USER MOD reduce.3.24.130724 H: found=0, std=0, add=562, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 561 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 73 THR OG1 : rot 40:sc= -3.26! USER MOD Set 1.2: A 77 ASN : amide:sc= -5.15! C(o=-8.4!,f=-11!) USER MOD Set 2.1: A 56 MET CE :methyl -152:sc= -2.89 (180deg=-5.23!) USER MOD Set 2.2: A 64 MET CE :methyl -139:sc= -2.09 (180deg=-5.07!) USER MOD Set 3.1: A 43 TYR OH : rot 120:sc= -0.463 USER MOD Set 3.2: A 84 HIS : no HD1:sc= -1.39 K(o=-1.9,f=0.26) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0.0698 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.172 USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 31 HIS : no HD1:sc= -2.93! C(o=-2.9!,f=-2.8!) USER MOD Single : A 34 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.36) USER MOD Single : A 41 LYS NZ :NH3+ -158:sc= -0.044 (180deg=-0.385) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= -0.0225 USER MOD Single : A 54 GLN : amide:sc= -0.467 K(o=-0.47,f=-3.7!) USER MOD Single : A 55 ASN : amide:sc= -0.135 K(o=-0.13,f=-3.2!) USER MOD Single : A 59 LYS NZ :NH3+ -120:sc= -0.937 (180deg=-1.93) USER MOD Single : A 62 CYS SG : rot 65:sc= -0.542 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -0.145 K(o=-0.14,f=-0.77) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 92:sc= 0.519 USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 265 N VAL A 20 5.569 13.960 23.049 1.00 0.00 N ATOM 266 CA VAL A 20 5.240 13.172 24.230 1.00 0.00 C ATOM 267 C VAL A 20 6.394 13.166 25.226 1.00 0.00 C ATOM 268 O VAL A 20 7.558 13.347 24.866 1.00 0.00 O ATOM 269 CB VAL A 20 4.891 11.719 23.855 1.00 0.00 C ATOM 270 CG1 VAL A 20 3.516 11.649 23.211 1.00 0.00 C ATOM 271 CG2 VAL A 20 5.952 11.138 22.933 1.00 0.00 C ATOM 0 HA VAL A 20 4.370 13.640 24.691 1.00 0.00 H new ATOM 0 HB VAL A 20 4.868 11.122 24.767 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.287 10.615 22.953 1.00 0.00 H new ATOM 0 HG12 VAL A 20 2.768 12.023 23.910 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.506 12.259 22.308 1.00 0.00 H new ATOM 0 HG21 VAL A 20 5.690 10.111 22.678 1.00 0.00 H new ATOM 0 HG22 VAL A 20 6.009 11.735 22.023 1.00 0.00 H new ATOM 0 HG23 VAL A 20 6.919 11.151 23.437 1.00 0.00 H new ATOM 281 N PRO A 21 6.068 12.951 26.509 1.00 0.00 N ATOM 282 CA PRO A 21 7.064 12.915 27.584 1.00 0.00 C ATOM 283 C PRO A 21 7.959 11.683 27.503 1.00 0.00 C ATOM 284 O PRO A 21 7.602 10.684 26.879 1.00 0.00 O ATOM 285 CB PRO A 21 6.213 12.875 28.855 1.00 0.00 C ATOM 286 CG PRO A 21 4.919 12.273 28.426 1.00 0.00 C ATOM 287 CD PRO A 21 4.701 12.726 27.009 1.00 0.00 C ATOM 0 HA PRO A 21 7.745 13.765 27.538 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.690 12.277 29.632 1.00 0.00 H new ATOM 0 HB3 PRO A 21 6.068 13.874 29.266 1.00 0.00 H new ATOM 0 HG2 PRO A 21 4.956 11.185 28.487 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.103 12.601 29.070 1.00 0.00 H new ATOM 0 HD2 PRO A 21 4.177 11.971 26.422 1.00 0.00 H new ATOM 0 HD3 PRO A 21 4.102 13.636 26.965 1.00 0.00 H new ATOM 295 N ALA A 22 9.123 11.760 28.140 1.00 0.00 N ATOM 296 CA ALA A 22 10.068 10.650 28.142 1.00 0.00 C ATOM 297 C ALA A 22 9.426 9.384 28.700 1.00 0.00 C ATOM 298 O ALA A 22 9.266 8.393 27.988 1.00 0.00 O ATOM 299 CB ALA A 22 11.308 11.014 28.945 1.00 0.00 C ATOM 0 H ALA A 22 9.434 12.580 28.661 1.00 0.00 H new ATOM 0 HA ALA A 22 10.362 10.453 27.111 1.00 0.00 H new ATOM 0 HB1 ALA A 22 12.005 10.176 28.938 1.00 0.00 H new ATOM 0 HB2 ALA A 22 11.786 11.887 28.501 1.00 0.00 H new ATOM 0 HB3 ALA A 22 11.023 11.240 29.972 1.00 0.00 H new ATOM 305 N ASP A 23 9.063 9.425 29.977 1.00 0.00 N ATOM 306 CA ASP A 23 8.438 8.281 30.631 1.00 0.00 C ATOM 307 C ASP A 23 7.085 7.966 30.000 1.00 0.00 C ATOM 308 O ASP A 23 6.180 8.800 29.964 1.00 0.00 O ATOM 309 CB ASP A 23 8.266 8.552 32.126 1.00 0.00 C ATOM 310 CG ASP A 23 8.957 7.511 32.986 1.00 0.00 C ATOM 311 OD1 ASP A 23 8.913 6.317 32.622 1.00 0.00 O ATOM 312 OD2 ASP A 23 9.540 7.890 34.023 1.00 0.00 O ATOM 0 H ASP A 23 9.191 10.238 30.580 1.00 0.00 H new ATOM 0 HA ASP A 23 9.090 7.418 30.499 1.00 0.00 H new ATOM 0 HB2 ASP A 23 8.666 9.538 32.362 1.00 0.00 H new ATOM 0 HB3 ASP A 23 7.204 8.573 32.369 1.00 0.00 H new ATOM 317 N PRO A 24 6.942 6.734 29.488 1.00 0.00 N ATOM 318 CA PRO A 24 5.704 6.281 28.849 1.00 0.00 C ATOM 319 C PRO A 24 4.566 6.104 29.849 1.00 0.00 C ATOM 320 O PRO A 24 3.392 6.105 29.476 1.00 0.00 O ATOM 321 CB PRO A 24 6.093 4.933 28.237 1.00 0.00 C ATOM 322 CG PRO A 24 7.233 4.455 29.068 1.00 0.00 C ATOM 323 CD PRO A 24 7.979 5.689 29.495 1.00 0.00 C ATOM 0 HA PRO A 24 5.333 7.003 28.122 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.260 4.230 28.265 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.383 5.042 27.192 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.878 3.895 29.933 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.878 3.786 28.498 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.422 5.569 30.484 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.792 5.925 28.808 1.00 0.00 H new ATOM 331 N THR A 25 4.921 5.953 31.121 1.00 0.00 N ATOM 332 CA THR A 25 3.930 5.775 32.175 1.00 0.00 C ATOM 333 C THR A 25 3.127 7.052 32.397 1.00 0.00 C ATOM 334 O THR A 25 2.040 7.021 32.975 1.00 0.00 O ATOM 335 CB THR A 25 4.590 5.359 33.502 1.00 0.00 C ATOM 336 OG1 THR A 25 5.872 5.986 33.630 1.00 0.00 O ATOM 337 CG2 THR A 25 4.750 3.848 33.578 1.00 0.00 C ATOM 0 H THR A 25 5.888 5.950 31.446 1.00 0.00 H new ATOM 0 HA THR A 25 3.259 4.981 31.847 1.00 0.00 H new ATOM 0 HB THR A 25 3.944 5.682 34.319 1.00 0.00 H new ATOM 0 HG1 THR A 25 6.284 5.717 34.477 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.219 3.579 34.525 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.771 3.375 33.510 1.00 0.00 H new ATOM 0 HG23 THR A 25 5.376 3.506 32.753 1.00 0.00 H new ATOM 345 N LEU A 26 3.669 8.173 31.935 1.00 0.00 N ATOM 346 CA LEU A 26 3.003 9.462 32.083 1.00 0.00 C ATOM 347 C LEU A 26 2.094 9.746 30.891 1.00 0.00 C ATOM 348 O LEU A 26 1.371 10.742 30.873 1.00 0.00 O ATOM 349 CB LEU A 26 4.037 10.580 32.228 1.00 0.00 C ATOM 350 CG LEU A 26 5.021 10.438 33.389 1.00 0.00 C ATOM 351 CD1 LEU A 26 6.087 11.521 33.322 1.00 0.00 C ATOM 352 CD2 LEU A 26 4.287 10.491 34.721 1.00 0.00 C ATOM 0 H LEU A 26 4.568 8.215 31.455 1.00 0.00 H new ATOM 0 HA LEU A 26 2.390 9.424 32.983 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.607 10.643 31.301 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.507 11.526 32.341 1.00 0.00 H new ATOM 0 HG LEU A 26 5.512 9.468 33.306 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.778 11.403 34.157 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.634 11.436 32.383 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.614 12.501 33.378 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.004 10.388 35.536 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.768 11.445 34.813 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.563 9.678 34.770 1.00 0.00 H new ATOM 364 N TRP A 27 2.136 8.863 29.900 1.00 0.00 N ATOM 365 CA TRP A 27 1.314 9.017 28.705 1.00 0.00 C ATOM 366 C TRP A 27 -0.168 8.915 29.046 1.00 0.00 C ATOM 367 O TRP A 27 -0.594 7.992 29.742 1.00 0.00 O ATOM 368 CB TRP A 27 1.685 7.958 27.665 1.00 0.00 C ATOM 369 CG TRP A 27 2.995 8.225 26.987 1.00 0.00 C ATOM 370 CD1 TRP A 27 3.740 9.367 27.065 1.00 0.00 C ATOM 371 CD2 TRP A 27 3.711 7.333 26.126 1.00 0.00 C ATOM 372 NE1 TRP A 27 4.878 9.238 26.304 1.00 0.00 N ATOM 373 CE2 TRP A 27 4.883 8.000 25.718 1.00 0.00 C ATOM 374 CE3 TRP A 27 3.478 6.037 25.661 1.00 0.00 C ATOM 375 CZ2 TRP A 27 5.816 7.412 24.868 1.00 0.00 C ATOM 376 CZ3 TRP A 27 4.404 5.455 24.817 1.00 0.00 C ATOM 377 CH2 TRP A 27 5.562 6.141 24.428 1.00 0.00 C ATOM 0 H TRP A 27 2.730 8.034 29.900 1.00 0.00 H new ATOM 0 HA TRP A 27 1.504 10.006 28.289 1.00 0.00 H new ATOM 0 HB2 TRP A 27 1.727 6.982 28.149 1.00 0.00 H new ATOM 0 HB3 TRP A 27 0.898 7.907 26.912 1.00 0.00 H new ATOM 0 HD1 TRP A 27 3.475 10.242 27.640 1.00 0.00 H new ATOM 0 HE1 TRP A 27 5.601 9.949 26.194 1.00 0.00 H new ATOM 0 HE3 TRP A 27 2.589 5.499 25.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 6.709 7.940 24.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 4.232 4.454 24.451 1.00 0.00 H new ATOM 0 HH2 TRP A 27 6.268 5.658 23.768 1.00 0.00 H new ATOM 388 N THR A 28 -0.953 9.868 28.552 1.00 0.00 N ATOM 389 CA THR A 28 -2.388 9.885 28.806 1.00 0.00 C ATOM 390 C THR A 28 -3.122 8.930 27.872 1.00 0.00 C ATOM 391 O THR A 28 -2.502 8.236 27.067 1.00 0.00 O ATOM 392 CB THR A 28 -2.971 11.300 28.637 1.00 0.00 C ATOM 393 OG1 THR A 28 -3.055 11.633 27.247 1.00 0.00 O ATOM 394 CG2 THR A 28 -2.114 12.329 29.359 1.00 0.00 C ATOM 0 H THR A 28 -0.618 10.638 27.973 1.00 0.00 H new ATOM 0 HA THR A 28 -2.531 9.562 29.837 1.00 0.00 H new ATOM 0 HB THR A 28 -3.970 11.311 29.074 1.00 0.00 H new ATOM 0 HG1 THR A 28 -3.428 12.534 27.148 1.00 0.00 H new ATOM 0 HG21 THR A 28 -2.546 13.321 29.225 1.00 0.00 H new ATOM 0 HG22 THR A 28 -2.077 12.090 30.422 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.105 12.315 28.948 1.00 0.00 H new ATOM 402 N GLN A 29 -4.446 8.900 27.986 1.00 0.00 N ATOM 403 CA GLN A 29 -5.265 8.029 27.151 1.00 0.00 C ATOM 404 C GLN A 29 -5.123 8.397 25.678 1.00 0.00 C ATOM 405 O GLN A 29 -5.464 7.609 24.797 1.00 0.00 O ATOM 406 CB GLN A 29 -6.733 8.116 27.572 1.00 0.00 C ATOM 407 CG GLN A 29 -7.368 6.762 27.846 1.00 0.00 C ATOM 408 CD GLN A 29 -8.856 6.861 28.121 1.00 0.00 C ATOM 409 OE1 GLN A 29 -9.675 6.771 27.207 1.00 0.00 O ATOM 410 NE2 GLN A 29 -9.213 7.047 29.387 1.00 0.00 N ATOM 0 H GLN A 29 -4.974 9.468 28.648 1.00 0.00 H new ATOM 0 HA GLN A 29 -4.916 7.005 27.286 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -6.810 8.732 28.468 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -7.298 8.621 26.789 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -7.203 6.108 26.990 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -6.874 6.299 28.701 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -8.500 7.116 30.113 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -10.200 7.121 29.633 1.00 0.00 H new ATOM 419 N GLU A 30 -4.619 9.600 25.419 1.00 0.00 N ATOM 420 CA GLU A 30 -4.434 10.072 24.052 1.00 0.00 C ATOM 421 C GLU A 30 -3.008 9.813 23.575 1.00 0.00 C ATOM 422 O GLU A 30 -2.789 9.369 22.448 1.00 0.00 O ATOM 423 CB GLU A 30 -4.753 11.565 23.957 1.00 0.00 C ATOM 424 CG GLU A 30 -4.532 12.148 22.571 1.00 0.00 C ATOM 425 CD GLU A 30 -5.558 13.205 22.213 1.00 0.00 C ATOM 426 OE1 GLU A 30 -5.997 13.938 23.124 1.00 0.00 O ATOM 427 OE2 GLU A 30 -5.923 13.300 21.022 1.00 0.00 O ATOM 0 H GLU A 30 -4.332 10.265 26.137 1.00 0.00 H new ATOM 0 HA GLU A 30 -5.119 9.520 23.408 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.791 11.725 24.248 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.134 12.106 24.673 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.534 12.583 22.519 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.569 11.346 21.833 1.00 0.00 H new ATOM 434 N HIS A 31 -2.040 10.096 24.442 1.00 0.00 N ATOM 435 CA HIS A 31 -0.634 9.895 24.110 1.00 0.00 C ATOM 436 C HIS A 31 -0.392 8.473 23.611 1.00 0.00 C ATOM 437 O HIS A 31 0.201 8.269 22.551 1.00 0.00 O ATOM 438 CB HIS A 31 0.244 10.176 25.329 1.00 0.00 C ATOM 439 CG HIS A 31 0.576 11.626 25.507 1.00 0.00 C ATOM 440 ND1 HIS A 31 0.878 12.184 26.731 1.00 0.00 N ATOM 441 CD2 HIS A 31 0.654 12.633 24.606 1.00 0.00 C ATOM 442 CE1 HIS A 31 1.126 13.473 26.576 1.00 0.00 C ATOM 443 NE2 HIS A 31 0.997 13.770 25.295 1.00 0.00 N ATOM 0 H HIS A 31 -2.204 10.465 25.379 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.371 10.591 23.313 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -0.264 9.816 26.223 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.170 9.608 25.238 1.00 0.00 H new ATOM 0 HD2 HIS A 31 0.479 12.556 23.543 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.389 14.165 27.362 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.131 14.694 24.885 1.00 0.00 H new ATOM 451 N VAL A 32 -0.854 7.494 24.381 1.00 0.00 N ATOM 452 CA VAL A 32 -0.688 6.092 24.017 1.00 0.00 C ATOM 453 C VAL A 32 -1.158 5.835 22.590 1.00 0.00 C ATOM 454 O VAL A 32 -0.633 4.961 21.900 1.00 0.00 O ATOM 455 CB VAL A 32 -1.463 5.168 24.975 1.00 0.00 C ATOM 456 CG1 VAL A 32 -1.392 3.725 24.499 1.00 0.00 C ATOM 457 CG2 VAL A 32 -0.924 5.297 26.392 1.00 0.00 C ATOM 0 H VAL A 32 -1.346 7.646 25.261 1.00 0.00 H new ATOM 0 HA VAL A 32 0.377 5.870 24.091 1.00 0.00 H new ATOM 0 HB VAL A 32 -2.509 5.473 24.979 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.945 3.087 25.188 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -1.829 3.648 23.503 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.351 3.404 24.464 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.483 4.637 27.055 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.130 5.019 26.407 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.032 6.328 26.730 1.00 0.00 H new ATOM 467 N ARG A 33 -2.151 6.603 22.153 1.00 0.00 N ATOM 468 CA ARG A 33 -2.693 6.459 20.807 1.00 0.00 C ATOM 469 C ARG A 33 -1.805 7.161 19.785 1.00 0.00 C ATOM 470 O ARG A 33 -1.531 6.623 18.713 1.00 0.00 O ATOM 471 CB ARG A 33 -4.112 7.028 20.742 1.00 0.00 C ATOM 472 CG ARG A 33 -5.106 6.287 21.621 1.00 0.00 C ATOM 473 CD ARG A 33 -6.530 6.454 21.114 1.00 0.00 C ATOM 474 NE ARG A 33 -6.725 5.821 19.812 1.00 0.00 N ATOM 475 CZ ARG A 33 -7.869 5.864 19.138 1.00 0.00 C ATOM 476 NH1 ARG A 33 -8.914 6.506 19.640 1.00 0.00 N ATOM 477 NH2 ARG A 33 -7.968 5.263 17.959 1.00 0.00 N ATOM 0 H ARG A 33 -2.596 7.331 22.711 1.00 0.00 H new ATOM 0 HA ARG A 33 -2.723 5.396 20.567 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.088 8.076 21.039 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.460 6.997 19.709 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -4.850 5.228 21.648 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -5.037 6.658 22.643 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.224 6.022 21.835 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.766 7.515 21.040 1.00 0.00 H new ATOM 0 HE ARG A 33 -5.940 5.319 19.398 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -8.841 6.969 20.546 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -9.791 6.537 19.120 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -7.166 4.768 17.570 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -8.847 5.296 17.442 1.00 0.00 H new ATOM 491 N GLN A 34 -1.358 8.366 20.125 1.00 0.00 N ATOM 492 CA GLN A 34 -0.502 9.142 19.236 1.00 0.00 C ATOM 493 C GLN A 34 0.808 8.409 18.966 1.00 0.00 C ATOM 494 O GLN A 34 1.190 8.206 17.814 1.00 0.00 O ATOM 495 CB GLN A 34 -0.215 10.517 19.841 1.00 0.00 C ATOM 496 CG GLN A 34 -1.423 11.440 19.852 1.00 0.00 C ATOM 497 CD GLN A 34 -2.200 11.401 18.551 1.00 0.00 C ATOM 498 OE1 GLN A 34 -1.878 12.116 17.601 1.00 0.00 O ATOM 499 NE2 GLN A 34 -3.229 10.564 18.500 1.00 0.00 N ATOM 0 H GLN A 34 -1.575 8.826 21.009 1.00 0.00 H new ATOM 0 HA GLN A 34 -1.027 9.272 18.290 1.00 0.00 H new ATOM 0 HB2 GLN A 34 0.143 10.388 20.863 1.00 0.00 H new ATOM 0 HB3 GLN A 34 0.589 10.991 19.279 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -2.083 11.159 20.673 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -1.093 12.461 20.043 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.460 9.990 19.311 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -3.788 10.495 17.650 1.00 0.00 H new ATOM 508 N TRP A 35 1.492 8.017 20.035 1.00 0.00 N ATOM 509 CA TRP A 35 2.760 7.307 19.913 1.00 0.00 C ATOM 510 C TRP A 35 2.599 6.045 19.073 1.00 0.00 C ATOM 511 O TRP A 35 3.511 5.650 18.346 1.00 0.00 O ATOM 512 CB TRP A 35 3.303 6.949 21.297 1.00 0.00 C ATOM 513 CG TRP A 35 4.425 5.956 21.256 1.00 0.00 C ATOM 514 CD1 TRP A 35 5.734 6.210 20.961 1.00 0.00 C ATOM 515 CD2 TRP A 35 4.336 4.551 21.517 1.00 0.00 C ATOM 516 NE1 TRP A 35 6.464 5.047 21.023 1.00 0.00 N ATOM 517 CE2 TRP A 35 5.629 4.015 21.363 1.00 0.00 C ATOM 518 CE3 TRP A 35 3.289 3.693 21.868 1.00 0.00 C ATOM 519 CZ2 TRP A 35 5.902 2.662 21.547 1.00 0.00 C ATOM 520 CZ3 TRP A 35 3.561 2.351 22.050 1.00 0.00 C ATOM 521 CH2 TRP A 35 4.859 1.846 21.890 1.00 0.00 C ATOM 0 H TRP A 35 1.190 8.179 20.996 1.00 0.00 H new ATOM 0 HA TRP A 35 3.470 7.965 19.412 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.649 7.858 21.790 1.00 0.00 H new ATOM 0 HB3 TRP A 35 2.493 6.546 21.904 1.00 0.00 H new ATOM 0 HD1 TRP A 35 6.136 7.182 20.715 1.00 0.00 H new ATOM 0 HE1 TRP A 35 7.465 4.965 20.845 1.00 0.00 H new ATOM 0 HE3 TRP A 35 2.286 4.073 21.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 6.901 2.271 21.423 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 2.760 1.679 22.320 1.00 0.00 H new ATOM 0 HH2 TRP A 35 5.039 0.792 22.041 1.00 0.00 H new ATOM 532 N LEU A 36 1.434 5.415 19.179 1.00 0.00 N ATOM 533 CA LEU A 36 1.153 4.195 18.428 1.00 0.00 C ATOM 534 C LEU A 36 1.171 4.464 16.927 1.00 0.00 C ATOM 535 O LEU A 36 1.966 3.879 16.192 1.00 0.00 O ATOM 536 CB LEU A 36 -0.204 3.621 18.839 1.00 0.00 C ATOM 537 CG LEU A 36 -0.304 2.096 18.875 1.00 0.00 C ATOM 538 CD1 LEU A 36 0.568 1.530 19.986 1.00 0.00 C ATOM 539 CD2 LEU A 36 -1.751 1.661 19.056 1.00 0.00 C ATOM 0 H LEU A 36 0.669 5.728 19.777 1.00 0.00 H new ATOM 0 HA LEU A 36 1.932 3.468 18.658 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -0.454 4.005 19.828 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.960 3.999 18.150 1.00 0.00 H new ATOM 0 HG LEU A 36 0.056 1.704 17.924 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.484 0.443 19.996 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.607 1.812 19.813 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.239 1.929 20.946 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -1.803 0.573 19.079 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.137 2.063 19.993 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -2.350 2.035 18.226 1.00 0.00 H new ATOM 551 N GLU A 37 0.290 5.354 16.480 1.00 0.00 N ATOM 552 CA GLU A 37 0.207 5.700 15.066 1.00 0.00 C ATOM 553 C GLU A 37 1.553 6.197 14.547 1.00 0.00 C ATOM 554 O GLU A 37 1.839 6.113 13.352 1.00 0.00 O ATOM 555 CB GLU A 37 -0.865 6.769 14.842 1.00 0.00 C ATOM 556 CG GLU A 37 -2.237 6.374 15.361 1.00 0.00 C ATOM 557 CD GLU A 37 -3.334 6.596 14.338 1.00 0.00 C ATOM 558 OE1 GLU A 37 -3.576 7.765 13.972 1.00 0.00 O ATOM 559 OE2 GLU A 37 -3.950 5.600 13.905 1.00 0.00 O ATOM 0 H GLU A 37 -0.375 5.847 17.076 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.066 4.801 14.514 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.553 7.692 15.331 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.937 6.981 13.775 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.223 5.323 15.651 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.461 6.950 16.259 1.00 0.00 H new ATOM 566 N TRP A 38 2.374 6.716 15.452 1.00 0.00 N ATOM 567 CA TRP A 38 3.690 7.228 15.086 1.00 0.00 C ATOM 568 C TRP A 38 4.638 6.088 14.733 1.00 0.00 C ATOM 569 O TRP A 38 5.121 5.997 13.605 1.00 0.00 O ATOM 570 CB TRP A 38 4.274 8.057 16.231 1.00 0.00 C ATOM 571 CG TRP A 38 5.726 8.381 16.050 1.00 0.00 C ATOM 572 CD1 TRP A 38 6.273 9.178 15.085 1.00 0.00 C ATOM 573 CD2 TRP A 38 6.815 7.915 16.854 1.00 0.00 C ATOM 574 NE1 TRP A 38 7.637 9.235 15.240 1.00 0.00 N ATOM 575 CE2 TRP A 38 7.994 8.470 16.319 1.00 0.00 C ATOM 576 CE3 TRP A 38 6.908 7.086 17.975 1.00 0.00 C ATOM 577 CZ2 TRP A 38 9.249 8.219 16.867 1.00 0.00 C ATOM 578 CZ3 TRP A 38 8.155 6.838 18.517 1.00 0.00 C ATOM 579 CH2 TRP A 38 9.312 7.403 17.964 1.00 0.00 C ATOM 0 H TRP A 38 2.152 6.794 16.445 1.00 0.00 H new ATOM 0 HA TRP A 38 3.574 7.864 14.209 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.711 8.986 16.322 1.00 0.00 H new ATOM 0 HB3 TRP A 38 4.144 7.513 17.167 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.715 9.688 14.314 1.00 0.00 H new ATOM 0 HE1 TRP A 38 8.279 9.761 14.648 1.00 0.00 H new ATOM 0 HE3 TRP A 38 6.022 6.647 18.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 10.142 8.653 16.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 8.239 6.197 19.382 1.00 0.00 H new ATOM 0 HH2 TRP A 38 10.272 7.191 18.412 1.00 0.00 H new ATOM 590 N ALA A 39 4.902 5.220 15.705 1.00 0.00 N ATOM 591 CA ALA A 39 5.791 4.084 15.495 1.00 0.00 C ATOM 592 C ALA A 39 5.388 3.294 14.255 1.00 0.00 C ATOM 593 O ALA A 39 6.231 2.683 13.596 1.00 0.00 O ATOM 594 CB ALA A 39 5.794 3.182 16.720 1.00 0.00 C ATOM 0 H ALA A 39 4.513 5.282 16.646 1.00 0.00 H new ATOM 0 HA ALA A 39 6.799 4.468 15.338 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.462 2.338 16.549 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.137 3.747 17.587 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.784 2.814 16.903 1.00 0.00 H new ATOM 600 N ILE A 40 4.097 3.308 13.943 1.00 0.00 N ATOM 601 CA ILE A 40 3.583 2.593 12.781 1.00 0.00 C ATOM 602 C ILE A 40 4.020 3.265 11.484 1.00 0.00 C ATOM 603 O ILE A 40 4.507 2.608 10.564 1.00 0.00 O ATOM 604 CB ILE A 40 2.046 2.504 12.809 1.00 0.00 C ATOM 605 CG1 ILE A 40 1.578 1.774 14.069 1.00 0.00 C ATOM 606 CG2 ILE A 40 1.534 1.800 11.561 1.00 0.00 C ATOM 607 CD1 ILE A 40 0.181 2.157 14.505 1.00 0.00 C ATOM 0 H ILE A 40 3.387 3.807 14.479 1.00 0.00 H new ATOM 0 HA ILE A 40 3.997 1.586 12.822 1.00 0.00 H new ATOM 0 HB ILE A 40 1.638 3.515 12.826 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.612 0.699 13.890 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.274 1.985 14.881 1.00 0.00 H new ATOM 0 HG21 ILE A 40 0.446 1.745 11.595 1.00 0.00 H new ATOM 0 HG22 ILE A 40 1.841 2.358 10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 40 1.947 0.792 11.516 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -0.085 1.601 15.404 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.146 3.226 14.716 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -0.526 1.920 13.710 1.00 0.00 H new ATOM 619 N LYS A 41 3.843 4.581 11.418 1.00 0.00 N ATOM 620 CA LYS A 41 4.221 5.345 10.235 1.00 0.00 C ATOM 621 C LYS A 41 5.735 5.506 10.152 1.00 0.00 C ATOM 622 O LYS A 41 6.281 5.785 9.085 1.00 0.00 O ATOM 623 CB LYS A 41 3.551 6.721 10.257 1.00 0.00 C ATOM 624 CG LYS A 41 4.005 7.600 11.409 1.00 0.00 C ATOM 625 CD LYS A 41 3.530 9.033 11.238 1.00 0.00 C ATOM 626 CE LYS A 41 4.535 9.864 10.454 1.00 0.00 C ATOM 627 NZ LYS A 41 5.794 10.078 11.220 1.00 0.00 N ATOM 0 H LYS A 41 3.440 5.140 12.170 1.00 0.00 H new ATOM 0 HA LYS A 41 3.883 4.797 9.355 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.759 7.232 9.317 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.471 6.589 10.316 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.622 7.198 12.347 1.00 0.00 H new ATOM 0 HG3 LYS A 41 5.093 7.582 11.475 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.570 9.040 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 41 3.369 9.483 12.217 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.763 9.365 9.512 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.093 10.829 10.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 6.286 10.917 10.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.569 10.222 12.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.408 9.245 11.119 1.00 0.00 H new ATOM 641 N GLU A 42 6.408 5.327 11.285 1.00 0.00 N ATOM 642 CA GLU A 42 7.859 5.452 11.339 1.00 0.00 C ATOM 643 C GLU A 42 8.533 4.133 10.974 1.00 0.00 C ATOM 644 O GLU A 42 9.375 4.080 10.077 1.00 0.00 O ATOM 645 CB GLU A 42 8.304 5.896 12.734 1.00 0.00 C ATOM 646 CG GLU A 42 9.812 5.998 12.888 1.00 0.00 C ATOM 647 CD GLU A 42 10.271 7.405 13.218 1.00 0.00 C ATOM 648 OE1 GLU A 42 10.123 8.295 12.354 1.00 0.00 O ATOM 649 OE2 GLU A 42 10.778 7.617 14.340 1.00 0.00 O ATOM 0 H GLU A 42 5.971 5.095 12.177 1.00 0.00 H new ATOM 0 HA GLU A 42 8.160 6.207 10.612 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.858 6.865 12.957 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.919 5.191 13.471 1.00 0.00 H new ATOM 0 HG2 GLU A 42 10.140 5.319 13.675 1.00 0.00 H new ATOM 0 HG3 GLU A 42 10.291 5.671 11.965 1.00 0.00 H new ATOM 656 N TYR A 43 8.157 3.070 11.675 1.00 0.00 N ATOM 657 CA TYR A 43 8.726 1.750 11.428 1.00 0.00 C ATOM 658 C TYR A 43 7.928 1.003 10.364 1.00 0.00 C ATOM 659 O TYR A 43 8.152 -0.183 10.122 1.00 0.00 O ATOM 660 CB TYR A 43 8.758 0.935 12.722 1.00 0.00 C ATOM 661 CG TYR A 43 9.399 1.665 13.882 1.00 0.00 C ATOM 662 CD1 TYR A 43 10.568 2.395 13.708 1.00 0.00 C ATOM 663 CD2 TYR A 43 8.835 1.623 15.151 1.00 0.00 C ATOM 664 CE1 TYR A 43 11.157 3.063 14.764 1.00 0.00 C ATOM 665 CE2 TYR A 43 9.416 2.289 16.213 1.00 0.00 C ATOM 666 CZ TYR A 43 10.577 3.007 16.014 1.00 0.00 C ATOM 667 OH TYR A 43 11.160 3.671 17.070 1.00 0.00 O ATOM 0 H TYR A 43 7.460 3.096 12.419 1.00 0.00 H new ATOM 0 HA TYR A 43 9.745 1.884 11.065 1.00 0.00 H new ATOM 0 HB2 TYR A 43 7.739 0.661 12.994 1.00 0.00 H new ATOM 0 HB3 TYR A 43 9.300 0.007 12.543 1.00 0.00 H new ATOM 0 HD1 TYR A 43 11.024 2.441 12.730 1.00 0.00 H new ATOM 0 HD2 TYR A 43 7.927 1.060 15.310 1.00 0.00 H new ATOM 0 HE1 TYR A 43 12.066 3.626 14.612 1.00 0.00 H new ATOM 0 HE2 TYR A 43 8.964 2.248 17.193 1.00 0.00 H new ATOM 0 HH TYR A 43 10.531 4.331 17.429 1.00 0.00 H new ATOM 677 N SER A 44 6.997 1.708 9.729 1.00 0.00 N ATOM 678 CA SER A 44 6.163 1.112 8.692 1.00 0.00 C ATOM 679 C SER A 44 5.516 -0.178 9.188 1.00 0.00 C ATOM 680 O SER A 44 5.597 -1.218 8.534 1.00 0.00 O ATOM 681 CB SER A 44 6.994 0.830 7.439 1.00 0.00 C ATOM 682 OG SER A 44 7.756 1.966 7.066 1.00 0.00 O ATOM 0 H SER A 44 6.801 2.692 9.914 1.00 0.00 H new ATOM 0 HA SER A 44 5.373 1.821 8.444 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.659 -0.014 7.622 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.335 0.545 6.619 1.00 0.00 H new ATOM 0 HG SER A 44 8.280 1.760 6.264 1.00 0.00 H new ATOM 688 N LEU A 45 4.875 -0.102 10.349 1.00 0.00 N ATOM 689 CA LEU A 45 4.214 -1.263 10.935 1.00 0.00 C ATOM 690 C LEU A 45 2.849 -1.492 10.296 1.00 0.00 C ATOM 691 O LEU A 45 2.195 -0.550 9.849 1.00 0.00 O ATOM 692 CB LEU A 45 4.058 -1.077 12.446 1.00 0.00 C ATOM 693 CG LEU A 45 5.325 -0.687 13.208 1.00 0.00 C ATOM 694 CD1 LEU A 45 5.043 -0.597 14.700 1.00 0.00 C ATOM 695 CD2 LEU A 45 6.441 -1.685 12.934 1.00 0.00 C ATOM 0 H LEU A 45 4.799 0.751 10.903 1.00 0.00 H new ATOM 0 HA LEU A 45 4.835 -2.138 10.745 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.302 -0.311 12.622 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.675 -2.006 12.869 1.00 0.00 H new ATOM 0 HG LEU A 45 5.648 0.294 12.860 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.956 -0.318 15.227 1.00 0.00 H new ATOM 0 HD12 LEU A 45 4.276 0.156 14.881 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.695 -1.564 15.064 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.335 -1.392 13.484 1.00 0.00 H new ATOM 0 HD22 LEU A 45 6.127 -2.679 13.254 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.661 -1.701 11.867 1.00 0.00 H new ATOM 707 N MET A 46 2.423 -2.750 10.258 1.00 0.00 N ATOM 708 CA MET A 46 1.133 -3.103 9.676 1.00 0.00 C ATOM 709 C MET A 46 0.472 -4.231 10.462 1.00 0.00 C ATOM 710 O MET A 46 1.107 -4.869 11.301 1.00 0.00 O ATOM 711 CB MET A 46 1.305 -3.518 8.213 1.00 0.00 C ATOM 712 CG MET A 46 1.972 -2.456 7.355 1.00 0.00 C ATOM 713 SD MET A 46 1.431 -2.512 5.636 1.00 0.00 S ATOM 714 CE MET A 46 2.071 -0.953 5.028 1.00 0.00 C ATOM 0 H MET A 46 2.952 -3.542 10.623 1.00 0.00 H new ATOM 0 HA MET A 46 0.489 -2.225 9.724 1.00 0.00 H new ATOM 0 HB2 MET A 46 1.897 -4.432 8.170 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.327 -3.752 7.793 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.755 -1.471 7.768 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.053 -2.587 7.396 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.816 -0.841 3.974 1.00 0.00 H new ATOM 0 HE2 MET A 46 1.632 -0.133 5.596 1.00 0.00 H new ATOM 0 HE3 MET A 46 3.155 -0.935 5.143 1.00 0.00 H new ATOM 724 N GLU A 47 -0.806 -4.469 10.186 1.00 0.00 N ATOM 725 CA GLU A 47 -1.552 -5.519 10.869 1.00 0.00 C ATOM 726 C GLU A 47 -1.659 -5.226 12.363 1.00 0.00 C ATOM 727 O GLU A 47 -1.809 -6.139 13.175 1.00 0.00 O ATOM 728 CB GLU A 47 -0.881 -6.877 10.651 1.00 0.00 C ATOM 729 CG GLU A 47 -0.509 -7.146 9.202 1.00 0.00 C ATOM 730 CD GLU A 47 -1.089 -8.448 8.684 1.00 0.00 C ATOM 731 OE1 GLU A 47 -2.327 -8.604 8.723 1.00 0.00 O ATOM 732 OE2 GLU A 47 -0.303 -9.310 8.238 1.00 0.00 O ATOM 0 H GLU A 47 -1.346 -3.949 9.494 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.557 -5.547 10.449 1.00 0.00 H new ATOM 0 HB2 GLU A 47 0.018 -6.931 11.264 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -1.551 -7.664 10.998 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -0.862 -6.323 8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 47 0.577 -7.173 9.108 1.00 0.00 H new ATOM 739 N ILE A 48 -1.580 -3.948 12.716 1.00 0.00 N ATOM 740 CA ILE A 48 -1.669 -3.535 14.111 1.00 0.00 C ATOM 741 C ILE A 48 -3.058 -2.998 14.439 1.00 0.00 C ATOM 742 O ILE A 48 -3.636 -2.232 13.668 1.00 0.00 O ATOM 743 CB ILE A 48 -0.621 -2.457 14.447 1.00 0.00 C ATOM 744 CG1 ILE A 48 -0.565 -2.222 15.957 1.00 0.00 C ATOM 745 CG2 ILE A 48 -0.942 -1.162 13.715 1.00 0.00 C ATOM 746 CD1 ILE A 48 0.815 -1.864 16.462 1.00 0.00 C ATOM 0 H ILE A 48 -1.455 -3.181 12.056 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.474 -4.421 14.715 1.00 0.00 H new ATOM 0 HB ILE A 48 0.357 -2.806 14.117 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -1.257 -1.422 16.218 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -0.909 -3.121 16.469 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -0.193 -0.409 13.962 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.936 -1.341 12.640 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -1.927 -0.807 14.018 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.779 -1.712 17.541 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.508 -2.674 16.233 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.154 -0.948 15.977 1.00 0.00 H new ATOM 758 N ASP A 49 -3.587 -3.403 15.588 1.00 0.00 N ATOM 759 CA ASP A 49 -4.908 -2.960 16.019 1.00 0.00 C ATOM 760 C ASP A 49 -4.798 -1.776 16.975 1.00 0.00 C ATOM 761 O ASP A 49 -4.754 -1.949 18.193 1.00 0.00 O ATOM 762 CB ASP A 49 -5.659 -4.109 16.695 1.00 0.00 C ATOM 763 CG ASP A 49 -7.135 -3.812 16.870 1.00 0.00 C ATOM 764 OD1 ASP A 49 -7.778 -3.394 15.883 1.00 0.00 O ATOM 765 OD2 ASP A 49 -7.648 -3.997 17.993 1.00 0.00 O ATOM 0 H ASP A 49 -3.122 -4.037 16.238 1.00 0.00 H new ATOM 0 HA ASP A 49 -5.464 -2.642 15.137 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -5.542 -5.015 16.101 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.213 -4.307 17.670 1.00 0.00 H new ATOM 770 N THR A 50 -4.755 -0.572 16.414 1.00 0.00 N ATOM 771 CA THR A 50 -4.648 0.641 17.215 1.00 0.00 C ATOM 772 C THR A 50 -5.859 0.806 18.127 1.00 0.00 C ATOM 773 O THR A 50 -5.785 1.474 19.158 1.00 0.00 O ATOM 774 CB THR A 50 -4.515 1.892 16.326 1.00 0.00 C ATOM 775 OG1 THR A 50 -5.732 2.111 15.603 1.00 0.00 O ATOM 776 CG2 THR A 50 -3.359 1.741 15.348 1.00 0.00 C ATOM 0 H THR A 50 -4.793 -0.411 15.408 1.00 0.00 H new ATOM 0 HA THR A 50 -3.749 0.540 17.823 1.00 0.00 H new ATOM 0 HB THR A 50 -4.316 2.749 16.970 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.640 2.909 15.042 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.285 2.637 14.731 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.430 1.604 15.901 1.00 0.00 H new ATOM 0 HG23 THR A 50 -3.533 0.874 14.710 1.00 0.00 H new ATOM 784 N SER A 51 -6.973 0.192 17.741 1.00 0.00 N ATOM 785 CA SER A 51 -8.201 0.274 18.523 1.00 0.00 C ATOM 786 C SER A 51 -8.004 -0.333 19.908 1.00 0.00 C ATOM 787 O SER A 51 -8.557 0.152 20.895 1.00 0.00 O ATOM 788 CB SER A 51 -9.341 -0.443 17.797 1.00 0.00 C ATOM 789 OG SER A 51 -9.371 -1.820 18.129 1.00 0.00 O ATOM 0 H SER A 51 -7.050 -0.368 16.892 1.00 0.00 H new ATOM 0 HA SER A 51 -8.459 1.327 18.640 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.292 0.019 18.062 1.00 0.00 H new ATOM 0 HB3 SER A 51 -9.220 -0.328 16.720 1.00 0.00 H new ATOM 0 HG SER A 51 -10.109 -2.255 17.653 1.00 0.00 H new ATOM 795 N PHE A 52 -7.210 -1.397 19.974 1.00 0.00 N ATOM 796 CA PHE A 52 -6.940 -2.072 21.238 1.00 0.00 C ATOM 797 C PHE A 52 -6.407 -1.089 22.276 1.00 0.00 C ATOM 798 O PHE A 52 -6.575 -1.288 23.480 1.00 0.00 O ATOM 799 CB PHE A 52 -5.934 -3.207 21.030 1.00 0.00 C ATOM 800 CG PHE A 52 -6.088 -4.332 22.012 1.00 0.00 C ATOM 801 CD1 PHE A 52 -5.409 -4.313 23.220 1.00 0.00 C ATOM 802 CD2 PHE A 52 -6.912 -5.410 21.728 1.00 0.00 C ATOM 803 CE1 PHE A 52 -5.549 -5.347 24.126 1.00 0.00 C ATOM 804 CE2 PHE A 52 -7.056 -6.446 22.631 1.00 0.00 C ATOM 805 CZ PHE A 52 -6.373 -6.415 23.831 1.00 0.00 C ATOM 0 H PHE A 52 -6.743 -1.810 19.167 1.00 0.00 H new ATOM 0 HA PHE A 52 -7.877 -2.489 21.606 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.045 -3.600 20.019 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.924 -2.805 21.106 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.763 -3.480 23.456 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -7.447 -5.440 20.791 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.014 -5.320 25.064 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -7.702 -7.279 22.399 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.483 -7.225 24.537 1.00 0.00 H new ATOM 815 N PHE A 53 -5.763 -0.028 21.802 1.00 0.00 N ATOM 816 CA PHE A 53 -5.204 0.986 22.688 1.00 0.00 C ATOM 817 C PHE A 53 -5.974 2.298 22.568 1.00 0.00 C ATOM 818 O PHE A 53 -5.436 3.371 22.839 1.00 0.00 O ATOM 819 CB PHE A 53 -3.726 1.217 22.365 1.00 0.00 C ATOM 820 CG PHE A 53 -2.943 -0.054 22.199 1.00 0.00 C ATOM 821 CD1 PHE A 53 -2.909 -0.707 20.977 1.00 0.00 C ATOM 822 CD2 PHE A 53 -2.242 -0.596 23.264 1.00 0.00 C ATOM 823 CE1 PHE A 53 -2.190 -1.877 20.821 1.00 0.00 C ATOM 824 CE2 PHE A 53 -1.520 -1.765 23.114 1.00 0.00 C ATOM 825 CZ PHE A 53 -1.494 -2.406 21.891 1.00 0.00 C ATOM 0 H PHE A 53 -5.615 0.152 20.809 1.00 0.00 H new ATOM 0 HA PHE A 53 -5.293 0.626 23.713 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -3.650 1.804 21.449 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -3.277 1.810 23.162 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -3.450 -0.297 20.137 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -2.260 -0.099 24.223 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.172 -2.377 19.864 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.977 -2.177 23.952 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.930 -3.319 21.771 1.00 0.00 H new ATOM 835 N GLN A 54 -7.235 2.202 22.160 1.00 0.00 N ATOM 836 CA GLN A 54 -8.078 3.381 22.002 1.00 0.00 C ATOM 837 C GLN A 54 -8.347 4.042 23.350 1.00 0.00 C ATOM 838 O GLN A 54 -8.669 5.227 23.418 1.00 0.00 O ATOM 839 CB GLN A 54 -9.401 3.002 21.334 1.00 0.00 C ATOM 840 CG GLN A 54 -10.283 2.110 22.192 1.00 0.00 C ATOM 841 CD GLN A 54 -11.622 2.744 22.509 1.00 0.00 C ATOM 842 OE1 GLN A 54 -11.897 3.102 23.655 1.00 0.00 O ATOM 843 NE2 GLN A 54 -12.465 2.887 21.493 1.00 0.00 N ATOM 0 H GLN A 54 -7.695 1.321 21.933 1.00 0.00 H new ATOM 0 HA GLN A 54 -7.549 4.092 21.368 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -9.948 3.912 21.089 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -9.191 2.494 20.393 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -10.447 1.164 21.677 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -9.765 1.881 23.123 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -12.196 2.576 20.559 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -13.382 3.308 21.646 1.00 0.00 H new ATOM 852 N ASN A 55 -8.214 3.266 24.421 1.00 0.00 N ATOM 853 CA ASN A 55 -8.443 3.777 25.768 1.00 0.00 C ATOM 854 C ASN A 55 -7.459 3.161 26.758 1.00 0.00 C ATOM 855 O ASN A 55 -7.795 2.929 27.919 1.00 0.00 O ATOM 856 CB ASN A 55 -9.879 3.483 26.209 1.00 0.00 C ATOM 857 CG ASN A 55 -10.113 2.008 26.469 1.00 0.00 C ATOM 858 OD1 ASN A 55 -10.006 1.182 25.562 1.00 0.00 O ATOM 859 ND2 ASN A 55 -10.436 1.670 27.712 1.00 0.00 N ATOM 0 H ASN A 55 -7.949 2.282 24.382 1.00 0.00 H new ATOM 0 HA ASN A 55 -8.288 4.856 25.753 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.101 4.048 27.114 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -10.570 3.828 25.440 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -10.607 0.692 27.947 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -10.513 2.388 28.432 1.00 0.00 H new ATOM 866 N MET A 56 -6.243 2.901 26.290 1.00 0.00 N ATOM 867 CA MET A 56 -5.209 2.314 27.135 1.00 0.00 C ATOM 868 C MET A 56 -4.253 3.386 27.649 1.00 0.00 C ATOM 869 O MET A 56 -3.361 3.833 26.928 1.00 0.00 O ATOM 870 CB MET A 56 -4.430 1.249 26.360 1.00 0.00 C ATOM 871 CG MET A 56 -3.291 0.632 27.155 1.00 0.00 C ATOM 872 SD MET A 56 -3.568 -1.111 27.526 1.00 0.00 S ATOM 873 CE MET A 56 -3.643 -1.801 25.875 1.00 0.00 C ATOM 0 H MET A 56 -5.949 3.087 25.331 1.00 0.00 H new ATOM 0 HA MET A 56 -5.697 1.847 27.990 1.00 0.00 H new ATOM 0 HB2 MET A 56 -5.117 0.460 26.052 1.00 0.00 H new ATOM 0 HB3 MET A 56 -4.028 1.695 25.450 1.00 0.00 H new ATOM 0 HG2 MET A 56 -2.363 0.737 26.594 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.164 1.182 28.087 1.00 0.00 H new ATOM 0 HE1 MET A 56 -4.270 -2.693 25.882 1.00 0.00 H new ATOM 0 HE2 MET A 56 -4.067 -1.065 25.192 1.00 0.00 H new ATOM 0 HE3 MET A 56 -2.638 -2.066 25.545 1.00 0.00 H new ATOM 883 N ASP A 57 -4.447 3.795 28.898 1.00 0.00 N ATOM 884 CA ASP A 57 -3.601 4.815 29.508 1.00 0.00 C ATOM 885 C ASP A 57 -2.142 4.371 29.526 1.00 0.00 C ATOM 886 O ASP A 57 -1.845 3.179 29.593 1.00 0.00 O ATOM 887 CB ASP A 57 -4.073 5.114 30.932 1.00 0.00 C ATOM 888 CG ASP A 57 -4.418 3.856 31.704 1.00 0.00 C ATOM 889 OD1 ASP A 57 -3.502 3.263 32.312 1.00 0.00 O ATOM 890 OD2 ASP A 57 -5.604 3.466 31.702 1.00 0.00 O ATOM 0 H ASP A 57 -5.182 3.436 29.508 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.679 5.722 28.909 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.293 5.660 31.463 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.947 5.764 30.893 1.00 0.00 H new ATOM 895 N GLY A 58 -1.233 5.340 29.463 1.00 0.00 N ATOM 896 CA GLY A 58 0.185 5.029 29.472 1.00 0.00 C ATOM 897 C GLY A 58 0.538 3.964 30.491 1.00 0.00 C ATOM 898 O GLY A 58 1.349 3.078 30.219 1.00 0.00 O ATOM 0 H GLY A 58 -1.453 6.334 29.406 1.00 0.00 H new ATOM 0 HA2 GLY A 58 0.486 4.693 28.480 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.751 5.935 29.687 1.00 0.00 H new ATOM 902 N LYS A 59 -0.069 4.051 31.670 1.00 0.00 N ATOM 903 CA LYS A 59 0.185 3.087 32.735 1.00 0.00 C ATOM 904 C LYS A 59 -0.148 1.671 32.278 1.00 0.00 C ATOM 905 O LYS A 59 0.641 0.746 32.468 1.00 0.00 O ATOM 906 CB LYS A 59 -0.635 3.441 33.977 1.00 0.00 C ATOM 907 CG LYS A 59 -0.323 4.816 34.541 1.00 0.00 C ATOM 908 CD LYS A 59 0.677 4.737 35.682 1.00 0.00 C ATOM 909 CE LYS A 59 2.022 4.208 35.209 1.00 0.00 C ATOM 910 NZ LYS A 59 2.118 2.729 35.355 1.00 0.00 N ATOM 0 H LYS A 59 -0.741 4.779 31.912 1.00 0.00 H new ATOM 0 HA LYS A 59 1.245 3.129 32.984 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.695 3.392 33.728 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -0.453 2.692 34.748 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.075 5.453 33.751 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.243 5.283 34.894 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.808 5.726 36.121 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.285 4.089 36.466 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.173 4.480 34.164 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.820 4.682 35.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.908 2.493 35.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 1.232 2.361 35.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.281 2.298 34.423 1.00 0.00 H new ATOM 924 N GLU A 60 -1.322 1.509 31.675 1.00 0.00 N ATOM 925 CA GLU A 60 -1.758 0.204 31.192 1.00 0.00 C ATOM 926 C GLU A 60 -0.979 -0.202 29.945 1.00 0.00 C ATOM 927 O GLU A 60 -1.051 -1.348 29.499 1.00 0.00 O ATOM 928 CB GLU A 60 -3.257 0.224 30.886 1.00 0.00 C ATOM 929 CG GLU A 60 -4.131 0.270 32.127 1.00 0.00 C ATOM 930 CD GLU A 60 -5.579 0.591 31.810 1.00 0.00 C ATOM 931 OE1 GLU A 60 -5.846 1.081 30.693 1.00 0.00 O ATOM 932 OE2 GLU A 60 -6.444 0.352 32.678 1.00 0.00 O ATOM 0 H GLU A 60 -1.987 2.264 31.510 1.00 0.00 H new ATOM 0 HA GLU A 60 -1.564 -0.529 31.975 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -3.480 1.090 30.262 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -3.512 -0.662 30.305 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -4.080 -0.691 32.639 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.739 1.019 32.815 1.00 0.00 H new ATOM 939 N LEU A 61 -0.234 0.745 29.385 1.00 0.00 N ATOM 940 CA LEU A 61 0.560 0.487 28.189 1.00 0.00 C ATOM 941 C LEU A 61 1.944 -0.039 28.556 1.00 0.00 C ATOM 942 O LEU A 61 2.544 -0.812 27.807 1.00 0.00 O ATOM 943 CB LEU A 61 0.692 1.763 27.355 1.00 0.00 C ATOM 944 CG LEU A 61 1.535 1.651 26.085 1.00 0.00 C ATOM 945 CD1 LEU A 61 0.890 0.690 25.099 1.00 0.00 C ATOM 946 CD2 LEU A 61 1.727 3.020 25.449 1.00 0.00 C ATOM 0 H LEU A 61 -0.163 1.699 29.740 1.00 0.00 H new ATOM 0 HA LEU A 61 0.047 -0.274 27.600 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.308 2.095 27.075 1.00 0.00 H new ATOM 0 HB3 LEU A 61 1.122 2.542 27.985 1.00 0.00 H new ATOM 0 HG LEU A 61 2.515 1.258 26.357 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.504 0.623 24.201 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.805 -0.296 25.555 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.103 1.053 24.833 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.330 2.920 24.546 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.755 3.441 25.192 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.234 3.680 26.153 1.00 0.00 H new ATOM 958 N CYS A 62 2.443 0.381 29.712 1.00 0.00 N ATOM 959 CA CYS A 62 3.756 -0.049 30.180 1.00 0.00 C ATOM 960 C CYS A 62 3.664 -1.391 30.899 1.00 0.00 C ATOM 961 O CYS A 62 4.669 -2.076 31.090 1.00 0.00 O ATOM 962 CB CYS A 62 4.358 1.003 31.113 1.00 0.00 C ATOM 963 SG CYS A 62 4.407 2.669 30.412 1.00 0.00 S ATOM 0 H CYS A 62 1.959 1.019 30.343 1.00 0.00 H new ATOM 0 HA CYS A 62 4.404 -0.166 29.311 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.781 1.026 32.037 1.00 0.00 H new ATOM 0 HB3 CYS A 62 5.372 0.702 31.377 1.00 0.00 H new ATOM 0 HG CYS A 62 3.194 3.096 30.222 1.00 0.00 H new ATOM 969 N LYS A 63 2.452 -1.760 31.298 1.00 0.00 N ATOM 970 CA LYS A 63 2.227 -3.020 31.997 1.00 0.00 C ATOM 971 C LYS A 63 1.998 -4.158 31.008 1.00 0.00 C ATOM 972 O LYS A 63 2.254 -5.322 31.316 1.00 0.00 O ATOM 973 CB LYS A 63 1.025 -2.898 32.937 1.00 0.00 C ATOM 974 CG LYS A 63 -0.313 -2.907 32.219 1.00 0.00 C ATOM 975 CD LYS A 63 -1.472 -2.842 33.198 1.00 0.00 C ATOM 976 CE LYS A 63 -1.922 -4.231 33.624 1.00 0.00 C ATOM 977 NZ LYS A 63 -3.225 -4.197 34.343 1.00 0.00 N ATOM 0 H LYS A 63 1.610 -1.204 31.149 1.00 0.00 H new ATOM 0 HA LYS A 63 3.118 -3.245 32.583 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.049 -3.720 33.652 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.114 -1.975 33.509 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.365 -2.060 31.535 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -0.396 -3.810 31.615 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.175 -2.269 34.077 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.307 -2.313 32.740 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.009 -4.870 32.745 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.164 -4.677 34.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.496 -5.163 34.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.136 -3.608 35.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.955 -3.796 33.720 1.00 0.00 H new ATOM 991 N MET A 64 1.515 -3.814 29.818 1.00 0.00 N ATOM 992 CA MET A 64 1.255 -4.807 28.783 1.00 0.00 C ATOM 993 C MET A 64 2.509 -5.623 28.484 1.00 0.00 C ATOM 994 O MET A 64 3.623 -5.105 28.534 1.00 0.00 O ATOM 995 CB MET A 64 0.759 -4.126 27.506 1.00 0.00 C ATOM 996 CG MET A 64 -0.644 -3.553 27.628 1.00 0.00 C ATOM 997 SD MET A 64 -1.881 -4.558 26.787 1.00 0.00 S ATOM 998 CE MET A 64 -1.284 -4.490 25.100 1.00 0.00 C ATOM 0 H MET A 64 1.296 -2.855 29.547 1.00 0.00 H new ATOM 0 HA MET A 64 0.482 -5.483 29.149 1.00 0.00 H new ATOM 0 HB2 MET A 64 1.448 -3.324 27.240 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.778 -4.847 26.689 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.907 -3.468 28.682 1.00 0.00 H new ATOM 0 HG3 MET A 64 -0.658 -2.545 27.213 1.00 0.00 H new ATOM 0 HE1 MET A 64 -2.128 -4.371 24.420 1.00 0.00 H new ATOM 0 HE2 MET A 64 -0.606 -3.644 24.988 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.755 -5.413 24.864 1.00 0.00 H new ATOM 1008 N ASN A 65 2.318 -6.901 28.174 1.00 0.00 N ATOM 1009 CA ASN A 65 3.435 -7.788 27.868 1.00 0.00 C ATOM 1010 C ASN A 65 3.373 -8.260 26.418 1.00 0.00 C ATOM 1011 O ASN A 65 2.460 -7.900 25.674 1.00 0.00 O ATOM 1012 CB ASN A 65 3.428 -8.994 28.809 1.00 0.00 C ATOM 1013 CG ASN A 65 2.884 -8.652 30.183 1.00 0.00 C ATOM 1014 OD1 ASN A 65 3.353 -7.718 30.834 1.00 0.00 O ATOM 1015 ND2 ASN A 65 1.889 -9.409 30.630 1.00 0.00 N ATOM 0 H ASN A 65 1.401 -7.346 28.128 1.00 0.00 H new ATOM 0 HA ASN A 65 4.360 -7.229 28.011 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.826 -9.790 28.371 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.443 -9.380 28.909 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.482 -9.227 31.547 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.532 -10.173 30.056 1.00 0.00 H new ATOM 1022 N LYS A 66 4.350 -9.069 26.023 1.00 0.00 N ATOM 1023 CA LYS A 66 4.407 -9.594 24.664 1.00 0.00 C ATOM 1024 C LYS A 66 3.083 -10.242 24.275 1.00 0.00 C ATOM 1025 O LYS A 66 2.605 -10.073 23.154 1.00 0.00 O ATOM 1026 CB LYS A 66 5.543 -10.611 24.535 1.00 0.00 C ATOM 1027 CG LYS A 66 5.842 -11.011 23.101 1.00 0.00 C ATOM 1028 CD LYS A 66 7.232 -10.565 22.676 1.00 0.00 C ATOM 1029 CE LYS A 66 7.605 -11.127 21.313 1.00 0.00 C ATOM 1030 NZ LYS A 66 8.993 -11.666 21.297 1.00 0.00 N ATOM 0 H LYS A 66 5.114 -9.376 26.625 1.00 0.00 H new ATOM 0 HA LYS A 66 4.596 -8.761 23.987 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.445 -10.194 24.982 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.287 -11.503 25.106 1.00 0.00 H new ATOM 0 HG2 LYS A 66 5.759 -12.093 22.999 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.098 -10.570 22.437 1.00 0.00 H new ATOM 0 HD2 LYS A 66 7.272 -9.476 22.645 1.00 0.00 H new ATOM 0 HD3 LYS A 66 7.962 -10.890 23.417 1.00 0.00 H new ATOM 0 HE2 LYS A 66 6.905 -11.918 21.042 1.00 0.00 H new ATOM 0 HE3 LYS A 66 7.510 -10.345 20.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 9.209 -12.040 20.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 9.663 -10.906 21.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.077 -12.429 21.998 1.00 0.00 H new ATOM 1044 N GLU A 67 2.495 -10.983 25.209 1.00 0.00 N ATOM 1045 CA GLU A 67 1.225 -11.656 24.962 1.00 0.00 C ATOM 1046 C GLU A 67 0.104 -10.643 24.753 1.00 0.00 C ATOM 1047 O GLU A 67 -0.534 -10.615 23.700 1.00 0.00 O ATOM 1048 CB GLU A 67 0.878 -12.583 26.129 1.00 0.00 C ATOM 1049 CG GLU A 67 1.254 -14.035 25.885 1.00 0.00 C ATOM 1050 CD GLU A 67 0.624 -14.978 26.892 1.00 0.00 C ATOM 1051 OE1 GLU A 67 -0.491 -14.677 27.369 1.00 0.00 O ATOM 1052 OE2 GLU A 67 1.244 -16.016 27.202 1.00 0.00 O ATOM 0 H GLU A 67 2.877 -11.132 26.143 1.00 0.00 H new ATOM 0 HA GLU A 67 1.329 -12.250 24.054 1.00 0.00 H new ATOM 0 HB2 GLU A 67 1.387 -12.230 27.026 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -0.192 -12.522 26.325 1.00 0.00 H new ATOM 0 HG2 GLU A 67 0.944 -14.323 24.880 1.00 0.00 H new ATOM 0 HG3 GLU A 67 2.338 -14.137 25.926 1.00 0.00 H new ATOM 1059 N ASP A 68 -0.130 -9.812 25.762 1.00 0.00 N ATOM 1060 CA ASP A 68 -1.174 -8.796 25.690 1.00 0.00 C ATOM 1061 C ASP A 68 -1.015 -7.942 24.436 1.00 0.00 C ATOM 1062 O ASP A 68 -1.999 -7.471 23.864 1.00 0.00 O ATOM 1063 CB ASP A 68 -1.137 -7.907 26.934 1.00 0.00 C ATOM 1064 CG ASP A 68 -0.981 -8.707 28.213 1.00 0.00 C ATOM 1065 OD1 ASP A 68 -1.431 -9.872 28.243 1.00 0.00 O ATOM 1066 OD2 ASP A 68 -0.407 -8.169 29.183 1.00 0.00 O ATOM 0 H ASP A 68 0.389 -9.822 26.640 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.138 -9.303 25.644 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.311 -7.201 26.848 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -2.054 -7.320 26.985 1.00 0.00 H new ATOM 1071 N PHE A 69 0.229 -7.746 24.013 1.00 0.00 N ATOM 1072 CA PHE A 69 0.517 -6.947 22.827 1.00 0.00 C ATOM 1073 C PHE A 69 0.289 -7.760 21.556 1.00 0.00 C ATOM 1074 O PHE A 69 -0.078 -7.215 20.514 1.00 0.00 O ATOM 1075 CB PHE A 69 1.958 -6.436 22.868 1.00 0.00 C ATOM 1076 CG PHE A 69 2.078 -5.016 23.345 1.00 0.00 C ATOM 1077 CD1 PHE A 69 1.613 -3.969 22.566 1.00 0.00 C ATOM 1078 CD2 PHE A 69 2.655 -4.730 24.572 1.00 0.00 C ATOM 1079 CE1 PHE A 69 1.721 -2.662 23.002 1.00 0.00 C ATOM 1080 CE2 PHE A 69 2.765 -3.425 25.013 1.00 0.00 C ATOM 1081 CZ PHE A 69 2.299 -2.389 24.227 1.00 0.00 C ATOM 0 H PHE A 69 1.054 -8.129 24.474 1.00 0.00 H new ATOM 0 HA PHE A 69 -0.163 -6.095 22.819 1.00 0.00 H new ATOM 0 HB2 PHE A 69 2.545 -7.081 23.522 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.391 -6.514 21.871 1.00 0.00 H new ATOM 0 HD1 PHE A 69 1.161 -4.176 21.607 1.00 0.00 H new ATOM 0 HD2 PHE A 69 3.023 -5.536 25.190 1.00 0.00 H new ATOM 0 HE1 PHE A 69 1.354 -1.855 22.386 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.215 -3.215 25.972 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.386 -1.368 24.569 1.00 0.00 H new ATOM 1091 N LEU A 70 0.511 -9.066 21.649 1.00 0.00 N ATOM 1092 CA LEU A 70 0.331 -9.956 20.506 1.00 0.00 C ATOM 1093 C LEU A 70 -1.146 -10.096 20.153 1.00 0.00 C ATOM 1094 O LEU A 70 -1.493 -10.489 19.039 1.00 0.00 O ATOM 1095 CB LEU A 70 0.928 -11.332 20.808 1.00 0.00 C ATOM 1096 CG LEU A 70 2.365 -11.557 20.337 1.00 0.00 C ATOM 1097 CD1 LEU A 70 2.882 -12.902 20.825 1.00 0.00 C ATOM 1098 CD2 LEU A 70 2.449 -11.470 18.820 1.00 0.00 C ATOM 0 H LEU A 70 0.816 -9.533 22.503 1.00 0.00 H new ATOM 0 HA LEU A 70 0.850 -9.521 19.652 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.890 -11.494 21.885 1.00 0.00 H new ATOM 0 HB3 LEU A 70 0.293 -12.090 20.349 1.00 0.00 H new ATOM 0 HG LEU A 70 2.993 -10.774 20.761 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.906 -13.045 20.480 1.00 0.00 H new ATOM 0 HD12 LEU A 70 2.859 -12.927 21.914 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.252 -13.699 20.430 1.00 0.00 H new ATOM 0 HD21 LEU A 70 3.479 -11.633 18.503 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.808 -12.231 18.376 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.120 -10.483 18.493 1.00 0.00 H new ATOM 1110 N ARG A 71 -2.011 -9.771 21.108 1.00 0.00 N ATOM 1111 CA ARG A 71 -3.451 -9.860 20.897 1.00 0.00 C ATOM 1112 C ARG A 71 -3.978 -8.604 20.210 1.00 0.00 C ATOM 1113 O ARG A 71 -5.181 -8.461 19.994 1.00 0.00 O ATOM 1114 CB ARG A 71 -4.172 -10.065 22.230 1.00 0.00 C ATOM 1115 CG ARG A 71 -3.727 -11.312 22.977 1.00 0.00 C ATOM 1116 CD ARG A 71 -4.763 -11.747 24.002 1.00 0.00 C ATOM 1117 NE ARG A 71 -4.648 -13.165 24.329 1.00 0.00 N ATOM 1118 CZ ARG A 71 -5.403 -13.774 25.237 1.00 0.00 C ATOM 1119 NH1 ARG A 71 -6.324 -13.092 25.903 1.00 0.00 N ATOM 1120 NH2 ARG A 71 -5.238 -15.069 25.479 1.00 0.00 N ATOM 0 H ARG A 71 -1.740 -9.444 22.035 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.646 -10.716 20.251 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.004 -9.193 22.862 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.245 -10.124 22.048 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.554 -12.121 22.267 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -2.778 -11.119 23.477 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -4.645 -11.155 24.910 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -5.762 -11.544 23.616 1.00 0.00 H new ATOM 0 HE ARG A 71 -3.950 -13.719 23.833 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.454 -12.097 25.719 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.902 -13.562 26.600 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -4.531 -15.597 24.968 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.818 -15.535 26.176 1.00 0.00 H new ATOM 1134 N ALA A 72 -3.070 -7.696 19.869 1.00 0.00 N ATOM 1135 CA ALA A 72 -3.443 -6.453 19.206 1.00 0.00 C ATOM 1136 C ALA A 72 -2.550 -6.186 17.998 1.00 0.00 C ATOM 1137 O ALA A 72 -3.016 -5.713 16.961 1.00 0.00 O ATOM 1138 CB ALA A 72 -3.371 -5.290 20.184 1.00 0.00 C ATOM 0 H ALA A 72 -2.070 -7.798 20.041 1.00 0.00 H new ATOM 0 HA ALA A 72 -4.469 -6.553 18.852 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -3.652 -4.368 19.675 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -4.055 -5.469 21.014 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -2.354 -5.198 20.566 1.00 0.00 H new ATOM 1144 N THR A 73 -1.264 -6.491 18.140 1.00 0.00 N ATOM 1145 CA THR A 73 -0.306 -6.282 17.061 1.00 0.00 C ATOM 1146 C THR A 73 0.453 -7.565 16.744 1.00 0.00 C ATOM 1147 O THR A 73 0.568 -8.456 17.587 1.00 0.00 O ATOM 1148 CB THR A 73 0.705 -5.175 17.415 1.00 0.00 C ATOM 1149 OG1 THR A 73 1.383 -4.735 16.233 1.00 0.00 O ATOM 1150 CG2 THR A 73 1.720 -5.674 18.432 1.00 0.00 C ATOM 0 H THR A 73 -0.862 -6.883 18.991 1.00 0.00 H new ATOM 0 HA THR A 73 -0.878 -5.976 16.185 1.00 0.00 H new ATOM 0 HB THR A 73 0.158 -4.340 17.852 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.746 -4.687 15.489 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.423 -4.875 18.666 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.203 -5.981 19.341 1.00 0.00 H new ATOM 0 HG23 THR A 73 2.262 -6.524 18.018 1.00 0.00 H new ATOM 1158 N THR A 74 0.970 -7.655 15.523 1.00 0.00 N ATOM 1159 CA THR A 74 1.718 -8.830 15.094 1.00 0.00 C ATOM 1160 C THR A 74 2.977 -9.016 15.932 1.00 0.00 C ATOM 1161 O THR A 74 3.414 -8.098 16.628 1.00 0.00 O ATOM 1162 CB THR A 74 2.114 -8.733 13.608 1.00 0.00 C ATOM 1163 OG1 THR A 74 2.814 -9.916 13.209 1.00 0.00 O ATOM 1164 CG2 THR A 74 2.987 -7.512 13.360 1.00 0.00 C ATOM 0 H THR A 74 0.884 -6.928 14.813 1.00 0.00 H new ATOM 0 HA THR A 74 1.062 -9.690 15.232 1.00 0.00 H new ATOM 0 HB THR A 74 1.203 -8.635 13.017 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.060 -9.847 12.263 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.254 -7.464 12.304 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.440 -6.611 13.637 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.894 -7.585 13.961 1.00 0.00 H new ATOM 1172 N LEU A 75 3.558 -10.209 15.861 1.00 0.00 N ATOM 1173 CA LEU A 75 4.770 -10.516 16.614 1.00 0.00 C ATOM 1174 C LEU A 75 5.878 -9.518 16.293 1.00 0.00 C ATOM 1175 O LEU A 75 6.471 -8.922 17.192 1.00 0.00 O ATOM 1176 CB LEU A 75 5.241 -11.937 16.302 1.00 0.00 C ATOM 1177 CG LEU A 75 6.677 -12.272 16.706 1.00 0.00 C ATOM 1178 CD1 LEU A 75 6.835 -12.209 18.217 1.00 0.00 C ATOM 1179 CD2 LEU A 75 7.072 -13.646 16.184 1.00 0.00 C ATOM 0 H LEU A 75 3.210 -10.979 15.290 1.00 0.00 H new ATOM 0 HA LEU A 75 4.537 -10.442 17.676 1.00 0.00 H new ATOM 0 HB2 LEU A 75 4.572 -12.638 16.801 1.00 0.00 H new ATOM 0 HB3 LEU A 75 5.138 -12.105 15.230 1.00 0.00 H new ATOM 0 HG LEU A 75 7.341 -11.531 16.260 1.00 0.00 H new ATOM 0 HD11 LEU A 75 7.863 -12.450 18.486 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.595 -11.205 18.566 1.00 0.00 H new ATOM 0 HD13 LEU A 75 6.160 -12.927 18.684 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.097 -13.867 16.481 1.00 0.00 H new ATOM 0 HD22 LEU A 75 6.403 -14.399 16.600 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.999 -13.657 15.096 1.00 0.00 H new ATOM 1191 N TYR A 76 6.151 -9.339 15.005 1.00 0.00 N ATOM 1192 CA TYR A 76 7.187 -8.414 14.565 1.00 0.00 C ATOM 1193 C TYR A 76 7.027 -7.055 15.239 1.00 0.00 C ATOM 1194 O TYR A 76 7.970 -6.525 15.824 1.00 0.00 O ATOM 1195 CB TYR A 76 7.142 -8.249 13.045 1.00 0.00 C ATOM 1196 CG TYR A 76 8.227 -7.349 12.500 1.00 0.00 C ATOM 1197 CD1 TYR A 76 8.112 -5.966 12.573 1.00 0.00 C ATOM 1198 CD2 TYR A 76 9.368 -7.881 11.912 1.00 0.00 C ATOM 1199 CE1 TYR A 76 9.101 -5.139 12.076 1.00 0.00 C ATOM 1200 CE2 TYR A 76 10.363 -7.061 11.414 1.00 0.00 C ATOM 1201 CZ TYR A 76 10.225 -5.692 11.498 1.00 0.00 C ATOM 1202 OH TYR A 76 11.213 -4.872 11.002 1.00 0.00 O ATOM 0 H TYR A 76 5.669 -9.823 14.248 1.00 0.00 H new ATOM 0 HA TYR A 76 8.153 -8.830 14.851 1.00 0.00 H new ATOM 0 HB2 TYR A 76 7.228 -9.231 12.579 1.00 0.00 H new ATOM 0 HB3 TYR A 76 6.170 -7.845 12.761 1.00 0.00 H new ATOM 0 HD1 TYR A 76 7.234 -5.530 13.026 1.00 0.00 H new ATOM 0 HD2 TYR A 76 9.479 -8.953 11.843 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.995 -4.066 12.140 1.00 0.00 H new ATOM 0 HE2 TYR A 76 11.244 -7.491 10.961 1.00 0.00 H new ATOM 0 HH TYR A 76 11.936 -5.419 10.630 1.00 0.00 H new ATOM 1212 N ASN A 77 5.823 -6.497 15.153 1.00 0.00 N ATOM 1213 CA ASN A 77 5.537 -5.200 15.755 1.00 0.00 C ATOM 1214 C ASN A 77 5.639 -5.272 17.276 1.00 0.00 C ATOM 1215 O ASN A 77 6.051 -4.311 17.928 1.00 0.00 O ATOM 1216 CB ASN A 77 4.142 -4.723 15.349 1.00 0.00 C ATOM 1217 CG ASN A 77 4.047 -4.408 13.868 1.00 0.00 C ATOM 1218 OD1 ASN A 77 5.060 -4.322 13.175 1.00 0.00 O ATOM 1219 ND2 ASN A 77 2.825 -4.234 13.377 1.00 0.00 N ATOM 0 H ASN A 77 5.031 -6.923 14.672 1.00 0.00 H new ATOM 0 HA ASN A 77 6.278 -4.487 15.392 1.00 0.00 H new ATOM 0 HB2 ASN A 77 3.411 -5.490 15.602 1.00 0.00 H new ATOM 0 HB3 ASN A 77 3.883 -3.834 15.924 1.00 0.00 H new ATOM 0 HD21 ASN A 77 2.699 -4.020 12.388 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.013 -4.315 13.989 1.00 0.00 H new ATOM 1226 N THR A 78 5.262 -6.417 17.836 1.00 0.00 N ATOM 1227 CA THR A 78 5.310 -6.614 19.279 1.00 0.00 C ATOM 1228 C THR A 78 6.737 -6.492 19.803 1.00 0.00 C ATOM 1229 O THR A 78 6.955 -6.077 20.941 1.00 0.00 O ATOM 1230 CB THR A 78 4.746 -7.992 19.677 1.00 0.00 C ATOM 1231 OG1 THR A 78 3.376 -8.094 19.274 1.00 0.00 O ATOM 1232 CG2 THR A 78 4.856 -8.208 21.178 1.00 0.00 C ATOM 0 H THR A 78 4.920 -7.222 17.312 1.00 0.00 H new ATOM 0 HA THR A 78 4.693 -5.834 19.725 1.00 0.00 H new ATOM 0 HB THR A 78 5.331 -8.760 19.172 1.00 0.00 H new ATOM 0 HG1 THR A 78 3.327 -8.490 18.379 1.00 0.00 H new ATOM 0 HG21 THR A 78 4.452 -9.187 21.435 1.00 0.00 H new ATOM 0 HG22 THR A 78 5.903 -8.158 21.477 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.292 -7.434 21.699 1.00 0.00 H new ATOM 1240 N GLU A 79 7.703 -6.855 18.966 1.00 0.00 N ATOM 1241 CA GLU A 79 9.109 -6.785 19.347 1.00 0.00 C ATOM 1242 C GLU A 79 9.617 -5.346 19.293 1.00 0.00 C ATOM 1243 O GLU A 79 10.441 -4.936 20.110 1.00 0.00 O ATOM 1244 CB GLU A 79 9.954 -7.670 18.429 1.00 0.00 C ATOM 1245 CG GLU A 79 10.070 -9.107 18.908 1.00 0.00 C ATOM 1246 CD GLU A 79 11.504 -9.517 19.183 1.00 0.00 C ATOM 1247 OE1 GLU A 79 11.982 -9.283 20.312 1.00 0.00 O ATOM 1248 OE2 GLU A 79 12.148 -10.072 18.268 1.00 0.00 O ATOM 0 H GLU A 79 7.538 -7.200 18.020 1.00 0.00 H new ATOM 0 HA GLU A 79 9.199 -7.146 20.372 1.00 0.00 H new ATOM 0 HB2 GLU A 79 9.519 -7.663 17.430 1.00 0.00 H new ATOM 0 HB3 GLU A 79 10.953 -7.242 18.344 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.480 -9.232 19.816 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.644 -9.772 18.157 1.00 0.00 H new ATOM 1255 N VAL A 80 9.118 -4.585 18.324 1.00 0.00 N ATOM 1256 CA VAL A 80 9.519 -3.193 18.162 1.00 0.00 C ATOM 1257 C VAL A 80 8.966 -2.327 19.288 1.00 0.00 C ATOM 1258 O VAL A 80 9.713 -1.622 19.968 1.00 0.00 O ATOM 1259 CB VAL A 80 9.043 -2.625 16.812 1.00 0.00 C ATOM 1260 CG1 VAL A 80 9.384 -1.146 16.704 1.00 0.00 C ATOM 1261 CG2 VAL A 80 9.656 -3.407 15.660 1.00 0.00 C ATOM 0 H VAL A 80 8.435 -4.909 17.639 1.00 0.00 H new ATOM 0 HA VAL A 80 10.608 -3.172 18.193 1.00 0.00 H new ATOM 0 HB VAL A 80 7.959 -2.728 16.756 1.00 0.00 H new ATOM 0 HG11 VAL A 80 9.040 -0.762 15.743 1.00 0.00 H new ATOM 0 HG12 VAL A 80 8.893 -0.600 17.510 1.00 0.00 H new ATOM 0 HG13 VAL A 80 10.463 -1.015 16.781 1.00 0.00 H new ATOM 0 HG21 VAL A 80 9.309 -2.992 14.713 1.00 0.00 H new ATOM 0 HG22 VAL A 80 10.743 -3.337 15.710 1.00 0.00 H new ATOM 0 HG23 VAL A 80 9.356 -4.453 15.730 1.00 0.00 H new ATOM 1271 N LEU A 81 7.654 -2.385 19.482 1.00 0.00 N ATOM 1272 CA LEU A 81 6.999 -1.607 20.527 1.00 0.00 C ATOM 1273 C LEU A 81 7.626 -1.888 21.889 1.00 0.00 C ATOM 1274 O LEU A 81 8.062 -0.970 22.585 1.00 0.00 O ATOM 1275 CB LEU A 81 5.503 -1.924 20.566 1.00 0.00 C ATOM 1276 CG LEU A 81 4.703 -1.543 19.320 1.00 0.00 C ATOM 1277 CD1 LEU A 81 3.238 -1.912 19.492 1.00 0.00 C ATOM 1278 CD2 LEU A 81 4.850 -0.057 19.026 1.00 0.00 C ATOM 0 H LEU A 81 7.022 -2.963 18.929 1.00 0.00 H new ATOM 0 HA LEU A 81 7.134 -0.550 20.297 1.00 0.00 H new ATOM 0 HB2 LEU A 81 5.383 -2.994 20.737 1.00 0.00 H new ATOM 0 HB3 LEU A 81 5.066 -1.413 21.424 1.00 0.00 H new ATOM 0 HG LEU A 81 5.099 -2.102 18.472 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.685 -1.633 18.595 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.150 -2.986 19.653 1.00 0.00 H new ATOM 0 HD13 LEU A 81 2.828 -1.381 20.351 1.00 0.00 H new ATOM 0 HD21 LEU A 81 4.274 0.197 18.136 1.00 0.00 H new ATOM 0 HD22 LEU A 81 4.481 0.520 19.874 1.00 0.00 H new ATOM 0 HD23 LEU A 81 5.901 0.178 18.857 1.00 0.00 H new ATOM 1290 N LEU A 82 7.669 -3.162 22.262 1.00 0.00 N ATOM 1291 CA LEU A 82 8.245 -3.566 23.541 1.00 0.00 C ATOM 1292 C LEU A 82 9.669 -3.039 23.687 1.00 0.00 C ATOM 1293 O LEU A 82 10.033 -2.484 24.723 1.00 0.00 O ATOM 1294 CB LEU A 82 8.237 -5.090 23.667 1.00 0.00 C ATOM 1295 CG LEU A 82 6.996 -5.703 24.317 1.00 0.00 C ATOM 1296 CD1 LEU A 82 6.963 -5.392 25.805 1.00 0.00 C ATOM 1297 CD2 LEU A 82 5.733 -5.197 23.636 1.00 0.00 C ATOM 0 H LEU A 82 7.312 -3.933 21.698 1.00 0.00 H new ATOM 0 HA LEU A 82 7.636 -3.139 24.338 1.00 0.00 H new ATOM 0 HB2 LEU A 82 8.350 -5.518 22.671 1.00 0.00 H new ATOM 0 HB3 LEU A 82 9.111 -5.392 24.244 1.00 0.00 H new ATOM 0 HG LEU A 82 7.042 -6.785 24.195 1.00 0.00 H new ATOM 0 HD11 LEU A 82 6.073 -5.836 26.250 1.00 0.00 H new ATOM 0 HD12 LEU A 82 7.852 -5.804 26.283 1.00 0.00 H new ATOM 0 HD13 LEU A 82 6.941 -4.312 25.951 1.00 0.00 H new ATOM 0 HD21 LEU A 82 4.860 -5.643 24.111 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.681 -4.112 23.727 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.753 -5.473 22.582 1.00 0.00 H new ATOM 1309 N SER A 83 10.470 -3.216 22.641 1.00 0.00 N ATOM 1310 CA SER A 83 11.855 -2.760 22.653 1.00 0.00 C ATOM 1311 C SER A 83 11.927 -1.246 22.825 1.00 0.00 C ATOM 1312 O SER A 83 12.727 -0.736 23.610 1.00 0.00 O ATOM 1313 CB SER A 83 12.562 -3.172 21.360 1.00 0.00 C ATOM 1314 OG SER A 83 13.927 -2.795 21.382 1.00 0.00 O ATOM 0 H SER A 83 10.184 -3.672 21.775 1.00 0.00 H new ATOM 0 HA SER A 83 12.358 -3.229 23.499 1.00 0.00 H new ATOM 0 HB2 SER A 83 12.482 -4.251 21.226 1.00 0.00 H new ATOM 0 HB3 SER A 83 12.067 -2.707 20.507 1.00 0.00 H new ATOM 0 HG SER A 83 14.356 -3.071 20.545 1.00 0.00 H new ATOM 1320 N HIS A 84 11.086 -0.532 22.083 1.00 0.00 N ATOM 1321 CA HIS A 84 11.053 0.925 22.153 1.00 0.00 C ATOM 1322 C HIS A 84 10.652 1.393 23.549 1.00 0.00 C ATOM 1323 O HIS A 84 11.394 2.123 24.207 1.00 0.00 O ATOM 1324 CB HIS A 84 10.078 1.484 21.116 1.00 0.00 C ATOM 1325 CG HIS A 84 10.283 2.938 20.825 1.00 0.00 C ATOM 1326 ND1 HIS A 84 9.574 3.939 21.454 1.00 0.00 N ATOM 1327 CD2 HIS A 84 11.126 3.559 19.966 1.00 0.00 C ATOM 1328 CE1 HIS A 84 9.970 5.113 20.994 1.00 0.00 C ATOM 1329 NE2 HIS A 84 10.911 4.910 20.090 1.00 0.00 N ATOM 0 H HIS A 84 10.419 -0.938 21.427 1.00 0.00 H new ATOM 0 HA HIS A 84 12.055 1.297 21.938 1.00 0.00 H new ATOM 0 HB2 HIS A 84 10.181 0.918 20.190 1.00 0.00 H new ATOM 0 HB3 HIS A 84 9.058 1.333 21.470 1.00 0.00 H new ATOM 0 HD2 HIS A 84 11.835 3.081 19.306 1.00 0.00 H new ATOM 0 HE1 HIS A 84 9.589 6.075 21.305 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.399 5.638 19.568 1.00 0.00 H new ATOM 1337 N LEU A 85 9.475 0.969 23.994 1.00 0.00 N ATOM 1338 CA LEU A 85 8.975 1.345 25.312 1.00 0.00 C ATOM 1339 C LEU A 85 9.959 0.940 26.404 1.00 0.00 C ATOM 1340 O LEU A 85 10.011 1.558 27.468 1.00 0.00 O ATOM 1341 CB LEU A 85 7.614 0.694 25.568 1.00 0.00 C ATOM 1342 CG LEU A 85 6.519 1.616 26.105 1.00 0.00 C ATOM 1343 CD1 LEU A 85 5.488 1.904 25.025 1.00 0.00 C ATOM 1344 CD2 LEU A 85 5.855 1.000 27.328 1.00 0.00 C ATOM 0 H LEU A 85 8.849 0.365 23.462 1.00 0.00 H new ATOM 0 HA LEU A 85 8.862 2.429 25.335 1.00 0.00 H new ATOM 0 HB2 LEU A 85 7.264 0.252 24.635 1.00 0.00 H new ATOM 0 HB3 LEU A 85 7.752 -0.123 26.276 1.00 0.00 H new ATOM 0 HG LEU A 85 6.978 2.559 26.402 1.00 0.00 H new ATOM 0 HD11 LEU A 85 4.716 2.562 25.425 1.00 0.00 H new ATOM 0 HD12 LEU A 85 5.974 2.388 24.178 1.00 0.00 H new ATOM 0 HD13 LEU A 85 5.034 0.969 24.697 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.078 1.670 27.697 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.410 0.043 27.057 1.00 0.00 H new ATOM 0 HD23 LEU A 85 6.601 0.845 28.108 1.00 0.00 H new ATOM 1356 N SER A 86 10.740 -0.101 26.133 1.00 0.00 N ATOM 1357 CA SER A 86 11.723 -0.590 27.094 1.00 0.00 C ATOM 1358 C SER A 86 12.670 0.528 27.518 1.00 0.00 C ATOM 1359 O SER A 86 12.966 0.691 28.702 1.00 0.00 O ATOM 1360 CB SER A 86 12.520 -1.750 26.494 1.00 0.00 C ATOM 1361 OG SER A 86 12.401 -2.916 27.290 1.00 0.00 O ATOM 0 H SER A 86 10.711 -0.622 25.257 1.00 0.00 H new ATOM 0 HA SER A 86 11.189 -0.944 27.976 1.00 0.00 H new ATOM 0 HB2 SER A 86 12.163 -1.957 25.485 1.00 0.00 H new ATOM 0 HB3 SER A 86 13.570 -1.469 26.410 1.00 0.00 H new ATOM 0 HG SER A 86 12.918 -3.643 26.884 1.00 0.00 H new ATOM 1367 N TYR A 87 13.144 1.295 26.542 1.00 0.00 N ATOM 1368 CA TYR A 87 14.061 2.396 26.813 1.00 0.00 C ATOM 1369 C TYR A 87 13.326 3.574 27.446 1.00 0.00 C ATOM 1370 O TYR A 87 13.703 4.053 28.517 1.00 0.00 O ATOM 1371 CB TYR A 87 14.748 2.845 25.522 1.00 0.00 C ATOM 1372 CG TYR A 87 15.562 4.109 25.677 1.00 0.00 C ATOM 1373 CD1 TYR A 87 16.661 4.151 26.525 1.00 0.00 C ATOM 1374 CD2 TYR A 87 15.233 5.261 24.973 1.00 0.00 C ATOM 1375 CE1 TYR A 87 17.407 5.305 26.671 1.00 0.00 C ATOM 1376 CE2 TYR A 87 15.975 6.418 25.111 1.00 0.00 C ATOM 1377 CZ TYR A 87 17.061 6.435 25.961 1.00 0.00 C ATOM 1378 OH TYR A 87 17.802 7.586 26.102 1.00 0.00 O ATOM 0 H TYR A 87 12.909 1.175 25.557 1.00 0.00 H new ATOM 0 HA TYR A 87 14.816 2.042 27.515 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.399 2.045 25.170 1.00 0.00 H new ATOM 0 HB3 TYR A 87 13.991 3.002 24.753 1.00 0.00 H new ATOM 0 HD1 TYR A 87 16.937 3.267 27.080 1.00 0.00 H new ATOM 0 HD2 TYR A 87 14.383 5.252 24.307 1.00 0.00 H new ATOM 0 HE1 TYR A 87 18.256 5.322 27.338 1.00 0.00 H new ATOM 0 HE2 TYR A 87 15.706 7.305 24.556 1.00 0.00 H new ATOM 0 HH TYR A 87 17.426 8.289 25.532 1.00 0.00 H new ATOM 1388 N LEU A 88 12.274 4.035 26.778 1.00 0.00 N ATOM 1389 CA LEU A 88 11.484 5.156 27.274 1.00 0.00 C ATOM 1390 C LEU A 88 11.051 4.920 28.718 1.00 0.00 C ATOM 1391 O LEU A 88 10.951 5.859 29.508 1.00 0.00 O ATOM 1392 CB LEU A 88 10.255 5.371 26.390 1.00 0.00 C ATOM 1393 CG LEU A 88 10.501 6.087 25.061 1.00 0.00 C ATOM 1394 CD1 LEU A 88 11.212 5.167 24.082 1.00 0.00 C ATOM 1395 CD2 LEU A 88 9.188 6.584 24.473 1.00 0.00 C ATOM 0 H LEU A 88 11.949 3.650 25.891 1.00 0.00 H new ATOM 0 HA LEU A 88 12.107 6.050 27.242 1.00 0.00 H new ATOM 0 HB2 LEU A 88 9.809 4.399 26.179 1.00 0.00 H new ATOM 0 HB3 LEU A 88 9.520 5.942 26.957 1.00 0.00 H new ATOM 0 HG LEU A 88 11.142 6.949 25.247 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.378 5.694 23.142 1.00 0.00 H new ATOM 0 HD12 LEU A 88 12.171 4.861 24.501 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.598 4.285 23.900 1.00 0.00 H new ATOM 0 HD21 LEU A 88 9.381 7.091 23.528 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.523 5.738 24.301 1.00 0.00 H new ATOM 0 HD23 LEU A 88 8.718 7.280 25.168 1.00 0.00 H new