USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 675 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 21 THR OG1 : rot -109:sc= 0.312 USER MOD Single : A 22 LYS NZ :NH3+ 168:sc=-0.00319 (180deg=-0.0818) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0028) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN :FLIP amide:sc=-0.00853 F(o=-1.7,f=-0.0085) USER MOD Single : A 38 TYR OH : rot 165:sc= -0.0204 USER MOD Single : A 46 LYS NZ :NH3+ 162:sc=-0.00929 (180deg=-0.159) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -154:sc= -0.262 (180deg=-1.36) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc=0.000363 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0.0441 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.116 USER MOD Single : A 68 ASN : amide:sc= -0.331 K(o=-0.33,f=-0.98) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 32:sc= 0.0845 USER MOD Single : A 77 ASN : amide:sc= -1.34 K(o=-1.3,f=-1.9) USER MOD Single : A 78 SER OG : rot 62:sc= 0.877 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 MET CE :methyl 153:sc= -0.133 (180deg=-0.346) USER MOD Single : A 81 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 36:sc= 0.96 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 HIS : no HE2:sc= -3.16 K(o=-3.2,f=-6.5!) USER MOD Single : A 105 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.25) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 256 N ALA A 17 14.915 -23.949 -21.010 1.00 0.44 N ATOM 257 CA ALA A 17 15.515 -23.007 -21.947 1.00 72.53 C ATOM 258 C ALA A 17 14.528 -21.909 -22.330 1.00 23.44 C ATOM 259 O ALA A 17 13.352 -22.176 -22.576 1.00 71.10 O ATOM 260 CB ALA A 17 16.002 -23.738 -23.190 1.00 34.42 C ATOM 0 HA ALA A 17 16.368 -22.538 -21.456 1.00 72.53 H new ATOM 0 HB1 ALA A 17 16.448 -23.023 -23.881 1.00 34.42 H new ATOM 0 HB2 ALA A 17 16.747 -24.481 -22.906 1.00 34.42 H new ATOM 0 HB3 ALA A 17 15.160 -24.234 -23.674 1.00 34.42 H new ATOM 266 N PHE A 18 15.015 -20.674 -22.377 1.00 14.55 N ATOM 267 CA PHE A 18 14.175 -19.534 -22.727 1.00 73.23 C ATOM 268 C PHE A 18 14.743 -18.790 -23.932 1.00 5.43 C ATOM 269 O PHE A 18 15.959 -18.660 -24.080 1.00 22.34 O ATOM 270 CB PHE A 18 14.049 -18.581 -21.537 1.00 54.01 C ATOM 271 CG PHE A 18 13.735 -19.276 -20.243 1.00 51.01 C ATOM 272 CD1 PHE A 18 14.736 -19.538 -19.322 1.00 30.50 C ATOM 273 CD2 PHE A 18 12.439 -19.667 -19.948 1.00 72.31 C ATOM 274 CE1 PHE A 18 14.451 -20.178 -18.130 1.00 13.50 C ATOM 275 CE2 PHE A 18 12.147 -20.306 -18.758 1.00 25.22 C ATOM 276 CZ PHE A 18 13.155 -20.563 -17.848 1.00 53.21 C ATOM 0 H PHE A 18 15.987 -20.437 -22.177 1.00 14.55 H new ATOM 0 HA PHE A 18 13.186 -19.910 -22.988 1.00 73.23 H new ATOM 0 HB2 PHE A 18 14.981 -18.027 -21.426 1.00 54.01 H new ATOM 0 HB3 PHE A 18 13.267 -17.851 -21.747 1.00 54.01 H new ATOM 0 HD1 PHE A 18 15.751 -19.239 -19.538 1.00 30.50 H new ATOM 0 HD2 PHE A 18 11.648 -19.470 -20.656 1.00 72.31 H new ATOM 0 HE1 PHE A 18 15.241 -20.377 -17.420 1.00 13.50 H new ATOM 0 HE2 PHE A 18 11.132 -20.604 -18.539 1.00 25.22 H new ATOM 0 HZ PHE A 18 12.930 -21.064 -16.918 1.00 53.21 H new ATOM 286 N THR A 19 13.855 -18.301 -24.792 1.00 30.42 N ATOM 287 CA THR A 19 14.267 -17.572 -25.985 1.00 33.34 C ATOM 288 C THR A 19 13.260 -16.483 -26.338 1.00 62.31 C ATOM 289 O THR A 19 12.098 -16.544 -25.937 1.00 32.40 O ATOM 290 CB THR A 19 14.430 -18.516 -27.191 1.00 41.43 C ATOM 291 OG1 THR A 19 14.593 -17.752 -28.392 1.00 1.04 O ATOM 292 CG2 THR A 19 13.225 -19.433 -27.328 1.00 33.42 C ATOM 0 H THR A 19 12.845 -18.397 -24.684 1.00 30.42 H new ATOM 0 HA THR A 19 15.230 -17.113 -25.760 1.00 33.34 H new ATOM 0 HB THR A 19 15.316 -19.129 -27.027 1.00 41.43 H new ATOM 0 HG1 THR A 19 14.698 -18.359 -29.154 1.00 1.04 H new ATOM 0 HG21 THR A 19 13.364 -20.090 -28.187 1.00 33.42 H new ATOM 0 HG22 THR A 19 13.120 -20.034 -26.424 1.00 33.42 H new ATOM 0 HG23 THR A 19 12.326 -18.834 -27.471 1.00 33.42 H new ATOM 300 N PHE A 20 13.714 -15.487 -27.092 1.00 34.21 N ATOM 301 CA PHE A 20 12.852 -14.384 -27.500 1.00 12.22 C ATOM 302 C PHE A 20 12.026 -14.763 -28.725 1.00 51.05 C ATOM 303 O PHE A 20 12.561 -15.243 -29.725 1.00 71.44 O ATOM 304 CB PHE A 20 13.689 -13.139 -27.800 1.00 43.13 C ATOM 305 CG PHE A 20 14.347 -12.551 -26.585 1.00 12.05 C ATOM 306 CD1 PHE A 20 13.584 -12.015 -25.559 1.00 45.55 C ATOM 307 CD2 PHE A 20 15.727 -12.534 -26.467 1.00 63.22 C ATOM 308 CE1 PHE A 20 14.186 -11.473 -24.439 1.00 43.02 C ATOM 309 CE2 PHE A 20 16.335 -11.995 -25.349 1.00 53.52 C ATOM 310 CZ PHE A 20 15.563 -11.462 -24.335 1.00 24.15 C ATOM 0 H PHE A 20 14.673 -15.421 -27.433 1.00 34.21 H new ATOM 0 HA PHE A 20 12.170 -14.166 -26.678 1.00 12.22 H new ATOM 0 HB2 PHE A 20 14.456 -13.394 -28.531 1.00 43.13 H new ATOM 0 HB3 PHE A 20 13.051 -12.384 -28.259 1.00 43.13 H new ATOM 0 HD1 PHE A 20 12.507 -12.021 -25.636 1.00 45.55 H new ATOM 0 HD2 PHE A 20 16.335 -12.947 -27.258 1.00 63.22 H new ATOM 0 HE1 PHE A 20 13.580 -11.059 -23.646 1.00 43.02 H new ATOM 0 HE2 PHE A 20 17.412 -11.991 -25.268 1.00 53.52 H new ATOM 0 HZ PHE A 20 16.036 -11.037 -23.462 1.00 24.15 H new ATOM 320 N THR A 21 10.717 -14.544 -28.641 1.00 23.21 N ATOM 321 CA THR A 21 9.816 -14.864 -29.741 1.00 2.22 C ATOM 322 C THR A 21 9.100 -13.616 -30.245 1.00 33.32 C ATOM 323 O THR A 21 8.849 -13.472 -31.442 1.00 33.54 O ATOM 324 CB THR A 21 8.767 -15.911 -29.321 1.00 51.53 C ATOM 325 OG1 THR A 21 7.793 -15.310 -28.461 1.00 14.11 O ATOM 326 CG2 THR A 21 9.426 -17.082 -28.609 1.00 71.34 C ATOM 0 H THR A 21 10.257 -14.146 -27.822 1.00 23.21 H new ATOM 0 HA THR A 21 10.429 -15.276 -30.543 1.00 2.22 H new ATOM 0 HB THR A 21 8.277 -16.283 -30.221 1.00 51.53 H new ATOM 0 HG1 THR A 21 7.915 -15.641 -27.547 1.00 14.11 H new ATOM 0 HG21 THR A 21 8.665 -17.808 -28.322 1.00 71.34 H new ATOM 0 HG22 THR A 21 10.146 -17.555 -29.277 1.00 71.34 H new ATOM 0 HG23 THR A 21 9.940 -16.723 -27.717 1.00 71.34 H new ATOM 334 N LYS A 22 8.773 -12.715 -29.325 1.00 32.12 N ATOM 335 CA LYS A 22 8.086 -11.478 -29.675 1.00 42.54 C ATOM 336 C LYS A 22 8.988 -10.270 -29.441 1.00 12.23 C ATOM 337 O LYS A 22 9.184 -9.842 -28.303 1.00 21.12 O ATOM 338 CB LYS A 22 6.801 -11.334 -28.858 1.00 34.13 C ATOM 339 CG LYS A 22 5.779 -10.403 -29.488 1.00 62.53 C ATOM 340 CD LYS A 22 5.080 -11.060 -30.667 1.00 40.41 C ATOM 341 CE LYS A 22 3.856 -11.845 -30.222 1.00 60.33 C ATOM 342 NZ LYS A 22 2.721 -10.949 -29.866 1.00 61.42 N ATOM 0 H LYS A 22 8.973 -12.819 -28.330 1.00 32.12 H new ATOM 0 HA LYS A 22 7.832 -11.521 -30.734 1.00 42.54 H new ATOM 0 HB2 LYS A 22 6.351 -12.318 -28.728 1.00 34.13 H new ATOM 0 HB3 LYS A 22 7.052 -10.964 -27.864 1.00 34.13 H new ATOM 0 HG2 LYS A 22 5.040 -10.113 -28.741 1.00 62.53 H new ATOM 0 HG3 LYS A 22 6.273 -9.489 -29.819 1.00 62.53 H new ATOM 0 HD2 LYS A 22 4.783 -10.297 -31.386 1.00 40.41 H new ATOM 0 HD3 LYS A 22 5.775 -11.726 -31.178 1.00 40.41 H new ATOM 0 HE2 LYS A 22 3.548 -12.521 -31.020 1.00 60.33 H new ATOM 0 HE3 LYS A 22 4.114 -12.463 -29.362 1.00 60.33 H new ATOM 0 HZ1 LYS A 22 1.852 -11.512 -29.765 1.00 61.42 H new ATOM 0 HZ2 LYS A 22 2.927 -10.468 -28.968 1.00 61.42 H new ATOM 0 HZ3 LYS A 22 2.589 -10.241 -30.616 1.00 61.42 H new ATOM 356 N ILE A 23 9.532 -9.724 -30.523 1.00 70.22 N ATOM 357 CA ILE A 23 10.411 -8.565 -30.434 1.00 62.11 C ATOM 358 C ILE A 23 9.718 -7.402 -29.732 1.00 62.14 C ATOM 359 O ILE A 23 8.575 -7.057 -30.031 1.00 34.00 O ATOM 360 CB ILE A 23 10.879 -8.104 -31.827 1.00 75.54 C ATOM 361 CG1 ILE A 23 11.563 -9.256 -32.566 1.00 73.35 C ATOM 362 CG2 ILE A 23 11.818 -6.914 -31.704 1.00 63.52 C ATOM 363 CD1 ILE A 23 12.750 -9.830 -31.825 1.00 12.22 C ATOM 0 H ILE A 23 9.379 -10.066 -31.472 1.00 70.22 H new ATOM 0 HA ILE A 23 11.280 -8.872 -29.852 1.00 62.11 H new ATOM 0 HB ILE A 23 10.007 -7.795 -32.403 1.00 75.54 H new ATOM 0 HG12 ILE A 23 10.835 -10.049 -32.739 1.00 73.35 H new ATOM 0 HG13 ILE A 23 11.891 -8.905 -33.545 1.00 73.35 H new ATOM 0 HG21 ILE A 23 12.140 -6.600 -32.697 1.00 63.52 H new ATOM 0 HG22 ILE A 23 11.299 -6.090 -31.214 1.00 63.52 H new ATOM 0 HG23 ILE A 23 12.689 -7.197 -31.113 1.00 63.52 H new ATOM 0 HD11 ILE A 23 13.185 -10.642 -32.408 1.00 12.22 H new ATOM 0 HD12 ILE A 23 13.497 -9.050 -31.675 1.00 12.22 H new ATOM 0 HD13 ILE A 23 12.425 -10.212 -30.857 1.00 12.22 H new ATOM 375 N PRO A 24 10.426 -6.781 -28.778 1.00 0.54 N ATOM 376 CA PRO A 24 9.900 -5.645 -28.014 1.00 75.14 C ATOM 377 C PRO A 24 9.761 -4.388 -28.867 1.00 35.34 C ATOM 378 O PRO A 24 10.578 -4.133 -29.750 1.00 41.50 O ATOM 379 CB PRO A 24 10.949 -5.436 -26.920 1.00 43.12 C ATOM 380 CG PRO A 24 12.209 -5.989 -27.493 1.00 14.23 C ATOM 381 CD PRO A 24 11.795 -7.138 -28.370 1.00 1.01 C ATOM 0 HA PRO A 24 8.899 -5.840 -27.630 1.00 75.14 H new ATOM 0 HB2 PRO A 24 11.057 -4.380 -26.672 1.00 43.12 H new ATOM 0 HB3 PRO A 24 10.671 -5.953 -26.001 1.00 43.12 H new ATOM 0 HG2 PRO A 24 12.742 -5.231 -28.068 1.00 14.23 H new ATOM 0 HG3 PRO A 24 12.883 -6.323 -26.704 1.00 14.23 H new ATOM 0 HD2 PRO A 24 12.456 -7.245 -29.230 1.00 1.01 H new ATOM 0 HD3 PRO A 24 11.819 -8.085 -27.830 1.00 1.01 H new ATOM 389 N ALA A 25 8.720 -3.607 -28.595 1.00 43.11 N ATOM 390 CA ALA A 25 8.476 -2.375 -29.335 1.00 64.14 C ATOM 391 C ALA A 25 7.491 -1.476 -28.596 1.00 23.20 C ATOM 392 O ALA A 25 6.424 -1.923 -28.178 1.00 55.32 O ATOM 393 CB ALA A 25 7.960 -2.692 -30.731 1.00 40.31 C ATOM 0 H ALA A 25 8.033 -3.806 -27.868 1.00 43.11 H new ATOM 0 HA ALA A 25 9.421 -1.839 -29.422 1.00 64.14 H new ATOM 0 HB1 ALA A 25 7.782 -1.763 -31.273 1.00 40.31 H new ATOM 0 HB2 ALA A 25 8.700 -3.288 -31.266 1.00 40.31 H new ATOM 0 HB3 ALA A 25 7.028 -3.253 -30.656 1.00 40.31 H new ATOM 399 N GLU A 26 7.858 -0.208 -28.438 1.00 21.23 N ATOM 400 CA GLU A 26 7.006 0.752 -27.747 1.00 55.32 C ATOM 401 C GLU A 26 5.840 1.181 -28.634 1.00 34.43 C ATOM 402 O GLU A 26 5.969 1.257 -29.856 1.00 53.01 O ATOM 403 CB GLU A 26 7.818 1.979 -27.327 1.00 30.25 C ATOM 404 CG GLU A 26 6.966 3.122 -26.801 1.00 43.22 C ATOM 405 CD GLU A 26 6.574 4.105 -27.888 1.00 22.43 C ATOM 406 OE1 GLU A 26 6.790 3.790 -29.077 1.00 4.31 O ATOM 407 OE2 GLU A 26 6.052 5.187 -27.549 1.00 50.12 O ATOM 0 H GLU A 26 8.739 0.178 -28.779 1.00 21.23 H new ATOM 0 HA GLU A 26 6.605 0.268 -26.856 1.00 55.32 H new ATOM 0 HB2 GLU A 26 8.532 1.686 -26.558 1.00 30.25 H new ATOM 0 HB3 GLU A 26 8.396 2.331 -28.181 1.00 30.25 H new ATOM 0 HG2 GLU A 26 6.065 2.717 -26.341 1.00 43.22 H new ATOM 0 HG3 GLU A 26 7.514 3.649 -26.020 1.00 43.22 H new ATOM 414 N THR A 27 4.700 1.459 -28.009 1.00 34.23 N ATOM 415 CA THR A 27 3.510 1.878 -28.739 1.00 43.40 C ATOM 416 C THR A 27 3.074 3.278 -28.321 1.00 74.12 C ATOM 417 O THR A 27 3.763 3.951 -27.554 1.00 12.23 O ATOM 418 CB THR A 27 2.341 0.901 -28.518 1.00 31.45 C ATOM 419 OG1 THR A 27 1.843 1.027 -27.181 1.00 12.30 O ATOM 420 CG2 THR A 27 2.781 -0.534 -28.766 1.00 73.23 C ATOM 0 H THR A 27 4.576 1.401 -26.998 1.00 34.23 H new ATOM 0 HA THR A 27 3.774 1.883 -29.797 1.00 43.40 H new ATOM 0 HB THR A 27 1.550 1.150 -29.225 1.00 31.45 H new ATOM 0 HG1 THR A 27 1.099 0.403 -27.049 1.00 12.30 H new ATOM 0 HG21 THR A 27 1.938 -1.206 -28.604 1.00 73.23 H new ATOM 0 HG22 THR A 27 3.133 -0.634 -29.793 1.00 73.23 H new ATOM 0 HG23 THR A 27 3.588 -0.791 -28.079 1.00 73.23 H new ATOM 428 N LEU A 28 1.925 3.711 -28.830 1.00 22.45 N ATOM 429 CA LEU A 28 1.396 5.032 -28.509 1.00 30.32 C ATOM 430 C LEU A 28 1.293 5.225 -26.999 1.00 54.13 C ATOM 431 O LEU A 28 1.467 6.333 -26.491 1.00 43.23 O ATOM 432 CB LEU A 28 0.022 5.223 -29.154 1.00 64.02 C ATOM 433 CG LEU A 28 -1.139 4.481 -28.493 1.00 33.42 C ATOM 434 CD1 LEU A 28 -2.471 5.017 -28.995 1.00 3.32 C ATOM 435 CD2 LEU A 28 -1.033 2.985 -28.752 1.00 71.12 C ATOM 0 H LEU A 28 1.343 3.167 -29.466 1.00 22.45 H new ATOM 0 HA LEU A 28 2.084 5.778 -28.906 1.00 30.32 H new ATOM 0 HB2 LEU A 28 -0.210 6.288 -29.159 1.00 64.02 H new ATOM 0 HB3 LEU A 28 0.084 4.905 -30.195 1.00 64.02 H new ATOM 0 HG LEU A 28 -1.086 4.648 -27.417 1.00 33.42 H new ATOM 0 HD11 LEU A 28 -3.286 4.476 -28.513 1.00 3.32 H new ATOM 0 HD12 LEU A 28 -2.549 6.078 -28.758 1.00 3.32 H new ATOM 0 HD13 LEU A 28 -2.534 4.881 -30.075 1.00 3.32 H new ATOM 0 HD21 LEU A 28 -1.868 2.473 -28.274 1.00 71.12 H new ATOM 0 HD22 LEU A 28 -1.060 2.799 -29.826 1.00 71.12 H new ATOM 0 HD23 LEU A 28 -0.095 2.610 -28.342 1.00 71.12 H new ATOM 447 N HIS A 29 1.009 4.139 -26.287 1.00 4.23 N ATOM 448 CA HIS A 29 0.885 4.189 -24.834 1.00 74.03 C ATOM 449 C HIS A 29 2.241 4.432 -24.180 1.00 45.55 C ATOM 450 O HIS A 29 2.326 5.017 -23.101 1.00 53.34 O ATOM 451 CB HIS A 29 0.278 2.888 -24.309 1.00 23.45 C ATOM 452 CG HIS A 29 -0.409 3.038 -22.986 1.00 51.34 C ATOM 453 ND1 HIS A 29 -1.780 3.007 -22.843 1.00 52.42 N ATOM 454 CD2 HIS A 29 0.094 3.220 -21.743 1.00 14.11 C ATOM 455 CE1 HIS A 29 -2.091 3.165 -21.569 1.00 52.51 C ATOM 456 NE2 HIS A 29 -0.972 3.296 -20.880 1.00 40.30 N ATOM 0 H HIS A 29 0.861 3.215 -26.692 1.00 4.23 H new ATOM 0 HA HIS A 29 0.226 5.019 -24.579 1.00 74.03 H new ATOM 0 HB2 HIS A 29 -0.437 2.510 -25.040 1.00 23.45 H new ATOM 0 HB3 HIS A 29 1.066 2.140 -24.217 1.00 23.45 H new ATOM 0 HD2 HIS A 29 1.139 3.292 -21.479 1.00 14.11 H new ATOM 0 HE1 HIS A 29 -3.090 3.184 -21.160 1.00 52.51 H new ATOM 0 HE2 HIS A 29 -0.909 3.432 -19.871 1.00 40.30 H new ATOM 464 N GLY A 30 3.302 3.979 -24.842 1.00 30.31 N ATOM 465 CA GLY A 30 4.640 4.156 -24.309 1.00 62.21 C ATOM 466 C GLY A 30 5.082 2.987 -23.451 1.00 11.01 C ATOM 467 O GLY A 30 5.817 3.163 -22.478 1.00 52.04 O ATOM 0 H GLY A 30 3.258 3.493 -25.738 1.00 30.31 H new ATOM 0 HA2 GLY A 30 5.342 4.284 -25.133 1.00 62.21 H new ATOM 0 HA3 GLY A 30 4.674 5.071 -23.717 1.00 62.21 H new ATOM 471 N THR A 31 4.632 1.788 -23.809 1.00 41.31 N ATOM 472 CA THR A 31 4.982 0.586 -23.063 1.00 45.32 C ATOM 473 C THR A 31 5.473 -0.516 -23.995 1.00 43.42 C ATOM 474 O THR A 31 4.993 -0.650 -25.121 1.00 31.33 O ATOM 475 CB THR A 31 3.784 0.060 -22.251 1.00 23.02 C ATOM 476 OG1 THR A 31 2.699 -0.258 -23.129 1.00 31.21 O ATOM 477 CG2 THR A 31 3.330 1.090 -21.227 1.00 61.14 C ATOM 0 H THR A 31 4.024 1.624 -24.611 1.00 41.31 H new ATOM 0 HA THR A 31 5.783 0.862 -22.377 1.00 45.32 H new ATOM 0 HB THR A 31 4.099 -0.840 -21.722 1.00 23.02 H new ATOM 0 HG1 THR A 31 1.942 -0.593 -22.605 1.00 31.21 H new ATOM 0 HG21 THR A 31 2.483 0.696 -20.666 1.00 61.14 H new ATOM 0 HG22 THR A 31 4.149 1.308 -20.542 1.00 61.14 H new ATOM 0 HG23 THR A 31 3.032 2.005 -21.739 1.00 61.14 H new ATOM 485 N VAL A 32 6.433 -1.303 -23.520 1.00 12.04 N ATOM 486 CA VAL A 32 6.988 -2.395 -24.310 1.00 74.22 C ATOM 487 C VAL A 32 6.681 -3.746 -23.673 1.00 52.21 C ATOM 488 O VAL A 32 6.777 -3.907 -22.456 1.00 34.50 O ATOM 489 CB VAL A 32 8.512 -2.252 -24.474 1.00 4.44 C ATOM 490 CG1 VAL A 32 9.215 -2.471 -23.143 1.00 3.54 C ATOM 491 CG2 VAL A 32 9.029 -3.222 -25.525 1.00 31.43 C ATOM 0 H VAL A 32 6.843 -1.204 -22.591 1.00 12.04 H new ATOM 0 HA VAL A 32 6.518 -2.344 -25.292 1.00 74.22 H new ATOM 0 HB VAL A 32 8.730 -1.238 -24.811 1.00 4.44 H new ATOM 0 HG11 VAL A 32 10.291 -2.366 -23.278 1.00 3.54 H new ATOM 0 HG12 VAL A 32 8.866 -1.732 -22.421 1.00 3.54 H new ATOM 0 HG13 VAL A 32 8.992 -3.472 -22.774 1.00 3.54 H new ATOM 0 HG21 VAL A 32 10.108 -3.107 -25.627 1.00 31.43 H new ATOM 0 HG22 VAL A 32 8.801 -4.244 -25.221 1.00 31.43 H new ATOM 0 HG23 VAL A 32 8.549 -3.012 -26.481 1.00 31.43 H new ATOM 501 N THR A 33 6.311 -4.716 -24.504 1.00 3.30 N ATOM 502 CA THR A 33 5.990 -6.053 -24.023 1.00 24.43 C ATOM 503 C THR A 33 7.089 -7.046 -24.385 1.00 31.23 C ATOM 504 O THR A 33 7.716 -6.937 -25.439 1.00 10.25 O ATOM 505 CB THR A 33 4.652 -6.552 -24.600 1.00 64.34 C ATOM 506 OG1 THR A 33 4.813 -6.898 -25.981 1.00 24.45 O ATOM 507 CG2 THR A 33 3.573 -5.489 -24.461 1.00 61.45 C ATOM 0 H THR A 33 6.226 -4.600 -25.514 1.00 3.30 H new ATOM 0 HA THR A 33 5.907 -5.987 -22.938 1.00 24.43 H new ATOM 0 HB THR A 33 4.345 -7.434 -24.038 1.00 64.34 H new ATOM 0 HG1 THR A 33 3.959 -7.216 -26.340 1.00 24.45 H new ATOM 0 HG21 THR A 33 2.637 -5.864 -24.875 1.00 61.45 H new ATOM 0 HG22 THR A 33 3.433 -5.249 -23.407 1.00 61.45 H new ATOM 0 HG23 THR A 33 3.875 -4.591 -25.001 1.00 61.45 H new ATOM 515 N VAL A 34 7.317 -8.016 -23.505 1.00 23.12 N ATOM 516 CA VAL A 34 8.339 -9.031 -23.733 1.00 52.15 C ATOM 517 C VAL A 34 7.784 -10.432 -23.499 1.00 43.50 C ATOM 518 O VAL A 34 7.277 -10.736 -22.420 1.00 4.11 O ATOM 519 CB VAL A 34 9.560 -8.814 -22.820 1.00 34.44 C ATOM 520 CG1 VAL A 34 9.134 -8.780 -21.360 1.00 3.34 C ATOM 521 CG2 VAL A 34 10.600 -9.899 -23.055 1.00 32.12 C ATOM 0 H VAL A 34 6.808 -8.120 -22.627 1.00 23.12 H new ATOM 0 HA VAL A 34 8.652 -8.937 -24.773 1.00 52.15 H new ATOM 0 HB VAL A 34 10.010 -7.852 -23.066 1.00 34.44 H new ATOM 0 HG11 VAL A 34 10.009 -8.626 -20.729 1.00 3.34 H new ATOM 0 HG12 VAL A 34 8.428 -7.964 -21.206 1.00 3.34 H new ATOM 0 HG13 VAL A 34 8.659 -9.725 -21.097 1.00 3.34 H new ATOM 0 HG21 VAL A 34 11.456 -9.730 -22.402 1.00 32.12 H new ATOM 0 HG22 VAL A 34 10.164 -10.874 -22.837 1.00 32.12 H new ATOM 0 HG23 VAL A 34 10.926 -9.871 -24.095 1.00 32.12 H new ATOM 531 N GLU A 35 7.885 -11.280 -24.517 1.00 71.14 N ATOM 532 CA GLU A 35 7.391 -12.649 -24.422 1.00 3.11 C ATOM 533 C GLU A 35 8.451 -13.643 -24.888 1.00 70.11 C ATOM 534 O GLU A 35 9.072 -13.460 -25.935 1.00 71.33 O ATOM 535 CB GLU A 35 6.119 -12.815 -25.255 1.00 33.01 C ATOM 536 CG GLU A 35 5.510 -14.204 -25.166 1.00 32.24 C ATOM 537 CD GLU A 35 5.938 -15.104 -26.309 1.00 10.50 C ATOM 538 OE1 GLU A 35 5.328 -15.012 -27.395 1.00 62.11 O ATOM 539 OE2 GLU A 35 6.882 -15.898 -26.118 1.00 32.30 O ATOM 0 H GLU A 35 8.304 -11.044 -25.416 1.00 71.14 H new ATOM 0 HA GLU A 35 7.161 -12.853 -23.376 1.00 3.11 H new ATOM 0 HB2 GLU A 35 5.382 -12.082 -24.927 1.00 33.01 H new ATOM 0 HB3 GLU A 35 6.346 -12.593 -26.298 1.00 33.01 H new ATOM 0 HG2 GLU A 35 5.798 -14.663 -24.220 1.00 32.24 H new ATOM 0 HG3 GLU A 35 4.423 -14.120 -25.162 1.00 32.24 H new ATOM 546 N VAL A 36 8.653 -14.696 -24.102 1.00 74.12 N ATOM 547 CA VAL A 36 9.635 -15.721 -24.434 1.00 41.13 C ATOM 548 C VAL A 36 9.023 -17.115 -24.357 1.00 54.14 C ATOM 549 O VAL A 36 7.838 -17.267 -24.059 1.00 4.11 O ATOM 550 CB VAL A 36 10.854 -15.655 -23.495 1.00 30.20 C ATOM 551 CG1 VAL A 36 11.721 -14.451 -23.828 1.00 51.43 C ATOM 552 CG2 VAL A 36 10.405 -15.614 -22.042 1.00 51.42 C ATOM 0 H VAL A 36 8.149 -14.861 -23.231 1.00 74.12 H new ATOM 0 HA VAL A 36 9.961 -15.527 -25.456 1.00 41.13 H new ATOM 0 HB VAL A 36 11.452 -16.554 -23.641 1.00 30.20 H new ATOM 0 HG11 VAL A 36 12.577 -14.422 -23.154 1.00 51.43 H new ATOM 0 HG12 VAL A 36 12.072 -14.529 -24.857 1.00 51.43 H new ATOM 0 HG13 VAL A 36 11.136 -13.538 -23.712 1.00 51.43 H new ATOM 0 HG21 VAL A 36 11.279 -15.568 -21.392 1.00 51.42 H new ATOM 0 HG22 VAL A 36 9.784 -14.734 -21.878 1.00 51.42 H new ATOM 0 HG23 VAL A 36 9.830 -16.511 -21.813 1.00 51.42 H new ATOM 562 N GLN A 37 9.838 -18.129 -24.628 1.00 74.24 N ATOM 563 CA GLN A 37 9.375 -19.511 -24.589 1.00 63.50 C ATOM 564 C GLN A 37 9.748 -20.173 -23.266 1.00 50.41 C ATOM 565 O GLN A 37 10.876 -20.040 -22.790 1.00 71.04 O ATOM 566 CB GLN A 37 9.971 -20.304 -25.754 1.00 54.12 C ATOM 567 CG GLN A 37 9.089 -20.319 -26.993 1.00 21.33 C ATOM 568 CD GLN A 37 9.783 -20.929 -28.195 1.00 53.41 C ATOM 569 OE1 GLN A 37 10.636 -20.146 -28.846 1.00 4.33 O flip ATOM 570 NE2 GLN A 37 9.554 -22.090 -28.536 1.00 72.40 N flip ATOM 0 H GLN A 37 10.821 -18.020 -24.877 1.00 74.24 H new ATOM 0 HA GLN A 37 8.289 -19.506 -24.679 1.00 63.50 H new ATOM 0 HB2 GLN A 37 10.941 -19.879 -26.013 1.00 54.12 H new ATOM 0 HB3 GLN A 37 10.148 -21.330 -25.432 1.00 54.12 H new ATOM 0 HG2 GLN A 37 8.179 -20.880 -26.780 1.00 21.33 H new ATOM 0 HG3 GLN A 37 8.786 -19.299 -27.231 1.00 21.33 H new ATOM 0 HE21 GLN A 37 8.891 -22.656 -28.006 1.00 72.40 H new ATOM 0 HE22 GLN A 37 10.028 -22.486 -29.348 1.00 72.40 H new ATOM 579 N TYR A 38 8.794 -20.884 -22.677 1.00 34.13 N ATOM 580 CA TYR A 38 9.021 -21.563 -21.407 1.00 34.43 C ATOM 581 C TYR A 38 8.874 -23.074 -21.563 1.00 44.01 C ATOM 582 O TYR A 38 7.763 -23.602 -21.583 1.00 62.44 O ATOM 583 CB TYR A 38 8.042 -21.052 -20.349 1.00 13.14 C ATOM 584 CG TYR A 38 7.900 -19.547 -20.332 1.00 2.41 C ATOM 585 CD1 TYR A 38 8.871 -18.745 -19.745 1.00 2.51 C ATOM 586 CD2 TYR A 38 6.795 -18.926 -20.902 1.00 64.41 C ATOM 587 CE1 TYR A 38 8.746 -17.369 -19.727 1.00 10.24 C ATOM 588 CE2 TYR A 38 6.663 -17.551 -20.890 1.00 34.53 C ATOM 589 CZ TYR A 38 7.640 -16.777 -20.301 1.00 22.13 C ATOM 590 OH TYR A 38 7.511 -15.407 -20.285 1.00 71.21 O ATOM 0 H TYR A 38 7.856 -21.005 -23.058 1.00 34.13 H new ATOM 0 HA TYR A 38 10.040 -21.346 -21.086 1.00 34.43 H new ATOM 0 HB2 TYR A 38 7.064 -21.499 -20.525 1.00 13.14 H new ATOM 0 HB3 TYR A 38 8.374 -21.388 -19.367 1.00 13.14 H new ATOM 0 HD1 TYR A 38 9.738 -19.205 -19.295 1.00 2.51 H new ATOM 0 HD2 TYR A 38 6.026 -19.529 -21.362 1.00 64.41 H new ATOM 0 HE1 TYR A 38 9.510 -16.760 -19.266 1.00 10.24 H new ATOM 0 HE2 TYR A 38 5.799 -17.085 -21.340 1.00 34.53 H new ATOM 0 HH TYR A 38 6.819 -15.136 -20.924 1.00 71.21 H new ATOM 600 N ALA A 39 10.005 -23.763 -21.673 1.00 24.14 N ATOM 601 CA ALA A 39 10.005 -25.213 -21.824 1.00 40.23 C ATOM 602 C ALA A 39 10.183 -25.906 -20.478 1.00 4.33 C ATOM 603 O ALA A 39 10.927 -26.879 -20.363 1.00 42.11 O ATOM 604 CB ALA A 39 11.099 -25.643 -22.790 1.00 41.33 C ATOM 0 H ALA A 39 10.933 -23.340 -21.660 1.00 24.14 H new ATOM 0 HA ALA A 39 9.038 -25.511 -22.231 1.00 40.23 H new ATOM 0 HB1 ALA A 39 11.087 -26.728 -22.893 1.00 41.33 H new ATOM 0 HB2 ALA A 39 10.926 -25.184 -23.763 1.00 41.33 H new ATOM 0 HB3 ALA A 39 12.069 -25.325 -22.406 1.00 41.33 H new ATOM 675 N LYS A 46 6.178 -17.424 -11.494 1.00 42.31 N ATOM 676 CA LYS A 46 6.581 -16.348 -12.392 1.00 1.54 C ATOM 677 C LYS A 46 7.999 -16.571 -12.906 1.00 45.33 C ATOM 678 O LYS A 46 8.873 -17.027 -12.169 1.00 65.23 O ATOM 679 CB LYS A 46 6.494 -14.998 -11.675 1.00 33.33 C ATOM 680 CG LYS A 46 7.607 -14.772 -10.667 1.00 45.52 C ATOM 681 CD LYS A 46 8.747 -13.966 -11.268 1.00 2.11 C ATOM 682 CE LYS A 46 8.533 -12.472 -11.080 1.00 3.21 C ATOM 683 NZ LYS A 46 8.730 -12.057 -9.663 1.00 72.32 N ATOM 0 HA LYS A 46 5.901 -16.345 -13.244 1.00 1.54 H new ATOM 0 HB2 LYS A 46 6.519 -14.200 -12.417 1.00 33.33 H new ATOM 0 HB3 LYS A 46 5.533 -14.928 -11.165 1.00 33.33 H new ATOM 0 HG2 LYS A 46 7.210 -14.250 -9.796 1.00 45.52 H new ATOM 0 HG3 LYS A 46 7.984 -15.733 -10.318 1.00 45.52 H new ATOM 0 HD2 LYS A 46 9.687 -14.261 -10.803 1.00 2.11 H new ATOM 0 HD3 LYS A 46 8.833 -14.191 -12.331 1.00 2.11 H new ATOM 0 HE2 LYS A 46 9.225 -11.923 -11.719 1.00 3.21 H new ATOM 0 HE3 LYS A 46 7.525 -12.207 -11.399 1.00 3.21 H new ATOM 0 HZ1 LYS A 46 8.879 -11.029 -9.620 1.00 72.32 H new ATOM 0 HZ2 LYS A 46 7.888 -12.309 -9.107 1.00 72.32 H new ATOM 0 HZ3 LYS A 46 9.561 -12.544 -9.271 1.00 72.32 H new ATOM 697 N VAL A 47 8.222 -16.244 -14.176 1.00 33.53 N ATOM 698 CA VAL A 47 9.535 -16.406 -14.788 1.00 1.12 C ATOM 699 C VAL A 47 10.397 -15.166 -14.575 1.00 75.15 C ATOM 700 O VAL A 47 9.897 -14.052 -14.416 1.00 33.32 O ATOM 701 CB VAL A 47 9.420 -16.685 -16.298 1.00 70.02 C ATOM 702 CG1 VAL A 47 8.726 -18.016 -16.544 1.00 21.10 C ATOM 703 CG2 VAL A 47 8.680 -15.552 -16.994 1.00 24.40 C ATOM 0 H VAL A 47 7.510 -15.865 -14.800 1.00 33.53 H new ATOM 0 HA VAL A 47 10.007 -17.261 -14.304 1.00 1.12 H new ATOM 0 HB VAL A 47 10.425 -16.744 -16.717 1.00 70.02 H new ATOM 0 HG11 VAL A 47 8.654 -18.196 -17.617 1.00 21.10 H new ATOM 0 HG12 VAL A 47 9.301 -18.817 -16.079 1.00 21.10 H new ATOM 0 HG13 VAL A 47 7.725 -17.990 -16.112 1.00 21.10 H new ATOM 0 HG21 VAL A 47 8.608 -15.766 -18.060 1.00 24.40 H new ATOM 0 HG22 VAL A 47 7.679 -15.459 -16.574 1.00 24.40 H new ATOM 0 HG23 VAL A 47 9.223 -14.618 -16.847 1.00 24.40 H new ATOM 713 N PRO A 48 11.724 -15.361 -14.574 1.00 14.14 N ATOM 714 CA PRO A 48 12.684 -14.270 -14.382 1.00 54.20 C ATOM 715 C PRO A 48 12.726 -13.319 -15.574 1.00 22.24 C ATOM 716 O PRO A 48 12.856 -13.750 -16.719 1.00 34.20 O ATOM 717 CB PRO A 48 14.022 -14.997 -14.230 1.00 72.32 C ATOM 718 CG PRO A 48 13.834 -16.290 -14.947 1.00 51.42 C ATOM 719 CD PRO A 48 12.389 -16.661 -14.759 1.00 21.41 C ATOM 0 HA PRO A 48 12.425 -13.644 -13.528 1.00 54.20 H new ATOM 0 HB2 PRO A 48 14.838 -14.419 -14.663 1.00 72.32 H new ATOM 0 HB3 PRO A 48 14.268 -15.158 -13.180 1.00 72.32 H new ATOM 0 HG2 PRO A 48 14.076 -16.189 -16.005 1.00 51.42 H new ATOM 0 HG3 PRO A 48 14.491 -17.060 -14.542 1.00 51.42 H new ATOM 0 HD2 PRO A 48 11.995 -17.194 -15.624 1.00 21.41 H new ATOM 0 HD3 PRO A 48 12.250 -17.310 -13.894 1.00 21.41 H new ATOM 727 N ALA A 49 12.617 -12.024 -15.296 1.00 31.22 N ATOM 728 CA ALA A 49 12.645 -11.013 -16.345 1.00 42.20 C ATOM 729 C ALA A 49 13.056 -9.654 -15.787 1.00 73.31 C ATOM 730 O ALA A 49 12.497 -9.186 -14.796 1.00 34.44 O ATOM 731 CB ALA A 49 11.287 -10.918 -17.024 1.00 33.24 C ATOM 0 H ALA A 49 12.508 -11.651 -14.353 1.00 31.22 H new ATOM 0 HA ALA A 49 13.388 -11.313 -17.084 1.00 42.20 H new ATOM 0 HB1 ALA A 49 11.323 -10.159 -17.805 1.00 33.24 H new ATOM 0 HB2 ALA A 49 11.033 -11.882 -17.466 1.00 33.24 H new ATOM 0 HB3 ALA A 49 10.531 -10.646 -16.288 1.00 33.24 H new ATOM 737 N GLN A 50 14.035 -9.027 -16.430 1.00 64.20 N ATOM 738 CA GLN A 50 14.520 -7.722 -15.997 1.00 23.25 C ATOM 739 C GLN A 50 15.551 -7.172 -16.976 1.00 45.31 C ATOM 740 O GLN A 50 16.133 -7.917 -17.764 1.00 54.03 O ATOM 741 CB GLN A 50 15.130 -7.820 -14.597 1.00 63.42 C ATOM 742 CG GLN A 50 16.319 -8.764 -14.517 1.00 23.14 C ATOM 743 CD GLN A 50 17.250 -8.433 -13.367 1.00 21.23 C ATOM 744 OE1 GLN A 50 17.071 -8.918 -12.249 1.00 2.21 O ATOM 745 NE2 GLN A 50 18.252 -7.604 -13.635 1.00 52.13 N ATOM 0 H GLN A 50 14.508 -9.401 -17.253 1.00 64.20 H new ATOM 0 HA GLN A 50 13.672 -7.038 -15.969 1.00 23.25 H new ATOM 0 HB2 GLN A 50 15.443 -6.827 -14.276 1.00 63.42 H new ATOM 0 HB3 GLN A 50 14.363 -8.154 -13.898 1.00 63.42 H new ATOM 0 HG2 GLN A 50 15.959 -9.787 -14.405 1.00 23.14 H new ATOM 0 HG3 GLN A 50 16.875 -8.722 -15.453 1.00 23.14 H new ATOM 0 HE21 GLN A 50 18.363 -7.225 -14.576 1.00 52.13 H new ATOM 0 HE22 GLN A 50 18.911 -7.346 -12.900 1.00 52.13 H new ATOM 754 N MET A 51 15.773 -5.862 -16.921 1.00 31.42 N ATOM 755 CA MET A 51 16.735 -5.213 -17.803 1.00 4.42 C ATOM 756 C MET A 51 18.046 -4.940 -17.071 1.00 14.31 C ATOM 757 O MET A 51 18.097 -4.964 -15.842 1.00 2.44 O ATOM 758 CB MET A 51 16.159 -3.904 -18.346 1.00 50.31 C ATOM 759 CG MET A 51 15.805 -3.962 -19.823 1.00 61.42 C ATOM 760 SD MET A 51 14.444 -2.862 -20.255 1.00 74.04 S ATOM 761 CE MET A 51 13.108 -3.587 -19.307 1.00 42.01 C ATOM 0 H MET A 51 15.300 -5.230 -16.275 1.00 31.42 H new ATOM 0 HA MET A 51 16.938 -5.886 -18.636 1.00 4.42 H new ATOM 0 HB2 MET A 51 15.266 -3.646 -17.777 1.00 50.31 H new ATOM 0 HB3 MET A 51 16.882 -3.104 -18.185 1.00 50.31 H new ATOM 0 HG2 MET A 51 16.682 -3.697 -20.413 1.00 61.42 H new ATOM 0 HG3 MET A 51 15.539 -4.985 -20.089 1.00 61.42 H new ATOM 0 HE1 MET A 51 12.156 -3.354 -19.783 1.00 42.01 H new ATOM 0 HE2 MET A 51 13.237 -4.668 -19.265 1.00 42.01 H new ATOM 0 HE3 MET A 51 13.117 -3.181 -18.296 1.00 42.01 H new ATOM 771 N ALA A 52 19.102 -4.681 -17.835 1.00 1.05 N ATOM 772 CA ALA A 52 20.411 -4.400 -17.258 1.00 21.41 C ATOM 773 C ALA A 52 21.426 -4.057 -18.342 1.00 45.34 C ATOM 774 O ALA A 52 21.671 -4.849 -19.252 1.00 73.41 O ATOM 775 CB ALA A 52 20.893 -5.589 -16.439 1.00 13.32 C ATOM 0 H ALA A 52 19.077 -4.660 -18.854 1.00 1.05 H new ATOM 0 HA ALA A 52 20.313 -3.536 -16.601 1.00 21.41 H new ATOM 0 HB1 ALA A 52 21.872 -5.365 -16.014 1.00 13.32 H new ATOM 0 HB2 ALA A 52 20.185 -5.788 -15.635 1.00 13.32 H new ATOM 0 HB3 ALA A 52 20.968 -6.467 -17.081 1.00 13.32 H new ATOM 781 N VAL A 53 22.015 -2.869 -18.241 1.00 23.25 N ATOM 782 CA VAL A 53 23.005 -2.421 -19.213 1.00 13.40 C ATOM 783 C VAL A 53 24.255 -3.291 -19.166 1.00 62.34 C ATOM 784 O VAL A 53 24.873 -3.564 -20.196 1.00 32.12 O ATOM 785 CB VAL A 53 23.405 -0.953 -18.970 1.00 71.22 C ATOM 786 CG1 VAL A 53 24.354 -0.472 -20.057 1.00 52.50 C ATOM 787 CG2 VAL A 53 22.169 -0.069 -18.900 1.00 0.02 C ATOM 0 H VAL A 53 21.823 -2.200 -17.496 1.00 23.25 H new ATOM 0 HA VAL A 53 22.544 -2.507 -20.197 1.00 13.40 H new ATOM 0 HB VAL A 53 23.924 -0.889 -18.014 1.00 71.22 H new ATOM 0 HG11 VAL A 53 24.626 0.567 -19.869 1.00 52.50 H new ATOM 0 HG12 VAL A 53 25.253 -1.089 -20.054 1.00 52.50 H new ATOM 0 HG13 VAL A 53 23.864 -0.549 -21.028 1.00 52.50 H new ATOM 0 HG21 VAL A 53 22.470 0.964 -18.728 1.00 0.02 H new ATOM 0 HG22 VAL A 53 21.620 -0.135 -19.840 1.00 0.02 H new ATOM 0 HG23 VAL A 53 21.530 -0.402 -18.082 1.00 0.02 H new ATOM 797 N ASP A 54 24.623 -3.725 -17.966 1.00 33.22 N ATOM 798 CA ASP A 54 25.801 -4.565 -17.784 1.00 2.41 C ATOM 799 C ASP A 54 25.445 -5.847 -17.038 1.00 4.43 C ATOM 800 O ASP A 54 24.393 -5.937 -16.407 1.00 33.13 O ATOM 801 CB ASP A 54 26.885 -3.801 -17.022 1.00 43.52 C ATOM 802 CG ASP A 54 26.469 -3.465 -15.603 1.00 71.35 C ATOM 803 OD1 ASP A 54 26.116 -2.294 -15.349 1.00 64.32 O ATOM 804 OD2 ASP A 54 26.495 -4.374 -14.748 1.00 33.04 O ATOM 0 H ASP A 54 24.122 -3.509 -17.104 1.00 33.22 H new ATOM 0 HA ASP A 54 26.181 -4.834 -18.770 1.00 2.41 H new ATOM 0 HB2 ASP A 54 27.797 -4.397 -16.998 1.00 43.52 H new ATOM 0 HB3 ASP A 54 27.120 -2.880 -17.556 1.00 43.52 H new ATOM 809 N MET A 55 26.330 -6.836 -17.116 1.00 12.55 N ATOM 810 CA MET A 55 26.108 -8.113 -16.448 1.00 2.25 C ATOM 811 C MET A 55 26.949 -8.216 -15.179 1.00 41.00 C ATOM 812 O MET A 55 27.165 -9.308 -14.654 1.00 74.15 O ATOM 813 CB MET A 55 26.442 -9.270 -17.390 1.00 62.43 C ATOM 814 CG MET A 55 27.932 -9.441 -17.639 1.00 40.03 C ATOM 815 SD MET A 55 28.296 -10.020 -19.308 1.00 34.34 S ATOM 816 CE MET A 55 29.208 -8.624 -19.960 1.00 14.52 C ATOM 0 H MET A 55 27.206 -6.777 -17.635 1.00 12.55 H new ATOM 0 HA MET A 55 25.055 -8.172 -16.171 1.00 2.25 H new ATOM 0 HB2 MET A 55 26.043 -10.194 -16.972 1.00 62.43 H new ATOM 0 HB3 MET A 55 25.939 -9.108 -18.343 1.00 62.43 H new ATOM 0 HG2 MET A 55 28.436 -8.489 -17.471 1.00 40.03 H new ATOM 0 HG3 MET A 55 28.338 -10.149 -16.916 1.00 40.03 H new ATOM 0 HE1 MET A 55 29.504 -8.831 -20.989 1.00 14.52 H new ATOM 0 HE2 MET A 55 28.578 -7.735 -19.935 1.00 14.52 H new ATOM 0 HE3 MET A 55 30.098 -8.456 -19.354 1.00 14.52 H new ATOM 826 N GLN A 56 27.421 -7.073 -14.693 1.00 0.34 N ATOM 827 CA GLN A 56 28.239 -7.036 -13.486 1.00 70.20 C ATOM 828 C GLN A 56 27.366 -6.939 -12.239 1.00 70.13 C ATOM 829 O GLN A 56 27.498 -7.738 -11.311 1.00 43.13 O ATOM 830 CB GLN A 56 29.209 -5.854 -13.537 1.00 74.24 C ATOM 831 CG GLN A 56 30.261 -5.883 -12.441 1.00 44.11 C ATOM 832 CD GLN A 56 31.108 -4.626 -12.412 1.00 13.53 C ATOM 833 OE1 GLN A 56 30.852 -3.710 -11.629 1.00 44.32 O ATOM 834 NE2 GLN A 56 32.123 -4.575 -13.266 1.00 53.44 N ATOM 0 H GLN A 56 27.251 -6.160 -15.116 1.00 0.34 H new ATOM 0 HA GLN A 56 28.810 -7.963 -13.436 1.00 70.20 H new ATOM 0 HB2 GLN A 56 29.707 -5.845 -14.507 1.00 74.24 H new ATOM 0 HB3 GLN A 56 28.642 -4.926 -13.461 1.00 74.24 H new ATOM 0 HG2 GLN A 56 29.771 -6.009 -11.476 1.00 44.11 H new ATOM 0 HG3 GLN A 56 30.907 -6.749 -12.586 1.00 44.11 H new ATOM 0 HE21 GLN A 56 32.298 -5.357 -13.897 1.00 53.44 H new ATOM 0 HE22 GLN A 56 32.727 -3.754 -13.291 1.00 53.44 H new ATOM 843 N THR A 57 26.473 -5.955 -12.223 1.00 55.34 N ATOM 844 CA THR A 57 25.578 -5.753 -11.091 1.00 12.31 C ATOM 845 C THR A 57 24.147 -6.141 -11.444 1.00 71.44 C ATOM 846 O THR A 57 23.409 -6.662 -10.607 1.00 11.13 O ATOM 847 CB THR A 57 25.597 -4.288 -10.614 1.00 20.20 C ATOM 848 OG1 THR A 57 25.636 -3.406 -11.741 1.00 61.34 O ATOM 849 CG2 THR A 57 26.798 -4.027 -9.717 1.00 52.24 C ATOM 0 H THR A 57 26.350 -5.285 -12.982 1.00 55.34 H new ATOM 0 HA THR A 57 25.938 -6.395 -10.287 1.00 12.31 H new ATOM 0 HB THR A 57 24.688 -4.104 -10.041 1.00 20.20 H new ATOM 0 HG1 THR A 57 25.646 -2.477 -11.429 1.00 61.34 H new ATOM 0 HG21 THR A 57 26.790 -2.986 -9.392 1.00 52.24 H new ATOM 0 HG22 THR A 57 26.750 -4.679 -8.845 1.00 52.24 H new ATOM 0 HG23 THR A 57 27.716 -4.228 -10.270 1.00 52.24 H new ATOM 857 N LEU A 58 23.760 -5.886 -12.689 1.00 61.55 N ATOM 858 CA LEU A 58 22.417 -6.212 -13.155 1.00 75.21 C ATOM 859 C LEU A 58 21.360 -5.578 -12.256 1.00 70.20 C ATOM 860 O LEU A 58 20.630 -6.275 -11.550 1.00 2.13 O ATOM 861 CB LEU A 58 22.224 -7.729 -13.197 1.00 34.13 C ATOM 862 CG LEU A 58 22.924 -8.464 -14.340 1.00 41.33 C ATOM 863 CD1 LEU A 58 24.051 -9.334 -13.805 1.00 52.40 C ATOM 864 CD2 LEU A 58 21.927 -9.303 -15.125 1.00 73.03 C ATOM 0 H LEU A 58 24.358 -5.454 -13.394 1.00 61.55 H new ATOM 0 HA LEU A 58 22.301 -5.810 -14.161 1.00 75.21 H new ATOM 0 HB2 LEU A 58 22.577 -8.146 -12.254 1.00 34.13 H new ATOM 0 HB3 LEU A 58 21.156 -7.938 -13.258 1.00 34.13 H new ATOM 0 HG LEU A 58 23.354 -7.722 -15.013 1.00 41.33 H new ATOM 0 HD11 LEU A 58 24.537 -9.849 -14.633 1.00 52.40 H new ATOM 0 HD12 LEU A 58 24.779 -8.709 -13.289 1.00 52.40 H new ATOM 0 HD13 LEU A 58 23.645 -10.068 -13.109 1.00 52.40 H new ATOM 0 HD21 LEU A 58 22.443 -9.819 -15.935 1.00 73.03 H new ATOM 0 HD22 LEU A 58 21.467 -10.036 -14.462 1.00 73.03 H new ATOM 0 HD23 LEU A 58 21.155 -8.656 -15.541 1.00 73.03 H new ATOM 876 N THR A 59 21.282 -4.251 -12.288 1.00 75.42 N ATOM 877 CA THR A 59 20.314 -3.523 -11.478 1.00 35.10 C ATOM 878 C THR A 59 18.931 -3.548 -12.119 1.00 34.12 C ATOM 879 O THR A 59 18.786 -3.652 -13.337 1.00 63.51 O ATOM 880 CB THR A 59 20.744 -2.059 -11.269 1.00 51.15 C ATOM 881 OG1 THR A 59 21.339 -1.548 -12.467 1.00 41.14 O ATOM 882 CG2 THR A 59 21.731 -1.944 -10.118 1.00 10.33 C ATOM 0 H THR A 59 21.878 -3.659 -12.866 1.00 75.42 H new ATOM 0 HA THR A 59 20.272 -4.023 -10.510 1.00 35.10 H new ATOM 0 HB THR A 59 19.857 -1.474 -11.026 1.00 51.15 H new ATOM 0 HG1 THR A 59 21.608 -0.616 -12.327 1.00 41.14 H new ATOM 0 HG21 THR A 59 22.020 -0.901 -9.990 1.00 10.33 H new ATOM 0 HG22 THR A 59 21.265 -2.307 -9.202 1.00 10.33 H new ATOM 0 HG23 THR A 59 22.616 -2.542 -10.337 1.00 10.33 H new ATOM 890 N PRO A 60 17.888 -3.449 -11.281 1.00 74.43 N ATOM 891 CA PRO A 60 16.497 -3.456 -11.745 1.00 31.53 C ATOM 892 C PRO A 60 16.133 -2.186 -12.504 1.00 55.45 C ATOM 893 O PRO A 60 15.641 -1.220 -11.920 1.00 30.01 O ATOM 894 CB PRO A 60 15.691 -3.553 -10.447 1.00 20.21 C ATOM 895 CG PRO A 60 16.583 -2.974 -9.403 1.00 73.23 C ATOM 896 CD PRO A 60 17.986 -3.323 -9.818 1.00 14.35 C ATOM 0 HA PRO A 60 16.305 -4.270 -12.444 1.00 31.53 H new ATOM 0 HB2 PRO A 60 14.755 -2.999 -10.520 1.00 20.21 H new ATOM 0 HB3 PRO A 60 15.432 -4.587 -10.218 1.00 20.21 H new ATOM 0 HG2 PRO A 60 16.454 -1.894 -9.334 1.00 73.23 H new ATOM 0 HG3 PRO A 60 16.353 -3.386 -8.420 1.00 73.23 H new ATOM 0 HD2 PRO A 60 18.695 -2.548 -9.528 1.00 14.35 H new ATOM 0 HD3 PRO A 60 18.322 -4.251 -9.356 1.00 14.35 H new ATOM 904 N VAL A 61 16.376 -2.192 -13.811 1.00 62.32 N ATOM 905 CA VAL A 61 16.072 -1.040 -14.652 1.00 25.15 C ATOM 906 C VAL A 61 14.568 -0.814 -14.752 1.00 21.25 C ATOM 907 O VAL A 61 13.790 -1.765 -14.821 1.00 2.22 O ATOM 908 CB VAL A 61 16.650 -1.211 -16.069 1.00 61.40 C ATOM 909 CG1 VAL A 61 16.459 0.060 -16.881 1.00 52.51 C ATOM 910 CG2 VAL A 61 18.121 -1.595 -16.002 1.00 12.42 C ATOM 0 H VAL A 61 16.783 -2.983 -14.311 1.00 62.32 H new ATOM 0 HA VAL A 61 16.536 -0.173 -14.181 1.00 25.15 H new ATOM 0 HB VAL A 61 16.110 -2.016 -16.568 1.00 61.40 H new ATOM 0 HG11 VAL A 61 16.874 -0.080 -17.879 1.00 52.51 H new ATOM 0 HG12 VAL A 61 15.395 0.286 -16.958 1.00 52.51 H new ATOM 0 HG13 VAL A 61 16.971 0.887 -16.388 1.00 52.51 H new ATOM 0 HG21 VAL A 61 18.513 -1.712 -17.012 1.00 12.42 H new ATOM 0 HG22 VAL A 61 18.678 -0.814 -15.485 1.00 12.42 H new ATOM 0 HG23 VAL A 61 18.227 -2.535 -15.461 1.00 12.42 H new ATOM 920 N GLY A 62 14.164 0.453 -14.759 1.00 24.30 N ATOM 921 CA GLY A 62 12.754 0.781 -14.851 1.00 51.32 C ATOM 922 C GLY A 62 11.959 0.260 -13.671 1.00 32.13 C ATOM 923 O GLY A 62 12.495 0.100 -12.574 1.00 65.34 O ATOM 0 H GLY A 62 14.788 1.258 -14.703 1.00 24.30 H new ATOM 0 HA2 GLY A 62 12.639 1.863 -14.913 1.00 51.32 H new ATOM 0 HA3 GLY A 62 12.347 0.364 -15.772 1.00 51.32 H new ATOM 927 N ARG A 63 10.675 -0.004 -13.894 1.00 5.11 N ATOM 928 CA ARG A 63 9.804 -0.507 -12.839 1.00 23.51 C ATOM 929 C ARG A 63 8.805 -1.518 -13.395 1.00 24.22 C ATOM 930 O ARG A 63 8.360 -1.403 -14.537 1.00 53.23 O ATOM 931 CB ARG A 63 9.058 0.648 -12.170 1.00 10.15 C ATOM 932 CG ARG A 63 8.698 0.381 -10.717 1.00 73.54 C ATOM 933 CD ARG A 63 9.898 0.564 -9.803 1.00 5.25 C ATOM 934 NE ARG A 63 9.605 0.169 -8.428 1.00 33.43 N ATOM 935 CZ ARG A 63 10.402 0.436 -7.400 1.00 3.23 C ATOM 936 NH1 ARG A 63 11.536 1.097 -7.590 1.00 71.22 N ATOM 937 NH2 ARG A 63 10.066 0.043 -6.178 1.00 1.03 N ATOM 0 H ARG A 63 10.216 0.122 -14.796 1.00 5.11 H new ATOM 0 HA ARG A 63 10.426 -1.007 -12.096 1.00 23.51 H new ATOM 0 HB2 ARG A 63 9.673 1.546 -12.224 1.00 10.15 H new ATOM 0 HB3 ARG A 63 8.145 0.853 -12.730 1.00 10.15 H new ATOM 0 HG2 ARG A 63 7.899 1.055 -10.409 1.00 73.54 H new ATOM 0 HG3 ARG A 63 8.315 -0.634 -10.617 1.00 73.54 H new ATOM 0 HD2 ARG A 63 10.733 -0.026 -10.179 1.00 5.25 H new ATOM 0 HD3 ARG A 63 10.211 1.608 -9.821 1.00 5.25 H new ATOM 0 HE ARG A 63 8.740 -0.340 -8.247 1.00 33.43 H new ATOM 0 HH11 ARG A 63 11.798 1.402 -8.528 1.00 71.22 H new ATOM 0 HH12 ARG A 63 12.146 1.301 -6.799 1.00 71.22 H new ATOM 0 HH21 ARG A 63 9.194 -0.465 -6.027 1.00 1.03 H new ATOM 0 HH22 ARG A 63 10.679 0.249 -5.389 1.00 1.03 H new ATOM 951 N LEU A 64 8.458 -2.508 -12.580 1.00 64.41 N ATOM 952 CA LEU A 64 7.512 -3.540 -12.990 1.00 14.13 C ATOM 953 C LEU A 64 6.139 -2.938 -13.273 1.00 42.31 C ATOM 954 O LEU A 64 5.718 -1.989 -12.611 1.00 2.31 O ATOM 955 CB LEU A 64 7.396 -4.613 -11.906 1.00 62.30 C ATOM 956 CG LEU A 64 8.715 -5.168 -11.367 1.00 45.42 C ATOM 957 CD1 LEU A 64 8.458 -6.169 -10.252 1.00 71.32 C ATOM 958 CD2 LEU A 64 9.522 -5.809 -12.487 1.00 75.12 C ATOM 0 H LEU A 64 8.817 -2.618 -11.632 1.00 64.41 H new ATOM 0 HA LEU A 64 7.885 -3.997 -13.907 1.00 14.13 H new ATOM 0 HB2 LEU A 64 6.831 -4.198 -11.071 1.00 62.30 H new ATOM 0 HB3 LEU A 64 6.812 -5.442 -12.305 1.00 62.30 H new ATOM 0 HG LEU A 64 9.294 -4.340 -10.957 1.00 45.42 H new ATOM 0 HD11 LEU A 64 9.408 -6.553 -9.881 1.00 71.32 H new ATOM 0 HD12 LEU A 64 7.923 -5.678 -9.439 1.00 71.32 H new ATOM 0 HD13 LEU A 64 7.858 -6.994 -10.635 1.00 71.32 H new ATOM 0 HD21 LEU A 64 10.457 -6.198 -12.085 1.00 75.12 H new ATOM 0 HD22 LEU A 64 8.949 -6.625 -12.927 1.00 75.12 H new ATOM 0 HD23 LEU A 64 9.739 -5.063 -13.252 1.00 75.12 H new ATOM 970 N ILE A 65 5.446 -3.497 -14.259 1.00 52.52 N ATOM 971 CA ILE A 65 4.120 -3.015 -14.629 1.00 25.22 C ATOM 972 C ILE A 65 3.054 -4.068 -14.344 1.00 44.24 C ATOM 973 O ILE A 65 1.948 -3.746 -13.909 1.00 22.11 O ATOM 974 CB ILE A 65 4.058 -2.626 -16.118 1.00 33.44 C ATOM 975 CG1 ILE A 65 5.222 -1.701 -16.475 1.00 3.50 C ATOM 976 CG2 ILE A 65 2.727 -1.960 -16.435 1.00 44.04 C ATOM 977 CD1 ILE A 65 5.191 -0.379 -15.740 1.00 55.55 C ATOM 0 H ILE A 65 5.780 -4.284 -14.816 1.00 52.52 H new ATOM 0 HA ILE A 65 3.924 -2.130 -14.023 1.00 25.22 H new ATOM 0 HB ILE A 65 4.142 -3.531 -16.719 1.00 33.44 H new ATOM 0 HG12 ILE A 65 6.160 -2.209 -16.253 1.00 3.50 H new ATOM 0 HG13 ILE A 65 5.209 -1.511 -17.548 1.00 3.50 H new ATOM 0 HG21 ILE A 65 2.697 -1.690 -17.491 1.00 44.04 H new ATOM 0 HG22 ILE A 65 1.913 -2.650 -16.214 1.00 44.04 H new ATOM 0 HG23 ILE A 65 2.616 -1.062 -15.828 1.00 44.04 H new ATOM 0 HD11 ILE A 65 6.046 0.226 -16.043 1.00 55.55 H new ATOM 0 HD12 ILE A 65 4.269 0.150 -15.981 1.00 55.55 H new ATOM 0 HD13 ILE A 65 5.236 -0.559 -14.666 1.00 55.55 H new ATOM 989 N THR A 66 3.395 -5.329 -14.592 1.00 54.10 N ATOM 990 CA THR A 66 2.467 -6.430 -14.363 1.00 43.33 C ATOM 991 C THR A 66 2.271 -6.683 -12.873 1.00 0.31 C ATOM 992 O THR A 66 2.840 -5.984 -12.035 1.00 12.50 O ATOM 993 CB THR A 66 2.959 -7.727 -15.032 1.00 64.11 C ATOM 994 OG1 THR A 66 4.110 -7.456 -15.841 1.00 13.44 O ATOM 995 CG2 THR A 66 1.864 -8.343 -15.890 1.00 3.21 C ATOM 0 H THR A 66 4.306 -5.613 -14.951 1.00 54.10 H new ATOM 0 HA THR A 66 1.515 -6.139 -14.807 1.00 43.33 H new ATOM 0 HB THR A 66 3.226 -8.435 -14.247 1.00 64.11 H new ATOM 0 HG1 THR A 66 4.417 -8.286 -16.261 1.00 13.44 H new ATOM 0 HG21 THR A 66 2.235 -9.258 -16.352 1.00 3.21 H new ATOM 0 HG22 THR A 66 1.001 -8.576 -15.266 1.00 3.21 H new ATOM 0 HG23 THR A 66 1.570 -7.637 -16.667 1.00 3.21 H new ATOM 1003 N ALA A 67 1.463 -7.687 -12.549 1.00 40.12 N ATOM 1004 CA ALA A 67 1.194 -8.034 -11.159 1.00 42.52 C ATOM 1005 C ALA A 67 1.993 -9.262 -10.735 1.00 52.53 C ATOM 1006 O ALA A 67 2.778 -9.207 -9.790 1.00 43.42 O ATOM 1007 CB ALA A 67 -0.294 -8.273 -10.953 1.00 52.42 C ATOM 0 H ALA A 67 0.983 -8.275 -13.231 1.00 40.12 H new ATOM 0 HA ALA A 67 1.506 -7.197 -10.535 1.00 42.52 H new ATOM 0 HB1 ALA A 67 -0.480 -8.531 -9.911 1.00 52.42 H new ATOM 0 HB2 ALA A 67 -0.846 -7.368 -11.207 1.00 52.42 H new ATOM 0 HB3 ALA A 67 -0.623 -9.091 -11.594 1.00 52.42 H new ATOM 1013 N ASN A 68 1.786 -10.369 -11.441 1.00 14.25 N ATOM 1014 CA ASN A 68 2.486 -11.611 -11.136 1.00 34.44 C ATOM 1015 C ASN A 68 2.152 -12.690 -12.162 1.00 45.43 C ATOM 1016 O ASN A 68 1.432 -13.647 -11.882 1.00 35.41 O ATOM 1017 CB ASN A 68 2.118 -12.097 -9.732 1.00 51.00 C ATOM 1018 CG ASN A 68 2.730 -13.446 -9.408 1.00 5.11 C ATOM 1019 OD1 ASN A 68 3.879 -13.719 -9.758 1.00 12.22 O ATOM 1020 ND2 ASN A 68 1.964 -14.297 -8.736 1.00 63.42 N ATOM 0 H ASN A 68 1.140 -10.431 -12.228 1.00 14.25 H new ATOM 0 HA ASN A 68 3.557 -11.414 -11.177 1.00 34.44 H new ATOM 0 HB2 ASN A 68 2.452 -11.364 -8.998 1.00 51.00 H new ATOM 0 HB3 ASN A 68 1.033 -12.163 -9.646 1.00 51.00 H new ATOM 0 HD21 ASN A 68 2.322 -15.220 -8.489 1.00 63.42 H new ATOM 0 HD22 ASN A 68 1.018 -14.028 -8.466 1.00 63.42 H new ATOM 1027 N PRO A 69 2.690 -12.532 -13.381 1.00 72.12 N ATOM 1028 CA PRO A 69 2.464 -13.482 -14.474 1.00 65.34 C ATOM 1029 C PRO A 69 3.159 -14.818 -14.234 1.00 31.34 C ATOM 1030 O PRO A 69 4.317 -14.862 -13.820 1.00 5.54 O ATOM 1031 CB PRO A 69 3.071 -12.776 -15.689 1.00 41.33 C ATOM 1032 CG PRO A 69 4.095 -11.855 -15.120 1.00 33.10 C ATOM 1033 CD PRO A 69 3.559 -11.414 -13.786 1.00 21.52 C ATOM 0 HA PRO A 69 1.408 -13.727 -14.589 1.00 65.34 H new ATOM 0 HB2 PRO A 69 3.521 -13.491 -16.378 1.00 41.33 H new ATOM 0 HB3 PRO A 69 2.313 -12.228 -16.248 1.00 41.33 H new ATOM 0 HG2 PRO A 69 5.055 -12.360 -15.008 1.00 33.10 H new ATOM 0 HG3 PRO A 69 4.259 -11.001 -15.776 1.00 33.10 H new ATOM 0 HD2 PRO A 69 4.360 -11.247 -13.066 1.00 21.52 H new ATOM 0 HD3 PRO A 69 3.002 -10.480 -13.865 1.00 21.52 H new ATOM 1041 N VAL A 70 2.444 -15.908 -14.496 1.00 15.42 N ATOM 1042 CA VAL A 70 2.992 -17.246 -14.309 1.00 11.40 C ATOM 1043 C VAL A 70 2.489 -18.201 -15.385 1.00 51.14 C ATOM 1044 O VAL A 70 1.507 -17.917 -16.072 1.00 43.53 O ATOM 1045 CB VAL A 70 2.628 -17.813 -12.924 1.00 1.11 C ATOM 1046 CG1 VAL A 70 3.081 -16.866 -11.823 1.00 50.21 C ATOM 1047 CG2 VAL A 70 1.132 -18.074 -12.832 1.00 24.22 C ATOM 0 H VAL A 70 1.483 -15.890 -14.839 1.00 15.42 H new ATOM 0 HA VAL A 70 4.076 -17.157 -14.384 1.00 11.40 H new ATOM 0 HB VAL A 70 3.148 -18.762 -12.791 1.00 1.11 H new ATOM 0 HG11 VAL A 70 2.815 -17.283 -10.852 1.00 50.21 H new ATOM 0 HG12 VAL A 70 4.162 -16.735 -11.878 1.00 50.21 H new ATOM 0 HG13 VAL A 70 2.591 -15.900 -11.949 1.00 50.21 H new ATOM 0 HG21 VAL A 70 0.892 -18.474 -11.847 1.00 24.22 H new ATOM 0 HG22 VAL A 70 0.590 -17.141 -12.986 1.00 24.22 H new ATOM 0 HG23 VAL A 70 0.841 -18.794 -13.597 1.00 24.22 H new ATOM 1057 N ILE A 71 3.167 -19.335 -15.526 1.00 45.44 N ATOM 1058 CA ILE A 71 2.788 -20.333 -16.518 1.00 32.20 C ATOM 1059 C ILE A 71 1.940 -21.435 -15.892 1.00 13.02 C ATOM 1060 O ILE A 71 2.439 -22.258 -15.123 1.00 14.51 O ATOM 1061 CB ILE A 71 4.025 -20.967 -17.181 1.00 21.34 C ATOM 1062 CG1 ILE A 71 4.956 -19.879 -17.719 1.00 24.12 C ATOM 1063 CG2 ILE A 71 3.603 -21.911 -18.297 1.00 50.41 C ATOM 1064 CD1 ILE A 71 4.302 -18.974 -18.739 1.00 11.11 C ATOM 0 H ILE A 71 3.982 -19.585 -14.966 1.00 45.44 H new ATOM 0 HA ILE A 71 2.204 -19.815 -17.279 1.00 32.20 H new ATOM 0 HB ILE A 71 4.566 -21.543 -16.430 1.00 21.34 H new ATOM 0 HG12 ILE A 71 5.315 -19.274 -16.886 1.00 24.12 H new ATOM 0 HG13 ILE A 71 5.829 -20.350 -18.170 1.00 24.12 H new ATOM 0 HG21 ILE A 71 4.489 -22.351 -18.756 1.00 50.41 H new ATOM 0 HG22 ILE A 71 2.976 -22.702 -17.886 1.00 50.41 H new ATOM 0 HG23 ILE A 71 3.042 -21.357 -19.050 1.00 50.41 H new ATOM 0 HD11 ILE A 71 5.021 -18.227 -19.076 1.00 11.11 H new ATOM 0 HD12 ILE A 71 3.968 -19.567 -19.590 1.00 11.11 H new ATOM 0 HD13 ILE A 71 3.445 -18.475 -18.286 1.00 11.11 H new ATOM 1076 N THR A 72 0.653 -21.447 -16.227 1.00 42.02 N ATOM 1077 CA THR A 72 -0.265 -22.447 -15.698 1.00 72.43 C ATOM 1078 C THR A 72 -0.587 -23.507 -16.746 1.00 3.00 C ATOM 1079 O THR A 72 -0.756 -24.682 -16.421 1.00 43.24 O ATOM 1080 CB THR A 72 -1.579 -21.804 -15.215 1.00 62.31 C ATOM 1081 OG1 THR A 72 -2.523 -22.822 -14.864 1.00 64.51 O ATOM 1082 CG2 THR A 72 -2.170 -20.907 -16.292 1.00 12.02 C ATOM 0 H THR A 72 0.224 -20.775 -16.863 1.00 42.02 H new ATOM 0 HA THR A 72 0.234 -22.917 -14.851 1.00 72.43 H new ATOM 0 HB THR A 72 -1.359 -21.196 -14.338 1.00 62.31 H new ATOM 0 HG1 THR A 72 -3.355 -22.405 -14.557 1.00 64.51 H new ATOM 0 HG21 THR A 72 -3.097 -20.464 -15.928 1.00 12.02 H new ATOM 0 HG22 THR A 72 -1.461 -20.116 -16.536 1.00 12.02 H new ATOM 0 HG23 THR A 72 -2.376 -21.498 -17.185 1.00 12.02 H new ATOM 1090 N GLU A 73 -0.669 -23.084 -18.003 1.00 50.45 N ATOM 1091 CA GLU A 73 -0.971 -23.998 -19.098 1.00 54.03 C ATOM 1092 C GLU A 73 -0.028 -25.197 -19.082 1.00 61.21 C ATOM 1093 O GLU A 73 1.182 -25.046 -18.911 1.00 72.52 O ATOM 1094 CB GLU A 73 -0.868 -23.272 -20.441 1.00 74.35 C ATOM 1095 CG GLU A 73 -2.045 -22.356 -20.730 1.00 14.31 C ATOM 1096 CD GLU A 73 -3.345 -23.115 -20.914 1.00 21.12 C ATOM 1097 OE1 GLU A 73 -3.294 -24.272 -21.383 1.00 12.43 O ATOM 1098 OE2 GLU A 73 -4.412 -22.554 -20.589 1.00 40.34 O ATOM 0 H GLU A 73 -0.531 -22.115 -18.288 1.00 50.45 H new ATOM 0 HA GLU A 73 -1.991 -24.358 -18.965 1.00 54.03 H new ATOM 0 HB2 GLU A 73 0.051 -22.685 -20.458 1.00 74.35 H new ATOM 0 HB3 GLU A 73 -0.789 -24.011 -21.239 1.00 74.35 H new ATOM 0 HG2 GLU A 73 -2.157 -21.645 -19.911 1.00 14.31 H new ATOM 0 HG3 GLU A 73 -1.837 -21.776 -21.629 1.00 14.31 H new ATOM 1105 N SER A 74 -0.591 -26.388 -19.261 1.00 23.05 N ATOM 1106 CA SER A 74 0.199 -27.614 -19.264 1.00 11.12 C ATOM 1107 C SER A 74 0.898 -27.806 -20.606 1.00 5.10 C ATOM 1108 O SER A 74 2.031 -28.285 -20.667 1.00 5.32 O ATOM 1109 CB SER A 74 -0.692 -28.821 -18.963 1.00 54.52 C ATOM 1110 OG SER A 74 -0.147 -30.007 -19.513 1.00 23.22 O ATOM 0 H SER A 74 -1.591 -26.530 -19.406 1.00 23.05 H new ATOM 0 HA SER A 74 0.959 -27.529 -18.487 1.00 11.12 H new ATOM 0 HB2 SER A 74 -0.804 -28.934 -17.885 1.00 54.52 H new ATOM 0 HB3 SER A 74 -1.689 -28.652 -19.371 1.00 54.52 H new ATOM 0 HG SER A 74 -0.734 -30.764 -19.305 1.00 23.22 H new ATOM 1116 N THR A 75 0.215 -27.429 -21.682 1.00 13.30 N ATOM 1117 CA THR A 75 0.768 -27.560 -23.024 1.00 1.21 C ATOM 1118 C THR A 75 2.150 -26.922 -23.114 1.00 15.43 C ATOM 1119 O THR A 75 2.338 -25.771 -22.721 1.00 54.32 O ATOM 1120 CB THR A 75 -0.153 -26.914 -24.077 1.00 24.33 C ATOM 1121 OG1 THR A 75 -0.522 -25.595 -23.661 1.00 53.31 O ATOM 1122 CG2 THR A 75 -1.403 -27.754 -24.289 1.00 54.42 C ATOM 0 H THR A 75 -0.723 -27.030 -21.650 1.00 13.30 H new ATOM 0 HA THR A 75 0.849 -28.627 -23.229 1.00 1.21 H new ATOM 0 HB THR A 75 0.391 -26.857 -25.020 1.00 24.33 H new ATOM 0 HG1 THR A 75 0.210 -25.198 -23.144 1.00 53.31 H new ATOM 0 HG21 THR A 75 -2.038 -27.279 -25.036 1.00 54.42 H new ATOM 0 HG22 THR A 75 -1.119 -28.748 -24.634 1.00 54.42 H new ATOM 0 HG23 THR A 75 -1.949 -27.838 -23.349 1.00 54.42 H new ATOM 1130 N GLU A 76 3.112 -27.676 -23.633 1.00 65.44 N ATOM 1131 CA GLU A 76 4.477 -27.182 -23.775 1.00 21.31 C ATOM 1132 C GLU A 76 4.518 -25.946 -24.669 1.00 21.05 C ATOM 1133 O GLU A 76 3.490 -25.499 -25.174 1.00 51.35 O ATOM 1134 CB GLU A 76 5.381 -28.273 -24.353 1.00 72.31 C ATOM 1135 CG GLU A 76 5.050 -28.640 -25.790 1.00 52.51 C ATOM 1136 CD GLU A 76 5.637 -29.976 -26.202 1.00 1.43 C ATOM 1137 OE1 GLU A 76 6.873 -30.134 -26.109 1.00 15.25 O ATOM 1138 OE2 GLU A 76 4.862 -30.862 -26.617 1.00 63.30 O ATOM 0 H GLU A 76 2.973 -28.631 -23.962 1.00 65.44 H new ATOM 0 HA GLU A 76 4.841 -26.906 -22.785 1.00 21.31 H new ATOM 0 HB2 GLU A 76 6.417 -27.939 -24.302 1.00 72.31 H new ATOM 0 HB3 GLU A 76 5.302 -29.165 -23.732 1.00 72.31 H new ATOM 0 HG2 GLU A 76 3.967 -28.670 -25.913 1.00 52.51 H new ATOM 0 HG3 GLU A 76 5.425 -27.862 -26.455 1.00 52.51 H new ATOM 1145 N ASN A 77 5.715 -25.399 -24.857 1.00 14.20 N ATOM 1146 CA ASN A 77 5.891 -24.213 -25.688 1.00 74.41 C ATOM 1147 C ASN A 77 4.937 -23.102 -25.260 1.00 33.41 C ATOM 1148 O ASN A 77 4.403 -22.373 -26.095 1.00 55.31 O ATOM 1149 CB ASN A 77 5.661 -24.559 -27.161 1.00 13.12 C ATOM 1150 CG ASN A 77 6.377 -25.830 -27.575 1.00 54.00 C ATOM 1151 OD1 ASN A 77 7.401 -26.195 -26.998 1.00 41.21 O ATOM 1152 ND2 ASN A 77 5.839 -26.511 -28.580 1.00 53.02 N ATOM 0 H ASN A 77 6.577 -25.758 -24.446 1.00 14.20 H new ATOM 0 HA ASN A 77 6.914 -23.858 -25.560 1.00 74.41 H new ATOM 0 HB2 ASN A 77 4.592 -24.672 -27.342 1.00 13.12 H new ATOM 0 HB3 ASN A 77 6.004 -23.733 -27.783 1.00 13.12 H new ATOM 0 HD21 ASN A 77 6.276 -27.374 -28.903 1.00 53.02 H new ATOM 0 HD22 ASN A 77 4.989 -26.171 -29.029 1.00 53.02 H new ATOM 1159 N SER A 78 4.728 -22.980 -23.953 1.00 2.11 N ATOM 1160 CA SER A 78 3.836 -21.961 -23.413 1.00 51.54 C ATOM 1161 C SER A 78 4.445 -20.570 -23.565 1.00 51.14 C ATOM 1162 O SER A 78 5.665 -20.409 -23.556 1.00 5.00 O ATOM 1163 CB SER A 78 3.539 -22.241 -21.939 1.00 71.21 C ATOM 1164 OG SER A 78 2.440 -23.125 -21.799 1.00 61.15 O ATOM 0 H SER A 78 5.164 -23.574 -23.248 1.00 2.11 H new ATOM 0 HA SER A 78 2.904 -21.995 -23.977 1.00 51.54 H new ATOM 0 HB2 SER A 78 4.420 -22.672 -21.463 1.00 71.21 H new ATOM 0 HB3 SER A 78 3.325 -21.305 -21.424 1.00 71.21 H new ATOM 0 HG SER A 78 2.654 -23.983 -22.222 1.00 61.15 H new ATOM 1170 N LYS A 79 3.585 -19.567 -23.706 1.00 1.32 N ATOM 1171 CA LYS A 79 4.035 -18.188 -23.859 1.00 22.33 C ATOM 1172 C LYS A 79 3.258 -17.256 -22.934 1.00 61.53 C ATOM 1173 O LYS A 79 2.129 -17.553 -22.546 1.00 13.03 O ATOM 1174 CB LYS A 79 3.873 -17.735 -25.311 1.00 74.13 C ATOM 1175 CG LYS A 79 4.722 -18.524 -26.293 1.00 51.41 C ATOM 1176 CD LYS A 79 4.082 -18.573 -27.670 1.00 54.32 C ATOM 1177 CE LYS A 79 4.897 -19.420 -28.634 1.00 63.43 C ATOM 1178 NZ LYS A 79 4.331 -19.395 -30.011 1.00 51.33 N ATOM 0 H LYS A 79 2.572 -19.683 -23.718 1.00 1.32 H new ATOM 0 HA LYS A 79 5.090 -18.144 -23.587 1.00 22.33 H new ATOM 0 HB2 LYS A 79 2.825 -17.825 -25.596 1.00 74.13 H new ATOM 0 HB3 LYS A 79 4.134 -16.679 -25.385 1.00 74.13 H new ATOM 0 HG2 LYS A 79 5.711 -18.071 -26.366 1.00 51.41 H new ATOM 0 HG3 LYS A 79 4.863 -19.538 -25.920 1.00 51.41 H new ATOM 0 HD2 LYS A 79 3.074 -18.980 -27.589 1.00 54.32 H new ATOM 0 HD3 LYS A 79 3.987 -17.561 -28.064 1.00 54.32 H new ATOM 0 HE2 LYS A 79 5.924 -19.056 -28.657 1.00 63.43 H new ATOM 0 HE3 LYS A 79 4.931 -20.448 -28.274 1.00 63.43 H new ATOM 0 HZ1 LYS A 79 4.916 -19.985 -30.637 1.00 51.33 H new ATOM 0 HZ2 LYS A 79 3.359 -19.766 -29.994 1.00 51.33 H new ATOM 0 HZ3 LYS A 79 4.322 -18.417 -30.365 1.00 51.33 H new ATOM 1192 N MET A 80 3.870 -16.129 -22.588 1.00 1.15 N ATOM 1193 CA MET A 80 3.234 -15.153 -21.710 1.00 73.13 C ATOM 1194 C MET A 80 3.620 -13.732 -22.107 1.00 40.23 C ATOM 1195 O MET A 80 4.783 -13.453 -22.395 1.00 45.33 O ATOM 1196 CB MET A 80 3.625 -15.413 -20.254 1.00 41.33 C ATOM 1197 CG MET A 80 3.020 -14.419 -19.276 1.00 35.41 C ATOM 1198 SD MET A 80 1.217 -14.438 -19.294 1.00 34.12 S ATOM 1199 CE MET A 80 0.871 -15.278 -17.750 1.00 64.52 C ATOM 0 H MET A 80 4.805 -15.868 -22.902 1.00 1.15 H new ATOM 0 HA MET A 80 2.154 -15.259 -21.812 1.00 73.13 H new ATOM 0 HB2 MET A 80 3.312 -16.420 -19.977 1.00 41.33 H new ATOM 0 HB3 MET A 80 4.711 -15.381 -20.167 1.00 41.33 H new ATOM 0 HG2 MET A 80 3.372 -14.645 -18.269 1.00 35.41 H new ATOM 0 HG3 MET A 80 3.372 -13.416 -19.519 1.00 35.41 H new ATOM 0 HE1 MET A 80 -0.104 -14.965 -17.376 1.00 64.52 H new ATOM 0 HE2 MET A 80 0.868 -16.355 -17.915 1.00 64.52 H new ATOM 0 HE3 MET A 80 1.638 -15.025 -17.018 1.00 64.52 H new ATOM 1209 N MET A 81 2.637 -12.838 -22.120 1.00 53.25 N ATOM 1210 CA MET A 81 2.875 -11.445 -22.481 1.00 25.11 C ATOM 1211 C MET A 81 2.991 -10.573 -21.235 1.00 34.13 C ATOM 1212 O MET A 81 2.075 -10.523 -20.413 1.00 34.13 O ATOM 1213 CB MET A 81 1.749 -10.928 -23.377 1.00 52.43 C ATOM 1214 CG MET A 81 2.148 -9.732 -24.227 1.00 5.04 C ATOM 1215 SD MET A 81 0.746 -8.682 -24.652 1.00 13.03 S ATOM 1216 CE MET A 81 0.939 -8.561 -26.428 1.00 44.21 C ATOM 0 H MET A 81 1.668 -13.053 -21.885 1.00 53.25 H new ATOM 0 HA MET A 81 3.816 -11.393 -23.028 1.00 25.11 H new ATOM 0 HB2 MET A 81 1.418 -11.734 -24.032 1.00 52.43 H new ATOM 0 HB3 MET A 81 0.898 -10.653 -22.754 1.00 52.43 H new ATOM 0 HG2 MET A 81 2.890 -9.141 -23.690 1.00 5.04 H new ATOM 0 HG3 MET A 81 2.623 -10.084 -25.142 1.00 5.04 H new ATOM 0 HE1 MET A 81 0.143 -7.940 -26.839 1.00 44.21 H new ATOM 0 HE2 MET A 81 1.905 -8.112 -26.659 1.00 44.21 H new ATOM 0 HE3 MET A 81 0.887 -9.557 -26.868 1.00 44.21 H new ATOM 1226 N LEU A 82 4.121 -9.888 -21.100 1.00 54.21 N ATOM 1227 CA LEU A 82 4.356 -9.018 -19.953 1.00 11.02 C ATOM 1228 C LEU A 82 4.399 -7.554 -20.379 1.00 62.10 C ATOM 1229 O LEU A 82 4.464 -7.246 -21.569 1.00 33.34 O ATOM 1230 CB LEU A 82 5.666 -9.398 -19.260 1.00 35.13 C ATOM 1231 CG LEU A 82 5.564 -10.470 -18.174 1.00 12.23 C ATOM 1232 CD1 LEU A 82 5.572 -11.859 -18.792 1.00 71.13 C ATOM 1233 CD2 LEU A 82 6.700 -10.323 -17.172 1.00 32.41 C ATOM 0 H LEU A 82 4.889 -9.918 -21.771 1.00 54.21 H new ATOM 0 HA LEU A 82 3.530 -9.149 -19.254 1.00 11.02 H new ATOM 0 HB2 LEU A 82 6.368 -9.743 -20.019 1.00 35.13 H new ATOM 0 HB3 LEU A 82 6.093 -8.499 -18.816 1.00 35.13 H new ATOM 0 HG LEU A 82 4.620 -10.336 -17.646 1.00 12.23 H new ATOM 0 HD11 LEU A 82 5.499 -12.608 -18.004 1.00 71.13 H new ATOM 0 HD12 LEU A 82 4.724 -11.961 -19.469 1.00 71.13 H new ATOM 0 HD13 LEU A 82 6.499 -12.005 -19.347 1.00 71.13 H new ATOM 0 HD21 LEU A 82 6.612 -11.094 -16.406 1.00 32.41 H new ATOM 0 HD22 LEU A 82 7.655 -10.430 -17.686 1.00 32.41 H new ATOM 0 HD23 LEU A 82 6.648 -9.340 -16.705 1.00 32.41 H new ATOM 1245 N GLU A 83 4.365 -6.656 -19.399 1.00 63.41 N ATOM 1246 CA GLU A 83 4.401 -5.225 -19.674 1.00 15.21 C ATOM 1247 C GLU A 83 5.589 -4.566 -18.979 1.00 32.41 C ATOM 1248 O GLU A 83 5.796 -4.743 -17.778 1.00 21.34 O ATOM 1249 CB GLU A 83 3.098 -4.563 -19.218 1.00 63.20 C ATOM 1250 CG GLU A 83 1.879 -5.014 -20.005 1.00 11.53 C ATOM 1251 CD GLU A 83 1.213 -6.235 -19.401 1.00 4.12 C ATOM 1252 OE1 GLU A 83 1.541 -7.361 -19.830 1.00 22.24 O ATOM 1253 OE2 GLU A 83 0.365 -6.065 -18.500 1.00 44.13 O ATOM 0 H GLU A 83 4.313 -6.894 -18.409 1.00 63.41 H new ATOM 0 HA GLU A 83 4.512 -5.091 -20.750 1.00 15.21 H new ATOM 0 HB2 GLU A 83 2.940 -4.781 -18.162 1.00 63.20 H new ATOM 0 HB3 GLU A 83 3.199 -3.481 -19.308 1.00 63.20 H new ATOM 0 HG2 GLU A 83 1.159 -4.197 -20.051 1.00 11.53 H new ATOM 0 HG3 GLU A 83 2.175 -5.236 -21.030 1.00 11.53 H new ATOM 1260 N LEU A 84 6.367 -3.807 -19.742 1.00 73.04 N ATOM 1261 CA LEU A 84 7.536 -3.122 -19.202 1.00 34.05 C ATOM 1262 C LEU A 84 7.516 -1.641 -19.566 1.00 62.15 C ATOM 1263 O LEU A 84 7.077 -1.265 -20.653 1.00 62.15 O ATOM 1264 CB LEU A 84 8.819 -3.771 -19.724 1.00 15.12 C ATOM 1265 CG LEU A 84 8.826 -5.299 -19.772 1.00 23.34 C ATOM 1266 CD1 LEU A 84 10.154 -5.810 -20.308 1.00 45.24 C ATOM 1267 CD2 LEU A 84 8.549 -5.877 -18.392 1.00 20.44 C ATOM 0 H LEU A 84 6.209 -3.650 -20.737 1.00 73.04 H new ATOM 0 HA LEU A 84 7.508 -3.210 -18.116 1.00 34.05 H new ATOM 0 HB2 LEU A 84 9.010 -3.395 -20.729 1.00 15.12 H new ATOM 0 HB3 LEU A 84 9.649 -3.443 -19.098 1.00 15.12 H new ATOM 0 HG LEU A 84 8.035 -5.626 -20.447 1.00 23.34 H new ATOM 0 HD11 LEU A 84 10.140 -6.900 -20.335 1.00 45.24 H new ATOM 0 HD12 LEU A 84 10.313 -5.424 -21.315 1.00 45.24 H new ATOM 0 HD13 LEU A 84 10.962 -5.473 -19.659 1.00 45.24 H new ATOM 0 HD21 LEU A 84 8.558 -6.966 -18.445 1.00 20.44 H new ATOM 0 HD22 LEU A 84 9.318 -5.541 -17.696 1.00 20.44 H new ATOM 0 HD23 LEU A 84 7.573 -5.539 -18.045 1.00 20.44 H new ATOM 1279 N ASP A 85 7.997 -0.806 -18.652 1.00 54.42 N ATOM 1280 CA ASP A 85 8.038 0.634 -18.879 1.00 11.41 C ATOM 1281 C ASP A 85 9.347 1.228 -18.367 1.00 72.30 C ATOM 1282 O ASP A 85 9.382 1.948 -17.369 1.00 50.23 O ATOM 1283 CB ASP A 85 6.852 1.314 -18.193 1.00 3.55 C ATOM 1284 CG ASP A 85 6.459 2.613 -18.869 1.00 1.24 C ATOM 1285 OD1 ASP A 85 6.835 2.808 -20.044 1.00 0.44 O ATOM 1286 OD2 ASP A 85 5.775 3.434 -18.223 1.00 12.10 O ATOM 0 H ASP A 85 8.364 -1.101 -17.747 1.00 54.42 H new ATOM 0 HA ASP A 85 7.976 0.810 -19.953 1.00 11.41 H new ATOM 0 HB2 ASP A 85 5.999 0.636 -18.192 1.00 3.55 H new ATOM 0 HB3 ASP A 85 7.103 1.512 -17.151 1.00 3.55 H new ATOM 1291 N PRO A 86 10.450 0.918 -19.064 1.00 51.14 N ATOM 1292 CA PRO A 86 11.782 1.409 -18.698 1.00 72.10 C ATOM 1293 C PRO A 86 11.933 2.907 -18.936 1.00 41.43 C ATOM 1294 O PRO A 86 11.104 3.544 -19.587 1.00 31.22 O ATOM 1295 CB PRO A 86 12.716 0.624 -19.622 1.00 72.41 C ATOM 1296 CG PRO A 86 11.873 0.267 -20.798 1.00 24.21 C ATOM 1297 CD PRO A 86 10.482 0.065 -20.265 1.00 11.54 C ATOM 0 HA PRO A 86 11.991 1.267 -17.638 1.00 72.10 H new ATOM 0 HB2 PRO A 86 13.576 1.225 -19.919 1.00 72.41 H new ATOM 0 HB3 PRO A 86 13.105 -0.267 -19.128 1.00 72.41 H new ATOM 0 HG2 PRO A 86 11.893 1.059 -21.547 1.00 24.21 H new ATOM 0 HG3 PRO A 86 12.241 -0.638 -21.281 1.00 24.21 H new ATOM 0 HD2 PRO A 86 9.726 0.364 -20.991 1.00 11.54 H new ATOM 0 HD3 PRO A 86 10.293 -0.980 -20.021 1.00 11.54 H new ATOM 1305 N PRO A 87 13.017 3.486 -18.398 1.00 51.54 N ATOM 1306 CA PRO A 87 13.303 4.917 -18.540 1.00 54.25 C ATOM 1307 C PRO A 87 13.689 5.292 -19.967 1.00 3.30 C ATOM 1308 O PRO A 87 13.600 4.472 -20.881 1.00 42.30 O ATOM 1309 CB PRO A 87 14.482 5.139 -17.591 1.00 3.33 C ATOM 1310 CG PRO A 87 15.146 3.809 -17.493 1.00 34.11 C ATOM 1311 CD PRO A 87 14.047 2.789 -17.611 1.00 21.12 C ATOM 0 HA PRO A 87 12.432 5.531 -18.311 1.00 54.25 H new ATOM 0 HB2 PRO A 87 15.165 5.895 -17.979 1.00 3.33 H new ATOM 0 HB3 PRO A 87 14.144 5.486 -16.614 1.00 3.33 H new ATOM 0 HG2 PRO A 87 15.884 3.682 -18.285 1.00 34.11 H new ATOM 0 HG3 PRO A 87 15.675 3.705 -16.545 1.00 34.11 H new ATOM 0 HD2 PRO A 87 14.391 1.884 -18.112 1.00 21.12 H new ATOM 0 HD3 PRO A 87 13.671 2.489 -16.633 1.00 21.12 H new ATOM 1319 N PHE A 88 14.119 6.536 -20.151 1.00 4.21 N ATOM 1320 CA PHE A 88 14.518 7.020 -21.467 1.00 43.43 C ATOM 1321 C PHE A 88 15.952 6.607 -21.787 1.00 50.42 C ATOM 1322 O PHE A 88 16.854 6.771 -20.967 1.00 64.32 O ATOM 1323 CB PHE A 88 14.387 8.543 -21.535 1.00 41.33 C ATOM 1324 CG PHE A 88 15.391 9.270 -20.686 1.00 73.04 C ATOM 1325 CD1 PHE A 88 15.141 9.506 -19.344 1.00 50.22 C ATOM 1326 CD2 PHE A 88 16.584 9.717 -21.231 1.00 13.32 C ATOM 1327 CE1 PHE A 88 16.063 10.174 -18.560 1.00 54.20 C ATOM 1328 CE2 PHE A 88 17.509 10.385 -20.452 1.00 2.54 C ATOM 1329 CZ PHE A 88 17.248 10.615 -19.115 1.00 12.31 C ATOM 0 H PHE A 88 14.200 7.227 -19.405 1.00 4.21 H new ATOM 0 HA PHE A 88 13.856 6.572 -22.207 1.00 43.43 H new ATOM 0 HB2 PHE A 88 14.499 8.863 -22.571 1.00 41.33 H new ATOM 0 HB3 PHE A 88 13.383 8.828 -21.220 1.00 41.33 H new ATOM 0 HD1 PHE A 88 14.215 9.164 -18.905 1.00 50.22 H new ATOM 0 HD2 PHE A 88 16.793 9.541 -22.276 1.00 13.32 H new ATOM 0 HE1 PHE A 88 15.857 10.351 -17.515 1.00 54.20 H new ATOM 0 HE2 PHE A 88 18.436 10.727 -20.888 1.00 2.54 H new ATOM 0 HZ PHE A 88 17.969 11.139 -18.505 1.00 12.31 H new ATOM 1339 N GLY A 89 16.153 6.070 -22.987 1.00 3.31 N ATOM 1340 CA GLY A 89 17.478 5.641 -23.395 1.00 22.15 C ATOM 1341 C GLY A 89 17.472 4.262 -24.025 1.00 5.32 C ATOM 1342 O GLY A 89 16.589 3.939 -24.819 1.00 44.34 O ATOM 0 H GLY A 89 15.422 5.925 -23.683 1.00 3.31 H new ATOM 0 HA2 GLY A 89 17.887 6.360 -24.105 1.00 22.15 H new ATOM 0 HA3 GLY A 89 18.139 5.638 -22.528 1.00 22.15 H new ATOM 1346 N ASP A 90 18.461 3.448 -23.671 1.00 51.15 N ATOM 1347 CA ASP A 90 18.569 2.098 -24.211 1.00 32.50 C ATOM 1348 C ASP A 90 18.928 1.101 -23.113 1.00 72.12 C ATOM 1349 O ASP A 90 19.375 1.486 -22.033 1.00 44.43 O ATOM 1350 CB ASP A 90 19.619 2.052 -25.322 1.00 72.41 C ATOM 1351 CG ASP A 90 19.638 3.319 -26.154 1.00 15.03 C ATOM 1352 OD1 ASP A 90 20.733 3.887 -26.346 1.00 23.11 O ATOM 1353 OD2 ASP A 90 18.557 3.743 -26.613 1.00 74.42 O ATOM 0 H ASP A 90 19.199 3.700 -23.013 1.00 51.15 H new ATOM 0 HA ASP A 90 17.600 1.821 -24.626 1.00 32.50 H new ATOM 0 HB2 ASP A 90 20.604 1.896 -24.881 1.00 72.41 H new ATOM 0 HB3 ASP A 90 19.421 1.198 -25.970 1.00 72.41 H new ATOM 1358 N SER A 91 18.727 -0.182 -23.397 1.00 63.11 N ATOM 1359 CA SER A 91 19.025 -1.234 -22.432 1.00 63.02 C ATOM 1360 C SER A 91 19.102 -2.595 -23.118 1.00 43.53 C ATOM 1361 O SER A 91 18.925 -2.701 -24.332 1.00 73.20 O ATOM 1362 CB SER A 91 17.961 -1.264 -21.333 1.00 42.24 C ATOM 1363 OG SER A 91 18.284 -0.365 -20.286 1.00 61.23 O ATOM 0 H SER A 91 18.359 -0.518 -24.287 1.00 63.11 H new ATOM 0 HA SER A 91 19.994 -1.017 -21.983 1.00 63.02 H new ATOM 0 HB2 SER A 91 16.991 -1.002 -21.755 1.00 42.24 H new ATOM 0 HB3 SER A 91 17.873 -2.275 -20.935 1.00 42.24 H new ATOM 0 HG SER A 91 18.714 0.432 -20.660 1.00 61.23 H new ATOM 1369 N TYR A 92 19.368 -3.632 -22.333 1.00 4.15 N ATOM 1370 CA TYR A 92 19.473 -4.986 -22.863 1.00 51.14 C ATOM 1371 C TYR A 92 18.547 -5.938 -22.113 1.00 30.21 C ATOM 1372 O TYR A 92 18.818 -6.315 -20.973 1.00 25.45 O ATOM 1373 CB TYR A 92 20.917 -5.482 -22.771 1.00 72.32 C ATOM 1374 CG TYR A 92 21.871 -4.742 -23.682 1.00 33.45 C ATOM 1375 CD1 TYR A 92 22.484 -3.566 -23.269 1.00 23.05 C ATOM 1376 CD2 TYR A 92 22.158 -5.219 -24.955 1.00 12.24 C ATOM 1377 CE1 TYR A 92 23.356 -2.886 -24.097 1.00 21.10 C ATOM 1378 CE2 TYR A 92 23.029 -4.546 -25.789 1.00 64.42 C ATOM 1379 CZ TYR A 92 23.626 -3.381 -25.356 1.00 52.41 C ATOM 1380 OH TYR A 92 24.493 -2.707 -26.185 1.00 24.10 O ATOM 0 H TYR A 92 19.515 -3.561 -21.326 1.00 4.15 H new ATOM 0 HA TYR A 92 19.170 -4.964 -23.910 1.00 51.14 H new ATOM 0 HB2 TYR A 92 21.261 -5.384 -21.741 1.00 72.32 H new ATOM 0 HB3 TYR A 92 20.944 -6.544 -23.016 1.00 72.32 H new ATOM 0 HD1 TYR A 92 22.275 -3.177 -22.284 1.00 23.05 H new ATOM 0 HD2 TYR A 92 21.692 -6.131 -25.298 1.00 12.24 H new ATOM 0 HE1 TYR A 92 23.824 -1.972 -23.761 1.00 21.10 H new ATOM 0 HE2 TYR A 92 23.242 -4.930 -26.776 1.00 64.42 H new ATOM 0 HH TYR A 92 24.575 -3.189 -27.034 1.00 24.10 H new ATOM 1390 N ILE A 93 17.453 -6.323 -22.762 1.00 22.24 N ATOM 1391 CA ILE A 93 16.487 -7.232 -22.157 1.00 41.11 C ATOM 1392 C ILE A 93 17.079 -8.626 -21.980 1.00 45.22 C ATOM 1393 O ILE A 93 17.636 -9.199 -22.917 1.00 23.04 O ATOM 1394 CB ILE A 93 15.205 -7.335 -23.004 1.00 12.01 C ATOM 1395 CG1 ILE A 93 14.555 -5.958 -23.154 1.00 73.02 C ATOM 1396 CG2 ILE A 93 14.232 -8.320 -22.374 1.00 33.22 C ATOM 1397 CD1 ILE A 93 13.677 -5.835 -24.380 1.00 41.21 C ATOM 0 H ILE A 93 17.214 -6.020 -23.706 1.00 22.24 H new ATOM 0 HA ILE A 93 16.236 -6.820 -21.180 1.00 41.11 H new ATOM 0 HB ILE A 93 15.471 -7.701 -23.996 1.00 12.01 H new ATOM 0 HG12 ILE A 93 13.958 -5.748 -22.267 1.00 73.02 H new ATOM 0 HG13 ILE A 93 15.336 -5.199 -23.199 1.00 73.02 H new ATOM 0 HG21 ILE A 93 13.331 -8.382 -22.984 1.00 33.22 H new ATOM 0 HG22 ILE A 93 14.698 -9.304 -22.314 1.00 33.22 H new ATOM 0 HG23 ILE A 93 13.969 -7.981 -21.372 1.00 33.22 H new ATOM 0 HD11 ILE A 93 13.249 -4.833 -24.422 1.00 41.21 H new ATOM 0 HD12 ILE A 93 14.274 -6.013 -25.274 1.00 41.21 H new ATOM 0 HD13 ILE A 93 12.874 -6.570 -24.328 1.00 41.21 H new ATOM 1409 N VAL A 94 16.954 -9.167 -20.773 1.00 22.34 N ATOM 1410 CA VAL A 94 17.474 -10.496 -20.473 1.00 2.02 C ATOM 1411 C VAL A 94 16.424 -11.352 -19.774 1.00 24.15 C ATOM 1412 O VAL A 94 15.650 -10.856 -18.955 1.00 32.44 O ATOM 1413 CB VAL A 94 18.732 -10.420 -19.587 1.00 12.31 C ATOM 1414 CG1 VAL A 94 19.331 -11.804 -19.389 1.00 52.14 C ATOM 1415 CG2 VAL A 94 19.753 -9.469 -20.193 1.00 63.31 C ATOM 0 H VAL A 94 16.497 -8.706 -19.986 1.00 22.34 H new ATOM 0 HA VAL A 94 17.737 -10.955 -21.426 1.00 2.02 H new ATOM 0 HB VAL A 94 18.444 -10.033 -18.610 1.00 12.31 H new ATOM 0 HG11 VAL A 94 20.219 -11.730 -18.761 1.00 52.14 H new ATOM 0 HG12 VAL A 94 18.599 -12.452 -18.907 1.00 52.14 H new ATOM 0 HG13 VAL A 94 19.606 -12.223 -20.357 1.00 52.14 H new ATOM 0 HG21 VAL A 94 20.635 -9.427 -19.554 1.00 63.31 H new ATOM 0 HG22 VAL A 94 20.038 -9.824 -21.183 1.00 63.31 H new ATOM 0 HG23 VAL A 94 19.318 -8.473 -20.276 1.00 63.31 H new ATOM 1425 N ILE A 95 16.405 -12.640 -20.101 1.00 52.44 N ATOM 1426 CA ILE A 95 15.451 -13.565 -19.503 1.00 71.23 C ATOM 1427 C ILE A 95 16.166 -14.680 -18.747 1.00 43.43 C ATOM 1428 O ILE A 95 16.908 -15.466 -19.335 1.00 0.21 O ATOM 1429 CB ILE A 95 14.531 -14.191 -20.568 1.00 35.12 C ATOM 1430 CG1 ILE A 95 13.743 -13.101 -21.297 1.00 14.11 C ATOM 1431 CG2 ILE A 95 13.586 -15.196 -19.926 1.00 75.12 C ATOM 1432 CD1 ILE A 95 12.774 -12.356 -20.405 1.00 24.03 C ATOM 0 H ILE A 95 17.039 -13.066 -20.777 1.00 52.44 H new ATOM 0 HA ILE A 95 14.845 -12.986 -18.805 1.00 71.23 H new ATOM 0 HB ILE A 95 15.148 -14.716 -21.297 1.00 35.12 H new ATOM 0 HG12 ILE A 95 14.443 -12.389 -21.734 1.00 14.11 H new ATOM 0 HG13 ILE A 95 13.191 -13.553 -22.122 1.00 14.11 H new ATOM 0 HG21 ILE A 95 12.942 -15.630 -20.691 1.00 75.12 H new ATOM 0 HG22 ILE A 95 14.165 -15.986 -19.448 1.00 75.12 H new ATOM 0 HG23 ILE A 95 12.973 -14.693 -19.178 1.00 75.12 H new ATOM 0 HD11 ILE A 95 12.251 -11.599 -20.989 1.00 24.03 H new ATOM 0 HD12 ILE A 95 12.051 -13.057 -19.988 1.00 24.03 H new ATOM 0 HD13 ILE A 95 13.322 -11.875 -19.595 1.00 24.03 H new ATOM 1444 N GLY A 96 15.937 -14.742 -17.439 1.00 73.21 N ATOM 1445 CA GLY A 96 16.566 -15.765 -16.624 1.00 13.44 C ATOM 1446 C GLY A 96 18.079 -15.708 -16.688 1.00 41.02 C ATOM 1447 O GLY A 96 18.646 -14.918 -17.443 1.00 5.12 O ATOM 0 H GLY A 96 15.327 -14.102 -16.929 1.00 73.21 H new ATOM 0 HA2 GLY A 96 16.245 -15.649 -15.589 1.00 13.44 H new ATOM 0 HA3 GLY A 96 16.228 -16.747 -16.955 1.00 13.44 H new ATOM 1451 N VAL A 97 18.736 -16.547 -15.893 1.00 73.25 N ATOM 1452 CA VAL A 97 20.193 -16.589 -15.863 1.00 12.14 C ATOM 1453 C VAL A 97 20.708 -17.997 -16.136 1.00 62.35 C ATOM 1454 O VAL A 97 20.129 -18.982 -15.680 1.00 15.53 O ATOM 1455 CB VAL A 97 20.739 -16.109 -14.505 1.00 23.01 C ATOM 1456 CG1 VAL A 97 20.315 -14.673 -14.235 1.00 72.54 C ATOM 1457 CG2 VAL A 97 20.273 -17.030 -13.388 1.00 21.23 C ATOM 0 H VAL A 97 18.282 -17.207 -15.261 1.00 73.25 H new ATOM 0 HA VAL A 97 20.546 -15.918 -16.647 1.00 12.14 H new ATOM 0 HB VAL A 97 21.828 -16.140 -14.540 1.00 23.01 H new ATOM 0 HG11 VAL A 97 20.710 -14.352 -13.271 1.00 72.54 H new ATOM 0 HG12 VAL A 97 20.704 -14.025 -15.021 1.00 72.54 H new ATOM 0 HG13 VAL A 97 19.227 -14.612 -14.219 1.00 72.54 H new ATOM 0 HG21 VAL A 97 20.668 -16.676 -12.436 1.00 21.23 H new ATOM 0 HG22 VAL A 97 19.184 -17.034 -13.350 1.00 21.23 H new ATOM 0 HG23 VAL A 97 20.633 -18.041 -13.576 1.00 21.23 H new ATOM 1467 N GLY A 98 21.803 -18.086 -16.886 1.00 1.32 N ATOM 1468 CA GLY A 98 22.379 -19.378 -17.208 1.00 23.24 C ATOM 1469 C GLY A 98 23.472 -19.282 -18.254 1.00 11.42 C ATOM 1470 O GLY A 98 24.006 -18.202 -18.504 1.00 2.22 O ATOM 0 H GLY A 98 22.301 -17.286 -17.276 1.00 1.32 H new ATOM 0 HA2 GLY A 98 22.786 -19.827 -16.302 1.00 23.24 H new ATOM 0 HA3 GLY A 98 21.594 -20.043 -17.568 1.00 23.24 H new ATOM 1474 N GLU A 99 23.805 -20.414 -18.865 1.00 44.13 N ATOM 1475 CA GLU A 99 24.842 -20.451 -19.890 1.00 24.21 C ATOM 1476 C GLU A 99 24.276 -20.061 -21.252 1.00 12.52 C ATOM 1477 O GLU A 99 24.945 -19.406 -22.051 1.00 42.23 O ATOM 1478 CB GLU A 99 25.466 -21.847 -19.966 1.00 15.43 C ATOM 1479 CG GLU A 99 26.716 -21.909 -20.827 1.00 10.23 C ATOM 1480 CD GLU A 99 27.495 -23.195 -20.632 1.00 3.24 C ATOM 1481 OE1 GLU A 99 27.106 -23.997 -19.757 1.00 13.10 O ATOM 1482 OE2 GLU A 99 28.494 -23.399 -21.352 1.00 61.25 O ATOM 0 H GLU A 99 23.373 -21.317 -18.669 1.00 44.13 H new ATOM 0 HA GLU A 99 25.613 -19.730 -19.616 1.00 24.21 H new ATOM 0 HB2 GLU A 99 25.712 -22.181 -18.958 1.00 15.43 H new ATOM 0 HB3 GLU A 99 24.728 -22.545 -20.361 1.00 15.43 H new ATOM 0 HG2 GLU A 99 26.435 -21.814 -21.876 1.00 10.23 H new ATOM 0 HG3 GLU A 99 27.358 -21.060 -20.591 1.00 10.23 H new ATOM 1489 N LYS A 100 23.037 -20.467 -21.510 1.00 25.53 N ATOM 1490 CA LYS A 100 22.378 -20.160 -22.773 1.00 62.54 C ATOM 1491 C LYS A 100 21.508 -18.914 -22.644 1.00 71.45 C ATOM 1492 O LYS A 100 20.453 -18.814 -23.270 1.00 55.15 O ATOM 1493 CB LYS A 100 21.525 -21.347 -23.228 1.00 51.45 C ATOM 1494 CG LYS A 100 22.336 -22.492 -23.810 1.00 11.14 C ATOM 1495 CD LYS A 100 22.941 -23.358 -22.717 1.00 15.40 C ATOM 1496 CE LYS A 100 23.274 -24.750 -23.230 1.00 34.33 C ATOM 1497 NZ LYS A 100 22.091 -25.654 -23.190 1.00 14.25 N ATOM 0 H LYS A 100 22.469 -21.010 -20.860 1.00 25.53 H new ATOM 0 HA LYS A 100 23.149 -19.967 -23.519 1.00 62.54 H new ATOM 0 HB2 LYS A 100 20.949 -21.716 -22.379 1.00 51.45 H new ATOM 0 HB3 LYS A 100 20.809 -21.004 -23.975 1.00 51.45 H new ATOM 0 HG2 LYS A 100 21.698 -23.103 -24.449 1.00 11.14 H new ATOM 0 HG3 LYS A 100 23.130 -22.093 -24.441 1.00 11.14 H new ATOM 0 HD2 LYS A 100 23.845 -22.884 -22.334 1.00 15.40 H new ATOM 0 HD3 LYS A 100 22.243 -23.434 -21.883 1.00 15.40 H new ATOM 0 HE2 LYS A 100 23.644 -24.681 -24.253 1.00 34.33 H new ATOM 0 HE3 LYS A 100 24.077 -25.176 -22.629 1.00 34.33 H new ATOM 0 HZ1 LYS A 100 22.359 -26.593 -23.548 1.00 14.25 H new ATOM 0 HZ2 LYS A 100 21.753 -25.740 -22.210 1.00 14.25 H new ATOM 0 HZ3 LYS A 100 21.333 -25.261 -23.784 1.00 14.25 H new ATOM 1511 N LYS A 101 21.958 -17.966 -21.830 1.00 13.02 N ATOM 1512 CA LYS A 101 21.222 -16.724 -21.621 1.00 24.43 C ATOM 1513 C LYS A 101 20.914 -16.044 -22.951 1.00 32.23 C ATOM 1514 O LYS A 101 21.628 -16.233 -23.936 1.00 23.45 O ATOM 1515 CB LYS A 101 22.024 -15.777 -20.725 1.00 63.23 C ATOM 1516 CG LYS A 101 21.527 -15.729 -19.291 1.00 72.10 C ATOM 1517 CD LYS A 101 22.502 -14.994 -18.387 1.00 23.42 C ATOM 1518 CE LYS A 101 22.370 -13.486 -18.533 1.00 62.21 C ATOM 1519 NZ LYS A 101 23.639 -12.783 -18.195 1.00 74.02 N ATOM 0 H LYS A 101 22.829 -18.033 -21.304 1.00 13.02 H new ATOM 0 HA LYS A 101 20.279 -16.967 -21.131 1.00 24.43 H new ATOM 0 HB2 LYS A 101 23.069 -16.086 -20.728 1.00 63.23 H new ATOM 0 HB3 LYS A 101 21.987 -14.773 -21.147 1.00 63.23 H new ATOM 0 HG2 LYS A 101 20.556 -15.235 -19.258 1.00 72.10 H new ATOM 0 HG3 LYS A 101 21.381 -16.744 -18.921 1.00 72.10 H new ATOM 0 HD2 LYS A 101 22.322 -15.277 -17.350 1.00 23.42 H new ATOM 0 HD3 LYS A 101 23.521 -15.296 -18.628 1.00 23.42 H new ATOM 0 HE2 LYS A 101 22.082 -13.244 -19.556 1.00 62.21 H new ATOM 0 HE3 LYS A 101 21.572 -13.127 -17.884 1.00 62.21 H new ATOM 0 HZ1 LYS A 101 23.508 -11.757 -18.307 1.00 74.02 H new ATOM 0 HZ2 LYS A 101 23.901 -12.993 -17.211 1.00 74.02 H new ATOM 0 HZ3 LYS A 101 24.395 -13.107 -18.831 1.00 74.02 H new ATOM 1533 N ILE A 102 19.847 -15.252 -22.971 1.00 44.23 N ATOM 1534 CA ILE A 102 19.448 -14.540 -24.179 1.00 62.53 C ATOM 1535 C ILE A 102 19.449 -13.032 -23.955 1.00 31.23 C ATOM 1536 O ILE A 102 19.021 -12.549 -22.906 1.00 52.41 O ATOM 1537 CB ILE A 102 18.049 -14.977 -24.653 1.00 43.13 C ATOM 1538 CG1 ILE A 102 16.990 -14.571 -23.627 1.00 55.11 C ATOM 1539 CG2 ILE A 102 18.016 -16.479 -24.892 1.00 34.14 C ATOM 1540 CD1 ILE A 102 15.584 -14.966 -24.022 1.00 13.41 C ATOM 0 H ILE A 102 19.244 -15.087 -22.165 1.00 44.23 H new ATOM 0 HA ILE A 102 20.178 -14.790 -24.948 1.00 62.53 H new ATOM 0 HB ILE A 102 17.827 -14.475 -25.594 1.00 43.13 H new ATOM 0 HG12 ILE A 102 17.231 -15.028 -22.667 1.00 55.11 H new ATOM 0 HG13 ILE A 102 17.029 -13.491 -23.484 1.00 55.11 H new ATOM 0 HG21 ILE A 102 17.021 -16.772 -25.226 1.00 34.14 H new ATOM 0 HG22 ILE A 102 18.748 -16.742 -25.656 1.00 34.14 H new ATOM 0 HG23 ILE A 102 18.256 -17.000 -23.965 1.00 34.14 H new ATOM 0 HD11 ILE A 102 14.886 -14.647 -23.248 1.00 13.41 H new ATOM 0 HD12 ILE A 102 15.323 -14.488 -24.966 1.00 13.41 H new ATOM 0 HD13 ILE A 102 15.529 -16.049 -24.136 1.00 13.41 H new ATOM 1552 N THR A 103 19.931 -12.292 -24.948 1.00 3.42 N ATOM 1553 CA THR A 103 19.985 -10.838 -24.861 1.00 3.24 C ATOM 1554 C THR A 103 19.104 -10.190 -25.923 1.00 24.21 C ATOM 1555 O THR A 103 18.674 -10.847 -26.871 1.00 53.14 O ATOM 1556 CB THR A 103 21.427 -10.319 -25.019 1.00 52.41 C ATOM 1557 OG1 THR A 103 22.330 -11.419 -25.174 1.00 33.33 O ATOM 1558 CG2 THR A 103 21.837 -9.485 -23.815 1.00 2.22 C ATOM 0 H THR A 103 20.290 -12.676 -25.822 1.00 3.42 H new ATOM 0 HA THR A 103 19.615 -10.567 -23.872 1.00 3.24 H new ATOM 0 HB THR A 103 21.467 -9.689 -25.908 1.00 52.41 H new ATOM 0 HG1 THR A 103 23.244 -11.080 -25.276 1.00 33.33 H new ATOM 0 HG21 THR A 103 22.859 -9.130 -23.949 1.00 2.22 H new ATOM 0 HG22 THR A 103 21.166 -8.632 -23.718 1.00 2.22 H new ATOM 0 HG23 THR A 103 21.781 -10.095 -22.914 1.00 2.22 H new ATOM 1566 N HIS A 104 18.840 -8.898 -25.759 1.00 1.24 N ATOM 1567 CA HIS A 104 18.012 -8.160 -26.706 1.00 33.41 C ATOM 1568 C HIS A 104 18.189 -6.656 -26.526 1.00 40.22 C ATOM 1569 O HIS A 104 17.833 -6.098 -25.488 1.00 11.13 O ATOM 1570 CB HIS A 104 16.540 -8.537 -26.530 1.00 3.12 C ATOM 1571 CG HIS A 104 15.786 -8.624 -27.821 1.00 13.34 C ATOM 1572 ND1 HIS A 104 15.687 -9.785 -28.558 1.00 43.44 N ATOM 1573 CD2 HIS A 104 15.089 -7.685 -28.504 1.00 23.42 C ATOM 1574 CE1 HIS A 104 14.965 -9.556 -29.640 1.00 74.13 C ATOM 1575 NE2 HIS A 104 14.589 -8.290 -29.631 1.00 0.22 N ATOM 0 H HIS A 104 19.188 -8.340 -24.979 1.00 1.24 H new ATOM 0 HA HIS A 104 18.330 -8.427 -27.714 1.00 33.41 H new ATOM 0 HB2 HIS A 104 16.478 -9.497 -26.017 1.00 3.12 H new ATOM 0 HB3 HIS A 104 16.059 -7.800 -25.887 1.00 3.12 H new ATOM 0 HD1 HIS A 104 16.106 -10.681 -28.307 1.00 43.44 H new ATOM 0 HD2 HIS A 104 14.952 -6.653 -28.216 1.00 23.42 H new ATOM 0 HE1 HIS A 104 14.723 -10.281 -30.403 1.00 74.13 H new ATOM 1583 N HIS A 105 18.742 -6.004 -27.544 1.00 63.22 N ATOM 1584 CA HIS A 105 18.966 -4.564 -27.499 1.00 2.53 C ATOM 1585 C HIS A 105 17.650 -3.805 -27.640 1.00 42.51 C ATOM 1586 O HIS A 105 16.716 -4.278 -28.287 1.00 21.22 O ATOM 1587 CB HIS A 105 19.933 -4.141 -28.605 1.00 64.20 C ATOM 1588 CG HIS A 105 19.463 -4.500 -29.981 1.00 21.21 C ATOM 1589 ND1 HIS A 105 19.893 -5.625 -30.654 1.00 13.34 N ATOM 1590 CD2 HIS A 105 18.594 -3.877 -30.810 1.00 53.21 C ATOM 1591 CE1 HIS A 105 19.309 -5.676 -31.838 1.00 23.43 C ATOM 1592 NE2 HIS A 105 18.516 -4.627 -31.957 1.00 74.44 N ATOM 0 H HIS A 105 19.043 -6.451 -28.410 1.00 63.22 H new ATOM 0 HA HIS A 105 19.404 -4.320 -26.531 1.00 2.53 H new ATOM 0 HB2 HIS A 105 20.084 -3.063 -28.551 1.00 64.20 H new ATOM 0 HB3 HIS A 105 20.902 -4.608 -28.427 1.00 64.20 H new ATOM 0 HD2 HIS A 105 18.061 -2.960 -30.607 1.00 53.21 H new ATOM 0 HE1 HIS A 105 19.455 -6.445 -32.582 1.00 23.43 H new ATOM 0 HE2 HIS A 105 17.939 -4.409 -32.769 1.00 74.44 H new ATOM 1600 N TRP A 106 17.584 -2.626 -27.031 1.00 24.31 N ATOM 1601 CA TRP A 106 16.382 -1.803 -27.088 1.00 41.54 C ATOM 1602 C TRP A 106 16.739 -0.331 -27.267 1.00 14.11 C ATOM 1603 O TRP A 106 17.251 0.310 -26.348 1.00 75.22 O ATOM 1604 CB TRP A 106 15.551 -1.988 -25.818 1.00 74.21 C ATOM 1605 CG TRP A 106 14.390 -1.045 -25.725 1.00 12.42 C ATOM 1606 CD1 TRP A 106 14.053 -0.263 -24.657 1.00 34.23 C ATOM 1607 CD2 TRP A 106 13.413 -0.785 -26.739 1.00 33.44 C ATOM 1608 NE1 TRP A 106 12.925 0.466 -24.945 1.00 55.25 N ATOM 1609 CE2 TRP A 106 12.513 0.165 -26.217 1.00 30.33 C ATOM 1610 CE3 TRP A 106 13.211 -1.261 -28.037 1.00 22.52 C ATOM 1611 CZ2 TRP A 106 11.430 0.644 -26.949 1.00 0.45 C ATOM 1612 CZ3 TRP A 106 12.136 -0.785 -28.762 1.00 13.43 C ATOM 1613 CH2 TRP A 106 11.257 0.161 -28.217 1.00 33.11 C ATOM 0 H TRP A 106 18.349 -2.219 -26.492 1.00 24.31 H new ATOM 0 HA TRP A 106 15.793 -2.123 -27.948 1.00 41.54 H new ATOM 0 HB2 TRP A 106 15.181 -3.013 -25.780 1.00 74.21 H new ATOM 0 HB3 TRP A 106 16.193 -1.849 -24.949 1.00 74.21 H new ATOM 0 HD1 TRP A 106 14.594 -0.224 -23.723 1.00 34.23 H new ATOM 0 HE1 TRP A 106 12.468 1.125 -24.314 1.00 55.25 H new ATOM 0 HE3 TRP A 106 13.884 -1.989 -28.466 1.00 22.52 H new ATOM 0 HZ2 TRP A 106 10.750 1.371 -26.530 1.00 0.45 H new ATOM 0 HZ3 TRP A 106 11.970 -1.148 -29.766 1.00 13.43 H new ATOM 0 HH2 TRP A 106 10.427 0.516 -28.810 1.00 33.11 H new ATOM 1624 N HIS A 107 16.465 0.200 -28.454 1.00 40.14 N ATOM 1625 CA HIS A 107 16.756 1.598 -28.752 1.00 42.01 C ATOM 1626 C HIS A 107 15.473 2.421 -28.805 1.00 75.14 C ATOM 1627 O HIS A 107 14.517 2.055 -29.490 1.00 43.04 O ATOM 1628 CB HIS A 107 17.505 1.713 -30.080 1.00 41.21 C ATOM 1629 CG HIS A 107 18.169 3.041 -30.280 1.00 71.12 C ATOM 1630 ND1 HIS A 107 19.502 3.264 -30.008 1.00 0.52 N ATOM 1631 CD2 HIS A 107 17.676 4.218 -30.731 1.00 11.24 C ATOM 1632 CE1 HIS A 107 19.800 4.522 -30.280 1.00 52.33 C ATOM 1633 NE2 HIS A 107 18.709 5.123 -30.721 1.00 61.31 N ATOM 0 H HIS A 107 16.042 -0.316 -29.225 1.00 40.14 H new ATOM 0 HA HIS A 107 17.385 1.991 -27.953 1.00 42.01 H new ATOM 0 HB2 HIS A 107 18.259 0.928 -30.132 1.00 41.21 H new ATOM 0 HB3 HIS A 107 16.806 1.538 -30.898 1.00 41.21 H new ATOM 0 HD2 HIS A 107 16.659 4.410 -31.041 1.00 11.24 H new ATOM 0 HE1 HIS A 107 20.770 4.981 -30.162 1.00 52.33 H new ATOM 0 HE2 HIS A 107 18.645 6.100 -31.007 1.00 61.31 H new ATOM 1641 N ARG A 108 15.458 3.533 -28.078 1.00 34.12 N ATOM 1642 CA ARG A 108 14.291 4.407 -28.042 1.00 21.33 C ATOM 1643 C ARG A 108 14.663 5.828 -28.456 1.00 21.53 C ATOM 1644 O ARG A 108 15.220 6.589 -27.665 1.00 40.44 O ATOM 1645 CB ARG A 108 13.678 4.417 -26.640 1.00 70.42 C ATOM 1646 CG ARG A 108 12.186 4.707 -26.630 1.00 60.11 C ATOM 1647 CD ARG A 108 11.760 5.390 -25.340 1.00 41.21 C ATOM 1648 NE ARG A 108 10.362 5.810 -25.379 1.00 40.41 N ATOM 1649 CZ ARG A 108 9.850 6.736 -24.575 1.00 62.04 C ATOM 1650 NH1 ARG A 108 10.618 7.335 -23.675 1.00 74.13 N ATOM 1651 NH2 ARG A 108 8.568 7.064 -24.672 1.00 2.44 N ATOM 0 H ARG A 108 16.240 3.850 -27.506 1.00 34.12 H new ATOM 0 HA ARG A 108 13.557 4.021 -28.750 1.00 21.33 H new ATOM 0 HB2 ARG A 108 13.855 3.450 -26.168 1.00 70.42 H new ATOM 0 HB3 ARG A 108 14.189 5.165 -26.034 1.00 70.42 H new ATOM 0 HG2 ARG A 108 11.932 5.341 -27.480 1.00 60.11 H new ATOM 0 HG3 ARG A 108 11.632 3.776 -26.750 1.00 60.11 H new ATOM 0 HD2 ARG A 108 11.911 4.709 -24.502 1.00 41.21 H new ATOM 0 HD3 ARG A 108 12.395 6.258 -25.163 1.00 41.21 H new ATOM 0 HE ARG A 108 9.745 5.369 -26.061 1.00 40.41 H new ATOM 0 HH11 ARG A 108 11.604 7.085 -23.599 1.00 74.13 H new ATOM 0 HH12 ARG A 108 10.223 8.045 -23.059 1.00 74.13 H new ATOM 0 HH21 ARG A 108 7.975 6.605 -25.364 1.00 2.44 H new ATOM 0 HH22 ARG A 108 8.175 7.775 -24.055 1.00 2.44 H new