USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=8 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= 0.612 K(o=-0.28,f=-1.6) USER MOD Set 1.2: A 58 GLN : amide:sc= -0.894 K(o=-0.28,f=-1.9) USER MOD Single : A 17 GLN : amide:sc= -0.34 K(o=-0.34,f=-3.2!) USER MOD Single : A 18 LYS NZ :NH3+ 177:sc= 1.27 (180deg=1.19) USER MOD Single : A 25 GLN : amide:sc= -0.0892 X(o=-0.089,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 38 LYS NZ :NH3+ 140:sc= 1.2 (180deg=0.495) USER MOD Single : A 42 HIS : no HD1:sc= -0.582 K(o=-0.58,f=-1.6) USER MOD Single : A 44 THR OG1 : rot 73:sc= 1.05 USER MOD Single : A 45 ASN : amide:sc= 1.02 K(o=1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= -0.253 USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 61 GLN : amide:sc= -0.792 X(o=-0.79,f=-0.69) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl -177:sc= -0.612 (180deg=-0.626) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 7.043 7.474 -14.721 1.00 0.00 N ATOM 205 CA GLU A 14 5.623 7.444 -14.376 1.00 0.00 C ATOM 206 C GLU A 14 5.297 8.562 -13.381 1.00 0.00 C ATOM 207 O GLU A 14 4.265 9.220 -13.487 1.00 0.00 O ATOM 208 CB GLU A 14 5.228 6.056 -13.841 1.00 0.00 C ATOM 209 CG GLU A 14 3.790 5.998 -13.297 1.00 0.00 C ATOM 210 CD GLU A 14 2.744 6.488 -14.295 1.00 0.00 C ATOM 211 OE1 GLU A 14 2.866 6.109 -15.479 1.00 0.00 O ATOM 212 OE2 GLU A 14 1.840 7.229 -13.851 1.00 0.00 O ATOM 0 HA GLU A 14 5.031 7.623 -15.274 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.336 5.322 -14.640 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.920 5.769 -13.049 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.558 4.971 -13.013 1.00 0.00 H new ATOM 0 HG3 GLU A 14 3.728 6.601 -12.391 1.00 0.00 H new ATOM 219 N ALA A 15 6.192 8.797 -12.418 1.00 0.00 N ATOM 220 CA ALA A 15 6.022 9.839 -11.413 1.00 0.00 C ATOM 221 C ALA A 15 6.087 11.228 -12.046 1.00 0.00 C ATOM 222 O ALA A 15 5.557 12.188 -11.488 1.00 0.00 O ATOM 223 CB ALA A 15 7.098 9.710 -10.332 1.00 0.00 C ATOM 0 H ALA A 15 7.057 8.266 -12.317 1.00 0.00 H new ATOM 0 HA ALA A 15 5.039 9.714 -10.960 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.961 10.494 -9.587 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.017 8.735 -9.852 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.084 9.810 -10.786 1.00 0.00 H new ATOM 229 N VAL A 16 6.733 11.324 -13.211 1.00 0.00 N ATOM 230 CA VAL A 16 6.874 12.559 -13.968 1.00 0.00 C ATOM 231 C VAL A 16 5.671 12.663 -14.901 1.00 0.00 C ATOM 232 O VAL A 16 5.208 13.769 -15.160 1.00 0.00 O ATOM 233 CB VAL A 16 8.243 12.615 -14.686 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.214 13.004 -16.166 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.270 13.440 -13.923 1.00 0.00 C ATOM 0 H VAL A 16 7.180 10.525 -13.659 1.00 0.00 H new ATOM 0 HA VAL A 16 6.874 13.433 -13.316 1.00 0.00 H new ATOM 0 HB VAL A 16 8.558 11.571 -14.684 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.230 13.010 -16.561 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.613 12.283 -16.720 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.778 13.997 -16.273 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.212 13.446 -14.471 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.907 14.462 -13.814 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.427 13.004 -12.937 1.00 0.00 H new ATOM 245 N GLN A 17 5.150 11.527 -15.389 1.00 0.00 N ATOM 246 CA GLN A 17 3.994 11.520 -16.275 1.00 0.00 C ATOM 247 C GLN A 17 2.771 11.978 -15.496 1.00 0.00 C ATOM 248 O GLN A 17 2.037 12.850 -15.961 1.00 0.00 O ATOM 249 CB GLN A 17 3.758 10.146 -16.932 1.00 0.00 C ATOM 250 CG GLN A 17 2.761 10.189 -18.109 1.00 0.00 C ATOM 251 CD GLN A 17 3.344 10.772 -19.399 1.00 0.00 C ATOM 252 OE1 GLN A 17 4.300 11.544 -19.371 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.778 10.421 -20.554 1.00 0.00 N ATOM 0 H GLN A 17 5.520 10.600 -15.179 1.00 0.00 H new ATOM 0 HA GLN A 17 4.187 12.212 -17.095 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.711 9.754 -17.288 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.388 9.451 -16.178 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.406 9.178 -18.308 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.893 10.780 -17.815 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.985 9.779 -20.559 1.00 0.00 H new ATOM 0 HE22 GLN A 17 3.138 10.794 -21.432 1.00 0.00 H new ATOM 262 N LYS A 18 2.560 11.388 -14.312 1.00 0.00 N ATOM 263 CA LYS A 18 1.409 11.714 -13.482 1.00 0.00 C ATOM 264 C LYS A 18 1.374 13.208 -13.157 1.00 0.00 C ATOM 265 O LYS A 18 0.325 13.841 -13.253 1.00 0.00 O ATOM 266 CB LYS A 18 1.294 10.768 -12.269 1.00 0.00 C ATOM 267 CG LYS A 18 2.139 11.069 -11.016 1.00 0.00 C ATOM 268 CD LYS A 18 1.266 11.335 -9.775 1.00 0.00 C ATOM 269 CE LYS A 18 0.468 12.648 -9.819 1.00 0.00 C ATOM 270 NZ LYS A 18 1.302 13.824 -9.509 1.00 0.00 N ATOM 0 H LYS A 18 3.178 10.681 -13.913 1.00 0.00 H new ATOM 0 HA LYS A 18 0.495 11.530 -14.047 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.248 10.745 -11.965 1.00 0.00 H new ATOM 0 HB3 LYS A 18 1.549 9.764 -12.607 1.00 0.00 H new ATOM 0 HG2 LYS A 18 2.803 10.228 -10.817 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.771 11.936 -11.206 1.00 0.00 H new ATOM 0 HD2 LYS A 18 0.569 10.506 -9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 18 1.906 11.344 -8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.028 12.769 -10.809 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.356 12.593 -9.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 0.731 14.688 -9.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.661 13.748 -8.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.103 13.866 -10.171 1.00 0.00 H new ATOM 284 N PHE A 19 2.528 13.776 -12.792 1.00 0.00 N ATOM 285 CA PHE A 19 2.646 15.189 -12.476 1.00 0.00 C ATOM 286 C PHE A 19 2.506 16.057 -13.736 1.00 0.00 C ATOM 287 O PHE A 19 1.783 17.048 -13.719 1.00 0.00 O ATOM 288 CB PHE A 19 3.980 15.477 -11.766 1.00 0.00 C ATOM 289 CG PHE A 19 4.394 16.908 -12.014 1.00 0.00 C ATOM 290 CD1 PHE A 19 3.755 17.961 -11.337 1.00 0.00 C ATOM 291 CD2 PHE A 19 5.386 17.186 -12.967 1.00 0.00 C ATOM 292 CE1 PHE A 19 4.112 19.291 -11.615 1.00 0.00 C ATOM 293 CE2 PHE A 19 5.732 18.515 -13.239 1.00 0.00 C ATOM 294 CZ PHE A 19 5.104 19.566 -12.574 1.00 0.00 C ATOM 0 H PHE A 19 3.404 13.261 -12.709 1.00 0.00 H new ATOM 0 HA PHE A 19 1.831 15.448 -11.800 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.878 15.299 -10.695 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.750 14.798 -12.131 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.991 17.748 -10.604 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.880 16.379 -13.488 1.00 0.00 H new ATOM 0 HE1 PHE A 19 3.625 20.102 -11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.495 18.728 -13.973 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.378 20.587 -12.794 1.00 0.00 H new ATOM 304 N PHE A 20 3.217 15.704 -14.812 1.00 0.00 N ATOM 305 CA PHE A 20 3.208 16.455 -16.068 1.00 0.00 C ATOM 306 C PHE A 20 1.753 16.721 -16.473 1.00 0.00 C ATOM 307 O PHE A 20 1.354 17.860 -16.715 1.00 0.00 O ATOM 308 CB PHE A 20 3.983 15.661 -17.129 1.00 0.00 C ATOM 309 CG PHE A 20 3.909 16.133 -18.559 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.295 17.443 -18.873 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.477 15.261 -19.577 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.257 17.890 -20.203 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.441 15.707 -20.907 1.00 0.00 C ATOM 314 CZ PHE A 20 3.836 17.017 -21.218 1.00 0.00 C ATOM 0 H PHE A 20 3.820 14.881 -14.834 1.00 0.00 H new ATOM 0 HA PHE A 20 3.701 17.421 -15.959 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.033 15.647 -16.836 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.630 14.630 -17.099 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.623 18.110 -18.090 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.175 14.253 -19.335 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.550 18.901 -20.444 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.109 15.042 -21.691 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.816 17.355 -22.244 1.00 0.00 H new ATOM 324 N LEU A 21 0.956 15.648 -16.496 1.00 0.00 N ATOM 325 CA LEU A 21 -0.470 15.679 -16.791 1.00 0.00 C ATOM 326 C LEU A 21 -1.224 16.480 -15.732 1.00 0.00 C ATOM 327 O LEU A 21 -2.121 17.248 -16.074 1.00 0.00 O ATOM 328 CB LEU A 21 -0.993 14.231 -16.841 1.00 0.00 C ATOM 329 CG LEU A 21 -1.288 13.657 -18.239 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.456 12.138 -18.068 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.569 14.314 -18.771 1.00 0.00 C ATOM 0 H LEU A 21 1.301 14.708 -16.303 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.632 16.165 -17.753 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.261 13.586 -16.355 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.907 14.177 -16.250 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.489 13.856 -18.953 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.668 11.684 -19.036 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.538 11.714 -17.661 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.282 11.938 -17.385 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.795 13.920 -19.762 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.397 14.096 -18.096 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.426 15.393 -18.833 1.00 0.00 H new ATOM 343 N GLU A 22 -0.875 16.312 -14.454 1.00 0.00 N ATOM 344 CA GLU A 22 -1.509 17.049 -13.365 1.00 0.00 C ATOM 345 C GLU A 22 -1.372 18.559 -13.598 1.00 0.00 C ATOM 346 O GLU A 22 -2.304 19.293 -13.286 1.00 0.00 O ATOM 347 CB GLU A 22 -0.909 16.636 -12.007 1.00 0.00 C ATOM 348 CG GLU A 22 -1.612 17.225 -10.776 1.00 0.00 C ATOM 349 CD GLU A 22 -1.021 16.661 -9.482 1.00 0.00 C ATOM 350 OE1 GLU A 22 0.179 16.300 -9.498 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.786 16.558 -8.501 1.00 0.00 O ATOM 0 H GLU A 22 -0.149 15.664 -14.149 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.571 16.803 -13.346 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.932 15.549 -11.933 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.139 16.935 -11.985 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.513 18.311 -10.782 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.678 17.002 -10.820 1.00 0.00 H new ATOM 358 N GLU A 23 -0.236 19.020 -14.146 1.00 0.00 N ATOM 359 CA GLU A 23 0.028 20.431 -14.395 1.00 0.00 C ATOM 360 C GLU A 23 -0.672 20.881 -15.679 1.00 0.00 C ATOM 361 O GLU A 23 -1.221 21.977 -15.727 1.00 0.00 O ATOM 362 CB GLU A 23 1.533 20.739 -14.376 1.00 0.00 C ATOM 363 CG GLU A 23 1.768 22.130 -13.756 1.00 0.00 C ATOM 364 CD GLU A 23 2.047 22.093 -12.257 1.00 0.00 C ATOM 365 OE1 GLU A 23 1.231 21.494 -11.528 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.084 22.661 -11.844 1.00 0.00 O ATOM 0 H GLU A 23 0.530 18.408 -14.429 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.395 21.019 -13.581 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.063 19.979 -13.801 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.933 20.709 -15.389 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.608 22.606 -14.261 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.892 22.752 -13.938 1.00 0.00 H new ATOM 373 N ILE A 24 -0.676 20.023 -16.708 1.00 0.00 N ATOM 374 CA ILE A 24 -1.366 20.278 -17.983 1.00 0.00 C ATOM 375 C ILE A 24 -2.855 20.554 -17.661 1.00 0.00 C ATOM 376 O ILE A 24 -3.450 21.533 -18.133 1.00 0.00 O ATOM 377 CB ILE A 24 -1.111 19.114 -19.012 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.191 19.449 -20.224 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.375 18.404 -19.518 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.408 18.517 -21.418 1.00 0.00 C ATOM 0 H ILE A 24 -0.196 19.123 -16.680 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.969 21.159 -18.488 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.557 18.424 -18.375 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.372 20.478 -20.536 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.851 19.390 -19.909 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.095 17.619 -20.221 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.907 17.963 -18.675 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.022 19.125 -20.018 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.262 18.802 -22.229 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.200 17.489 -21.120 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.441 18.594 -21.757 1.00 0.00 H new ATOM 392 N GLN A 25 -3.445 19.685 -16.827 1.00 0.00 N ATOM 393 CA GLN A 25 -4.846 19.774 -16.425 1.00 0.00 C ATOM 394 C GLN A 25 -5.081 20.943 -15.472 1.00 0.00 C ATOM 395 O GLN A 25 -5.955 21.769 -15.718 1.00 0.00 O ATOM 396 CB GLN A 25 -5.316 18.439 -15.808 1.00 0.00 C ATOM 397 CG GLN A 25 -5.304 17.208 -16.740 1.00 0.00 C ATOM 398 CD GLN A 25 -5.549 15.927 -15.950 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.647 15.374 -15.967 1.00 0.00 O ATOM 400 NE2 GLN A 25 -4.515 15.446 -15.262 1.00 0.00 N ATOM 0 H GLN A 25 -2.953 18.894 -16.411 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.443 19.964 -17.317 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.685 18.221 -14.946 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.331 18.574 -15.434 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -6.071 17.320 -17.507 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.345 17.145 -17.254 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.621 15.937 -15.275 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.617 14.587 -14.722 1.00 0.00 H new ATOM 409 N LEU A 26 -4.296 21.013 -14.396 1.00 0.00 N ATOM 410 CA LEU A 26 -4.372 22.082 -13.395 1.00 0.00 C ATOM 411 C LEU A 26 -4.304 23.435 -14.104 1.00 0.00 C ATOM 412 O LEU A 26 -5.074 24.336 -13.782 1.00 0.00 O ATOM 413 CB LEU A 26 -3.291 21.870 -12.319 1.00 0.00 C ATOM 414 CG LEU A 26 -3.009 22.950 -11.273 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.464 24.260 -11.836 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.228 23.213 -10.404 1.00 0.00 C ATOM 0 H LEU A 26 -3.578 20.318 -14.191 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.323 22.060 -12.862 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.550 20.960 -11.778 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.354 21.675 -12.840 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.208 22.536 -10.661 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.295 24.964 -11.021 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.523 24.070 -12.353 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.184 24.682 -12.537 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.993 23.985 -9.672 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.056 23.546 -11.030 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.510 22.296 -9.886 1.00 0.00 H new ATOM 428 N GLY A 27 -3.405 23.574 -15.087 1.00 0.00 N ATOM 429 CA GLY A 27 -3.257 24.789 -15.872 1.00 0.00 C ATOM 430 C GLY A 27 -4.556 25.076 -16.597 1.00 0.00 C ATOM 431 O GLY A 27 -5.189 26.078 -16.273 1.00 0.00 O ATOM 0 H GLY A 27 -2.757 22.834 -15.356 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.996 25.625 -15.224 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.444 24.676 -16.589 1.00 0.00 H new ATOM 435 N GLU A 28 -4.974 24.229 -17.553 1.00 0.00 N ATOM 436 CA GLU A 28 -6.240 24.523 -18.229 1.00 0.00 C ATOM 437 C GLU A 28 -7.414 24.789 -17.264 1.00 0.00 C ATOM 438 O GLU A 28 -8.284 25.595 -17.579 1.00 0.00 O ATOM 439 CB GLU A 28 -6.598 23.509 -19.318 1.00 0.00 C ATOM 440 CG GLU A 28 -5.790 23.712 -20.611 1.00 0.00 C ATOM 441 CD GLU A 28 -6.521 23.257 -21.883 1.00 0.00 C ATOM 442 OE1 GLU A 28 -7.621 22.661 -21.781 1.00 0.00 O ATOM 443 OE2 GLU A 28 -5.963 23.541 -22.963 1.00 0.00 O ATOM 0 H GLU A 28 -4.487 23.387 -17.859 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.061 25.468 -18.742 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.424 22.501 -18.941 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.662 23.586 -19.544 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -5.538 24.768 -20.707 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -4.850 23.166 -20.529 1.00 0.00 H new ATOM 450 N GLU A 29 -7.430 24.156 -16.088 1.00 0.00 N ATOM 451 CA GLU A 29 -8.462 24.358 -15.072 1.00 0.00 C ATOM 452 C GLU A 29 -8.343 25.754 -14.450 1.00 0.00 C ATOM 453 O GLU A 29 -9.346 26.442 -14.277 1.00 0.00 O ATOM 454 CB GLU A 29 -8.424 23.227 -14.042 1.00 0.00 C ATOM 455 CG GLU A 29 -9.360 23.456 -12.853 1.00 0.00 C ATOM 456 CD GLU A 29 -9.427 22.212 -11.976 1.00 0.00 C ATOM 457 OE1 GLU A 29 -10.035 21.223 -12.441 1.00 0.00 O ATOM 458 OE2 GLU A 29 -8.854 22.268 -10.866 1.00 0.00 O ATOM 0 H GLU A 29 -6.717 23.481 -15.813 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.446 24.317 -15.539 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.693 22.291 -14.531 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.404 23.114 -13.675 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.009 24.304 -12.265 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.358 23.709 -13.212 1.00 0.00 H new ATOM 465 N LEU A 30 -7.130 26.211 -14.128 1.00 0.00 N ATOM 466 CA LEU A 30 -6.945 27.550 -13.589 1.00 0.00 C ATOM 467 C LEU A 30 -7.350 28.562 -14.658 1.00 0.00 C ATOM 468 O LEU A 30 -7.987 29.569 -14.354 1.00 0.00 O ATOM 469 CB LEU A 30 -5.490 27.772 -13.140 1.00 0.00 C ATOM 470 CG LEU A 30 -5.172 27.484 -11.661 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.688 27.782 -11.434 1.00 0.00 C ATOM 472 CD2 LEU A 30 -5.972 28.377 -10.696 1.00 0.00 C ATOM 0 H LEU A 30 -6.270 25.673 -14.232 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.572 27.678 -12.706 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.844 27.145 -13.755 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.223 28.808 -13.350 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.435 26.445 -11.461 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.433 27.587 -10.392 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.086 27.144 -12.081 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.487 28.828 -11.667 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.707 28.130 -9.668 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.737 29.424 -10.890 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.039 28.211 -10.846 1.00 0.00 H new ATOM 484 N LEU A 31 -7.014 28.290 -15.921 1.00 0.00 N ATOM 485 CA LEU A 31 -7.404 29.166 -17.025 1.00 0.00 C ATOM 486 C LEU A 31 -8.912 29.122 -17.200 1.00 0.00 C ATOM 487 O LEU A 31 -9.517 30.131 -17.554 1.00 0.00 O ATOM 488 CB LEU A 31 -6.660 28.757 -18.276 1.00 0.00 C ATOM 489 CG LEU A 31 -5.181 29.158 -18.196 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.537 29.285 -16.806 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.430 28.106 -18.987 1.00 0.00 C ATOM 0 H LEU A 31 -6.474 27.472 -16.203 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.135 30.200 -16.809 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.741 27.679 -18.414 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.120 29.225 -19.146 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.123 30.176 -18.581 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.492 29.574 -16.914 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.065 30.043 -16.228 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.597 28.328 -16.288 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.364 28.331 -18.972 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.600 27.126 -18.542 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.785 28.103 -20.017 1.00 0.00 H new ATOM 503 N ALA A 32 -9.519 27.975 -16.886 1.00 0.00 N ATOM 504 CA ALA A 32 -10.968 27.846 -16.884 1.00 0.00 C ATOM 505 C ALA A 32 -11.577 28.845 -15.887 1.00 0.00 C ATOM 506 O ALA A 32 -12.745 29.203 -16.019 1.00 0.00 O ATOM 507 CB ALA A 32 -11.417 26.409 -16.595 1.00 0.00 C ATOM 0 H ALA A 32 -9.022 27.122 -16.630 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.335 28.084 -17.883 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.506 26.359 -16.603 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.018 25.742 -17.359 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.047 26.102 -15.617 1.00 0.00 H new ATOM 513 N GLN A 33 -10.774 29.314 -14.917 1.00 0.00 N ATOM 514 CA GLN A 33 -11.153 30.313 -13.931 1.00 0.00 C ATOM 515 C GLN A 33 -10.763 31.688 -14.487 1.00 0.00 C ATOM 516 O GLN A 33 -11.485 32.664 -14.302 1.00 0.00 O ATOM 517 CB GLN A 33 -10.486 29.998 -12.581 1.00 0.00 C ATOM 518 CG GLN A 33 -11.538 29.972 -11.469 1.00 0.00 C ATOM 519 CD GLN A 33 -10.914 29.732 -10.096 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.137 28.694 -9.480 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.134 30.696 -9.603 1.00 0.00 N ATOM 0 H GLN A 33 -9.813 28.991 -14.803 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.227 30.308 -13.746 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.977 29.036 -12.634 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.727 30.748 -12.357 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.080 30.918 -11.461 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.267 29.189 -11.678 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.971 31.546 -10.143 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.701 30.583 -8.686 1.00 0.00 H new ATOM 530 N GLY A 34 -9.627 31.733 -15.193 1.00 0.00 N ATOM 531 CA GLY A 34 -9.071 32.894 -15.870 1.00 0.00 C ATOM 532 C GLY A 34 -7.636 33.224 -15.461 1.00 0.00 C ATOM 533 O GLY A 34 -7.182 34.327 -15.759 1.00 0.00 O ATOM 0 H GLY A 34 -9.042 30.906 -15.309 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.101 32.723 -16.946 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.704 33.758 -15.667 1.00 0.00 H new ATOM 537 N ASP A 35 -6.915 32.315 -14.787 1.00 0.00 N ATOM 538 CA ASP A 35 -5.548 32.619 -14.334 1.00 0.00 C ATOM 539 C ASP A 35 -4.458 32.298 -15.374 1.00 0.00 C ATOM 540 O ASP A 35 -3.528 31.537 -15.110 1.00 0.00 O ATOM 541 CB ASP A 35 -5.295 31.978 -12.962 1.00 0.00 C ATOM 542 CG ASP A 35 -4.084 32.555 -12.229 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.257 33.235 -12.876 1.00 0.00 O ATOM 544 OD2 ASP A 35 -3.997 32.282 -11.011 1.00 0.00 O ATOM 0 H ASP A 35 -7.247 31.381 -14.547 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.475 33.700 -14.218 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.181 32.109 -12.341 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.153 30.905 -13.093 1.00 0.00 H new ATOM 549 N TYR A 36 -4.574 32.897 -16.565 1.00 0.00 N ATOM 550 CA TYR A 36 -3.659 32.779 -17.702 1.00 0.00 C ATOM 551 C TYR A 36 -2.201 32.922 -17.289 1.00 0.00 C ATOM 552 O TYR A 36 -1.340 32.166 -17.736 1.00 0.00 O ATOM 553 CB TYR A 36 -4.023 33.808 -18.777 1.00 0.00 C ATOM 554 CG TYR A 36 -5.512 33.995 -18.996 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.283 32.949 -19.534 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.126 35.213 -18.647 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.664 33.119 -19.724 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.508 35.383 -18.839 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.275 34.336 -19.376 1.00 0.00 C ATOM 560 OH TYR A 36 -9.617 34.495 -19.561 1.00 0.00 O ATOM 0 H TYR A 36 -5.359 33.515 -16.771 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.772 31.776 -18.112 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.586 34.769 -18.504 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.566 33.506 -19.719 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -5.813 32.014 -19.801 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.535 36.016 -18.232 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.256 32.316 -20.137 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -7.980 36.318 -18.574 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.883 35.392 -19.270 1.00 0.00 H new ATOM 570 N GLU A 37 -1.953 33.899 -16.423 1.00 0.00 N ATOM 571 CA GLU A 37 -0.656 34.230 -15.866 1.00 0.00 C ATOM 572 C GLU A 37 -0.022 32.984 -15.260 1.00 0.00 C ATOM 573 O GLU A 37 1.148 32.689 -15.507 1.00 0.00 O ATOM 574 CB GLU A 37 -0.801 35.368 -14.845 1.00 0.00 C ATOM 575 CG GLU A 37 -1.051 36.737 -15.504 1.00 0.00 C ATOM 576 CD GLU A 37 -2.324 36.806 -16.351 1.00 0.00 C ATOM 577 OE1 GLU A 37 -3.339 36.220 -15.916 1.00 0.00 O ATOM 578 OE2 GLU A 37 -2.247 37.423 -17.435 1.00 0.00 O ATOM 0 H GLU A 37 -2.693 34.510 -16.076 1.00 0.00 H new ATOM 0 HA GLU A 37 0.009 34.584 -16.654 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.625 35.140 -14.169 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.103 35.422 -14.238 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.105 37.497 -14.725 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.196 36.986 -16.133 1.00 0.00 H new ATOM 585 N LYS A 38 -0.818 32.244 -14.491 1.00 0.00 N ATOM 586 CA LYS A 38 -0.375 30.998 -13.887 1.00 0.00 C ATOM 587 C LYS A 38 -0.321 29.888 -14.927 1.00 0.00 C ATOM 588 O LYS A 38 0.519 29.000 -14.804 1.00 0.00 O ATOM 589 CB LYS A 38 -1.224 30.607 -12.673 1.00 0.00 C ATOM 590 CG LYS A 38 -0.877 31.434 -11.422 1.00 0.00 C ATOM 591 CD LYS A 38 0.582 31.314 -10.936 1.00 0.00 C ATOM 592 CE LYS A 38 1.027 29.852 -10.790 1.00 0.00 C ATOM 593 NZ LYS A 38 2.415 29.706 -10.319 1.00 0.00 N ATOM 0 H LYS A 38 -1.783 32.493 -14.272 1.00 0.00 H new ATOM 0 HA LYS A 38 0.636 31.154 -13.511 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.279 30.741 -12.913 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.078 29.549 -12.457 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -1.088 32.483 -11.630 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.539 31.130 -10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 38 1.240 31.824 -11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.686 31.821 -9.977 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.360 29.345 -10.093 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.923 29.351 -11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.470 28.922 -9.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.037 29.506 -11.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.720 30.587 -9.858 1.00 0.00 H new ATOM 607 N GLY A 39 -1.170 29.928 -15.959 1.00 0.00 N ATOM 608 CA GLY A 39 -1.124 28.934 -17.018 1.00 0.00 C ATOM 609 C GLY A 39 0.225 28.961 -17.708 1.00 0.00 C ATOM 610 O GLY A 39 0.764 27.907 -18.021 1.00 0.00 O ATOM 0 H GLY A 39 -1.892 30.638 -16.077 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.308 27.943 -16.604 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.915 29.128 -17.743 1.00 0.00 H new ATOM 614 N VAL A 40 0.771 30.156 -17.946 1.00 0.00 N ATOM 615 CA VAL A 40 2.064 30.287 -18.601 1.00 0.00 C ATOM 616 C VAL A 40 3.136 29.561 -17.783 1.00 0.00 C ATOM 617 O VAL A 40 3.892 28.761 -18.325 1.00 0.00 O ATOM 618 CB VAL A 40 2.410 31.775 -18.848 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.862 31.913 -19.321 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.477 32.424 -19.892 1.00 0.00 C ATOM 0 H VAL A 40 0.334 31.043 -17.693 1.00 0.00 H new ATOM 0 HA VAL A 40 2.022 29.814 -19.582 1.00 0.00 H new ATOM 0 HB VAL A 40 2.273 32.294 -17.899 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.091 32.965 -19.491 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.532 31.514 -18.560 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.996 31.358 -20.249 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.758 33.468 -20.032 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.567 31.894 -20.840 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.446 32.370 -19.542 1.00 0.00 H new ATOM 630 N ASP A 41 3.193 29.845 -16.482 1.00 0.00 N ATOM 631 CA ASP A 41 4.163 29.266 -15.554 1.00 0.00 C ATOM 632 C ASP A 41 4.003 27.749 -15.458 1.00 0.00 C ATOM 633 O ASP A 41 4.956 26.986 -15.602 1.00 0.00 O ATOM 634 CB ASP A 41 4.016 29.938 -14.176 1.00 0.00 C ATOM 635 CG ASP A 41 4.919 29.340 -13.103 1.00 0.00 C ATOM 636 OD1 ASP A 41 6.014 28.852 -13.453 1.00 0.00 O ATOM 637 OD2 ASP A 41 4.485 29.399 -11.933 1.00 0.00 O ATOM 0 H ASP A 41 2.551 30.499 -16.034 1.00 0.00 H new ATOM 0 HA ASP A 41 5.169 29.453 -15.930 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.238 31.001 -14.274 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.979 29.858 -13.851 1.00 0.00 H new ATOM 642 N HIS A 42 2.773 27.315 -15.210 1.00 0.00 N ATOM 643 CA HIS A 42 2.418 25.916 -15.064 1.00 0.00 C ATOM 644 C HIS A 42 2.677 25.153 -16.353 1.00 0.00 C ATOM 645 O HIS A 42 3.108 24.002 -16.311 1.00 0.00 O ATOM 646 CB HIS A 42 0.972 25.793 -14.580 1.00 0.00 C ATOM 647 CG HIS A 42 0.812 26.198 -13.136 1.00 0.00 C ATOM 648 ND1 HIS A 42 -0.408 26.581 -12.606 1.00 0.00 N ATOM 649 CD2 HIS A 42 1.703 26.288 -12.089 1.00 0.00 C ATOM 650 CE1 HIS A 42 -0.206 26.870 -11.309 1.00 0.00 C ATOM 651 NE2 HIS A 42 1.064 26.714 -10.930 1.00 0.00 N ATOM 0 H HIS A 42 1.978 27.945 -15.103 1.00 0.00 H new ATOM 0 HA HIS A 42 3.054 25.458 -14.306 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.329 26.416 -15.202 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.636 24.764 -14.705 1.00 0.00 H new ATOM 0 HD2 HIS A 42 2.756 26.059 -12.159 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -0.991 27.195 -10.642 1.00 0.00 H new ATOM 0 HE2 HIS A 42 1.470 26.870 -10.008 1.00 0.00 H new ATOM 659 N LEU A 43 2.451 25.785 -17.507 1.00 0.00 N ATOM 660 CA LEU A 43 2.743 25.097 -18.747 1.00 0.00 C ATOM 661 C LEU A 43 4.264 25.036 -18.861 1.00 0.00 C ATOM 662 O LEU A 43 4.794 23.982 -19.193 1.00 0.00 O ATOM 663 CB LEU A 43 2.042 25.737 -19.955 1.00 0.00 C ATOM 664 CG LEU A 43 1.781 24.684 -21.045 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.497 23.883 -20.764 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.605 25.371 -22.403 1.00 0.00 C ATOM 0 H LEU A 43 2.082 26.731 -17.601 1.00 0.00 H new ATOM 0 HA LEU A 43 2.341 24.084 -18.742 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.099 26.185 -19.641 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.659 26.541 -20.357 1.00 0.00 H new ATOM 0 HG LEU A 43 2.638 24.010 -21.050 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.346 23.149 -21.555 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.590 23.371 -19.807 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.355 24.562 -20.731 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.421 24.619 -23.170 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.759 26.057 -22.357 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.510 25.926 -22.650 1.00 0.00 H new ATOM 678 N THR A 44 4.977 26.131 -18.546 1.00 0.00 N ATOM 679 CA THR A 44 6.440 26.133 -18.584 1.00 0.00 C ATOM 680 C THR A 44 7.002 24.965 -17.757 1.00 0.00 C ATOM 681 O THR A 44 7.986 24.330 -18.138 1.00 0.00 O ATOM 682 CB THR A 44 7.026 27.489 -18.157 1.00 0.00 C ATOM 683 OG1 THR A 44 6.585 28.496 -19.043 1.00 0.00 O ATOM 684 CG2 THR A 44 8.557 27.472 -18.208 1.00 0.00 C ATOM 0 H THR A 44 4.562 27.019 -18.264 1.00 0.00 H new ATOM 0 HA THR A 44 6.751 25.985 -19.618 1.00 0.00 H new ATOM 0 HB THR A 44 6.694 27.684 -17.137 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.639 28.689 -18.874 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.942 28.444 -17.901 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.935 26.703 -17.535 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.885 27.257 -19.225 1.00 0.00 H new ATOM 692 N ASN A 45 6.349 24.671 -16.628 1.00 0.00 N ATOM 693 CA ASN A 45 6.719 23.579 -15.730 1.00 0.00 C ATOM 694 C ASN A 45 6.541 22.253 -16.472 1.00 0.00 C ATOM 695 O ASN A 45 7.413 21.379 -16.440 1.00 0.00 O ATOM 696 CB ASN A 45 5.902 23.604 -14.426 1.00 0.00 C ATOM 697 CG ASN A 45 6.529 24.481 -13.345 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.052 23.970 -12.356 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.479 25.800 -13.515 1.00 0.00 N ATOM 0 H ASN A 45 5.535 25.196 -16.310 1.00 0.00 H new ATOM 0 HA ASN A 45 7.762 23.699 -15.438 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.896 23.965 -14.641 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.801 22.587 -14.047 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.882 26.420 -12.813 1.00 0.00 H new ATOM 0 HD22 ASN A 45 6.038 26.191 -14.347 1.00 0.00 H new ATOM 706 N ALA A 46 5.405 22.114 -17.166 1.00 0.00 N ATOM 707 CA ALA A 46 5.114 20.923 -17.938 1.00 0.00 C ATOM 708 C ALA A 46 6.268 20.672 -18.930 1.00 0.00 C ATOM 709 O ALA A 46 6.795 19.562 -19.010 1.00 0.00 O ATOM 710 CB ALA A 46 3.713 21.039 -18.560 1.00 0.00 C ATOM 0 H ALA A 46 4.673 22.824 -17.202 1.00 0.00 H new ATOM 0 HA ALA A 46 5.068 20.031 -17.313 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.497 20.142 -19.140 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.971 21.147 -17.769 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.676 21.911 -19.213 1.00 0.00 H new ATOM 716 N ILE A 47 6.706 21.713 -19.655 1.00 0.00 N ATOM 717 CA ILE A 47 7.838 21.596 -20.581 1.00 0.00 C ATOM 718 C ILE A 47 9.123 21.227 -19.843 1.00 0.00 C ATOM 719 O ILE A 47 9.951 20.489 -20.374 1.00 0.00 O ATOM 720 CB ILE A 47 8.079 22.884 -21.410 1.00 0.00 C ATOM 721 CG1 ILE A 47 6.983 23.148 -22.469 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.468 22.885 -22.080 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.722 23.751 -21.855 1.00 0.00 C ATOM 0 H ILE A 47 6.292 22.644 -19.616 1.00 0.00 H new ATOM 0 HA ILE A 47 7.569 20.798 -21.273 1.00 0.00 H new ATOM 0 HB ILE A 47 8.034 23.699 -20.688 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.372 23.822 -23.232 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.730 22.213 -22.969 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.596 23.805 -22.651 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.241 22.822 -21.314 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.550 22.028 -22.749 1.00 0.00 H new ATOM 0 HD11 ILE A 47 4.981 23.919 -22.637 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.316 23.066 -21.111 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.967 24.700 -21.378 1.00 0.00 H new ATOM 735 N ALA A 48 9.297 21.762 -18.635 1.00 0.00 N ATOM 736 CA ALA A 48 10.487 21.564 -17.824 1.00 0.00 C ATOM 737 C ALA A 48 10.688 20.099 -17.499 1.00 0.00 C ATOM 738 O ALA A 48 11.825 19.644 -17.398 1.00 0.00 O ATOM 739 CB ALA A 48 10.458 22.407 -16.546 1.00 0.00 C ATOM 0 H ALA A 48 8.598 22.356 -18.188 1.00 0.00 H new ATOM 0 HA ALA A 48 11.337 21.903 -18.416 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.366 22.227 -15.971 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.397 23.463 -16.808 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.590 22.131 -15.948 1.00 0.00 H new ATOM 745 N VAL A 49 9.581 19.371 -17.350 1.00 0.00 N ATOM 746 CA VAL A 49 9.645 17.960 -17.031 1.00 0.00 C ATOM 747 C VAL A 49 9.452 17.085 -18.264 1.00 0.00 C ATOM 748 O VAL A 49 9.781 15.902 -18.215 1.00 0.00 O ATOM 749 CB VAL A 49 8.646 17.650 -15.918 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.920 18.623 -14.768 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.172 17.728 -16.334 1.00 0.00 C ATOM 0 H VAL A 49 8.636 19.741 -17.446 1.00 0.00 H new ATOM 0 HA VAL A 49 10.644 17.721 -16.667 1.00 0.00 H new ATOM 0 HB VAL A 49 8.796 16.610 -15.627 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.222 18.429 -13.953 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.941 18.487 -14.411 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.792 19.647 -15.119 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.539 17.492 -15.478 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.946 18.735 -16.686 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.981 17.013 -17.134 1.00 0.00 H new ATOM 761 N CYS A 50 8.941 17.647 -19.368 1.00 0.00 N ATOM 762 CA CYS A 50 8.743 16.867 -20.585 1.00 0.00 C ATOM 763 C CYS A 50 10.013 16.865 -21.436 1.00 0.00 C ATOM 764 O CYS A 50 10.471 15.807 -21.863 1.00 0.00 O ATOM 765 CB CYS A 50 7.523 17.388 -21.332 1.00 0.00 C ATOM 766 SG CYS A 50 7.342 16.525 -22.908 1.00 0.00 S ATOM 0 H CYS A 50 8.662 18.626 -19.438 1.00 0.00 H new ATOM 0 HA CYS A 50 8.547 15.825 -20.331 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.628 17.246 -20.726 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.624 18.459 -21.505 1.00 0.00 H new ATOM 0 HG CYS A 50 6.296 16.978 -23.533 1.00 0.00 H new ATOM 772 N GLY A 51 10.589 18.046 -21.683 1.00 0.00 N ATOM 773 CA GLY A 51 11.807 18.184 -22.471 1.00 0.00 C ATOM 774 C GLY A 51 11.554 18.128 -23.980 1.00 0.00 C ATOM 775 O GLY A 51 12.502 18.176 -24.759 1.00 0.00 O ATOM 0 H GLY A 51 10.219 18.932 -21.339 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.288 19.131 -22.224 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.503 17.392 -22.195 1.00 0.00 H new ATOM 779 N GLN A 52 10.286 18.040 -24.393 1.00 0.00 N ATOM 780 CA GLN A 52 9.856 18.000 -25.783 1.00 0.00 C ATOM 781 C GLN A 52 8.829 19.120 -25.946 1.00 0.00 C ATOM 782 O GLN A 52 7.664 18.833 -26.228 1.00 0.00 O ATOM 783 CB GLN A 52 9.263 16.618 -26.092 1.00 0.00 C ATOM 784 CG GLN A 52 10.218 15.466 -25.746 1.00 0.00 C ATOM 785 CD GLN A 52 9.633 14.102 -26.107 1.00 0.00 C ATOM 786 OE1 GLN A 52 8.618 14.007 -26.793 1.00 0.00 O ATOM 787 NE2 GLN A 52 10.271 13.031 -25.636 1.00 0.00 N ATOM 0 H GLN A 52 9.505 17.993 -23.738 1.00 0.00 H new ATOM 0 HA GLN A 52 10.679 18.151 -26.481 1.00 0.00 H new ATOM 0 HB2 GLN A 52 8.335 16.494 -25.534 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.008 16.566 -27.150 1.00 0.00 H new ATOM 0 HG2 GLN A 52 11.161 15.607 -26.275 1.00 0.00 H new ATOM 0 HG3 GLN A 52 10.444 15.492 -24.680 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.111 13.146 -25.069 1.00 0.00 H new ATOM 0 HE22 GLN A 52 9.919 12.096 -25.842 1.00 0.00 H new ATOM 796 N PRO A 53 9.230 20.395 -25.760 1.00 0.00 N ATOM 797 CA PRO A 53 8.315 21.513 -25.880 1.00 0.00 C ATOM 798 C PRO A 53 7.540 21.469 -27.183 1.00 0.00 C ATOM 799 O PRO A 53 6.320 21.448 -27.160 1.00 0.00 O ATOM 800 CB PRO A 53 9.153 22.794 -25.770 1.00 0.00 C ATOM 801 CG PRO A 53 10.595 22.328 -25.958 1.00 0.00 C ATOM 802 CD PRO A 53 10.559 20.899 -25.424 1.00 0.00 C ATOM 0 HA PRO A 53 7.567 21.474 -25.088 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.869 23.520 -26.531 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.015 23.276 -24.802 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.898 22.362 -27.004 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.297 22.950 -25.403 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.338 20.289 -25.881 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.727 20.877 -24.347 1.00 0.00 H new ATOM 810 N GLN A 54 8.258 21.458 -28.303 1.00 0.00 N ATOM 811 CA GLN A 54 7.685 21.472 -29.645 1.00 0.00 C ATOM 812 C GLN A 54 6.689 20.334 -29.862 1.00 0.00 C ATOM 813 O GLN A 54 5.619 20.557 -30.430 1.00 0.00 O ATOM 814 CB GLN A 54 8.806 21.475 -30.696 1.00 0.00 C ATOM 815 CG GLN A 54 9.843 22.605 -30.510 1.00 0.00 C ATOM 816 CD GLN A 54 10.873 22.627 -31.637 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.925 21.723 -32.467 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.709 23.666 -31.668 1.00 0.00 N ATOM 0 H GLN A 54 9.278 21.439 -28.302 1.00 0.00 H new ATOM 0 HA GLN A 54 7.111 22.391 -29.759 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.321 20.515 -30.664 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.360 21.565 -31.687 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.329 23.565 -30.470 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.353 22.476 -29.555 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.638 24.399 -30.963 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.420 23.727 -32.397 1.00 0.00 H new ATOM 827 N GLN A 55 7.018 19.125 -29.393 1.00 0.00 N ATOM 828 CA GLN A 55 6.107 17.993 -29.512 1.00 0.00 C ATOM 829 C GLN A 55 4.820 18.343 -28.775 1.00 0.00 C ATOM 830 O GLN A 55 3.723 18.204 -29.311 1.00 0.00 O ATOM 831 CB GLN A 55 6.735 16.701 -28.967 1.00 0.00 C ATOM 832 CG GLN A 55 5.872 15.459 -29.233 1.00 0.00 C ATOM 833 CD GLN A 55 5.856 15.076 -30.709 1.00 0.00 C ATOM 834 OE1 GLN A 55 6.847 14.568 -31.228 1.00 0.00 O ATOM 835 NE2 GLN A 55 4.741 15.308 -31.400 1.00 0.00 N ATOM 0 H GLN A 55 7.902 18.911 -28.932 1.00 0.00 H new ATOM 0 HA GLN A 55 5.891 17.804 -30.564 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.716 16.560 -29.421 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.893 16.804 -27.893 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.251 14.622 -28.646 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.852 15.648 -28.897 1.00 0.00 H new ATOM 0 HE21 GLN A 55 3.935 15.731 -30.940 1.00 0.00 H new ATOM 0 HE22 GLN A 55 4.693 15.062 -32.389 1.00 0.00 H new ATOM 844 N LEU A 56 4.969 18.827 -27.542 1.00 0.00 N ATOM 845 CA LEU A 56 3.826 19.226 -26.748 1.00 0.00 C ATOM 846 C LEU A 56 3.079 20.385 -27.425 1.00 0.00 C ATOM 847 O LEU A 56 1.861 20.444 -27.371 1.00 0.00 O ATOM 848 CB LEU A 56 4.228 19.534 -25.296 1.00 0.00 C ATOM 849 CG LEU A 56 3.028 19.718 -24.349 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.203 18.427 -24.140 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.567 20.250 -23.017 1.00 0.00 C ATOM 0 H LEU A 56 5.870 18.949 -27.080 1.00 0.00 H new ATOM 0 HA LEU A 56 3.130 18.389 -26.693 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.854 18.724 -24.922 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.835 20.439 -25.280 1.00 0.00 H new ATOM 0 HG LEU A 56 2.333 20.425 -24.802 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.374 18.631 -23.462 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.812 18.086 -25.099 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.840 17.653 -23.712 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.740 20.392 -22.321 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.275 19.534 -22.599 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.070 21.203 -23.182 1.00 0.00 H new ATOM 863 N LEU A 57 3.767 21.318 -28.084 1.00 0.00 N ATOM 864 CA LEU A 57 3.091 22.430 -28.737 1.00 0.00 C ATOM 865 C LEU A 57 2.210 21.949 -29.884 1.00 0.00 C ATOM 866 O LEU A 57 1.079 22.421 -30.011 1.00 0.00 O ATOM 867 CB LEU A 57 4.063 23.530 -29.191 1.00 0.00 C ATOM 868 CG LEU A 57 4.871 24.229 -28.079 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.701 25.344 -28.722 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.012 24.743 -26.911 1.00 0.00 C ATOM 0 H LEU A 57 4.783 21.323 -28.177 1.00 0.00 H new ATOM 0 HA LEU A 57 2.443 22.884 -27.988 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.765 23.094 -29.902 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.494 24.288 -29.729 1.00 0.00 H new ATOM 0 HG LEU A 57 5.526 23.491 -27.616 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.282 25.854 -27.954 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.376 24.914 -29.462 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.036 26.058 -29.208 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.653 25.222 -26.171 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.286 25.466 -27.284 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.487 23.906 -26.450 1.00 0.00 H new ATOM 882 N GLN A 58 2.688 21.006 -30.708 1.00 0.00 N ATOM 883 CA GLN A 58 1.834 20.519 -31.783 1.00 0.00 C ATOM 884 C GLN A 58 0.641 19.795 -31.158 1.00 0.00 C ATOM 885 O GLN A 58 -0.489 19.979 -31.600 1.00 0.00 O ATOM 886 CB GLN A 58 2.597 19.745 -32.878 1.00 0.00 C ATOM 887 CG GLN A 58 3.159 18.354 -32.548 1.00 0.00 C ATOM 888 CD GLN A 58 2.103 17.280 -32.272 1.00 0.00 C ATOM 889 OE1 GLN A 58 2.207 16.539 -31.299 1.00 0.00 O ATOM 890 NE2 GLN A 58 1.083 17.178 -33.124 1.00 0.00 N ATOM 0 H GLN A 58 3.616 20.586 -30.653 1.00 0.00 H new ATOM 0 HA GLN A 58 1.440 21.359 -32.356 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.928 19.636 -33.732 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.430 20.369 -33.203 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.783 18.024 -33.379 1.00 0.00 H new ATOM 0 HG3 GLN A 58 3.807 18.438 -31.676 1.00 0.00 H new ATOM 0 HE21 GLN A 58 1.022 17.807 -33.924 1.00 0.00 H new ATOM 0 HE22 GLN A 58 0.363 16.471 -32.976 1.00 0.00 H new ATOM 899 N VAL A 59 0.896 19.001 -30.110 1.00 0.00 N ATOM 900 CA VAL A 59 -0.124 18.251 -29.384 1.00 0.00 C ATOM 901 C VAL A 59 -1.164 19.186 -28.755 1.00 0.00 C ATOM 902 O VAL A 59 -2.348 18.848 -28.719 1.00 0.00 O ATOM 903 CB VAL A 59 0.512 17.246 -28.396 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.326 17.581 -26.913 1.00 0.00 C ATOM 905 CG2 VAL A 59 0.024 15.829 -28.596 1.00 0.00 C ATOM 0 H VAL A 59 1.836 18.863 -29.740 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.681 17.641 -30.095 1.00 0.00 H new ATOM 0 HB VAL A 59 1.571 17.331 -28.640 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.808 16.816 -26.304 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.775 18.551 -26.700 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.738 17.615 -26.678 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.507 15.172 -27.873 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.056 15.793 -28.454 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.269 15.499 -29.606 1.00 0.00 H new ATOM 915 N LEU A 60 -0.741 20.366 -28.286 1.00 0.00 N ATOM 916 CA LEU A 60 -1.629 21.340 -27.665 1.00 0.00 C ATOM 917 C LEU A 60 -2.403 22.099 -28.736 1.00 0.00 C ATOM 918 O LEU A 60 -3.530 22.492 -28.474 1.00 0.00 O ATOM 919 CB LEU A 60 -0.805 22.391 -26.895 1.00 0.00 C ATOM 920 CG LEU A 60 -0.522 22.172 -25.399 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.629 22.778 -24.523 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.387 20.718 -24.950 1.00 0.00 C ATOM 0 H LEU A 60 0.232 20.668 -28.330 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.302 20.799 -26.999 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.156 22.489 -27.400 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.317 23.348 -26.996 1.00 0.00 H new ATOM 0 HG LEU A 60 0.443 22.663 -25.271 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.397 22.605 -23.472 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.694 23.850 -24.709 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.583 22.309 -24.766 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.189 20.685 -23.879 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.312 20.184 -25.164 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.437 20.247 -25.486 1.00 0.00 H new ATOM 934 N GLN A 61 -1.831 22.316 -29.924 1.00 0.00 N ATOM 935 CA GLN A 61 -2.512 23.060 -30.982 1.00 0.00 C ATOM 936 C GLN A 61 -3.577 22.178 -31.622 1.00 0.00 C ATOM 937 O GLN A 61 -4.684 22.618 -31.928 1.00 0.00 O ATOM 938 CB GLN A 61 -1.479 23.584 -31.999 1.00 0.00 C ATOM 939 CG GLN A 61 -2.095 24.260 -33.233 1.00 0.00 C ATOM 940 CD GLN A 61 -2.454 23.262 -34.335 1.00 0.00 C ATOM 941 OE1 GLN A 61 -1.573 22.643 -34.925 1.00 0.00 O ATOM 942 NE2 GLN A 61 -3.746 23.104 -34.629 1.00 0.00 N ATOM 0 H GLN A 61 -0.899 21.986 -30.175 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.021 23.930 -30.568 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.823 24.296 -31.499 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.856 22.752 -32.328 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.991 24.804 -32.935 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -1.393 24.995 -33.628 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -4.453 23.634 -34.120 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.026 22.453 -35.363 1.00 0.00 H new ATOM 951 N GLN A 62 -3.190 20.922 -31.814 1.00 0.00 N ATOM 952 CA GLN A 62 -3.943 19.842 -32.407 1.00 0.00 C ATOM 953 C GLN A 62 -5.179 19.515 -31.576 1.00 0.00 C ATOM 954 O GLN A 62 -6.240 19.268 -32.145 1.00 0.00 O ATOM 955 CB GLN A 62 -2.976 18.660 -32.510 1.00 0.00 C ATOM 956 CG GLN A 62 -3.630 17.359 -32.942 1.00 0.00 C ATOM 957 CD GLN A 62 -2.596 16.242 -33.055 1.00 0.00 C ATOM 958 OE1 GLN A 62 -2.299 15.767 -34.147 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.036 15.817 -31.922 1.00 0.00 N ATOM 0 H GLN A 62 -2.259 20.615 -31.531 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.324 20.107 -33.393 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.187 18.911 -33.219 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.498 18.510 -31.542 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.399 17.077 -32.223 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.127 17.498 -33.902 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.307 16.234 -31.032 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.337 15.075 -31.946 1.00 0.00 H new ATOM 968 N THR A 63 -5.054 19.503 -30.242 1.00 0.00 N ATOM 969 CA THR A 63 -6.185 19.177 -29.386 1.00 0.00 C ATOM 970 C THR A 63 -7.127 20.371 -29.219 1.00 0.00 C ATOM 971 O THR A 63 -8.336 20.173 -29.077 1.00 0.00 O ATOM 972 CB THR A 63 -5.727 18.507 -28.083 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.796 17.768 -27.525 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.195 19.478 -27.038 1.00 0.00 C ATOM 0 H THR A 63 -4.189 19.714 -29.744 1.00 0.00 H new ATOM 0 HA THR A 63 -6.797 18.421 -29.878 1.00 0.00 H new ATOM 0 HB THR A 63 -4.896 17.857 -28.357 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.500 17.341 -26.694 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.893 18.925 -26.148 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.336 20.013 -27.442 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.975 20.192 -26.774 1.00 0.00 H new ATOM 982 N LEU A 64 -6.598 21.604 -29.264 1.00 0.00 N ATOM 983 CA LEU A 64 -7.424 22.813 -29.160 1.00 0.00 C ATOM 984 C LEU A 64 -6.648 24.082 -29.544 1.00 0.00 C ATOM 985 O LEU A 64 -5.444 24.135 -29.326 1.00 0.00 O ATOM 986 CB LEU A 64 -8.085 22.945 -27.763 1.00 0.00 C ATOM 987 CG LEU A 64 -7.332 23.777 -26.705 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.265 24.057 -25.522 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.082 23.060 -26.191 1.00 0.00 C ATOM 0 H LEU A 64 -5.601 21.788 -29.372 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.229 22.703 -29.887 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.074 23.383 -27.897 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.232 21.942 -27.362 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.017 24.706 -27.180 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.736 24.645 -24.772 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.137 24.612 -25.869 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.587 23.113 -25.082 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.584 23.684 -25.448 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.368 22.112 -25.736 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.402 22.873 -27.022 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.298 25.131 -30.085 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.628 26.386 -30.413 1.00 0.00 C ATOM 1003 C PRO A 65 -6.197 27.037 -29.086 1.00 0.00 C ATOM 1004 O PRO A 65 -7.068 27.355 -28.277 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.674 27.220 -31.161 1.00 0.00 C ATOM 1006 CG PRO A 65 -9.011 26.683 -30.652 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.718 25.206 -30.390 1.00 0.00 C ATOM 0 HA PRO A 65 -5.738 26.275 -31.032 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.564 28.283 -30.947 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.581 27.101 -32.241 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.332 27.197 -29.746 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.803 26.812 -31.389 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.316 24.830 -29.560 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.963 24.598 -31.261 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.891 27.213 -28.809 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.399 27.741 -27.544 1.00 0.00 C ATOM 1017 C PRO A 66 -4.073 29.246 -27.568 1.00 0.00 C ATOM 1018 O PRO A 66 -2.990 29.622 -28.013 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.134 26.909 -27.316 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.547 26.743 -28.723 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.761 26.850 -29.651 1.00 0.00 C ATOM 0 HA PRO A 66 -5.149 27.665 -26.757 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.437 27.416 -26.649 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.365 25.945 -26.863 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.810 27.516 -28.941 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.044 25.782 -28.834 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.595 27.601 -30.423 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.945 25.904 -30.161 1.00 0.00 H new ATOM 1029 N PRO A 67 -4.947 30.141 -27.073 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.642 31.568 -27.020 1.00 0.00 C ATOM 1031 C PRO A 67 -3.583 31.831 -25.937 1.00 0.00 C ATOM 1032 O PRO A 67 -2.749 32.722 -26.075 1.00 0.00 O ATOM 1033 CB PRO A 67 -5.970 32.252 -26.690 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.721 31.198 -25.876 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.262 29.880 -26.504 1.00 0.00 C ATOM 0 HA PRO A 67 -4.231 31.948 -27.955 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.819 33.168 -26.119 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.516 32.526 -27.593 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.467 31.250 -24.817 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.801 31.325 -25.951 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.213 29.088 -25.757 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -6.961 29.550 -27.273 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.621 31.035 -24.862 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.713 31.095 -23.722 1.00 0.00 C ATOM 1045 C VAL A 68 -1.277 30.949 -24.199 1.00 0.00 C ATOM 1046 O VAL A 68 -0.422 31.737 -23.817 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.074 30.010 -22.696 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -1.950 29.851 -21.668 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.379 30.412 -22.000 1.00 0.00 C ATOM 0 H VAL A 68 -4.320 30.299 -24.764 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.813 32.063 -23.231 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.204 29.053 -23.202 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.222 29.079 -20.948 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.029 29.565 -22.177 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.798 30.796 -21.146 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.650 29.652 -21.268 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.243 31.369 -21.496 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.174 30.502 -22.741 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.031 29.942 -25.041 1.00 0.00 N ATOM 1060 CA PHE A 69 0.268 29.677 -25.647 1.00 0.00 C ATOM 1061 C PHE A 69 0.879 30.977 -26.173 1.00 0.00 C ATOM 1062 O PHE A 69 2.048 31.255 -25.925 1.00 0.00 O ATOM 1063 CB PHE A 69 0.084 28.638 -26.759 1.00 0.00 C ATOM 1064 CG PHE A 69 1.257 28.497 -27.701 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.508 28.102 -27.202 1.00 0.00 C ATOM 1066 CD2 PHE A 69 1.100 28.762 -29.074 1.00 0.00 C ATOM 1067 CE1 PHE A 69 3.601 27.981 -28.071 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.195 28.638 -29.945 1.00 0.00 C ATOM 1069 CZ PHE A 69 3.447 28.249 -29.443 1.00 0.00 C ATOM 0 H PHE A 69 -1.749 29.275 -25.324 1.00 0.00 H new ATOM 0 HA PHE A 69 0.961 29.276 -24.907 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.114 27.669 -26.301 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -0.800 28.902 -27.340 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.628 27.892 -26.150 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.136 29.061 -29.459 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.564 27.681 -27.686 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.074 28.842 -30.999 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.291 28.156 -30.110 1.00 0.00 H new ATOM 1079 N GLN A 70 0.082 31.783 -26.878 1.00 0.00 N ATOM 1080 CA GLN A 70 0.536 33.057 -27.437 1.00 0.00 C ATOM 1081 C GLN A 70 1.000 34.014 -26.333 1.00 0.00 C ATOM 1082 O GLN A 70 1.967 34.752 -26.505 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.560 33.695 -28.304 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.017 34.863 -29.137 1.00 0.00 C ATOM 1085 CD GLN A 70 -1.099 35.448 -30.038 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -1.043 35.307 -31.257 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.092 36.109 -29.444 1.00 0.00 N ATOM 0 H GLN A 70 -0.896 31.570 -27.077 1.00 0.00 H new ATOM 0 HA GLN A 70 1.395 32.856 -28.077 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.984 32.941 -28.967 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.369 34.049 -27.665 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.366 35.639 -28.474 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.820 34.521 -29.745 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.105 36.206 -28.429 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.839 36.518 -30.005 1.00 0.00 H new ATOM 1096 N MET A 71 0.312 33.992 -25.190 1.00 0.00 N ATOM 1097 CA MET A 71 0.620 34.808 -24.030 1.00 0.00 C ATOM 1098 C MET A 71 1.871 34.249 -23.355 1.00 0.00 C ATOM 1099 O MET A 71 2.684 35.010 -22.839 1.00 0.00 O ATOM 1100 CB MET A 71 -0.584 34.930 -23.085 1.00 0.00 C ATOM 1101 CG MET A 71 -1.867 35.374 -23.815 1.00 0.00 C ATOM 1102 SD MET A 71 -2.923 36.525 -22.898 1.00 0.00 S ATOM 1103 CE MET A 71 -3.345 35.487 -21.483 1.00 0.00 C ATOM 0 H MET A 71 -0.497 33.386 -25.049 1.00 0.00 H new ATOM 0 HA MET A 71 0.834 35.831 -24.341 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.760 33.970 -22.600 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.352 35.647 -22.297 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.585 35.840 -24.759 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.451 34.487 -24.059 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.039 36.021 -20.834 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.811 34.566 -21.833 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.440 35.246 -20.926 1.00 0.00 H new ATOM 1113 N LEU A 72 2.066 32.925 -23.396 1.00 0.00 N ATOM 1114 CA LEU A 72 3.265 32.297 -22.874 1.00 0.00 C ATOM 1115 C LEU A 72 4.427 32.835 -23.701 1.00 0.00 C ATOM 1116 O LEU A 72 5.459 33.213 -23.155 1.00 0.00 O ATOM 1117 CB LEU A 72 3.114 30.756 -22.856 1.00 0.00 C ATOM 1118 CG LEU A 72 4.359 29.929 -23.209 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.475 30.029 -22.163 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.970 28.451 -23.316 1.00 0.00 C ATOM 0 H LEU A 72 1.393 32.269 -23.793 1.00 0.00 H new ATOM 0 HA LEU A 72 3.455 32.543 -21.829 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.782 30.460 -21.861 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.319 30.485 -23.551 1.00 0.00 H new ATOM 0 HG LEU A 72 4.735 30.332 -24.150 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.323 29.420 -22.477 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.790 31.068 -22.065 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.106 29.670 -21.202 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.851 27.860 -23.567 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.564 28.112 -22.363 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.217 28.328 -24.095 1.00 0.00 H new ATOM 1132 N LEU A 73 4.249 32.909 -25.020 1.00 0.00 N ATOM 1133 CA LEU A 73 5.301 33.423 -25.888 1.00 0.00 C ATOM 1134 C LEU A 73 5.537 34.915 -25.718 1.00 0.00 C ATOM 1135 O LEU A 73 6.647 35.378 -25.960 1.00 0.00 O ATOM 1136 CB LEU A 73 5.000 33.178 -27.369 1.00 0.00 C ATOM 1137 CG LEU A 73 4.725 31.742 -27.828 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.567 31.820 -29.342 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.808 30.749 -27.405 1.00 0.00 C ATOM 0 H LEU A 73 3.397 32.623 -25.503 1.00 0.00 H new ATOM 0 HA LEU A 73 6.193 32.875 -25.584 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.134 33.784 -27.637 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.844 33.555 -27.946 1.00 0.00 H new ATOM 0 HG LEU A 73 3.826 31.354 -27.350 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.368 30.825 -29.739 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.736 32.482 -29.588 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.484 32.210 -29.784 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.548 29.753 -27.763 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.765 31.050 -27.832 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.884 30.735 -26.318 1.00 0.00 H new ATOM 1151 N THR A 74 4.509 35.667 -25.322 1.00 0.00 N ATOM 1152 CA THR A 74 4.635 37.104 -25.138 1.00 0.00 C ATOM 1153 C THR A 74 5.238 37.405 -23.767 1.00 0.00 C ATOM 1154 O THR A 74 5.874 38.442 -23.592 1.00 0.00 O ATOM 1155 CB THR A 74 3.348 37.868 -25.483 1.00 0.00 C ATOM 1156 OG1 THR A 74 3.663 39.102 -26.095 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.513 38.181 -24.250 1.00 0.00 C ATOM 0 H THR A 74 3.579 35.298 -25.123 1.00 0.00 H new ATOM 0 HA THR A 74 5.343 37.496 -25.868 1.00 0.00 H new ATOM 0 HB THR A 74 2.779 37.222 -26.152 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.836 39.580 -26.312 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.614 38.722 -24.547 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.231 37.251 -23.756 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.095 38.795 -23.563 1.00 0.00 H new ATOM 1165 N LYS A 75 5.053 36.501 -22.796 1.00 0.00 N ATOM 1166 CA LYS A 75 5.582 36.683 -21.458 1.00 0.00 C ATOM 1167 C LYS A 75 7.117 36.741 -21.438 1.00 0.00 C ATOM 1168 O LYS A 75 7.669 37.696 -20.897 1.00 0.00 O ATOM 1169 CB LYS A 75 4.998 35.569 -20.579 1.00 0.00 C ATOM 1170 CG LYS A 75 3.645 35.963 -19.962 1.00 0.00 C ATOM 1171 CD LYS A 75 3.755 36.702 -18.621 1.00 0.00 C ATOM 1172 CE LYS A 75 4.161 35.756 -17.478 1.00 0.00 C ATOM 1173 NZ LYS A 75 4.040 36.407 -16.160 1.00 0.00 N ATOM 0 H LYS A 75 4.535 35.632 -22.925 1.00 0.00 H new ATOM 0 HA LYS A 75 5.280 37.651 -21.057 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.874 34.665 -21.176 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.703 35.330 -19.782 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.106 36.594 -20.669 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.048 35.063 -19.820 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.489 37.504 -18.707 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.799 37.169 -18.384 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.533 34.865 -17.503 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.189 35.425 -17.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.322 35.738 -15.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 4.658 37.243 -16.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.054 36.700 -16.007 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.284 13.899 -25.362 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.123 13.401 -26.088 1.00 0.00 C ATOM 1590 C LEU B 7 -3.257 12.577 -25.139 1.00 0.00 C ATOM 1591 O LEU B 7 -2.837 11.476 -25.479 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.414 14.503 -26.913 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.738 15.768 -26.325 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.577 16.819 -25.610 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.491 15.505 -25.488 1.00 0.00 C ATOM 0 HA LEU B 7 -4.429 12.712 -26.875 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.642 13.993 -27.489 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.156 14.865 -27.625 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.484 16.217 -27.285 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -2.932 17.628 -25.268 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.325 17.216 -26.296 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.075 16.366 -24.753 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.092 16.451 -25.122 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.748 14.868 -24.642 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.740 15.007 -26.101 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.031 13.098 -23.934 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.266 12.463 -22.880 1.00 0.00 C ATOM 1609 C LEU B 8 -3.122 11.268 -22.446 1.00 0.00 C ATOM 1610 O LEU B 8 -4.167 11.421 -21.816 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.015 13.427 -21.723 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.272 14.765 -21.907 1.00 0.00 C ATOM 1613 CD1 LEU B 8 0.034 14.663 -22.686 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.216 15.891 -22.354 1.00 0.00 C ATOM 0 H LEU B 8 -3.394 14.012 -23.662 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.277 12.152 -23.216 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.990 13.667 -21.300 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.468 12.868 -20.964 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.924 15.058 -20.916 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.488 15.651 -22.767 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.717 13.992 -22.165 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.167 14.274 -23.684 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.650 16.815 -22.471 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.676 15.624 -23.305 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -2.993 16.034 -21.603 1.00 0.00 H new