USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 513 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 59 CYS SG : rot 128:sc= 0.938 USER MOD Set 1.2: A 67 CYS SG : rot -48:sc= -0.279 USER MOD Set 1.3: A 72 CYS SG : rot -163:sc= 0.603 USER MOD Set 1.4: A 76 HIS : no HE2:sc= -0.226 X(o=1,f=0.55) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.1) USER MOD Set 3.1: A 23 CYS SG : rot 121:sc= 0.779 USER MOD Set 3.2: A 31 CYS SG : rot 128:sc= 0.918 USER MOD Set 3.3: A 38 CYS SG : rot 137:sc= 0.0821 USER MOD Set 3.4: A 42 HIS :FLIP no HD1:sc= -2.43 F(o=-1.7,f=-0.65) USER MOD Single : A 17 THR OG1 : rot -16:sc= 0.342 USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= -0.059 (180deg=-0.325) USER MOD Single : A 27 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.1) USER MOD Single : A 30 ASN : amide:sc= -1.29 K(o=-1.3,f=-2.3) USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.187 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.0821 K(o=-0.082,f=-0.85) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 143:sc= -0.365 (180deg=-0.946) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS :FLIP no HE2:sc= -11.6! C(o=-14!,f=-12!) USER MOD Single : A 84 LYS NZ :NH3+ 144:sc= -0.207 (180deg=-0.54) USER MOD Single : A 86 LYS NZ :NH3+ -165:sc= 0 (180deg=-0.0815) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -6.129 7.185 -11.031 1.00 0.00 N ATOM 217 CA THR A 17 -5.702 6.898 -9.667 1.00 0.00 C ATOM 218 C THR A 17 -5.622 5.396 -9.421 1.00 0.00 C ATOM 219 O THR A 17 -5.012 4.948 -8.449 1.00 0.00 O ATOM 220 CB THR A 17 -6.658 7.526 -8.635 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.212 7.226 -7.308 1.00 0.00 O ATOM 222 CG2 THR A 17 -8.076 7.010 -8.827 1.00 0.00 C ATOM 0 HA THR A 17 -4.711 7.336 -9.547 1.00 0.00 H new ATOM 0 HB THR A 17 -6.658 8.606 -8.783 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.567 6.488 -7.338 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.733 7.467 -8.087 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.424 7.265 -9.828 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.089 5.927 -8.704 1.00 0.00 H new ATOM 230 N ASP A 18 -6.241 4.622 -10.305 1.00 0.00 N ATOM 231 CA ASP A 18 -6.238 3.169 -10.184 1.00 0.00 C ATOM 232 C ASP A 18 -5.053 2.564 -10.931 1.00 0.00 C ATOM 233 O ASP A 18 -5.202 1.592 -11.671 1.00 0.00 O ATOM 234 CB ASP A 18 -7.546 2.588 -10.723 1.00 0.00 C ATOM 235 CG ASP A 18 -7.620 2.636 -12.237 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.212 3.662 -12.819 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.087 1.646 -12.840 1.00 0.00 O ATOM 0 H ASP A 18 -6.752 4.977 -11.114 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.146 2.918 -9.127 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.646 1.555 -10.390 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.386 3.141 -10.303 1.00 0.00 H new ATOM 242 N LYS A 19 -3.875 3.146 -10.732 1.00 0.00 N ATOM 243 CA LYS A 19 -2.663 2.666 -11.385 1.00 0.00 C ATOM 244 C LYS A 19 -1.530 2.503 -10.377 1.00 0.00 C ATOM 245 O LYS A 19 -1.065 3.479 -9.786 1.00 0.00 O ATOM 246 CB LYS A 19 -2.239 3.632 -12.493 1.00 0.00 C ATOM 247 CG LYS A 19 -2.426 5.095 -12.129 1.00 0.00 C ATOM 248 CD LYS A 19 -2.737 5.939 -13.353 1.00 0.00 C ATOM 249 CE LYS A 19 -1.471 6.507 -13.975 1.00 0.00 C ATOM 250 NZ LYS A 19 -0.842 7.540 -13.106 1.00 0.00 N ATOM 0 H LYS A 19 -3.734 3.952 -10.123 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.878 1.692 -11.824 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.190 3.457 -12.734 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.814 3.414 -13.393 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.235 5.190 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.522 5.469 -11.648 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.265 5.333 -14.089 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.404 6.755 -13.074 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.760 5.700 -14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.707 6.943 -14.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.219 8.144 -13.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.583 8.124 -12.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.284 7.075 -12.362 1.00 0.00 H new ATOM 264 N LEU A 20 -1.089 1.264 -10.185 1.00 0.00 N ATOM 265 CA LEU A 20 -0.008 0.973 -9.249 1.00 0.00 C ATOM 266 C LEU A 20 1.284 0.652 -9.993 1.00 0.00 C ATOM 267 O LEU A 20 1.319 -0.241 -10.838 1.00 0.00 O ATOM 268 CB LEU A 20 -0.393 -0.197 -8.343 1.00 0.00 C ATOM 269 CG LEU A 20 -1.127 0.167 -7.052 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.967 -1.005 -6.567 1.00 0.00 C ATOM 271 CD2 LEU A 20 -0.138 0.597 -5.979 1.00 0.00 C ATOM 0 H LEU A 20 -1.463 0.445 -10.665 1.00 0.00 H new ATOM 0 HA LEU A 20 0.158 1.859 -8.636 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.021 -0.881 -8.914 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.514 -0.741 -8.080 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.794 1.004 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.482 -0.728 -5.647 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.701 -1.267 -7.329 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.321 -1.862 -6.377 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.678 0.852 -5.067 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.554 -0.220 -5.774 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.420 1.467 -6.326 1.00 0.00 H new ATOM 283 N GLU A 21 2.345 1.385 -9.670 1.00 0.00 N ATOM 284 CA GLU A 21 3.640 1.177 -10.306 1.00 0.00 C ATOM 285 C GLU A 21 4.281 -0.121 -9.823 1.00 0.00 C ATOM 286 O GLU A 21 4.658 -0.244 -8.658 1.00 0.00 O ATOM 287 CB GLU A 21 4.571 2.356 -10.019 1.00 0.00 C ATOM 288 CG GLU A 21 4.229 3.609 -10.808 1.00 0.00 C ATOM 289 CD GLU A 21 4.668 4.879 -10.106 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.711 4.883 -8.858 1.00 0.00 O ATOM 291 OE2 GLU A 21 4.969 5.869 -10.805 1.00 0.00 O ATOM 0 H GLU A 21 2.333 2.128 -8.971 1.00 0.00 H new ATOM 0 HA GLU A 21 3.479 1.105 -11.382 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.534 2.586 -8.954 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.596 2.062 -10.246 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.704 3.557 -11.788 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.153 3.645 -10.977 1.00 0.00 H new ATOM 298 N VAL A 22 4.401 -1.088 -10.728 1.00 0.00 N ATOM 299 CA VAL A 22 4.997 -2.376 -10.395 1.00 0.00 C ATOM 300 C VAL A 22 6.475 -2.227 -10.054 1.00 0.00 C ATOM 301 O VAL A 22 7.218 -1.537 -10.753 1.00 0.00 O ATOM 302 CB VAL A 22 4.847 -3.379 -11.555 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.679 -4.626 -11.293 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.384 -3.739 -11.762 1.00 0.00 C ATOM 0 H VAL A 22 4.093 -1.003 -11.697 1.00 0.00 H new ATOM 0 HA VAL A 22 4.464 -2.756 -9.524 1.00 0.00 H new ATOM 0 HB VAL A 22 5.215 -2.910 -12.468 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.561 -5.323 -12.123 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.729 -4.349 -11.198 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.344 -5.100 -10.370 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.297 -4.448 -12.585 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.988 -4.189 -10.852 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.817 -2.838 -11.998 1.00 0.00 H new ATOM 314 N CYS A 23 6.897 -2.879 -8.976 1.00 0.00 N ATOM 315 CA CYS A 23 8.287 -2.820 -8.541 1.00 0.00 C ATOM 316 C CYS A 23 9.210 -3.447 -9.581 1.00 0.00 C ATOM 317 O CYS A 23 8.801 -4.328 -10.338 1.00 0.00 O ATOM 318 CB CYS A 23 8.453 -3.534 -7.198 1.00 0.00 C ATOM 319 SG CYS A 23 9.776 -2.848 -6.150 1.00 0.00 S ATOM 0 H CYS A 23 6.295 -3.455 -8.387 1.00 0.00 H new ATOM 0 HA CYS A 23 8.561 -1.772 -8.424 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.510 -3.485 -6.653 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.660 -4.588 -7.382 1.00 0.00 H new ATOM 0 HG CYS A 23 9.273 -2.457 -5.017 1.00 0.00 H new ATOM 324 N ARG A 24 10.456 -2.988 -9.612 1.00 0.00 N ATOM 325 CA ARG A 24 11.437 -3.503 -10.560 1.00 0.00 C ATOM 326 C ARG A 24 12.228 -4.656 -9.951 1.00 0.00 C ATOM 327 O ARG A 24 12.508 -5.651 -10.619 1.00 0.00 O ATOM 328 CB ARG A 24 12.392 -2.389 -10.995 1.00 0.00 C ATOM 329 CG ARG A 24 11.793 -1.439 -12.019 1.00 0.00 C ATOM 330 CD ARG A 24 11.945 -1.976 -13.433 1.00 0.00 C ATOM 331 NE ARG A 24 13.347 -2.101 -13.823 1.00 0.00 N ATOM 332 CZ ARG A 24 14.093 -1.078 -14.223 1.00 0.00 C ATOM 333 NH1 ARG A 24 13.574 0.141 -14.285 1.00 0.00 N ATOM 334 NH2 ARG A 24 15.361 -1.272 -14.561 1.00 0.00 N ATOM 0 H ARG A 24 10.811 -2.260 -8.992 1.00 0.00 H new ATOM 0 HA ARG A 24 10.901 -3.874 -11.433 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.696 -1.819 -10.117 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.294 -2.837 -11.412 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.737 -1.284 -11.799 1.00 0.00 H new ATOM 0 HG3 ARG A 24 12.280 -0.467 -11.944 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.460 -2.950 -13.505 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.433 -1.313 -14.130 1.00 0.00 H new ATOM 0 HE ARG A 24 13.777 -3.025 -13.786 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.600 0.294 -14.025 1.00 0.00 H new ATOM 0 HH12 ARG A 24 14.149 0.925 -14.593 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.764 -2.208 -14.514 1.00 0.00 H new ATOM 0 HH22 ARG A 24 15.933 -0.485 -14.868 1.00 0.00 H new ATOM 348 N GLU A 25 12.586 -4.515 -8.678 1.00 0.00 N ATOM 349 CA GLU A 25 13.346 -5.545 -7.980 1.00 0.00 C ATOM 350 C GLU A 25 12.533 -6.831 -7.857 1.00 0.00 C ATOM 351 O GLU A 25 12.907 -7.869 -8.402 1.00 0.00 O ATOM 352 CB GLU A 25 13.757 -5.053 -6.590 1.00 0.00 C ATOM 353 CG GLU A 25 14.768 -3.920 -6.620 1.00 0.00 C ATOM 354 CD GLU A 25 14.120 -2.565 -6.832 1.00 0.00 C ATOM 355 OE1 GLU A 25 13.905 -2.186 -8.002 1.00 0.00 O ATOM 356 OE2 GLU A 25 13.829 -1.884 -5.826 1.00 0.00 O ATOM 0 H GLU A 25 12.362 -3.698 -8.110 1.00 0.00 H new ATOM 0 HA GLU A 25 14.243 -5.757 -8.562 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.868 -4.721 -6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.176 -5.888 -6.028 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.324 -3.910 -5.683 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.489 -4.102 -7.417 1.00 0.00 H new ATOM 363 N PHE A 26 11.420 -6.754 -7.135 1.00 0.00 N ATOM 364 CA PHE A 26 10.555 -7.911 -6.938 1.00 0.00 C ATOM 365 C PHE A 26 10.513 -8.778 -8.193 1.00 0.00 C ATOM 366 O PHE A 26 10.740 -9.986 -8.132 1.00 0.00 O ATOM 367 CB PHE A 26 9.140 -7.459 -6.568 1.00 0.00 C ATOM 368 CG PHE A 26 8.077 -8.451 -6.946 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.516 -8.437 -8.213 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.638 -9.397 -6.033 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.538 -9.348 -8.563 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.660 -10.311 -6.378 1.00 0.00 C ATOM 373 CZ PHE A 26 6.109 -10.285 -7.644 1.00 0.00 C ATOM 0 H PHE A 26 11.096 -5.902 -6.677 1.00 0.00 H new ATOM 0 HA PHE A 26 10.964 -8.505 -6.121 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.093 -7.280 -5.494 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.930 -6.509 -7.059 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.847 -7.705 -8.935 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.065 -9.420 -5.041 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.110 -9.327 -9.554 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.327 -11.044 -5.658 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.343 -10.997 -7.915 1.00 0.00 H new ATOM 383 N GLN A 27 10.219 -8.152 -9.328 1.00 0.00 N ATOM 384 CA GLN A 27 10.145 -8.867 -10.597 1.00 0.00 C ATOM 385 C GLN A 27 11.193 -9.973 -10.660 1.00 0.00 C ATOM 386 O GLN A 27 10.869 -11.135 -10.909 1.00 0.00 O ATOM 387 CB GLN A 27 10.339 -7.898 -11.764 1.00 0.00 C ATOM 388 CG GLN A 27 9.074 -7.145 -12.145 1.00 0.00 C ATOM 389 CD GLN A 27 9.109 -6.630 -13.571 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.145 -6.171 -14.053 1.00 0.00 O ATOM 391 NE2 GLN A 27 7.973 -6.704 -14.255 1.00 0.00 N ATOM 0 H GLN A 27 10.028 -7.152 -9.395 1.00 0.00 H new ATOM 0 HA GLN A 27 9.157 -9.322 -10.672 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.116 -7.179 -11.503 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.697 -8.453 -12.631 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.213 -7.802 -12.021 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.936 -6.306 -11.463 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.138 -7.092 -13.816 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.936 -6.373 -15.219 1.00 0.00 H new ATOM 400 N ARG A 28 12.450 -9.605 -10.434 1.00 0.00 N ATOM 401 CA ARG A 28 13.546 -10.566 -10.467 1.00 0.00 C ATOM 402 C ARG A 28 13.716 -11.244 -9.110 1.00 0.00 C ATOM 403 O ARG A 28 14.307 -12.317 -9.011 1.00 0.00 O ATOM 404 CB ARG A 28 14.849 -9.873 -10.869 1.00 0.00 C ATOM 405 CG ARG A 28 15.494 -9.085 -9.740 1.00 0.00 C ATOM 406 CD ARG A 28 16.890 -8.615 -10.116 1.00 0.00 C ATOM 407 NE ARG A 28 16.863 -7.618 -11.183 1.00 0.00 N ATOM 408 CZ ARG A 28 17.901 -7.357 -11.970 1.00 0.00 C ATOM 409 NH1 ARG A 28 19.041 -8.014 -11.811 1.00 0.00 N ATOM 410 NH2 ARG A 28 17.799 -6.435 -12.920 1.00 0.00 N ATOM 0 H ARG A 28 12.735 -8.648 -10.226 1.00 0.00 H new ATOM 0 HA ARG A 28 13.305 -11.328 -11.208 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.554 -10.623 -11.226 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.650 -9.200 -11.703 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.873 -8.224 -9.495 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.546 -9.705 -8.845 1.00 0.00 H new ATOM 0 HD2 ARG A 28 17.379 -8.193 -9.238 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.487 -9.470 -10.434 1.00 0.00 H new ATOM 0 HE ARG A 28 16.001 -7.094 -11.332 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.124 -8.723 -11.082 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.836 -7.811 -12.417 1.00 0.00 H new ATOM 0 HH21 ARG A 28 16.924 -5.927 -13.046 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.596 -6.235 -13.524 1.00 0.00 H new ATOM 424 N GLY A 29 13.192 -10.607 -8.067 1.00 0.00 N ATOM 425 CA GLY A 29 13.297 -11.163 -6.730 1.00 0.00 C ATOM 426 C GLY A 29 14.418 -10.534 -5.927 1.00 0.00 C ATOM 427 O GLY A 29 15.226 -11.237 -5.321 1.00 0.00 O ATOM 0 H GLY A 29 12.697 -9.717 -8.124 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.353 -11.019 -6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.463 -12.238 -6.799 1.00 0.00 H new ATOM 431 N ASN A 30 14.470 -9.206 -5.925 1.00 0.00 N ATOM 432 CA ASN A 30 15.503 -8.482 -5.192 1.00 0.00 C ATOM 433 C ASN A 30 14.891 -7.645 -4.073 1.00 0.00 C ATOM 434 O ASN A 30 15.515 -7.426 -3.034 1.00 0.00 O ATOM 435 CB ASN A 30 16.295 -7.582 -6.142 1.00 0.00 C ATOM 436 CG ASN A 30 17.501 -8.286 -6.734 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.476 -9.495 -6.966 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.565 -7.531 -6.980 1.00 0.00 N ATOM 0 H ASN A 30 13.809 -8.609 -6.423 1.00 0.00 H new ATOM 0 HA ASN A 30 16.178 -9.213 -4.747 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.643 -7.245 -6.948 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.624 -6.692 -5.605 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.406 -7.949 -7.377 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.541 -6.533 -6.772 1.00 0.00 H new ATOM 445 N CYS A 31 13.665 -7.181 -4.291 1.00 0.00 N ATOM 446 CA CYS A 31 12.967 -6.368 -3.302 1.00 0.00 C ATOM 447 C CYS A 31 12.811 -7.127 -1.988 1.00 0.00 C ATOM 448 O CYS A 31 12.327 -8.258 -1.966 1.00 0.00 O ATOM 449 CB CYS A 31 11.593 -5.953 -3.831 1.00 0.00 C ATOM 450 SG CYS A 31 10.931 -4.435 -3.071 1.00 0.00 S ATOM 0 H CYS A 31 13.134 -7.354 -5.144 1.00 0.00 H new ATOM 0 HA CYS A 31 13.562 -5.474 -3.116 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.659 -5.808 -4.909 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.889 -6.768 -3.662 1.00 0.00 H new ATOM 0 HG CYS A 31 10.576 -3.602 -4.004 1.00 0.00 H new ATOM 455 N ALA A 32 13.223 -6.495 -0.893 1.00 0.00 N ATOM 456 CA ALA A 32 13.127 -7.109 0.425 1.00 0.00 C ATOM 457 C ALA A 32 11.967 -6.520 1.221 1.00 0.00 C ATOM 458 O ALA A 32 11.427 -7.166 2.120 1.00 0.00 O ATOM 459 CB ALA A 32 14.433 -6.934 1.185 1.00 0.00 C ATOM 0 H ALA A 32 13.626 -5.558 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 32 12.938 -8.174 0.290 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.347 -7.397 2.168 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.243 -7.407 0.630 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.646 -5.871 1.302 1.00 0.00 H new ATOM 465 N ARG A 33 11.588 -5.291 0.886 1.00 0.00 N ATOM 466 CA ARG A 33 10.493 -4.615 1.571 1.00 0.00 C ATOM 467 C ARG A 33 9.162 -5.302 1.278 1.00 0.00 C ATOM 468 O ARG A 33 8.224 -5.222 2.069 1.00 0.00 O ATOM 469 CB ARG A 33 10.426 -3.147 1.146 1.00 0.00 C ATOM 470 CG ARG A 33 11.672 -2.353 1.502 1.00 0.00 C ATOM 471 CD ARG A 33 11.608 -0.938 0.948 1.00 0.00 C ATOM 472 NE ARG A 33 12.916 -0.289 0.953 1.00 0.00 N ATOM 473 CZ ARG A 33 13.873 -0.558 0.072 1.00 0.00 C ATOM 474 NH1 ARG A 33 13.669 -1.459 -0.879 1.00 0.00 N ATOM 475 NH2 ARG A 33 15.038 0.075 0.141 1.00 0.00 N ATOM 0 H ARG A 33 12.023 -4.743 0.144 1.00 0.00 H new ATOM 0 HA ARG A 33 10.681 -4.667 2.643 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.268 -3.096 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.561 -2.680 1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 33 11.784 -2.316 2.586 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.553 -2.860 1.108 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.220 -0.965 -0.070 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.908 -0.348 1.540 1.00 0.00 H new ATOM 0 HE ARG A 33 13.105 0.409 1.672 1.00 0.00 H new ATOM 0 HH11 ARG A 33 12.775 -1.948 -0.935 1.00 0.00 H new ATOM 0 HH12 ARG A 33 14.406 -1.664 -1.554 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.199 0.769 0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 33 15.772 -0.133 -0.536 1.00 0.00 H new ATOM 489 N GLY A 34 9.089 -5.975 0.133 1.00 0.00 N ATOM 490 CA GLY A 34 7.869 -6.665 -0.244 1.00 0.00 C ATOM 491 C GLY A 34 6.702 -5.717 -0.435 1.00 0.00 C ATOM 492 O GLY A 34 6.789 -4.539 -0.089 1.00 0.00 O ATOM 0 H GLY A 34 9.852 -6.054 -0.539 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.039 -7.218 -1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.617 -7.397 0.524 1.00 0.00 H new ATOM 496 N GLU A 35 5.608 -6.231 -0.988 1.00 0.00 N ATOM 497 CA GLU A 35 4.420 -5.420 -1.226 1.00 0.00 C ATOM 498 C GLU A 35 3.892 -4.832 0.079 1.00 0.00 C ATOM 499 O GLU A 35 3.012 -3.969 0.076 1.00 0.00 O ATOM 500 CB GLU A 35 3.330 -6.257 -1.899 1.00 0.00 C ATOM 501 CG GLU A 35 3.042 -7.567 -1.186 1.00 0.00 C ATOM 502 CD GLU A 35 1.633 -8.070 -1.436 1.00 0.00 C ATOM 503 OE1 GLU A 35 0.776 -7.256 -1.840 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.387 -9.276 -1.227 1.00 0.00 O ATOM 0 H GLU A 35 5.520 -7.205 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 35 4.698 -4.600 -1.888 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.412 -5.671 -1.949 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.629 -6.470 -2.925 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.757 -8.321 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.191 -7.434 -0.115 1.00 0.00 H new ATOM 511 N THR A 36 4.434 -5.306 1.197 1.00 0.00 N ATOM 512 CA THR A 36 4.017 -4.830 2.510 1.00 0.00 C ATOM 513 C THR A 36 4.763 -3.558 2.896 1.00 0.00 C ATOM 514 O THR A 36 4.150 -2.519 3.144 1.00 0.00 O ATOM 515 CB THR A 36 4.252 -5.898 3.595 1.00 0.00 C ATOM 516 OG1 THR A 36 5.640 -6.243 3.650 1.00 0.00 O ATOM 517 CG2 THR A 36 3.425 -7.144 3.316 1.00 0.00 C ATOM 0 H THR A 36 5.163 -6.019 1.219 1.00 0.00 H new ATOM 0 HA THR A 36 2.950 -4.617 2.445 1.00 0.00 H new ATOM 0 HB THR A 36 3.943 -5.484 4.555 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.781 -6.921 4.343 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.608 -7.884 4.095 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.367 -6.883 3.304 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.707 -7.559 2.348 1.00 0.00 H new ATOM 525 N ASP A 37 6.088 -3.645 2.944 1.00 0.00 N ATOM 526 CA ASP A 37 6.917 -2.499 3.298 1.00 0.00 C ATOM 527 C ASP A 37 7.302 -1.703 2.055 1.00 0.00 C ATOM 528 O ASP A 37 8.073 -0.746 2.132 1.00 0.00 O ATOM 529 CB ASP A 37 8.177 -2.962 4.032 1.00 0.00 C ATOM 530 CG ASP A 37 8.932 -1.812 4.667 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.329 -1.083 5.482 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.128 -1.638 4.348 1.00 0.00 O ATOM 0 H ASP A 37 6.611 -4.497 2.742 1.00 0.00 H new ATOM 0 HA ASP A 37 6.338 -1.852 3.957 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.901 -3.682 4.803 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.832 -3.480 3.332 1.00 0.00 H new ATOM 537 N CYS A 38 6.761 -2.104 0.910 1.00 0.00 N ATOM 538 CA CYS A 38 7.048 -1.429 -0.350 1.00 0.00 C ATOM 539 C CYS A 38 5.793 -0.763 -0.908 1.00 0.00 C ATOM 540 O CYS A 38 4.729 -1.378 -0.977 1.00 0.00 O ATOM 541 CB CYS A 38 7.607 -2.424 -1.370 1.00 0.00 C ATOM 542 SG CYS A 38 8.489 -1.646 -2.761 1.00 0.00 S ATOM 0 H CYS A 38 6.121 -2.894 0.829 1.00 0.00 H new ATOM 0 HA CYS A 38 7.794 -0.657 -0.159 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.286 -3.108 -0.860 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.787 -3.024 -1.764 1.00 0.00 H new ATOM 0 HG CYS A 38 9.577 -2.312 -3.012 1.00 0.00 H new ATOM 547 N ARG A 39 5.927 0.498 -1.306 1.00 0.00 N ATOM 548 CA ARG A 39 4.805 1.249 -1.857 1.00 0.00 C ATOM 549 C ARG A 39 4.384 0.682 -3.209 1.00 0.00 C ATOM 550 O ARG A 39 3.204 0.696 -3.560 1.00 0.00 O ATOM 551 CB ARG A 39 5.175 2.726 -2.003 1.00 0.00 C ATOM 552 CG ARG A 39 5.571 3.387 -0.694 1.00 0.00 C ATOM 553 CD ARG A 39 5.974 4.839 -0.902 1.00 0.00 C ATOM 554 NE ARG A 39 6.724 5.367 0.234 1.00 0.00 N ATOM 555 CZ ARG A 39 7.515 6.432 0.161 1.00 0.00 C ATOM 556 NH1 ARG A 39 7.657 7.079 -0.988 1.00 0.00 N ATOM 557 NH2 ARG A 39 8.165 6.852 1.239 1.00 0.00 N ATOM 0 H ARG A 39 6.801 1.021 -1.257 1.00 0.00 H new ATOM 0 HA ARG A 39 3.966 1.159 -1.168 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.000 2.817 -2.710 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.328 3.263 -2.430 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.738 3.336 0.007 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.399 2.839 -0.245 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.578 4.922 -1.805 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.081 5.444 -1.060 1.00 0.00 H new ATOM 0 HE ARG A 39 6.636 4.892 1.133 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.158 6.759 -1.818 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.265 7.896 -1.041 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.058 6.357 2.124 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.772 7.670 1.182 1.00 0.00 H new ATOM 571 N PHE A 40 5.357 0.184 -3.965 1.00 0.00 N ATOM 572 CA PHE A 40 5.088 -0.386 -5.280 1.00 0.00 C ATOM 573 C PHE A 40 4.429 -1.757 -5.154 1.00 0.00 C ATOM 574 O PHE A 40 4.817 -2.569 -4.314 1.00 0.00 O ATOM 575 CB PHE A 40 6.384 -0.503 -6.084 1.00 0.00 C ATOM 576 CG PHE A 40 7.207 0.754 -6.080 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.626 1.979 -6.367 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.561 0.710 -5.790 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.380 3.137 -6.364 1.00 0.00 C ATOM 580 CE2 PHE A 40 9.320 1.865 -5.785 1.00 0.00 C ATOM 581 CZ PHE A 40 8.729 3.080 -6.073 1.00 0.00 C ATOM 0 H PHE A 40 6.339 0.164 -3.689 1.00 0.00 H new ATOM 0 HA PHE A 40 4.403 0.281 -5.804 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.981 -1.320 -5.679 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.141 -0.766 -7.114 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.572 2.029 -6.596 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.029 -0.237 -5.565 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.915 4.085 -6.589 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.374 1.818 -5.556 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.321 3.984 -6.071 1.00 0.00 H new ATOM 591 N ALA A 41 3.431 -2.007 -5.995 1.00 0.00 N ATOM 592 CA ALA A 41 2.720 -3.279 -5.979 1.00 0.00 C ATOM 593 C ALA A 41 3.579 -4.396 -6.562 1.00 0.00 C ATOM 594 O ALA A 41 4.307 -4.191 -7.533 1.00 0.00 O ATOM 595 CB ALA A 41 1.412 -3.162 -6.748 1.00 0.00 C ATOM 0 H ALA A 41 3.097 -1.345 -6.696 1.00 0.00 H new ATOM 0 HA ALA A 41 2.499 -3.530 -4.942 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.891 -4.119 -6.728 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.786 -2.399 -6.287 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.621 -2.884 -7.781 1.00 0.00 H new ATOM 601 N HIS A 42 3.490 -5.579 -5.961 1.00 0.00 N ATOM 602 CA HIS A 42 4.261 -6.729 -6.421 1.00 0.00 C ATOM 603 C HIS A 42 3.350 -7.773 -7.059 1.00 0.00 C ATOM 604 O HIS A 42 2.685 -8.553 -6.376 1.00 0.00 O ATOM 605 CB HIS A 42 5.032 -7.351 -5.256 1.00 0.00 C ATOM 606 CG HIS A 42 6.101 -6.461 -4.702 1.00 0.00 C ATOM 607 ND1 HIS A 42 6.260 -5.119 -4.774 1.00 0.00 N flip ATOM 608 CD2 HIS A 42 7.171 -6.934 -3.973 1.00 0.00 C flip ATOM 609 CE1 HIS A 42 7.412 -4.808 -4.094 1.00 0.00 C flip ATOM 610 NE2 HIS A 42 7.943 -5.921 -3.620 1.00 0.00 N flip ATOM 0 H HIS A 42 2.893 -5.766 -5.156 1.00 0.00 H new ATOM 0 HA HIS A 42 4.970 -6.383 -7.173 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.331 -7.602 -4.460 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.485 -8.285 -5.588 1.00 0.00 H new ATOM 0 HD2 HIS A 42 7.350 -7.971 -3.728 1.00 0.00 H new ATOM 0 HE1 HIS A 42 7.818 -3.815 -3.967 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.802 -5.987 -3.075 1.00 0.00 H new ATOM 618 N PRO A 43 3.315 -7.790 -8.400 1.00 0.00 N ATOM 619 CA PRO A 43 2.489 -8.733 -9.159 1.00 0.00 C ATOM 620 C PRO A 43 3.002 -10.165 -9.057 1.00 0.00 C ATOM 621 O PRO A 43 4.034 -10.508 -9.634 1.00 0.00 O ATOM 622 CB PRO A 43 2.604 -8.225 -10.599 1.00 0.00 C ATOM 623 CG PRO A 43 3.902 -7.497 -10.641 1.00 0.00 C ATOM 624 CD PRO A 43 4.081 -6.889 -9.278 1.00 0.00 C ATOM 0 HA PRO A 43 1.466 -8.771 -8.786 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.589 -9.049 -11.312 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.773 -7.568 -10.854 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.722 -8.175 -10.876 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.893 -6.728 -11.413 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.132 -6.846 -8.992 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.698 -5.869 -9.239 1.00 0.00 H new ATOM 696 N ILE A 49 1.070 -7.061 -16.750 1.00 0.00 N ATOM 697 CA ILE A 49 2.052 -5.985 -16.687 1.00 0.00 C ATOM 698 C ILE A 49 2.378 -5.456 -18.079 1.00 0.00 C ATOM 699 O ILE A 49 2.658 -6.227 -18.998 1.00 0.00 O ATOM 700 CB ILE A 49 3.354 -6.451 -16.009 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.071 -6.924 -14.581 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.381 -5.329 -16.007 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.247 -7.616 -13.929 1.00 0.00 C ATOM 0 HA ILE A 49 1.608 -5.186 -16.093 1.00 0.00 H new ATOM 0 HB ILE A 49 3.761 -7.289 -16.575 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.782 -6.066 -13.973 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.221 -7.606 -14.595 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.296 -5.674 -15.524 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.601 -5.035 -17.033 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.984 -4.473 -15.462 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.974 -7.924 -12.920 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.523 -8.493 -14.514 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.093 -6.930 -13.883 1.00 0.00 H new ATOM 715 N ASP A 50 2.342 -4.137 -18.228 1.00 0.00 N ATOM 716 CA ASP A 50 2.636 -3.504 -19.508 1.00 0.00 C ATOM 717 C ASP A 50 4.084 -3.026 -19.558 1.00 0.00 C ATOM 718 O ASP A 50 4.524 -2.252 -18.707 1.00 0.00 O ATOM 719 CB ASP A 50 1.690 -2.327 -19.749 1.00 0.00 C ATOM 720 CG ASP A 50 1.424 -2.089 -21.223 1.00 0.00 C ATOM 721 OD1 ASP A 50 1.396 -3.076 -21.987 1.00 0.00 O ATOM 722 OD2 ASP A 50 1.244 -0.916 -21.611 1.00 0.00 O ATOM 0 H ASP A 50 2.112 -3.485 -17.478 1.00 0.00 H new ATOM 0 HA ASP A 50 2.489 -4.245 -20.294 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.745 -2.514 -19.238 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.117 -1.426 -19.310 1.00 0.00 H new ATOM 727 N THR A 51 4.822 -3.493 -20.560 1.00 0.00 N ATOM 728 CA THR A 51 6.221 -3.116 -20.720 1.00 0.00 C ATOM 729 C THR A 51 6.350 -1.702 -21.274 1.00 0.00 C ATOM 730 O THR A 51 7.451 -1.239 -21.571 1.00 0.00 O ATOM 731 CB THR A 51 6.962 -4.091 -21.654 1.00 0.00 C ATOM 732 OG1 THR A 51 6.382 -4.051 -22.963 1.00 0.00 O ATOM 733 CG2 THR A 51 6.905 -5.511 -21.111 1.00 0.00 C ATOM 0 H THR A 51 4.474 -4.133 -21.273 1.00 0.00 H new ATOM 0 HA THR A 51 6.675 -3.158 -19.730 1.00 0.00 H new ATOM 0 HB THR A 51 8.006 -3.783 -21.710 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.860 -4.672 -23.552 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.435 -6.181 -21.788 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.374 -5.544 -20.127 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.865 -5.827 -21.028 1.00 0.00 H new ATOM 741 N SER A 52 5.217 -1.019 -21.409 1.00 0.00 N ATOM 742 CA SER A 52 5.203 0.342 -21.931 1.00 0.00 C ATOM 743 C SER A 52 5.201 1.360 -20.793 1.00 0.00 C ATOM 744 O SER A 52 5.863 2.394 -20.870 1.00 0.00 O ATOM 745 CB SER A 52 3.980 0.557 -22.824 1.00 0.00 C ATOM 746 OG SER A 52 4.081 1.773 -23.544 1.00 0.00 O ATOM 0 H SER A 52 4.298 -1.386 -21.164 1.00 0.00 H new ATOM 0 HA SER A 52 6.106 0.486 -22.524 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.884 -0.275 -23.521 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.077 0.566 -22.213 1.00 0.00 H new ATOM 0 HG SER A 52 3.288 1.886 -24.108 1.00 0.00 H new ATOM 752 N ASP A 53 4.451 1.057 -19.739 1.00 0.00 N ATOM 753 CA ASP A 53 4.362 1.944 -18.585 1.00 0.00 C ATOM 754 C ASP A 53 4.795 1.223 -17.312 1.00 0.00 C ATOM 755 O ASP A 53 5.347 1.835 -16.398 1.00 0.00 O ATOM 756 CB ASP A 53 2.934 2.469 -18.427 1.00 0.00 C ATOM 757 CG ASP A 53 2.524 3.381 -19.566 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.172 4.434 -19.745 1.00 0.00 O ATOM 759 OD2 ASP A 53 1.555 3.044 -20.278 1.00 0.00 O ATOM 0 H ASP A 53 3.896 0.205 -19.660 1.00 0.00 H new ATOM 0 HA ASP A 53 5.034 2.786 -18.752 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.244 1.627 -18.373 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.851 3.010 -17.484 1.00 0.00 H new ATOM 764 N ASN A 54 4.541 -0.080 -17.260 1.00 0.00 N ATOM 765 CA ASN A 54 4.903 -0.884 -16.098 1.00 0.00 C ATOM 766 C ASN A 54 3.972 -0.595 -14.924 1.00 0.00 C ATOM 767 O ASN A 54 4.414 -0.481 -13.780 1.00 0.00 O ATOM 768 CB ASN A 54 6.353 -0.609 -15.694 1.00 0.00 C ATOM 769 CG ASN A 54 7.011 -1.812 -15.047 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.812 -2.949 -15.477 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.800 -1.567 -14.007 1.00 0.00 N ATOM 0 H ASN A 54 4.086 -0.602 -18.009 1.00 0.00 H new ATOM 0 HA ASN A 54 4.801 -1.935 -16.368 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.924 -0.317 -16.575 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.381 0.233 -15.002 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.270 -2.337 -13.531 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.936 -0.609 -13.685 1.00 0.00 H new ATOM 778 N THR A 55 2.680 -0.477 -15.216 1.00 0.00 N ATOM 779 CA THR A 55 1.687 -0.201 -14.186 1.00 0.00 C ATOM 780 C THR A 55 0.532 -1.192 -14.256 1.00 0.00 C ATOM 781 O THR A 55 0.153 -1.644 -15.337 1.00 0.00 O ATOM 782 CB THR A 55 1.129 1.230 -14.313 1.00 0.00 C ATOM 783 OG1 THR A 55 0.677 1.462 -15.651 1.00 0.00 O ATOM 784 CG2 THR A 55 2.188 2.258 -13.944 1.00 0.00 C ATOM 0 H THR A 55 2.298 -0.568 -16.157 1.00 0.00 H new ATOM 0 HA THR A 55 2.192 -0.303 -13.225 1.00 0.00 H new ATOM 0 HB THR A 55 0.291 1.332 -13.624 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.322 2.373 -15.723 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.771 3.261 -14.041 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.509 2.097 -12.915 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.044 2.155 -14.611 1.00 0.00 H new ATOM 792 N VAL A 56 -0.026 -1.527 -13.097 1.00 0.00 N ATOM 793 CA VAL A 56 -1.141 -2.465 -13.027 1.00 0.00 C ATOM 794 C VAL A 56 -2.422 -1.764 -12.587 1.00 0.00 C ATOM 795 O VAL A 56 -2.386 -0.810 -11.810 1.00 0.00 O ATOM 796 CB VAL A 56 -0.841 -3.621 -12.055 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.346 -4.436 -12.544 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.591 -3.086 -10.653 1.00 0.00 C ATOM 0 H VAL A 56 0.276 -1.163 -12.193 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.278 -2.870 -14.030 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.710 -4.277 -12.019 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.543 -5.248 -11.844 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.123 -4.850 -13.527 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.225 -3.795 -12.612 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.381 -3.916 -9.979 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.261 -2.407 -10.669 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.475 -2.551 -10.305 1.00 0.00 H new ATOM 808 N THR A 57 -3.555 -2.244 -13.090 1.00 0.00 N ATOM 809 CA THR A 57 -4.848 -1.664 -12.750 1.00 0.00 C ATOM 810 C THR A 57 -5.199 -1.922 -11.289 1.00 0.00 C ATOM 811 O THR A 57 -4.742 -2.898 -10.693 1.00 0.00 O ATOM 812 CB THR A 57 -5.969 -2.229 -13.643 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.584 -2.151 -15.020 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.267 -1.465 -13.430 1.00 0.00 C ATOM 0 H THR A 57 -3.603 -3.033 -13.734 1.00 0.00 H new ATOM 0 HA THR A 57 -4.767 -0.590 -12.917 1.00 0.00 H new ATOM 0 HB THR A 57 -6.131 -3.272 -13.370 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.301 -2.514 -15.581 1.00 0.00 H new ATOM 0 HG21 THR A 57 -8.044 -1.882 -14.071 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.573 -1.550 -12.387 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.116 -0.415 -13.679 1.00 0.00 H new ATOM 822 N VAL A 58 -6.014 -1.042 -10.717 1.00 0.00 N ATOM 823 CA VAL A 58 -6.429 -1.175 -9.326 1.00 0.00 C ATOM 824 C VAL A 58 -7.940 -1.344 -9.216 1.00 0.00 C ATOM 825 O VAL A 58 -8.706 -0.548 -9.761 1.00 0.00 O ATOM 826 CB VAL A 58 -5.997 0.046 -8.492 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.508 -0.074 -7.064 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.484 0.199 -8.515 1.00 0.00 C ATOM 0 H VAL A 58 -6.400 -0.229 -11.196 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.938 -2.066 -8.933 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.436 0.940 -8.935 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.193 0.798 -6.490 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.597 -0.130 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.101 -0.976 -6.607 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.197 1.067 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.021 -0.696 -8.098 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.148 0.336 -9.543 1.00 0.00 H new ATOM 838 N CYS A 59 -8.363 -2.385 -8.507 1.00 0.00 N ATOM 839 CA CYS A 59 -9.784 -2.659 -8.325 1.00 0.00 C ATOM 840 C CYS A 59 -10.429 -1.610 -7.424 1.00 0.00 C ATOM 841 O CYS A 59 -10.187 -1.579 -6.218 1.00 0.00 O ATOM 842 CB CYS A 59 -9.982 -4.053 -7.726 1.00 0.00 C ATOM 843 SG CYS A 59 -11.725 -4.567 -7.599 1.00 0.00 S ATOM 0 H CYS A 59 -7.743 -3.053 -8.049 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.265 -2.618 -9.302 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.444 -4.779 -8.336 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.534 -4.077 -6.733 1.00 0.00 H new ATOM 0 HG CYS A 59 -11.874 -5.735 -8.151 1.00 0.00 H new ATOM 848 N MET A 60 -11.252 -0.753 -8.020 1.00 0.00 N ATOM 849 CA MET A 60 -11.933 0.297 -7.271 1.00 0.00 C ATOM 850 C MET A 60 -12.831 -0.300 -6.192 1.00 0.00 C ATOM 851 O MET A 60 -12.720 0.048 -5.017 1.00 0.00 O ATOM 852 CB MET A 60 -12.762 1.170 -8.215 1.00 0.00 C ATOM 853 CG MET A 60 -13.679 2.145 -7.494 1.00 0.00 C ATOM 854 SD MET A 60 -12.867 2.968 -6.111 1.00 0.00 S ATOM 855 CE MET A 60 -11.429 3.660 -6.925 1.00 0.00 C ATOM 0 H MET A 60 -11.463 -0.765 -9.018 1.00 0.00 H new ATOM 0 HA MET A 60 -11.175 0.914 -6.788 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.089 1.730 -8.864 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.363 0.527 -8.858 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.033 2.895 -8.201 1.00 0.00 H new ATOM 0 HG3 MET A 60 -14.556 1.611 -7.130 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.205 4.638 -6.498 1.00 0.00 H new ATOM 0 HE2 MET A 60 -10.576 2.997 -6.782 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.630 3.767 -7.991 1.00 0.00 H new ATOM 865 N ASP A 61 -13.720 -1.199 -6.600 1.00 0.00 N ATOM 866 CA ASP A 61 -14.637 -1.845 -5.667 1.00 0.00 C ATOM 867 C ASP A 61 -13.893 -2.347 -4.434 1.00 0.00 C ATOM 868 O ASP A 61 -14.217 -1.973 -3.306 1.00 0.00 O ATOM 869 CB ASP A 61 -15.358 -3.008 -6.351 1.00 0.00 C ATOM 870 CG ASP A 61 -16.525 -2.545 -7.201 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.599 -1.335 -7.498 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.365 -3.394 -7.569 1.00 0.00 O ATOM 0 H ASP A 61 -13.825 -1.497 -7.570 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.373 -1.107 -5.349 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.651 -3.553 -6.976 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.717 -3.705 -5.594 1.00 0.00 H new ATOM 877 N TYR A 62 -12.896 -3.196 -4.655 1.00 0.00 N ATOM 878 CA TYR A 62 -12.108 -3.752 -3.562 1.00 0.00 C ATOM 879 C TYR A 62 -11.676 -2.657 -2.590 1.00 0.00 C ATOM 880 O TYR A 62 -11.869 -2.775 -1.380 1.00 0.00 O ATOM 881 CB TYR A 62 -10.878 -4.478 -4.109 1.00 0.00 C ATOM 882 CG TYR A 62 -10.004 -5.084 -3.034 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.545 -5.904 -2.051 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.637 -4.837 -3.001 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.751 -6.459 -1.067 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.835 -5.389 -2.021 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.397 -6.199 -1.056 1.00 0.00 C ATOM 888 OH TYR A 62 -7.602 -6.751 -0.078 1.00 0.00 O ATOM 0 H TYR A 62 -12.614 -3.514 -5.582 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.733 -4.465 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.204 -5.266 -4.788 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.284 -3.777 -4.696 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.605 -6.111 -2.057 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.194 -4.203 -3.754 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.188 -7.093 -0.310 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.774 -5.188 -2.010 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.673 -6.470 -0.214 1.00 0.00 H new ATOM 898 N ILE A 63 -11.090 -1.594 -3.130 1.00 0.00 N ATOM 899 CA ILE A 63 -10.632 -0.477 -2.313 1.00 0.00 C ATOM 900 C ILE A 63 -11.697 -0.061 -1.304 1.00 0.00 C ATOM 901 O ILE A 63 -11.397 0.192 -0.137 1.00 0.00 O ATOM 902 CB ILE A 63 -10.259 0.740 -3.180 1.00 0.00 C ATOM 903 CG1 ILE A 63 -8.979 0.458 -3.970 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.091 1.977 -2.312 1.00 0.00 C ATOM 905 CD1 ILE A 63 -7.818 0.022 -3.104 1.00 0.00 C ATOM 0 H ILE A 63 -10.921 -1.483 -4.130 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.744 -0.819 -1.781 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.067 0.924 -3.888 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.181 -0.317 -4.709 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.695 1.356 -4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.827 2.829 -2.939 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.025 2.185 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.299 1.805 -1.583 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -6.945 -0.160 -3.731 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.589 0.805 -2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.082 -0.894 -2.575 1.00 0.00 H new ATOM 917 N LYS A 64 -12.943 0.006 -1.761 1.00 0.00 N ATOM 918 CA LYS A 64 -14.055 0.388 -0.898 1.00 0.00 C ATOM 919 C LYS A 64 -14.259 -0.637 0.213 1.00 0.00 C ATOM 920 O LYS A 64 -14.765 -0.311 1.286 1.00 0.00 O ATOM 921 CB LYS A 64 -15.339 0.529 -1.719 1.00 0.00 C ATOM 922 CG LYS A 64 -15.367 1.769 -2.596 1.00 0.00 C ATOM 923 CD LYS A 64 -16.705 1.922 -3.301 1.00 0.00 C ATOM 924 CE LYS A 64 -17.703 2.684 -2.443 1.00 0.00 C ATOM 925 NZ LYS A 64 -19.000 2.884 -3.146 1.00 0.00 N ATOM 0 H LYS A 64 -13.208 -0.199 -2.724 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.815 1.348 -0.442 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.457 -0.353 -2.348 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.193 0.554 -1.042 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.173 2.652 -1.987 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.569 1.711 -3.336 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.562 2.446 -4.246 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.106 0.937 -3.540 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.874 2.140 -1.514 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.284 3.653 -2.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -19.653 3.407 -2.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.841 3.426 -4.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.413 1.959 -3.382 1.00 0.00 H new ATOM 939 N GLY A 65 -13.859 -1.877 -0.052 1.00 0.00 N ATOM 940 CA GLY A 65 -14.006 -2.930 0.936 1.00 0.00 C ATOM 941 C GLY A 65 -14.819 -4.101 0.420 1.00 0.00 C ATOM 942 O GLY A 65 -14.727 -5.210 0.947 1.00 0.00 O ATOM 0 H GLY A 65 -13.436 -2.171 -0.932 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.019 -3.282 1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.485 -2.524 1.827 1.00 0.00 H new ATOM 946 N ARG A 66 -15.619 -3.854 -0.613 1.00 0.00 N ATOM 947 CA ARG A 66 -16.454 -4.895 -1.198 1.00 0.00 C ATOM 948 C ARG A 66 -16.157 -5.059 -2.686 1.00 0.00 C ATOM 949 O ARG A 66 -16.499 -4.198 -3.497 1.00 0.00 O ATOM 950 CB ARG A 66 -17.935 -4.565 -0.997 1.00 0.00 C ATOM 951 CG ARG A 66 -18.313 -3.164 -1.448 1.00 0.00 C ATOM 952 CD ARG A 66 -19.742 -2.821 -1.060 1.00 0.00 C ATOM 953 NE ARG A 66 -20.708 -3.304 -2.043 1.00 0.00 N ATOM 954 CZ ARG A 66 -21.120 -2.587 -3.083 1.00 0.00 C ATOM 955 NH1 ARG A 66 -20.652 -1.362 -3.274 1.00 0.00 N ATOM 956 NH2 ARG A 66 -22.000 -3.097 -3.935 1.00 0.00 N ATOM 0 H ARG A 66 -15.706 -2.942 -1.061 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.226 -5.834 -0.693 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.538 -5.289 -1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.184 -4.677 0.058 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -17.630 -2.441 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.200 -3.086 -2.529 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.967 -3.256 -0.086 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -19.840 -1.740 -0.957 1.00 0.00 H new ATOM 0 HE ARG A 66 -21.087 -4.243 -1.925 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.974 -0.968 -2.622 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.970 -0.814 -4.073 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -22.361 -4.040 -3.792 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.316 -2.546 -4.733 1.00 0.00 H new ATOM 970 N CYS A 67 -15.517 -6.169 -3.037 1.00 0.00 N ATOM 971 CA CYS A 67 -15.171 -6.446 -4.426 1.00 0.00 C ATOM 972 C CYS A 67 -15.954 -7.646 -4.952 1.00 0.00 C ATOM 973 O CYS A 67 -15.626 -8.794 -4.652 1.00 0.00 O ATOM 974 CB CYS A 67 -13.669 -6.705 -4.558 1.00 0.00 C ATOM 975 SG CYS A 67 -13.211 -7.693 -6.018 1.00 0.00 S ATOM 0 H CYS A 67 -15.227 -6.892 -2.378 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.435 -5.572 -5.022 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.149 -5.748 -4.602 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.319 -7.217 -3.662 1.00 0.00 H new ATOM 0 HG CYS A 67 -13.979 -8.739 -6.092 1.00 0.00 H new ATOM 980 N MET A 68 -16.989 -7.372 -5.739 1.00 0.00 N ATOM 981 CA MET A 68 -17.817 -8.429 -6.308 1.00 0.00 C ATOM 982 C MET A 68 -18.047 -8.197 -7.798 1.00 0.00 C ATOM 983 O MET A 68 -19.067 -8.610 -8.350 1.00 0.00 O ATOM 984 CB MET A 68 -19.160 -8.502 -5.579 1.00 0.00 C ATOM 985 CG MET A 68 -20.098 -7.354 -5.914 1.00 0.00 C ATOM 986 SD MET A 68 -21.631 -7.409 -4.967 1.00 0.00 S ATOM 987 CE MET A 68 -22.653 -6.281 -5.911 1.00 0.00 C ATOM 0 H MET A 68 -17.274 -6.427 -5.997 1.00 0.00 H new ATOM 0 HA MET A 68 -17.291 -9.375 -6.182 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.649 -9.444 -5.829 1.00 0.00 H new ATOM 0 HB3 MET A 68 -18.980 -8.511 -4.504 1.00 0.00 H new ATOM 0 HG2 MET A 68 -19.591 -6.408 -5.722 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.332 -7.380 -6.978 1.00 0.00 H new ATOM 0 HE1 MET A 68 -23.637 -6.208 -5.449 1.00 0.00 H new ATOM 0 HE2 MET A 68 -22.187 -5.296 -5.929 1.00 0.00 H new ATOM 0 HE3 MET A 68 -22.757 -6.651 -6.931 1.00 0.00 H new ATOM 997 N ARG A 69 -17.092 -7.534 -8.443 1.00 0.00 N ATOM 998 CA ARG A 69 -17.192 -7.247 -9.869 1.00 0.00 C ATOM 999 C ARG A 69 -17.291 -8.536 -10.678 1.00 0.00 C ATOM 1000 O ARG A 69 -17.035 -9.624 -10.163 1.00 0.00 O ATOM 1001 CB ARG A 69 -15.982 -6.433 -10.332 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.186 -4.930 -10.235 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.326 -4.185 -11.244 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.930 -2.918 -11.649 1.00 0.00 N ATOM 1005 CZ ARG A 69 -15.965 -1.840 -10.874 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -15.433 -1.874 -9.660 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -16.532 -0.724 -11.314 1.00 0.00 N ATOM 0 H ARG A 69 -16.241 -7.186 -8.001 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.099 -6.665 -10.034 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.116 -6.713 -9.733 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.753 -6.694 -11.365 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.236 -4.693 -10.405 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.942 -4.593 -9.228 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -14.343 -3.996 -10.813 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.174 -4.811 -12.123 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.348 -2.858 -12.578 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -14.995 -2.730 -9.319 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.462 -1.044 -9.067 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.941 -0.694 -12.248 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -16.559 0.104 -10.718 1.00 0.00 H new ATOM 1021 N GLU A 70 -17.663 -8.405 -11.947 1.00 0.00 N ATOM 1022 CA GLU A 70 -17.797 -9.561 -12.826 1.00 0.00 C ATOM 1023 C GLU A 70 -16.430 -10.043 -13.304 1.00 0.00 C ATOM 1024 O GLU A 70 -15.781 -9.393 -14.123 1.00 0.00 O ATOM 1025 CB GLU A 70 -18.677 -9.215 -14.030 1.00 0.00 C ATOM 1026 CG GLU A 70 -19.450 -10.402 -14.579 1.00 0.00 C ATOM 1027 CD GLU A 70 -20.355 -11.040 -13.543 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -20.944 -10.297 -12.731 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -20.473 -12.283 -13.545 1.00 0.00 O ATOM 0 H GLU A 70 -17.877 -7.511 -12.389 1.00 0.00 H new ATOM 0 HA GLU A 70 -18.268 -10.364 -12.259 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.382 -8.435 -13.742 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.050 -8.803 -14.821 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -20.050 -10.078 -15.429 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -18.747 -11.148 -14.950 1.00 0.00 H new ATOM 1036 N LYS A 71 -15.998 -11.187 -12.784 1.00 0.00 N ATOM 1037 CA LYS A 71 -14.709 -11.758 -13.156 1.00 0.00 C ATOM 1038 C LYS A 71 -13.581 -10.761 -12.910 1.00 0.00 C ATOM 1039 O LYS A 71 -12.708 -10.575 -13.758 1.00 0.00 O ATOM 1040 CB LYS A 71 -14.720 -12.180 -14.627 1.00 0.00 C ATOM 1041 CG LYS A 71 -15.177 -13.612 -14.846 1.00 0.00 C ATOM 1042 CD LYS A 71 -16.634 -13.798 -14.459 1.00 0.00 C ATOM 1043 CE LYS A 71 -16.974 -15.267 -14.258 1.00 0.00 C ATOM 1044 NZ LYS A 71 -16.533 -15.761 -12.925 1.00 0.00 N ATOM 0 H LYS A 71 -16.522 -11.737 -12.103 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.536 -12.636 -12.534 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.375 -11.509 -15.184 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.718 -12.061 -15.038 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.040 -13.882 -15.893 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.555 -14.287 -14.259 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -16.841 -13.247 -13.542 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.274 -13.378 -15.235 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.050 -15.408 -14.360 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.500 -15.860 -15.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -16.783 -16.766 -12.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.503 -15.650 -12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.005 -15.213 -12.178 1.00 0.00 H new ATOM 1058 N CYS A 72 -13.604 -10.124 -11.745 1.00 0.00 N ATOM 1059 CA CYS A 72 -12.583 -9.147 -11.386 1.00 0.00 C ATOM 1060 C CYS A 72 -11.220 -9.559 -11.934 1.00 0.00 C ATOM 1061 O CYS A 72 -10.689 -10.613 -11.581 1.00 0.00 O ATOM 1062 CB CYS A 72 -12.509 -8.991 -9.866 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.269 -7.781 -9.303 1.00 0.00 S ATOM 0 H CYS A 72 -14.319 -10.267 -11.032 1.00 0.00 H new ATOM 0 HA CYS A 72 -12.859 -8.190 -11.829 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.489 -8.691 -9.494 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -12.283 -9.961 -9.422 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.015 -7.975 -8.043 1.00 0.00 H new ATOM 1068 N LYS A 73 -10.658 -8.721 -12.798 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.356 -8.995 -13.394 1.00 0.00 C ATOM 1070 C LYS A 73 -8.380 -7.857 -13.117 1.00 0.00 C ATOM 1071 O LYS A 73 -7.654 -7.418 -14.009 1.00 0.00 O ATOM 1072 CB LYS A 73 -9.497 -9.204 -14.904 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.112 -8.018 -15.627 1.00 0.00 C ATOM 1074 CD LYS A 73 -9.722 -7.996 -17.095 1.00 0.00 C ATOM 1075 CE LYS A 73 -9.886 -6.608 -17.695 1.00 0.00 C ATOM 1076 NZ LYS A 73 -10.202 -6.666 -19.149 1.00 0.00 N ATOM 0 H LYS A 73 -11.084 -7.845 -13.101 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.962 -9.906 -12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.513 -9.407 -15.328 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.110 -10.087 -15.085 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.198 -8.060 -15.539 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.789 -7.093 -15.150 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -8.687 -8.320 -17.202 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -10.337 -8.707 -17.647 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.681 -6.078 -17.171 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -8.970 -6.037 -17.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -10.306 -5.700 -19.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.431 -7.150 -19.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -11.090 -7.189 -19.291 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.366 -7.385 -11.875 1.00 0.00 N ATOM 1091 CA TYR A 74 -7.479 -6.297 -11.481 1.00 0.00 C ATOM 1092 C TYR A 74 -6.658 -6.681 -10.254 1.00 0.00 C ATOM 1093 O TYR A 74 -7.027 -7.584 -9.503 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.288 -5.031 -11.191 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.339 -4.731 -12.236 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -9.004 -4.650 -13.582 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -10.666 -4.529 -11.877 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -9.961 -4.375 -14.540 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -11.629 -4.255 -12.829 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.272 -4.179 -14.159 1.00 0.00 C ATOM 1101 OH TYR A 74 -12.228 -3.906 -15.110 1.00 0.00 O ATOM 0 H TYR A 74 -8.959 -7.739 -11.124 1.00 0.00 H new ATOM 0 HA TYR A 74 -6.795 -6.102 -12.307 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -8.772 -5.134 -10.220 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -7.607 -4.183 -11.119 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -7.979 -4.805 -13.884 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -10.949 -4.587 -10.836 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.684 -4.314 -15.582 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.656 -4.101 -12.533 1.00 0.00 H new ATOM 0 HH TYR A 74 -13.100 -3.796 -14.676 1.00 0.00 H new ATOM 1111 N PHE A 75 -5.541 -5.988 -10.057 1.00 0.00 N ATOM 1112 CA PHE A 75 -4.665 -6.255 -8.922 1.00 0.00 C ATOM 1113 C PHE A 75 -5.307 -5.790 -7.619 1.00 0.00 C ATOM 1114 O PHE A 75 -6.013 -4.781 -7.586 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.317 -5.559 -9.117 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.449 -5.581 -7.891 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -1.649 -6.677 -7.611 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.434 -4.505 -7.018 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -0.849 -6.700 -6.484 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.636 -4.522 -5.890 1.00 0.00 C ATOM 1121 CZ PHE A 75 -0.843 -5.621 -5.622 1.00 0.00 C ATOM 0 H PHE A 75 -5.221 -5.237 -10.669 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.505 -7.332 -8.863 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -2.785 -6.039 -9.938 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.491 -4.524 -9.411 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -1.650 -7.524 -8.281 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.053 -3.644 -7.221 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.230 -7.560 -6.278 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.632 -3.676 -5.218 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.220 -5.636 -4.740 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.058 -6.533 -6.545 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.612 -6.198 -5.238 1.00 0.00 C ATOM 1133 C HIS A 76 -4.505 -5.806 -4.264 1.00 0.00 C ATOM 1134 O HIS A 76 -3.777 -6.651 -3.741 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.405 -7.379 -4.678 1.00 0.00 C ATOM 1136 CG HIS A 76 -7.825 -7.424 -5.151 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -8.824 -8.088 -4.470 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.413 -6.881 -6.243 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -9.964 -7.953 -5.124 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -9.742 -7.225 -6.204 1.00 0.00 N ATOM 0 H HIS A 76 -4.476 -7.371 -6.554 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.282 -5.347 -5.362 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -5.907 -8.307 -4.960 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.395 -7.330 -3.589 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -8.702 -8.603 -3.598 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -7.927 -6.288 -7.003 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -10.916 -8.367 -4.826 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.372 -4.495 -4.014 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.356 -3.962 -3.101 1.00 0.00 C ATOM 1150 C PRO A 77 -3.644 -4.310 -1.645 1.00 0.00 C ATOM 1151 O PRO A 77 -4.770 -4.639 -1.271 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.445 -2.449 -3.317 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.836 -2.216 -3.798 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.205 -3.432 -4.601 1.00 0.00 C ATOM 0 HA PRO A 77 -2.369 -4.378 -3.302 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.249 -1.905 -2.393 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.711 -2.110 -4.048 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.521 -2.079 -2.961 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.892 -1.314 -4.407 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.267 -3.662 -4.517 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.992 -3.293 -5.661 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.604 -4.238 -0.802 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.721 -4.542 0.628 1.00 0.00 C ATOM 1164 C PRO A 78 -3.529 -3.490 1.379 1.00 0.00 C ATOM 1165 O PRO A 78 -4.004 -2.520 0.789 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.268 -4.545 1.110 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.547 -3.666 0.147 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.233 -3.854 -1.178 1.00 0.00 C ATOM 0 HA PRO A 78 -3.245 -5.482 0.804 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.188 -4.165 2.129 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.854 -5.553 1.112 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.588 -2.624 0.464 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.507 -3.938 0.083 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.220 -2.939 -1.770 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.749 -4.627 -1.775 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.681 -3.688 2.685 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.430 -2.755 3.517 1.00 0.00 C ATOM 1178 C ALA A 79 -3.792 -1.370 3.500 1.00 0.00 C ATOM 1179 O ALA A 79 -4.378 -0.412 2.996 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.523 -3.278 4.943 1.00 0.00 C ATOM 0 H ALA A 79 -3.295 -4.486 3.189 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.436 -2.668 3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.085 -2.571 5.554 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.031 -4.243 4.944 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.520 -3.395 5.354 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.587 -1.272 4.054 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.869 -0.003 4.103 1.00 0.00 C ATOM 1188 C HIS A 80 -2.058 0.778 2.805 1.00 0.00 C ATOM 1189 O HIS A 80 -2.441 1.948 2.823 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.381 -0.244 4.355 1.00 0.00 C ATOM 1191 CG HIS A 80 0.263 -1.133 3.335 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.931 -0.834 2.197 1.00 0.00 N flip ATOM 1193 CD2 HIS A 80 0.260 -2.509 3.426 1.00 0.00 C flip ATOM 1194 CE1 HIS A 80 1.317 -2.023 1.627 1.00 0.00 C flip ATOM 1195 NE2 HIS A 80 0.900 -3.018 2.389 1.00 0.00 N flip ATOM 0 H HIS A 80 -2.088 -2.056 4.475 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.277 0.586 4.924 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.137 0.715 4.368 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.255 -0.688 5.343 1.00 0.00 H new ATOM 0 HD1 HIS A 80 1.114 0.100 1.831 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.195 -3.081 4.221 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.871 -2.127 0.706 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.786 0.123 1.682 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.924 0.755 0.375 1.00 0.00 C ATOM 1205 C LEU A 81 -3.375 1.144 0.109 1.00 0.00 C ATOM 1206 O LEU A 81 -3.683 2.314 -0.114 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.427 -0.185 -0.724 1.00 0.00 C ATOM 1208 CG LEU A 81 0.072 -0.136 -1.022 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.463 -1.250 -1.980 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.458 1.221 -1.594 1.00 0.00 C ATOM 0 H LEU A 81 -1.469 -0.846 1.650 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.317 1.660 0.371 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.689 -1.206 -0.447 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.967 0.044 -1.642 1.00 0.00 H new ATOM 0 HG LEU A 81 0.613 -0.282 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.533 -1.199 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.223 -2.215 -1.533 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.087 -1.136 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.528 1.238 -1.800 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.092 1.396 -2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.215 2.002 -0.874 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.262 0.154 0.137 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.681 0.394 -0.100 1.00 0.00 C ATOM 1224 C GLN A 82 -6.103 1.750 0.454 1.00 0.00 C ATOM 1225 O GLN A 82 -6.904 2.458 -0.157 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.520 -0.715 0.539 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.725 -1.920 -0.365 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.701 -2.924 0.214 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.884 -2.928 -0.130 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -7.211 -3.784 1.099 1.00 0.00 N ATOM 0 H GLN A 82 -4.024 -0.820 0.321 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.850 0.394 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -6.036 -1.040 1.460 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.493 -0.309 0.816 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.089 -1.583 -1.336 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.766 -2.409 -0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.225 -3.745 1.355 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.821 -4.483 1.522 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.560 2.106 1.613 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.880 3.379 2.248 1.00 0.00 C ATOM 1241 C ALA A 83 -5.226 4.541 1.508 1.00 0.00 C ATOM 1242 O ALA A 83 -5.902 5.478 1.081 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.443 3.366 3.705 1.00 0.00 C ATOM 0 H ALA A 83 -4.896 1.531 2.132 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.960 3.517 2.205 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.688 4.322 4.167 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.960 2.565 4.233 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.367 3.201 3.761 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.908 4.475 1.359 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.162 5.521 0.670 1.00 0.00 C ATOM 1251 C LYS A 84 -3.958 6.070 -0.510 1.00 0.00 C ATOM 1252 O LYS A 84 -3.994 7.280 -0.736 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.816 4.979 0.183 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.688 5.163 1.183 1.00 0.00 C ATOM 1255 CD LYS A 84 0.648 5.361 0.488 1.00 0.00 C ATOM 1256 CE LYS A 84 1.038 4.139 -0.329 1.00 0.00 C ATOM 1257 NZ LYS A 84 2.368 4.306 -0.978 1.00 0.00 N ATOM 0 H LYS A 84 -3.334 3.707 1.707 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.986 6.333 1.376 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.921 3.918 -0.042 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.549 5.477 -0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.900 6.024 1.817 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.634 4.292 1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.595 6.233 -0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.419 5.564 1.231 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.057 3.261 0.317 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.282 3.956 -1.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.867 3.394 -0.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.238 4.638 -1.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.928 5.003 -0.447 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.594 5.174 -1.256 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.392 5.570 -2.411 1.00 0.00 C ATOM 1273 C ILE A 85 -6.707 6.209 -1.977 1.00 0.00 C ATOM 1274 O ILE A 85 -7.060 7.298 -2.430 1.00 0.00 O ATOM 1275 CB ILE A 85 -5.694 4.368 -3.325 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.392 3.742 -3.828 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -6.568 4.799 -4.494 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -3.834 2.683 -2.904 1.00 0.00 C ATOM 0 H ILE A 85 -4.573 4.169 -1.082 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.803 6.299 -2.967 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.236 3.618 -2.748 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.566 3.301 -4.810 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.648 4.527 -3.959 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.773 3.939 -5.131 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.507 5.203 -4.116 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.050 5.564 -5.073 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.911 2.283 -3.324 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.628 3.123 -1.928 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.560 1.878 -2.793 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.428 5.525 -1.095 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.703 6.026 -0.596 1.00 0.00 C ATOM 1292 C LYS A 86 -8.585 7.486 -0.171 1.00 0.00 C ATOM 1293 O LYS A 86 -9.336 8.341 -0.640 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.181 5.177 0.583 1.00 0.00 C ATOM 1295 CG LYS A 86 -10.058 4.006 0.174 1.00 0.00 C ATOM 1296 CD LYS A 86 -11.067 3.660 1.257 1.00 0.00 C ATOM 1297 CE LYS A 86 -12.326 3.043 0.668 1.00 0.00 C ATOM 1298 NZ LYS A 86 -13.175 4.058 -0.015 1.00 0.00 N ATOM 0 H LYS A 86 -7.151 4.622 -0.711 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.433 5.959 -1.403 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.313 4.799 1.123 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.735 5.811 1.275 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.583 4.249 -0.750 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.433 3.137 -0.033 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.617 2.965 1.966 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.328 4.560 1.814 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -12.050 2.263 -0.042 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -12.900 2.563 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -14.124 3.664 -0.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -13.249 4.907 0.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -12.745 4.313 -0.927 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.638 7.764 0.719 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.421 9.121 1.205 1.00 0.00 C ATOM 1314 C ALA A 87 -7.446 10.125 0.058 1.00 0.00 C ATOM 1315 O ALA A 87 -8.084 11.173 0.151 1.00 0.00 O ATOM 1316 CB ALA A 87 -6.101 9.207 1.956 1.00 0.00 C ATOM 0 H ALA A 87 -7.009 7.067 1.118 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.232 9.370 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.951 10.226 2.313 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -6.120 8.524 2.805 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.284 8.933 1.288 1.00 0.00 H new