USER MOD reduce.3.24.130724 H: found=0, std=0, add=523, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 515 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 60 CYS SG : rot 124:sc= 1.37 USER MOD Set 1.2: A 68 CYS SG : rot 117:sc= 0.0334 USER MOD Set 1.3: A 73 CYS SG : rot -93:sc= 1.24 USER MOD Set 1.4: A 77 HIS :FLIP no HD1:sc= -1.72 F(o=-0.43,f=0.93) USER MOD Set 2.1: A 26 CYS SG : rot -166:sc= 0.294 USER MOD Set 2.2: A 34 CYS SG : rot -110:sc= -1.01 USER MOD Set 2.3: A 41 CYS SG : rot -154:sc= 0.569 USER MOD Set 2.4: A 45 HIS : no HE2:sc= -2.27 K(o=-2.4,f=-4) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -3.37! C(o=-3.4!,f=-4.1!) USER MOD Single : A 30 GLN : amide:sc= -0.0713 K(o=-0.071,f=-0.75) USER MOD Single : A 33 THR OG1 : rot -59:sc= 1.06 USER MOD Single : A 35 SER OG : rot -52:sc= 0.174 USER MOD Single : A 37 SER OG : rot 180:sc= 0.0139 USER MOD Single : A 42 LYS NZ :NH3+ -112:sc= 0 (180deg=-1.16!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 CYS SG : rot 50:sc= -4.2! USER MOD Single : A 51 GLN : amide:sc= -1.39 X(o=-1.4,f=-0.91) USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 63 SER OG : rot -58:sc= -0.365 USER MOD Single : A 65 LYS NZ :NH3+ 165:sc= -0.026 (180deg=-0.255) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.072 K(o=-0.072,f=-1.9) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 HIS :FLIP no HE2:sc= -12.6! C(o=-14!,f=-13!) USER MOD Single : A 83 LYS NZ :NH3+ 174:sc= -2.41! (180deg=-2.62!) USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -7.97! C(o=-8!,f=-15!) USER MOD ----------------------------------------------------------------- ATOM 192 N LEU A 21 -1.438 7.600 4.486 1.00 0.00 N ATOM 193 CA LEU A 21 -0.773 6.352 4.129 1.00 0.00 C ATOM 194 C LEU A 21 -1.063 5.266 5.160 1.00 0.00 C ATOM 195 O LEU A 21 -0.162 4.543 5.587 1.00 0.00 O ATOM 196 CB LEU A 21 0.737 6.570 4.013 1.00 0.00 C ATOM 197 CG LEU A 21 1.211 7.339 2.779 1.00 0.00 C ATOM 198 CD1 LEU A 21 2.600 7.915 3.010 1.00 0.00 C ATOM 199 CD2 LEU A 21 1.203 6.437 1.553 1.00 0.00 C ATOM 0 HA LEU A 21 -1.162 6.025 3.165 1.00 0.00 H new ATOM 0 HB2 LEU A 21 1.076 7.103 4.901 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.226 5.596 4.020 1.00 0.00 H new ATOM 0 HG LEU A 21 0.522 8.165 2.602 1.00 0.00 H new ATOM 0 HD11 LEU A 21 2.921 8.459 2.121 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.575 8.594 3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.301 7.105 3.212 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.543 7.001 0.684 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.869 5.590 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.191 6.073 1.376 1.00 0.00 H new ATOM 211 N THR A 22 -2.327 5.155 5.555 1.00 0.00 N ATOM 212 CA THR A 22 -2.737 4.157 6.535 1.00 0.00 C ATOM 213 C THR A 22 -3.740 3.177 5.936 1.00 0.00 C ATOM 214 O THR A 22 -4.454 3.506 4.987 1.00 0.00 O ATOM 215 CB THR A 22 -3.361 4.815 7.780 1.00 0.00 C ATOM 216 OG1 THR A 22 -4.188 5.917 7.389 1.00 0.00 O ATOM 217 CG2 THR A 22 -2.280 5.299 8.735 1.00 0.00 C ATOM 0 H THR A 22 -3.085 5.744 5.211 1.00 0.00 H new ATOM 0 HA THR A 22 -1.837 3.617 6.831 1.00 0.00 H new ATOM 0 HB THR A 22 -3.969 4.069 8.292 1.00 0.00 H new ATOM 0 HG1 THR A 22 -4.582 6.329 8.186 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.744 5.760 9.607 1.00 0.00 H new ATOM 0 HG22 THR A 22 -1.670 4.453 9.053 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.650 6.031 8.230 1.00 0.00 H new ATOM 225 N LEU A 23 -3.790 1.973 6.494 1.00 0.00 N ATOM 226 CA LEU A 23 -4.707 0.945 6.015 1.00 0.00 C ATOM 227 C LEU A 23 -5.185 0.063 7.164 1.00 0.00 C ATOM 228 O LEU A 23 -4.453 -0.170 8.126 1.00 0.00 O ATOM 229 CB LEU A 23 -4.028 0.086 4.947 1.00 0.00 C ATOM 230 CG LEU A 23 -3.814 0.751 3.587 1.00 0.00 C ATOM 231 CD1 LEU A 23 -2.879 -0.084 2.725 1.00 0.00 C ATOM 232 CD2 LEU A 23 -5.146 0.963 2.881 1.00 0.00 C ATOM 0 H LEU A 23 -3.206 1.684 7.279 1.00 0.00 H new ATOM 0 HA LEU A 23 -5.573 1.441 5.578 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.059 -0.234 5.329 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -4.625 -0.814 4.799 1.00 0.00 H new ATOM 0 HG LEU A 23 -3.352 1.725 3.749 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.739 0.405 1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.916 -0.184 3.225 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.312 -1.072 2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.974 1.437 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.635 0.001 2.731 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.783 1.603 3.491 1.00 0.00 H new ATOM 244 N GLU A 24 -6.416 -0.425 7.056 1.00 0.00 N ATOM 245 CA GLU A 24 -6.991 -1.283 8.086 1.00 0.00 C ATOM 246 C GLU A 24 -6.450 -2.705 7.974 1.00 0.00 C ATOM 247 O GLU A 24 -6.320 -3.247 6.877 1.00 0.00 O ATOM 248 CB GLU A 24 -8.517 -1.296 7.978 1.00 0.00 C ATOM 249 CG GLU A 24 -9.166 0.024 8.358 1.00 0.00 C ATOM 250 CD GLU A 24 -10.562 0.175 7.787 1.00 0.00 C ATOM 251 OE1 GLU A 24 -10.699 0.179 6.546 1.00 0.00 O ATOM 252 OE2 GLU A 24 -11.519 0.288 8.582 1.00 0.00 O ATOM 0 H GLU A 24 -7.035 -0.241 6.266 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.707 -0.880 9.058 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.798 -1.548 6.956 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.911 -2.083 8.620 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -9.212 0.102 9.444 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -8.543 0.846 8.005 1.00 0.00 H new ATOM 259 N VAL A 25 -6.135 -3.304 9.118 1.00 0.00 N ATOM 260 CA VAL A 25 -5.608 -4.663 9.150 1.00 0.00 C ATOM 261 C VAL A 25 -6.736 -5.689 9.172 1.00 0.00 C ATOM 262 O VAL A 25 -7.715 -5.536 9.903 1.00 0.00 O ATOM 263 CB VAL A 25 -4.703 -4.886 10.376 1.00 0.00 C ATOM 264 CG1 VAL A 25 -4.204 -6.322 10.418 1.00 0.00 C ATOM 265 CG2 VAL A 25 -3.538 -3.908 10.362 1.00 0.00 C ATOM 0 H VAL A 25 -6.236 -2.869 10.035 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.018 -4.795 8.243 1.00 0.00 H new ATOM 0 HB VAL A 25 -5.289 -4.705 11.277 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -3.566 -6.460 11.291 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -5.054 -7.001 10.479 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.633 -6.535 9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.909 -4.079 11.235 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.950 -4.056 9.456 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.920 -2.887 10.385 1.00 0.00 H new ATOM 275 N CYS A 26 -6.592 -6.736 8.366 1.00 0.00 N ATOM 276 CA CYS A 26 -7.598 -7.788 8.292 1.00 0.00 C ATOM 277 C CYS A 26 -7.759 -8.483 9.641 1.00 0.00 C ATOM 278 O CYS A 26 -6.818 -9.089 10.155 1.00 0.00 O ATOM 279 CB CYS A 26 -7.216 -8.812 7.221 1.00 0.00 C ATOM 280 SG CYS A 26 -8.382 -10.204 7.074 1.00 0.00 S ATOM 0 H CYS A 26 -5.788 -6.878 7.755 1.00 0.00 H new ATOM 0 HA CYS A 26 -8.549 -7.329 8.024 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.147 -8.306 6.258 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -6.224 -9.205 7.446 1.00 0.00 H new ATOM 0 HG CYS A 26 -7.841 -11.150 6.366 1.00 0.00 H new ATOM 285 N ARG A 27 -8.957 -8.391 10.208 1.00 0.00 N ATOM 286 CA ARG A 27 -9.241 -9.009 11.498 1.00 0.00 C ATOM 287 C ARG A 27 -8.811 -10.473 11.505 1.00 0.00 C ATOM 288 O ARG A 27 -8.037 -10.897 12.363 1.00 0.00 O ATOM 289 CB ARG A 27 -10.733 -8.903 11.820 1.00 0.00 C ATOM 290 CG ARG A 27 -11.030 -8.823 13.309 1.00 0.00 C ATOM 291 CD ARG A 27 -11.057 -10.203 13.947 1.00 0.00 C ATOM 292 NE ARG A 27 -11.249 -10.133 15.393 1.00 0.00 N ATOM 293 CZ ARG A 27 -12.426 -9.910 15.968 1.00 0.00 C ATOM 294 NH1 ARG A 27 -13.509 -9.735 15.223 1.00 0.00 N ATOM 295 NH2 ARG A 27 -12.520 -9.861 17.290 1.00 0.00 N ATOM 0 H ARG A 27 -9.747 -7.895 9.795 1.00 0.00 H new ATOM 0 HA ARG A 27 -8.673 -8.477 12.261 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.140 -8.019 11.329 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.249 -9.767 11.401 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.274 -8.209 13.799 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.990 -8.331 13.464 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -11.859 -10.792 13.503 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.123 -10.721 13.730 1.00 0.00 H new ATOM 0 HE ARG A 27 -10.435 -10.262 15.994 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -13.440 -9.771 14.206 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.411 -9.564 15.667 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -11.689 -9.994 17.866 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -13.424 -9.690 17.731 1.00 0.00 H new ATOM 309 N GLN A 28 -9.318 -11.238 10.544 1.00 0.00 N ATOM 310 CA GLN A 28 -8.986 -12.655 10.442 1.00 0.00 C ATOM 311 C GLN A 28 -7.476 -12.857 10.376 1.00 0.00 C ATOM 312 O GLN A 28 -6.930 -13.752 11.021 1.00 0.00 O ATOM 313 CB GLN A 28 -9.649 -13.267 9.207 1.00 0.00 C ATOM 314 CG GLN A 28 -11.165 -13.333 9.300 1.00 0.00 C ATOM 315 CD GLN A 28 -11.648 -14.489 10.152 1.00 0.00 C ATOM 316 OE1 GLN A 28 -11.773 -15.618 9.675 1.00 0.00 O ATOM 317 NE2 GLN A 28 -11.923 -14.215 11.422 1.00 0.00 N ATOM 0 H GLN A 28 -9.959 -10.902 9.826 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.362 -13.156 11.334 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -9.372 -12.683 8.329 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.258 -14.273 9.056 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -11.541 -12.398 9.716 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -11.583 -13.426 8.298 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -11.805 -13.266 11.776 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -12.252 -14.954 12.044 1.00 0.00 H new ATOM 326 N PHE A 29 -6.806 -12.020 9.591 1.00 0.00 N ATOM 327 CA PHE A 29 -5.358 -12.108 9.439 1.00 0.00 C ATOM 328 C PHE A 29 -4.666 -12.076 10.799 1.00 0.00 C ATOM 329 O PHE A 29 -3.803 -12.906 11.086 1.00 0.00 O ATOM 330 CB PHE A 29 -4.845 -10.960 8.567 1.00 0.00 C ATOM 331 CG PHE A 29 -3.346 -10.884 8.497 1.00 0.00 C ATOM 332 CD1 PHE A 29 -2.612 -11.924 7.951 1.00 0.00 C ATOM 333 CD2 PHE A 29 -2.673 -9.772 8.976 1.00 0.00 C ATOM 334 CE1 PHE A 29 -1.233 -11.857 7.886 1.00 0.00 C ATOM 335 CE2 PHE A 29 -1.294 -9.699 8.914 1.00 0.00 C ATOM 336 CZ PHE A 29 -0.573 -10.743 8.367 1.00 0.00 C ATOM 0 H PHE A 29 -7.242 -11.273 9.050 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.125 -13.056 8.954 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.243 -11.075 7.559 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.231 -10.018 8.957 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.123 -12.797 7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.232 -8.953 9.403 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.672 -12.675 7.459 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -0.781 -8.827 9.293 1.00 0.00 H new ATOM 0 HZ PHE A 29 0.504 -10.688 8.316 1.00 0.00 H new ATOM 346 N GLN A 30 -5.051 -11.114 11.630 1.00 0.00 N ATOM 347 CA GLN A 30 -4.466 -10.973 12.959 1.00 0.00 C ATOM 348 C GLN A 30 -4.526 -12.293 13.722 1.00 0.00 C ATOM 349 O GLN A 30 -3.522 -12.752 14.267 1.00 0.00 O ATOM 350 CB GLN A 30 -5.193 -9.882 13.746 1.00 0.00 C ATOM 351 CG GLN A 30 -4.590 -8.498 13.566 1.00 0.00 C ATOM 352 CD GLN A 30 -3.336 -8.295 14.392 1.00 0.00 C ATOM 353 OE1 GLN A 30 -3.254 -8.743 15.537 1.00 0.00 O ATOM 354 NE2 GLN A 30 -2.350 -7.618 13.816 1.00 0.00 N ATOM 0 H GLN A 30 -5.765 -10.420 11.408 1.00 0.00 H new ATOM 0 HA GLN A 30 -3.420 -10.689 12.841 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.238 -9.857 13.436 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.180 -10.140 14.805 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -4.356 -8.342 12.513 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -5.328 -7.746 13.843 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.461 -7.265 12.865 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -1.481 -7.451 14.324 1.00 0.00 H new ATOM 363 N ARG A 31 -5.709 -12.897 13.756 1.00 0.00 N ATOM 364 CA ARG A 31 -5.900 -14.163 14.454 1.00 0.00 C ATOM 365 C ARG A 31 -5.216 -15.304 13.707 1.00 0.00 C ATOM 366 O ARG A 31 -4.793 -16.289 14.311 1.00 0.00 O ATOM 367 CB ARG A 31 -7.392 -14.464 14.610 1.00 0.00 C ATOM 368 CG ARG A 31 -8.182 -13.323 15.232 1.00 0.00 C ATOM 369 CD ARG A 31 -9.652 -13.681 15.383 1.00 0.00 C ATOM 370 NE ARG A 31 -10.282 -12.952 16.480 1.00 0.00 N ATOM 371 CZ ARG A 31 -10.143 -13.283 17.759 1.00 0.00 C ATOM 372 NH1 ARG A 31 -9.398 -14.325 18.100 1.00 0.00 N ATOM 373 NH2 ARG A 31 -10.748 -12.569 18.700 1.00 0.00 N ATOM 0 H ARG A 31 -6.549 -12.531 13.309 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.448 -14.076 15.442 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -7.812 -14.694 13.631 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -7.512 -15.356 15.226 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -7.764 -13.079 16.209 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.085 -12.432 14.612 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -10.176 -13.461 14.453 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.748 -14.753 15.557 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.861 -12.144 16.252 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -8.930 -14.875 17.380 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -9.293 -14.577 19.083 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -11.320 -11.765 18.441 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -10.641 -12.824 19.682 1.00 0.00 H new ATOM 387 N GLY A 32 -5.111 -15.163 12.389 1.00 0.00 N ATOM 388 CA GLY A 32 -4.478 -16.190 11.582 1.00 0.00 C ATOM 389 C GLY A 32 -5.480 -17.157 10.984 1.00 0.00 C ATOM 390 O GLY A 32 -5.189 -18.342 10.820 1.00 0.00 O ATOM 0 H GLY A 32 -5.453 -14.357 11.866 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -3.910 -15.719 10.780 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -3.766 -16.742 12.195 1.00 0.00 H new ATOM 394 N THR A 33 -6.666 -16.652 10.658 1.00 0.00 N ATOM 395 CA THR A 33 -7.716 -17.480 10.077 1.00 0.00 C ATOM 396 C THR A 33 -8.276 -16.848 8.808 1.00 0.00 C ATOM 397 O THR A 33 -9.483 -16.874 8.570 1.00 0.00 O ATOM 398 CB THR A 33 -8.867 -17.708 11.075 1.00 0.00 C ATOM 399 OG1 THR A 33 -9.868 -18.545 10.484 1.00 0.00 O ATOM 400 CG2 THR A 33 -9.489 -16.385 11.495 1.00 0.00 C ATOM 0 H THR A 33 -6.923 -15.673 10.787 1.00 0.00 H new ATOM 0 HA THR A 33 -7.262 -18.440 9.831 1.00 0.00 H new ATOM 0 HB THR A 33 -8.460 -18.197 11.960 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.211 -18.120 9.670 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.299 -16.571 12.200 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.732 -15.761 11.970 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.882 -15.873 10.617 1.00 0.00 H new ATOM 408 N CYS A 34 -7.391 -16.280 7.995 1.00 0.00 N ATOM 409 CA CYS A 34 -7.796 -15.641 6.749 1.00 0.00 C ATOM 410 C CYS A 34 -7.338 -16.458 5.545 1.00 0.00 C ATOM 411 O CYS A 34 -6.168 -16.416 5.163 1.00 0.00 O ATOM 412 CB CYS A 34 -7.222 -14.225 6.668 1.00 0.00 C ATOM 413 SG CYS A 34 -7.342 -13.468 5.015 1.00 0.00 S ATOM 0 H CYS A 34 -6.388 -16.249 8.177 1.00 0.00 H new ATOM 0 HA CYS A 34 -8.884 -15.586 6.735 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -7.744 -13.591 7.385 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -6.175 -14.251 6.969 1.00 0.00 H new ATOM 0 HG CYS A 34 -6.155 -13.373 4.494 1.00 0.00 H new ATOM 418 N SER A 35 -8.267 -17.199 4.951 1.00 0.00 N ATOM 419 CA SER A 35 -7.958 -18.028 3.792 1.00 0.00 C ATOM 420 C SER A 35 -8.052 -17.217 2.503 1.00 0.00 C ATOM 421 O SER A 35 -8.401 -17.746 1.448 1.00 0.00 O ATOM 422 CB SER A 35 -8.910 -19.224 3.725 1.00 0.00 C ATOM 423 OG SER A 35 -8.405 -20.231 2.866 1.00 0.00 O ATOM 0 H SER A 35 -9.240 -17.242 5.253 1.00 0.00 H new ATOM 0 HA SER A 35 -6.936 -18.391 3.899 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.055 -19.634 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.887 -18.896 3.370 1.00 0.00 H new ATOM 0 HG SER A 35 -8.179 -19.837 1.998 1.00 0.00 H new ATOM 429 N ARG A 36 -7.737 -15.929 2.598 1.00 0.00 N ATOM 430 CA ARG A 36 -7.786 -15.044 1.441 1.00 0.00 C ATOM 431 C ARG A 36 -6.382 -14.609 1.029 1.00 0.00 C ATOM 432 O ARG A 36 -5.602 -14.134 1.853 1.00 0.00 O ATOM 433 CB ARG A 36 -8.642 -13.814 1.749 1.00 0.00 C ATOM 434 CG ARG A 36 -10.074 -14.150 2.133 1.00 0.00 C ATOM 435 CD ARG A 36 -10.981 -14.200 0.913 1.00 0.00 C ATOM 436 NE ARG A 36 -12.365 -14.495 1.272 1.00 0.00 N ATOM 437 CZ ARG A 36 -13.205 -13.593 1.767 1.00 0.00 C ATOM 438 NH1 ARG A 36 -12.803 -12.344 1.959 1.00 0.00 N ATOM 439 NH2 ARG A 36 -14.450 -13.938 2.069 1.00 0.00 N ATOM 0 H ARG A 36 -7.445 -15.476 3.464 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.235 -15.593 0.614 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -8.179 -13.253 2.561 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -8.652 -13.161 0.876 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.098 -15.112 2.645 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -10.448 -13.405 2.835 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -10.938 -13.245 0.390 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.616 -14.959 0.221 1.00 0.00 H new ATOM 0 HE ARG A 36 -12.706 -15.447 1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.847 -12.074 1.726 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.450 -11.653 2.339 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -14.764 -14.897 1.921 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.094 -13.244 2.449 1.00 0.00 H new ATOM 453 N SER A 37 -6.069 -14.776 -0.252 1.00 0.00 N ATOM 454 CA SER A 37 -4.758 -14.405 -0.773 1.00 0.00 C ATOM 455 C SER A 37 -4.490 -12.918 -0.560 1.00 0.00 C ATOM 456 O SER A 37 -5.370 -12.173 -0.129 1.00 0.00 O ATOM 457 CB SER A 37 -4.664 -14.743 -2.262 1.00 0.00 C ATOM 458 OG SER A 37 -5.257 -16.000 -2.539 1.00 0.00 O ATOM 0 H SER A 37 -6.705 -15.166 -0.948 1.00 0.00 H new ATOM 0 HA SER A 37 -4.004 -14.974 -0.230 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.159 -13.967 -2.846 1.00 0.00 H new ATOM 0 HB3 SER A 37 -3.618 -14.755 -2.570 1.00 0.00 H new ATOM 0 HG SER A 37 -5.185 -16.191 -3.497 1.00 0.00 H new ATOM 464 N ASP A 38 -3.268 -12.495 -0.863 1.00 0.00 N ATOM 465 CA ASP A 38 -2.882 -11.098 -0.706 1.00 0.00 C ATOM 466 C ASP A 38 -3.555 -10.226 -1.762 1.00 0.00 C ATOM 467 O ASP A 38 -3.838 -9.053 -1.522 1.00 0.00 O ATOM 468 CB ASP A 38 -1.362 -10.953 -0.801 1.00 0.00 C ATOM 469 CG ASP A 38 -0.638 -11.728 0.282 1.00 0.00 C ATOM 470 OD1 ASP A 38 -1.215 -11.897 1.377 1.00 0.00 O ATOM 471 OD2 ASP A 38 0.506 -12.164 0.036 1.00 0.00 O ATOM 0 H ASP A 38 -2.528 -13.100 -1.219 1.00 0.00 H new ATOM 0 HA ASP A 38 -3.211 -10.764 0.278 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.027 -11.301 -1.778 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.095 -9.899 -0.729 1.00 0.00 H new ATOM 476 N GLU A 39 -3.807 -10.808 -2.930 1.00 0.00 N ATOM 477 CA GLU A 39 -4.445 -10.083 -4.022 1.00 0.00 C ATOM 478 C GLU A 39 -5.929 -10.426 -4.110 1.00 0.00 C ATOM 479 O GLU A 39 -6.632 -9.961 -5.006 1.00 0.00 O ATOM 480 CB GLU A 39 -3.756 -10.406 -5.350 1.00 0.00 C ATOM 481 CG GLU A 39 -2.480 -9.614 -5.582 1.00 0.00 C ATOM 482 CD GLU A 39 -1.916 -9.811 -6.976 1.00 0.00 C ATOM 483 OE1 GLU A 39 -1.818 -10.975 -7.417 1.00 0.00 O ATOM 484 OE2 GLU A 39 -1.574 -8.801 -7.625 1.00 0.00 O ATOM 0 H GLU A 39 -3.579 -11.779 -3.144 1.00 0.00 H new ATOM 0 HA GLU A 39 -4.348 -9.016 -3.821 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -3.523 -11.470 -5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.450 -10.209 -6.167 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -2.680 -8.555 -5.422 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.733 -9.912 -4.846 1.00 0.00 H new ATOM 491 N GLU A 40 -6.397 -11.245 -3.172 1.00 0.00 N ATOM 492 CA GLU A 40 -7.797 -11.652 -3.145 1.00 0.00 C ATOM 493 C GLU A 40 -8.550 -10.935 -2.027 1.00 0.00 C ATOM 494 O GLU A 40 -9.667 -10.454 -2.225 1.00 0.00 O ATOM 495 CB GLU A 40 -7.907 -13.167 -2.959 1.00 0.00 C ATOM 496 CG GLU A 40 -9.339 -13.674 -2.928 1.00 0.00 C ATOM 497 CD GLU A 40 -9.452 -15.126 -3.349 1.00 0.00 C ATOM 498 OE1 GLU A 40 -8.954 -15.469 -4.442 1.00 0.00 O ATOM 499 OE2 GLU A 40 -10.040 -15.921 -2.585 1.00 0.00 O ATOM 0 H GLU A 40 -5.828 -11.639 -2.423 1.00 0.00 H new ATOM 0 HA GLU A 40 -8.248 -11.377 -4.098 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -7.372 -13.664 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.411 -13.447 -2.030 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -9.740 -13.559 -1.921 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.953 -13.060 -3.587 1.00 0.00 H new ATOM 506 N CYS A 41 -7.932 -10.869 -0.853 1.00 0.00 N ATOM 507 CA CYS A 41 -8.542 -10.213 0.297 1.00 0.00 C ATOM 508 C CYS A 41 -8.580 -8.700 0.103 1.00 0.00 C ATOM 509 O CYS A 41 -7.620 -8.100 -0.381 1.00 0.00 O ATOM 510 CB CYS A 41 -7.772 -10.555 1.574 1.00 0.00 C ATOM 511 SG CYS A 41 -8.728 -10.316 3.106 1.00 0.00 S ATOM 0 H CYS A 41 -7.008 -11.262 -0.673 1.00 0.00 H new ATOM 0 HA CYS A 41 -9.566 -10.576 0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.445 -11.593 1.521 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.874 -9.940 1.619 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.915 -10.083 4.093 1.00 0.00 H new ATOM 516 N LYS A 42 -9.696 -8.088 0.485 1.00 0.00 N ATOM 517 CA LYS A 42 -9.861 -6.645 0.355 1.00 0.00 C ATOM 518 C LYS A 42 -9.281 -5.920 1.565 1.00 0.00 C ATOM 519 O LYS A 42 -9.761 -4.855 1.953 1.00 0.00 O ATOM 520 CB LYS A 42 -11.342 -6.292 0.198 1.00 0.00 C ATOM 521 CG LYS A 42 -12.210 -6.785 1.343 1.00 0.00 C ATOM 522 CD LYS A 42 -13.688 -6.673 1.011 1.00 0.00 C ATOM 523 CE LYS A 42 -14.264 -5.343 1.475 1.00 0.00 C ATOM 524 NZ LYS A 42 -14.849 -5.439 2.841 1.00 0.00 N ATOM 0 H LYS A 42 -10.500 -8.569 0.887 1.00 0.00 H new ATOM 0 HA LYS A 42 -9.320 -6.322 -0.534 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.442 -5.210 0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -11.711 -6.717 -0.736 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -11.964 -7.823 1.566 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -11.993 -6.206 2.241 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -13.829 -6.776 -0.065 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -14.231 -7.491 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -13.480 -4.585 1.468 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -15.031 -5.015 0.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -15.882 -5.329 2.785 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -14.622 -6.367 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -14.453 -4.688 3.442 1.00 0.00 H new ATOM 538 N PHE A 43 -8.244 -6.504 2.158 1.00 0.00 N ATOM 539 CA PHE A 43 -7.598 -5.914 3.324 1.00 0.00 C ATOM 540 C PHE A 43 -6.083 -6.075 3.246 1.00 0.00 C ATOM 541 O PHE A 43 -5.569 -6.816 2.408 1.00 0.00 O ATOM 542 CB PHE A 43 -8.126 -6.558 4.607 1.00 0.00 C ATOM 543 CG PHE A 43 -9.449 -6.006 5.055 1.00 0.00 C ATOM 544 CD1 PHE A 43 -10.610 -6.307 4.363 1.00 0.00 C ATOM 545 CD2 PHE A 43 -9.531 -5.186 6.169 1.00 0.00 C ATOM 546 CE1 PHE A 43 -11.830 -5.801 4.772 1.00 0.00 C ATOM 547 CE2 PHE A 43 -10.747 -4.677 6.583 1.00 0.00 C ATOM 548 CZ PHE A 43 -11.898 -4.984 5.884 1.00 0.00 C ATOM 0 H PHE A 43 -7.834 -7.385 1.850 1.00 0.00 H new ATOM 0 HA PHE A 43 -7.832 -4.850 3.338 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -8.224 -7.632 4.451 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -7.394 -6.417 5.403 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -10.562 -6.945 3.493 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -8.635 -4.942 6.720 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -12.728 -6.044 4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -10.797 -4.039 7.453 1.00 0.00 H new ATOM 0 HZ PHE A 43 -12.849 -4.586 6.206 1.00 0.00 H new ATOM 558 N ALA A 44 -5.373 -5.377 4.126 1.00 0.00 N ATOM 559 CA ALA A 44 -3.917 -5.443 4.159 1.00 0.00 C ATOM 560 C ALA A 44 -3.435 -6.374 5.266 1.00 0.00 C ATOM 561 O ALA A 44 -3.872 -6.271 6.412 1.00 0.00 O ATOM 562 CB ALA A 44 -3.329 -4.052 4.343 1.00 0.00 C ATOM 0 H ALA A 44 -5.783 -4.759 4.826 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.575 -5.846 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.241 -4.117 4.366 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.637 -3.414 3.515 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.687 -3.627 5.281 1.00 0.00 H new ATOM 568 N HIS A 45 -2.532 -7.285 4.916 1.00 0.00 N ATOM 569 CA HIS A 45 -1.990 -8.235 5.881 1.00 0.00 C ATOM 570 C HIS A 45 -0.490 -8.026 6.066 1.00 0.00 C ATOM 571 O HIS A 45 0.333 -8.581 5.337 1.00 0.00 O ATOM 572 CB HIS A 45 -2.265 -9.668 5.426 1.00 0.00 C ATOM 573 CG HIS A 45 -3.676 -9.894 4.977 1.00 0.00 C ATOM 574 ND1 HIS A 45 -4.031 -10.875 4.075 1.00 0.00 N ATOM 575 CD2 HIS A 45 -4.824 -9.261 5.313 1.00 0.00 C ATOM 576 CE1 HIS A 45 -5.336 -10.833 3.874 1.00 0.00 C ATOM 577 NE2 HIS A 45 -5.841 -9.863 4.614 1.00 0.00 N ATOM 0 H HIS A 45 -2.160 -7.385 3.971 1.00 0.00 H new ATOM 0 HA HIS A 45 -2.483 -8.065 6.838 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -1.588 -9.917 4.609 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.040 -10.350 6.246 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -3.387 -11.530 3.632 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -4.922 -8.436 6.003 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -5.895 -11.482 3.216 1.00 0.00 H new ATOM 585 N PRO A 46 -0.125 -7.206 7.062 1.00 0.00 N ATOM 586 CA PRO A 46 1.278 -6.905 7.365 1.00 0.00 C ATOM 587 C PRO A 46 2.015 -8.104 7.951 1.00 0.00 C ATOM 588 O PRO A 46 1.541 -8.762 8.878 1.00 0.00 O ATOM 589 CB PRO A 46 1.183 -5.779 8.398 1.00 0.00 C ATOM 590 CG PRO A 46 -0.148 -5.965 9.040 1.00 0.00 C ATOM 591 CD PRO A 46 -1.052 -6.510 7.970 1.00 0.00 C ATOM 0 HA PRO A 46 1.840 -6.636 6.470 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.988 -5.844 9.130 1.00 0.00 H new ATOM 0 HB3 PRO A 46 1.261 -4.800 7.925 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -0.082 -6.653 9.883 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -0.529 -5.021 9.429 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -1.798 -7.190 8.382 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -1.594 -5.715 7.459 1.00 0.00 H new ATOM 599 N PRO A 47 3.201 -8.398 7.399 1.00 0.00 N ATOM 600 CA PRO A 47 4.029 -9.520 7.852 1.00 0.00 C ATOM 601 C PRO A 47 4.622 -9.280 9.237 1.00 0.00 C ATOM 602 O PRO A 47 4.471 -8.202 9.810 1.00 0.00 O ATOM 603 CB PRO A 47 5.139 -9.589 6.800 1.00 0.00 C ATOM 604 CG PRO A 47 5.225 -8.208 6.249 1.00 0.00 C ATOM 605 CD PRO A 47 3.826 -7.657 6.291 1.00 0.00 C ATOM 0 HA PRO A 47 3.453 -10.441 7.945 1.00 0.00 H new ATOM 0 HB2 PRO A 47 6.086 -9.898 7.243 1.00 0.00 H new ATOM 0 HB3 PRO A 47 4.901 -10.312 6.020 1.00 0.00 H new ATOM 0 HG2 PRO A 47 5.904 -7.594 6.840 1.00 0.00 H new ATOM 0 HG3 PRO A 47 5.610 -8.218 5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.823 -6.582 6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 47 3.301 -7.822 5.350 1.00 0.00 H new ATOM 613 N LYS A 48 5.298 -10.293 9.769 1.00 0.00 N ATOM 614 CA LYS A 48 5.915 -10.193 11.086 1.00 0.00 C ATOM 615 C LYS A 48 7.015 -9.136 11.092 1.00 0.00 C ATOM 616 O LYS A 48 7.171 -8.395 12.062 1.00 0.00 O ATOM 617 CB LYS A 48 6.492 -11.547 11.505 1.00 0.00 C ATOM 618 CG LYS A 48 5.432 -12.590 11.816 1.00 0.00 C ATOM 619 CD LYS A 48 4.727 -12.294 13.128 1.00 0.00 C ATOM 620 CE LYS A 48 3.359 -12.957 13.188 1.00 0.00 C ATOM 621 NZ LYS A 48 2.325 -12.159 12.471 1.00 0.00 N ATOM 0 H LYS A 48 5.432 -11.193 9.308 1.00 0.00 H new ATOM 0 HA LYS A 48 5.146 -9.896 11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 48 7.135 -11.921 10.708 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.122 -11.408 12.384 1.00 0.00 H new ATOM 0 HG2 LYS A 48 4.701 -12.620 11.008 1.00 0.00 H new ATOM 0 HG3 LYS A 48 5.894 -13.576 11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 48 5.339 -12.645 13.959 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.616 -11.216 13.247 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.418 -13.953 12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.062 -13.085 14.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.407 -12.643 12.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.250 -11.217 12.906 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.595 -12.059 11.472 1.00 0.00 H new ATOM 635 N SER A 49 7.774 -9.072 10.003 1.00 0.00 N ATOM 636 CA SER A 49 8.861 -8.107 9.884 1.00 0.00 C ATOM 637 C SER A 49 8.323 -6.679 9.886 1.00 0.00 C ATOM 638 O SER A 49 8.918 -5.781 10.481 1.00 0.00 O ATOM 639 CB SER A 49 9.660 -8.361 8.604 1.00 0.00 C ATOM 640 OG SER A 49 10.193 -9.674 8.588 1.00 0.00 O ATOM 0 H SER A 49 7.656 -9.677 9.190 1.00 0.00 H new ATOM 0 HA SER A 49 9.518 -8.230 10.745 1.00 0.00 H new ATOM 0 HB2 SER A 49 9.018 -8.215 7.736 1.00 0.00 H new ATOM 0 HB3 SER A 49 10.470 -7.635 8.527 1.00 0.00 H new ATOM 0 HG SER A 49 10.698 -9.812 7.759 1.00 0.00 H new ATOM 646 N CYS A 50 7.193 -6.479 9.216 1.00 0.00 N ATOM 647 CA CYS A 50 6.574 -5.161 9.138 1.00 0.00 C ATOM 648 C CYS A 50 5.951 -4.773 10.476 1.00 0.00 C ATOM 649 O CYS A 50 5.411 -5.619 11.187 1.00 0.00 O ATOM 650 CB CYS A 50 5.508 -5.139 8.041 1.00 0.00 C ATOM 651 SG CYS A 50 6.173 -4.945 6.371 1.00 0.00 S ATOM 0 H CYS A 50 6.687 -7.213 8.719 1.00 0.00 H new ATOM 0 HA CYS A 50 7.351 -4.436 8.895 1.00 0.00 H new ATOM 0 HB2 CYS A 50 4.935 -6.065 8.087 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.813 -4.324 8.241 1.00 0.00 H new ATOM 0 HG CYS A 50 7.129 -5.805 6.182 1.00 0.00 H new ATOM 657 N GLN A 51 6.034 -3.490 10.811 1.00 0.00 N ATOM 658 CA GLN A 51 5.481 -2.991 12.064 1.00 0.00 C ATOM 659 C GLN A 51 3.981 -2.747 11.938 1.00 0.00 C ATOM 660 O GLN A 51 3.534 -2.000 11.067 1.00 0.00 O ATOM 661 CB GLN A 51 6.187 -1.699 12.480 1.00 0.00 C ATOM 662 CG GLN A 51 5.932 -1.304 13.925 1.00 0.00 C ATOM 663 CD GLN A 51 4.707 -0.424 14.082 1.00 0.00 C ATOM 664 OE1 GLN A 51 4.534 0.554 13.355 1.00 0.00 O ATOM 665 NE2 GLN A 51 3.848 -0.770 15.034 1.00 0.00 N ATOM 0 H GLN A 51 6.479 -2.777 10.232 1.00 0.00 H new ATOM 0 HA GLN A 51 5.644 -3.748 12.831 1.00 0.00 H new ATOM 0 HB2 GLN A 51 7.260 -1.816 12.328 1.00 0.00 H new ATOM 0 HB3 GLN A 51 5.859 -0.890 11.828 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.808 -2.204 14.527 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.804 -0.779 14.313 1.00 0.00 H new ATOM 0 HE21 GLN A 51 4.032 -1.589 15.614 1.00 0.00 H new ATOM 0 HE22 GLN A 51 3.005 -0.217 15.186 1.00 0.00 H new ATOM 674 N VAL A 52 3.207 -3.381 12.814 1.00 0.00 N ATOM 675 CA VAL A 52 1.757 -3.231 12.801 1.00 0.00 C ATOM 676 C VAL A 52 1.303 -2.187 13.815 1.00 0.00 C ATOM 677 O VAL A 52 1.670 -2.247 14.988 1.00 0.00 O ATOM 678 CB VAL A 52 1.053 -4.567 13.106 1.00 0.00 C ATOM 679 CG1 VAL A 52 -0.457 -4.407 13.017 1.00 0.00 C ATOM 680 CG2 VAL A 52 1.539 -5.653 12.158 1.00 0.00 C ATOM 0 H VAL A 52 3.560 -4.003 13.541 1.00 0.00 H new ATOM 0 HA VAL A 52 1.481 -2.903 11.799 1.00 0.00 H new ATOM 0 HB VAL A 52 1.303 -4.866 14.124 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.937 -5.361 13.235 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.787 -3.661 13.740 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.730 -4.085 12.012 1.00 0.00 H new ATOM 0 HG21 VAL A 52 1.032 -6.590 12.387 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.320 -5.364 11.130 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.615 -5.785 12.276 1.00 0.00 H new ATOM 690 N GLU A 53 0.503 -1.231 13.354 1.00 0.00 N ATOM 691 CA GLU A 53 -0.001 -0.173 14.222 1.00 0.00 C ATOM 692 C GLU A 53 -1.255 -0.628 14.963 1.00 0.00 C ATOM 693 O GLU A 53 -1.867 -1.635 14.609 1.00 0.00 O ATOM 694 CB GLU A 53 -0.306 1.084 13.406 1.00 0.00 C ATOM 695 CG GLU A 53 -0.088 2.377 14.175 1.00 0.00 C ATOM 696 CD GLU A 53 -0.458 3.606 13.367 1.00 0.00 C ATOM 697 OE1 GLU A 53 -1.024 3.444 12.266 1.00 0.00 O ATOM 698 OE2 GLU A 53 -0.181 4.729 13.837 1.00 0.00 O ATOM 0 H GLU A 53 0.190 -1.167 12.385 1.00 0.00 H new ATOM 0 HA GLU A 53 0.771 0.057 14.957 1.00 0.00 H new ATOM 0 HB2 GLU A 53 0.323 1.090 12.516 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.341 1.044 13.065 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -0.681 2.356 15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.958 2.445 14.475 1.00 0.00 H new ATOM 705 N ASN A 54 -1.631 0.121 15.994 1.00 0.00 N ATOM 706 CA ASN A 54 -2.811 -0.205 16.787 1.00 0.00 C ATOM 707 C ASN A 54 -4.057 -0.265 15.908 1.00 0.00 C ATOM 708 O ASN A 54 -4.565 0.763 15.462 1.00 0.00 O ATOM 709 CB ASN A 54 -3.006 0.829 17.898 1.00 0.00 C ATOM 710 CG ASN A 54 -2.045 0.624 19.053 1.00 0.00 C ATOM 711 OD1 ASN A 54 -1.097 -0.155 18.955 1.00 0.00 O ATOM 712 ND2 ASN A 54 -2.285 1.326 20.154 1.00 0.00 N ATOM 0 H ASN A 54 -1.136 0.958 16.300 1.00 0.00 H new ATOM 0 HA ASN A 54 -2.657 -1.186 17.236 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -2.869 1.829 17.488 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -4.030 0.773 18.267 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -1.671 1.231 20.963 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.083 1.960 20.191 1.00 0.00 H new ATOM 719 N GLY A 55 -4.544 -1.477 15.663 1.00 0.00 N ATOM 720 CA GLY A 55 -5.727 -1.649 14.839 1.00 0.00 C ATOM 721 C GLY A 55 -5.560 -1.056 13.455 1.00 0.00 C ATOM 722 O GLY A 55 -6.541 -0.838 12.743 1.00 0.00 O ATOM 0 H GLY A 55 -4.141 -2.343 16.020 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.953 -2.712 14.751 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -6.580 -1.181 15.331 1.00 0.00 H new ATOM 726 N ARG A 56 -4.315 -0.792 13.072 1.00 0.00 N ATOM 727 CA ARG A 56 -4.023 -0.217 11.764 1.00 0.00 C ATOM 728 C ARG A 56 -2.589 -0.525 11.343 1.00 0.00 C ATOM 729 O ARG A 56 -1.811 -1.087 12.114 1.00 0.00 O ATOM 730 CB ARG A 56 -4.246 1.296 11.787 1.00 0.00 C ATOM 731 CG ARG A 56 -4.691 1.866 10.450 1.00 0.00 C ATOM 732 CD ARG A 56 -5.428 3.185 10.625 1.00 0.00 C ATOM 733 NE ARG A 56 -6.841 2.986 10.933 1.00 0.00 N ATOM 734 CZ ARG A 56 -7.766 3.929 10.786 1.00 0.00 C ATOM 735 NH1 ARG A 56 -7.427 5.129 10.336 1.00 0.00 N ATOM 736 NH2 ARG A 56 -9.032 3.671 11.088 1.00 0.00 N ATOM 0 H ARG A 56 -3.492 -0.967 13.649 1.00 0.00 H new ATOM 0 HA ARG A 56 -4.701 -0.666 11.038 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.996 1.533 12.541 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.322 1.786 12.092 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -3.822 2.016 9.809 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.339 1.150 9.945 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -4.960 3.758 11.425 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -5.335 3.776 9.714 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.135 2.073 11.280 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -6.455 5.330 10.102 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -8.138 5.851 10.224 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.296 2.748 11.433 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -9.741 4.395 10.975 1.00 0.00 H new ATOM 750 N VAL A 57 -2.246 -0.152 10.114 1.00 0.00 N ATOM 751 CA VAL A 57 -0.906 -0.387 9.590 1.00 0.00 C ATOM 752 C VAL A 57 -0.528 0.667 8.555 1.00 0.00 C ATOM 753 O VAL A 57 -1.386 1.185 7.840 1.00 0.00 O ATOM 754 CB VAL A 57 -0.790 -1.783 8.950 1.00 0.00 C ATOM 755 CG1 VAL A 57 -1.831 -1.957 7.855 1.00 0.00 C ATOM 756 CG2 VAL A 57 0.612 -2.004 8.404 1.00 0.00 C ATOM 0 H VAL A 57 -2.878 0.314 9.463 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.221 -0.325 10.435 1.00 0.00 H new ATOM 0 HB VAL A 57 -0.978 -2.532 9.719 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.733 -2.949 7.415 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -2.828 -1.845 8.280 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.678 -1.201 7.084 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.676 -2.995 7.956 1.00 0.00 H new ATOM 0 HG22 VAL A 57 0.832 -1.249 7.649 1.00 0.00 H new ATOM 0 HG23 VAL A 57 1.335 -1.926 9.216 1.00 0.00 H new ATOM 766 N ILE A 58 0.761 0.979 8.480 1.00 0.00 N ATOM 767 CA ILE A 58 1.253 1.970 7.531 1.00 0.00 C ATOM 768 C ILE A 58 1.676 1.314 6.221 1.00 0.00 C ATOM 769 O ILE A 58 2.371 0.299 6.219 1.00 0.00 O ATOM 770 CB ILE A 58 2.445 2.757 8.106 1.00 0.00 C ATOM 771 CG1 ILE A 58 2.083 3.351 9.469 1.00 0.00 C ATOM 772 CG2 ILE A 58 2.871 3.854 7.141 1.00 0.00 C ATOM 773 CD1 ILE A 58 3.281 3.834 10.255 1.00 0.00 C ATOM 0 H ILE A 58 1.484 0.560 9.065 1.00 0.00 H new ATOM 0 HA ILE A 58 0.431 2.660 7.341 1.00 0.00 H new ATOM 0 HB ILE A 58 3.282 2.072 8.240 1.00 0.00 H new ATOM 0 HG12 ILE A 58 1.395 4.184 9.322 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.553 2.600 10.055 1.00 0.00 H new ATOM 0 HG21 ILE A 58 3.715 4.401 7.562 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.165 3.409 6.191 1.00 0.00 H new ATOM 0 HG23 ILE A 58 2.039 4.539 6.978 1.00 0.00 H new ATOM 0 HD11 ILE A 58 2.949 4.242 11.210 1.00 0.00 H new ATOM 0 HD12 ILE A 58 3.960 3.000 10.433 1.00 0.00 H new ATOM 0 HD13 ILE A 58 3.799 4.609 9.689 1.00 0.00 H new ATOM 785 N ALA A 59 1.253 1.904 5.107 1.00 0.00 N ATOM 786 CA ALA A 59 1.591 1.379 3.790 1.00 0.00 C ATOM 787 C ALA A 59 2.921 1.941 3.300 1.00 0.00 C ATOM 788 O ALA A 59 3.113 3.156 3.250 1.00 0.00 O ATOM 789 CB ALA A 59 0.483 1.696 2.796 1.00 0.00 C ATOM 0 H ALA A 59 0.676 2.745 5.091 1.00 0.00 H new ATOM 0 HA ALA A 59 1.692 0.297 3.872 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.748 1.298 1.816 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.449 1.241 3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.355 2.776 2.726 1.00 0.00 H new ATOM 795 N CYS A 60 3.838 1.049 2.939 1.00 0.00 N ATOM 796 CA CYS A 60 5.151 1.455 2.454 1.00 0.00 C ATOM 797 C CYS A 60 5.022 2.462 1.314 1.00 0.00 C ATOM 798 O CYS A 60 4.069 2.418 0.537 1.00 0.00 O ATOM 799 CB CYS A 60 5.944 0.234 1.984 1.00 0.00 C ATOM 800 SG CYS A 60 7.677 0.595 1.552 1.00 0.00 S ATOM 0 H CYS A 60 3.695 0.040 2.973 1.00 0.00 H new ATOM 0 HA CYS A 60 5.684 1.931 3.277 1.00 0.00 H new ATOM 0 HB2 CYS A 60 5.926 -0.522 2.769 1.00 0.00 H new ATOM 0 HB3 CYS A 60 5.446 -0.197 1.115 1.00 0.00 H new ATOM 0 HG CYS A 60 8.466 -0.162 2.255 1.00 0.00 H new ATOM 805 N PHE A 61 5.990 3.368 1.221 1.00 0.00 N ATOM 806 CA PHE A 61 5.985 4.387 0.177 1.00 0.00 C ATOM 807 C PHE A 61 6.449 3.803 -1.154 1.00 0.00 C ATOM 808 O PHE A 61 5.757 3.911 -2.167 1.00 0.00 O ATOM 809 CB PHE A 61 6.885 5.558 0.574 1.00 0.00 C ATOM 810 CG PHE A 61 6.905 6.669 -0.437 1.00 0.00 C ATOM 811 CD1 PHE A 61 5.963 7.683 -0.390 1.00 0.00 C ATOM 812 CD2 PHE A 61 7.865 6.698 -1.436 1.00 0.00 C ATOM 813 CE1 PHE A 61 5.978 8.707 -1.319 1.00 0.00 C ATOM 814 CE2 PHE A 61 7.886 7.719 -2.367 1.00 0.00 C ATOM 815 CZ PHE A 61 6.940 8.724 -2.309 1.00 0.00 C ATOM 0 H PHE A 61 6.787 3.418 1.855 1.00 0.00 H new ATOM 0 HA PHE A 61 4.963 4.747 0.060 1.00 0.00 H new ATOM 0 HB2 PHE A 61 6.549 5.955 1.532 1.00 0.00 H new ATOM 0 HB3 PHE A 61 7.901 5.192 0.719 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.207 7.674 0.382 1.00 0.00 H new ATOM 0 HD2 PHE A 61 8.605 5.913 -1.488 1.00 0.00 H new ATOM 0 HE1 PHE A 61 5.238 9.492 -1.270 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.641 7.731 -3.139 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.953 9.522 -3.037 1.00 0.00 H new ATOM 825 N ASP A 62 7.625 3.184 -1.145 1.00 0.00 N ATOM 826 CA ASP A 62 8.182 2.583 -2.350 1.00 0.00 C ATOM 827 C ASP A 62 7.221 1.554 -2.939 1.00 0.00 C ATOM 828 O ASP A 62 6.916 1.586 -4.131 1.00 0.00 O ATOM 829 CB ASP A 62 9.528 1.924 -2.042 1.00 0.00 C ATOM 830 CG ASP A 62 10.596 2.934 -1.673 1.00 0.00 C ATOM 831 OD1 ASP A 62 10.667 3.992 -2.334 1.00 0.00 O ATOM 832 OD2 ASP A 62 11.361 2.668 -0.723 1.00 0.00 O ATOM 0 H ASP A 62 8.211 3.086 -0.316 1.00 0.00 H new ATOM 0 HA ASP A 62 8.333 3.374 -3.084 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.403 1.216 -1.223 1.00 0.00 H new ATOM 0 HB3 ASP A 62 9.857 1.353 -2.910 1.00 0.00 H new ATOM 837 N SER A 63 6.749 0.642 -2.095 1.00 0.00 N ATOM 838 CA SER A 63 5.827 -0.399 -2.532 1.00 0.00 C ATOM 839 C SER A 63 4.760 0.175 -3.459 1.00 0.00 C ATOM 840 O SER A 63 4.292 -0.498 -4.378 1.00 0.00 O ATOM 841 CB SER A 63 5.165 -1.064 -1.324 1.00 0.00 C ATOM 842 OG SER A 63 4.138 -0.246 -0.791 1.00 0.00 O ATOM 0 H SER A 63 6.990 0.603 -1.105 1.00 0.00 H new ATOM 0 HA SER A 63 6.397 -1.147 -3.082 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.751 -2.028 -1.618 1.00 0.00 H new ATOM 0 HB3 SER A 63 5.914 -1.259 -0.557 1.00 0.00 H new ATOM 0 HG SER A 63 4.512 0.622 -0.532 1.00 0.00 H new ATOM 848 N LEU A 64 4.379 1.423 -3.211 1.00 0.00 N ATOM 849 CA LEU A 64 3.366 2.090 -4.022 1.00 0.00 C ATOM 850 C LEU A 64 3.757 2.080 -5.496 1.00 0.00 C ATOM 851 O LEU A 64 2.932 1.798 -6.366 1.00 0.00 O ATOM 852 CB LEU A 64 3.169 3.530 -3.545 1.00 0.00 C ATOM 853 CG LEU A 64 2.728 3.701 -2.091 1.00 0.00 C ATOM 854 CD1 LEU A 64 2.670 5.174 -1.719 1.00 0.00 C ATOM 855 CD2 LEU A 64 1.377 3.038 -1.862 1.00 0.00 C ATOM 0 H LEU A 64 4.756 1.994 -2.455 1.00 0.00 H new ATOM 0 HA LEU A 64 2.429 1.545 -3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 64 4.106 4.069 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.428 4.006 -4.187 1.00 0.00 H new ATOM 0 HG LEU A 64 3.463 3.215 -1.450 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.354 5.275 -0.681 1.00 0.00 H new ATOM 0 HD12 LEU A 64 3.657 5.620 -1.843 1.00 0.00 H new ATOM 0 HD13 LEU A 64 1.957 5.685 -2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.079 3.170 -0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.632 3.495 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.451 1.974 -2.086 1.00 0.00 H new ATOM 867 N LYS A 65 5.020 2.387 -5.771 1.00 0.00 N ATOM 868 CA LYS A 65 5.522 2.410 -7.139 1.00 0.00 C ATOM 869 C LYS A 65 5.558 1.005 -7.730 1.00 0.00 C ATOM 870 O LYS A 65 5.429 0.826 -8.940 1.00 0.00 O ATOM 871 CB LYS A 65 6.922 3.028 -7.180 1.00 0.00 C ATOM 872 CG LYS A 65 6.948 4.502 -6.815 1.00 0.00 C ATOM 873 CD LYS A 65 6.304 5.355 -7.896 1.00 0.00 C ATOM 874 CE LYS A 65 6.430 6.838 -7.583 1.00 0.00 C ATOM 875 NZ LYS A 65 7.848 7.291 -7.603 1.00 0.00 N ATOM 0 H LYS A 65 5.715 2.624 -5.063 1.00 0.00 H new ATOM 0 HA LYS A 65 4.844 3.019 -7.737 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.571 2.482 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 65 7.336 2.903 -8.181 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.425 4.653 -5.871 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.979 4.822 -6.663 1.00 0.00 H new ATOM 0 HD2 LYS A 65 6.774 5.143 -8.856 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.251 5.090 -7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 65 5.855 7.412 -8.309 1.00 0.00 H new ATOM 0 HE3 LYS A 65 5.998 7.040 -6.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.880 8.330 -7.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.330 6.960 -6.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.325 6.900 -8.440 1.00 0.00 H new ATOM 889 N GLY A 66 5.732 0.009 -6.866 1.00 0.00 N ATOM 890 CA GLY A 66 5.780 -1.368 -7.322 1.00 0.00 C ATOM 891 C GLY A 66 7.152 -1.989 -7.151 1.00 0.00 C ATOM 892 O GLY A 66 7.311 -3.204 -7.270 1.00 0.00 O ATOM 0 H GLY A 66 5.840 0.131 -5.859 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.047 -1.956 -6.769 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.495 -1.409 -8.373 1.00 0.00 H new ATOM 896 N ARG A 67 8.147 -1.152 -6.872 1.00 0.00 N ATOM 897 CA ARG A 67 9.514 -1.626 -6.688 1.00 0.00 C ATOM 898 C ARG A 67 10.119 -1.054 -5.409 1.00 0.00 C ATOM 899 O ARG A 67 10.472 0.124 -5.349 1.00 0.00 O ATOM 900 CB ARG A 67 10.377 -1.239 -7.890 1.00 0.00 C ATOM 901 CG ARG A 67 10.369 -2.273 -9.004 1.00 0.00 C ATOM 902 CD ARG A 67 11.469 -3.305 -8.813 1.00 0.00 C ATOM 903 NE ARG A 67 12.777 -2.792 -9.214 1.00 0.00 N ATOM 904 CZ ARG A 67 13.927 -3.349 -8.853 1.00 0.00 C ATOM 905 NH1 ARG A 67 13.932 -4.432 -8.089 1.00 0.00 N ATOM 906 NH2 ARG A 67 15.076 -2.823 -9.258 1.00 0.00 N ATOM 0 H ARG A 67 8.032 -0.144 -6.769 1.00 0.00 H new ATOM 0 HA ARG A 67 9.487 -2.712 -6.604 1.00 0.00 H new ATOM 0 HB2 ARG A 67 10.026 -0.287 -8.287 1.00 0.00 H new ATOM 0 HB3 ARG A 67 11.403 -1.086 -7.556 1.00 0.00 H new ATOM 0 HG2 ARG A 67 9.401 -2.773 -9.031 1.00 0.00 H new ATOM 0 HG3 ARG A 67 10.498 -1.775 -9.965 1.00 0.00 H new ATOM 0 HD2 ARG A 67 11.504 -3.608 -7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 67 11.235 -4.196 -9.395 1.00 0.00 H new ATOM 0 HE ARG A 67 12.808 -1.960 -9.804 1.00 0.00 H new ATOM 0 HH11 ARG A 67 13.051 -4.840 -7.777 1.00 0.00 H new ATOM 0 HH12 ARG A 67 14.817 -4.858 -7.813 1.00 0.00 H new ATOM 0 HH21 ARG A 67 15.076 -1.990 -9.847 1.00 0.00 H new ATOM 0 HH22 ARG A 67 15.959 -3.251 -8.980 1.00 0.00 H new ATOM 920 N CYS A 68 10.235 -1.896 -4.388 1.00 0.00 N ATOM 921 CA CYS A 68 10.796 -1.476 -3.109 1.00 0.00 C ATOM 922 C CYS A 68 12.252 -1.913 -2.985 1.00 0.00 C ATOM 923 O CYS A 68 12.640 -2.968 -3.487 1.00 0.00 O ATOM 924 CB CYS A 68 9.977 -2.057 -1.954 1.00 0.00 C ATOM 925 SG CYS A 68 10.472 -1.444 -0.311 1.00 0.00 S ATOM 0 H CYS A 68 9.948 -2.874 -4.421 1.00 0.00 H new ATOM 0 HA CYS A 68 10.756 -0.388 -3.062 1.00 0.00 H new ATOM 0 HB2 CYS A 68 8.925 -1.824 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 68 10.069 -3.143 -1.968 1.00 0.00 H new ATOM 0 HG CYS A 68 9.486 -0.784 0.221 1.00 0.00 H new ATOM 930 N SER A 69 13.055 -1.094 -2.312 1.00 0.00 N ATOM 931 CA SER A 69 14.469 -1.393 -2.124 1.00 0.00 C ATOM 932 C SER A 69 14.757 -1.768 -0.673 1.00 0.00 C ATOM 933 O SER A 69 15.510 -2.703 -0.400 1.00 0.00 O ATOM 934 CB SER A 69 15.325 -0.193 -2.532 1.00 0.00 C ATOM 935 OG SER A 69 15.202 0.073 -3.919 1.00 0.00 O ATOM 0 H SER A 69 12.749 -0.218 -1.888 1.00 0.00 H new ATOM 0 HA SER A 69 14.722 -2.243 -2.758 1.00 0.00 H new ATOM 0 HB2 SER A 69 15.021 0.685 -1.962 1.00 0.00 H new ATOM 0 HB3 SER A 69 16.369 -0.387 -2.287 1.00 0.00 H new ATOM 0 HG SER A 69 15.757 0.845 -4.154 1.00 0.00 H new ATOM 941 N ARG A 70 14.153 -1.031 0.253 1.00 0.00 N ATOM 942 CA ARG A 70 14.344 -1.284 1.676 1.00 0.00 C ATOM 943 C ARG A 70 14.516 -2.776 1.944 1.00 0.00 C ATOM 944 O ARG A 70 13.605 -3.568 1.702 1.00 0.00 O ATOM 945 CB ARG A 70 13.158 -0.744 2.476 1.00 0.00 C ATOM 946 CG ARG A 70 13.166 0.768 2.631 1.00 0.00 C ATOM 947 CD ARG A 70 14.138 1.212 3.713 1.00 0.00 C ATOM 948 NE ARG A 70 15.468 1.485 3.175 1.00 0.00 N ATOM 949 CZ ARG A 70 15.732 2.482 2.338 1.00 0.00 C ATOM 950 NH1 ARG A 70 14.762 3.297 1.946 1.00 0.00 N ATOM 951 NH2 ARG A 70 16.968 2.667 1.892 1.00 0.00 N ATOM 0 H ARG A 70 13.527 -0.254 0.043 1.00 0.00 H new ATOM 0 HA ARG A 70 15.251 -0.769 1.993 1.00 0.00 H new ATOM 0 HB2 ARG A 70 12.232 -1.046 1.986 1.00 0.00 H new ATOM 0 HB3 ARG A 70 13.159 -1.202 3.465 1.00 0.00 H new ATOM 0 HG2 ARG A 70 13.439 1.231 1.683 1.00 0.00 H new ATOM 0 HG3 ARG A 70 12.162 1.115 2.877 1.00 0.00 H new ATOM 0 HD2 ARG A 70 13.753 2.108 4.201 1.00 0.00 H new ATOM 0 HD3 ARG A 70 14.208 0.438 4.477 1.00 0.00 H new ATOM 0 HE ARG A 70 16.236 0.877 3.458 1.00 0.00 H new ATOM 0 HH11 ARG A 70 13.811 3.159 2.287 1.00 0.00 H new ATOM 0 HH12 ARG A 70 14.967 4.062 1.303 1.00 0.00 H new ATOM 0 HH21 ARG A 70 17.717 2.043 2.192 1.00 0.00 H new ATOM 0 HH22 ARG A 70 17.169 3.433 1.249 1.00 0.00 H new ATOM 965 N GLU A 71 15.689 -3.151 2.445 1.00 0.00 N ATOM 966 CA GLU A 71 15.979 -4.549 2.745 1.00 0.00 C ATOM 967 C GLU A 71 15.001 -5.097 3.780 1.00 0.00 C ATOM 968 O GLU A 71 14.100 -5.868 3.451 1.00 0.00 O ATOM 969 CB GLU A 71 17.414 -4.697 3.254 1.00 0.00 C ATOM 970 CG GLU A 71 18.451 -4.751 2.145 1.00 0.00 C ATOM 971 CD GLU A 71 19.691 -5.526 2.544 1.00 0.00 C ATOM 972 OE1 GLU A 71 20.608 -4.918 3.133 1.00 0.00 O ATOM 973 OE2 GLU A 71 19.745 -6.743 2.266 1.00 0.00 O ATOM 0 H GLU A 71 16.453 -2.508 2.652 1.00 0.00 H new ATOM 0 HA GLU A 71 15.867 -5.123 1.825 1.00 0.00 H new ATOM 0 HB2 GLU A 71 17.644 -3.861 3.915 1.00 0.00 H new ATOM 0 HB3 GLU A 71 17.486 -5.605 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 71 18.009 -5.210 1.261 1.00 0.00 H new ATOM 0 HG3 GLU A 71 18.735 -3.736 1.868 1.00 0.00 H new ATOM 980 N ASN A 72 15.187 -4.694 5.033 1.00 0.00 N ATOM 981 CA ASN A 72 14.322 -5.146 6.117 1.00 0.00 C ATOM 982 C ASN A 72 13.102 -4.241 6.253 1.00 0.00 C ATOM 983 O ASN A 72 12.602 -4.015 7.355 1.00 0.00 O ATOM 984 CB ASN A 72 15.097 -5.177 7.436 1.00 0.00 C ATOM 985 CG ASN A 72 16.217 -6.199 7.425 1.00 0.00 C ATOM 986 OD1 ASN A 72 16.486 -6.830 6.402 1.00 0.00 O ATOM 987 ND2 ASN A 72 16.875 -6.368 8.566 1.00 0.00 N ATOM 0 H ASN A 72 15.928 -4.056 5.323 1.00 0.00 H new ATOM 0 HA ASN A 72 13.980 -6.153 5.880 1.00 0.00 H new ATOM 0 HB2 ASN A 72 15.513 -4.189 7.633 1.00 0.00 H new ATOM 0 HB3 ASN A 72 14.411 -5.403 8.252 1.00 0.00 H new ATOM 0 HD21 ASN A 72 17.638 -7.043 8.620 1.00 0.00 H new ATOM 0 HD22 ASN A 72 16.617 -5.823 9.389 1.00 0.00 H new ATOM 994 N CYS A 73 12.626 -3.725 5.124 1.00 0.00 N ATOM 995 CA CYS A 73 11.464 -2.845 5.115 1.00 0.00 C ATOM 996 C CYS A 73 10.446 -3.277 6.167 1.00 0.00 C ATOM 997 O CYS A 73 10.013 -4.429 6.192 1.00 0.00 O ATOM 998 CB CYS A 73 10.813 -2.839 3.731 1.00 0.00 C ATOM 999 SG CYS A 73 9.469 -1.623 3.546 1.00 0.00 S ATOM 0 H CYS A 73 13.028 -3.902 4.203 1.00 0.00 H new ATOM 0 HA CYS A 73 11.801 -1.837 5.354 1.00 0.00 H new ATOM 0 HB2 CYS A 73 11.578 -2.635 2.982 1.00 0.00 H new ATOM 0 HB3 CYS A 73 10.420 -3.834 3.522 1.00 0.00 H new ATOM 0 HG CYS A 73 8.331 -2.190 3.815 1.00 0.00 H new ATOM 1004 N LYS A 74 10.067 -2.344 7.034 1.00 0.00 N ATOM 1005 CA LYS A 74 9.099 -2.626 8.087 1.00 0.00 C ATOM 1006 C LYS A 74 7.703 -2.162 7.681 1.00 0.00 C ATOM 1007 O LYS A 74 6.772 -2.186 8.487 1.00 0.00 O ATOM 1008 CB LYS A 74 9.517 -1.940 9.389 1.00 0.00 C ATOM 1009 CG LYS A 74 9.723 -0.441 9.249 1.00 0.00 C ATOM 1010 CD LYS A 74 11.183 -0.100 9.002 1.00 0.00 C ATOM 1011 CE LYS A 74 11.944 0.073 10.308 1.00 0.00 C ATOM 1012 NZ LYS A 74 13.397 0.302 10.077 1.00 0.00 N ATOM 0 H LYS A 74 10.416 -1.386 7.028 1.00 0.00 H new ATOM 0 HA LYS A 74 9.073 -3.704 8.244 1.00 0.00 H new ATOM 0 HB2 LYS A 74 8.756 -2.124 10.147 1.00 0.00 H new ATOM 0 HB3 LYS A 74 10.441 -2.393 9.748 1.00 0.00 H new ATOM 0 HG2 LYS A 74 9.116 -0.065 8.426 1.00 0.00 H new ATOM 0 HG3 LYS A 74 9.379 0.061 10.154 1.00 0.00 H new ATOM 0 HD2 LYS A 74 11.647 -0.890 8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 74 11.250 0.817 8.417 1.00 0.00 H new ATOM 0 HE2 LYS A 74 11.527 0.914 10.862 1.00 0.00 H new ATOM 0 HE3 LYS A 74 11.810 -0.814 10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 13.880 0.415 10.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 13.800 -0.512 9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 13.527 1.163 9.508 1.00 0.00 H new ATOM 1026 N TYR A 75 7.565 -1.742 6.429 1.00 0.00 N ATOM 1027 CA TYR A 75 6.283 -1.273 5.917 1.00 0.00 C ATOM 1028 C TYR A 75 5.643 -2.318 5.009 1.00 0.00 C ATOM 1029 O TYR A 75 6.311 -2.918 4.166 1.00 0.00 O ATOM 1030 CB TYR A 75 6.465 0.040 5.154 1.00 0.00 C ATOM 1031 CG TYR A 75 6.911 1.192 6.027 1.00 0.00 C ATOM 1032 CD1 TYR A 75 8.255 1.383 6.325 1.00 0.00 C ATOM 1033 CD2 TYR A 75 5.989 2.088 6.553 1.00 0.00 C ATOM 1034 CE1 TYR A 75 8.667 2.433 7.123 1.00 0.00 C ATOM 1035 CE2 TYR A 75 6.392 3.141 7.351 1.00 0.00 C ATOM 1036 CZ TYR A 75 7.732 3.310 7.633 1.00 0.00 C ATOM 1037 OH TYR A 75 8.138 4.357 8.427 1.00 0.00 O ATOM 0 H TYR A 75 8.325 -1.717 5.749 1.00 0.00 H new ATOM 0 HA TYR A 75 5.621 -1.103 6.766 1.00 0.00 H new ATOM 0 HB2 TYR A 75 7.198 -0.109 4.361 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.524 0.304 4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 75 8.990 0.699 5.926 1.00 0.00 H new ATOM 0 HD2 TYR A 75 4.939 1.959 6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.715 2.566 7.346 1.00 0.00 H new ATOM 0 HE2 TYR A 75 5.662 3.828 7.752 1.00 0.00 H new ATOM 0 HH TYR A 75 7.357 4.880 8.703 1.00 0.00 H new ATOM 1047 N LEU A 76 4.344 -2.530 5.186 1.00 0.00 N ATOM 1048 CA LEU A 76 3.611 -3.502 4.383 1.00 0.00 C ATOM 1049 C LEU A 76 3.368 -2.972 2.974 1.00 0.00 C ATOM 1050 O LEU A 76 3.203 -1.768 2.772 1.00 0.00 O ATOM 1051 CB LEU A 76 2.276 -3.842 5.049 1.00 0.00 C ATOM 1052 CG LEU A 76 1.240 -4.533 4.163 1.00 0.00 C ATOM 1053 CD1 LEU A 76 1.661 -5.963 3.865 1.00 0.00 C ATOM 1054 CD2 LEU A 76 -0.131 -4.504 4.823 1.00 0.00 C ATOM 0 H LEU A 76 3.776 -2.042 5.879 1.00 0.00 H new ATOM 0 HA LEU A 76 4.215 -4.406 4.312 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.474 -4.482 5.908 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.839 -2.920 5.433 1.00 0.00 H new ATOM 0 HG LEU A 76 1.178 -3.991 3.219 1.00 0.00 H new ATOM 0 HD11 LEU A 76 0.911 -6.439 3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.621 -5.960 3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.753 -6.517 4.799 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.856 -5.000 4.178 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.084 -5.021 5.782 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.436 -3.470 4.983 1.00 0.00 H new ATOM 1066 N HIS A 77 3.344 -3.878 2.001 1.00 0.00 N ATOM 1067 CA HIS A 77 3.118 -3.501 0.611 1.00 0.00 C ATOM 1068 C HIS A 77 1.694 -3.839 0.181 1.00 0.00 C ATOM 1069 O HIS A 77 1.383 -4.972 -0.188 1.00 0.00 O ATOM 1070 CB HIS A 77 4.120 -4.209 -0.301 1.00 0.00 C ATOM 1071 CG HIS A 77 5.549 -3.916 0.037 1.00 0.00 C ATOM 1072 ND1 HIS A 77 6.106 -3.400 1.158 1.00 0.00 N flip ATOM 1073 CD2 HIS A 77 6.593 -4.152 -0.834 1.00 0.00 C flip ATOM 1074 CE1 HIS A 77 7.461 -3.336 0.947 1.00 0.00 C flip ATOM 1075 NE2 HIS A 77 7.729 -3.796 -0.262 1.00 0.00 N flip ATOM 0 H HIS A 77 3.478 -4.878 2.150 1.00 0.00 H new ATOM 0 HA HIS A 77 3.259 -2.423 0.525 1.00 0.00 H new ATOM 0 HB2 HIS A 77 3.955 -5.285 -0.243 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.931 -3.913 -1.333 1.00 0.00 H new ATOM 0 HD2 HIS A 77 6.496 -4.563 -1.828 1.00 0.00 H new ATOM 0 HE1 HIS A 77 8.190 -2.969 1.655 1.00 0.00 H new ATOM 0 HE2 HIS A 77 8.656 -3.865 -0.682 1.00 0.00 H new ATOM 1083 N PRO A 78 0.806 -2.835 0.229 1.00 0.00 N ATOM 1084 CA PRO A 78 -0.600 -3.002 -0.151 1.00 0.00 C ATOM 1085 C PRO A 78 -0.773 -3.213 -1.651 1.00 0.00 C ATOM 1086 O PRO A 78 0.001 -2.711 -2.467 1.00 0.00 O ATOM 1087 CB PRO A 78 -1.243 -1.682 0.281 1.00 0.00 C ATOM 1088 CG PRO A 78 -0.128 -0.694 0.268 1.00 0.00 C ATOM 1089 CD PRO A 78 1.106 -1.459 0.659 1.00 0.00 C ATOM 0 HA PRO A 78 -1.046 -3.881 0.313 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.040 -1.388 -0.402 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -1.687 -1.764 1.273 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.014 -0.247 -0.720 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -0.320 0.121 0.966 1.00 0.00 H new ATOM 0 HD2 PRO A 78 1.995 -1.068 0.164 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.289 -1.404 1.732 1.00 0.00 H new ATOM 1097 N PRO A 79 -1.813 -3.972 -2.027 1.00 0.00 N ATOM 1098 CA PRO A 79 -2.113 -4.266 -3.431 1.00 0.00 C ATOM 1099 C PRO A 79 -2.611 -3.038 -4.186 1.00 0.00 C ATOM 1100 O PRO A 79 -2.848 -1.985 -3.594 1.00 0.00 O ATOM 1101 CB PRO A 79 -3.215 -5.324 -3.345 1.00 0.00 C ATOM 1102 CG PRO A 79 -3.865 -5.088 -2.026 1.00 0.00 C ATOM 1103 CD PRO A 79 -2.777 -4.602 -1.109 1.00 0.00 C ATOM 0 HA PRO A 79 -1.229 -4.596 -3.976 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -3.929 -5.220 -4.162 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -2.803 -6.331 -3.409 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -4.663 -4.350 -2.111 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -4.317 -6.004 -1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -3.157 -3.891 -0.376 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -2.324 -5.423 -0.552 1.00 0.00 H new ATOM 1111 N THR A 80 -2.768 -3.180 -5.499 1.00 0.00 N ATOM 1112 CA THR A 80 -3.238 -2.083 -6.335 1.00 0.00 C ATOM 1113 C THR A 80 -4.704 -1.770 -6.060 1.00 0.00 C ATOM 1114 O THR A 80 -5.093 -0.606 -5.960 1.00 0.00 O ATOM 1115 CB THR A 80 -3.065 -2.403 -7.832 1.00 0.00 C ATOM 1116 OG1 THR A 80 -1.735 -2.872 -8.082 1.00 0.00 O ATOM 1117 CG2 THR A 80 -3.344 -1.175 -8.684 1.00 0.00 C ATOM 0 H THR A 80 -2.576 -4.044 -6.006 1.00 0.00 H new ATOM 0 HA THR A 80 -2.631 -1.213 -6.084 1.00 0.00 H new ATOM 0 HB THR A 80 -3.780 -3.181 -8.100 1.00 0.00 H new ATOM 0 HG1 THR A 80 -1.633 -3.075 -9.035 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.215 -1.426 -9.737 1.00 0.00 H new ATOM 0 HG22 THR A 80 -4.367 -0.838 -8.513 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.650 -0.379 -8.413 1.00 0.00 H new ATOM 1125 N HIS A 81 -5.515 -2.816 -5.939 1.00 0.00 N ATOM 1126 CA HIS A 81 -6.940 -2.653 -5.674 1.00 0.00 C ATOM 1127 C HIS A 81 -7.166 -1.851 -4.395 1.00 0.00 C ATOM 1128 O HIS A 81 -8.200 -1.202 -4.232 1.00 0.00 O ATOM 1129 CB HIS A 81 -7.619 -4.018 -5.560 1.00 0.00 C ATOM 1130 CG HIS A 81 -7.078 -4.866 -4.451 1.00 0.00 C ATOM 1131 ND1 HIS A 81 -7.410 -4.928 -3.141 1.00 0.00 N flip ATOM 1132 CD2 HIS A 81 -6.068 -5.787 -4.632 1.00 0.00 C flip ATOM 1133 CE1 HIS A 81 -6.604 -5.876 -2.560 1.00 0.00 C flip ATOM 1134 NE2 HIS A 81 -5.804 -6.380 -3.482 1.00 0.00 N flip ATOM 0 H HIS A 81 -5.210 -3.786 -6.020 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.379 -2.106 -6.508 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.688 -3.871 -5.405 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -7.504 -4.552 -6.503 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -8.126 -4.373 -2.672 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -5.570 -5.992 -5.568 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -6.622 -6.163 -1.519 1.00 0.00 H new ATOM 1142 N LEU A 82 -6.193 -1.901 -3.492 1.00 0.00 N ATOM 1143 CA LEU A 82 -6.287 -1.180 -2.227 1.00 0.00 C ATOM 1144 C LEU A 82 -5.676 0.212 -2.348 1.00 0.00 C ATOM 1145 O LEU A 82 -6.216 1.187 -1.823 1.00 0.00 O ATOM 1146 CB LEU A 82 -5.582 -1.964 -1.118 1.00 0.00 C ATOM 1147 CG LEU A 82 -6.388 -3.097 -0.481 1.00 0.00 C ATOM 1148 CD1 LEU A 82 -5.514 -3.909 0.462 1.00 0.00 C ATOM 1149 CD2 LEU A 82 -7.599 -2.542 0.255 1.00 0.00 C ATOM 0 H LEU A 82 -5.331 -2.433 -3.612 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.342 -1.073 -1.974 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.662 -2.384 -1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.293 -1.265 -0.333 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.741 -3.756 -1.274 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.104 -4.711 0.906 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -4.680 -4.338 -0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.130 -3.262 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -8.161 -3.362 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -7.268 -1.860 1.038 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -8.237 -2.006 -0.447 1.00 0.00 H new ATOM 1161 N LYS A 83 -4.547 0.299 -3.044 1.00 0.00 N ATOM 1162 CA LYS A 83 -3.864 1.573 -3.238 1.00 0.00 C ATOM 1163 C LYS A 83 -4.866 2.695 -3.491 1.00 0.00 C ATOM 1164 O LYS A 83 -4.680 3.823 -3.032 1.00 0.00 O ATOM 1165 CB LYS A 83 -2.884 1.476 -4.409 1.00 0.00 C ATOM 1166 CG LYS A 83 -1.544 0.867 -4.032 1.00 0.00 C ATOM 1167 CD LYS A 83 -0.424 1.398 -4.911 1.00 0.00 C ATOM 1168 CE LYS A 83 -0.228 0.534 -6.147 1.00 0.00 C ATOM 1169 NZ LYS A 83 -1.215 0.859 -7.213 1.00 0.00 N ATOM 0 H LYS A 83 -4.086 -0.498 -3.483 1.00 0.00 H new ATOM 0 HA LYS A 83 -3.311 1.803 -2.327 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.335 0.878 -5.201 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.719 2.473 -4.817 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -1.324 1.088 -2.987 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -1.597 -0.218 -4.124 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -0.651 2.421 -5.213 1.00 0.00 H new ATOM 0 HD3 LYS A 83 0.503 1.433 -4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 83 0.782 0.675 -6.532 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.321 -0.517 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -0.986 0.322 -8.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.171 0.605 -6.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -1.179 1.877 -7.420 1.00 0.00 H new ATOM 1183 N THR A 84 -5.929 2.379 -4.223 1.00 0.00 N ATOM 1184 CA THR A 84 -6.960 3.360 -4.537 1.00 0.00 C ATOM 1185 C THR A 84 -7.425 4.089 -3.282 1.00 0.00 C ATOM 1186 O THR A 84 -7.272 5.305 -3.168 1.00 0.00 O ATOM 1187 CB THR A 84 -8.176 2.700 -5.214 1.00 0.00 C ATOM 1188 OG1 THR A 84 -7.748 1.908 -6.327 1.00 0.00 O ATOM 1189 CG2 THR A 84 -9.170 3.751 -5.686 1.00 0.00 C ATOM 0 H THR A 84 -6.099 1.451 -4.610 1.00 0.00 H new ATOM 0 HA THR A 84 -6.515 4.077 -5.227 1.00 0.00 H new ATOM 0 HB THR A 84 -8.668 2.060 -4.481 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.527 1.491 -6.750 1.00 0.00 H new ATOM 0 HG21 THR A 84 -10.020 3.261 -6.161 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.517 4.333 -4.832 1.00 0.00 H new ATOM 0 HG23 THR A 84 -8.686 4.413 -6.404 1.00 0.00 H new ATOM 1197 N GLN A 85 -7.992 3.339 -2.343 1.00 0.00 N ATOM 1198 CA GLN A 85 -8.479 3.916 -1.096 1.00 0.00 C ATOM 1199 C GLN A 85 -7.510 4.968 -0.568 1.00 0.00 C ATOM 1200 O GLN A 85 -7.918 5.938 0.074 1.00 0.00 O ATOM 1201 CB GLN A 85 -8.683 2.821 -0.047 1.00 0.00 C ATOM 1202 CG GLN A 85 -7.427 2.498 0.746 1.00 0.00 C ATOM 1203 CD GLN A 85 -7.383 1.054 1.206 1.00 0.00 C ATOM 1204 OE1 GLN A 85 -6.756 0.207 0.570 1.00 0.00 O ATOM 1205 NE2 GLN A 85 -8.049 0.766 2.318 1.00 0.00 N ATOM 0 H GLN A 85 -8.125 2.331 -2.422 1.00 0.00 H new ATOM 0 HA GLN A 85 -9.436 4.398 -1.298 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.468 3.131 0.642 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.033 1.915 -0.542 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -6.551 2.707 0.132 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -7.372 3.154 1.615 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.555 1.500 2.814 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -8.054 -0.189 2.677 1.00 0.00 H new ATOM 1214 N LEU A 86 -6.225 4.772 -0.841 1.00 0.00 N ATOM 1215 CA LEU A 86 -5.196 5.704 -0.393 1.00 0.00 C ATOM 1216 C LEU A 86 -5.087 6.892 -1.342 1.00 0.00 C ATOM 1217 O LEU A 86 -5.007 8.041 -0.907 1.00 0.00 O ATOM 1218 CB LEU A 86 -3.845 4.993 -0.291 1.00 0.00 C ATOM 1219 CG LEU A 86 -3.764 3.848 0.720 1.00 0.00 C ATOM 1220 CD1 LEU A 86 -2.587 2.939 0.403 1.00 0.00 C ATOM 1221 CD2 LEU A 86 -3.653 4.394 2.136 1.00 0.00 C ATOM 0 H LEU A 86 -5.870 3.976 -1.371 1.00 0.00 H new ATOM 0 HA LEU A 86 -5.480 6.074 0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -3.588 4.601 -1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -3.086 5.732 -0.034 1.00 0.00 H new ATOM 0 HG LEU A 86 -4.679 3.261 0.650 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -2.545 2.130 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -2.709 2.521 -0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -1.662 3.514 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.596 3.565 2.842 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.754 5.005 2.221 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -4.529 5.003 2.361 1.00 0.00 H new