARG A 52 -6.390 -1.464 7.973 1.00 0.00 C ATOM 625 NH1 ARG A 52 -7.651 -1.178 7.624 1.00 0.00 N ATOM 626 NH2 ARG A 52 -6.100 -1.771 9.245 1.00 0.00 N ATOM 0 H ARG A 52 -2.264 0.720 3.763 1.00 0.00 H new ATOM 0 HA ARG A 52 -4.987 1.701 3.503 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.850 0.601 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -4.782 2.082 6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -6.605 0.710 6.241 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.395 0.566 4.507 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.474 -1.693 5.234 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -4.757 -1.396 5.041 1.00 0.00 H new ATOM 0 HE ARG A 52 -4.469 -1.664 7.352 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -7.872 -0.943 6.656 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -8.391 -1.195 8.326 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.139 -1.988 9.511 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -6.840 -1.788 9.947 1.00 0.00 H new ATOM 794 N THR A 66 1.855 10.685 2.277 1.00 0.00 N ATOM 795 CA THR A 66 3.231 10.241 2.132 1.00 0.00 C ATOM 796 C THR A 66 3.473 8.978 2.960 1.00 0.00 C ATOM 797 O THR A 66 3.977 7.981 2.445 1.00 0.00 O ATOM 798 CB THR A 66 4.146 11.405 2.518 1.00 0.00 C ATOM 799 OG1 THR A 66 4.144 11.391 3.943 1.00 0.00 O ATOM 800 CG2 THR A 66 3.546 12.766 2.158 1.00 0.00 C ATOM 0 HA THR A 66 3.451 9.963 1.101 1.00 0.00 H new ATOM 0 HB THR A 66 5.109 11.290 2.020 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.937 11.860 4.276 1.00 0.00 H new ATOM 0 HG21 THR A 66 4.235 13.557 2.453 1.00 0.00 H new ATOM 0 HG22 THR A 66 3.376 12.816 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.599 12.896 2.682 1.00 0.00 H new ATOM 808 N HIS A 67 3.103 9.060 4.230 1.00 0.00 N ATOM 809 CA HIS A 67 3.274 7.936 5.134 1.00 0.00 C ATOM 810 C HIS A 67 2.213 6.874 4.839 1.00 0.00 C ATOM 811 O HIS A 67 1.018 7.133 4.968 1.00 0.00 O ATOM 812 CB HIS A 67 3.257 8.403 6.591 1.00 0.00 C ATOM 813 CG HIS A 67 4.493 8.026 7.372 1.00 0.00 C ATOM 814 ND1 HIS A 67 4.594 6.850 8.095 1.00 0.00 N ATOM 815 CD2 HIS A 67 5.679 8.681 7.534 1.00 0.00 C ATOM 816 CE1 HIS A 67 5.790 6.810 8.663 1.00 0.00 C ATOM 817 NE2 HIS A 67 6.461 7.946 8.315 1.00 0.00 N ATOM 0 H HIS A 67 2.685 9.888 4.654 1.00 0.00 H new ATOM 0 HA HIS A 67 4.250 7.479 4.971 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.143 9.487 6.613 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.383 7.980 7.087 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.938 9.636 7.100 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.168 6.017 9.291 1.00 0.00 H new ATOM 0 HE2 HIS A 67 7.407 8.190 8.607 1.00 0.00 H new ATOM 825 N PHE A 68 2.689 5.701 4.447 1.00 0.00 N ATOM 826 CA PHE A 68 1.796 4.599 4.132 1.00 0.00 C ATOM 827 C PHE A 68 2.268 3.304 4.796 1.00 0.00 C ATOM 828 O PHE A 68 3.331 3.271 5.414 1.00 0.00 O ATOM 829 CB PHE A 68 1.825 4.419 2.613 1.00 0.00 C ATOM 830 CG PHE A 68 0.694 5.141 1.879 1.00 0.00 C ATOM 831 CD1 PHE A 68 -0.601 4.809 2.131 1.00 0.00 C ATOM 832 CD2 PHE A 68 0.982 6.115 0.975 1.00 0.00 C ATOM 833 CE1 PHE A 68 -1.652 5.479 1.450 1.00 0.00 C ATOM 834 CE2 PHE A 68 -0.069 6.785 0.294 1.00 0.00 C ATOM 835 CZ PHE A 68 -1.363 6.453 0.546 1.00 0.00 C ATOM 0 H PHE A 68 3.681 5.490 4.340 1.00 0.00 H new ATOM 0 HA PHE A 68 0.792 4.818 4.496 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.780 4.781 2.233 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.773 3.355 2.383 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.830 4.036 2.849 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.010 6.379 0.775 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.680 5.215 1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.160 7.558 -0.424 1.00 0.00 H new ATOM 0 HZ PHE A 68 -2.162 6.963 0.028 1.00 0.00 H new ATOM 845 N ARG A 69 1.455 2.268 4.646 1.00 0.00 N ATOM 846 CA ARG A 69 1.777 0.974 5.223 1.00 0.00 C ATOM 847 C ARG A 69 1.158 -0.148 4.388 1.00 0.00 C ATOM 848 O ARG A 69 -0.064 -0.242 4.276 1.00 0.00 O ATOM 849 CB ARG A 69 1.267 0.871 6.662 1.00 0.00 C ATOM 850 CG ARG A 69 2.399 0.494 7.619 1.00 0.00 C ATOM 851 CD ARG A 69 2.332 1.326 8.901 1.00 0.00 C ATOM 852 NE ARG A 69 3.618 2.028 9.116 1.00 0.00 N ATOM 853 CZ ARG A 69 4.680 1.480 9.722 1.00 0.00 C ATOM 854 NH1 ARG A 69 4.618 0.221 10.176 1.00 0.00 N ATOM 855 NH2 ARG A 69 5.806 2.192 9.873 1.00 0.00 N ATOM 0 H ARG A 69 0.574 2.299 4.133 1.00 0.00 H new ATOM 0 HA ARG A 69 2.862 0.873 5.226 1.00 0.00 H new ATOM 0 HB2 ARG A 69 0.831 1.823 6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 69 0.475 0.125 6.718 1.00 0.00 H new ATOM 0 HG2 ARG A 69 2.334 -0.566 7.865 1.00 0.00 H new ATOM 0 HG3 ARG A 69 3.361 0.650 7.130 1.00 0.00 H new ATOM 0 HD2 ARG A 69 1.520 2.050 8.833 1.00 0.00 H new ATOM 0 HD3 ARG A 69 2.113 0.681 9.752 1.00 0.00 H new ATOM 0 HE ARG A 69 3.700 2.988 8.782 1.00 0.00 H new ATOM 0 HH11 ARG A 69 3.762 -0.321 10.060 1.00 0.00 H new ATOM 0 HH12 ARG A 69 5.427 -0.195 10.637 1.00 0.00 H new ATOM 0 HH21 ARG A 69 5.854 3.150 9.527 1.00 0.00 H new ATOM 0 HH22 ARG A 69 6.615 1.775 10.334 1.00 0.00 H new ATOM 869 N VAL A 70 2.029 -0.971 3.822 1.00 0.00 N ATOM 870 CA VAL A 70 1.583 -2.083 3.000 1.00 0.00 C ATOM 871 C VAL A 70 2.100 -3.393 3.598 1.00 0.00 C ATOM 872 O VAL A 70 3.282 -3.510 3.916 1.00 0.00 O ATOM 873 CB VAL A 70 2.024 -1.872 1.551 1.00 0.00 C ATOM 874 CG1 VAL A 70 3.443 -2.399 1.327 1.00 0.00 C ATOM 875 CG2 VAL A 70 1.038 -2.523 0.578 1.00 0.00 C ATOM 0 H VAL A 70 3.041 -0.890 3.917 1.00 0.00 H new ATOM 0 HA VAL A 70 0.494 -2.138 2.989 1.00 0.00 H new ATOM 0 HB VAL A 70 2.030 -0.800 1.356 1.00 0.00 H new ATOM 0 HG11 VAL A 70 3.732 -2.237 0.289 1.00 0.00 H new ATOM 0 HG12 VAL A 70 4.135 -1.871 1.983 1.00 0.00 H new ATOM 0 HG13 VAL A 70 3.474 -3.466 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 70 1.375 -2.358 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.986 -3.594 0.775 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.050 -2.081 0.711 1.00 0.00 H new ATOM 885 N ALA A 71 1.189 -4.346 3.733 1.00 0.00 N ATOM 886 CA ALA A 71 1.538 -5.643 4.287 1.00 0.00 C ATOM 887 C ALA A 71 1.433 -6.705 3.191 1.00 0.00 C ATOM 888 O ALA A 71 0.341 -7.179 2.884 1.00 0.00 O ATOM 889 CB ALA A 71 0.635 -5.947 5.483 1.00 0.00 C ATOM 0 H ALA A 71 0.209 -4.245 3.468 1.00 0.00 H new ATOM 0 HA ALA A 71 2.567 -5.643 4.648 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.897 -6.920 5.899 1.00 0.00 H new ATOM 0 HB2 ALA A 71 0.769 -5.179 6.245 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -0.406 -5.959 5.159 1.00 0.00 H new ATOM 895 N VAL A 72 2.584 -7.049 2.632 1.00 0.00 N ATOM 896 CA VAL A 72 2.636 -8.047 1.577 1.00 0.00 C ATOM 897 C VAL A 72 2.906 -9.421 2.194 1.00 0.00 C ATOM 898 O VAL A 72 3.688 -9.540 3.136 1.00 0.00 O ATOM 899 CB VAL A 72 3.676 -7.647 0.529 1.00 0.00 C ATOM 900 CG1 VAL A 72 5.096 -7.828 1.069 1.00 0.00 C ATOM 901 CG2 VAL A 72 3.477 -8.434 -0.768 1.00 0.00 C ATOM 0 H VAL A 72 3.488 -6.654 2.890 1.00 0.00 H new ATOM 0 HA VAL A 72 1.679 -8.106 1.059 1.00 0.00 H new ATOM 0 HB VAL A 72 3.536 -6.590 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.816 -7.537 0.304 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.232 -7.204 1.952 1.00 0.00 H new ATOM 0 HG13 VAL A 72 5.253 -8.873 1.336 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.229 -8.131 -1.497 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.577 -9.500 -0.566 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.483 -8.232 -1.167 1.00 0.00 H new ATOM 911 N VAL A 73 2.243 -10.424 1.637 1.00 0.00 N ATOM 912 CA VAL A 73 2.402 -11.785 2.121 1.00 0.00 C ATOM 913 C VAL A 73 2.598 -12.725 0.930 1.00 0.00 C ATOM 914 O VAL A 73 1.628 -13.161 0.312 1.00 0.00 O ATOM 915 CB VAL A 73 1.209 -12.172 2.998 1.00 0.00 C ATOM 916 CG1 VAL A 73 1.335 -13.615 3.489 1.00 0.00 C ATOM 917 CG2 VAL A 73 1.056 -11.204 4.172 1.00 0.00 C ATOM 0 H VAL A 73 1.595 -10.322 0.856 1.00 0.00 H new ATOM 0 HA VAL A 73 3.289 -11.866 2.749 1.00 0.00 H new ATOM 0 HB VAL A 73 0.308 -12.104 2.388 1.00 0.00 H new ATOM 0 HG11 VAL A 73 0.475 -13.865 4.110 1.00 0.00 H new ATOM 0 HG12 VAL A 73 1.372 -14.289 2.633 1.00 0.00 H new ATOM 0 HG13 VAL A 73 2.248 -13.722 4.075 1.00 0.00 H new ATOM 0 HG21 VAL A 73 0.201 -11.501 4.780 1.00 0.00 H new ATOM 0 HG22 VAL A 73 1.959 -11.226 4.781 1.00 0.00 H new ATOM 0 HG23 VAL A 73 0.898 -10.194 3.793 1.00 0.00 H new ATOM 927 N SER A 74 3.860 -13.011 0.643 1.00 0.00 N ATOM 928 CA SER A 74 4.195 -13.891 -0.463 1.00 0.00 C ATOM 929 C SER A 74 5.467 -14.678 -0.138 1.00 0.00 C ATOM 930 O SER A 74 6.172 -14.359 0.818 1.00 0.00 O ATOM 931 CB SER A 74 4.377 -13.101 -1.760 1.00 0.00 C ATOM 932 OG SER A 74 3.558 -13.605 -2.812 1.00 0.00 O ATOM 0 H SER A 74 4.663 -12.648 1.158 1.00 0.00 H new ATOM 0 HA SER A 74 3.370 -14.589 -0.607 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.135 -12.053 -1.583 1.00 0.00 H new ATOM 0 HB3 SER A 74 5.423 -13.140 -2.064 1.00 0.00 H new ATOM 0 HG SER A 74 3.318 -12.874 -3.419 1.00 0.00 H new ATOM 938 N SER A 75 5.721 -15.692 -0.953 1.00 0.00 N ATOM 939 CA SER A 75 6.895 -16.526 -0.764 1.00 0.00 C ATOM 940 C SER A 75 8.130 -15.830 -1.339 1.00 0.00 C ATOM 941 O SER A 75 9.260 -16.208 -1.032 1.00 0.00 O ATOM 942 CB SER A 75 6.707 -17.897 -1.417 1.00 0.00 C ATOM 943 OG SER A 75 6.493 -17.795 -2.822 1.00 0.00 O ATOM 0 H SER A 75 5.134 -15.954 -1.745 1.00 0.00 H new ATOM 0 HA SER A 75 7.037 -16.679 0.306 1.00 0.00 H new ATOM 0 HB2 SER A 75 7.587 -18.512 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 75 5.859 -18.404 -0.957 1.00 0.00 H new ATOM 0 HG SER A 75 6.379 -18.691 -3.202 1.00 0.00 H new ATOM 949 N ARG A 76 7.874 -14.825 -2.164 1.00 0.00 N ATOM 950 CA ARG A 76 8.950 -14.073 -2.785 1.00 0.00 C ATOM 951 C ARG A 76 10.008 -13.701 -1.743 1.00 0.00 C ATOM 952 O ARG A 76 11.202 -13.698 -2.039 1.00 0.00 O ATOM 953 CB ARG A 76 8.422 -12.797 -3.443 1.00 0.00 C ATOM 954 CG ARG A 76 8.953 -12.657 -4.871 1.00 0.00 C ATOM 955 CD ARG A 76 8.349 -13.723 -5.788 1.00 0.00 C ATOM 956 NE ARG A 76 9.219 -14.920 -5.813 1.00 0.00 N ATOM 957 CZ ARG A 76 8.902 -16.067 -6.429 1.00 0.00 C ATOM 958 NH1 ARG A 76 7.733 -16.179 -7.074 1.00 0.00 N ATOM 959 NH2 ARG A 76 9.753 -17.101 -6.399 1.00 0.00 N ATOM 0 H ARG A 76 6.936 -14.514 -2.417 1.00 0.00 H new ATOM 0 HA ARG A 76 9.397 -14.706 -3.552 1.00 0.00 H new ATOM 0 HB2 ARG A 76 7.332 -12.815 -3.456 1.00 0.00 H new ATOM 0 HB3 ARG A 76 8.720 -11.930 -2.854 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.716 -11.665 -5.255 1.00 0.00 H new ATOM 0 HG3 ARG A 76 10.039 -12.747 -4.869 1.00 0.00 H new ATOM 0 HD2 ARG A 76 7.353 -13.994 -5.438 1.00 0.00 H new ATOM 0 HD3 ARG A 76 8.235 -13.325 -6.796 1.00 0.00 H new ATOM 0 HE ARG A 76 10.116 -14.869 -5.331 1.00 0.00 H new ATOM 0 HH11 ARG A 76 7.085 -15.391 -7.096 1.00 0.00 H new ATOM 0 HH12 ARG A 76 7.491 -17.052 -7.543 1.00 0.00 H new ATOM 0 HH21 ARG A 76 10.642 -17.015 -5.907 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.512 -17.974 -6.868 1.00 0.00 H new ATOM 973 N PHE A 77 9.531 -13.397 -0.545 1.00 0.00 N ATOM 974 CA PHE A 77 10.420 -13.025 0.542 1.00 0.00 C ATOM 975 C PHE A 77 10.706 -14.222 1.451 1.00 0.00 C ATOM 976 O PHE A 77 10.695 -14.094 2.674 1.00 0.00 O ATOM 977 CB PHE A 77 9.705 -11.943 1.354 1.00 0.00 C ATOM 978 CG PHE A 77 8.939 -10.929 0.501 1.00 0.00 C ATOM 979 CD1 PHE A 77 9.619 -10.027 -0.257 1.00 0.00 C ATOM 980 CD2 PHE A 77 7.579 -10.930 0.501 1.00 0.00 C ATOM 981 CE1 PHE A 77 8.908 -9.086 -1.048 1.00 0.00 C ATOM 982 CE2 PHE A 77 6.869 -9.990 -0.290 1.00 0.00 C ATOM 983 CZ PHE A 77 7.548 -9.087 -1.048 1.00 0.00 C ATOM 0 H PHE A 77 8.540 -13.401 -0.303 1.00 0.00 H new ATOM 0 HA PHE A 77 11.370 -12.672 0.141 1.00 0.00 H new ATOM 0 HB2 PHE A 77 9.010 -12.421 2.044 1.00 0.00 H new ATOM 0 HB3 PHE A 77 10.440 -11.412 1.959 1.00 0.00 H new ATOM 0 HD1 PHE A 77 10.699 -10.027 -0.257 1.00 0.00 H new ATOM 0 HD2 PHE A 77 7.039 -11.646 1.103 1.00 0.00 H new ATOM 0 HE1 PHE A 77 9.447 -8.369 -1.650 1.00 0.00 H new ATOM 0 HE2 PHE A 77 5.789 -9.991 -0.290 1.00 0.00 H new ATOM 0 HZ PHE A 77 7.007 -8.371 -1.649 1.00 0.00 H new ATOM 993 N GLU A 78 10.954 -15.359 0.818 1.00 0.00 N ATOM 994 CA GLU A 78 11.243 -16.578 1.554 1.00 0.00 C ATOM 995 C GLU A 78 12.731 -16.648 1.902 1.00 0.00 C ATOM 996 O GLU A 78 13.543 -17.084 1.086 1.00 0.00 O ATOM 997 CB GLU A 78 10.806 -17.812 0.763 1.00 0.00 C ATOM 998 CG GLU A 78 9.414 -18.278 1.197 1.00 0.00 C ATOM 999 CD GLU A 78 9.298 -19.802 1.123 1.00 0.00 C ATOM 1000 OE1 GLU A 78 10.102 -20.466 1.811 1.00 0.00 O ATOM 1001 OE2 GLU A 78 8.407 -20.267 0.380 1.00 0.00 O ATOM 0 H GLU A 78 10.961 -15.462 -0.197 1.00 0.00 H new ATOM 0 HA GLU A 78 10.673 -16.562 2.483 1.00 0.00 H new ATOM 0 HB2 GLU A 78 10.801 -17.582 -0.302 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.526 -18.617 0.912 1.00 0.00 H new ATOM 0 HG2 GLU A 78 9.216 -17.944 2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.658 -17.821 0.559 1.00 0.00 H new ATOM 1008 N GLY A 79 13.044 -16.213 3.113 1.00 0.00 N ATOM 1009 CA GLY A 79 14.420 -16.222 3.579 1.00 0.00 C ATOM 1010 C GLY A 79 15.258 -15.181 2.833 1.00 0.00 C ATOM 1011 O GLY A 79 16.484 -15.271 2.804 1.00 0.00 O ATOM 0 H GLY A 79 12.368 -15.852 3.786 1.00 0.00 H new ATOM 0 HA2 GLY A 79 14.447 -16.017 4.649 1.00 0.00 H new ATOM 0 HA3 GLY A 79 14.851 -17.213 3.434 1.00 0.00 H new ATOM 1015 N MET A 80 14.562 -14.217 2.248 1.00 0.00 N ATOM 1016 CA MET A 80 15.227 -13.161 1.504 1.00 0.00 C ATOM 1017 C MET A 80 15.718 -12.055 2.441 1.00 0.00 C ATOM 1018 O MET A 80 15.251 -11.944 3.574 1.00 0.00 O ATOM 1019 CB MET A 80 14.255 -12.569 0.480 1.00 0.00 C ATOM 1020 CG MET A 80 14.300 -13.351 -0.834 1.00 0.00 C ATOM 1021 SD MET A 80 14.567 -12.234 -2.200 1.00 0.00 S ATOM 1022 CE MET A 80 12.997 -11.385 -2.219 1.00 0.00 C ATOM 0 H MET A 80 13.545 -14.145 2.274 1.00 0.00 H new ATOM 0 HA MET A 80 16.090 -13.589 0.994 1.00 0.00 H new ATOM 0 HB2 MET A 80 13.242 -12.586 0.883 1.00 0.00 H new ATOM 0 HB3 MET A 80 14.507 -11.525 0.295 1.00 0.00 H new ATOM 0 HG2 MET A 80 15.098 -14.092 -0.798 1.00 0.00 H new ATOM 0 HG3 MET A 80 13.366 -13.895 -0.975 1.00 0.00 H new ATOM 0 HE1 MET A 80 12.413 -11.720 -3.076 1.00 0.00 H new ATOM 0 HE2 MET A 80 12.453 -11.605 -1.301 1.00 0.00 H new ATOM 0 HE3 MET A 80 13.165 -10.311 -2.292 1.00 0.00 H new ATOM 1032 N SER A 81 16.653 -11.266 1.934 1.00 0.00 N ATOM 1033 CA SER A 81 17.212 -10.173 2.711 1.00 0.00 C ATOM 1034 C SER A 81 16.117 -9.161 3.054 1.00 0.00 C ATOM 1035 O SER A 81 15.039 -9.183 2.463 1.00 0.00 O ATOM 1036 CB SER A 81 18.352 -9.487 1.956 1.00 0.00 C ATOM 1037 OG SER A 81 18.951 -10.350 0.994 1.00 0.00 O ATOM 0 H SER A 81 17.038 -11.362 0.994 1.00 0.00 H new ATOM 0 HA SER A 81 17.620 -10.584 3.635 1.00 0.00 H new ATOM 0 HB2 SER A 81 17.971 -8.596 1.456 1.00 0.00 H new ATOM 0 HB3 SER A 81 19.109 -9.155 2.666 1.00 0.00 H new ATOM 0 HG SER A 81 19.673 -9.874 0.532 1.00 0.00 H new ATOM 1043 N PRO A 82 16.441 -8.274 4.033 1.00 0.00 N ATOM 1044 CA PRO A 82 15.497 -7.255 4.462 1.00 0.00 C ATOM 1045 C PRO A 82 15.397 -6.131 3.429 1.00 0.00 C ATOM 1046 O PRO A 82 14.320 -5.582 3.206 1.00 0.00 O ATOM 1047 CB PRO A 82 16.017 -6.780 5.809 1.00 0.00 C ATOM 1048 CG PRO A 82 17.473 -7.211 5.870 1.00 0.00 C ATOM 1049 CD PRO A 82 17.708 -8.218 4.756 1.00 0.00 C ATOM 0 HA PRO A 82 14.480 -7.635 4.554 1.00 0.00 H new ATOM 0 HB2 PRO A 82 15.926 -5.698 5.903 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.445 -7.220 6.626 1.00 0.00 H new ATOM 0 HG2 PRO A 82 18.131 -6.350 5.752 1.00 0.00 H new ATOM 0 HG3 PRO A 82 17.700 -7.655 6.840 1.00 0.00 H new ATOM 0 HD2 PRO A 82 18.523 -7.904 4.104 1.00 0.00 H new ATOM 0 HD3 PRO A 82 17.979 -9.195 5.156 1.00 0.00 H new ATOM 1057 N LEU A 83 16.536 -5.823 2.825 1.00 0.00 N ATOM 1058 CA LEU A 83 16.590 -4.774 1.821 1.00 0.00 C ATOM 1059 C LEU A 83 15.884 -5.253 0.551 1.00 0.00 C ATOM 1060 O LEU A 83 14.937 -4.620 0.087 1.00 0.00 O ATOM 1061 CB LEU A 83 18.035 -4.327 1.590 1.00 0.00 C ATOM 1062 CG LEU A 83 18.265 -2.817 1.501 1.00 0.00 C ATOM 1063 CD1 LEU A 83 17.867 -2.283 0.123 1.00 0.00 C ATOM 1064 CD2 LEU A 83 17.539 -2.085 2.631 1.00 0.00 C ATOM 0 H LEU A 83 17.428 -6.281 3.012 1.00 0.00 H new ATOM 0 HA LEU A 83 16.058 -3.888 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 83 18.650 -4.721 2.399 1.00 0.00 H new ATOM 0 HB3 LEU A 83 18.392 -4.784 0.667 1.00 0.00 H new ATOM 0 HG LEU A 83 19.331 -2.625 1.626 1.00 0.00 H new ATOM 0 HD11 LEU A 83 18.040 -1.207 0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 83 18.466 -2.774 -0.644 1.00 0.00 H new ATOM 0 HD13 LEU A 83 16.811 -2.487 -0.055 1.00 0.00 H new ATOM 0 HD21 LEU A 83 17.719 -1.013 2.545 1.00 0.00 H new ATOM 0 HD22 LEU A 83 16.469 -2.280 2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 83 17.911 -2.439 3.592 1.00 0.00 H new ATOM 1076 N GLN A 84 16.373 -6.366 0.024 1.00 0.00 N ATOM 1077 CA GLN A 84 15.800 -6.937 -1.183 1.00 0.00 C ATOM 1078 C GLN A 84 14.272 -6.903 -1.113 1.00 0.00 C ATOM 1079 O GLN A 84 13.611 -6.539 -2.084 1.00 0.00 O ATOM 1080 CB GLN A 84 16.308 -8.362 -1.409 1.00 0.00 C ATOM 1081 CG GLN A 84 17.633 -8.358 -2.174 1.00 0.00 C ATOM 1082 CD GLN A 84 17.707 -9.535 -3.149 1.00 0.00 C ATOM 1083 OE1 GLN A 84 17.530 -9.393 -4.347 1.00 0.00 O ATOM 1084 NE2 GLN A 84 17.979 -10.701 -2.569 1.00 0.00 N ATOM 0 H GLN A 84 17.160 -6.888 0.411 1.00 0.00 H new ATOM 0 HA GLN A 84 16.118 -6.334 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 84 16.440 -8.861 -0.449 1.00 0.00 H new ATOM 0 HB3 GLN A 84 15.565 -8.933 -1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 84 17.738 -7.421 -2.721 1.00 0.00 H new ATOM 0 HG3 GLN A 84 18.464 -8.411 -1.470 1.00 0.00 H new ATOM 0 HE21 GLN A 84 18.116 -10.749 -1.559 1.00 0.00 H new ATOM 0 HE22 GLN A 84 18.051 -11.547 -3.134 1.00 0.00 H new ATOM 1093 N ARG A 85 13.756 -7.288 0.045 1.00 0.00 N ATOM 1094 CA ARG A 85 12.318 -7.306 0.254 1.00 0.00 C ATOM 1095 C ARG A 85 11.697 -5.989 -0.215 1.00 0.00 C ATOM 1096 O ARG A 85 10.969 -5.960 -1.206 1.00 0.00 O ATOM 1097 CB ARG A 85 11.979 -7.526 1.730 1.00 0.00 C ATOM 1098 CG ARG A 85 12.103 -9.003 2.107 1.00 0.00 C ATOM 1099 CD ARG A 85 12.144 -9.180 3.626 1.00 0.00 C ATOM 1100 NE ARG A 85 12.831 -10.445 3.970 1.00 0.00 N ATOM 1101 CZ ARG A 85 12.710 -11.069 5.150 1.00 0.00 C ATOM 1102 NH1 ARG A 85 11.927 -10.550 6.105 1.00 0.00 N ATOM 1103 NH2 ARG A 85 13.371 -12.213 5.374 1.00 0.00 N ATOM 0 H ARG A 85 14.308 -7.590 0.848 1.00 0.00 H new ATOM 0 HA ARG A 85 11.908 -8.132 -0.328 1.00 0.00 H new ATOM 0 HB2 ARG A 85 12.647 -6.931 2.353 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.965 -7.180 1.929 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.261 -9.559 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.007 -9.420 1.664 1.00 0.00 H new ATOM 0 HD2 ARG A 85 12.663 -8.338 4.085 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.131 -9.186 4.027 1.00 0.00 H new ATOM 0 HE ARG A 85 13.434 -10.868 3.265 1.00 0.00 H new ATOM 0 HH11 ARG A 85 11.423 -9.680 5.934 1.00 0.00 H new ATOM 0 HH12 ARG A 85 11.835 -11.025 7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.966 -12.609 4.646 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.279 -12.688 6.272 1.00 0.00 H new ATOM 1117 N HIS A 86 12.006 -4.931 0.520 1.00 0.00 N ATOM 1118 CA HIS A 86 11.487 -3.614 0.192 1.00 0.00 C ATOM 1119 C HIS A 86 11.911 -3.235 -1.228 1.00 0.00 C ATOM 1120 O HIS A 86 11.174 -2.552 -1.938 1.00 0.00 O ATOM 1121 CB HIS A 86 11.922 -2.584 1.236 1.00 0.00 C ATOM 1122 CG HIS A 86 11.267 -2.761 2.585 1.00 0.00 C ATOM 1123 ND1 HIS A 86 10.987 -1.700 3.428 1.00 0.00 N ATOM 1124 CD2 HIS A 86 10.840 -3.886 3.227 1.00 0.00 C ATOM 1125 CE1 HIS A 86 10.418 -2.177 4.525 1.00 0.00 C ATOM 1126 NE2 HIS A 86 10.328 -3.532 4.399 1.00 0.00 N ATOM 0 H HIS A 86 12.609 -4.959 1.342 1.00 0.00 H new ATOM 0 HA HIS A 86 10.397 -3.631 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 86 13.004 -2.641 1.359 1.00 0.00 H new ATOM 0 HB3 HIS A 86 11.696 -1.585 0.862 1.00 0.00 H new ATOM 0 HD2 HIS A 86 10.907 -4.894 2.846 1.00 0.00 H new ATOM 0 HE1 HIS A 86 10.084 -1.595 5.371 1.00 0.00 H new ATOM 0 HE2 HIS A 86 9.932 -4.168 5.091 1.00 0.00 H new ATOM 1134 N ARG A 87 13.096 -3.695 -1.601 1.00 0.00 N ATOM 1135 CA ARG A 87 13.626 -3.413 -2.924 1.00 0.00 C ATOM 1136 C ARG A 87 12.694 -3.973 -4.000 1.00 0.00 C ATOM 1137 O ARG A 87 12.246 -3.241 -4.880 1.00 0.00 O ATOM 1138 CB ARG A 87 15.020 -4.019 -3.099 1.00 0.00 C ATOM 1139 CG ARG A 87 15.667 -3.538 -4.400 1.00 0.00 C ATOM 1140 CD ARG A 87 16.840 -4.438 -4.794 1.00 0.00 C ATOM 1141 NE ARG A 87 18.094 -3.651 -4.824 1.00 0.00 N ATOM 1142 CZ ARG A 87 19.320 -4.189 -4.768 1.00 0.00 C ATOM 1143 NH1 ARG A 87 19.465 -5.518 -4.679 1.00 0.00 N ATOM 1144 NH2 ARG A 87 20.400 -3.397 -4.802 1.00 0.00 N ATOM 0 H ARG A 87 13.704 -4.261 -1.010 1.00 0.00 H new ATOM 0 HA ARG A 87 13.697 -2.330 -3.029 1.00 0.00 H new ATOM 0 HB2 ARG A 87 15.649 -3.744 -2.252 1.00 0.00 H new ATOM 0 HB3 ARG A 87 14.950 -5.107 -3.104 1.00 0.00 H new ATOM 0 HG2 ARG A 87 14.925 -3.531 -5.198 1.00 0.00 H new ATOM 0 HG3 ARG A 87 16.015 -2.512 -4.280 1.00 0.00 H new ATOM 0 HD2 ARG A 87 16.933 -5.260 -4.084 1.00 0.00 H new ATOM 0 HD3 ARG A 87 16.656 -4.882 -5.772 1.00 0.00 H new ATOM 0 HE ARG A 87 18.020 -2.636 -4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 87 18.642 -6.120 -4.654 1.00 0.00 H new ATOM 0 HH12 ARG A 87 20.398 -5.927 -4.636 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.289 -2.385 -4.870 1.00 0.00 H new ATOM 0 HH22 ARG A 87 21.334 -3.806 -4.759 1.00 0.00 H new ATOM 1158 N LEU A 88 12.431 -5.267 -3.894 1.00 0.00 N ATOM 1159 CA LEU A 88 11.560 -5.934 -4.847 1.00 0.00 C ATOM 1160 C LEU A 88 10.331 -5.061 -5.107 1.00 0.00 C ATOM 1161 O LEU A 88 9.857 -4.971 -6.238 1.00 0.00 O ATOM 1162 CB LEU A 88 11.221 -7.346 -4.365 1.00 0.00 C ATOM 1163 CG LEU A 88 11.587 -8.486 -5.318 1.00 0.00 C ATOM 1164 CD1 LEU A 88 12.505 -9.500 -4.632 1.00 0.00 C ATOM 1165 CD2 LEU A 88 10.331 -9.146 -5.891 1.00 0.00 C ATOM 0 H LEU A 88 12.806 -5.871 -3.163 1.00 0.00 H new ATOM 0 HA LEU A 88 12.068 -6.061 -5.803 1.00 0.00 H new ATOM 0 HB2 LEU A 88 11.728 -7.516 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 88 10.150 -7.394 -4.167 1.00 0.00 H new ATOM 0 HG LEU A 88 12.141 -8.066 -6.157 1.00 0.00 H new ATOM 0 HD11 LEU A 88 12.750 -10.300 -5.331 1.00 0.00 H new ATOM 0 HD12 LEU A 88 13.421 -9.004 -4.313 1.00 0.00 H new ATOM 0 HD13 LEU A 88 11.998 -9.920 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 88 10.619 -9.953 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.729 -9.551 -5.077 1.00 0.00 H new ATOM 0 HD23 LEU A 88 9.749 -8.405 -6.439 1.00 0.00 H new ATOM 1177 N VAL A 89 9.851 -4.439 -4.040 1.00 0.00 N ATOM 1178 CA VAL A 89 8.686 -3.576 -4.139 1.00 0.00 C ATOM 1179 C VAL A 89 9.109 -2.219 -4.705 1.00 0.00 C ATOM 1180 O VAL A 89 8.587 -1.779 -5.729 1.00 0.00 O ATOM 1181 CB VAL A 89 7.998 -3.467 -2.777 1.00 0.00 C ATOM 1182 CG1 VAL A 89 6.892 -2.411 -2.804 1.00 0.00 C ATOM 1183 CG2 VAL A 89 7.451 -4.824 -2.329 1.00 0.00 C ATOM 0 H VAL A 89 10.247 -4.515 -3.103 1.00 0.00 H new ATOM 0 HA VAL A 89 7.953 -4.001 -4.825 1.00 0.00 H new ATOM 0 HB VAL A 89 8.745 -3.150 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 89 6.419 -2.354 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 89 7.321 -1.441 -3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.146 -2.684 -3.551 1.00 0.00 H new ATOM 0 HG21 VAL A 89 6.967 -4.719 -1.358 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.726 -5.183 -3.059 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.270 -5.539 -2.250 1.00 0.00 H new ATOM 1193 N HIS A 90 10.050 -1.593 -4.014 1.00 0.00 N ATOM 1194 CA HIS A 90 10.549 -0.295 -4.435 1.00 0.00 C ATOM 1195 C HIS A 90 10.891 -0.335 -5.926 1.00 0.00 C ATOM 1196 O HIS A 90 10.829 0.686 -6.609 1.00 0.00 O ATOM 1197 CB HIS A 90 11.732 0.141 -3.568 1.00 0.00 C ATOM 1198 CG HIS A 90 11.383 0.345 -2.112 1.00 0.00 C ATOM 1199 ND1 HIS A 90 10.204 0.183 -1.447 1.00 0.00 N flip ATOM 1200 CD2 HIS A 90 12.307 0.766 -1.172 1.00 0.00 C flip ATOM 1201 CE1 HIS A 90 10.397 0.487 -0.170 1.00 0.00 C flip ATOM 1202 NE2 HIS A 90 11.701 0.849 0.002 1.00 0.00 N flip ATOM 0 H HIS A 90 10.480 -1.961 -3.165 1.00 0.00 H new ATOM 0 HA HIS A 90 9.774 0.458 -4.295 1.00 0.00 H new ATOM 0 HB2 HIS A 90 12.519 -0.610 -3.641 1.00 0.00 H new ATOM 0 HB3 HIS A 90 12.139 1.070 -3.967 1.00 0.00 H new ATOM 0 HD2 HIS A 90 13.346 0.989 -1.364 1.00 0.00 H new ATOM 0 HE1 HIS A 90 9.646 0.453 0.605 1.00 0.00 H new ATOM 0 HE2 HIS A 90 12.133 1.134 0.881 1.00 0.00 H new ATOM 1210 N GLU A 91 11.245 -1.526 -6.387 1.00 0.00 N ATOM 1211 CA GLU A 91 11.597 -1.713 -7.785 1.00 0.00 C ATOM 1212 C GLU A 91 10.352 -1.594 -8.666 1.00 0.00 C ATOM 1213 O GLU A 91 10.375 -0.916 -9.692 1.00 0.00 O ATOM 1214 CB GLU A 91 12.294 -3.057 -7.999 1.00 0.00 C ATOM 1215 CG GLU A 91 13.781 -2.862 -8.301 1.00 0.00 C ATOM 1216 CD GLU A 91 14.237 -3.786 -9.432 1.00 0.00 C ATOM 1217 OE1 GLU A 91 14.567 -4.950 -9.116 1.00 0.00 O ATOM 1218 OE2 GLU A 91 14.246 -3.308 -10.587 1.00 0.00 O ATOM 0 H GLU A 91 11.296 -2.371 -5.818 1.00 0.00 H new ATOM 0 HA GLU A 91 12.297 -0.928 -8.072 1.00 0.00 H new ATOM 0 HB2 GLU A 91 12.178 -3.676 -7.110 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.819 -3.590 -8.823 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.966 -1.824 -8.578 1.00 0.00 H new ATOM 0 HG3 GLU A 91 14.367 -3.063 -7.404 1.00 0.00 H new ATOM 1225 N ALA A 92 9.293 -2.264 -8.233 1.00 0.00 N ATOM 1226 CA ALA A 92 8.041 -2.242 -8.970 1.00 0.00 C ATOM 1227 C ALA A 92 7.399 -0.860 -8.834 1.00 0.00 C ATOM 1228 O ALA A 92 6.861 -0.324 -9.802 1.00 0.00 O ATOM 1229 CB ALA A 92 7.130 -3.361 -8.462 1.00 0.00 C ATOM 0 H ALA A 92 9.277 -2.825 -7.381 1.00 0.00 H new ATOM 0 HA ALA A 92 8.216 -2.421 -10.031 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.191 -3.345 -9.015 1.00 0.00 H new ATOM 0 HB2 ALA A 92 7.620 -4.324 -8.608 1.00 0.00 H new ATOM 0 HB3 ALA A 92 6.929 -3.213 -7.401 1.00 0.00 H new ATOM 1235 N LEU A 93 7.476 -0.323 -7.626 1.00 0.00 N ATOM 1236 CA LEU A 93 6.909 0.986 -7.351 1.00 0.00 C ATOM 1237 C LEU A 93 8.027 1.947 -6.942 1.00 0.00 C ATOM 1238 O LEU A 93 8.023 2.472 -5.830 1.00 0.00 O ATOM 1239 CB LEU A 93 5.784 0.877 -6.320 1.00 0.00 C ATOM 1240 CG LEU A 93 4.504 0.186 -6.794 1.00 0.00 C ATOM 1241 CD1 LEU A 93 4.148 0.610 -8.220 1.00 0.00 C ATOM 1242 CD2 LEU A 93 4.619 -1.333 -6.659 1.00 0.00 C ATOM 0 H LEU A 93 7.923 -0.771 -6.826 1.00 0.00 H new ATOM 0 HA LEU A 93 6.448 1.397 -8.249 1.00 0.00 H new ATOM 0 HB2 LEU A 93 6.164 0.338 -5.452 1.00 0.00 H new ATOM 0 HB3 LEU A 93 5.528 1.882 -5.984 1.00 0.00 H new ATOM 0 HG LEU A 93 3.685 0.505 -6.150 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.234 0.104 -8.533 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.995 1.689 -8.251 1.00 0.00 H new ATOM 0 HD13 LEU A 93 4.961 0.339 -8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 93 3.696 -1.800 -7.003 1.00 0.00 H new ATOM 0 HD22 LEU A 93 5.453 -1.690 -7.263 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.790 -1.594 -5.615 1.00 0.00 H new ATOM 1254 N SER A 94 8.959 2.147 -7.863 1.00 0.00 N ATOM 1255 CA SER A 94 10.081 3.034 -7.612 1.00 0.00 C ATOM 1256 C SER A 94 9.658 4.488 -7.832 1.00 0.00 C ATOM 1257 O SER A 94 10.268 5.405 -7.285 1.00 0.00 O ATOM 1258 CB SER A 94 11.270 2.686 -8.509 1.00 0.00 C ATOM 1259 OG SER A 94 12.393 2.233 -7.756 1.00 0.00 O ATOM 0 H SER A 94 8.959 1.709 -8.784 1.00 0.00 H new ATOM 0 HA SER A 94 10.393 2.906 -6.575 1.00 0.00 H new ATOM 0 HB2 SER A 94 10.974 1.914 -9.219 1.00 0.00 H new ATOM 0 HB3 SER A 94 11.554 3.563 -9.091 1.00 0.00 H new ATOM 0 HG SER A 94 12.110 1.526 -7.139 1.00 0.00 H new ATOM 1265 N GLU A 95 8.617 4.653 -8.634 1.00 0.00 N ATOM 1266 CA GLU A 95 8.105 5.979 -8.934 1.00 0.00 C ATOM 1267 C GLU A 95 7.122 6.426 -7.850 1.00 0.00 C ATOM 1268 O GLU A 95 6.775 7.604 -7.769 1.00 0.00 O ATOM 1269 CB GLU A 95 7.450 6.015 -10.316 1.00 0.00 C ATOM 1270 CG GLU A 95 8.417 6.566 -11.366 1.00 0.00 C ATOM 1271 CD GLU A 95 7.932 7.914 -11.905 1.00 0.00 C ATOM 1272 OE1 GLU A 95 7.872 8.862 -11.092 1.00 0.00 O ATOM 1273 OE2 GLU A 95 7.631 7.965 -13.117 1.00 0.00 O ATOM 0 H GLU A 95 8.114 3.890 -9.086 1.00 0.00 H new ATOM 0 HA GLU A 95 8.943 6.676 -8.948 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.134 5.011 -10.599 1.00 0.00 H new ATOM 0 HB3 GLU A 95 6.553 6.634 -10.282 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.408 6.681 -10.928 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.512 5.855 -12.187 1.00 0.00 H new ATOM 1280 N GLU A 96 6.701 5.463 -7.044 1.00 0.00 N ATOM 1281 CA GLU A 96 5.765 5.742 -5.969 1.00 0.00 C ATOM 1282 C GLU A 96 6.497 6.356 -4.774 1.00 0.00 C ATOM 1283 O GLU A 96 5.952 7.214 -4.081 1.00 0.00 O ATOM 1284 CB GLU A 96 5.008 4.477 -5.558 1.00 0.00 C ATOM 1285 CG GLU A 96 4.254 3.879 -6.746 1.00 0.00 C ATOM 1286 CD GLU A 96 3.096 4.783 -7.173 1.00 0.00 C ATOM 1287 OE1 GLU A 96 2.952 5.854 -6.545 1.00 0.00 O ATOM 1288 OE2 GLU A 96 2.381 4.383 -8.117 1.00 0.00 O ATOM 0 H GLU A 96 6.991 4.488 -7.114 1.00 0.00 H new ATOM 0 HA GLU A 96 5.032 6.463 -6.330 1.00 0.00 H new ATOM 0 HB2 GLU A 96 5.709 3.743 -5.161 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.306 4.713 -4.758 1.00 0.00 H new ATOM 0 HG2 GLU A 96 4.939 3.740 -7.583 1.00 0.00 H new ATOM 0 HG3 GLU A 96 3.871 2.894 -6.480 1.00 0.00 H new ATOM 1295 N LEU A 97 7.721 5.892 -4.569 1.00 0.00 N ATOM 1296 CA LEU A 97 8.534 6.385 -3.470 1.00 0.00 C ATOM 1297 C LEU A 97 9.560 7.384 -4.008 1.00 0.00 C ATOM 1298 O LEU A 97 10.426 7.849 -3.268 1.00 0.00 O ATOM 1299 CB LEU A 97 9.156 5.219 -2.699 1.00 0.00 C ATOM 1300 CG LEU A 97 8.211 4.069 -2.344 1.00 0.00 C ATOM 1301 CD1 LEU A 97 8.850 2.716 -2.663 1.00 0.00 C ATOM 1302 CD2 LEU A 97 7.760 4.160 -0.885 1.00 0.00 C ATOM 0 H LEU A 97 8.169 5.180 -5.145 1.00 0.00 H new ATOM 0 HA LEU A 97 7.916 6.920 -2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 97 9.979 4.817 -3.289 1.00 0.00 H new ATOM 0 HB3 LEU A 97 9.586 5.608 -1.776 1.00 0.00 H new ATOM 0 HG LEU A 97 7.318 4.157 -2.963 1.00 0.00 H new ATOM 0 HD11 LEU A 97 8.158 1.916 -2.401 1.00 0.00 H new ATOM 0 HD12 LEU A 97 9.079 2.664 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 97 9.769 2.603 -2.088 1.00 0.00 H new ATOM 0 HD21 LEU A 97 7.089 3.331 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 97 8.631 4.111 -0.231 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.238 5.103 -0.724 1.00 0.00 H new ATOM 1314 N ALA A 98 9.430 7.684 -5.291 1.00 0.00 N ATOM 1315 CA ALA A 98 10.335 8.619 -5.937 1.00 0.00 C ATOM 1316 C ALA A 98 9.539 9.820 -6.452 1.00 0.00 C ATOM 1317 O ALA A 98 9.841 10.359 -7.516 1.00 0.00 O ATOM 1318 CB ALA A 98 11.098 7.903 -7.053 1.00 0.00 C ATOM 0 H ALA A 98 8.711 7.296 -5.902 1.00 0.00 H new ATOM 0 HA ALA A 98 11.072 8.993 -5.226 1.00 0.00 H new ATOM 0 HB1 ALA A 98 11.777 8.605 -7.538 1.00 0.00 H new ATOM 0 HB2 ALA A 98 11.670 7.077 -6.631 1.00 0.00 H new ATOM 0 HB3 ALA A 98 10.391 7.516 -7.787 1.00 0.00 H new ATOM 1324 N GLY A 99 8.538 10.204 -5.673 1.00 0.00 N ATOM 1325 CA GLY A 99 7.696 11.331 -6.038 1.00 0.00 C ATOM 1326 C GLY A 99 6.669 11.625 -4.942 1.00 0.00 C ATOM 1327 O GLY A 99 6.847 12.551 -4.152 1.00 0.00 O ATOM 0 H GLY A 99 8.291 9.755 -4.791 1.00 0.00 H new ATOM 0 HA2 GLY A 99 8.315 12.212 -6.207 1.00 0.00 H new ATOM 0 HA3 GLY A 99 7.182 11.117 -6.975 1.00 0.00 H new ATOM 1331 N PRO A 100 5.590 10.798 -4.929 1.00 0.00 N ATOM 1332 CA PRO A 100 4.535 10.960 -3.944 1.00 0.00 C ATOM 1333 C PRO A 100 4.983 10.453 -2.572 1.00 0.00 C ATOM 1334 O PRO A 100 5.330 11.244 -1.696 1.00 0.00 O ATOM 1335 CB PRO A 100 3.351 10.188 -4.505 1.00 0.00 C ATOM 1336 CG PRO A 100 3.926 9.243 -5.547 1.00 0.00 C ATOM 1337 CD PRO A 100 5.347 9.690 -5.849 1.00 0.00 C ATOM 0 HA PRO A 100 4.271 12.004 -3.779 1.00 0.00 H new ATOM 0 HB2 PRO A 100 2.837 9.636 -3.718 1.00 0.00 H new ATOM 0 HB3 PRO A 100 2.620 10.863 -4.951 1.00 0.00 H new ATOM 0 HG2 PRO A 100 3.919 8.218 -5.177 1.00 0.00 H new ATOM 0 HG3 PRO A 100 3.320 9.260 -6.453 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.059 8.880 -5.690 1.00 0.00 H new ATOM 0 HD3 PRO A 100 5.450 10.007 -6.887 1.00 0.00 H new ATOM 1345 N VAL A 101 4.962 9.136 -2.427 1.00 0.00 N ATOM 1346 CA VAL A 101 5.362 8.514 -1.177 1.00 0.00 C ATOM 1347 C VAL A 101 6.790 8.942 -0.833 1.00 0.00 C ATOM 1348 O VAL A 101 7.684 8.868 -1.675 1.00 0.00 O ATOM 1349 CB VAL A 101 5.200 6.995 -1.272 1.00 0.00 C ATOM 1350 CG1 VAL A 101 5.299 6.345 0.109 1.00 0.00 C ATOM 1351 CG2 VAL A 101 3.883 6.626 -1.958 1.00 0.00 C ATOM 0 H VAL A 101 4.674 8.483 -3.155 1.00 0.00 H new ATOM 0 HA VAL A 101 4.718 8.846 -0.363 1.00 0.00 H new ATOM 0 HB VAL A 101 6.016 6.609 -1.883 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.180 5.266 0.013 1.00 0.00 H new ATOM 0 HG12 VAL A 101 6.273 6.565 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.514 6.740 0.754 1.00 0.00 H new ATOM 0 HG21 VAL A 101 3.793 5.541 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 101 3.049 7.031 -1.386 1.00 0.00 H new ATOM 0 HG23 VAL A 101 3.868 7.043 -2.965 1.00 0.00 H new ATOM 1361 N HIS A 102 6.960 9.380 0.406 1.00 0.00 N ATOM 1362 CA HIS A 102 8.264 9.820 0.871 1.00 0.00 C ATOM 1363 C HIS A 102 8.784 8.851 1.935 1.00 0.00 C ATOM 1364 O HIS A 102 9.970 8.860 2.262 1.00 0.00 O ATOM 1365 CB HIS A 102 8.205 11.267 1.366 1.00 0.00 C ATOM 1366 CG HIS A 102 7.653 11.415 2.764 1.00 0.00 C ATOM 1367 ND1 HIS A 102 7.921 12.513 3.563 1.00 0.00 N ATOM 1368 CD2 HIS A 102 6.844 10.595 3.495 1.00 0.00 C ATOM 1369 CE1 HIS A 102 7.298 12.349 4.721 1.00 0.00 C ATOM 1370 NE2 HIS A 102 6.632 11.160 4.677 1.00 0.00 N ATOM 0 H HIS A 102 6.216 9.439 1.102 1.00 0.00 H new ATOM 0 HA HIS A 102 8.972 9.809 0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 102 9.208 11.692 1.335 1.00 0.00 H new ATOM 0 HB3 HIS A 102 7.591 11.850 0.680 1.00 0.00 H new ATOM 0 HD2 HIS A 102 6.444 9.647 3.167 1.00 0.00 H new ATOM 0 HE1 HIS A 102 7.315 13.037 5.554 1.00 0.00 H new ATOM 0 HE2 HIS A 102 6.064 10.769 5.429 1.00 0.00 H new ATOM 1378 N ALA A 103 7.871 8.037 2.445 1.00 0.00 N ATOM 1379 CA ALA A 103 8.222 7.063 3.464 1.00 0.00 C ATOM 1380 C ALA A 103 7.043 6.113 3.683 1.00 0.00 C ATOM 1381 O ALA A 103 6.090 6.451 4.384 1.00 0.00 O ATOM 1382 CB ALA A 103 8.629 7.791 4.747 1.00 0.00 C ATOM 0 H ALA A 103 6.888 8.032 2.171 1.00 0.00 H new ATOM 0 HA ALA A 103 9.074 6.463 3.144 1.00 0.00 H new ATOM 0 HB1 ALA A 103 8.892 7.060 5.512 1.00 0.00 H new ATOM 0 HB2 ALA A 103 9.488 8.431 4.545 1.00 0.00 H new ATOM 0 HB3 ALA A 103 7.797 8.401 5.099 1.00 0.00 H new ATOM 1388 N LEU A 104 7.146 4.943 3.070 1.00 0.00 N ATOM 1389 CA LEU A 104 6.100 3.941 3.188 1.00 0.00 C ATOM 1390 C LEU A 104 6.656 2.713 3.912 1.00 0.00 C ATOM 1391 O LEU A 104 7.657 2.138 3.486 1.00 0.00 O ATOM 1392 CB LEU A 104 5.500 3.628 1.816 1.00 0.00 C ATOM 1393 CG LEU A 104 5.049 2.182 1.596 1.00 0.00 C ATOM 1394 CD1 LEU A 104 4.033 1.757 2.657 1.00 0.00 C ATOM 1395 CD2 LEU A 104 4.512 1.986 0.177 1.00 0.00 C ATOM 0 H LEU A 104 7.938 4.666 2.490 1.00 0.00 H new ATOM 0 HA LEU A 104 5.275 4.320 3.791 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.643 4.283 1.658 1.00 0.00 H new ATOM 0 HB3 LEU A 104 6.237 3.878 1.053 1.00 0.00 H new ATOM 0 HG LEU A 104 5.918 1.533 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.729 0.726 2.477 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.485 1.835 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.159 2.407 2.605 1.00 0.00 H new ATOM 0 HD21 LEU A 104 4.198 0.950 0.047 1.00 0.00 H new ATOM 0 HD22 LEU A 104 3.660 2.646 0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 104 5.295 2.222 -0.544 1.00 0.00 H new ATOM 1407 N ALA A 105 5.983 2.348 4.993 1.00 0.00 N ATOM 1408 CA ALA A 105 6.398 1.198 5.779 1.00 0.00 C ATOM 1409 C ALA A 105 5.821 -0.075 5.157 1.00 0.00 C ATOM 1410 O ALA A 105 4.650 -0.393 5.359 1.00 0.00 O ATOM 1411 CB ALA A 105 5.957 1.388 7.232 1.00 0.00 C ATOM 0 H ALA A 105 5.154 2.828 5.343 1.00 0.00 H new ATOM 0 HA ALA A 105 7.484 1.103 5.777 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.268 0.526 7.822 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.417 2.290 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 105 4.872 1.484 7.273 1.00 0.00 H new ATOM 1417 N ILE A 106 6.670 -0.768 4.412 1.00 0.00 N ATOM 1418 CA ILE A 106 6.259 -1.999 3.759 1.00 0.00 C ATOM 1419 C ILE A 106 6.509 -3.179 4.701 1.00 0.00 C ATOM 1420 O ILE A 106 7.492 -3.191 5.440 1.00 0.00 O ATOM 1421 CB ILE A 106 6.948 -2.141 2.400 1.00 0.00 C ATOM 1422 CG1 ILE A 106 6.797 -0.862 1.573 1.00 0.00 C ATOM 1423 CG2 ILE A 106 6.436 -3.372 1.651 1.00 0.00 C ATOM 1424 CD1 ILE A 106 7.444 -1.021 0.196 1.00 0.00 C ATOM 0 H ILE A 106 7.640 -0.500 4.246 1.00 0.00 H new ATOM 0 HA ILE A 106 5.190 -1.979 3.548 1.00 0.00 H new ATOM 0 HB ILE A 106 8.014 -2.290 2.571 1.00 0.00 H new ATOM 0 HG12 ILE A 106 5.740 -0.622 1.457 1.00 0.00 H new ATOM 0 HG13 ILE A 106 7.257 -0.027 2.101 1.00 0.00 H new ATOM 0 HG21 ILE A 106 6.942 -3.449 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 106 6.638 -4.267 2.240 1.00 0.00 H new ATOM 0 HG23 ILE A 106 5.362 -3.279 1.490 1.00 0.00 H new ATOM 0 HD11 ILE A 106 7.323 -0.098 -0.372 1.00 0.00 H new ATOM 0 HD12 ILE A 106 8.506 -1.237 0.316 1.00 0.00 H new ATOM 0 HD13 ILE A 106 6.965 -1.841 -0.338 1.00 0.00 H new ATOM 1436 N GLN A 107 5.601 -4.143 4.644 1.00 0.00 N ATOM 1437 CA GLN A 107 5.711 -5.324 5.482 1.00 0.00 C ATOM 1438 C GLN A 107 5.911 -6.572 4.619 1.00 0.00 C ATOM 1439 O GLN A 107 4.947 -7.137 4.105 1.00 0.00 O ATOM 1440 CB GLN A 107 4.484 -5.473 6.384 1.00 0.00 C ATOM 1441 CG GLN A 107 4.896 -5.772 7.826 1.00 0.00 C ATOM 1442 CD GLN A 107 3.945 -5.100 8.819 1.00 0.00 C ATOM 1443 OE1 GLN A 107 3.402 -4.035 8.575 1.00 0.00 O ATOM 1444 NE2 GLN A 107 3.773 -5.780 9.949 1.00 0.00 N ATOM 0 H GLN A 107 4.786 -4.130 4.030 1.00 0.00 H new ATOM 0 HA GLN A 107 6.583 -5.208 6.126 1.00 0.00 H new ATOM 0 HB2 GLN A 107 3.893 -4.558 6.353 1.00 0.00 H new ATOM 0 HB3 GLN A 107 3.849 -6.276 6.010 1.00 0.00 H new ATOM 0 HG2 GLN A 107 4.898 -6.849 7.991 1.00 0.00 H new ATOM 0 HG3 GLN A 107 5.914 -5.421 7.997 1.00 0.00 H new ATOM 0 HE21 GLN A 107 4.258 -6.666 10.090 1.00 0.00 H new ATOM 0 HE22 GLN A 107 3.156 -5.415 10.675 1.00 0.00 H new ATOM 1453 N ALA A 108 7.169 -6.964 4.485 1.00 0.00 N ATOM 1454 CA ALA A 108 7.508 -8.134 3.693 1.00 0.00 C ATOM 1455 C ALA A 108 7.528 -9.369 4.597 1.00 0.00 C ATOM 1456 O ALA A 108 8.393 -9.495 5.462 1.00 0.00 O ATOM 1457 CB ALA A 108 8.848 -7.904 2.990 1.00 0.00 C ATOM 0 H ALA A 108 7.966 -6.492 4.912 1.00 0.00 H new ATOM 0 HA ALA A 108 6.759 -8.304 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 108 9.103 -8.782 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 108 8.772 -7.034 2.338 1.00 0.00 H new ATOM 0 HB3 ALA A 108 9.625 -7.732 3.735 1.00 0.00 H new ATOM 1463 N LYS A 109 6.564 -10.248 4.365 1.00 0.00 N ATOM 1464 CA LYS A 109 6.460 -11.468 5.147 1.00 0.00 C ATOM 1465 C LYS A 109 6.225 -12.652 4.208 1.00 0.00 C ATOM 1466 O LYS A 109 6.207 -12.488 2.989 1.00 0.00 O ATOM 1467 CB LYS A 109 5.390 -11.320 6.230 1.00 0.00 C ATOM 1468 CG LYS A 109 5.617 -10.052 7.056 1.00 0.00 C ATOM 1469 CD LYS A 109 5.606 -10.365 8.554 1.00 0.00 C ATOM 1470 CE LYS A 109 5.442 -9.087 9.379 1.00 0.00 C ATOM 1471 NZ LYS A 109 5.586 -9.380 10.823 1.00 0.00 N ATOM 0 H LYS A 109 5.848 -10.139 3.647 1.00 0.00 H new ATOM 0 HA LYS A 109 7.393 -11.662 5.677 1.00 0.00 H new ATOM 0 HB2 LYS A 109 4.403 -11.286 5.769 1.00 0.00 H new ATOM 0 HB3 LYS A 109 5.406 -12.192 6.884 1.00 0.00 H new ATOM 0 HG2 LYS A 109 6.571 -9.601 6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 109 4.841 -9.321 6.828 1.00 0.00 H new ATOM 0 HD2 LYS A 109 4.792 -11.055 8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 109 6.534 -10.865 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 109 6.188 -8.353 9.075 1.00 0.00 H new ATOM 0 HE3 LYS A 109 4.464 -8.646 9.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 5.472 -8.502 11.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 4.859 -10.064 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 6.529 -9.780 11.004 1.00 0.00 H new ATOM 1485 N THR A 110 6.052 -13.819 4.811 1.00 0.00 N ATOM 1486 CA THR A 110 5.819 -15.031 4.043 1.00 0.00 C ATOM 1487 C THR A 110 4.459 -15.635 4.400 1.00 0.00 C ATOM 1488 O THR A 110 3.868 -15.284 5.420 1.00 0.00 O ATOM 1489 CB THR A 110 6.991 -15.982 4.293 1.00 0.00 C ATOM 1490 OG1 THR A 110 7.307 -15.789 5.669 1.00 0.00 O ATOM 1491 CG2 THR A 110 8.261 -15.552 3.556 1.00 0.00 C ATOM 0 H THR A 110 6.068 -13.951 5.822 1.00 0.00 H new ATOM 0 HA THR A 110 5.775 -14.820 2.974 1.00 0.00 H new ATOM 0 HB THR A 110 6.714 -16.989 3.982 1.00 0.00 H new ATOM 0 HG1 THR A 110 8.280 -15.793 5.785 1.00 0.00 H new ATOM 0 HG21 THR A 110 9.062 -16.261 3.767 1.00 0.00 H new ATOM 0 HG22 THR A 110 8.069 -15.530 2.483 1.00 0.00 H new ATOM 0 HG23 THR A 110 8.558 -14.558 3.892 1.00 0.00 H new ATOM 1499 N PRO A 111 3.991 -16.558 3.518 1.00 0.00 N ATOM 1500 CA PRO A 111 2.712 -17.215 3.730 1.00 0.00 C ATOM 1501 C PRO A 111 2.814 -18.270 4.833 1.00 0.00 C ATOM 1502 O PRO A 111 1.831 -18.938 5.151 1.00 0.00 O ATOM 1503 CB PRO A 111 2.342 -17.802 2.378 1.00 0.00 C ATOM 1504 CG PRO A 111 3.635 -17.855 1.579 1.00 0.00 C ATOM 1505 CD PRO A 111 4.664 -16.999 2.300 1.00 0.00 C ATOM 0 HA PRO A 111 1.939 -16.529 4.076 1.00 0.00 H new ATOM 0 HB2 PRO A 111 1.910 -18.797 2.489 1.00 0.00 H new ATOM 0 HB3 PRO A 111 1.597 -17.185 1.875 1.00 0.00 H new ATOM 0 HG2 PRO A 111 3.988 -18.883 1.491 1.00 0.00 H new ATOM 0 HG3 PRO A 111 3.473 -17.486 0.566 1.00 0.00 H new ATOM 0 HD2 PRO A 111 5.564 -17.570 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 111 4.972 -16.151 1.689 1.00 0.00 H new ATOM 1513 N ALA A 112 4.012 -18.388 5.386 1.00 0.00 N ATOM 1514 CA ALA A 112 4.255 -19.351 6.447 1.00 0.00 C ATOM 1515 C ALA A 112 4.398 -18.612 7.778 1.00 0.00 C ATOM 1516 O ALA A 112 4.337 -19.225 8.843 1.00 0.00 O ATOM 1517 CB ALA A 112 5.493 -20.184 6.107 1.00 0.00 C ATOM 0 H ALA A 112 4.825 -17.833 5.119 1.00 0.00 H new ATOM 0 HA ALA A 112 3.415 -20.039 6.540 1.00 0.00 H new ATOM 0 HB1 ALA A 112 5.675 -20.906 6.903 1.00 0.00 H new ATOM 0 HB2 ALA A 112 5.329 -20.712 5.168 1.00 0.00 H new ATOM 0 HB3 ALA A 112 6.357 -19.527 6.008 1.00 0.00 H new ATOM 1523 N GLN A 113 4.585 -17.304 7.675 1.00 0.00 N ATOM 1524 CA GLN A 113 4.737 -16.474 8.858 1.00 0.00 C ATOM 1525 C GLN A 113 3.442 -15.711 9.141 1.00 0.00 C ATOM 1526 O GLN A 113 3.079 -15.503 10.298 1.00 0.00 O ATOM 1527 CB GLN A 113 5.918 -15.513 8.706 1.00 0.00 C ATOM 1528 CG GLN A 113 7.247 -16.271 8.721 1.00 0.00 C ATOM 1529 CD GLN A 113 7.997 -16.038 10.034 1.00 0.00 C ATOM 1530 OE1 GLN A 113 7.827 -16.750 11.010 1.00 0.00 O ATOM 1531 NE2 GLN A 113 8.832 -15.004 10.004 1.00 0.00 N ATOM 0 H GLN A 113 4.635 -16.799 6.790 1.00 0.00 H new ATOM 0 HA GLN A 113 4.947 -17.123 9.708 1.00 0.00 H new ATOM 0 HB2 GLN A 113 5.822 -14.958 7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 113 5.903 -14.782 9.514 1.00 0.00 H new ATOM 0 HG2 GLN A 113 7.063 -17.337 8.587 1.00 0.00 H new ATOM 0 HG3 GLN A 113 7.864 -15.947 7.883 1.00 0.00 H new ATOM 0 HE21 GLN A 113 8.926 -14.449 9.153 1.00 0.00 H new ATOM 0 HE22 GLN A 113 9.378 -14.766 10.832 1.00 0.00 H new ATOM 1540 N TRP A 114 2.780 -15.313 8.065 1.00 0.00 N ATOM 1541 CA TRP A 114 1.533 -14.577 8.182 1.00 0.00 C ATOM 1542 C TRP A 114 0.534 -15.457 8.937 1.00 0.00 C ATOM 1543 O TRP A 114 -0.353 -14.948 9.622 1.00 0.00 O ATOM 1544 CB TRP A 114 1.023 -14.138 6.808 1.00 0.00 C ATOM 1545 CG TRP A 114 -0.352 -13.468 6.839 1.00 0.00 C ATOM 1546 CD1 TRP A 114 -1.553 -14.041 6.688 1.00 0.00 C ATOM 1547 CD2 TRP A 114 -0.619 -12.064 7.041 1.00 0.00 C ATOM 1548 NE1 TRP A 114 -2.571 -13.114 6.778 1.00 0.00 N ATOM 1549 CE2 TRP A 114 -1.985 -11.873 6.999 1.00 0.00 C ATOM 1550 CE3 TRP A 114 0.264 -10.990 7.252 1.00 0.00 C ATOM 1551 CZ2 TRP A 114 -2.590 -10.620 7.159 1.00 0.00 C ATOM 1552 CZ3 TRP A 114 -0.356 -9.745 7.410 1.00 0.00 C ATOM 1553 CH2 TRP A 114 -1.729 -9.537 7.370 1.00 0.00 C ATOM 0 H TRP A 114 3.084 -15.487 7.107 1.00 0.00 H new ATOM 0 HA TRP A 114 1.681 -13.655 8.745 1.00 0.00 H new ATOM 0 HB2 TRP A 114 1.743 -13.447 6.369 1.00 0.00 H new ATOM 0 HB3 TRP A 114 0.977 -15.009 6.154 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -1.706 -15.096 6.517 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.570 -13.304 6.697 1.00 0.00 H new ATOM 0 HE3 TRP A 114 1.336 -11.116 7.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -3.662 -10.496 7.122 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 0.277 -8.886 7.575 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -2.131 -8.543 7.501 1.00 0.00 H new ATOM 1564 N ARG A 115 0.712 -16.761 8.788 1.00 0.00 N ATOM 1565 CA ARG A 115 -0.163 -17.716 9.447 1.00 0.00 C ATOM 1566 C ARG A 115 -0.064 -17.565 10.967 1.00 0.00 C ATOM 1567 O ARG A 115 -1.081 -17.455 11.650 1.00 0.00 O ATOM 1568 CB ARG A 115 0.198 -19.151 9.060 1.00 0.00 C ATOM 1569 CG ARG A 115 0.015 -19.376 7.558 1.00 0.00 C ATOM 1570 CD ARG A 115 0.382 -20.810 7.170 1.00 0.00 C ATOM 1571 NE ARG A 115 -0.539 -21.764 7.829 1.00 0.00 N ATOM 1572 CZ ARG A 115 -0.607 -23.069 7.533 1.00 0.00 C ATOM 1573 NH1 ARG A 115 0.191 -23.584 6.587 1.00 0.00 N ATOM 1574 NH2 ARG A 115 -1.472 -23.859 8.182 1.00 0.00 N ATOM 0 H ARG A 115 1.449 -17.179 8.221 1.00 0.00 H new ATOM 0 HA ARG A 115 -1.183 -17.510 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 115 1.231 -19.358 9.339 1.00 0.00 H new ATOM 0 HB3 ARG A 115 -0.428 -19.850 9.615 1.00 0.00 H new ATOM 0 HG2 ARG A 115 -1.019 -19.173 7.280 1.00 0.00 H new ATOM 0 HG3 ARG A 115 0.638 -18.674 7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 115 0.328 -20.928 6.088 1.00 0.00 H new ATOM 0 HD3 ARG A 115 1.410 -21.023 7.463 1.00 0.00 H new ATOM 0 HE ARG A 115 -1.161 -21.405 8.554 1.00 0.00 H new ATOM 0 HH11 ARG A 115 0.850 -22.982 6.093 1.00 0.00 H new ATOM 0 HH12 ARG A 115 0.139 -24.577 6.362 1.00 0.00 H new ATOM 0 HH21 ARG A 115 -2.079 -23.467 8.902 1.00 0.00 H new ATOM 0 HH22 ARG A 115 -1.524 -24.852 7.956 1.00 0.00 H new ATOM 1588 N GLU A 116 1.169 -17.563 11.450 1.00 0.00 N ATOM 1589 CA GLU A 116 1.414 -17.427 12.876 1.00 0.00 C ATOM 1590 C GLU A 116 0.805 -16.124 13.397 1.00 0.00 C ATOM 1591 O GLU A 116 0.045 -16.133 14.365 1.00 0.00 O ATOM 1592 CB GLU A 116 2.911 -17.495 13.185 1.00 0.00 C ATOM 1593 CG GLU A 116 3.431 -18.928 13.064 1.00 0.00 C ATOM 1594 CD GLU A 116 3.603 -19.567 14.444 1.00 0.00 C ATOM 1595 OE1 GLU A 116 2.575 -19.690 15.145 1.00 0.00 O ATOM 1596 OE2 GLU A 116 4.759 -19.917 14.768 1.00 0.00 O ATOM 0 H GLU A 116 2.010 -17.653 10.879 1.00 0.00 H new ATOM 0 HA GLU A 116 0.933 -18.260 13.388 1.00 0.00 H new ATOM 0 HB2 GLU A 116 3.457 -16.847 12.500 1.00 0.00 H new ATOM 0 HB3 GLU A 116 3.095 -17.121 14.192 1.00 0.00 H new ATOM 0 HG2 GLU A 116 2.737 -19.521 12.468 1.00 0.00 H new ATOM 0 HG3 GLU A 116 4.385 -18.929 12.537 1.00 0.00 H new ATOM 1603 N ASN A 117 1.161 -15.035 12.733 1.00 0.00 N ATOM 1604 CA ASN A 117 0.659 -13.726 13.117 1.00 0.00 C ATOM 1605 C ASN A 117 0.241 -12.957 11.862 1.00 0.00 C ATOM 1606 O ASN A 117 1.023 -12.179 11.317 1.00 0.00 O ATOM 1607 CB ASN A 117 1.737 -12.911 13.834 1.00 0.00 C ATOM 1608 CG ASN A 117 1.134 -11.680 14.512 1.00 0.00 C ATOM 1609 OD1 ASN A 117 0.103 -11.739 15.161 1.00 0.00 O ATOM 1610 ND2 ASN A 117 1.832 -10.563 14.325 1.00 0.00 N ATOM 0 H ASN A 117 1.791 -15.032 11.931 1.00 0.00 H new ATOM 0 HA ASN A 117 -0.187 -13.873 13.788 1.00 0.00 H new ATOM 0 HB2 ASN A 117 2.234 -13.534 14.578 1.00 0.00 H new ATOM 0 HB3 ASN A 117 2.499 -12.600 13.119 1.00 0.00 H new ATOM 0 HD21 ASN A 117 1.512 -9.686 14.736 1.00 0.00 H new ATOM 0 HD22 ASN A 117 2.688 -10.583 13.770 1.00 0.00 H new ATOM 1617 N PRO A 118 -1.023 -13.207 11.429 1.00 0.00 N ATOM 1618 CA PRO A 118 -1.555 -12.546 10.249 1.00 0.00 C ATOM 1619 C PRO A 118 -1.909 -11.088 10.549 1.00 0.00 C ATOM 1620 O PRO A 118 -2.407 -10.375 9.679 1.00 0.00 O ATOM 1621 CB PRO A 118 -2.760 -13.378 9.841 1.00 0.00 C ATOM 1622 CG PRO A 118 -3.134 -14.197 11.066 1.00 0.00 C ATOM 1623 CD PRO A 118 -1.978 -14.121 12.049 1.00 0.00 C ATOM 0 HA PRO A 118 -0.831 -12.492 9.436 1.00 0.00 H new ATOM 0 HB2 PRO A 118 -3.588 -12.741 9.530 1.00 0.00 H new ATOM 0 HB3 PRO A 118 -2.521 -14.025 8.997 1.00 0.00 H new ATOM 0 HG2 PRO A 118 -4.047 -13.810 11.520 1.00 0.00 H new ATOM 0 HG3 PRO A 118 -3.331 -15.232 10.787 1.00 0.00 H new ATOM 0 HD2 PRO A 118 -2.308 -13.751 13.020 1.00 0.00 H new ATOM 0 HD3 PRO A 118 -1.535 -15.103 12.216 1.00 0.00 H new ATOM 1631 N GLN A 119 -1.637 -10.689 11.783 1.00 0.00 N ATOM 1632 CA GLN A 119 -1.921 -9.329 12.208 1.00 0.00 C ATOM 1633 C GLN A 119 -0.832 -8.378 11.707 1.00 0.00 C ATOM 1634 O GLN A 119 0.179 -8.818 11.163 1.00 0.00 O ATOM 1635 CB GLN A 119 -2.061 -9.248 13.730 1.00 0.00 C ATOM 1636 CG GLN A 119 -3.093 -10.257 14.239 1.00 0.00 C ATOM 1637 CD GLN A 119 -2.990 -10.428 15.756 1.00 0.00 C ATOM 1638 OE1 GLN A 119 -2.373 -11.351 16.263 1.00 0.00 O ATOM 1639 NE2 GLN A 119 -3.626 -9.489 16.451 1.00 0.00 N ATOM 0 H GLN A 119 -1.223 -11.283 12.501 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.872 -9.024 11.771 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -1.096 -9.441 14.199 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -2.359 -8.240 14.018 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.096 -9.922 13.974 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -2.939 -11.219 13.750 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -4.124 -8.744 15.964 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -3.616 -9.514 17.471 1.00 0.00 H new ATOM 1648 N LEU A 120 -1.076 -7.091 11.909 1.00 0.00 N ATOM 1649 CA LEU A 120 -0.130 -6.074 11.484 1.00 0.00 C ATOM 1650 C LEU A 120 -0.047 -4.982 12.552 1.00 0.00 C ATOM 1651 O LEU A 120 -0.926 -4.877 13.407 1.00 0.00 O ATOM 1652 CB LEU A 120 -0.495 -5.549 10.094 1.00 0.00 C ATOM 1653 CG LEU A 120 -0.323 -6.536 8.938 1.00 0.00 C ATOM 1654 CD1 LEU A 120 -1.185 -6.133 7.740 1.00 0.00 C ATOM 1655 CD2 LEU A 120 1.152 -6.684 8.558 1.00 0.00 C ATOM 0 H LEU A 120 -1.916 -6.730 12.362 1.00 0.00 H new ATOM 0 HA LEU A 120 0.868 -6.500 11.386 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -1.534 -5.220 10.113 1.00 0.00 H new ATOM 0 HB3 LEU A 120 0.114 -4.669 9.888 1.00 0.00 H new ATOM 0 HG LEU A 120 -0.670 -7.514 9.270 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -1.044 -6.851 6.932 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -2.234 -6.120 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.892 -5.140 7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 120 1.246 -7.391 7.734 1.00 0.00 H new ATOM 0 HD22 LEU A 120 1.548 -5.716 8.252 1.00 0.00 H new ATOM 0 HD23 LEU A 120 1.714 -7.051 9.417 1.00 0.00 H new