USER MOD reduce.3.24.130724 H: found=0, std=0, add=442, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 444 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 71 ASN : amide:sc= 0.29 K(o=0.51,f=-3.8!) USER MOD Set 1.2: A 72 THR OG1 : rot 63:sc= 0.223 USER MOD Set 2.1: A 39 THR OG1 : rot -71:sc= 1.25 USER MOD Set 2.2: A 41 ASN : amide:sc= 0.183 K(o=1.4,f=-0.98!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -122:sc= 0.0406 (180deg=0) USER MOD Single : A 50 MET CE :methyl -139:sc= -6.69! (180deg=-11.1!) USER MOD Single : A 51 THR OG1 : rot -125:sc= -1.76! USER MOD Single : A 52 GLN : amide:sc= 0.997 K(o=1,f=-0.022) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl -144:sc= -2.03 (180deg=-3.86!) USER MOD Single : A 65 SER OG : rot 6:sc= 0.929 USER MOD Single : A 70 THR OG1 : rot 180:sc=-0.00122 USER MOD Single : A 75 TYR OH : rot 153:sc= 1.35 USER MOD Single : A 90 THR OG1 : rot -24:sc= 0.452 USER MOD Single : A 92 THR OG1 : rot -94:sc= 0.559 USER MOD Single : A 94 THR OG1 : rot 121:sc= 1.25 USER MOD Single : A 96 ASN : amide:sc= 0.536 K(o=0.54,f=-5.1!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot -28:sc= 0.244 USER MOD Single : A 102 THR OG1 : rot -44:sc= 0.118 USER MOD Single : A 103 ASN : amide:sc= -0.0758 K(o=-0.076,f=-2.8!) USER MOD Single : A 106 ASN : amide:sc= -0.335 X(o=-0.34,f=-0.29) USER MOD Single : A 107 LYS NZ :NH3+ -137:sc= 0.672 (180deg=-0.0848) USER MOD ----------------------------------------------------------------- ATOM 334 N LEU A 38 -2.947 1.072 -1.850 1.00 0.00 N ATOM 335 CA LEU A 38 -2.884 0.551 -0.489 1.00 0.00 C ATOM 336 C LEU A 38 -2.321 1.593 0.478 1.00 0.00 C ATOM 337 O LEU A 38 -1.596 2.504 0.081 1.00 0.00 O ATOM 338 CB LEU A 38 -2.011 -0.703 -0.435 1.00 0.00 C ATOM 339 CG LEU A 38 -2.155 -1.527 0.842 1.00 0.00 C ATOM 340 CD1 LEU A 38 -3.298 -2.511 0.700 1.00 0.00 C ATOM 341 CD2 LEU A 38 -0.869 -2.245 1.190 1.00 0.00 C ATOM 0 HA LEU A 38 -3.902 0.303 -0.188 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.255 -1.336 -1.289 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.968 -0.408 -0.545 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.377 -0.843 1.661 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.392 -3.094 1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.225 -1.968 0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.100 -3.180 -0.137 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.010 -2.821 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.596 -2.917 0.376 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.074 -1.515 1.340 1.00 0.00 H new ATOM 353 N THR A 39 -2.681 1.454 1.742 1.00 0.00 N ATOM 354 CA THR A 39 -2.196 2.329 2.795 1.00 0.00 C ATOM 355 C THR A 39 -1.627 1.528 3.963 1.00 0.00 C ATOM 356 O THR A 39 -1.607 0.294 3.930 1.00 0.00 O ATOM 357 CB THR A 39 -3.317 3.243 3.319 1.00 0.00 C ATOM 358 OG1 THR A 39 -4.322 2.463 3.988 1.00 0.00 O ATOM 359 CG2 THR A 39 -3.945 4.005 2.174 1.00 0.00 C ATOM 0 H THR A 39 -3.320 0.729 2.068 1.00 0.00 H new ATOM 0 HA THR A 39 -1.406 2.940 2.359 1.00 0.00 H new ATOM 0 HB THR A 39 -2.885 3.951 4.027 1.00 0.00 H new ATOM 0 HG1 THR A 39 -4.820 1.936 3.329 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.737 4.649 2.556 1.00 0.00 H new ATOM 0 HG22 THR A 39 -3.187 4.615 1.684 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.365 3.301 1.455 1.00 0.00 H new ATOM 367 N ALA A 40 -1.189 2.228 5.004 1.00 0.00 N ATOM 368 CA ALA A 40 -0.699 1.578 6.218 1.00 0.00 C ATOM 369 C ALA A 40 -1.835 0.852 6.920 1.00 0.00 C ATOM 370 O ALA A 40 -1.667 -0.231 7.483 1.00 0.00 O ATOM 371 CB ALA A 40 -0.094 2.610 7.154 1.00 0.00 C ATOM 0 H ALA A 40 -1.163 3.247 5.033 1.00 0.00 H new ATOM 0 HA ALA A 40 0.067 0.854 5.941 1.00 0.00 H new ATOM 0 HB1 ALA A 40 0.268 2.116 8.055 1.00 0.00 H new ATOM 0 HB2 ALA A 40 0.737 3.110 6.656 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -0.852 3.346 7.423 1.00 0.00 H new ATOM 377 N ASN A 41 -2.994 1.475 6.855 1.00 0.00 N ATOM 378 CA ASN A 41 -4.208 0.970 7.471 1.00 0.00 C ATOM 379 C ASN A 41 -4.589 -0.368 6.868 1.00 0.00 C ATOM 380 O ASN A 41 -4.995 -1.296 7.569 1.00 0.00 O ATOM 381 CB ASN A 41 -5.318 1.984 7.238 1.00 0.00 C ATOM 382 CG ASN A 41 -4.953 3.348 7.792 1.00 0.00 C ATOM 383 OD1 ASN A 41 -4.134 4.060 7.212 1.00 0.00 O ATOM 384 ND2 ASN A 41 -5.564 3.742 8.894 1.00 0.00 N ATOM 0 H ASN A 41 -3.123 2.360 6.365 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.049 0.825 8.540 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.518 2.066 6.170 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -6.237 1.633 7.708 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.362 4.661 9.289 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -6.238 3.128 9.351 1.00 0.00 H new ATOM 391 N ASP A 42 -4.444 -0.447 5.559 1.00 0.00 N ATOM 392 CA ASP A 42 -4.718 -1.671 4.819 1.00 0.00 C ATOM 393 C ASP A 42 -3.677 -2.741 5.118 1.00 0.00 C ATOM 394 O ASP A 42 -3.963 -3.928 5.024 1.00 0.00 O ATOM 395 CB ASP A 42 -4.778 -1.396 3.319 1.00 0.00 C ATOM 396 CG ASP A 42 -5.982 -0.569 2.923 1.00 0.00 C ATOM 397 OD1 ASP A 42 -7.086 -1.146 2.788 1.00 0.00 O ATOM 398 OD2 ASP A 42 -5.829 0.659 2.741 1.00 0.00 O ATOM 0 H ASP A 42 -4.134 0.331 4.977 1.00 0.00 H new ATOM 0 HA ASP A 42 -5.690 -2.042 5.144 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -3.870 -0.877 3.013 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -4.801 -2.344 2.781 1.00 0.00 H new ATOM 403 N VAL A 43 -2.474 -2.327 5.483 1.00 0.00 N ATOM 404 CA VAL A 43 -1.446 -3.275 5.902 1.00 0.00 C ATOM 405 C VAL A 43 -1.888 -4.017 7.161 1.00 0.00 C ATOM 406 O VAL A 43 -1.647 -5.211 7.316 1.00 0.00 O ATOM 407 CB VAL A 43 -0.096 -2.579 6.162 1.00 0.00 C ATOM 408 CG1 VAL A 43 0.887 -3.541 6.797 1.00 0.00 C ATOM 409 CG2 VAL A 43 0.483 -2.051 4.874 1.00 0.00 C ATOM 0 H VAL A 43 -2.184 -1.349 5.499 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.310 -3.985 5.086 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.273 -1.747 6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.834 -3.030 6.973 1.00 0.00 H new ATOM 0 HG12 VAL A 43 0.486 -3.898 7.746 1.00 0.00 H new ATOM 0 HG13 VAL A 43 1.050 -4.388 6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.436 -1.563 5.077 1.00 0.00 H new ATOM 0 HG22 VAL A 43 0.639 -2.877 4.180 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.207 -1.331 4.433 1.00 0.00 H new ATOM 419 N SER A 44 -2.568 -3.301 8.041 1.00 0.00 N ATOM 420 CA SER A 44 -3.089 -3.879 9.271 1.00 0.00 C ATOM 421 C SER A 44 -4.170 -4.923 8.967 1.00 0.00 C ATOM 422 O SER A 44 -4.523 -5.742 9.815 1.00 0.00 O ATOM 423 CB SER A 44 -3.645 -2.766 10.149 1.00 0.00 C ATOM 424 OG SER A 44 -4.032 -3.241 11.427 1.00 0.00 O ATOM 0 H SER A 44 -2.774 -2.309 7.925 1.00 0.00 H new ATOM 0 HA SER A 44 -2.282 -4.386 9.800 1.00 0.00 H new ATOM 0 HB2 SER A 44 -2.893 -1.986 10.265 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.504 -2.310 9.656 1.00 0.00 H new ATOM 0 HG SER A 44 -4.382 -2.497 11.960 1.00 0.00 H new ATOM 430 N LYS A 45 -4.683 -4.881 7.741 1.00 0.00 N ATOM 431 CA LYS A 45 -5.710 -5.812 7.290 1.00 0.00 C ATOM 432 C LYS A 45 -5.138 -7.201 7.038 1.00 0.00 C ATOM 433 O LYS A 45 -5.844 -8.199 7.176 1.00 0.00 O ATOM 434 CB LYS A 45 -6.372 -5.277 6.029 1.00 0.00 C ATOM 435 CG LYS A 45 -7.196 -4.023 6.284 1.00 0.00 C ATOM 436 CD LYS A 45 -7.694 -3.420 4.991 1.00 0.00 C ATOM 437 CE LYS A 45 -8.551 -4.407 4.245 1.00 0.00 C ATOM 438 NZ LYS A 45 -8.758 -4.004 2.829 1.00 0.00 N ATOM 0 H LYS A 45 -4.399 -4.202 7.035 1.00 0.00 H new ATOM 0 HA LYS A 45 -6.455 -5.903 8.081 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.605 -5.058 5.286 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -7.015 -6.049 5.606 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -8.044 -4.267 6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -6.592 -3.291 6.820 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -8.268 -2.517 5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.848 -3.123 4.372 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -8.083 -5.391 4.278 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -9.517 -4.497 4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -9.776 -3.910 2.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -8.288 -3.093 2.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -8.355 -4.727 2.200 1.00 0.00 H new ATOM 452 N ILE A 46 -3.868 -7.276 6.660 1.00 0.00 N ATOM 453 CA ILE A 46 -3.240 -8.552 6.434 1.00 0.00 C ATOM 454 C ILE A 46 -2.543 -9.060 7.671 1.00 0.00 C ATOM 455 O ILE A 46 -2.558 -8.429 8.731 1.00 0.00 O ATOM 456 CB ILE A 46 -2.221 -8.536 5.280 1.00 0.00 C ATOM 457 CG1 ILE A 46 -1.111 -7.507 5.501 1.00 0.00 C ATOM 458 CG2 ILE A 46 -2.930 -8.300 3.967 1.00 0.00 C ATOM 459 CD1 ILE A 46 0.040 -7.682 4.536 1.00 0.00 C ATOM 0 H ILE A 46 -3.264 -6.469 6.507 1.00 0.00 H new ATOM 0 HA ILE A 46 -4.059 -9.218 6.163 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.737 -9.512 5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -1.523 -6.504 5.392 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -0.740 -7.590 6.523 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.201 -8.290 3.157 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.653 -9.098 3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.448 -7.342 4.000 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.800 -6.927 4.736 1.00 0.00 H new ATOM 0 HD12 ILE A 46 0.473 -8.675 4.662 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -0.322 -7.571 3.514 1.00 0.00 H new ATOM 471 N ARG A 47 -1.923 -10.210 7.508 1.00 0.00 N ATOM 472 CA ARG A 47 -1.243 -10.885 8.591 1.00 0.00 C ATOM 473 C ARG A 47 -0.383 -11.997 8.030 1.00 0.00 C ATOM 474 O ARG A 47 -0.697 -12.580 6.987 1.00 0.00 O ATOM 475 CB ARG A 47 -2.248 -11.458 9.605 1.00 0.00 C ATOM 476 CG ARG A 47 -3.203 -12.495 9.021 1.00 0.00 C ATOM 477 CD ARG A 47 -4.408 -11.854 8.338 1.00 0.00 C ATOM 478 NE ARG A 47 -5.211 -11.067 9.275 1.00 0.00 N ATOM 479 CZ ARG A 47 -6.518 -10.833 9.137 1.00 0.00 C ATOM 480 NH1 ARG A 47 -7.188 -11.317 8.097 1.00 0.00 N ATOM 481 NH2 ARG A 47 -7.161 -10.111 10.048 1.00 0.00 N ATOM 0 H ARG A 47 -1.877 -10.704 6.617 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.615 -10.161 9.111 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.697 -11.911 10.429 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -2.832 -10.638 10.024 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -2.667 -13.114 8.301 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.548 -13.156 9.816 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -4.066 -11.213 7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.028 -12.631 7.892 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.740 -10.671 10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.704 -11.874 7.393 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.187 -11.131 8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -6.656 -9.736 10.851 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.160 -9.931 9.944 1.00 0.00 H new ATOM 495 N VAL A 48 0.704 -12.272 8.721 1.00 0.00 N ATOM 496 CA VAL A 48 1.641 -13.288 8.308 1.00 0.00 C ATOM 497 C VAL A 48 1.024 -14.661 8.514 1.00 0.00 C ATOM 498 O VAL A 48 0.214 -14.851 9.422 1.00 0.00 O ATOM 499 CB VAL A 48 2.946 -13.183 9.108 1.00 0.00 C ATOM 500 CG1 VAL A 48 4.117 -13.657 8.272 1.00 0.00 C ATOM 501 CG2 VAL A 48 3.165 -11.759 9.581 1.00 0.00 C ATOM 0 H VAL A 48 0.960 -11.795 9.585 1.00 0.00 H new ATOM 0 HA VAL A 48 1.871 -13.141 7.253 1.00 0.00 H new ATOM 0 HB VAL A 48 2.869 -13.826 9.985 1.00 0.00 H new ATOM 0 HG11 VAL A 48 5.035 -13.576 8.853 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.961 -14.696 7.983 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.199 -13.040 7.377 1.00 0.00 H new ATOM 0 HG21 VAL A 48 4.095 -11.702 10.147 1.00 0.00 H new ATOM 0 HG22 VAL A 48 3.224 -11.094 8.719 1.00 0.00 H new ATOM 0 HG23 VAL A 48 2.334 -11.455 10.218 1.00 0.00 H new ATOM 511 N GLY A 49 1.379 -15.605 7.667 1.00 0.00 N ATOM 512 CA GLY A 49 0.822 -16.928 7.782 1.00 0.00 C ATOM 513 C GLY A 49 -0.073 -17.274 6.616 1.00 0.00 C ATOM 514 O GLY A 49 -0.185 -18.443 6.244 1.00 0.00 O ATOM 0 H GLY A 49 2.042 -15.480 6.902 1.00 0.00 H new ATOM 0 HA2 GLY A 49 1.630 -17.656 7.846 1.00 0.00 H new ATOM 0 HA3 GLY A 49 0.253 -17.001 8.709 1.00 0.00 H new ATOM 518 N MET A 50 -0.725 -16.273 6.025 1.00 0.00 N ATOM 519 CA MET A 50 -1.547 -16.532 4.851 1.00 0.00 C ATOM 520 C MET A 50 -0.708 -16.514 3.587 1.00 0.00 C ATOM 521 O MET A 50 0.477 -16.177 3.615 1.00 0.00 O ATOM 522 CB MET A 50 -2.748 -15.585 4.723 1.00 0.00 C ATOM 523 CG MET A 50 -2.447 -14.104 4.799 1.00 0.00 C ATOM 524 SD MET A 50 -3.962 -13.119 4.688 1.00 0.00 S ATOM 525 CE MET A 50 -3.308 -11.464 4.532 1.00 0.00 C ATOM 0 H MET A 50 -0.700 -15.301 6.332 1.00 0.00 H new ATOM 0 HA MET A 50 -1.962 -17.531 4.988 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.241 -15.785 3.772 1.00 0.00 H new ATOM 0 HB3 MET A 50 -3.462 -15.830 5.510 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.934 -13.882 5.735 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.770 -13.826 3.991 1.00 0.00 H new ATOM 0 HE1 MET A 50 -3.903 -10.779 5.137 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.274 -11.447 4.876 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.348 -11.154 3.488 1.00 0.00 H new ATOM 535 N THR A 51 -1.327 -16.878 2.482 1.00 0.00 N ATOM 536 CA THR A 51 -0.597 -17.090 1.250 1.00 0.00 C ATOM 537 C THR A 51 -0.497 -15.817 0.441 1.00 0.00 C ATOM 538 O THR A 51 -0.920 -14.744 0.883 1.00 0.00 O ATOM 539 CB THR A 51 -1.260 -18.157 0.373 1.00 0.00 C ATOM 540 OG1 THR A 51 -2.451 -17.649 -0.233 1.00 0.00 O ATOM 541 CG2 THR A 51 -1.612 -19.347 1.206 1.00 0.00 C ATOM 0 H THR A 51 -2.333 -17.033 2.413 1.00 0.00 H new ATOM 0 HA THR A 51 0.398 -17.424 1.543 1.00 0.00 H new ATOM 0 HB THR A 51 -0.556 -18.440 -0.409 1.00 0.00 H new ATOM 0 HG1 THR A 51 -3.204 -18.238 -0.018 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.083 -20.104 0.579 1.00 0.00 H new ATOM 0 HG22 THR A 51 -0.707 -19.759 1.653 1.00 0.00 H new ATOM 0 HG23 THR A 51 -2.303 -19.048 1.994 1.00 0.00 H new ATOM 549 N GLN A 52 0.051 -15.949 -0.750 1.00 0.00 N ATOM 550 CA GLN A 52 0.101 -14.847 -1.677 1.00 0.00 C ATOM 551 C GLN A 52 -1.301 -14.437 -2.108 1.00 0.00 C ATOM 552 O GLN A 52 -1.616 -13.252 -2.146 1.00 0.00 O ATOM 553 CB GLN A 52 0.930 -15.214 -2.900 1.00 0.00 C ATOM 554 CG GLN A 52 2.338 -15.669 -2.565 1.00 0.00 C ATOM 555 CD GLN A 52 3.242 -15.742 -3.777 1.00 0.00 C ATOM 556 OE1 GLN A 52 3.344 -16.776 -4.437 1.00 0.00 O ATOM 557 NE2 GLN A 52 3.910 -14.639 -4.075 1.00 0.00 N ATOM 0 H GLN A 52 0.468 -16.813 -1.095 1.00 0.00 H new ATOM 0 HA GLN A 52 0.571 -14.004 -1.170 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.422 -16.007 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.984 -14.351 -3.564 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.771 -14.984 -1.837 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.294 -16.650 -2.092 1.00 0.00 H new ATOM 0 HE21 GLN A 52 3.796 -13.803 -3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 52 4.538 -14.625 -4.878 1.00 0.00 H new ATOM 566 N GLN A 53 -2.156 -15.415 -2.396 1.00 0.00 N ATOM 567 CA GLN A 53 -3.489 -15.108 -2.914 1.00 0.00 C ATOM 568 C GLN A 53 -4.298 -14.384 -1.859 1.00 0.00 C ATOM 569 O GLN A 53 -5.100 -13.502 -2.159 1.00 0.00 O ATOM 570 CB GLN A 53 -4.245 -16.365 -3.346 1.00 0.00 C ATOM 571 CG GLN A 53 -4.616 -17.293 -2.216 1.00 0.00 C ATOM 572 CD GLN A 53 -5.702 -18.269 -2.599 1.00 0.00 C ATOM 573 OE1 GLN A 53 -5.425 -19.359 -3.098 1.00 0.00 O ATOM 574 NE2 GLN A 53 -6.946 -17.886 -2.356 1.00 0.00 N ATOM 0 H GLN A 53 -1.957 -16.409 -2.283 1.00 0.00 H new ATOM 0 HA GLN A 53 -3.355 -14.476 -3.792 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -5.155 -16.065 -3.866 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -3.633 -16.913 -4.063 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -3.731 -17.845 -1.899 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.947 -16.704 -1.361 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -7.126 -16.972 -1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.724 -18.505 -2.584 1.00 0.00 H new ATOM 583 N GLN A 54 -4.076 -14.780 -0.621 1.00 0.00 N ATOM 584 CA GLN A 54 -4.732 -14.161 0.510 1.00 0.00 C ATOM 585 C GLN A 54 -4.409 -12.674 0.559 1.00 0.00 C ATOM 586 O GLN A 54 -5.305 -11.830 0.563 1.00 0.00 O ATOM 587 CB GLN A 54 -4.269 -14.814 1.803 1.00 0.00 C ATOM 588 CG GLN A 54 -4.467 -16.316 1.852 1.00 0.00 C ATOM 589 CD GLN A 54 -5.684 -16.727 2.648 1.00 0.00 C ATOM 590 OE1 GLN A 54 -6.698 -16.031 2.666 1.00 0.00 O ATOM 591 NE2 GLN A 54 -5.568 -17.838 3.353 1.00 0.00 N ATOM 0 H GLN A 54 -3.438 -15.537 -0.373 1.00 0.00 H new ATOM 0 HA GLN A 54 -5.808 -14.293 0.398 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -3.211 -14.594 1.948 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -4.806 -14.362 2.637 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -4.559 -16.698 0.835 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -3.582 -16.779 2.288 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -4.708 -18.384 3.307 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -6.339 -18.150 3.943 1.00 0.00 H new ATOM 600 N VAL A 55 -3.118 -12.364 0.576 1.00 0.00 N ATOM 601 CA VAL A 55 -2.662 -10.992 0.656 1.00 0.00 C ATOM 602 C VAL A 55 -3.018 -10.213 -0.599 1.00 0.00 C ATOM 603 O VAL A 55 -3.438 -9.066 -0.519 1.00 0.00 O ATOM 604 CB VAL A 55 -1.148 -10.932 0.876 1.00 0.00 C ATOM 605 CG1 VAL A 55 -0.672 -9.494 0.849 1.00 0.00 C ATOM 606 CG2 VAL A 55 -0.794 -11.589 2.191 1.00 0.00 C ATOM 0 H VAL A 55 -2.368 -13.054 0.535 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.169 -10.536 1.506 1.00 0.00 H new ATOM 0 HB VAL A 55 -0.648 -11.472 0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.406 -9.465 1.007 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.910 -9.050 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.170 -8.931 1.639 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.285 -11.543 2.342 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.297 -11.067 3.005 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -1.114 -12.631 2.175 1.00 0.00 H new ATOM 616 N ALA A 56 -2.864 -10.844 -1.754 1.00 0.00 N ATOM 617 CA ALA A 56 -3.179 -10.194 -3.018 1.00 0.00 C ATOM 618 C ALA A 56 -4.630 -9.758 -3.032 1.00 0.00 C ATOM 619 O ALA A 56 -4.979 -8.740 -3.610 1.00 0.00 O ATOM 620 CB ALA A 56 -2.895 -11.121 -4.190 1.00 0.00 C ATOM 0 H ALA A 56 -2.524 -11.802 -1.842 1.00 0.00 H new ATOM 0 HA ALA A 56 -2.544 -9.314 -3.119 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.138 -10.613 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -1.840 -11.395 -4.190 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.503 -12.021 -4.098 1.00 0.00 H new ATOM 626 N TYR A 57 -5.475 -10.541 -2.401 1.00 0.00 N ATOM 627 CA TYR A 57 -6.883 -10.234 -2.364 1.00 0.00 C ATOM 628 C TYR A 57 -7.213 -9.217 -1.270 1.00 0.00 C ATOM 629 O TYR A 57 -8.044 -8.331 -1.467 1.00 0.00 O ATOM 630 CB TYR A 57 -7.671 -11.521 -2.230 1.00 0.00 C ATOM 631 CG TYR A 57 -7.864 -12.193 -3.576 1.00 0.00 C ATOM 632 CD1 TYR A 57 -6.849 -12.176 -4.536 1.00 0.00 C ATOM 633 CD2 TYR A 57 -9.062 -12.808 -3.908 1.00 0.00 C ATOM 634 CE1 TYR A 57 -7.025 -12.755 -5.768 1.00 0.00 C ATOM 635 CE2 TYR A 57 -9.244 -13.390 -5.150 1.00 0.00 C ATOM 636 CZ TYR A 57 -8.222 -13.361 -6.075 1.00 0.00 C ATOM 637 OH TYR A 57 -8.396 -13.932 -7.314 1.00 0.00 O ATOM 0 H TYR A 57 -5.211 -11.394 -1.908 1.00 0.00 H new ATOM 0 HA TYR A 57 -7.173 -9.756 -3.300 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -7.151 -12.199 -1.554 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -8.643 -11.310 -1.784 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -5.908 -11.698 -4.304 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.865 -12.833 -3.186 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -6.226 -12.735 -6.495 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -10.183 -13.865 -5.394 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.295 -14.319 -7.373 1.00 0.00 H new ATOM 647 N ALA A 58 -6.555 -9.344 -0.121 1.00 0.00 N ATOM 648 CA ALA A 58 -6.746 -8.410 0.987 1.00 0.00 C ATOM 649 C ALA A 58 -6.168 -7.036 0.661 1.00 0.00 C ATOM 650 O ALA A 58 -6.808 -6.000 0.868 1.00 0.00 O ATOM 651 CB ALA A 58 -6.094 -8.955 2.250 1.00 0.00 C ATOM 0 H ALA A 58 -5.882 -10.087 0.068 1.00 0.00 H new ATOM 0 HA ALA A 58 -7.818 -8.300 1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -6.242 -8.251 3.069 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.546 -9.913 2.508 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.026 -9.092 2.078 1.00 0.00 H new ATOM 657 N LEU A 59 -4.955 -7.046 0.141 1.00 0.00 N ATOM 658 CA LEU A 59 -4.194 -5.833 -0.094 1.00 0.00 C ATOM 659 C LEU A 59 -4.414 -5.292 -1.502 1.00 0.00 C ATOM 660 O LEU A 59 -4.369 -4.083 -1.734 1.00 0.00 O ATOM 661 CB LEU A 59 -2.711 -6.132 0.137 1.00 0.00 C ATOM 662 CG LEU A 59 -2.074 -5.380 1.291 1.00 0.00 C ATOM 663 CD1 LEU A 59 -3.036 -5.313 2.456 1.00 0.00 C ATOM 664 CD2 LEU A 59 -0.797 -6.073 1.703 1.00 0.00 C ATOM 0 H LEU A 59 -4.468 -7.900 -0.132 1.00 0.00 H new ATOM 0 HA LEU A 59 -4.535 -5.065 0.600 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.595 -7.201 0.313 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.163 -5.898 -0.776 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.839 -4.364 0.975 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.572 -4.772 3.280 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.945 -4.796 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.286 -6.323 2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.340 -5.532 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.021 -7.093 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.107 -6.095 0.860 1.00 0.00 H new ATOM 676 N GLY A 60 -4.686 -6.187 -2.427 1.00 0.00 N ATOM 677 CA GLY A 60 -4.811 -5.799 -3.811 1.00 0.00 C ATOM 678 C GLY A 60 -3.598 -6.232 -4.600 1.00 0.00 C ATOM 679 O GLY A 60 -2.465 -5.971 -4.193 1.00 0.00 O ATOM 0 H GLY A 60 -4.824 -7.181 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -5.708 -6.246 -4.239 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -4.929 -4.718 -3.881 1.00 0.00 H new ATOM 683 N THR A 61 -3.821 -6.928 -5.700 1.00 0.00 N ATOM 684 CA THR A 61 -2.725 -7.398 -6.519 1.00 0.00 C ATOM 685 C THR A 61 -1.889 -6.229 -7.027 1.00 0.00 C ATOM 686 O THR A 61 -2.420 -5.215 -7.487 1.00 0.00 O ATOM 687 CB THR A 61 -3.226 -8.253 -7.695 1.00 0.00 C ATOM 688 OG1 THR A 61 -4.239 -7.552 -8.428 1.00 0.00 O ATOM 689 CG2 THR A 61 -3.788 -9.573 -7.190 1.00 0.00 C ATOM 0 H THR A 61 -4.748 -7.178 -6.044 1.00 0.00 H new ATOM 0 HA THR A 61 -2.095 -8.029 -5.892 1.00 0.00 H new ATOM 0 HB THR A 61 -2.381 -8.452 -8.354 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.547 -8.108 -9.174 1.00 0.00 H new ATOM 0 HG21 THR A 61 -4.138 -10.166 -8.035 1.00 0.00 H new ATOM 0 HG22 THR A 61 -3.009 -10.121 -6.660 1.00 0.00 H new ATOM 0 HG23 THR A 61 -4.620 -9.379 -6.513 1.00 0.00 H new ATOM 697 N PRO A 62 -0.559 -6.360 -6.925 1.00 0.00 N ATOM 698 CA PRO A 62 0.379 -5.289 -7.260 1.00 0.00 C ATOM 699 C PRO A 62 0.348 -4.958 -8.745 1.00 0.00 C ATOM 700 O PRO A 62 -0.119 -5.750 -9.558 1.00 0.00 O ATOM 701 CB PRO A 62 1.748 -5.861 -6.859 1.00 0.00 C ATOM 702 CG PRO A 62 1.442 -7.032 -5.986 1.00 0.00 C ATOM 703 CD PRO A 62 0.136 -7.573 -6.484 1.00 0.00 C ATOM 0 HA PRO A 62 0.138 -4.357 -6.749 1.00 0.00 H new ATOM 0 HB2 PRO A 62 2.321 -6.163 -7.736 1.00 0.00 H new ATOM 0 HB3 PRO A 62 2.345 -5.119 -6.328 1.00 0.00 H new ATOM 0 HG2 PRO A 62 2.228 -7.784 -6.049 1.00 0.00 H new ATOM 0 HG3 PRO A 62 1.370 -6.733 -4.940 1.00 0.00 H new ATOM 0 HD2 PRO A 62 0.275 -8.282 -7.301 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -0.414 -8.094 -5.700 1.00 0.00 H new ATOM 711 N LEU A 63 0.874 -3.779 -9.063 1.00 0.00 N ATOM 712 CA LEU A 63 0.743 -3.139 -10.376 1.00 0.00 C ATOM 713 C LEU A 63 1.082 -4.081 -11.521 1.00 0.00 C ATOM 714 O LEU A 63 0.500 -3.989 -12.599 1.00 0.00 O ATOM 715 CB LEU A 63 1.670 -1.932 -10.427 1.00 0.00 C ATOM 716 CG LEU A 63 1.621 -1.036 -9.192 1.00 0.00 C ATOM 717 CD1 LEU A 63 3.015 -0.530 -8.872 1.00 0.00 C ATOM 718 CD2 LEU A 63 0.668 0.130 -9.409 1.00 0.00 C ATOM 0 H LEU A 63 1.417 -3.225 -8.401 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.298 -2.842 -10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.693 -2.282 -10.564 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.418 -1.334 -11.303 1.00 0.00 H new ATOM 0 HG LEU A 63 1.252 -1.620 -8.349 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.976 0.109 -7.990 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.674 -1.377 -8.678 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.398 0.041 -9.718 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.649 0.755 -8.516 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.005 0.722 -10.260 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.334 -0.251 -9.607 1.00 0.00 H new ATOM 730 N MET A 64 2.033 -4.978 -11.272 1.00 0.00 N ATOM 731 CA MET A 64 2.441 -5.984 -12.257 1.00 0.00 C ATOM 732 C MET A 64 1.305 -6.946 -12.628 1.00 0.00 C ATOM 733 O MET A 64 1.465 -7.783 -13.513 1.00 0.00 O ATOM 734 CB MET A 64 3.651 -6.768 -11.737 1.00 0.00 C ATOM 735 CG MET A 64 3.571 -7.140 -10.263 1.00 0.00 C ATOM 736 SD MET A 64 5.100 -7.866 -9.658 1.00 0.00 S ATOM 737 CE MET A 64 4.731 -7.939 -7.914 1.00 0.00 C ATOM 0 H MET A 64 2.541 -5.031 -10.389 1.00 0.00 H new ATOM 0 HA MET A 64 2.712 -5.449 -13.167 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.758 -7.680 -12.324 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.551 -6.176 -11.902 1.00 0.00 H new ATOM 0 HG2 MET A 64 3.338 -6.250 -9.678 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.753 -7.844 -10.112 1.00 0.00 H new ATOM 0 HE1 MET A 64 5.636 -7.736 -7.342 1.00 0.00 H new ATOM 0 HE2 MET A 64 3.974 -7.194 -7.671 1.00 0.00 H new ATOM 0 HE3 MET A 64 4.357 -8.932 -7.662 1.00 0.00 H new ATOM 747 N SER A 65 0.175 -6.825 -11.925 1.00 0.00 N ATOM 748 CA SER A 65 -1.045 -7.621 -12.164 1.00 0.00 C ATOM 749 C SER A 65 -0.799 -9.127 -12.026 1.00 0.00 C ATOM 750 O SER A 65 -1.672 -9.944 -12.333 1.00 0.00 O ATOM 751 CB SER A 65 -1.685 -7.289 -13.528 1.00 0.00 C ATOM 752 OG SER A 65 -0.838 -7.611 -14.620 1.00 0.00 O ATOM 0 H SER A 65 0.075 -6.160 -11.158 1.00 0.00 H new ATOM 0 HA SER A 65 -1.752 -7.339 -11.383 1.00 0.00 H new ATOM 0 HB2 SER A 65 -2.623 -7.835 -13.627 1.00 0.00 H new ATOM 0 HB3 SER A 65 -1.928 -6.227 -13.562 1.00 0.00 H new ATOM 0 HG SER A 65 -0.043 -8.079 -14.290 1.00 0.00 H new ATOM 758 N ASP A 66 0.382 -9.485 -11.549 1.00 0.00 N ATOM 759 CA ASP A 66 0.732 -10.873 -11.305 1.00 0.00 C ATOM 760 C ASP A 66 1.545 -10.980 -10.028 1.00 0.00 C ATOM 761 O ASP A 66 2.754 -10.756 -10.004 1.00 0.00 O ATOM 762 CB ASP A 66 1.473 -11.465 -12.501 1.00 0.00 C ATOM 763 CG ASP A 66 2.299 -12.691 -12.155 1.00 0.00 C ATOM 764 OD1 ASP A 66 1.716 -13.719 -11.755 1.00 0.00 O ATOM 765 OD2 ASP A 66 3.540 -12.636 -12.305 1.00 0.00 O ATOM 0 H ASP A 66 1.123 -8.822 -11.321 1.00 0.00 H new ATOM 0 HA ASP A 66 -0.181 -11.455 -11.176 1.00 0.00 H new ATOM 0 HB2 ASP A 66 0.749 -11.730 -13.272 1.00 0.00 H new ATOM 0 HB3 ASP A 66 2.127 -10.704 -12.926 1.00 0.00 H new ATOM 770 N PRO A 67 0.847 -11.262 -8.936 1.00 0.00 N ATOM 771 CA PRO A 67 1.445 -11.378 -7.612 1.00 0.00 C ATOM 772 C PRO A 67 2.225 -12.684 -7.409 1.00 0.00 C ATOM 773 O PRO A 67 3.259 -12.695 -6.739 1.00 0.00 O ATOM 774 CB PRO A 67 0.225 -11.329 -6.689 1.00 0.00 C ATOM 775 CG PRO A 67 -0.891 -11.891 -7.503 1.00 0.00 C ATOM 776 CD PRO A 67 -0.615 -11.453 -8.916 1.00 0.00 C ATOM 0 HA PRO A 67 2.183 -10.597 -7.429 1.00 0.00 H new ATOM 0 HB2 PRO A 67 0.389 -11.915 -5.785 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.009 -10.309 -6.373 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -0.923 -12.978 -7.428 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -1.855 -11.519 -7.158 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -0.932 -12.205 -9.639 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -1.144 -10.532 -9.162 1.00 0.00 H new ATOM 784 N PHE A 68 1.747 -13.770 -8.016 1.00 0.00 N ATOM 785 CA PHE A 68 2.328 -15.093 -7.809 1.00 0.00 C ATOM 786 C PHE A 68 3.595 -15.300 -8.631 1.00 0.00 C ATOM 787 O PHE A 68 4.182 -16.381 -8.612 1.00 0.00 O ATOM 788 CB PHE A 68 1.310 -16.174 -8.167 1.00 0.00 C ATOM 789 CG PHE A 68 0.488 -16.654 -7.009 1.00 0.00 C ATOM 790 CD1 PHE A 68 -0.599 -15.927 -6.562 1.00 0.00 C ATOM 791 CD2 PHE A 68 0.802 -17.844 -6.372 1.00 0.00 C ATOM 792 CE1 PHE A 68 -1.359 -16.374 -5.500 1.00 0.00 C ATOM 793 CE2 PHE A 68 0.046 -18.298 -5.310 1.00 0.00 C ATOM 794 CZ PHE A 68 -1.037 -17.563 -4.873 1.00 0.00 C ATOM 0 H PHE A 68 0.955 -13.757 -8.658 1.00 0.00 H new ATOM 0 HA PHE A 68 2.597 -15.165 -6.755 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.642 -15.787 -8.936 1.00 0.00 H new ATOM 0 HB3 PHE A 68 1.837 -17.024 -8.601 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -0.857 -14.998 -7.049 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.648 -18.423 -6.711 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -2.205 -15.795 -5.159 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.302 -19.227 -4.822 1.00 0.00 H new ATOM 0 HZ PHE A 68 -1.631 -17.916 -4.043 1.00 0.00 H new ATOM 804 N GLY A 69 4.019 -14.271 -9.348 1.00 0.00 N ATOM 805 CA GLY A 69 5.223 -14.388 -10.145 1.00 0.00 C ATOM 806 C GLY A 69 6.457 -14.080 -9.333 1.00 0.00 C ATOM 807 O GLY A 69 7.557 -14.538 -9.645 1.00 0.00 O ATOM 0 H GLY A 69 3.556 -13.363 -9.393 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.296 -15.397 -10.550 1.00 0.00 H new ATOM 0 HA3 GLY A 69 5.166 -13.707 -10.994 1.00 0.00 H new ATOM 811 N THR A 70 6.265 -13.315 -8.274 1.00 0.00 N ATOM 812 CA THR A 70 7.355 -12.893 -7.422 1.00 0.00 C ATOM 813 C THR A 70 7.078 -13.303 -5.977 1.00 0.00 C ATOM 814 O THR A 70 6.007 -13.824 -5.663 1.00 0.00 O ATOM 815 CB THR A 70 7.538 -11.364 -7.496 1.00 0.00 C ATOM 816 OG1 THR A 70 8.772 -10.977 -6.874 1.00 0.00 O ATOM 817 CG2 THR A 70 6.386 -10.663 -6.806 1.00 0.00 C ATOM 0 H THR A 70 5.350 -12.971 -7.983 1.00 0.00 H new ATOM 0 HA THR A 70 8.269 -13.376 -7.768 1.00 0.00 H new ATOM 0 HB THR A 70 7.560 -11.073 -8.546 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.876 -10.004 -6.930 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.528 -9.584 -6.866 1.00 0.00 H new ATOM 0 HG22 THR A 70 5.450 -10.933 -7.295 1.00 0.00 H new ATOM 0 HG23 THR A 70 6.349 -10.967 -5.760 1.00 0.00 H new ATOM 825 N ASN A 71 8.049 -13.068 -5.110 1.00 0.00 N ATOM 826 CA ASN A 71 7.904 -13.348 -3.688 1.00 0.00 C ATOM 827 C ASN A 71 8.168 -12.079 -2.888 1.00 0.00 C ATOM 828 O ASN A 71 8.197 -12.099 -1.658 1.00 0.00 O ATOM 829 CB ASN A 71 8.878 -14.445 -3.247 1.00 0.00 C ATOM 830 CG ASN A 71 10.326 -13.979 -3.254 1.00 0.00 C ATOM 831 OD1 ASN A 71 10.715 -13.121 -4.050 1.00 0.00 O ATOM 832 ND2 ASN A 71 11.129 -14.532 -2.362 1.00 0.00 N ATOM 0 H ASN A 71 8.956 -12.680 -5.368 1.00 0.00 H new ATOM 0 HA ASN A 71 6.887 -13.694 -3.505 1.00 0.00 H new ATOM 0 HB2 ASN A 71 8.613 -14.780 -2.244 1.00 0.00 H new ATOM 0 HB3 ASN A 71 8.774 -15.305 -3.908 1.00 0.00 H new ATOM 0 HD21 ASN A 71 12.109 -14.252 -2.315 1.00 0.00 H new ATOM 0 HD22 ASN A 71 10.769 -15.239 -1.721 1.00 0.00 H new ATOM 839 N THR A 72 8.381 -10.983 -3.604 1.00 0.00 N ATOM 840 CA THR A 72 8.656 -9.702 -2.992 1.00 0.00 C ATOM 841 C THR A 72 7.674 -8.652 -3.504 1.00 0.00 C ATOM 842 O THR A 72 7.724 -8.252 -4.668 1.00 0.00 O ATOM 843 CB THR A 72 10.094 -9.259 -3.298 1.00 0.00 C ATOM 844 OG1 THR A 72 11.010 -10.298 -2.922 1.00 0.00 O ATOM 845 CG2 THR A 72 10.426 -7.995 -2.539 1.00 0.00 C ATOM 0 H THR A 72 8.367 -10.963 -4.624 1.00 0.00 H new ATOM 0 HA THR A 72 8.540 -9.804 -1.913 1.00 0.00 H new ATOM 0 HB THR A 72 10.181 -9.064 -4.367 1.00 0.00 H new ATOM 0 HG1 THR A 72 10.834 -11.099 -3.458 1.00 0.00 H new ATOM 0 HG21 THR A 72 11.448 -7.693 -2.765 1.00 0.00 H new ATOM 0 HG22 THR A 72 9.739 -7.202 -2.835 1.00 0.00 H new ATOM 0 HG23 THR A 72 10.330 -8.178 -1.469 1.00 0.00 H new ATOM 853 N TRP A 73 6.773 -8.224 -2.634 1.00 0.00 N ATOM 854 CA TRP A 73 5.729 -7.280 -3.015 1.00 0.00 C ATOM 855 C TRP A 73 5.998 -5.914 -2.408 1.00 0.00 C ATOM 856 O TRP A 73 6.435 -5.823 -1.266 1.00 0.00 O ATOM 857 CB TRP A 73 4.362 -7.789 -2.551 1.00 0.00 C ATOM 858 CG TRP A 73 3.927 -9.053 -3.227 1.00 0.00 C ATOM 859 CD1 TRP A 73 4.605 -9.757 -4.180 1.00 0.00 C ATOM 860 CD2 TRP A 73 2.707 -9.760 -3.003 1.00 0.00 C ATOM 861 NE1 TRP A 73 3.884 -10.862 -4.554 1.00 0.00 N ATOM 862 CE2 TRP A 73 2.715 -10.885 -3.845 1.00 0.00 C ATOM 863 CE3 TRP A 73 1.610 -9.553 -2.167 1.00 0.00 C ATOM 864 CZ2 TRP A 73 1.672 -11.796 -3.876 1.00 0.00 C ATOM 865 CZ3 TRP A 73 0.571 -10.461 -2.203 1.00 0.00 C ATOM 866 CH2 TRP A 73 0.611 -11.569 -3.051 1.00 0.00 C ATOM 0 H TRP A 73 6.742 -8.515 -1.657 1.00 0.00 H new ATOM 0 HA TRP A 73 5.729 -7.189 -4.101 1.00 0.00 H new ATOM 0 HB2 TRP A 73 4.393 -7.956 -1.474 1.00 0.00 H new ATOM 0 HB3 TRP A 73 3.616 -7.015 -2.732 1.00 0.00 H new ATOM 0 HD1 TRP A 73 5.570 -9.483 -4.581 1.00 0.00 H new ATOM 0 HE1 TRP A 73 4.172 -11.553 -5.247 1.00 0.00 H new ATOM 0 HE3 TRP A 73 1.574 -8.700 -1.505 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 1.699 -12.655 -4.530 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -0.287 -10.312 -1.564 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -0.217 -12.262 -3.053 1.00 0.00 H new ATOM 877 N PHE A 74 5.747 -4.858 -3.172 1.00 0.00 N ATOM 878 CA PHE A 74 5.901 -3.502 -2.658 1.00 0.00 C ATOM 879 C PHE A 74 4.573 -2.760 -2.654 1.00 0.00 C ATOM 880 O PHE A 74 4.001 -2.466 -3.703 1.00 0.00 O ATOM 881 CB PHE A 74 6.940 -2.706 -3.455 1.00 0.00 C ATOM 882 CG PHE A 74 8.362 -3.051 -3.110 1.00 0.00 C ATOM 883 CD1 PHE A 74 8.950 -4.209 -3.590 1.00 0.00 C ATOM 884 CD2 PHE A 74 9.110 -2.208 -2.304 1.00 0.00 C ATOM 885 CE1 PHE A 74 10.259 -4.520 -3.271 1.00 0.00 C ATOM 886 CE2 PHE A 74 10.418 -2.511 -1.982 1.00 0.00 C ATOM 887 CZ PHE A 74 10.994 -3.670 -2.466 1.00 0.00 C ATOM 0 H PHE A 74 5.438 -4.913 -4.143 1.00 0.00 H new ATOM 0 HA PHE A 74 6.256 -3.593 -1.631 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.781 -2.882 -4.519 1.00 0.00 H new ATOM 0 HB3 PHE A 74 6.781 -1.642 -3.280 1.00 0.00 H new ATOM 0 HD1 PHE A 74 8.380 -4.876 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 74 8.664 -1.302 -1.922 1.00 0.00 H new ATOM 0 HE1 PHE A 74 10.707 -5.426 -3.651 1.00 0.00 H new ATOM 0 HE2 PHE A 74 10.989 -1.844 -1.354 1.00 0.00 H new ATOM 0 HZ PHE A 74 12.017 -3.911 -2.216 1.00 0.00 H new ATOM 897 N TYR A 75 4.088 -2.482 -1.460 1.00 0.00 N ATOM 898 CA TYR A 75 2.888 -1.682 -1.264 1.00 0.00 C ATOM 899 C TYR A 75 3.270 -0.375 -0.590 1.00 0.00 C ATOM 900 O TYR A 75 4.425 -0.196 -0.212 1.00 0.00 O ATOM 901 CB TYR A 75 1.880 -2.436 -0.407 1.00 0.00 C ATOM 902 CG TYR A 75 1.331 -3.680 -1.045 1.00 0.00 C ATOM 903 CD1 TYR A 75 0.372 -3.608 -2.047 1.00 0.00 C ATOM 904 CD2 TYR A 75 1.756 -4.923 -0.626 1.00 0.00 C ATOM 905 CE1 TYR A 75 -0.147 -4.751 -2.615 1.00 0.00 C ATOM 906 CE2 TYR A 75 1.247 -6.078 -1.193 1.00 0.00 C ATOM 907 CZ TYR A 75 0.290 -5.983 -2.188 1.00 0.00 C ATOM 908 OH TYR A 75 -0.232 -7.120 -2.756 1.00 0.00 O ATOM 0 H TYR A 75 4.515 -2.805 -0.592 1.00 0.00 H new ATOM 0 HA TYR A 75 2.429 -1.477 -2.231 1.00 0.00 H new ATOM 0 HB2 TYR A 75 2.353 -2.705 0.537 1.00 0.00 H new ATOM 0 HB3 TYR A 75 1.052 -1.768 -0.169 1.00 0.00 H new ATOM 0 HD1 TYR A 75 0.028 -2.642 -2.386 1.00 0.00 H new ATOM 0 HD2 TYR A 75 2.497 -4.996 0.156 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -0.894 -4.680 -3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.594 -7.046 -0.862 1.00 0.00 H new ATOM 0 HH TYR A 75 0.423 -7.846 -2.696 1.00 0.00 H new ATOM 918 N VAL A 76 2.320 0.531 -0.422 1.00 0.00 N ATOM 919 CA VAL A 76 2.639 1.847 0.105 1.00 0.00 C ATOM 920 C VAL A 76 1.832 2.113 1.365 1.00 0.00 C ATOM 921 O VAL A 76 0.741 1.578 1.547 1.00 0.00 O ATOM 922 CB VAL A 76 2.415 2.944 -0.969 1.00 0.00 C ATOM 923 CG1 VAL A 76 1.058 2.782 -1.620 1.00 0.00 C ATOM 924 CG2 VAL A 76 2.575 4.357 -0.407 1.00 0.00 C ATOM 0 H VAL A 76 1.335 0.382 -0.640 1.00 0.00 H new ATOM 0 HA VAL A 76 3.696 1.875 0.372 1.00 0.00 H new ATOM 0 HB VAL A 76 3.191 2.812 -1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.919 3.560 -2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.998 1.804 -2.097 1.00 0.00 H new ATOM 0 HG13 VAL A 76 0.279 2.865 -0.862 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.408 5.085 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.849 4.516 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 76 3.583 4.479 -0.010 1.00 0.00 H new ATOM 934 N PHE A 77 2.407 2.910 2.239 1.00 0.00 N ATOM 935 CA PHE A 77 1.823 3.203 3.532 1.00 0.00 C ATOM 936 C PHE A 77 0.852 4.367 3.451 1.00 0.00 C ATOM 937 O PHE A 77 0.586 4.898 2.375 1.00 0.00 O ATOM 938 CB PHE A 77 2.929 3.538 4.538 1.00 0.00 C ATOM 939 CG PHE A 77 3.043 2.564 5.673 1.00 0.00 C ATOM 940 CD1 PHE A 77 2.653 1.247 5.517 1.00 0.00 C ATOM 941 CD2 PHE A 77 3.536 2.972 6.904 1.00 0.00 C ATOM 942 CE1 PHE A 77 2.748 0.356 6.561 1.00 0.00 C ATOM 943 CE2 PHE A 77 3.634 2.081 7.954 1.00 0.00 C ATOM 944 CZ PHE A 77 3.238 0.771 7.783 1.00 0.00 C ATOM 0 H PHE A 77 3.299 3.377 2.072 1.00 0.00 H new ATOM 0 HA PHE A 77 1.275 2.319 3.859 1.00 0.00 H new ATOM 0 HB2 PHE A 77 3.883 3.579 4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.746 4.533 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.269 0.914 4.564 1.00 0.00 H new ATOM 0 HD2 PHE A 77 3.846 3.997 7.042 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.439 -0.670 6.424 1.00 0.00 H new ATOM 0 HE2 PHE A 77 4.020 2.409 8.908 1.00 0.00 H new ATOM 0 HZ PHE A 77 3.311 0.072 8.603 1.00 0.00 H new ATOM 1137 N THR A 90 7.386 1.743 2.765 1.00 0.00 N ATOM 1138 CA THR A 90 6.641 0.880 1.883 1.00 0.00 C ATOM 1139 C THR A 90 6.603 -0.539 2.419 1.00 0.00 C ATOM 1140 O THR A 90 7.523 -0.982 3.112 1.00 0.00 O ATOM 1141 CB THR A 90 7.281 0.880 0.489 1.00 0.00 C ATOM 1142 OG1 THR A 90 8.711 0.856 0.608 1.00 0.00 O ATOM 1143 CG2 THR A 90 6.850 2.098 -0.302 1.00 0.00 C ATOM 0 HA THR A 90 5.621 1.258 1.820 1.00 0.00 H new ATOM 0 HB THR A 90 6.947 -0.011 -0.043 1.00 0.00 H new ATOM 0 HG1 THR A 90 8.973 1.227 1.476 1.00 0.00 H new ATOM 0 HG21 THR A 90 7.317 2.076 -1.287 1.00 0.00 H new ATOM 0 HG22 THR A 90 5.766 2.094 -0.414 1.00 0.00 H new ATOM 0 HG23 THR A 90 7.157 3.001 0.225 1.00 0.00 H new ATOM 1151 N LEU A 91 5.541 -1.250 2.091 1.00 0.00 N ATOM 1152 CA LEU A 91 5.359 -2.590 2.591 1.00 0.00 C ATOM 1153 C LEU A 91 6.000 -3.575 1.641 1.00 0.00 C ATOM 1154 O LEU A 91 5.498 -3.816 0.546 1.00 0.00 O ATOM 1155 CB LEU A 91 3.878 -2.929 2.740 1.00 0.00 C ATOM 1156 CG LEU A 91 3.611 -4.233 3.479 1.00 0.00 C ATOM 1157 CD1 LEU A 91 3.928 -4.074 4.945 1.00 0.00 C ATOM 1158 CD2 LEU A 91 2.184 -4.711 3.312 1.00 0.00 C ATOM 0 H LEU A 91 4.794 -0.918 1.481 1.00 0.00 H new ATOM 0 HA LEU A 91 5.828 -2.652 3.573 1.00 0.00 H new ATOM 0 HB2 LEU A 91 3.381 -2.116 3.269 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.428 -2.987 1.749 1.00 0.00 H new ATOM 0 HG LEU A 91 4.262 -4.988 3.039 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.733 -5.013 5.463 1.00 0.00 H new ATOM 0 HD12 LEU A 91 4.978 -3.805 5.063 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.302 -3.289 5.369 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.047 -5.644 3.858 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.500 -3.958 3.703 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.977 -4.876 2.255 1.00 0.00 H new ATOM 1170 N THR A 92 7.110 -4.133 2.065 1.00 0.00 N ATOM 1171 CA THR A 92 7.806 -5.122 1.283 1.00 0.00 C ATOM 1172 C THR A 92 7.439 -6.489 1.810 1.00 0.00 C ATOM 1173 O THR A 92 7.928 -6.922 2.851 1.00 0.00 O ATOM 1174 CB THR A 92 9.329 -4.941 1.345 1.00 0.00 C ATOM 1175 OG1 THR A 92 9.671 -3.582 1.048 1.00 0.00 O ATOM 1176 CG2 THR A 92 10.012 -5.868 0.351 1.00 0.00 C ATOM 0 H THR A 92 7.552 -3.914 2.958 1.00 0.00 H new ATOM 0 HA THR A 92 7.509 -5.010 0.240 1.00 0.00 H new ATOM 0 HB THR A 92 9.669 -5.188 2.351 1.00 0.00 H new ATOM 0 HG1 THR A 92 9.871 -3.496 0.092 1.00 0.00 H new ATOM 0 HG21 THR A 92 11.092 -5.729 0.406 1.00 0.00 H new ATOM 0 HG22 THR A 92 9.767 -6.903 0.591 1.00 0.00 H new ATOM 0 HG23 THR A 92 9.667 -5.638 -0.657 1.00 0.00 H new ATOM 1184 N LEU A 93 6.553 -7.155 1.120 1.00 0.00 N ATOM 1185 CA LEU A 93 6.059 -8.415 1.607 1.00 0.00 C ATOM 1186 C LEU A 93 6.968 -9.539 1.151 1.00 0.00 C ATOM 1187 O LEU A 93 7.209 -9.707 -0.046 1.00 0.00 O ATOM 1188 CB LEU A 93 4.624 -8.654 1.154 1.00 0.00 C ATOM 1189 CG LEU A 93 3.819 -9.457 2.136 1.00 0.00 C ATOM 1190 CD1 LEU A 93 3.625 -8.644 3.395 1.00 0.00 C ATOM 1191 CD2 LEU A 93 2.495 -9.853 1.554 1.00 0.00 C ATOM 0 H LEU A 93 6.162 -6.851 0.228 1.00 0.00 H new ATOM 0 HA LEU A 93 6.057 -8.389 2.697 1.00 0.00 H new ATOM 0 HB2 LEU A 93 4.136 -7.693 0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 93 4.634 -9.170 0.194 1.00 0.00 H new ATOM 0 HG LEU A 93 4.358 -10.374 2.373 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.041 -9.220 4.113 1.00 0.00 H new ATOM 0 HD12 LEU A 93 4.597 -8.404 3.826 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.097 -7.721 3.155 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.934 -10.433 2.287 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.931 -8.958 1.291 1.00 0.00 H new ATOM 0 HD23 LEU A 93 2.656 -10.456 0.660 1.00 0.00 H new ATOM 1203 N THR A 94 7.483 -10.290 2.111 1.00 0.00 N ATOM 1204 CA THR A 94 8.410 -11.343 1.840 1.00 0.00 C ATOM 1205 C THR A 94 7.713 -12.695 1.949 1.00 0.00 C ATOM 1206 O THR A 94 7.206 -13.067 3.015 1.00 0.00 O ATOM 1207 CB THR A 94 9.586 -11.269 2.820 1.00 0.00 C ATOM 1208 OG1 THR A 94 10.378 -10.099 2.566 1.00 0.00 O ATOM 1209 CG2 THR A 94 10.426 -12.511 2.710 1.00 0.00 C ATOM 0 H THR A 94 7.260 -10.175 3.100 1.00 0.00 H new ATOM 0 HA THR A 94 8.791 -11.229 0.825 1.00 0.00 H new ATOM 0 HB THR A 94 9.194 -11.201 3.835 1.00 0.00 H new ATOM 0 HG1 THR A 94 10.405 -9.541 3.371 1.00 0.00 H new ATOM 0 HG21 THR A 94 11.259 -12.450 3.410 1.00 0.00 H new ATOM 0 HG22 THR A 94 9.817 -13.384 2.946 1.00 0.00 H new ATOM 0 HG23 THR A 94 10.811 -12.601 1.694 1.00 0.00 H new ATOM 1217 N PHE A 95 7.687 -13.416 0.839 1.00 0.00 N ATOM 1218 CA PHE A 95 6.997 -14.691 0.771 1.00 0.00 C ATOM 1219 C PHE A 95 7.965 -15.857 0.767 1.00 0.00 C ATOM 1220 O PHE A 95 9.099 -15.757 0.293 1.00 0.00 O ATOM 1221 CB PHE A 95 6.099 -14.760 -0.461 1.00 0.00 C ATOM 1222 CG PHE A 95 4.780 -14.093 -0.259 1.00 0.00 C ATOM 1223 CD1 PHE A 95 3.815 -14.705 0.509 1.00 0.00 C ATOM 1224 CD2 PHE A 95 4.502 -12.868 -0.830 1.00 0.00 C ATOM 1225 CE1 PHE A 95 2.591 -14.116 0.713 1.00 0.00 C ATOM 1226 CE2 PHE A 95 3.278 -12.268 -0.632 1.00 0.00 C ATOM 1227 CZ PHE A 95 2.320 -12.896 0.142 1.00 0.00 C ATOM 0 H PHE A 95 8.139 -13.136 -0.031 1.00 0.00 H new ATOM 0 HA PHE A 95 6.380 -14.766 1.666 1.00 0.00 H new ATOM 0 HB2 PHE A 95 6.610 -14.294 -1.303 1.00 0.00 H new ATOM 0 HB3 PHE A 95 5.935 -15.804 -0.726 1.00 0.00 H new ATOM 0 HD1 PHE A 95 4.024 -15.664 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.249 -12.377 -1.436 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.846 -14.609 1.319 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.067 -11.309 -1.081 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.359 -12.428 0.298 1.00 0.00 H new ATOM 1237 N ASN A 96 7.493 -16.953 1.328 1.00 0.00 N ATOM 1238 CA ASN A 96 8.246 -18.188 1.412 1.00 0.00 C ATOM 1239 C ASN A 96 8.312 -18.866 0.054 1.00 0.00 C ATOM 1240 O ASN A 96 7.637 -18.441 -0.882 1.00 0.00 O ATOM 1241 CB ASN A 96 7.559 -19.120 2.403 1.00 0.00 C ATOM 1242 CG ASN A 96 8.505 -20.016 3.138 1.00 0.00 C ATOM 1243 OD1 ASN A 96 9.598 -20.329 2.667 1.00 0.00 O ATOM 1244 ND2 ASN A 96 8.058 -20.471 4.279 1.00 0.00 N ATOM 0 H ASN A 96 6.563 -17.011 1.744 1.00 0.00 H new ATOM 0 HA ASN A 96 9.260 -17.963 1.742 1.00 0.00 H new ATOM 0 HB2 ASN A 96 7.003 -18.522 3.125 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.832 -19.733 1.869 1.00 0.00 H new ATOM 0 HD21 ASN A 96 8.624 -21.119 4.826 1.00 0.00 H new ATOM 0 HD22 ASN A 96 7.143 -20.178 4.622 1.00 0.00 H new ATOM 1251 N SER A 97 9.087 -19.930 -0.041 1.00 0.00 N ATOM 1252 CA SER A 97 9.169 -20.710 -1.266 1.00 0.00 C ATOM 1253 C SER A 97 7.786 -21.225 -1.672 1.00 0.00 C ATOM 1254 O SER A 97 7.443 -21.245 -2.854 1.00 0.00 O ATOM 1255 CB SER A 97 10.137 -21.875 -1.065 1.00 0.00 C ATOM 1256 OG SER A 97 11.380 -21.410 -0.571 1.00 0.00 O ATOM 0 H SER A 97 9.672 -20.277 0.719 1.00 0.00 H new ATOM 0 HA SER A 97 9.539 -20.072 -2.069 1.00 0.00 H new ATOM 0 HB2 SER A 97 9.709 -22.595 -0.368 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.287 -22.397 -2.010 1.00 0.00 H new ATOM 0 HG SER A 97 11.987 -22.169 -0.446 1.00 0.00 H new ATOM 1262 N SER A 98 6.976 -21.592 -0.681 1.00 0.00 N ATOM 1263 CA SER A 98 5.653 -22.141 -0.936 1.00 0.00 C ATOM 1264 C SER A 98 4.645 -21.026 -1.217 1.00 0.00 C ATOM 1265 O SER A 98 3.486 -21.287 -1.534 1.00 0.00 O ATOM 1266 CB SER A 98 5.201 -22.977 0.268 1.00 0.00 C ATOM 1267 OG SER A 98 4.014 -23.698 -0.011 1.00 0.00 O ATOM 0 H SER A 98 7.217 -21.517 0.307 1.00 0.00 H new ATOM 0 HA SER A 98 5.704 -22.779 -1.818 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.993 -23.673 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 98 5.037 -22.323 1.124 1.00 0.00 H new ATOM 0 HG SER A 98 3.489 -23.216 -0.683 1.00 0.00 H new ATOM 1273 N GLY A 99 5.098 -19.782 -1.102 1.00 0.00 N ATOM 1274 CA GLY A 99 4.222 -18.649 -1.327 1.00 0.00 C ATOM 1275 C GLY A 99 3.455 -18.288 -0.076 1.00 0.00 C ATOM 1276 O GLY A 99 2.331 -17.789 -0.137 1.00 0.00 O ATOM 0 H GLY A 99 6.058 -19.539 -0.857 1.00 0.00 H new ATOM 0 HA2 GLY A 99 4.810 -17.792 -1.655 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.523 -18.882 -2.130 1.00 0.00 H new ATOM 1280 N VAL A 100 4.073 -18.553 1.062 1.00 0.00 N ATOM 1281 CA VAL A 100 3.464 -18.296 2.349 1.00 0.00 C ATOM 1282 C VAL A 100 4.115 -17.075 2.981 1.00 0.00 C ATOM 1283 O VAL A 100 5.326 -16.907 2.876 1.00 0.00 O ATOM 1284 CB VAL A 100 3.666 -19.509 3.269 1.00 0.00 C ATOM 1285 CG1 VAL A 100 2.871 -19.360 4.555 1.00 0.00 C ATOM 1286 CG2 VAL A 100 3.301 -20.792 2.540 1.00 0.00 C ATOM 0 H VAL A 100 5.010 -18.952 1.116 1.00 0.00 H new ATOM 0 HA VAL A 100 2.397 -18.117 2.213 1.00 0.00 H new ATOM 0 HB VAL A 100 4.720 -19.561 3.542 1.00 0.00 H new ATOM 0 HG11 VAL A 100 3.033 -20.233 5.186 1.00 0.00 H new ATOM 0 HG12 VAL A 100 3.198 -18.464 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.810 -19.275 4.319 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.449 -21.643 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 100 2.256 -20.750 2.231 1.00 0.00 H new ATOM 0 HG23 VAL A 100 3.935 -20.904 1.661 1.00 0.00 H new ATOM 1296 N LEU A 101 3.323 -16.208 3.604 1.00 0.00 N ATOM 1297 CA LEU A 101 3.867 -15.048 4.280 1.00 0.00 C ATOM 1298 C LEU A 101 4.792 -15.440 5.407 1.00 0.00 C ATOM 1299 O LEU A 101 4.410 -16.179 6.315 1.00 0.00 O ATOM 1300 CB LEU A 101 2.757 -14.170 4.822 1.00 0.00 C ATOM 1301 CG LEU A 101 2.474 -12.947 3.976 1.00 0.00 C ATOM 1302 CD1 LEU A 101 1.446 -12.066 4.651 1.00 0.00 C ATOM 1303 CD2 LEU A 101 3.755 -12.178 3.721 1.00 0.00 C ATOM 0 H LEU A 101 2.307 -16.291 3.652 1.00 0.00 H new ATOM 0 HA LEU A 101 4.441 -14.490 3.541 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.846 -14.762 4.903 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.020 -13.849 5.830 1.00 0.00 H new ATOM 0 HG LEU A 101 2.070 -13.270 3.017 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.253 -11.191 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 101 0.520 -12.625 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 101 1.823 -11.746 5.623 1.00 0.00 H new ATOM 0 HD21 LEU A 101 3.538 -11.301 3.111 1.00 0.00 H new ATOM 0 HD22 LEU A 101 4.185 -11.862 4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 101 4.465 -12.817 3.196 1.00 0.00 H new ATOM 1315 N THR A 102 6.007 -14.934 5.337 1.00 0.00 N ATOM 1316 CA THR A 102 6.999 -15.181 6.368 1.00 0.00 C ATOM 1317 C THR A 102 7.335 -13.890 7.088 1.00 0.00 C ATOM 1318 O THR A 102 7.488 -13.870 8.310 1.00 0.00 O ATOM 1319 CB THR A 102 8.280 -15.798 5.777 1.00 0.00 C ATOM 1320 OG1 THR A 102 8.969 -14.837 4.962 1.00 0.00 O ATOM 1321 CG2 THR A 102 7.922 -16.988 4.923 1.00 0.00 C ATOM 0 H THR A 102 6.334 -14.345 4.571 1.00 0.00 H new ATOM 0 HA THR A 102 6.575 -15.892 7.077 1.00 0.00 H new ATOM 0 HB THR A 102 8.926 -16.106 6.599 1.00 0.00 H new ATOM 0 HG1 THR A 102 8.323 -14.367 4.394 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.830 -17.423 4.506 1.00 0.00 H new ATOM 0 HG22 THR A 102 7.410 -17.733 5.533 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.267 -16.670 4.112 1.00 0.00 H new ATOM 1329 N ASN A 103 7.426 -12.811 6.323 1.00 0.00 N ATOM 1330 CA ASN A 103 7.691 -11.486 6.893 1.00 0.00 C ATOM 1331 C ASN A 103 6.811 -10.424 6.265 1.00 0.00 C ATOM 1332 O ASN A 103 6.361 -10.551 5.126 1.00 0.00 O ATOM 1333 CB ASN A 103 9.140 -11.032 6.683 1.00 0.00 C ATOM 1334 CG ASN A 103 10.174 -11.708 7.569 1.00 0.00 C ATOM 1335 OD1 ASN A 103 10.037 -12.860 7.970 1.00 0.00 O ATOM 1336 ND2 ASN A 103 11.243 -10.982 7.866 1.00 0.00 N ATOM 0 H ASN A 103 7.321 -12.821 5.308 1.00 0.00 H new ATOM 0 HA ASN A 103 7.483 -11.592 7.958 1.00 0.00 H new ATOM 0 HB2 ASN A 103 9.410 -11.207 5.642 1.00 0.00 H new ATOM 0 HB3 ASN A 103 9.193 -9.956 6.849 1.00 0.00 H new ATOM 0 HD21 ASN A 103 11.984 -11.378 8.445 1.00 0.00 H new ATOM 0 HD22 ASN A 103 11.325 -10.027 7.516 1.00 0.00 H new ATOM 1343 N ILE A 104 6.593 -9.370 7.027 1.00 0.00 N ATOM 1344 CA ILE A 104 5.986 -8.149 6.523 1.00 0.00 C ATOM 1345 C ILE A 104 7.001 -7.030 6.706 1.00 0.00 C ATOM 1346 O ILE A 104 7.051 -6.405 7.767 1.00 0.00 O ATOM 1347 CB ILE A 104 4.706 -7.739 7.299 1.00 0.00 C ATOM 1348 CG1 ILE A 104 3.887 -8.950 7.776 1.00 0.00 C ATOM 1349 CG2 ILE A 104 3.849 -6.810 6.445 1.00 0.00 C ATOM 1350 CD1 ILE A 104 3.159 -9.707 6.689 1.00 0.00 C ATOM 0 H ILE A 104 6.832 -9.334 8.018 1.00 0.00 H new ATOM 0 HA ILE A 104 5.707 -8.321 5.483 1.00 0.00 H new ATOM 0 HB ILE A 104 5.028 -7.210 8.196 1.00 0.00 H new ATOM 0 HG12 ILE A 104 4.556 -9.640 8.291 1.00 0.00 H new ATOM 0 HG13 ILE A 104 3.157 -8.608 8.509 1.00 0.00 H new ATOM 0 HG21 ILE A 104 2.954 -6.529 6.999 1.00 0.00 H new ATOM 0 HG22 ILE A 104 4.419 -5.914 6.198 1.00 0.00 H new ATOM 0 HG23 ILE A 104 3.561 -7.322 5.527 1.00 0.00 H new ATOM 0 HD11 ILE A 104 2.613 -10.541 7.130 1.00 0.00 H new ATOM 0 HD12 ILE A 104 2.459 -9.039 6.187 1.00 0.00 H new ATOM 0 HD13 ILE A 104 3.880 -10.088 5.965 1.00 0.00 H new ATOM 1362 N ASP A 105 7.811 -6.775 5.694 1.00 0.00 N ATOM 1363 CA ASP A 105 8.886 -5.809 5.818 1.00 0.00 C ATOM 1364 C ASP A 105 8.395 -4.405 5.499 1.00 0.00 C ATOM 1365 O ASP A 105 8.353 -4.002 4.343 1.00 0.00 O ATOM 1366 CB ASP A 105 10.040 -6.181 4.879 1.00 0.00 C ATOM 1367 CG ASP A 105 10.783 -7.436 5.305 1.00 0.00 C ATOM 1368 OD1 ASP A 105 11.681 -7.335 6.169 1.00 0.00 O ATOM 1369 OD2 ASP A 105 10.491 -8.524 4.763 1.00 0.00 O ATOM 0 H ASP A 105 7.745 -7.222 4.780 1.00 0.00 H new ATOM 0 HA ASP A 105 9.240 -5.825 6.849 1.00 0.00 H new ATOM 0 HB2 ASP A 105 9.648 -6.324 3.872 1.00 0.00 H new ATOM 0 HB3 ASP A 105 10.743 -5.349 4.832 1.00 0.00 H new ATOM 1374 N ASN A 106 8.038 -3.649 6.521 1.00 0.00 N ATOM 1375 CA ASN A 106 7.604 -2.284 6.316 1.00 0.00 C ATOM 1376 C ASN A 106 8.751 -1.336 6.605 1.00 0.00 C ATOM 1377 O ASN A 106 9.088 -1.047 7.752 1.00 0.00 O ATOM 1378 CB ASN A 106 6.371 -1.966 7.165 1.00 0.00 C ATOM 1379 CG ASN A 106 6.511 -2.356 8.627 1.00 0.00 C ATOM 1380 OD1 ASN A 106 6.895 -1.546 9.469 1.00 0.00 O ATOM 1381 ND2 ASN A 106 6.196 -3.604 8.938 1.00 0.00 N ATOM 0 H ASN A 106 8.040 -3.956 7.494 1.00 0.00 H new ATOM 0 HA ASN A 106 7.309 -2.155 5.275 1.00 0.00 H new ATOM 0 HB2 ASN A 106 6.165 -0.897 7.103 1.00 0.00 H new ATOM 0 HB3 ASN A 106 5.509 -2.482 6.743 1.00 0.00 H new ATOM 0 HD21 ASN A 106 6.268 -3.923 9.904 1.00 0.00 H new ATOM 0 HD22 ASN A 106 5.881 -4.247 8.211 1.00 0.00 H new ATOM 1388 N LYS A 107 9.363 -0.879 5.531 1.00 0.00 N ATOM 1389 CA LYS A 107 10.581 -0.096 5.603 1.00 0.00 C ATOM 1390 C LYS A 107 10.538 1.077 4.646 1.00 0.00 C ATOM 1391 O LYS A 107 9.844 1.043 3.630 1.00 0.00 O ATOM 1392 CB LYS A 107 11.767 -0.999 5.280 1.00 0.00 C ATOM 1393 CG LYS A 107 11.655 -2.302 6.012 1.00 0.00 C ATOM 1394 CD LYS A 107 12.909 -3.150 5.941 1.00 0.00 C ATOM 1395 CE LYS A 107 12.691 -4.468 6.670 1.00 0.00 C ATOM 1396 NZ LYS A 107 13.786 -5.439 6.431 1.00 0.00 N ATOM 0 H LYS A 107 9.029 -1.040 4.581 1.00 0.00 H new ATOM 0 HA LYS A 107 10.684 0.307 6.610 1.00 0.00 H new ATOM 0 HB2 LYS A 107 11.810 -1.182 4.206 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.696 -0.500 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 107 11.421 -2.102 7.058 1.00 0.00 H new ATOM 0 HG3 LYS A 107 10.820 -2.869 5.601 1.00 0.00 H new ATOM 0 HD2 LYS A 107 13.170 -3.340 4.900 1.00 0.00 H new ATOM 0 HD3 LYS A 107 13.746 -2.613 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 107 12.606 -4.278 7.740 1.00 0.00 H new ATOM 0 HE3 LYS A 107 11.746 -4.905 6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 13.383 -6.383 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 14.335 -5.145 5.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 14.409 -5.471 7.263 1.00 0.00 H new