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= 1.01 K(o=1.6,f=-0.2) USER MOD Set 1.2: A 58 GLN : amide:sc= 0.598 K(o=1.6,f=-0.22) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -150:sc= 1.94 (180deg=1.06) USER MOD Set 2.2: A 42 HIS : no HE2:sc= 1.93 K(o=3.9,f=-6.3!) USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0771 X(o=-0.077,f=0) 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= 1.15 USER MOD Single : A 45 ASN : amide:sc= 0.983 K(o=0.98,f=-0.00096) USER MOD Single : A 50 CYS SG : rot 138:sc= -0.696 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.9) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 62 GLN : amide:sc= 0.671 K(o=0.67,f=0) USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.019) USER MOD Single : A 71 MET CE :methyl -179:sc= -0.506 (180deg=-0.508) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -157:sc= 1.24 (180deg=1.07) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.581 7.312 -14.400 1.00 0.00 N ATOM 205 CA GLU A 14 5.183 7.345 -14.009 1.00 0.00 C ATOM 206 C GLU A 14 4.882 8.549 -13.112 1.00 0.00 C ATOM 207 O GLU A 14 3.846 9.184 -13.269 1.00 0.00 O ATOM 208 CB GLU A 14 4.774 6.013 -13.366 1.00 0.00 C ATOM 209 CG GLU A 14 5.582 5.638 -12.118 1.00 0.00 C ATOM 210 CD GLU A 14 5.070 4.326 -11.537 1.00 0.00 C ATOM 211 OE1 GLU A 14 5.502 3.272 -12.052 1.00 0.00 O ATOM 212 OE2 GLU A 14 4.236 4.404 -10.609 1.00 0.00 O ATOM 0 HA GLU A 14 4.575 7.472 -14.904 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.718 6.061 -13.100 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.880 5.219 -14.105 1.00 0.00 H new ATOM 0 HG2 GLU A 14 6.638 5.544 -12.373 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.503 6.430 -11.373 1.00 0.00 H new ATOM 219 N ALA A 15 5.790 8.872 -12.186 1.00 0.00 N ATOM 220 CA ALA A 15 5.643 9.999 -11.264 1.00 0.00 C ATOM 221 C ALA A 15 5.693 11.317 -12.021 1.00 0.00 C ATOM 222 O ALA A 15 4.984 12.269 -11.695 1.00 0.00 O ATOM 223 CB ALA A 15 6.787 10.021 -10.248 1.00 0.00 C ATOM 0 H ALA A 15 6.657 8.351 -12.055 1.00 0.00 H new ATOM 0 HA ALA A 15 4.684 9.878 -10.759 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.658 10.867 -9.573 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.782 9.094 -9.674 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.738 10.118 -10.772 1.00 0.00 H new ATOM 229 N VAL A 16 6.561 11.349 -13.032 1.00 0.00 N ATOM 230 CA VAL A 16 6.760 12.520 -13.865 1.00 0.00 C ATOM 231 C VAL A 16 5.512 12.678 -14.719 1.00 0.00 C ATOM 232 O VAL A 16 5.063 13.801 -14.913 1.00 0.00 O ATOM 233 CB VAL A 16 8.092 12.436 -14.643 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.037 12.784 -16.127 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.194 13.227 -13.962 1.00 0.00 C ATOM 0 H VAL A 16 7.146 10.555 -13.292 1.00 0.00 H new ATOM 0 HA VAL A 16 6.875 13.430 -13.275 1.00 0.00 H new ATOM 0 HB VAL A 16 8.320 11.371 -14.616 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.032 12.688 -16.560 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.353 12.104 -16.635 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.686 13.809 -16.248 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.114 13.142 -14.541 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.902 14.275 -13.896 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.359 12.833 -12.959 1.00 0.00 H new ATOM 245 N GLN A 17 4.935 11.568 -15.194 1.00 0.00 N ATOM 246 CA GLN A 17 3.716 11.628 -15.984 1.00 0.00 C ATOM 247 C GLN A 17 2.565 12.097 -15.106 1.00 0.00 C ATOM 248 O GLN A 17 1.780 12.935 -15.543 1.00 0.00 O ATOM 249 CB GLN A 17 3.391 10.298 -16.680 1.00 0.00 C ATOM 250 CG GLN A 17 2.142 10.454 -17.564 1.00 0.00 C ATOM 251 CD GLN A 17 1.926 9.269 -18.505 1.00 0.00 C ATOM 252 OE1 GLN A 17 2.518 8.209 -18.327 1.00 0.00 O ATOM 253 NE2 GLN A 17 1.073 9.458 -19.511 1.00 0.00 N ATOM 0 H GLN A 17 5.296 10.626 -15.042 1.00 0.00 H new ATOM 0 HA GLN A 17 3.872 12.349 -16.787 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.238 9.980 -17.288 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.224 9.520 -15.935 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.265 10.570 -16.927 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.232 11.367 -18.153 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.603 10.357 -19.619 1.00 0.00 H new ATOM 0 HE22 GLN A 17 0.889 8.704 -20.173 1.00 0.00 H new ATOM 262 N LYS A 18 2.467 11.561 -13.882 1.00 0.00 N ATOM 263 CA LYS A 18 1.393 11.924 -12.964 1.00 0.00 C ATOM 264 C LYS A 18 1.392 13.434 -12.742 1.00 0.00 C ATOM 265 O LYS A 18 0.392 14.101 -12.999 1.00 0.00 O ATOM 266 CB LYS A 18 1.513 11.179 -11.619 1.00 0.00 C ATOM 267 CG LYS A 18 1.334 9.653 -11.707 1.00 0.00 C ATOM 268 CD LYS A 18 0.225 9.112 -10.791 1.00 0.00 C ATOM 269 CE LYS A 18 -1.182 9.472 -11.290 1.00 0.00 C ATOM 270 NZ LYS A 18 -2.230 8.920 -10.412 1.00 0.00 N ATOM 0 H LYS A 18 3.122 10.874 -13.510 1.00 0.00 H new ATOM 0 HA LYS A 18 0.447 11.625 -13.415 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.492 11.391 -11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.768 11.579 -10.931 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.108 9.381 -12.738 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.276 9.169 -11.449 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.315 8.028 -10.719 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.363 9.510 -9.786 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.284 10.556 -11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.318 9.091 -12.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.166 9.184 -10.781 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.148 7.884 -10.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.116 9.303 -9.452 1.00 0.00 H new ATOM 284 N PHE A 19 2.522 13.963 -12.270 1.00 0.00 N ATOM 285 CA PHE A 19 2.669 15.386 -12.011 1.00 0.00 C ATOM 286 C PHE A 19 2.504 16.219 -13.290 1.00 0.00 C ATOM 287 O PHE A 19 1.813 17.236 -13.273 1.00 0.00 O ATOM 288 CB PHE A 19 4.023 15.648 -11.326 1.00 0.00 C ATOM 289 CG PHE A 19 4.512 17.071 -11.499 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.181 17.411 -12.685 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.295 18.053 -10.518 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.614 18.722 -12.896 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.747 19.370 -10.727 1.00 0.00 C ATOM 294 CZ PHE A 19 5.405 19.703 -11.927 1.00 0.00 C ATOM 0 H PHE A 19 3.356 13.414 -12.059 1.00 0.00 H new ATOM 0 HA PHE A 19 1.872 15.702 -11.338 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.934 15.428 -10.262 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.767 14.963 -11.732 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.361 16.657 -13.437 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.781 17.798 -9.603 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.115 18.978 -13.818 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.590 20.123 -9.969 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.746 20.714 -12.096 1.00 0.00 H new ATOM 304 N PHE A 20 3.153 15.806 -14.387 1.00 0.00 N ATOM 305 CA PHE A 20 3.122 16.533 -15.655 1.00 0.00 C ATOM 306 C PHE A 20 1.664 16.765 -16.058 1.00 0.00 C ATOM 307 O PHE A 20 1.262 17.892 -16.342 1.00 0.00 O ATOM 308 CB PHE A 20 3.919 15.753 -16.709 1.00 0.00 C ATOM 309 CG PHE A 20 3.834 16.184 -18.152 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.119 17.512 -18.508 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.495 15.244 -19.144 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.066 17.902 -19.855 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.444 15.634 -20.490 1.00 0.00 C ATOM 314 CZ PHE A 20 3.734 16.961 -20.843 1.00 0.00 C ATOM 0 H PHE A 20 3.715 14.955 -14.416 1.00 0.00 H new ATOM 0 HA PHE A 20 3.594 17.511 -15.560 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.969 15.783 -16.417 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.603 14.711 -16.657 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.379 18.232 -17.746 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.274 14.223 -18.868 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.280 18.924 -20.131 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.182 14.915 -21.253 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.702 17.260 -21.880 1.00 0.00 H new ATOM 324 N LEU A 21 0.865 15.693 -16.045 1.00 0.00 N ATOM 325 CA LEU A 21 -0.553 15.765 -16.354 1.00 0.00 C ATOM 326 C LEU A 21 -1.307 16.551 -15.296 1.00 0.00 C ATOM 327 O LEU A 21 -2.226 17.288 -15.648 1.00 0.00 O ATOM 328 CB LEU A 21 -1.148 14.353 -16.494 1.00 0.00 C ATOM 329 CG LEU A 21 -1.449 13.893 -17.928 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.720 12.384 -17.863 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.655 14.683 -18.453 1.00 0.00 C ATOM 0 H LEU A 21 1.191 14.753 -15.819 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.661 16.287 -17.305 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.457 13.642 -16.042 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.072 14.310 -15.917 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.621 14.076 -18.613 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.940 12.010 -18.863 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.841 11.873 -17.470 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.572 12.195 -17.210 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.881 14.367 -19.471 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.518 14.496 -17.815 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.423 15.748 -18.446 1.00 0.00 H new ATOM 343 N GLU A 22 -0.945 16.429 -14.015 1.00 0.00 N ATOM 344 CA GLU A 22 -1.623 17.210 -12.992 1.00 0.00 C ATOM 345 C GLU A 22 -1.448 18.698 -13.312 1.00 0.00 C ATOM 346 O GLU A 22 -2.337 19.485 -13.015 1.00 0.00 O ATOM 347 CB GLU A 22 -1.103 16.882 -11.578 1.00 0.00 C ATOM 348 CG GLU A 22 -1.981 17.553 -10.509 1.00 0.00 C ATOM 349 CD GLU A 22 -1.533 17.270 -9.078 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.400 16.778 -8.879 1.00 0.00 O ATOM 351 OE2 GLU A 22 -2.319 17.611 -8.165 1.00 0.00 O ATOM 0 H GLU A 22 -0.207 15.813 -13.674 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.683 16.954 -12.998 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.099 15.802 -11.428 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.072 17.222 -11.476 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.979 18.630 -10.674 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.010 17.214 -10.632 1.00 0.00 H new ATOM 358 N GLU A 23 -0.316 19.079 -13.919 1.00 0.00 N ATOM 359 CA GLU A 23 0.014 20.451 -14.265 1.00 0.00 C ATOM 360 C GLU A 23 -0.690 20.874 -15.556 1.00 0.00 C ATOM 361 O GLU A 23 -1.245 21.968 -15.612 1.00 0.00 O ATOM 362 CB GLU A 23 1.536 20.611 -14.297 1.00 0.00 C ATOM 363 CG GLU A 23 1.908 22.088 -14.226 1.00 0.00 C ATOM 364 CD GLU A 23 3.351 22.251 -13.773 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.218 21.558 -14.350 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.553 23.051 -12.831 1.00 0.00 O ATOM 0 H GLU A 23 0.411 18.415 -14.187 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.359 21.136 -13.503 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.984 20.074 -13.461 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.937 20.170 -15.210 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.773 22.551 -15.204 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.243 22.604 -13.534 1.00 0.00 H new ATOM 373 N ILE A 24 -0.702 20.006 -16.579 1.00 0.00 N ATOM 374 CA ILE A 24 -1.411 20.261 -17.845 1.00 0.00 C ATOM 375 C ILE A 24 -2.884 20.559 -17.493 1.00 0.00 C ATOM 376 O ILE A 24 -3.458 21.552 -17.955 1.00 0.00 O ATOM 377 CB ILE A 24 -1.216 19.088 -18.882 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.140 19.345 -19.979 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.513 18.561 -19.527 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.372 18.559 -21.271 1.00 0.00 C ATOM 0 H ILE A 24 -0.221 19.107 -16.553 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.993 21.126 -18.359 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.834 18.299 -18.234 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.120 20.410 -20.212 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.841 19.087 -19.580 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.273 17.758 -20.223 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.177 18.182 -18.751 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.007 19.371 -20.064 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.418 18.791 -21.985 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.362 17.491 -21.054 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.337 18.834 -21.696 1.00 0.00 H new ATOM 392 N GLN A 25 -3.474 19.692 -16.654 1.00 0.00 N ATOM 393 CA GLN A 25 -4.864 19.793 -16.214 1.00 0.00 C ATOM 394 C GLN A 25 -5.083 20.999 -15.301 1.00 0.00 C ATOM 395 O GLN A 25 -5.978 21.804 -15.540 1.00 0.00 O ATOM 396 CB GLN A 25 -5.302 18.474 -15.543 1.00 0.00 C ATOM 397 CG GLN A 25 -5.290 17.223 -16.451 1.00 0.00 C ATOM 398 CD GLN A 25 -5.510 15.946 -15.648 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.562 15.317 -15.733 1.00 0.00 O ATOM 400 NE2 GLN A 25 -4.504 15.549 -14.871 1.00 0.00 N ATOM 0 H GLN A 25 -2.985 18.889 -16.259 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.492 19.954 -17.090 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.649 18.287 -14.690 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.310 18.605 -15.150 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.068 17.315 -17.209 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.337 17.163 -16.977 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.646 16.099 -14.827 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.592 14.695 -14.320 1.00 0.00 H new ATOM 409 N LEU A 26 -4.262 21.132 -14.258 1.00 0.00 N ATOM 410 CA LEU A 26 -4.333 22.242 -13.302 1.00 0.00 C ATOM 411 C LEU A 26 -4.296 23.569 -14.057 1.00 0.00 C ATOM 412 O LEU A 26 -5.102 24.452 -13.775 1.00 0.00 O ATOM 413 CB LEU A 26 -3.234 22.091 -12.233 1.00 0.00 C ATOM 414 CG LEU A 26 -2.967 23.200 -11.214 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.455 24.510 -11.810 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.193 23.434 -10.351 1.00 0.00 C ATOM 0 H LEU A 26 -3.519 20.465 -14.050 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.278 22.225 -12.758 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.460 21.187 -11.668 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.298 21.911 -12.761 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.146 22.836 -10.596 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.295 25.235 -11.012 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.514 24.330 -12.331 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.190 24.901 -12.514 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.986 24.226 -9.632 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.032 23.728 -10.982 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.444 22.517 -9.818 1.00 0.00 H new ATOM 428 N GLY A 27 -3.384 23.703 -15.026 1.00 0.00 N ATOM 429 CA GLY A 27 -3.270 24.900 -15.842 1.00 0.00 C ATOM 430 C GLY A 27 -4.569 25.122 -16.586 1.00 0.00 C ATOM 431 O GLY A 27 -5.281 26.057 -16.238 1.00 0.00 O ATOM 0 H GLY A 27 -2.706 22.978 -15.261 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.045 25.762 -15.214 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.446 24.796 -16.548 1.00 0.00 H new ATOM 435 N GLU A 28 -4.909 24.298 -17.589 1.00 0.00 N ATOM 436 CA GLU A 28 -6.172 24.542 -18.297 1.00 0.00 C ATOM 437 C GLU A 28 -7.389 24.793 -17.383 1.00 0.00 C ATOM 438 O GLU A 28 -8.254 25.586 -17.737 1.00 0.00 O ATOM 439 CB GLU A 28 -6.457 23.490 -19.360 1.00 0.00 C ATOM 440 CG GLU A 28 -6.805 22.172 -18.689 1.00 0.00 C ATOM 441 CD GLU A 28 -7.178 21.082 -19.682 1.00 0.00 C ATOM 442 OE1 GLU A 28 -7.712 21.440 -20.758 1.00 0.00 O ATOM 443 OE2 GLU A 28 -6.931 19.900 -19.367 1.00 0.00 O ATOM 0 H GLU A 28 -4.362 23.501 -17.914 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.014 25.490 -18.811 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -7.280 23.815 -19.996 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -5.587 23.364 -20.004 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.956 21.838 -18.093 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.635 22.329 -18.001 1.00 0.00 H new ATOM 450 N GLU A 29 -7.451 24.146 -16.213 1.00 0.00 N ATOM 451 CA GLU A 29 -8.536 24.319 -15.246 1.00 0.00 C ATOM 452 C GLU A 29 -8.459 25.725 -14.639 1.00 0.00 C ATOM 453 O GLU A 29 -9.469 26.409 -14.515 1.00 0.00 O ATOM 454 CB GLU A 29 -8.490 23.219 -14.177 1.00 0.00 C ATOM 455 CG GLU A 29 -9.643 23.274 -13.167 1.00 0.00 C ATOM 456 CD GLU A 29 -10.988 22.933 -13.803 1.00 0.00 C ATOM 457 OE1 GLU A 29 -11.290 21.721 -13.875 1.00 0.00 O ATOM 458 OE2 GLU A 29 -11.691 23.885 -14.202 1.00 0.00 O ATOM 0 H GLU A 29 -6.740 23.481 -15.910 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.497 24.223 -15.751 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.501 22.247 -14.671 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.546 23.292 -13.637 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.442 22.579 -12.352 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.693 24.271 -12.730 1.00 0.00 H new ATOM 465 N LEU A 30 -7.262 26.196 -14.278 1.00 0.00 N ATOM 466 CA LEU A 30 -7.108 27.549 -13.762 1.00 0.00 C ATOM 467 C LEU A 30 -7.514 28.528 -14.860 1.00 0.00 C ATOM 468 O LEU A 30 -8.172 29.529 -14.584 1.00 0.00 O ATOM 469 CB LEU A 30 -5.667 27.818 -13.294 1.00 0.00 C ATOM 470 CG LEU A 30 -5.347 27.519 -11.819 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.878 27.884 -11.570 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.199 28.344 -10.841 1.00 0.00 C ATOM 0 H LEU A 30 -6.395 25.662 -14.335 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.748 27.677 -12.889 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.993 27.227 -13.914 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.438 28.867 -13.485 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.560 26.464 -11.645 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.624 27.681 -10.530 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.239 27.288 -12.222 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.725 28.942 -11.781 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.927 28.089 -9.817 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.021 29.406 -11.010 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.254 28.123 -11.002 1.00 0.00 H new ATOM 484 N LEU A 31 -7.154 28.237 -16.112 1.00 0.00 N ATOM 485 CA LEU A 31 -7.539 29.083 -17.244 1.00 0.00 C ATOM 486 C LEU A 31 -9.049 29.044 -17.408 1.00 0.00 C ATOM 487 O LEU A 31 -9.661 30.055 -17.743 1.00 0.00 O ATOM 488 CB LEU A 31 -6.839 28.619 -18.504 1.00 0.00 C ATOM 489 CG LEU A 31 -5.369 29.039 -18.496 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.642 29.048 -17.153 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.639 28.062 -19.392 1.00 0.00 C ATOM 0 H LEU A 31 -6.596 27.422 -16.368 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.235 30.112 -17.055 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.911 27.535 -18.587 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.337 29.039 -19.378 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.365 30.081 -18.817 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.610 29.366 -17.300 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.141 29.739 -16.474 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.656 28.046 -16.725 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.580 28.317 -19.422 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.758 27.051 -19.001 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.053 28.112 -20.399 1.00 0.00 H new ATOM 503 N ALA A 32 -9.642 27.885 -17.113 1.00 0.00 N ATOM 504 CA ALA A 32 -11.087 27.718 -17.105 1.00 0.00 C ATOM 505 C ALA A 32 -11.722 28.706 -16.117 1.00 0.00 C ATOM 506 O ALA A 32 -12.893 29.052 -16.260 1.00 0.00 O ATOM 507 CB ALA A 32 -11.490 26.268 -16.806 1.00 0.00 C ATOM 0 H ALA A 32 -9.128 27.037 -16.873 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.466 27.941 -18.102 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.577 26.184 -16.809 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.073 25.610 -17.569 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.106 25.978 -15.828 1.00 0.00 H new ATOM 513 N GLN A 33 -10.938 29.184 -15.137 1.00 0.00 N ATOM 514 CA GLN A 33 -11.335 30.177 -14.154 1.00 0.00 C ATOM 515 C GLN A 33 -10.977 31.559 -14.713 1.00 0.00 C ATOM 516 O GLN A 33 -11.713 32.524 -14.518 1.00 0.00 O ATOM 517 CB GLN A 33 -10.652 29.879 -12.808 1.00 0.00 C ATOM 518 CG GLN A 33 -11.692 29.811 -11.684 1.00 0.00 C ATOM 519 CD GLN A 33 -11.053 29.526 -10.327 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.365 28.527 -9.686 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.160 30.406 -9.871 1.00 0.00 N ATOM 0 H GLN A 33 -9.975 28.870 -15.012 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.408 30.150 -13.966 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.111 28.935 -12.869 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.918 30.653 -12.586 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.236 30.754 -11.637 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.421 29.033 -11.912 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.922 31.227 -10.428 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.715 30.258 -8.965 1.00 0.00 H new ATOM 530 N GLY A 34 -9.848 31.627 -15.430 1.00 0.00 N ATOM 531 CA GLY A 34 -9.319 32.799 -16.112 1.00 0.00 C ATOM 532 C GLY A 34 -7.860 33.111 -15.780 1.00 0.00 C ATOM 533 O GLY A 34 -7.387 34.179 -16.169 1.00 0.00 O ATOM 0 H GLY A 34 -9.248 30.811 -15.552 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.412 32.652 -17.188 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.931 33.663 -15.854 1.00 0.00 H new ATOM 537 N ASP A 35 -7.136 32.230 -15.069 1.00 0.00 N ATOM 538 CA ASP A 35 -5.754 32.540 -14.679 1.00 0.00 C ATOM 539 C ASP A 35 -4.686 32.172 -15.722 1.00 0.00 C ATOM 540 O ASP A 35 -3.788 31.371 -15.467 1.00 0.00 O ATOM 541 CB ASP A 35 -5.447 32.004 -13.276 1.00 0.00 C ATOM 542 CG ASP A 35 -4.282 32.746 -12.618 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.426 33.280 -13.361 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.262 32.750 -11.370 1.00 0.00 O ATOM 0 H ASP A 35 -7.476 31.319 -14.760 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.692 33.628 -14.640 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.335 32.097 -12.651 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.211 30.942 -13.338 1.00 0.00 H new ATOM 549 N TYR A 36 -4.773 32.796 -16.898 1.00 0.00 N ATOM 550 CA TYR A 36 -3.860 32.664 -18.031 1.00 0.00 C ATOM 551 C TYR A 36 -2.401 32.788 -17.615 1.00 0.00 C ATOM 552 O TYR A 36 -1.553 32.027 -18.078 1.00 0.00 O ATOM 553 CB TYR A 36 -4.208 33.706 -19.101 1.00 0.00 C ATOM 554 CG TYR A 36 -5.693 33.946 -19.314 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.534 32.897 -19.730 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.238 35.225 -19.087 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.909 33.124 -19.916 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.612 35.452 -19.274 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.447 34.401 -19.690 1.00 0.00 C ATOM 560 OH TYR A 36 -9.779 34.621 -19.870 1.00 0.00 O ATOM 0 H TYR A 36 -5.532 33.448 -17.095 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.985 31.663 -18.444 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.739 34.652 -18.830 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.768 33.392 -20.047 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.122 31.915 -19.907 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.597 36.034 -18.768 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.552 32.316 -20.233 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.026 36.434 -19.098 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.986 35.558 -19.670 1.00 0.00 H new ATOM 570 N GLU A 37 -2.124 33.748 -16.734 1.00 0.00 N ATOM 571 CA GLU A 37 -0.783 33.995 -16.227 1.00 0.00 C ATOM 572 C GLU A 37 -0.251 32.737 -15.555 1.00 0.00 C ATOM 573 O GLU A 37 0.874 32.311 -15.817 1.00 0.00 O ATOM 574 CB GLU A 37 -0.730 35.241 -15.333 1.00 0.00 C ATOM 575 CG GLU A 37 0.723 35.610 -14.992 1.00 0.00 C ATOM 576 CD GLU A 37 0.986 37.100 -15.173 1.00 0.00 C ATOM 577 OE1 GLU A 37 1.153 37.500 -16.346 1.00 0.00 O ATOM 578 OE2 GLU A 37 1.011 37.813 -14.147 1.00 0.00 O ATOM 0 H GLU A 37 -2.830 34.377 -16.352 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.119 34.222 -17.061 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.213 36.077 -15.839 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.288 35.059 -14.415 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.938 35.325 -13.962 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.401 35.041 -15.628 1.00 0.00 H new ATOM 585 N LYS A 38 -1.087 32.125 -14.720 1.00 0.00 N ATOM 586 CA LYS A 38 -0.712 30.882 -14.067 1.00 0.00 C ATOM 587 C LYS A 38 -0.574 29.766 -15.096 1.00 0.00 C ATOM 588 O LYS A 38 0.285 28.904 -14.928 1.00 0.00 O ATOM 589 CB LYS A 38 -1.638 30.517 -12.903 1.00 0.00 C ATOM 590 CG LYS A 38 -1.362 31.359 -11.642 1.00 0.00 C ATOM 591 CD LYS A 38 -0.013 31.084 -10.947 1.00 0.00 C ATOM 592 CE LYS A 38 0.023 29.718 -10.247 1.00 0.00 C ATOM 593 NZ LYS A 38 1.398 29.197 -10.124 1.00 0.00 N ATOM 0 H LYS A 38 -2.018 32.468 -14.484 1.00 0.00 H new ATOM 0 HA LYS A 38 0.265 31.028 -13.606 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.674 30.657 -13.210 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.517 29.460 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.403 32.414 -11.913 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -2.164 31.183 -10.925 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.788 31.131 -11.685 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.181 31.868 -10.215 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.421 29.807 -9.256 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.585 29.008 -10.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.378 28.157 -10.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.973 29.545 -10.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.813 29.521 -9.227 1.00 0.00 H new ATOM 607 N GLY A 39 -1.367 29.781 -16.174 1.00 0.00 N ATOM 608 CA GLY A 39 -1.216 28.785 -17.220 1.00 0.00 C ATOM 609 C GLY A 39 0.143 28.925 -17.877 1.00 0.00 C ATOM 610 O GLY A 39 0.744 27.915 -18.211 1.00 0.00 O ATOM 0 H GLY A 39 -2.107 30.464 -16.336 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.325 27.785 -16.800 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.003 28.905 -17.964 1.00 0.00 H new ATOM 614 N VAL A 40 0.646 30.149 -18.070 1.00 0.00 N ATOM 615 CA VAL A 40 1.953 30.324 -18.691 1.00 0.00 C ATOM 616 C VAL A 40 3.021 29.669 -17.810 1.00 0.00 C ATOM 617 O VAL A 40 3.854 28.910 -18.297 1.00 0.00 O ATOM 618 CB VAL A 40 2.267 31.817 -18.956 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.724 31.955 -19.410 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.356 32.471 -20.014 1.00 0.00 C ATOM 0 H VAL A 40 0.175 31.015 -17.809 1.00 0.00 H new ATOM 0 HA VAL A 40 1.949 29.835 -19.665 1.00 0.00 H new ATOM 0 HB VAL A 40 2.085 32.338 -18.016 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.949 33.005 -19.598 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.385 31.576 -18.631 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.876 31.382 -20.325 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.639 33.516 -20.142 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.466 31.946 -20.963 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.318 32.414 -19.686 1.00 0.00 H new ATOM 630 N ASP A 41 2.984 29.968 -16.511 1.00 0.00 N ATOM 631 CA ASP A 41 3.918 29.457 -15.514 1.00 0.00 C ATOM 632 C ASP A 41 3.867 27.933 -15.446 1.00 0.00 C ATOM 633 O ASP A 41 4.879 27.250 -15.590 1.00 0.00 O ATOM 634 CB ASP A 41 3.608 30.105 -14.147 1.00 0.00 C ATOM 635 CG ASP A 41 4.065 29.278 -12.949 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.284 29.021 -12.854 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.174 28.927 -12.142 1.00 0.00 O ATOM 0 H ASP A 41 2.281 30.592 -16.114 1.00 0.00 H new ATOM 0 HA ASP A 41 4.936 29.723 -15.801 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.087 31.083 -14.104 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.534 30.272 -14.071 1.00 0.00 H new ATOM 642 N HIS A 42 2.672 27.402 -15.218 1.00 0.00 N ATOM 643 CA HIS A 42 2.442 25.977 -15.081 1.00 0.00 C ATOM 644 C HIS A 42 2.737 25.248 -16.373 1.00 0.00 C ATOM 645 O HIS A 42 3.260 24.137 -16.336 1.00 0.00 O ATOM 646 CB HIS A 42 1.043 25.674 -14.537 1.00 0.00 C ATOM 647 CG HIS A 42 0.979 25.851 -13.043 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.776 25.115 -12.178 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.229 26.669 -12.237 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.482 25.514 -10.930 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.543 26.463 -10.894 1.00 0.00 N ATOM 0 H HIS A 42 1.825 27.962 -15.122 1.00 0.00 H new ATOM 0 HA HIS A 42 3.143 25.598 -14.338 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.316 26.332 -15.013 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.765 24.652 -14.795 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.458 24.404 -12.441 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.505 27.376 -12.594 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.955 25.110 -10.048 1.00 0.00 H new ATOM 659 N LEU A 43 2.438 25.859 -17.523 1.00 0.00 N ATOM 660 CA LEU A 43 2.757 25.175 -18.759 1.00 0.00 C ATOM 661 C LEU A 43 4.279 25.149 -18.844 1.00 0.00 C ATOM 662 O LEU A 43 4.842 24.102 -19.134 1.00 0.00 O ATOM 663 CB LEU A 43 2.086 25.792 -19.995 1.00 0.00 C ATOM 664 CG LEU A 43 1.848 24.711 -21.063 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.467 24.061 -20.875 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.864 25.319 -22.465 1.00 0.00 C ATOM 0 H LEU A 43 2.000 26.775 -17.616 1.00 0.00 H new ATOM 0 HA LEU A 43 2.354 24.162 -18.751 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.138 26.250 -19.713 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.714 26.584 -20.402 1.00 0.00 H new ATOM 0 HG LEU A 43 2.644 23.975 -20.954 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.316 23.299 -21.640 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.413 23.601 -19.888 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.308 24.822 -20.964 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.694 24.535 -23.203 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.078 26.070 -22.545 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.832 25.786 -22.648 1.00 0.00 H new ATOM 678 N THR A 44 4.951 26.276 -18.554 1.00 0.00 N ATOM 679 CA THR A 44 6.416 26.328 -18.594 1.00 0.00 C ATOM 680 C THR A 44 7.018 25.209 -17.726 1.00 0.00 C ATOM 681 O THR A 44 8.014 24.577 -18.083 1.00 0.00 O ATOM 682 CB THR A 44 6.957 27.714 -18.206 1.00 0.00 C ATOM 683 OG1 THR A 44 6.485 28.679 -19.122 1.00 0.00 O ATOM 684 CG2 THR A 44 8.488 27.747 -18.271 1.00 0.00 C ATOM 0 H THR A 44 4.504 27.155 -18.292 1.00 0.00 H new ATOM 0 HA THR A 44 6.729 26.159 -19.624 1.00 0.00 H new ATOM 0 HB THR A 44 6.621 27.925 -17.191 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.539 28.863 -18.945 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.843 28.739 -17.992 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.897 27.008 -17.582 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.814 27.517 -19.285 1.00 0.00 H new ATOM 692 N ASN A 45 6.386 24.959 -16.580 1.00 0.00 N ATOM 693 CA ASN A 45 6.816 23.924 -15.646 1.00 0.00 C ATOM 694 C ASN A 45 6.587 22.544 -16.273 1.00 0.00 C ATOM 695 O ASN A 45 7.444 21.658 -16.179 1.00 0.00 O ATOM 696 CB ASN A 45 6.123 24.061 -14.285 1.00 0.00 C ATOM 697 CG ASN A 45 6.785 25.091 -13.373 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.726 24.772 -12.651 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.294 26.327 -13.385 1.00 0.00 N ATOM 0 H ASN A 45 5.559 25.471 -16.274 1.00 0.00 H new ATOM 0 HA ASN A 45 7.882 24.045 -15.454 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.081 24.341 -14.442 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.121 23.092 -13.786 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.700 27.043 -12.782 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.511 26.559 -13.997 1.00 0.00 H new ATOM 706 N ALA A 46 5.443 22.368 -16.947 1.00 0.00 N ATOM 707 CA ALA A 46 5.124 21.121 -17.615 1.00 0.00 C ATOM 708 C ALA A 46 6.262 20.802 -18.604 1.00 0.00 C ATOM 709 O ALA A 46 6.750 19.674 -18.658 1.00 0.00 O ATOM 710 CB ALA A 46 3.699 21.183 -18.191 1.00 0.00 C ATOM 0 H ALA A 46 4.724 23.086 -17.038 1.00 0.00 H new ATOM 0 HA ALA A 46 5.085 20.271 -16.934 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.467 20.243 -18.691 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.987 21.349 -17.383 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.632 22.001 -18.908 1.00 0.00 H new ATOM 716 N ILE A 47 6.737 21.813 -19.349 1.00 0.00 N ATOM 717 CA ILE A 47 7.874 21.656 -20.261 1.00 0.00 C ATOM 718 C ILE A 47 9.141 21.281 -19.499 1.00 0.00 C ATOM 719 O ILE A 47 9.944 20.489 -19.990 1.00 0.00 O ATOM 720 CB ILE A 47 8.151 22.923 -21.114 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.114 23.131 -22.242 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.580 22.933 -21.694 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.819 23.742 -21.723 1.00 0.00 C ATOM 0 H ILE A 47 6.345 22.755 -19.334 1.00 0.00 H new ATOM 0 HA ILE A 47 7.596 20.851 -20.941 1.00 0.00 H new ATOM 0 HB ILE A 47 8.055 23.761 -20.424 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.538 23.779 -23.009 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.898 22.174 -22.717 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.727 23.838 -22.283 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.304 22.909 -20.879 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.721 22.059 -22.330 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.120 23.870 -22.550 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.379 23.082 -20.975 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.029 24.712 -21.272 1.00 0.00 H new ATOM 735 N ALA A 48 9.330 21.871 -18.321 1.00 0.00 N ATOM 736 CA ALA A 48 10.514 21.666 -17.500 1.00 0.00 C ATOM 737 C ALA A 48 10.666 20.208 -17.117 1.00 0.00 C ATOM 738 O ALA A 48 11.788 19.719 -16.994 1.00 0.00 O ATOM 739 CB ALA A 48 10.521 22.556 -16.254 1.00 0.00 C ATOM 0 H ALA A 48 8.654 22.513 -17.907 1.00 0.00 H new ATOM 0 HA ALA A 48 11.371 21.957 -18.108 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.425 22.365 -15.675 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.497 23.603 -16.555 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.646 22.334 -15.643 1.00 0.00 H new ATOM 745 N VAL A 49 9.535 19.524 -16.941 1.00 0.00 N ATOM 746 CA VAL A 49 9.551 18.126 -16.571 1.00 0.00 C ATOM 747 C VAL A 49 9.332 17.211 -17.772 1.00 0.00 C ATOM 748 O VAL A 49 9.579 16.012 -17.653 1.00 0.00 O ATOM 749 CB VAL A 49 8.527 17.883 -15.463 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.752 18.892 -14.333 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.068 17.949 -15.922 1.00 0.00 C ATOM 0 H VAL A 49 8.603 19.923 -17.051 1.00 0.00 H new ATOM 0 HA VAL A 49 10.541 17.876 -16.189 1.00 0.00 H new ATOM 0 HB VAL A 49 8.689 16.860 -15.122 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.023 18.720 -13.541 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.758 18.771 -13.932 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.636 19.904 -14.720 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.411 17.765 -15.072 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.861 18.937 -16.334 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.893 17.193 -16.687 1.00 0.00 H new ATOM 761 N CYS A 50 8.876 17.744 -18.914 1.00 0.00 N ATOM 762 CA CYS A 50 8.639 16.910 -20.085 1.00 0.00 C ATOM 763 C CYS A 50 9.895 16.827 -20.951 1.00 0.00 C ATOM 764 O CYS A 50 10.280 15.740 -21.374 1.00 0.00 O ATOM 765 CB CYS A 50 7.398 17.400 -20.819 1.00 0.00 C ATOM 766 SG CYS A 50 6.909 16.182 -22.053 1.00 0.00 S ATOM 0 H CYS A 50 8.669 18.734 -19.045 1.00 0.00 H new ATOM 0 HA CYS A 50 8.431 15.883 -19.785 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.585 17.563 -20.112 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.601 18.358 -21.298 1.00 0.00 H new ATOM 0 HG CYS A 50 5.616 16.045 -22.039 1.00 0.00 H new ATOM 772 N GLY A 51 10.551 17.968 -21.203 1.00 0.00 N ATOM 773 CA GLY A 51 11.788 18.019 -21.974 1.00 0.00 C ATOM 774 C GLY A 51 11.577 18.081 -23.486 1.00 0.00 C ATOM 775 O GLY A 51 12.532 18.320 -24.221 1.00 0.00 O ATOM 0 H GLY A 51 10.233 18.880 -20.875 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.363 18.891 -21.662 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.388 17.140 -21.737 1.00 0.00 H new ATOM 779 N GLN A 52 10.340 17.881 -23.951 1.00 0.00 N ATOM 780 CA GLN A 52 9.958 17.927 -25.354 1.00 0.00 C ATOM 781 C GLN A 52 8.930 19.047 -25.531 1.00 0.00 C ATOM 782 O GLN A 52 7.771 18.768 -25.840 1.00 0.00 O ATOM 783 CB GLN A 52 9.493 16.535 -25.790 1.00 0.00 C ATOM 784 CG GLN A 52 8.406 15.852 -24.955 1.00 0.00 C ATOM 785 CD GLN A 52 7.967 14.534 -25.585 1.00 0.00 C ATOM 786 OE1 GLN A 52 6.832 14.401 -26.032 1.00 0.00 O ATOM 787 NE2 GLN A 52 8.866 13.551 -25.626 1.00 0.00 N ATOM 0 H GLN A 52 9.554 17.676 -23.334 1.00 0.00 H new ATOM 0 HA GLN A 52 10.791 18.171 -26.013 1.00 0.00 H new ATOM 0 HB2 GLN A 52 9.131 16.609 -26.816 1.00 0.00 H new ATOM 0 HB3 GLN A 52 10.364 15.880 -25.806 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.780 15.669 -23.948 1.00 0.00 H new ATOM 0 HG3 GLN A 52 7.547 16.516 -24.860 1.00 0.00 H new ATOM 0 HE21 GLN A 52 9.800 13.698 -25.244 1.00 0.00 H new ATOM 0 HE22 GLN A 52 8.620 12.652 -26.039 1.00 0.00 H new ATOM 796 N PRO A 53 9.327 20.323 -25.336 1.00 0.00 N ATOM 797 CA PRO A 53 8.421 21.448 -25.463 1.00 0.00 C ATOM 798 C PRO A 53 7.666 21.447 -26.776 1.00 0.00 C ATOM 799 O PRO A 53 6.449 21.492 -26.771 1.00 0.00 O ATOM 800 CB PRO A 53 9.264 22.723 -25.336 1.00 0.00 C ATOM 801 CG PRO A 53 10.701 22.250 -25.525 1.00 0.00 C ATOM 802 CD PRO A 53 10.650 20.828 -24.978 1.00 0.00 C ATOM 0 HA PRO A 53 7.663 21.387 -24.682 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.986 23.459 -26.090 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.126 23.195 -24.363 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.002 22.272 -26.572 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.409 22.871 -24.977 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.437 20.211 -25.412 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.796 20.817 -23.898 1.00 0.00 H new ATOM 810 N GLN A 54 8.404 21.415 -27.881 1.00 0.00 N ATOM 811 CA GLN A 54 7.869 21.468 -29.234 1.00 0.00 C ATOM 812 C GLN A 54 6.812 20.393 -29.468 1.00 0.00 C ATOM 813 O GLN A 54 5.746 20.695 -30.004 1.00 0.00 O ATOM 814 CB GLN A 54 9.017 21.383 -30.254 1.00 0.00 C ATOM 815 CG GLN A 54 10.122 22.443 -30.061 1.00 0.00 C ATOM 816 CD GLN A 54 11.163 22.398 -31.180 1.00 0.00 C ATOM 817 OE1 GLN A 54 11.182 21.473 -31.988 1.00 0.00 O ATOM 818 NE2 GLN A 54 12.042 23.397 -31.231 1.00 0.00 N ATOM 0 H GLN A 54 9.422 21.349 -27.857 1.00 0.00 H new ATOM 0 HA GLN A 54 7.363 22.424 -29.369 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.467 20.392 -30.194 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.604 21.486 -31.257 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.671 23.435 -30.026 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.614 22.283 -29.102 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.999 24.150 -30.544 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.759 23.409 -31.957 1.00 0.00 H new ATOM 827 N GLN A 55 7.087 19.150 -29.054 1.00 0.00 N ATOM 828 CA GLN A 55 6.112 18.081 -29.219 1.00 0.00 C ATOM 829 C GLN A 55 4.838 18.433 -28.458 1.00 0.00 C ATOM 830 O GLN A 55 3.734 18.247 -28.968 1.00 0.00 O ATOM 831 CB GLN A 55 6.679 16.712 -28.811 1.00 0.00 C ATOM 832 CG GLN A 55 5.687 15.559 -29.042 1.00 0.00 C ATOM 833 CD GLN A 55 5.238 15.434 -30.498 1.00 0.00 C ATOM 834 OE1 GLN A 55 5.838 14.696 -31.274 1.00 0.00 O ATOM 835 NE2 GLN A 55 4.181 16.153 -30.878 1.00 0.00 N ATOM 0 H GLN A 55 7.962 18.869 -28.611 1.00 0.00 H new ATOM 0 HA GLN A 55 5.867 17.992 -30.277 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.590 16.519 -29.377 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.957 16.739 -27.758 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.149 14.623 -28.729 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.812 15.709 -28.410 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.706 16.756 -30.206 1.00 0.00 H new ATOM 0 HE22 GLN A 55 3.847 16.100 -31.840 1.00 0.00 H new ATOM 844 N LEU A 56 4.994 18.964 -27.245 1.00 0.00 N ATOM 845 CA LEU A 56 3.858 19.367 -26.443 1.00 0.00 C ATOM 846 C LEU A 56 3.138 20.559 -27.080 1.00 0.00 C ATOM 847 O LEU A 56 1.915 20.586 -27.096 1.00 0.00 O ATOM 848 CB LEU A 56 4.268 19.636 -24.985 1.00 0.00 C ATOM 849 CG LEU A 56 3.063 19.895 -24.066 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.181 18.646 -23.881 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.590 20.386 -22.715 1.00 0.00 C ATOM 0 H LEU A 56 5.900 19.122 -26.804 1.00 0.00 H new ATOM 0 HA LEU A 56 3.147 18.541 -26.416 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.831 18.782 -24.607 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.935 20.497 -24.953 1.00 0.00 H new ATOM 0 HG LEU A 56 2.427 20.649 -24.530 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.345 18.885 -23.223 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.800 18.323 -24.850 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.773 17.845 -23.439 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.752 20.577 -22.045 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.237 19.625 -22.279 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.157 21.306 -22.858 1.00 0.00 H new ATOM 863 N LEU A 57 3.854 21.548 -27.621 1.00 0.00 N ATOM 864 CA LEU A 57 3.198 22.698 -28.241 1.00 0.00 C ATOM 865 C LEU A 57 2.374 22.222 -29.438 1.00 0.00 C ATOM 866 O LEU A 57 1.270 22.716 -29.666 1.00 0.00 O ATOM 867 CB LEU A 57 4.170 23.845 -28.572 1.00 0.00 C ATOM 868 CG LEU A 57 5.085 24.331 -27.423 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.627 25.733 -27.710 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.443 24.329 -26.026 1.00 0.00 C ATOM 0 H LEU A 57 4.873 21.575 -27.642 1.00 0.00 H new ATOM 0 HA LEU A 57 2.515 23.143 -27.517 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.803 23.527 -29.400 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.586 24.695 -28.925 1.00 0.00 H new ATOM 0 HG LEU A 57 5.888 23.594 -27.397 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.267 26.051 -26.887 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.205 25.718 -28.634 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.796 26.430 -27.813 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.166 24.686 -25.293 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.572 24.984 -26.025 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.135 23.316 -25.768 1.00 0.00 H new ATOM 882 N GLN A 58 2.882 21.224 -30.170 1.00 0.00 N ATOM 883 CA GLN A 58 2.150 20.632 -31.280 1.00 0.00 C ATOM 884 C GLN A 58 0.886 19.975 -30.717 1.00 0.00 C ATOM 885 O GLN A 58 -0.205 20.189 -31.237 1.00 0.00 O ATOM 886 CB GLN A 58 3.037 19.631 -32.039 1.00 0.00 C ATOM 887 CG GLN A 58 2.303 18.936 -33.190 1.00 0.00 C ATOM 888 CD GLN A 58 3.234 17.956 -33.896 1.00 0.00 C ATOM 889 OE1 GLN A 58 3.258 16.772 -33.570 1.00 0.00 O ATOM 890 NE2 GLN A 58 4.021 18.446 -34.852 1.00 0.00 N ATOM 0 H GLN A 58 3.801 20.813 -30.008 1.00 0.00 H new ATOM 0 HA GLN A 58 1.861 21.396 -32.002 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.909 20.153 -32.433 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.404 18.878 -31.342 1.00 0.00 H new ATOM 0 HG2 GLN A 58 1.430 18.407 -32.807 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.940 19.679 -33.900 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.973 19.435 -35.095 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.672 17.832 -35.341 1.00 0.00 H new ATOM 899 N VAL A 59 1.037 19.189 -29.645 1.00 0.00 N ATOM 900 CA VAL A 59 -0.065 18.492 -28.986 1.00 0.00 C ATOM 901 C VAL A 59 -1.131 19.461 -28.465 1.00 0.00 C ATOM 902 O VAL A 59 -2.320 19.154 -28.521 1.00 0.00 O ATOM 903 CB VAL A 59 0.449 17.466 -27.954 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.278 17.780 -26.457 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.179 16.123 -28.213 1.00 0.00 C ATOM 0 H VAL A 59 1.943 19.019 -29.207 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.589 17.896 -29.733 1.00 0.00 H new ATOM 0 HB VAL A 59 1.526 17.495 -28.119 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.689 16.963 -25.865 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.805 18.703 -26.216 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.781 17.897 -26.228 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.188 15.403 -27.482 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.263 16.206 -28.129 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.083 15.786 -29.216 1.00 0.00 H new ATOM 915 N LEU A 60 -0.713 20.644 -28.010 1.00 0.00 N ATOM 916 CA LEU A 60 -1.610 21.672 -27.497 1.00 0.00 C ATOM 917 C LEU A 60 -2.269 22.405 -28.665 1.00 0.00 C ATOM 918 O LEU A 60 -3.404 22.842 -28.516 1.00 0.00 O ATOM 919 CB LEU A 60 -0.803 22.715 -26.701 1.00 0.00 C ATOM 920 CG LEU A 60 -0.598 22.486 -25.193 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.749 23.108 -24.388 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.490 21.026 -24.756 1.00 0.00 C ATOM 0 H LEU A 60 0.270 20.915 -27.989 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.358 21.195 -26.864 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.182 22.795 -27.162 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.293 23.680 -26.827 1.00 0.00 H new ATOM 0 HG LEU A 60 0.362 22.961 -24.992 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.584 22.935 -23.325 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.789 24.180 -24.579 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.692 22.651 -24.688 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.347 20.979 -23.676 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.405 20.497 -25.025 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.359 20.559 -25.255 1.00 0.00 H new ATOM 934 N GLN A 61 -1.601 22.536 -29.817 1.00 0.00 N ATOM 935 CA GLN A 61 -2.167 23.213 -30.984 1.00 0.00 C ATOM 936 C GLN A 61 -3.164 22.294 -31.694 1.00 0.00 C ATOM 937 O GLN A 61 -4.148 22.750 -32.273 1.00 0.00 O ATOM 938 CB GLN A 61 -1.030 23.638 -31.939 1.00 0.00 C ATOM 939 CG GLN A 61 -1.492 24.144 -33.319 1.00 0.00 C ATOM 940 CD GLN A 61 -0.309 24.590 -34.179 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.725 23.928 -34.211 1.00 0.00 O ATOM 942 NE2 GLN A 61 -0.454 25.703 -34.896 1.00 0.00 N ATOM 0 H GLN A 61 -0.658 22.177 -29.964 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.702 24.106 -30.661 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.446 24.423 -31.458 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.363 22.789 -32.085 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.039 23.353 -33.833 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.183 24.977 -33.189 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.325 26.231 -34.848 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.306 26.028 -35.493 1.00 0.00 H new ATOM 951 N GLN A 62 -2.874 20.995 -31.658 1.00 0.00 N ATOM 952 CA GLN A 62 -3.618 19.921 -32.288 1.00 0.00 C ATOM 953 C GLN A 62 -4.884 19.581 -31.511 1.00 0.00 C ATOM 954 O GLN A 62 -5.895 19.238 -32.124 1.00 0.00 O ATOM 955 CB GLN A 62 -2.663 18.725 -32.393 1.00 0.00 C ATOM 956 CG GLN A 62 -3.280 17.400 -32.834 1.00 0.00 C ATOM 957 CD GLN A 62 -3.734 17.426 -34.289 1.00 0.00 C ATOM 958 OE1 GLN A 62 -3.010 16.980 -35.175 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.932 17.946 -34.549 1.00 0.00 N ATOM 0 H GLN A 62 -2.058 20.648 -31.153 1.00 0.00 H new ATOM 0 HA GLN A 62 -3.963 20.218 -33.279 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.869 18.982 -33.094 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.194 18.576 -31.421 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.552 16.600 -32.698 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.132 17.168 -32.195 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -5.507 18.307 -33.788 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.275 17.983 -35.509 1.00 0.00 H new ATOM 968 N THR A 63 -4.843 19.669 -30.177 1.00 0.00 N ATOM 969 CA THR A 63 -5.998 19.337 -29.356 1.00 0.00 C ATOM 970 C THR A 63 -7.011 20.484 -29.327 1.00 0.00 C ATOM 971 O THR A 63 -8.211 20.219 -29.284 1.00 0.00 O ATOM 972 CB THR A 63 -5.548 18.831 -27.981 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.619 18.232 -27.281 1.00 0.00 O ATOM 974 CG2 THR A 63 -4.949 19.934 -27.121 1.00 0.00 C ATOM 0 H THR A 63 -4.022 19.967 -29.650 1.00 0.00 H new ATOM 0 HA THR A 63 -6.543 18.508 -29.807 1.00 0.00 H new ATOM 0 HB THR A 63 -4.774 18.088 -28.174 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.486 18.349 -26.317 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.647 19.521 -26.158 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.079 20.356 -27.624 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.691 20.716 -26.964 1.00 0.00 H new ATOM 982 N LEU A 64 -6.550 21.741 -29.384 1.00 0.00 N ATOM 983 CA LEU A 64 -7.440 22.910 -29.412 1.00 0.00 C ATOM 984 C LEU A 64 -6.664 24.190 -29.749 1.00 0.00 C ATOM 985 O LEU A 64 -5.476 24.244 -29.459 1.00 0.00 O ATOM 986 CB LEU A 64 -8.246 23.054 -28.095 1.00 0.00 C ATOM 987 CG LEU A 64 -7.651 23.970 -27.005 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.721 24.237 -25.940 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.426 23.351 -26.326 1.00 0.00 C ATOM 0 H LEU A 64 -5.558 21.975 -29.412 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.166 22.748 -30.208 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.239 23.426 -28.345 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.377 22.060 -27.668 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.333 24.893 -27.489 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.310 24.884 -25.165 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.580 24.724 -26.401 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.035 23.293 -25.495 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -6.046 24.035 -25.568 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.708 22.409 -25.856 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.651 23.168 -27.070 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.287 25.237 -30.326 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.605 26.496 -30.613 1.00 0.00 C ATOM 1003 C PRO A 65 -6.235 27.139 -29.262 1.00 0.00 C ATOM 1004 O PRO A 65 -7.139 27.483 -28.504 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.611 27.339 -31.405 1.00 0.00 C ATOM 1006 CG PRO A 65 -8.972 26.784 -30.986 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.685 25.306 -30.719 1.00 0.00 C ATOM 0 HA PRO A 65 -5.687 26.387 -31.191 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.521 28.398 -31.164 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.454 27.242 -32.479 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.354 27.286 -30.097 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.718 26.913 -31.771 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.332 24.918 -29.932 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.871 24.705 -31.609 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.943 27.278 -28.917 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.499 27.796 -27.632 1.00 0.00 C ATOM 1017 C PRO A 66 -4.158 29.297 -27.661 1.00 0.00 C ATOM 1018 O PRO A 66 -3.073 29.664 -28.107 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.277 26.923 -27.345 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.612 26.762 -28.716 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.779 26.884 -29.703 1.00 0.00 C ATOM 0 HA PRO A 66 -5.270 27.744 -26.863 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.606 27.397 -26.628 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.564 25.959 -26.924 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.859 27.531 -28.889 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.110 25.799 -28.807 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.561 27.625 -30.473 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.957 25.937 -30.213 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.032 30.197 -27.171 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.726 31.620 -27.130 1.00 0.00 C ATOM 1031 C PRO A 67 -3.667 31.891 -26.053 1.00 0.00 C ATOM 1032 O PRO A 67 -2.812 32.752 -26.226 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.051 32.314 -26.808 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.799 31.273 -25.979 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.348 29.948 -26.601 1.00 0.00 C ATOM 0 HA PRO A 67 -4.316 31.989 -28.070 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.896 33.237 -26.250 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.598 32.576 -27.713 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.536 31.333 -24.923 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.879 31.404 -26.046 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.304 29.160 -25.850 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.049 29.619 -27.368 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.724 31.144 -24.942 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.804 31.248 -23.815 1.00 0.00 C ATOM 1045 C VAL A 68 -1.375 31.073 -24.300 1.00 0.00 C ATOM 1046 O VAL A 68 -0.512 31.877 -23.967 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.150 30.222 -22.728 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -2.008 30.143 -21.710 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.457 30.651 -22.052 1.00 0.00 C ATOM 0 H VAL A 68 -4.438 30.429 -24.804 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.902 32.239 -23.371 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.280 29.232 -23.166 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.257 29.413 -20.940 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.091 29.839 -22.215 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.862 31.121 -21.250 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.718 29.932 -21.276 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.329 31.637 -21.605 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.255 30.690 -22.794 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.146 30.027 -25.094 1.00 0.00 N ATOM 1060 CA PHE A 69 0.143 29.722 -25.707 1.00 0.00 C ATOM 1061 C PHE A 69 0.767 30.991 -26.294 1.00 0.00 C ATOM 1062 O PHE A 69 1.951 31.242 -26.092 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.066 28.604 -26.737 1.00 0.00 C ATOM 1064 CG PHE A 69 0.829 28.590 -27.958 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.464 29.367 -29.072 1.00 0.00 C ATOM 1066 CD2 PHE A 69 1.997 27.808 -27.998 1.00 0.00 C ATOM 1067 CE1 PHE A 69 1.261 29.372 -30.227 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.794 27.814 -29.160 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.427 28.593 -30.270 1.00 0.00 C ATOM 0 H PHE A 69 -1.872 29.352 -25.334 1.00 0.00 H new ATOM 0 HA PHE A 69 0.857 29.361 -24.966 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.053 27.650 -26.224 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.099 28.654 -27.080 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.436 29.964 -29.038 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.281 27.208 -27.146 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.978 29.973 -31.079 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.693 27.216 -29.198 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.043 28.592 -31.157 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.028 31.800 -26.998 1.00 0.00 N ATOM 1080 CA GLN A 70 0.446 33.035 -27.625 1.00 0.00 C ATOM 1081 C GLN A 70 0.975 34.043 -26.595 1.00 0.00 C ATOM 1082 O GLN A 70 1.892 34.811 -26.879 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.636 33.618 -28.558 1.00 0.00 C ATOM 1084 CG GLN A 70 -1.372 34.850 -28.010 1.00 0.00 C ATOM 1085 CD GLN A 70 -2.662 35.129 -28.777 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -2.677 35.113 -30.003 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -3.757 35.388 -28.059 1.00 0.00 N ATOM 0 H GLN A 70 -1.020 31.617 -27.149 1.00 0.00 H new ATOM 0 HA GLN A 70 1.306 32.794 -28.250 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.171 33.884 -29.507 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.369 32.840 -28.770 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.602 34.696 -26.956 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -0.718 35.720 -28.070 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -3.709 35.393 -27.040 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -4.641 35.581 -28.529 1.00 0.00 H new ATOM 1096 N MET A 71 0.395 34.025 -25.391 1.00 0.00 N ATOM 1097 CA MET A 71 0.754 34.871 -24.271 1.00 0.00 C ATOM 1098 C MET A 71 1.950 34.241 -23.563 1.00 0.00 C ATOM 1099 O MET A 71 2.809 34.959 -23.066 1.00 0.00 O ATOM 1100 CB MET A 71 -0.451 35.096 -23.338 1.00 0.00 C ATOM 1101 CG MET A 71 -1.720 35.549 -24.085 1.00 0.00 C ATOM 1102 SD MET A 71 -2.899 36.522 -23.109 1.00 0.00 S ATOM 1103 CE MET A 71 -3.320 35.322 -21.830 1.00 0.00 C ATOM 0 H MET A 71 -0.371 33.388 -25.171 1.00 0.00 H new ATOM 0 HA MET A 71 1.041 35.864 -24.617 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.664 34.172 -22.801 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.189 35.846 -22.591 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.419 36.138 -24.951 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.232 34.665 -24.464 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.054 35.756 -21.151 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.738 34.428 -22.293 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.423 35.055 -21.272 1.00 0.00 H new ATOM 1113 N LEU A 72 2.046 32.905 -23.543 1.00 0.00 N ATOM 1114 CA LEU A 72 3.181 32.204 -22.966 1.00 0.00 C ATOM 1115 C LEU A 72 4.425 32.673 -23.713 1.00 0.00 C ATOM 1116 O LEU A 72 5.437 33.021 -23.111 1.00 0.00 O ATOM 1117 CB LEU A 72 2.948 30.677 -22.986 1.00 0.00 C ATOM 1118 CG LEU A 72 4.154 29.796 -23.337 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.189 29.746 -22.206 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.669 28.370 -23.606 1.00 0.00 C ATOM 0 H LEU A 72 1.333 32.286 -23.929 1.00 0.00 H new ATOM 0 HA LEU A 72 3.317 32.437 -21.910 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.583 30.377 -22.004 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.153 30.464 -23.701 1.00 0.00 H new ATOM 0 HG LEU A 72 4.630 30.230 -24.216 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.023 29.110 -22.504 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.555 30.752 -22.003 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.726 29.340 -21.307 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.520 27.737 -23.856 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.176 27.979 -22.716 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.965 28.376 -24.438 1.00 0.00 H new ATOM 1132 N LEU A 73 4.317 32.706 -25.040 1.00 0.00 N ATOM 1133 CA LEU A 73 5.412 33.136 -25.899 1.00 0.00 C ATOM 1134 C LEU A 73 5.750 34.614 -25.757 1.00 0.00 C ATOM 1135 O LEU A 73 6.850 35.019 -26.118 1.00 0.00 O ATOM 1136 CB LEU A 73 5.086 32.911 -27.372 1.00 0.00 C ATOM 1137 CG LEU A 73 4.741 31.488 -27.823 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.519 31.623 -29.322 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.777 30.424 -27.453 1.00 0.00 C ATOM 0 H LEU A 73 3.473 32.437 -25.545 1.00 0.00 H new ATOM 0 HA LEU A 73 6.261 32.533 -25.576 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.246 33.556 -27.630 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.940 33.249 -27.959 1.00 0.00 H new ATOM 0 HG LEU A 73 3.861 31.113 -27.300 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.265 30.650 -29.741 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.704 32.322 -29.508 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.429 31.994 -29.793 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.444 29.451 -27.814 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.734 30.673 -27.911 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.892 30.389 -26.370 1.00 0.00 H new ATOM 1151 N THR A 74 4.808 35.413 -25.255 1.00 0.00 N ATOM 1152 CA THR A 74 4.996 36.844 -25.073 1.00 0.00 C ATOM 1153 C THR A 74 5.500 37.125 -23.661 1.00 0.00 C ATOM 1154 O THR A 74 6.085 38.176 -23.408 1.00 0.00 O ATOM 1155 CB THR A 74 3.800 37.673 -25.563 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.262 38.860 -26.181 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.860 38.078 -24.437 1.00 0.00 C ATOM 0 H THR A 74 3.889 35.079 -24.963 1.00 0.00 H new ATOM 0 HA THR A 74 5.788 37.200 -25.733 1.00 0.00 H new ATOM 0 HB THR A 74 3.253 37.040 -26.261 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.496 39.385 -26.494 1.00 0.00 H new ATOM 0 HG21 THR A 74 2.034 38.662 -24.844 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.468 37.184 -23.951 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.404 38.679 -23.708 1.00 0.00 H new ATOM 1165 N LYS A 75 5.302 36.171 -22.742 1.00 0.00 N ATOM 1166 CA LYS A 75 5.779 36.301 -21.379 1.00 0.00 C ATOM 1167 C LYS A 75 7.290 36.036 -21.273 1.00 0.00 C ATOM 1168 O LYS A 75 7.950 36.597 -20.402 1.00 0.00 O ATOM 1169 CB LYS A 75 5.024 35.285 -20.518 1.00 0.00 C ATOM 1170 CG LYS A 75 4.798 35.732 -19.085 1.00 0.00 C ATOM 1171 CD LYS A 75 3.788 36.868 -18.851 1.00 0.00 C ATOM 1172 CE LYS A 75 2.416 36.609 -19.489 1.00 0.00 C ATOM 1173 NZ LYS A 75 1.415 37.596 -19.046 1.00 0.00 N ATOM 0 H LYS A 75 4.809 35.298 -22.930 1.00 0.00 H new ATOM 0 HA LYS A 75 5.602 37.321 -21.039 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.058 35.080 -20.980 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.579 34.347 -20.511 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.471 34.866 -18.509 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.758 36.044 -18.674 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.659 37.014 -17.778 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.197 37.795 -19.252 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.507 36.645 -20.575 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.078 35.606 -19.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.461 37.198 -19.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.577 37.829 -18.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 1.500 38.459 -19.621 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.603 13.853 -25.107 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.393 13.559 -25.860 1.00 0.00 C ATOM 1590 C LEU B 7 -3.406 12.753 -25.039 1.00 0.00 C ATOM 1591 O LEU B 7 -2.836 11.822 -25.578 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.733 14.831 -26.421 1.00 0.00 C ATOM 1593 CG LEU B 7 -3.258 15.830 -25.349 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -1.774 15.663 -25.024 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -3.427 17.274 -25.785 1.00 0.00 C ATOM 0 HA LEU B 7 -4.698 12.950 -26.711 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.879 14.542 -27.034 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.442 15.333 -27.079 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.879 15.612 -24.480 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.484 16.388 -24.264 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.594 14.655 -24.651 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -1.183 15.827 -25.925 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.077 17.936 -24.993 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -2.846 17.451 -26.690 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.480 17.473 -25.986 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.187 13.090 -23.764 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.195 12.414 -22.934 1.00 0.00 C ATOM 1609 C LEU B 8 -2.469 10.918 -22.764 1.00 0.00 C ATOM 1610 O LEU B 8 -1.574 10.186 -22.355 1.00 0.00 O ATOM 1611 CB LEU B 8 -1.931 13.134 -21.609 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.238 14.522 -21.641 1.00 0.00 C ATOM 1613 CD1 LEU B 8 0.093 14.642 -22.409 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.223 15.651 -21.941 1.00 0.00 C ATOM 0 H LEU B 8 -3.691 13.835 -23.284 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.259 12.474 -23.490 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.888 13.254 -21.101 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.322 12.475 -20.990 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.891 14.640 -20.614 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.459 15.667 -22.345 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.828 13.966 -21.971 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.065 14.378 -23.455 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.692 16.603 -21.953 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.686 15.481 -22.913 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -2.994 15.675 -21.171 1.00 0.00 H new