USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 517 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 55 GLN : amide:sc= 0.72 K(o=0.23,f=-2.5) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.492 K(o=0.23,f=-2.2) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -151:sc= 1.73 (180deg=1.26) USER MOD Set 2.2: A 42 HIS : no HE2:sc= 0.443 K(o=2.2,f=-7.1!) USER MOD Single : A 17 GLN : amide:sc= -0.473 K(o=-0.47,f=-2.9!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 75:sc= 0.98 USER MOD Single : A 45 ASN : amide:sc= 0.372 K(o=0.37,f=-0.77) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.076 USER MOD Single : A 52 GLN : amide:sc= -0.11 K(o=-0.11,f=-1) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 GLN : amide:sc= -0.0194 X(o=-0.019,f=-0.16) USER MOD Single : A 62 GLN : amide:sc= 0.864 K(o=0.86,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0.76 K(o=0.76,f=0) USER MOD Single : A 71 MET CE :methyl -171:sc= -0.0988 (180deg=-0.219) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -164:sc= 1.28 (180deg=1.19) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.633 7.316 -14.847 1.00 0.00 N ATOM 205 CA GLU A 14 5.219 7.355 -14.494 1.00 0.00 C ATOM 206 C GLU A 14 4.935 8.440 -13.448 1.00 0.00 C ATOM 207 O GLU A 14 3.920 9.134 -13.520 1.00 0.00 O ATOM 208 CB GLU A 14 4.750 5.965 -14.045 1.00 0.00 C ATOM 209 CG GLU A 14 5.548 5.375 -12.874 1.00 0.00 C ATOM 210 CD GLU A 14 5.044 3.976 -12.547 1.00 0.00 C ATOM 211 OE1 GLU A 14 5.496 3.038 -13.238 1.00 0.00 O ATOM 212 OE2 GLU A 14 4.198 3.878 -11.631 1.00 0.00 O ATOM 0 HA GLU A 14 4.641 7.627 -15.378 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.700 6.024 -13.760 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.813 5.282 -14.892 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.607 5.338 -13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.453 6.018 -11.999 1.00 0.00 H new ATOM 219 N ALA A 15 5.850 8.601 -12.488 1.00 0.00 N ATOM 220 CA ALA A 15 5.749 9.603 -11.433 1.00 0.00 C ATOM 221 C ALA A 15 5.907 11.010 -12.009 1.00 0.00 C ATOM 222 O ALA A 15 5.415 11.979 -11.431 1.00 0.00 O ATOM 223 CB ALA A 15 6.820 9.350 -10.367 1.00 0.00 C ATOM 0 H ALA A 15 6.692 8.029 -12.424 1.00 0.00 H new ATOM 0 HA ALA A 15 4.763 9.526 -10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.738 10.103 -9.583 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.677 8.359 -9.936 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.808 9.408 -10.823 1.00 0.00 H new ATOM 229 N VAL A 16 6.584 11.113 -13.155 1.00 0.00 N ATOM 230 CA VAL A 16 6.798 12.369 -13.858 1.00 0.00 C ATOM 231 C VAL A 16 5.599 12.589 -14.776 1.00 0.00 C ATOM 232 O VAL A 16 5.190 13.729 -14.965 1.00 0.00 O ATOM 233 CB VAL A 16 8.156 12.369 -14.593 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.117 12.805 -16.061 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.222 13.132 -13.827 1.00 0.00 C ATOM 0 H VAL A 16 7.004 10.310 -13.624 1.00 0.00 H new ATOM 0 HA VAL A 16 6.860 13.208 -13.165 1.00 0.00 H new ATOM 0 HB VAL A 16 8.428 11.314 -14.623 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.123 12.768 -16.478 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.466 12.135 -16.622 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.734 13.823 -16.128 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.159 13.104 -14.383 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.907 14.167 -13.698 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.366 12.673 -12.849 1.00 0.00 H new ATOM 245 N GLN A 17 5.027 11.511 -15.331 1.00 0.00 N ATOM 246 CA GLN A 17 3.872 11.610 -16.209 1.00 0.00 C ATOM 247 C GLN A 17 2.694 12.142 -15.409 1.00 0.00 C ATOM 248 O GLN A 17 2.003 13.046 -15.875 1.00 0.00 O ATOM 249 CB GLN A 17 3.533 10.279 -16.909 1.00 0.00 C ATOM 250 CG GLN A 17 2.548 10.441 -18.084 1.00 0.00 C ATOM 251 CD GLN A 17 3.146 11.117 -19.323 1.00 0.00 C ATOM 252 OE1 GLN A 17 4.222 11.707 -19.277 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.449 11.043 -20.455 1.00 0.00 N ATOM 0 H GLN A 17 5.355 10.557 -15.180 1.00 0.00 H new ATOM 0 HA GLN A 17 4.111 12.304 -17.015 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.453 9.825 -17.276 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.107 9.591 -16.179 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.174 9.457 -18.367 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.691 11.023 -17.746 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.557 10.548 -20.473 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.807 11.481 -21.304 1.00 0.00 H new ATOM 262 N LYS A 18 2.476 11.593 -14.206 1.00 0.00 N ATOM 263 CA LYS A 18 1.371 12.037 -13.370 1.00 0.00 C ATOM 264 C LYS A 18 1.493 13.527 -13.034 1.00 0.00 C ATOM 265 O LYS A 18 0.507 14.255 -13.107 1.00 0.00 O ATOM 266 CB LYS A 18 1.156 11.124 -12.149 1.00 0.00 C ATOM 267 CG LYS A 18 2.147 11.300 -10.993 1.00 0.00 C ATOM 268 CD LYS A 18 1.757 10.471 -9.759 1.00 0.00 C ATOM 269 CE LYS A 18 0.564 11.088 -9.013 1.00 0.00 C ATOM 270 NZ LYS A 18 0.293 10.392 -7.741 1.00 0.00 N ATOM 0 H LYS A 18 3.046 10.851 -13.801 1.00 0.00 H new ATOM 0 HA LYS A 18 0.451 11.939 -13.946 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.149 11.293 -11.767 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.200 10.088 -12.484 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.144 11.008 -11.324 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.198 12.354 -10.719 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.508 9.456 -10.067 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.610 10.399 -9.084 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.764 12.141 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.322 11.045 -9.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.519 10.838 -7.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.077 9.393 -7.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 1.129 10.454 -7.126 1.00 0.00 H new ATOM 284 N PHE A 19 2.700 13.985 -12.686 1.00 0.00 N ATOM 285 CA PHE A 19 2.947 15.384 -12.359 1.00 0.00 C ATOM 286 C PHE A 19 2.776 16.265 -13.602 1.00 0.00 C ATOM 287 O PHE A 19 2.139 17.313 -13.544 1.00 0.00 O ATOM 288 CB PHE A 19 4.354 15.546 -11.749 1.00 0.00 C ATOM 289 CG PHE A 19 4.890 16.959 -11.878 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.497 17.345 -13.085 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.771 17.893 -10.832 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.963 18.652 -13.251 1.00 0.00 C ATOM 293 CE2 PHE A 19 5.258 19.206 -11.001 1.00 0.00 C ATOM 294 CZ PHE A 19 5.852 19.580 -12.221 1.00 0.00 C ATOM 0 H PHE A 19 3.529 13.394 -12.625 1.00 0.00 H new ATOM 0 HA PHE A 19 2.216 15.708 -11.618 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.323 15.269 -10.695 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.040 14.856 -12.240 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.604 16.629 -13.887 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.307 17.605 -9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.414 18.944 -14.188 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.175 19.922 -10.197 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.221 20.586 -12.357 1.00 0.00 H new ATOM 304 N PHE A 20 3.372 15.843 -14.720 1.00 0.00 N ATOM 305 CA PHE A 20 3.353 16.569 -15.988 1.00 0.00 C ATOM 306 C PHE A 20 1.892 16.849 -16.346 1.00 0.00 C ATOM 307 O PHE A 20 1.511 17.996 -16.585 1.00 0.00 O ATOM 308 CB PHE A 20 4.103 15.744 -17.042 1.00 0.00 C ATOM 309 CG PHE A 20 4.015 16.179 -18.483 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.574 17.404 -18.876 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.397 15.348 -19.438 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.523 17.802 -20.221 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.349 15.745 -20.783 1.00 0.00 C ATOM 314 CZ PHE A 20 3.916 16.969 -21.173 1.00 0.00 C ATOM 0 H PHE A 20 3.892 14.967 -14.768 1.00 0.00 H new ATOM 0 HA PHE A 20 3.864 17.530 -15.928 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.157 15.727 -16.763 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.740 14.718 -16.981 1.00 0.00 H new ATOM 0 HD1 PHE A 20 5.044 18.042 -18.142 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.961 14.407 -19.136 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.950 18.747 -20.522 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.876 15.110 -21.518 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.885 17.270 -22.210 1.00 0.00 H new ATOM 324 N LEU A 21 1.067 15.795 -16.328 1.00 0.00 N ATOM 325 CA LEU A 21 -0.362 15.894 -16.565 1.00 0.00 C ATOM 326 C LEU A 21 -1.033 16.723 -15.475 1.00 0.00 C ATOM 327 O LEU A 21 -1.956 17.471 -15.785 1.00 0.00 O ATOM 328 CB LEU A 21 -0.990 14.491 -16.657 1.00 0.00 C ATOM 329 CG LEU A 21 -1.393 14.014 -18.066 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.624 12.500 -17.971 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.653 14.762 -18.513 1.00 0.00 C ATOM 0 H LEU A 21 1.385 14.843 -16.146 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.521 16.401 -17.517 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.284 13.772 -16.242 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.876 14.471 -16.022 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.621 14.219 -18.808 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.913 12.114 -18.949 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.706 12.012 -17.645 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.418 12.297 -17.252 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.941 14.427 -19.509 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.464 14.559 -17.814 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.452 15.833 -18.534 1.00 0.00 H new ATOM 343 N GLU A 22 -0.580 16.627 -14.219 1.00 0.00 N ATOM 344 CA GLU A 22 -1.151 17.437 -13.152 1.00 0.00 C ATOM 345 C GLU A 22 -0.951 18.920 -13.481 1.00 0.00 C ATOM 346 O GLU A 22 -1.807 19.726 -13.142 1.00 0.00 O ATOM 347 CB GLU A 22 -0.590 17.068 -11.768 1.00 0.00 C ATOM 348 CG GLU A 22 -1.372 17.752 -10.635 1.00 0.00 C ATOM 349 CD GLU A 22 -0.914 17.239 -9.273 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.243 16.076 -8.952 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.221 18.018 -8.583 1.00 0.00 O ATOM 0 H GLU A 22 0.171 16.003 -13.925 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.220 17.230 -13.095 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.630 15.987 -11.636 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.459 17.358 -11.712 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.229 18.831 -10.689 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.439 17.565 -10.759 1.00 0.00 H new ATOM 358 N GLU A 23 0.149 19.285 -14.152 1.00 0.00 N ATOM 359 CA GLU A 23 0.452 20.660 -14.534 1.00 0.00 C ATOM 360 C GLU A 23 -0.362 21.067 -15.760 1.00 0.00 C ATOM 361 O GLU A 23 -0.972 22.133 -15.754 1.00 0.00 O ATOM 362 CB GLU A 23 1.965 20.903 -14.626 1.00 0.00 C ATOM 363 CG GLU A 23 2.389 21.883 -13.517 1.00 0.00 C ATOM 364 CD GLU A 23 2.032 21.402 -12.114 1.00 0.00 C ATOM 365 OE1 GLU A 23 2.514 20.319 -11.720 1.00 0.00 O ATOM 366 OE2 GLU A 23 1.262 22.122 -11.438 1.00 0.00 O ATOM 0 H GLU A 23 0.862 18.618 -14.447 1.00 0.00 H new ATOM 0 HA GLU A 23 0.131 21.340 -13.745 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.504 19.961 -14.521 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.221 21.309 -15.604 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.466 22.042 -13.575 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.914 22.848 -13.694 1.00 0.00 H new ATOM 373 N ILE A 24 -0.409 20.202 -16.782 1.00 0.00 N ATOM 374 CA ILE A 24 -1.231 20.423 -17.982 1.00 0.00 C ATOM 375 C ILE A 24 -2.671 20.729 -17.507 1.00 0.00 C ATOM 376 O ILE A 24 -3.285 21.721 -17.912 1.00 0.00 O ATOM 377 CB ILE A 24 -1.161 19.181 -18.951 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.043 19.229 -20.036 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.498 18.752 -19.579 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.436 18.657 -21.412 1.00 0.00 C ATOM 0 H ILE A 24 0.120 19.330 -16.801 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.857 21.267 -18.562 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.877 18.402 -18.244 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.269 20.265 -20.167 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.823 18.680 -19.666 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.336 17.890 -20.227 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.202 18.486 -18.790 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.905 19.575 -20.166 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.410 18.737 -22.094 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.717 17.609 -21.304 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.280 19.219 -21.812 1.00 0.00 H new ATOM 392 N GLN A 25 -3.209 19.865 -16.634 1.00 0.00 N ATOM 393 CA GLN A 25 -4.579 19.995 -16.143 1.00 0.00 C ATOM 394 C GLN A 25 -4.778 21.129 -15.139 1.00 0.00 C ATOM 395 O GLN A 25 -5.780 21.832 -15.215 1.00 0.00 O ATOM 396 CB GLN A 25 -5.165 18.643 -15.721 1.00 0.00 C ATOM 397 CG GLN A 25 -4.828 18.317 -14.272 1.00 0.00 C ATOM 398 CD GLN A 25 -5.158 16.879 -13.882 1.00 0.00 C ATOM 399 OE1 GLN A 25 -5.687 16.108 -14.679 1.00 0.00 O ATOM 400 NE2 GLN A 25 -4.841 16.509 -12.642 1.00 0.00 N ATOM 0 H GLN A 25 -2.706 19.063 -16.253 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.183 20.320 -16.990 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -6.247 18.658 -15.849 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -4.778 17.858 -16.371 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.766 18.497 -14.104 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.373 18.997 -13.618 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.403 17.176 -12.007 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -5.037 15.559 -12.328 1.00 0.00 H new ATOM 409 N LEU A 26 -3.835 21.316 -14.211 1.00 0.00 N ATOM 410 CA LEU A 26 -3.887 22.379 -13.202 1.00 0.00 C ATOM 411 C LEU A 26 -3.962 23.703 -13.955 1.00 0.00 C ATOM 412 O LEU A 26 -4.827 24.520 -13.658 1.00 0.00 O ATOM 413 CB LEU A 26 -2.687 22.276 -12.238 1.00 0.00 C ATOM 414 CG LEU A 26 -2.387 23.343 -11.173 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.357 24.783 -11.671 1.00 0.00 C ATOM 416 CD2 LEU A 26 -3.337 23.223 -9.989 1.00 0.00 C ATOM 0 H LEU A 26 -3.005 20.728 -14.138 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.765 22.291 -12.562 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.793 21.329 -11.709 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.795 22.196 -12.859 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.365 23.123 -10.864 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.137 25.451 -10.839 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.586 24.888 -12.434 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.327 25.041 -12.097 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.100 23.991 -9.253 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.364 23.353 -10.331 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.229 22.238 -9.534 1.00 0.00 H new ATOM 428 N GLY A 27 -3.079 23.906 -14.940 1.00 0.00 N ATOM 429 CA GLY A 27 -3.080 25.113 -15.751 1.00 0.00 C ATOM 430 C GLY A 27 -4.434 25.274 -16.416 1.00 0.00 C ATOM 431 O GLY A 27 -5.129 26.238 -16.112 1.00 0.00 O ATOM 0 H GLY A 27 -2.350 23.238 -15.190 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.862 25.982 -15.130 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.296 25.057 -16.506 1.00 0.00 H new ATOM 435 N GLU A 28 -4.831 24.353 -17.302 1.00 0.00 N ATOM 436 CA GLU A 28 -6.129 24.490 -17.959 1.00 0.00 C ATOM 437 C GLU A 28 -7.295 24.729 -16.984 1.00 0.00 C ATOM 438 O GLU A 28 -8.216 25.478 -17.304 1.00 0.00 O ATOM 439 CB GLU A 28 -6.358 23.349 -18.954 1.00 0.00 C ATOM 440 CG GLU A 28 -5.810 23.742 -20.335 1.00 0.00 C ATOM 441 CD GLU A 28 -4.312 24.045 -20.351 1.00 0.00 C ATOM 442 OE1 GLU A 28 -3.535 23.092 -20.570 1.00 0.00 O ATOM 443 OE2 GLU A 28 -3.970 25.232 -20.163 1.00 0.00 O ATOM 0 H GLU A 28 -4.290 23.531 -17.572 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.103 25.410 -18.543 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.865 22.443 -18.602 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.422 23.125 -19.026 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -6.013 22.934 -21.038 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -6.351 24.619 -20.692 1.00 0.00 H new ATOM 450 N GLU A 29 -7.251 24.131 -15.791 1.00 0.00 N ATOM 451 CA GLU A 29 -8.269 24.313 -14.757 1.00 0.00 C ATOM 452 C GLU A 29 -8.196 25.733 -14.185 1.00 0.00 C ATOM 453 O GLU A 29 -9.225 26.371 -13.979 1.00 0.00 O ATOM 454 CB GLU A 29 -8.134 23.232 -13.679 1.00 0.00 C ATOM 455 CG GLU A 29 -9.168 23.361 -12.558 1.00 0.00 C ATOM 456 CD GLU A 29 -9.016 22.213 -11.565 1.00 0.00 C ATOM 457 OE1 GLU A 29 -9.597 21.142 -11.843 1.00 0.00 O ATOM 458 OE2 GLU A 29 -8.306 22.422 -10.559 1.00 0.00 O ATOM 0 H GLU A 29 -6.499 23.500 -15.514 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.260 24.198 -15.197 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.233 22.251 -14.144 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.134 23.281 -13.248 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.041 24.314 -12.045 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.173 23.357 -12.979 1.00 0.00 H new ATOM 465 N LEU A 30 -6.995 26.265 -13.942 1.00 0.00 N ATOM 466 CA LEU A 30 -6.850 27.627 -13.450 1.00 0.00 C ATOM 467 C LEU A 30 -7.354 28.591 -14.519 1.00 0.00 C ATOM 468 O LEU A 30 -8.027 29.568 -14.201 1.00 0.00 O ATOM 469 CB LEU A 30 -5.392 27.934 -13.069 1.00 0.00 C ATOM 470 CG LEU A 30 -4.980 27.612 -11.621 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.505 27.996 -11.454 1.00 0.00 C ATOM 472 CD2 LEU A 30 -5.786 28.399 -10.575 1.00 0.00 C ATOM 0 H LEU A 30 -6.114 25.770 -14.079 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.443 27.746 -12.544 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.739 27.378 -13.742 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.208 28.993 -13.249 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.166 26.551 -11.456 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.185 27.778 -10.435 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.898 27.423 -12.155 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.381 29.060 -11.653 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.448 28.127 -9.575 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.638 29.468 -10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -6.845 28.161 -10.677 1.00 0.00 H new ATOM 484 N LEU A 31 -7.066 28.312 -15.791 1.00 0.00 N ATOM 485 CA LEU A 31 -7.557 29.131 -16.899 1.00 0.00 C ATOM 486 C LEU A 31 -9.069 29.000 -16.975 1.00 0.00 C ATOM 487 O LEU A 31 -9.750 29.966 -17.311 1.00 0.00 O ATOM 488 CB LEU A 31 -6.870 28.719 -18.187 1.00 0.00 C ATOM 489 CG LEU A 31 -5.405 29.180 -18.228 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.680 29.376 -16.892 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.668 28.144 -19.048 1.00 0.00 C ATOM 0 H LEU A 31 -6.492 27.520 -16.080 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.320 30.183 -16.737 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.912 27.635 -18.290 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.407 29.141 -19.036 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.413 30.186 -18.647 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.657 29.702 -17.078 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.200 30.132 -16.303 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.667 28.434 -16.343 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.614 28.415 -19.115 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.762 27.168 -18.571 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.096 28.101 -20.049 1.00 0.00 H new ATOM 503 N ALA A 32 -9.593 27.830 -16.599 1.00 0.00 N ATOM 504 CA ALA A 32 -11.031 27.628 -16.498 1.00 0.00 C ATOM 505 C ALA A 32 -11.629 28.632 -15.499 1.00 0.00 C ATOM 506 O ALA A 32 -12.814 28.949 -15.584 1.00 0.00 O ATOM 507 CB ALA A 32 -11.385 26.181 -16.129 1.00 0.00 C ATOM 0 H ALA A 32 -9.036 27.009 -16.360 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.471 27.808 -17.479 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.468 26.076 -16.065 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.000 25.506 -16.893 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.939 25.931 -15.166 1.00 0.00 H new ATOM 513 N GLN A 33 -10.802 29.151 -14.577 1.00 0.00 N ATOM 514 CA GLN A 33 -11.171 30.160 -13.598 1.00 0.00 C ATOM 515 C GLN A 33 -10.875 31.535 -14.206 1.00 0.00 C ATOM 516 O GLN A 33 -11.625 32.486 -13.995 1.00 0.00 O ATOM 517 CB GLN A 33 -10.409 29.918 -12.283 1.00 0.00 C ATOM 518 CG GLN A 33 -11.379 29.878 -11.099 1.00 0.00 C ATOM 519 CD GLN A 33 -10.651 29.699 -9.769 1.00 0.00 C ATOM 520 OE1 GLN A 33 -10.803 28.680 -9.103 1.00 0.00 O ATOM 521 NE2 GLN A 33 -9.855 30.692 -9.371 1.00 0.00 N ATOM 0 H GLN A 33 -9.827 28.863 -14.499 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.232 30.108 -13.355 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.860 28.978 -12.342 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.674 30.708 -12.131 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -11.958 30.801 -11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.087 29.061 -11.238 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.751 31.526 -9.949 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.350 30.618 -8.488 1.00 0.00 H new ATOM 530 N GLY A 34 -9.785 31.612 -14.979 1.00 0.00 N ATOM 531 CA GLY A 34 -9.315 32.781 -15.705 1.00 0.00 C ATOM 532 C GLY A 34 -7.858 33.145 -15.416 1.00 0.00 C ATOM 533 O GLY A 34 -7.424 34.213 -15.847 1.00 0.00 O ATOM 0 H GLY A 34 -9.175 30.806 -15.118 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.430 32.603 -16.774 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.949 33.632 -15.454 1.00 0.00 H new ATOM 537 N ASP A 35 -7.090 32.307 -14.698 1.00 0.00 N ATOM 538 CA ASP A 35 -5.705 32.666 -14.356 1.00 0.00 C ATOM 539 C ASP A 35 -4.668 32.347 -15.447 1.00 0.00 C ATOM 540 O ASP A 35 -3.712 31.607 -15.225 1.00 0.00 O ATOM 541 CB ASP A 35 -5.317 32.123 -12.974 1.00 0.00 C ATOM 542 CG ASP A 35 -4.157 32.903 -12.353 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.348 33.470 -13.121 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.093 32.901 -11.105 1.00 0.00 O ATOM 0 H ASP A 35 -7.396 31.398 -14.351 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.685 33.754 -14.301 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.181 32.170 -12.311 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.040 31.072 -13.063 1.00 0.00 H new ATOM 549 N TYR A 36 -4.857 32.937 -16.630 1.00 0.00 N ATOM 550 CA TYR A 36 -4.017 32.851 -17.823 1.00 0.00 C ATOM 551 C TYR A 36 -2.548 33.076 -17.479 1.00 0.00 C ATOM 552 O TYR A 36 -1.674 32.409 -18.030 1.00 0.00 O ATOM 553 CB TYR A 36 -4.540 33.839 -18.880 1.00 0.00 C ATOM 554 CG TYR A 36 -5.923 33.577 -19.483 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.775 32.558 -19.007 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.359 34.380 -20.555 1.00 0.00 C ATOM 557 CE1 TYR A 36 -8.034 32.347 -19.594 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.619 34.169 -21.143 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.457 33.151 -20.663 1.00 0.00 C ATOM 560 OH TYR A 36 -9.679 32.946 -21.237 1.00 0.00 O ATOM 0 H TYR A 36 -5.668 33.535 -16.789 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.074 31.847 -18.243 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -4.553 34.832 -18.432 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.819 33.868 -19.697 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.457 31.935 -18.184 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.719 35.166 -20.929 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.678 31.564 -19.221 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.942 34.791 -21.965 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.812 33.592 -21.962 1.00 0.00 H new ATOM 570 N GLU A 37 -2.297 33.996 -16.550 1.00 0.00 N ATOM 571 CA GLU A 37 -0.964 34.328 -16.064 1.00 0.00 C ATOM 572 C GLU A 37 -0.313 33.066 -15.512 1.00 0.00 C ATOM 573 O GLU A 37 0.806 32.710 -15.878 1.00 0.00 O ATOM 574 CB GLU A 37 -1.028 35.462 -15.021 1.00 0.00 C ATOM 575 CG GLU A 37 0.283 36.255 -14.911 1.00 0.00 C ATOM 576 CD GLU A 37 1.466 35.442 -14.392 1.00 0.00 C ATOM 577 OE1 GLU A 37 1.261 34.659 -13.441 1.00 0.00 O ATOM 578 OE2 GLU A 37 2.567 35.632 -14.952 1.00 0.00 O ATOM 0 H GLU A 37 -3.034 34.543 -16.105 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.349 34.701 -16.883 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.837 36.144 -15.284 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.272 35.038 -14.047 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.535 36.656 -15.893 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.124 37.107 -14.250 1.00 0.00 H new ATOM 585 N LYS A 38 -1.053 32.382 -14.642 1.00 0.00 N ATOM 586 CA LYS A 38 -0.589 31.147 -14.029 1.00 0.00 C ATOM 587 C LYS A 38 -0.502 30.007 -15.039 1.00 0.00 C ATOM 588 O LYS A 38 0.378 29.160 -14.906 1.00 0.00 O ATOM 589 CB LYS A 38 -1.422 30.769 -12.801 1.00 0.00 C ATOM 590 CG LYS A 38 -1.093 31.656 -11.588 1.00 0.00 C ATOM 591 CD LYS A 38 0.259 31.319 -10.932 1.00 0.00 C ATOM 592 CE LYS A 38 0.198 30.026 -10.108 1.00 0.00 C ATOM 593 NZ LYS A 38 1.543 29.475 -9.852 1.00 0.00 N ATOM 0 H LYS A 38 -1.986 32.669 -14.346 1.00 0.00 H new ATOM 0 HA LYS A 38 0.425 31.330 -13.675 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.482 30.859 -13.040 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.240 29.725 -12.547 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.086 32.700 -11.902 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.884 31.552 -10.846 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.021 31.219 -11.705 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.564 32.144 -10.288 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.301 30.223 -9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.403 29.286 -10.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.482 28.441 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.172 29.713 -10.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.924 29.882 -8.974 1.00 0.00 H new ATOM 607 N GLY A 39 -1.374 29.972 -16.054 1.00 0.00 N ATOM 608 CA GLY A 39 -1.302 28.925 -17.068 1.00 0.00 C ATOM 609 C GLY A 39 0.059 28.918 -17.741 1.00 0.00 C ATOM 610 O GLY A 39 0.597 27.853 -18.024 1.00 0.00 O ATOM 0 H GLY A 39 -2.126 30.648 -16.190 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.491 27.955 -16.609 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.081 29.081 -17.814 1.00 0.00 H new ATOM 614 N VAL A 40 0.623 30.103 -17.988 1.00 0.00 N ATOM 615 CA VAL A 40 1.927 30.208 -18.613 1.00 0.00 C ATOM 616 C VAL A 40 2.967 29.505 -17.740 1.00 0.00 C ATOM 617 O VAL A 40 3.756 28.717 -18.244 1.00 0.00 O ATOM 618 CB VAL A 40 2.300 31.684 -18.861 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.728 31.769 -19.403 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.327 32.368 -19.838 1.00 0.00 C ATOM 0 H VAL A 40 0.190 30.998 -17.762 1.00 0.00 H new ATOM 0 HA VAL A 40 1.901 29.717 -19.586 1.00 0.00 H new ATOM 0 HB VAL A 40 2.232 32.209 -17.908 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.989 32.813 -19.578 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.419 31.338 -18.678 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.795 31.217 -20.340 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.627 33.406 -19.984 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.346 31.847 -20.795 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.318 32.337 -19.428 1.00 0.00 H new ATOM 630 N ASP A 41 2.959 29.793 -16.438 1.00 0.00 N ATOM 631 CA ASP A 41 3.888 29.229 -15.463 1.00 0.00 C ATOM 632 C ASP A 41 3.750 27.710 -15.386 1.00 0.00 C ATOM 633 O ASP A 41 4.724 26.975 -15.523 1.00 0.00 O ATOM 634 CB ASP A 41 3.676 29.913 -14.093 1.00 0.00 C ATOM 635 CG ASP A 41 4.038 29.059 -12.876 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.144 28.477 -12.863 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.189 29.016 -11.959 1.00 0.00 O ATOM 0 H ASP A 41 2.289 30.441 -16.024 1.00 0.00 H new ATOM 0 HA ASP A 41 4.912 29.426 -15.782 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.270 30.827 -14.065 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.630 30.210 -14.011 1.00 0.00 H new ATOM 642 N HIS A 42 2.525 27.247 -15.163 1.00 0.00 N ATOM 643 CA HIS A 42 2.231 25.829 -15.023 1.00 0.00 C ATOM 644 C HIS A 42 2.522 25.079 -16.315 1.00 0.00 C ATOM 645 O HIS A 42 2.972 23.935 -16.262 1.00 0.00 O ATOM 646 CB HIS A 42 0.830 25.600 -14.444 1.00 0.00 C ATOM 647 CG HIS A 42 0.817 25.855 -12.954 1.00 0.00 C ATOM 648 ND1 HIS A 42 0.926 24.844 -12.005 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.717 27.015 -12.224 1.00 0.00 C ATOM 650 CE1 HIS A 42 0.887 25.424 -10.794 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.760 26.751 -10.857 1.00 0.00 N ATOM 0 H HIS A 42 1.706 27.849 -15.074 1.00 0.00 H new ATOM 0 HA HIS A 42 2.907 25.397 -14.286 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.116 26.260 -14.937 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.511 24.577 -14.645 1.00 0.00 H new ATOM 0 HD1 HIS A 42 1.019 23.846 -12.194 1.00 0.00 H new ATOM 0 HD2 HIS A 42 0.618 28.001 -12.653 1.00 0.00 H new ATOM 0 HE1 HIS A 42 0.952 24.874 -9.867 1.00 0.00 H new ATOM 659 N LEU A 43 2.315 25.712 -17.477 1.00 0.00 N ATOM 660 CA LEU A 43 2.645 25.036 -18.719 1.00 0.00 C ATOM 661 C LEU A 43 4.169 25.035 -18.837 1.00 0.00 C ATOM 662 O LEU A 43 4.745 24.011 -19.189 1.00 0.00 O ATOM 663 CB LEU A 43 1.943 25.656 -19.937 1.00 0.00 C ATOM 664 CG LEU A 43 1.738 24.603 -21.044 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.455 23.792 -20.805 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.622 25.279 -22.414 1.00 0.00 C ATOM 0 H LEU A 43 1.936 26.654 -17.575 1.00 0.00 H new ATOM 0 HA LEU A 43 2.276 24.011 -18.702 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.979 26.067 -19.637 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.537 26.485 -20.322 1.00 0.00 H new ATOM 0 HG LEU A 43 2.603 23.940 -21.021 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.336 23.057 -21.601 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.522 23.280 -19.845 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.404 24.463 -20.799 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.478 24.520 -23.183 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.771 25.961 -22.413 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.534 25.838 -22.622 1.00 0.00 H new ATOM 678 N THR A 44 4.834 26.157 -18.514 1.00 0.00 N ATOM 679 CA THR A 44 6.295 26.247 -18.571 1.00 0.00 C ATOM 680 C THR A 44 6.925 25.102 -17.769 1.00 0.00 C ATOM 681 O THR A 44 7.934 24.520 -18.164 1.00 0.00 O ATOM 682 CB THR A 44 6.815 27.617 -18.102 1.00 0.00 C ATOM 683 OG1 THR A 44 6.434 28.611 -19.029 1.00 0.00 O ATOM 684 CG2 THR A 44 8.347 27.638 -18.009 1.00 0.00 C ATOM 0 H THR A 44 4.376 27.016 -18.210 1.00 0.00 H new ATOM 0 HA THR A 44 6.594 26.148 -19.614 1.00 0.00 H new ATOM 0 HB THR A 44 6.388 27.806 -17.117 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.480 28.809 -18.922 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.678 28.621 -17.675 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.679 26.882 -17.297 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.774 27.425 -18.989 1.00 0.00 H new ATOM 692 N ASN A 45 6.299 24.779 -16.636 1.00 0.00 N ATOM 693 CA ASN A 45 6.739 23.716 -15.746 1.00 0.00 C ATOM 694 C ASN A 45 6.592 22.373 -16.466 1.00 0.00 C ATOM 695 O ASN A 45 7.498 21.535 -16.416 1.00 0.00 O ATOM 696 CB ASN A 45 6.004 23.789 -14.400 1.00 0.00 C ATOM 697 CG ASN A 45 6.280 25.111 -13.677 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.380 25.653 -13.772 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.290 25.656 -12.970 1.00 0.00 N ATOM 0 H ASN A 45 5.460 25.259 -16.311 1.00 0.00 H new ATOM 0 HA ASN A 45 7.794 23.835 -15.499 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.932 23.680 -14.564 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.316 22.957 -13.769 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.435 26.545 -12.491 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.388 25.184 -12.908 1.00 0.00 H new ATOM 706 N ALA A 46 5.469 22.186 -17.175 1.00 0.00 N ATOM 707 CA ALA A 46 5.227 20.988 -17.962 1.00 0.00 C ATOM 708 C ALA A 46 6.419 20.795 -18.921 1.00 0.00 C ATOM 709 O ALA A 46 6.990 19.709 -18.999 1.00 0.00 O ATOM 710 CB ALA A 46 3.856 21.066 -18.661 1.00 0.00 C ATOM 0 H ALA A 46 4.709 22.866 -17.213 1.00 0.00 H new ATOM 0 HA ALA A 46 5.168 20.102 -17.330 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.693 20.160 -19.245 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.070 21.160 -17.911 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.833 21.933 -19.322 1.00 0.00 H new ATOM 716 N ILE A 47 6.830 21.866 -19.617 1.00 0.00 N ATOM 717 CA ILE A 47 7.987 21.822 -20.517 1.00 0.00 C ATOM 718 C ILE A 47 9.283 21.528 -19.766 1.00 0.00 C ATOM 719 O ILE A 47 10.166 20.860 -20.301 1.00 0.00 O ATOM 720 CB ILE A 47 8.156 23.127 -21.337 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.061 23.319 -22.413 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.556 23.229 -21.978 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.742 23.816 -21.828 1.00 0.00 C ATOM 0 H ILE A 47 6.374 22.777 -19.571 1.00 0.00 H new ATOM 0 HA ILE A 47 7.784 21.006 -21.210 1.00 0.00 H new ATOM 0 HB ILE A 47 8.044 23.936 -20.615 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.413 24.030 -23.161 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.892 22.373 -22.927 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.631 24.158 -22.543 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.316 23.217 -21.196 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.712 22.384 -22.648 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.010 23.933 -22.628 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.372 23.094 -21.100 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.900 24.777 -21.338 1.00 0.00 H new ATOM 735 N ALA A 48 9.415 22.048 -18.549 1.00 0.00 N ATOM 736 CA ALA A 48 10.620 21.906 -17.746 1.00 0.00 C ATOM 737 C ALA A 48 10.865 20.459 -17.364 1.00 0.00 C ATOM 738 O ALA A 48 12.016 20.055 -17.215 1.00 0.00 O ATOM 739 CB ALA A 48 10.602 22.819 -16.520 1.00 0.00 C ATOM 0 H ALA A 48 8.679 22.585 -18.090 1.00 0.00 H new ATOM 0 HA ALA A 48 11.458 22.226 -18.366 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.520 22.680 -15.949 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.528 23.858 -16.841 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.745 22.571 -15.894 1.00 0.00 H new ATOM 745 N VAL A 49 9.787 19.684 -17.228 1.00 0.00 N ATOM 746 CA VAL A 49 9.900 18.283 -16.877 1.00 0.00 C ATOM 747 C VAL A 49 9.782 17.393 -18.111 1.00 0.00 C ATOM 748 O VAL A 49 10.193 16.236 -18.057 1.00 0.00 O ATOM 749 CB VAL A 49 8.873 17.937 -15.799 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.032 18.904 -14.623 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.419 17.951 -16.277 1.00 0.00 C ATOM 0 H VAL A 49 8.830 20.011 -17.357 1.00 0.00 H new ATOM 0 HA VAL A 49 10.891 18.094 -16.463 1.00 0.00 H new ATOM 0 HB VAL A 49 9.080 16.908 -15.503 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.302 18.661 -13.851 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.038 18.815 -14.212 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.870 19.925 -14.967 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.761 17.694 -15.447 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.167 18.945 -16.646 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.293 17.224 -17.079 1.00 0.00 H new ATOM 761 N CYS A 50 9.244 17.914 -19.223 1.00 0.00 N ATOM 762 CA CYS A 50 9.120 17.130 -20.444 1.00 0.00 C ATOM 763 C CYS A 50 10.426 17.199 -21.234 1.00 0.00 C ATOM 764 O CYS A 50 10.978 16.166 -21.604 1.00 0.00 O ATOM 765 CB CYS A 50 7.906 17.597 -21.246 1.00 0.00 C ATOM 766 SG CYS A 50 7.833 16.757 -22.845 1.00 0.00 S ATOM 0 H CYS A 50 8.892 18.869 -19.295 1.00 0.00 H new ATOM 0 HA CYS A 50 8.948 16.081 -20.204 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.994 17.398 -20.683 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.958 18.675 -21.398 1.00 0.00 H new ATOM 0 HG CYS A 50 6.792 17.170 -23.505 1.00 0.00 H new ATOM 772 N GLY A 51 10.924 18.414 -21.490 1.00 0.00 N ATOM 773 CA GLY A 51 12.166 18.629 -22.225 1.00 0.00 C ATOM 774 C GLY A 51 11.980 18.554 -23.742 1.00 0.00 C ATOM 775 O GLY A 51 12.943 18.724 -24.485 1.00 0.00 O ATOM 0 H GLY A 51 10.471 19.277 -21.190 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.574 19.605 -21.962 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.899 17.883 -21.916 1.00 0.00 H new ATOM 779 N GLN A 52 10.746 18.313 -24.198 1.00 0.00 N ATOM 780 CA GLN A 52 10.367 18.225 -25.603 1.00 0.00 C ATOM 781 C GLN A 52 9.196 19.195 -25.793 1.00 0.00 C ATOM 782 O GLN A 52 8.082 18.754 -26.081 1.00 0.00 O ATOM 783 CB GLN A 52 10.018 16.762 -25.928 1.00 0.00 C ATOM 784 CG GLN A 52 10.021 16.492 -27.440 1.00 0.00 C ATOM 785 CD GLN A 52 11.421 16.430 -28.052 1.00 0.00 C ATOM 786 OE1 GLN A 52 12.427 16.436 -27.349 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.493 16.370 -29.381 1.00 0.00 N ATOM 0 H GLN A 52 9.956 18.169 -23.569 1.00 0.00 H new ATOM 0 HA GLN A 52 11.166 18.506 -26.290 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.735 16.101 -25.440 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.036 16.524 -25.519 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.508 15.550 -27.633 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.450 17.274 -27.941 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.639 16.367 -29.938 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.402 16.327 -29.841 1.00 0.00 H new ATOM 796 N PRO A 53 9.416 20.514 -25.621 1.00 0.00 N ATOM 797 CA PRO A 53 8.358 21.501 -25.748 1.00 0.00 C ATOM 798 C PRO A 53 7.581 21.379 -27.047 1.00 0.00 C ATOM 799 O PRO A 53 6.362 21.293 -27.018 1.00 0.00 O ATOM 800 CB PRO A 53 9.020 22.879 -25.631 1.00 0.00 C ATOM 801 CG PRO A 53 10.507 22.607 -25.843 1.00 0.00 C ATOM 802 CD PRO A 53 10.661 21.197 -25.283 1.00 0.00 C ATOM 0 HA PRO A 53 7.620 21.343 -24.961 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.632 23.571 -26.379 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.834 23.328 -24.655 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.784 22.659 -26.896 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.132 23.326 -25.313 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.520 20.690 -25.722 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.820 21.216 -24.205 1.00 0.00 H new ATOM 810 N GLN A 54 8.295 21.389 -28.170 1.00 0.00 N ATOM 811 CA GLN A 54 7.722 21.340 -29.509 1.00 0.00 C ATOM 812 C GLN A 54 6.749 20.175 -29.698 1.00 0.00 C ATOM 813 O GLN A 54 5.702 20.353 -30.321 1.00 0.00 O ATOM 814 CB GLN A 54 8.843 21.346 -30.565 1.00 0.00 C ATOM 815 CG GLN A 54 9.821 22.533 -30.444 1.00 0.00 C ATOM 816 CD GLN A 54 10.759 22.599 -31.648 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.612 23.461 -32.507 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.733 21.690 -31.713 1.00 0.00 N ATOM 0 H GLN A 54 9.314 21.433 -28.172 1.00 0.00 H new ATOM 0 HA GLN A 54 7.120 22.239 -29.645 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.406 20.416 -30.485 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.392 21.361 -31.557 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.260 23.464 -30.365 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.405 22.435 -29.529 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.825 20.987 -30.979 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.386 21.698 -32.496 1.00 0.00 H new ATOM 827 N GLN A 55 7.069 18.998 -29.147 1.00 0.00 N ATOM 828 CA GLN A 55 6.170 17.852 -29.245 1.00 0.00 C ATOM 829 C GLN A 55 4.860 18.206 -28.556 1.00 0.00 C ATOM 830 O GLN A 55 3.780 18.021 -29.114 1.00 0.00 O ATOM 831 CB GLN A 55 6.810 16.581 -28.659 1.00 0.00 C ATOM 832 CG GLN A 55 5.877 15.362 -28.677 1.00 0.00 C ATOM 833 CD GLN A 55 5.473 14.964 -30.092 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.363 15.253 -30.527 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.369 14.299 -30.819 1.00 0.00 N ATOM 0 H GLN A 55 7.933 18.819 -28.636 1.00 0.00 H new ATOM 0 HA GLN A 55 5.971 17.629 -30.293 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.713 16.346 -29.222 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.117 16.779 -27.632 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.373 14.521 -28.193 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.983 15.583 -28.095 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.282 14.076 -30.424 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.142 14.013 -31.771 1.00 0.00 H new ATOM 844 N LEU A 56 4.961 18.740 -27.341 1.00 0.00 N ATOM 845 CA LEU A 56 3.780 19.139 -26.614 1.00 0.00 C ATOM 846 C LEU A 56 3.062 20.281 -27.351 1.00 0.00 C ATOM 847 O LEU A 56 1.839 20.325 -27.376 1.00 0.00 O ATOM 848 CB LEU A 56 4.105 19.468 -25.149 1.00 0.00 C ATOM 849 CG LEU A 56 2.849 19.682 -24.287 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.019 18.393 -24.087 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.288 20.262 -22.940 1.00 0.00 C ATOM 0 H LEU A 56 5.842 18.901 -26.852 1.00 0.00 H new ATOM 0 HA LEU A 56 3.086 18.299 -26.577 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.697 18.658 -24.723 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.721 20.366 -25.112 1.00 0.00 H new ATOM 0 HG LEU A 56 2.189 20.374 -24.810 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.148 18.613 -23.470 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.692 18.017 -25.056 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.632 17.639 -23.593 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.413 20.423 -22.310 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.966 19.565 -22.448 1.00 0.00 H new ATOM 0 HD23 LEU A 56 3.798 21.212 -23.102 1.00 0.00 H new ATOM 863 N LEU A 57 3.782 21.213 -27.975 1.00 0.00 N ATOM 864 CA LEU A 57 3.124 22.308 -28.679 1.00 0.00 C ATOM 865 C LEU A 57 2.276 21.806 -29.844 1.00 0.00 C ATOM 866 O LEU A 57 1.162 22.297 -30.027 1.00 0.00 O ATOM 867 CB LEU A 57 4.102 23.408 -29.113 1.00 0.00 C ATOM 868 CG LEU A 57 4.877 24.117 -27.982 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.702 25.243 -28.608 1.00 0.00 C ATOM 870 CD2 LEU A 57 3.989 24.623 -26.833 1.00 0.00 C ATOM 0 H LEU A 57 4.801 21.232 -28.007 1.00 0.00 H new ATOM 0 HA LEU A 57 2.446 22.770 -27.961 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.825 22.971 -29.802 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.545 24.161 -29.671 1.00 0.00 H new ATOM 0 HG LEU A 57 5.529 23.385 -27.505 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.261 25.761 -27.829 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.397 24.824 -29.335 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.037 25.947 -29.107 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.610 25.108 -26.080 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.264 25.338 -27.221 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.463 23.782 -26.382 1.00 0.00 H new ATOM 882 N GLN A 58 2.760 20.827 -30.620 1.00 0.00 N ATOM 883 CA GLN A 58 1.931 20.320 -31.706 1.00 0.00 C ATOM 884 C GLN A 58 0.726 19.610 -31.087 1.00 0.00 C ATOM 885 O GLN A 58 -0.395 19.774 -31.558 1.00 0.00 O ATOM 886 CB GLN A 58 2.725 19.521 -32.759 1.00 0.00 C ATOM 887 CG GLN A 58 3.067 18.058 -32.441 1.00 0.00 C ATOM 888 CD GLN A 58 1.857 17.122 -32.452 1.00 0.00 C ATOM 889 OE1 GLN A 58 0.900 17.333 -33.192 1.00 0.00 O ATOM 890 NE2 GLN A 58 1.885 16.083 -31.623 1.00 0.00 N ATOM 0 H GLN A 58 3.677 20.391 -30.521 1.00 0.00 H new ATOM 0 HA GLN A 58 1.548 21.142 -32.311 1.00 0.00 H new ATOM 0 HB2 GLN A 58 2.158 19.537 -33.689 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.659 20.050 -32.946 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.798 17.700 -33.166 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.542 18.011 -31.461 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.694 15.933 -31.020 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.098 15.435 -31.590 1.00 0.00 H new ATOM 899 N VAL A 59 0.960 18.847 -30.010 1.00 0.00 N ATOM 900 CA VAL A 59 -0.090 18.123 -29.305 1.00 0.00 C ATOM 901 C VAL A 59 -1.172 19.054 -28.765 1.00 0.00 C ATOM 902 O VAL A 59 -2.348 18.697 -28.767 1.00 0.00 O ATOM 903 CB VAL A 59 0.483 17.157 -28.245 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.292 17.554 -26.771 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.103 15.779 -28.418 1.00 0.00 C ATOM 0 H VAL A 59 1.888 18.719 -29.607 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.593 17.490 -30.036 1.00 0.00 H new ATOM 0 HB VAL A 59 1.556 17.194 -28.435 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.738 16.794 -26.129 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.775 18.514 -26.587 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.772 17.635 -26.551 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.311 15.110 -27.663 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.186 15.827 -28.305 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.142 15.402 -29.411 1.00 0.00 H new ATOM 915 N LEU A 60 -0.779 20.256 -28.336 1.00 0.00 N ATOM 916 CA LEU A 60 -1.701 21.240 -27.792 1.00 0.00 C ATOM 917 C LEU A 60 -2.439 21.930 -28.931 1.00 0.00 C ATOM 918 O LEU A 60 -3.613 22.247 -28.771 1.00 0.00 O ATOM 919 CB LEU A 60 -0.895 22.328 -27.059 1.00 0.00 C ATOM 920 CG LEU A 60 -0.679 22.169 -25.547 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.865 22.764 -24.776 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.524 20.735 -25.043 1.00 0.00 C ATOM 0 H LEU A 60 0.191 20.569 -28.359 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.399 20.739 -27.122 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.085 22.393 -27.531 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.393 23.283 -27.227 1.00 0.00 H new ATOM 0 HG LEU A 60 0.263 22.688 -25.370 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.700 22.645 -23.705 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.958 23.824 -25.013 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.781 22.247 -25.061 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.377 20.743 -23.963 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.422 20.166 -25.283 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.338 20.272 -25.523 1.00 0.00 H new ATOM 934 N GLN A 61 -1.776 22.159 -30.066 1.00 0.00 N ATOM 935 CA GLN A 61 -2.390 22.835 -31.209 1.00 0.00 C ATOM 936 C GLN A 61 -3.402 21.919 -31.887 1.00 0.00 C ATOM 937 O GLN A 61 -4.426 22.366 -32.405 1.00 0.00 O ATOM 938 CB GLN A 61 -1.295 23.326 -32.178 1.00 0.00 C ATOM 939 CG GLN A 61 -1.810 23.928 -33.498 1.00 0.00 C ATOM 940 CD GLN A 61 -1.869 22.903 -34.630 1.00 0.00 C ATOM 941 OE1 GLN A 61 -0.867 22.655 -35.295 1.00 0.00 O ATOM 942 NE2 GLN A 61 -3.037 22.306 -34.871 1.00 0.00 N ATOM 0 H GLN A 61 -0.806 21.883 -30.218 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.938 23.712 -30.865 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.690 24.075 -31.667 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.637 22.489 -32.411 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.804 24.345 -33.339 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.162 24.753 -33.794 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -3.852 22.532 -34.302 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -3.115 21.623 -35.625 1.00 0.00 H new ATOM 951 N GLN A 62 -3.082 20.629 -31.887 1.00 0.00 N ATOM 952 CA GLN A 62 -3.834 19.553 -32.488 1.00 0.00 C ATOM 953 C GLN A 62 -5.118 19.279 -31.711 1.00 0.00 C ATOM 954 O GLN A 62 -6.144 18.995 -32.328 1.00 0.00 O ATOM 955 CB GLN A 62 -2.893 18.346 -32.547 1.00 0.00 C ATOM 956 CG GLN A 62 -3.534 17.022 -32.935 1.00 0.00 C ATOM 957 CD GLN A 62 -4.043 17.004 -34.375 1.00 0.00 C ATOM 958 OE1 GLN A 62 -3.364 16.501 -35.265 1.00 0.00 O ATOM 959 NE2 GLN A 62 -5.237 17.542 -34.618 1.00 0.00 N ATOM 0 H GLN A 62 -2.232 20.294 -31.434 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.167 19.805 -33.495 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.097 18.565 -33.259 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.423 18.228 -31.570 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.807 16.220 -32.802 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.364 16.815 -32.260 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.776 17.952 -33.856 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.612 17.544 -35.567 1.00 0.00 H new ATOM 968 N THR A 63 -5.083 19.364 -30.375 1.00 0.00 N ATOM 969 CA THR A 63 -6.278 19.111 -29.580 1.00 0.00 C ATOM 970 C THR A 63 -7.199 20.330 -29.582 1.00 0.00 C ATOM 971 O THR A 63 -8.418 20.169 -29.625 1.00 0.00 O ATOM 972 CB THR A 63 -5.940 18.549 -28.195 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.116 18.111 -27.547 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.211 19.524 -27.284 1.00 0.00 C ATOM 0 H THR A 63 -4.252 19.602 -29.834 1.00 0.00 H new ATOM 0 HA THR A 63 -6.855 18.314 -30.050 1.00 0.00 H new ATOM 0 HB THR A 63 -5.258 17.719 -28.378 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.889 17.752 -26.664 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.011 19.046 -26.325 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.269 19.819 -27.746 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.830 20.407 -27.127 1.00 0.00 H new ATOM 982 N LEU A 64 -6.632 21.544 -29.570 1.00 0.00 N ATOM 983 CA LEU A 64 -7.438 22.770 -29.614 1.00 0.00 C ATOM 984 C LEU A 64 -6.587 24.012 -29.909 1.00 0.00 C ATOM 985 O LEU A 64 -5.422 24.038 -29.533 1.00 0.00 O ATOM 986 CB LEU A 64 -8.293 22.943 -28.332 1.00 0.00 C ATOM 987 CG LEU A 64 -7.683 23.774 -27.187 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.766 24.041 -26.135 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.513 23.059 -26.504 1.00 0.00 C ATOM 0 H LEU A 64 -5.625 21.702 -29.530 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.131 22.662 -30.448 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.239 23.403 -28.616 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.525 21.951 -27.944 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.306 24.701 -27.620 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.344 24.629 -25.320 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.589 24.591 -26.591 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.136 23.093 -25.745 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.119 23.687 -25.705 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.859 22.114 -26.086 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.727 22.867 -27.235 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.127 25.062 -30.555 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.379 26.287 -30.824 1.00 0.00 C ATOM 1003 C PRO A 65 -6.083 26.967 -29.476 1.00 0.00 C ATOM 1004 O PRO A 65 -7.026 27.335 -28.779 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.293 27.135 -31.717 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.700 26.652 -31.365 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.490 25.171 -31.051 1.00 0.00 C ATOM 0 HA PRO A 65 -5.424 26.124 -31.323 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.174 28.199 -31.515 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.071 26.984 -32.774 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.109 27.191 -30.511 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.394 26.794 -32.194 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.206 24.823 -30.307 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.633 24.558 -31.941 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.811 27.116 -29.067 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.436 27.678 -27.777 1.00 0.00 C ATOM 1017 C PRO A 66 -4.213 29.202 -27.797 1.00 0.00 C ATOM 1018 O PRO A 66 -3.188 29.659 -28.300 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.142 26.933 -27.452 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.452 26.793 -28.812 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.621 26.691 -29.793 1.00 0.00 C ATOM 0 HA PRO A 66 -5.227 27.553 -27.038 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.526 27.490 -26.746 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.342 25.960 -27.003 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.817 27.652 -29.031 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -1.816 25.908 -28.851 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.452 27.324 -30.664 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.733 25.670 -30.157 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.120 30.022 -27.235 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.925 31.465 -27.182 1.00 0.00 C ATOM 1031 C PRO A 67 -3.883 31.817 -26.109 1.00 0.00 C ATOM 1032 O PRO A 67 -3.107 32.752 -26.280 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.299 32.042 -26.839 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.938 30.945 -25.988 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.376 29.657 -26.592 1.00 0.00 C ATOM 0 HA PRO A 67 -4.550 31.872 -28.121 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.216 32.980 -26.290 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.884 32.248 -27.735 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.671 31.046 -24.936 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.026 30.974 -26.045 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.214 28.904 -25.821 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.072 29.229 -27.313 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.871 31.056 -25.010 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.968 31.207 -23.872 1.00 0.00 C ATOM 1045 C VAL A 68 -1.528 31.051 -24.340 1.00 0.00 C ATOM 1046 O VAL A 68 -0.677 31.857 -23.984 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.314 30.194 -22.767 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -2.164 30.087 -21.762 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.599 30.636 -22.055 1.00 0.00 C ATOM 0 H VAL A 68 -4.523 30.282 -24.887 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.087 32.204 -23.447 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.469 29.213 -23.217 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.424 29.366 -20.987 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.261 29.757 -22.276 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.987 31.061 -21.307 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.846 29.919 -21.272 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.449 31.621 -21.612 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.416 30.682 -22.775 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.273 30.020 -25.147 1.00 0.00 N ATOM 1060 CA PHE A 69 0.034 29.741 -25.735 1.00 0.00 C ATOM 1061 C PHE A 69 0.679 31.021 -26.272 1.00 0.00 C ATOM 1062 O PHE A 69 1.862 31.255 -26.045 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.127 28.687 -26.836 1.00 0.00 C ATOM 1064 CG PHE A 69 1.081 28.485 -27.724 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.281 28.011 -27.170 1.00 0.00 C ATOM 1066 CD2 PHE A 69 1.010 28.770 -29.101 1.00 0.00 C ATOM 1067 CE1 PHE A 69 3.409 27.832 -27.984 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.139 28.586 -29.917 1.00 0.00 C ATOM 1069 CZ PHE A 69 3.339 28.120 -29.358 1.00 0.00 C ATOM 0 H PHE A 69 -1.986 29.342 -25.415 1.00 0.00 H new ATOM 0 HA PHE A 69 0.701 29.350 -24.967 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.377 27.734 -26.369 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.974 28.967 -27.462 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.335 27.784 -26.116 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.087 29.130 -29.530 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.332 27.472 -27.555 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.083 28.803 -30.974 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.209 27.983 -29.984 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.102 31.855 -26.964 1.00 0.00 N ATOM 1080 CA GLN A 70 0.401 33.104 -27.535 1.00 0.00 C ATOM 1081 C GLN A 70 0.941 34.048 -26.451 1.00 0.00 C ATOM 1082 O GLN A 70 1.922 34.760 -26.660 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.661 33.759 -28.440 1.00 0.00 C ATOM 1084 CG GLN A 70 -1.399 34.950 -27.810 1.00 0.00 C ATOM 1085 CD GLN A 70 -2.631 35.331 -28.621 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -2.566 36.193 -29.493 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -3.761 34.689 -28.328 1.00 0.00 N ATOM 0 H GLN A 70 -1.092 31.684 -27.142 1.00 0.00 H new ATOM 0 HA GLN A 70 1.254 32.871 -28.173 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.179 34.093 -29.359 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.394 33.003 -28.722 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.695 34.699 -26.791 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.725 35.805 -27.745 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.769 33.979 -27.595 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -4.618 34.907 -28.836 1.00 0.00 H new ATOM 1096 N MET A 71 0.292 34.040 -25.284 1.00 0.00 N ATOM 1097 CA MET A 71 0.645 34.840 -24.130 1.00 0.00 C ATOM 1098 C MET A 71 1.827 34.192 -23.423 1.00 0.00 C ATOM 1099 O MET A 71 2.661 34.899 -22.875 1.00 0.00 O ATOM 1100 CB MET A 71 -0.552 35.032 -23.190 1.00 0.00 C ATOM 1101 CG MET A 71 -1.786 35.620 -23.895 1.00 0.00 C ATOM 1102 SD MET A 71 -2.698 36.852 -22.929 1.00 0.00 S ATOM 1103 CE MET A 71 -3.064 35.870 -21.458 1.00 0.00 C ATOM 0 H MET A 71 -0.524 33.450 -25.121 1.00 0.00 H new ATOM 0 HA MET A 71 0.935 35.838 -24.458 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.817 34.071 -22.748 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.261 35.690 -22.371 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.468 36.077 -24.832 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.463 34.805 -24.151 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.759 36.416 -20.820 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.513 34.922 -21.756 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.142 35.678 -20.910 1.00 0.00 H new ATOM 1113 N LEU A 72 1.933 32.858 -23.461 1.00 0.00 N ATOM 1114 CA LEU A 72 3.068 32.153 -22.893 1.00 0.00 C ATOM 1115 C LEU A 72 4.298 32.622 -23.660 1.00 0.00 C ATOM 1116 O LEU A 72 5.335 32.906 -23.066 1.00 0.00 O ATOM 1117 CB LEU A 72 2.822 30.627 -22.889 1.00 0.00 C ATOM 1118 CG LEU A 72 4.019 29.720 -23.206 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.131 29.754 -22.150 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.532 28.269 -23.280 1.00 0.00 C ATOM 0 H LEU A 72 1.234 32.248 -23.886 1.00 0.00 H new ATOM 0 HA LEU A 72 3.226 32.382 -21.839 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.439 30.350 -21.907 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.034 30.410 -23.611 1.00 0.00 H new ATOM 0 HG LEU A 72 4.432 30.090 -24.144 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.938 29.086 -22.450 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.515 30.770 -22.059 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.731 29.430 -21.189 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.374 27.614 -23.505 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.095 27.983 -22.323 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.781 28.177 -24.064 1.00 0.00 H new ATOM 1132 N LEU A 73 4.168 32.743 -24.983 1.00 0.00 N ATOM 1133 CA LEU A 73 5.277 33.213 -25.794 1.00 0.00 C ATOM 1134 C LEU A 73 5.606 34.677 -25.530 1.00 0.00 C ATOM 1135 O LEU A 73 6.772 35.057 -25.597 1.00 0.00 O ATOM 1136 CB LEU A 73 5.027 33.017 -27.294 1.00 0.00 C ATOM 1137 CG LEU A 73 4.703 31.597 -27.783 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.643 31.660 -29.306 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.698 30.532 -27.314 1.00 0.00 C ATOM 0 H LEU A 73 3.318 32.524 -25.502 1.00 0.00 H new ATOM 0 HA LEU A 73 6.130 32.602 -25.498 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.203 33.668 -27.585 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.911 33.363 -27.830 1.00 0.00 H new ATOM 0 HG LEU A 73 3.752 31.285 -27.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.415 30.671 -29.702 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.866 32.361 -29.611 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.605 31.993 -29.695 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.398 29.558 -27.702 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.694 30.778 -27.681 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.711 30.501 -26.225 1.00 0.00 H new ATOM 1151 N THR A 74 4.593 35.496 -25.242 1.00 0.00 N ATOM 1152 CA THR A 74 4.796 36.917 -24.990 1.00 0.00 C ATOM 1153 C THR A 74 5.324 37.158 -23.574 1.00 0.00 C ATOM 1154 O THR A 74 5.993 38.158 -23.323 1.00 0.00 O ATOM 1155 CB THR A 74 3.595 37.780 -25.407 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.065 38.993 -25.959 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.694 38.117 -24.228 1.00 0.00 C ATOM 0 H THR A 74 3.621 35.194 -25.178 1.00 0.00 H new ATOM 0 HA THR A 74 5.588 37.269 -25.651 1.00 0.00 H new ATOM 0 HB THR A 74 3.017 37.207 -26.132 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.303 39.547 -26.228 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.859 38.728 -24.571 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.313 37.196 -23.787 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.264 38.669 -23.480 1.00 0.00 H new ATOM 1165 N LYS A 75 5.051 36.236 -22.643 1.00 0.00 N ATOM 1166 CA LYS A 75 5.525 36.341 -21.270 1.00 0.00 C ATOM 1167 C LYS A 75 7.056 36.249 -21.187 1.00 0.00 C ATOM 1168 O LYS A 75 7.627 36.584 -20.151 1.00 0.00 O ATOM 1169 CB LYS A 75 4.864 35.214 -20.455 1.00 0.00 C ATOM 1170 CG LYS A 75 3.770 35.687 -19.479 1.00 0.00 C ATOM 1171 CD LYS A 75 4.323 36.189 -18.136 1.00 0.00 C ATOM 1172 CE LYS A 75 4.873 35.036 -17.280 1.00 0.00 C ATOM 1173 NZ LYS A 75 5.086 35.442 -15.880 1.00 0.00 N ATOM 0 H LYS A 75 4.496 35.400 -22.826 1.00 0.00 H new ATOM 0 HA LYS A 75 5.252 37.315 -20.865 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.429 34.491 -21.145 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.636 34.691 -19.890 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.196 36.486 -19.948 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.079 34.865 -19.294 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.114 36.917 -18.317 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.535 36.705 -17.588 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.178 34.197 -17.313 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.815 34.687 -17.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.697 34.747 -15.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.541 36.377 -15.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.170 35.490 -15.389 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.301 14.112 -25.782 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.089 13.567 -26.360 1.00 0.00 C ATOM 1590 C LEU B 7 -3.358 12.740 -25.306 1.00 0.00 C ATOM 1591 O LEU B 7 -2.927 11.632 -25.596 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.252 14.668 -27.042 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.772 15.941 -26.300 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.815 16.810 -25.617 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.638 15.714 -25.304 1.00 0.00 C ATOM 0 HA LEU B 7 -4.322 12.879 -27.173 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.358 14.181 -27.432 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.830 15.009 -27.901 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.419 16.496 -27.169 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.326 17.661 -25.143 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.531 17.169 -26.357 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.338 16.224 -24.861 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.371 16.661 -24.835 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.962 15.009 -24.539 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.771 15.310 -25.826 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.237 13.250 -24.077 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.571 12.558 -22.984 1.00 0.00 C ATOM 1609 C LEU B 8 -3.347 11.262 -22.734 1.00 0.00 C ATOM 1610 O LEU B 8 -4.549 11.208 -22.994 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.432 13.430 -21.732 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.725 14.807 -21.823 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.392 14.813 -22.593 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.698 15.938 -22.202 1.00 0.00 C ATOM 0 H LEU B 8 -3.605 14.165 -23.816 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.541 12.324 -23.254 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.436 13.606 -21.346 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.901 12.841 -20.984 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.397 15.028 -20.807 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.020 15.822 -22.599 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.311 14.136 -22.108 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.563 14.485 -23.618 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -2.156 16.882 -22.253 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -3.145 15.723 -23.173 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.483 16.010 -21.449 1.00 0.00 H new