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 Single : A 17 GLN : amide:sc= -0.215 K(o=-0.21,f=-1.3) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,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+ 151:sc= 1.31 (180deg=1.21) USER MOD Single : A 42 HIS : no HE2:sc= 1.06 K(o=1.1,f=-3.8!) USER MOD Single : A 44 THR OG1 : rot 73:sc= 0.983 USER MOD Single : A 45 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.00169 USER MOD Single : A 52 GLN : amide:sc= -0.281 X(o=-0.28,f=-0.28) USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 55 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.11) USER MOD Single : A 58 GLN : amide:sc= 0.574 K(o=0.57,f=0) USER MOD Single : A 61 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 62 GLN : amide:sc= 0.687 K(o=0.69,f=0) USER MOD Single : A 63 THR OG1 : rot -130:sc=-0.00789 USER MOD Single : A 70 GLN : amide:sc= -0.185 X(o=-0.18,f=-0.23) USER MOD Single : A 71 MET CE :methyl -177:sc= -0.317 (180deg=-0.323) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -160:sc= 0.932 (180deg=-0.536!) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.667 7.396 -14.534 1.00 0.00 N ATOM 205 CA GLU A 14 5.254 7.395 -14.196 1.00 0.00 C ATOM 206 C GLU A 14 4.906 8.591 -13.311 1.00 0.00 C ATOM 207 O GLU A 14 3.867 9.212 -13.501 1.00 0.00 O ATOM 208 CB GLU A 14 4.883 6.077 -13.508 1.00 0.00 C ATOM 209 CG GLU A 14 5.096 4.877 -14.439 1.00 0.00 C ATOM 210 CD GLU A 14 4.623 3.587 -13.779 1.00 0.00 C ATOM 211 OE1 GLU A 14 3.388 3.415 -13.697 1.00 0.00 O ATOM 212 OE2 GLU A 14 5.505 2.808 -13.358 1.00 0.00 O ATOM 0 HA GLU A 14 4.674 7.484 -15.114 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.486 5.953 -12.609 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.841 6.112 -13.191 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.553 5.034 -15.371 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.152 4.793 -14.695 1.00 0.00 H new ATOM 219 N ALA A 15 5.776 8.922 -12.352 1.00 0.00 N ATOM 220 CA ALA A 15 5.573 10.046 -11.441 1.00 0.00 C ATOM 221 C ALA A 15 5.632 11.365 -12.196 1.00 0.00 C ATOM 222 O ALA A 15 4.870 12.292 -11.927 1.00 0.00 O ATOM 223 CB ALA A 15 6.675 10.088 -10.380 1.00 0.00 C ATOM 0 H ALA A 15 6.645 8.413 -12.187 1.00 0.00 H new ATOM 0 HA ALA A 15 4.596 9.910 -10.977 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.505 10.932 -9.712 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.662 9.162 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.644 10.200 -10.866 1.00 0.00 H new ATOM 229 N VAL A 16 6.570 11.427 -13.140 1.00 0.00 N ATOM 230 CA VAL A 16 6.797 12.604 -13.963 1.00 0.00 C ATOM 231 C VAL A 16 5.594 12.749 -14.883 1.00 0.00 C ATOM 232 O VAL A 16 5.136 13.864 -15.100 1.00 0.00 O ATOM 233 CB VAL A 16 8.162 12.534 -14.682 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.161 12.881 -16.168 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.231 13.336 -13.961 1.00 0.00 C ATOM 0 H VAL A 16 7.197 10.652 -13.354 1.00 0.00 H new ATOM 0 HA VAL A 16 6.872 13.510 -13.362 1.00 0.00 H new ATOM 0 HB VAL A 16 8.401 11.472 -14.638 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.174 12.797 -16.562 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.505 12.193 -16.702 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.803 13.902 -16.303 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.173 13.257 -14.503 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.929 14.382 -13.910 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.360 12.946 -12.951 1.00 0.00 H new ATOM 245 N GLN A 17 5.068 11.629 -15.393 1.00 0.00 N ATOM 246 CA GLN A 17 3.898 11.650 -16.256 1.00 0.00 C ATOM 247 C GLN A 17 2.689 12.103 -15.449 1.00 0.00 C ATOM 248 O GLN A 17 1.912 12.922 -15.933 1.00 0.00 O ATOM 249 CB GLN A 17 3.653 10.291 -16.937 1.00 0.00 C ATOM 250 CG GLN A 17 2.520 10.324 -17.978 1.00 0.00 C ATOM 251 CD GLN A 17 2.798 11.234 -19.176 1.00 0.00 C ATOM 252 OE1 GLN A 17 3.923 11.671 -19.399 1.00 0.00 O ATOM 253 NE2 GLN A 17 1.762 11.531 -19.959 1.00 0.00 N ATOM 0 H GLN A 17 5.442 10.696 -15.217 1.00 0.00 H new ATOM 0 HA GLN A 17 4.074 12.361 -17.064 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.573 9.965 -17.422 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.415 9.549 -16.175 1.00 0.00 H new ATOM 0 HG2 GLN A 17 2.343 9.311 -18.339 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.603 10.654 -17.490 1.00 0.00 H new ATOM 0 HE21 GLN A 17 0.838 11.153 -19.748 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.892 12.137 -20.769 1.00 0.00 H new ATOM 262 N LYS A 18 2.534 11.578 -14.225 1.00 0.00 N ATOM 263 CA LYS A 18 1.402 11.930 -13.375 1.00 0.00 C ATOM 264 C LYS A 18 1.404 13.431 -13.101 1.00 0.00 C ATOM 265 O LYS A 18 0.412 14.107 -13.361 1.00 0.00 O ATOM 266 CB LYS A 18 1.400 11.129 -12.059 1.00 0.00 C ATOM 267 CG LYS A 18 1.157 9.617 -12.232 1.00 0.00 C ATOM 268 CD LYS A 18 -0.048 9.097 -11.434 1.00 0.00 C ATOM 269 CE LYS A 18 -1.395 9.545 -12.019 1.00 0.00 C ATOM 270 NZ LYS A 18 -2.529 9.057 -11.211 1.00 0.00 N ATOM 0 H LYS A 18 3.181 10.909 -13.807 1.00 0.00 H new ATOM 0 HA LYS A 18 0.487 11.668 -13.907 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.357 11.275 -11.558 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.631 11.535 -11.402 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.004 9.400 -13.289 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.050 9.075 -11.921 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.015 8.008 -11.406 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.028 9.445 -10.404 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -1.426 10.633 -12.070 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.490 9.175 -13.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.422 9.379 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -2.514 8.017 -11.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.452 9.430 -10.243 1.00 0.00 H new ATOM 284 N PHE A 19 2.523 13.944 -12.587 1.00 0.00 N ATOM 285 CA PHE A 19 2.674 15.358 -12.283 1.00 0.00 C ATOM 286 C PHE A 19 2.532 16.223 -13.543 1.00 0.00 C ATOM 287 O PHE A 19 1.856 17.248 -13.512 1.00 0.00 O ATOM 288 CB PHE A 19 4.025 15.599 -11.583 1.00 0.00 C ATOM 289 CG PHE A 19 4.508 17.024 -11.750 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.217 17.364 -12.913 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.237 18.011 -10.786 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.636 18.681 -13.117 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.675 19.333 -10.990 1.00 0.00 C ATOM 294 CZ PHE A 19 5.374 19.666 -12.167 1.00 0.00 C ATOM 0 H PHE A 19 3.349 13.385 -12.371 1.00 0.00 H new ATOM 0 HA PHE A 19 1.873 15.655 -11.606 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.928 15.372 -10.521 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.770 14.915 -11.989 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.439 16.607 -13.651 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.693 17.755 -9.889 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.169 18.938 -14.021 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.476 20.090 -10.246 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.705 20.681 -12.332 1.00 0.00 H new ATOM 304 N PHE A 20 3.188 15.824 -14.641 1.00 0.00 N ATOM 305 CA PHE A 20 3.178 16.570 -15.899 1.00 0.00 C ATOM 306 C PHE A 20 1.722 16.792 -16.310 1.00 0.00 C ATOM 307 O PHE A 20 1.313 17.913 -16.609 1.00 0.00 O ATOM 308 CB PHE A 20 3.994 15.799 -16.944 1.00 0.00 C ATOM 309 CG PHE A 20 3.991 16.262 -18.380 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.473 17.539 -18.703 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.537 15.401 -19.397 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.505 17.958 -20.042 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.572 15.820 -20.737 1.00 0.00 C ATOM 314 CZ PHE A 20 4.061 17.095 -21.057 1.00 0.00 C ATOM 0 H PHE A 20 3.743 14.969 -14.678 1.00 0.00 H new ATOM 0 HA PHE A 20 3.645 17.550 -15.797 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.030 15.789 -16.606 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.645 14.766 -16.933 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.819 18.199 -17.922 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.162 14.419 -19.147 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.871 18.943 -20.292 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.223 15.162 -21.519 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.096 17.414 -22.088 1.00 0.00 H new ATOM 324 N LEU A 21 0.933 15.711 -16.279 1.00 0.00 N ATOM 325 CA LEU A 21 -0.486 15.744 -16.583 1.00 0.00 C ATOM 326 C LEU A 21 -1.259 16.551 -15.548 1.00 0.00 C ATOM 327 O LEU A 21 -2.153 17.307 -15.922 1.00 0.00 O ATOM 328 CB LEU A 21 -1.039 14.311 -16.681 1.00 0.00 C ATOM 329 CG LEU A 21 -1.315 13.803 -18.107 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.524 12.285 -18.030 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.563 14.520 -18.624 1.00 0.00 C ATOM 0 H LEU A 21 1.276 14.781 -16.038 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.615 16.239 -17.546 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.331 13.634 -16.204 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.966 14.258 -16.110 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.490 14.006 -18.789 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.722 11.894 -19.028 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.627 11.814 -17.627 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.371 12.067 -17.380 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.785 14.180 -19.636 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.408 14.296 -17.972 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.387 15.596 -18.633 1.00 0.00 H new ATOM 343 N GLU A 22 -0.927 16.413 -14.261 1.00 0.00 N ATOM 344 CA GLU A 22 -1.597 17.173 -13.216 1.00 0.00 C ATOM 345 C GLU A 22 -1.449 18.668 -13.501 1.00 0.00 C ATOM 346 O GLU A 22 -2.370 19.428 -13.229 1.00 0.00 O ATOM 347 CB GLU A 22 -1.027 16.829 -11.826 1.00 0.00 C ATOM 348 CG GLU A 22 -1.809 17.502 -10.688 1.00 0.00 C ATOM 349 CD GLU A 22 -1.175 17.204 -9.334 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.354 16.065 -8.851 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.508 18.119 -8.804 1.00 0.00 O ATOM 0 H GLU A 22 -0.200 15.782 -13.924 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.654 16.908 -13.213 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.046 15.748 -11.686 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.017 17.138 -11.778 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.838 18.579 -10.850 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.841 17.151 -10.695 1.00 0.00 H new ATOM 358 N GLU A 23 -0.300 19.087 -14.045 1.00 0.00 N ATOM 359 CA GLU A 23 0.002 20.478 -14.334 1.00 0.00 C ATOM 360 C GLU A 23 -0.705 20.914 -15.614 1.00 0.00 C ATOM 361 O GLU A 23 -1.329 21.970 -15.639 1.00 0.00 O ATOM 362 CB GLU A 23 1.517 20.695 -14.345 1.00 0.00 C ATOM 363 CG GLU A 23 1.814 22.187 -14.202 1.00 0.00 C ATOM 364 CD GLU A 23 3.247 22.415 -13.750 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.136 21.738 -14.310 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.419 23.253 -12.836 1.00 0.00 O ATOM 0 H GLU A 23 0.455 18.450 -14.298 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.386 21.124 -13.546 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.981 20.140 -13.530 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.944 20.315 -15.273 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.645 22.688 -15.155 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.127 22.631 -13.482 1.00 0.00 H new ATOM 373 N ILE A 24 -0.639 20.080 -16.658 1.00 0.00 N ATOM 374 CA ILE A 24 -1.331 20.301 -17.936 1.00 0.00 C ATOM 375 C ILE A 24 -2.817 20.591 -17.623 1.00 0.00 C ATOM 376 O ILE A 24 -3.394 21.582 -18.090 1.00 0.00 O ATOM 377 CB ILE A 24 -1.130 19.060 -18.883 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.081 19.132 -19.858 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.374 18.560 -19.626 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.169 18.542 -21.259 1.00 0.00 C ATOM 0 H ILE A 24 -0.094 19.218 -16.640 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.918 21.156 -18.471 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.892 18.309 -18.130 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.377 20.175 -19.968 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.923 18.608 -19.406 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.108 17.703 -20.245 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.135 18.264 -18.904 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.765 19.357 -20.258 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.734 18.640 -21.862 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.432 17.488 -21.168 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.986 19.080 -21.740 1.00 0.00 H new ATOM 392 N GLN A 25 -3.432 19.715 -16.813 1.00 0.00 N ATOM 393 CA GLN A 25 -4.842 19.830 -16.448 1.00 0.00 C ATOM 394 C GLN A 25 -5.106 20.992 -15.498 1.00 0.00 C ATOM 395 O GLN A 25 -6.005 21.790 -15.749 1.00 0.00 O ATOM 396 CB GLN A 25 -5.372 18.511 -15.856 1.00 0.00 C ATOM 397 CG GLN A 25 -5.378 17.294 -16.801 1.00 0.00 C ATOM 398 CD GLN A 25 -6.188 16.162 -16.179 1.00 0.00 C ATOM 399 OE1 GLN A 25 -7.380 16.033 -16.441 1.00 0.00 O ATOM 400 NE2 GLN A 25 -5.548 15.348 -15.341 1.00 0.00 N ATOM 0 H GLN A 25 -2.962 18.911 -16.397 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.386 20.040 -17.369 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.771 18.262 -14.981 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.391 18.678 -15.506 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.805 17.572 -17.765 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.357 16.962 -16.989 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -4.556 15.490 -15.150 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.050 14.583 -14.890 1.00 0.00 H new ATOM 409 N LEU A 26 -4.327 21.086 -14.419 1.00 0.00 N ATOM 410 CA LEU A 26 -4.444 22.149 -13.417 1.00 0.00 C ATOM 411 C LEU A 26 -4.420 23.498 -14.132 1.00 0.00 C ATOM 412 O LEU A 26 -5.276 24.338 -13.875 1.00 0.00 O ATOM 413 CB LEU A 26 -3.345 21.997 -12.349 1.00 0.00 C ATOM 414 CG LEU A 26 -3.166 23.046 -11.246 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.833 24.459 -11.725 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.382 23.054 -10.335 1.00 0.00 C ATOM 0 H LEU A 26 -3.586 20.416 -14.213 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.390 22.080 -12.881 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.510 21.039 -11.855 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.394 21.924 -12.877 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.278 22.735 -10.696 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.728 25.120 -10.864 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.898 24.442 -12.286 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.635 24.824 -12.367 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.247 23.802 -9.554 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.271 23.294 -10.917 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.502 22.071 -9.879 1.00 0.00 H new ATOM 428 N GLY A 27 -3.463 23.693 -15.047 1.00 0.00 N ATOM 429 CA GLY A 27 -3.346 24.907 -15.840 1.00 0.00 C ATOM 430 C GLY A 27 -4.639 25.124 -16.603 1.00 0.00 C ATOM 431 O GLY A 27 -5.306 26.121 -16.340 1.00 0.00 O ATOM 0 H GLY A 27 -2.744 23.000 -15.254 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.142 25.761 -15.194 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.509 24.825 -16.533 1.00 0.00 H new ATOM 435 N GLU A 28 -5.012 24.214 -17.522 1.00 0.00 N ATOM 436 CA GLU A 28 -6.272 24.396 -18.253 1.00 0.00 C ATOM 437 C GLU A 28 -7.444 24.783 -17.330 1.00 0.00 C ATOM 438 O GLU A 28 -8.233 25.668 -17.655 1.00 0.00 O ATOM 439 CB GLU A 28 -6.603 23.172 -19.117 1.00 0.00 C ATOM 440 CG GLU A 28 -7.728 23.518 -20.106 1.00 0.00 C ATOM 441 CD GLU A 28 -8.100 22.340 -20.996 1.00 0.00 C ATOM 442 OE1 GLU A 28 -8.752 21.419 -20.463 1.00 0.00 O ATOM 443 OE2 GLU A 28 -7.726 22.379 -22.187 1.00 0.00 O ATOM 0 H GLU A 28 -4.481 23.378 -17.767 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.123 25.241 -18.925 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.715 22.849 -19.661 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.908 22.340 -18.482 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.608 23.843 -19.552 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.416 24.356 -20.729 1.00 0.00 H new ATOM 450 N GLU A 29 -7.540 24.136 -16.167 1.00 0.00 N ATOM 451 CA GLU A 29 -8.574 24.390 -15.167 1.00 0.00 C ATOM 452 C GLU A 29 -8.455 25.789 -14.547 1.00 0.00 C ATOM 453 O GLU A 29 -9.462 26.466 -14.360 1.00 0.00 O ATOM 454 CB GLU A 29 -8.599 23.265 -14.123 1.00 0.00 C ATOM 455 CG GLU A 29 -9.727 23.442 -13.103 1.00 0.00 C ATOM 456 CD GLU A 29 -10.055 22.129 -12.395 1.00 0.00 C ATOM 457 OE1 GLU A 29 -10.640 21.250 -13.068 1.00 0.00 O ATOM 458 OE2 GLU A 29 -9.724 22.026 -11.195 1.00 0.00 O ATOM 0 H GLU A 29 -6.885 23.405 -15.890 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.541 24.384 -15.669 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.717 22.306 -14.628 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.642 23.235 -13.602 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.438 24.191 -12.366 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.618 23.817 -13.606 1.00 0.00 H new ATOM 465 N LEU A 30 -7.244 26.261 -14.239 1.00 0.00 N ATOM 466 CA LEU A 30 -7.063 27.603 -13.696 1.00 0.00 C ATOM 467 C LEU A 30 -7.463 28.616 -14.765 1.00 0.00 C ATOM 468 O LEU A 30 -8.097 29.625 -14.463 1.00 0.00 O ATOM 469 CB LEU A 30 -5.612 27.835 -13.233 1.00 0.00 C ATOM 470 CG LEU A 30 -5.306 27.565 -11.746 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.824 27.869 -11.500 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.121 28.457 -10.794 1.00 0.00 C ATOM 0 H LEU A 30 -6.379 25.733 -14.357 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.696 27.723 -12.817 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.958 27.204 -13.835 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.346 28.869 -13.452 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.566 26.526 -11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.584 27.685 -10.453 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.211 27.226 -12.131 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.622 28.913 -11.741 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.862 28.220 -9.762 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.895 29.504 -10.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.185 28.279 -10.951 1.00 0.00 H new ATOM 484 N LEU A 31 -7.125 28.344 -16.026 1.00 0.00 N ATOM 485 CA LEU A 31 -7.504 29.212 -17.137 1.00 0.00 C ATOM 486 C LEU A 31 -9.012 29.169 -17.317 1.00 0.00 C ATOM 487 O LEU A 31 -9.615 30.173 -17.686 1.00 0.00 O ATOM 488 CB LEU A 31 -6.759 28.781 -18.383 1.00 0.00 C ATOM 489 CG LEU A 31 -5.271 29.144 -18.301 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.625 29.292 -16.915 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.543 28.067 -19.084 1.00 0.00 C ATOM 0 H LEU A 31 -6.586 27.523 -16.303 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.229 30.247 -16.931 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.865 27.705 -18.518 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.203 29.257 -19.257 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.188 30.156 -18.697 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.572 29.550 -17.030 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.133 30.080 -16.359 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.711 28.351 -16.371 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.471 28.266 -19.066 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.739 27.094 -18.633 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.895 28.067 -20.116 1.00 0.00 H new ATOM 503 N ALA A 32 -9.620 28.024 -16.995 1.00 0.00 N ATOM 504 CA ALA A 32 -11.067 27.887 -17.002 1.00 0.00 C ATOM 505 C ALA A 32 -11.690 28.880 -16.009 1.00 0.00 C ATOM 506 O ALA A 32 -12.865 29.216 -16.136 1.00 0.00 O ATOM 507 CB ALA A 32 -11.494 26.440 -16.731 1.00 0.00 C ATOM 0 H ALA A 32 -9.122 27.176 -16.725 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.441 28.131 -17.996 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.582 26.373 -16.743 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.082 25.789 -17.502 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.122 26.128 -15.755 1.00 0.00 H new ATOM 513 N GLN A 33 -10.893 29.375 -15.046 1.00 0.00 N ATOM 514 CA GLN A 33 -11.280 30.382 -14.070 1.00 0.00 C ATOM 515 C GLN A 33 -10.894 31.745 -14.655 1.00 0.00 C ATOM 516 O GLN A 33 -11.642 32.713 -14.536 1.00 0.00 O ATOM 517 CB GLN A 33 -10.591 30.102 -12.724 1.00 0.00 C ATOM 518 CG GLN A 33 -11.620 29.964 -11.598 1.00 0.00 C ATOM 519 CD GLN A 33 -10.944 29.697 -10.256 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.006 30.521 -9.349 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.291 28.542 -10.123 1.00 0.00 N ATOM 0 H GLN A 33 -9.928 29.066 -14.931 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.352 30.365 -13.873 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.001 29.188 -12.797 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.898 30.911 -12.491 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.215 30.875 -11.533 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.308 29.150 -11.829 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.261 27.881 -10.899 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.822 28.320 -9.245 1.00 0.00 H new ATOM 530 N GLY A 34 -9.727 31.786 -15.308 1.00 0.00 N ATOM 531 CA GLY A 34 -9.161 32.936 -15.995 1.00 0.00 C ATOM 532 C GLY A 34 -7.714 33.239 -15.608 1.00 0.00 C ATOM 533 O GLY A 34 -7.222 34.304 -15.978 1.00 0.00 O ATOM 0 H GLY A 34 -9.123 30.966 -15.370 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.211 32.765 -17.070 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.774 33.812 -15.783 1.00 0.00 H new ATOM 537 N ASP A 35 -7.020 32.354 -14.873 1.00 0.00 N ATOM 538 CA ASP A 35 -5.648 32.657 -14.442 1.00 0.00 C ATOM 539 C ASP A 35 -4.564 32.312 -15.479 1.00 0.00 C ATOM 540 O ASP A 35 -3.627 31.567 -15.198 1.00 0.00 O ATOM 541 CB ASP A 35 -5.374 32.075 -13.047 1.00 0.00 C ATOM 542 CG ASP A 35 -4.188 32.737 -12.342 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.396 33.427 -13.024 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.077 32.515 -11.117 1.00 0.00 O ATOM 0 H ASP A 35 -7.376 31.447 -14.572 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.580 33.742 -14.363 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.266 32.190 -12.431 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.184 31.005 -13.137 1.00 0.00 H new ATOM 549 N TYR A 36 -4.692 32.882 -16.682 1.00 0.00 N ATOM 550 CA TYR A 36 -3.792 32.762 -17.829 1.00 0.00 C ATOM 551 C TYR A 36 -2.325 32.870 -17.435 1.00 0.00 C ATOM 552 O TYR A 36 -1.489 32.098 -17.901 1.00 0.00 O ATOM 553 CB TYR A 36 -4.146 33.825 -18.876 1.00 0.00 C ATOM 554 CG TYR A 36 -5.633 34.037 -19.101 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.452 32.965 -19.502 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.201 35.309 -18.899 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.829 33.162 -19.700 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.577 35.507 -19.098 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.391 34.434 -19.497 1.00 0.00 C ATOM 560 OH TYR A 36 -9.727 34.632 -19.686 1.00 0.00 O ATOM 0 H TYR A 36 -5.488 33.484 -16.893 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.930 31.767 -18.252 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.701 34.773 -18.573 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.687 33.546 -19.824 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.020 31.987 -19.658 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.577 36.135 -18.590 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.455 32.337 -20.008 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.010 36.485 -18.944 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.948 35.569 -19.501 1.00 0.00 H new ATOM 570 N GLU A 37 -2.036 33.834 -16.566 1.00 0.00 N ATOM 571 CA GLU A 37 -0.700 34.104 -16.063 1.00 0.00 C ATOM 572 C GLU A 37 -0.119 32.864 -15.397 1.00 0.00 C ATOM 573 O GLU A 37 1.036 32.505 -15.629 1.00 0.00 O ATOM 574 CB GLU A 37 -0.701 35.330 -15.143 1.00 0.00 C ATOM 575 CG GLU A 37 -1.339 36.559 -15.810 1.00 0.00 C ATOM 576 CD GLU A 37 -0.673 36.894 -17.140 1.00 0.00 C ATOM 577 OE1 GLU A 37 0.421 37.500 -17.104 1.00 0.00 O ATOM 578 OE2 GLU A 37 -1.240 36.520 -18.190 1.00 0.00 O ATOM 0 H GLU A 37 -2.744 34.462 -16.185 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.047 34.347 -16.901 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.243 35.094 -14.227 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.323 35.566 -14.855 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.401 36.374 -15.972 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.264 37.416 -15.140 1.00 0.00 H new ATOM 585 N LYS A 38 -0.945 32.193 -14.596 1.00 0.00 N ATOM 586 CA LYS A 38 -0.544 30.954 -13.946 1.00 0.00 C ATOM 587 C LYS A 38 -0.449 29.843 -14.977 1.00 0.00 C ATOM 588 O LYS A 38 0.413 28.981 -14.846 1.00 0.00 O ATOM 589 CB LYS A 38 -1.473 30.565 -12.787 1.00 0.00 C ATOM 590 CG LYS A 38 -0.923 31.022 -11.430 1.00 0.00 C ATOM 591 CD LYS A 38 0.140 30.021 -10.940 1.00 0.00 C ATOM 592 CE LYS A 38 1.188 30.663 -10.025 1.00 0.00 C ATOM 593 NZ LYS A 38 2.255 31.324 -10.801 1.00 0.00 N ATOM 0 H LYS A 38 -1.897 32.490 -14.383 1.00 0.00 H new ATOM 0 HA LYS A 38 0.438 31.114 -13.501 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.456 31.007 -12.947 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.607 29.483 -12.778 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.487 32.017 -11.519 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.732 31.093 -10.703 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.352 29.209 -10.406 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.640 29.579 -11.802 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.706 31.392 -9.374 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.625 29.900 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.642 32.118 -10.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.013 30.640 -11.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.864 31.680 -11.696 1.00 0.00 H new ATOM 607 N GLY A 39 -1.294 29.861 -16.011 1.00 0.00 N ATOM 608 CA GLY A 39 -1.216 28.863 -17.061 1.00 0.00 C ATOM 609 C GLY A 39 0.127 28.937 -17.761 1.00 0.00 C ATOM 610 O GLY A 39 0.694 27.902 -18.084 1.00 0.00 O ATOM 0 H GLY A 39 -2.032 30.554 -16.136 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.359 27.869 -16.638 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.018 29.021 -17.782 1.00 0.00 H new ATOM 614 N VAL A 40 0.641 30.149 -17.997 1.00 0.00 N ATOM 615 CA VAL A 40 1.927 30.304 -18.663 1.00 0.00 C ATOM 616 C VAL A 40 3.021 29.647 -17.817 1.00 0.00 C ATOM 617 O VAL A 40 3.816 28.866 -18.329 1.00 0.00 O ATOM 618 CB VAL A 40 2.229 31.791 -18.972 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.677 31.958 -19.443 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.312 32.378 -20.061 1.00 0.00 C ATOM 0 H VAL A 40 0.187 31.025 -17.738 1.00 0.00 H new ATOM 0 HA VAL A 40 1.895 29.798 -19.628 1.00 0.00 H new ATOM 0 HB VAL A 40 2.052 32.328 -18.040 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.872 33.009 -19.656 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.356 31.614 -18.662 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.836 31.370 -20.347 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.573 33.422 -20.232 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.439 31.816 -20.986 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.273 32.312 -19.737 1.00 0.00 H new ATOM 630 N ASP A 41 3.046 29.968 -16.523 1.00 0.00 N ATOM 631 CA ASP A 41 4.021 29.462 -15.558 1.00 0.00 C ATOM 632 C ASP A 41 3.944 27.939 -15.437 1.00 0.00 C ATOM 633 O ASP A 41 4.940 27.233 -15.573 1.00 0.00 O ATOM 634 CB ASP A 41 3.806 30.169 -14.206 1.00 0.00 C ATOM 635 CG ASP A 41 4.542 29.526 -13.036 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.703 29.113 -13.232 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.921 29.501 -11.949 1.00 0.00 O ATOM 0 H ASP A 41 2.368 30.606 -16.106 1.00 0.00 H new ATOM 0 HA ASP A 41 5.029 29.686 -15.907 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.129 31.206 -14.297 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.739 30.185 -13.984 1.00 0.00 H new ATOM 642 N HIS A 42 2.743 27.435 -15.181 1.00 0.00 N ATOM 643 CA HIS A 42 2.477 26.017 -15.022 1.00 0.00 C ATOM 644 C HIS A 42 2.807 25.277 -16.301 1.00 0.00 C ATOM 645 O HIS A 42 3.362 24.182 -16.252 1.00 0.00 O ATOM 646 CB HIS A 42 1.023 25.764 -14.604 1.00 0.00 C ATOM 647 CG HIS A 42 0.798 25.928 -13.125 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.525 25.218 -12.180 1.00 0.00 N ATOM 649 CD2 HIS A 42 -0.068 26.710 -12.403 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.080 25.595 -10.970 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.105 26.505 -11.037 1.00 0.00 N ATOM 0 H HIS A 42 1.911 28.016 -15.077 1.00 0.00 H new ATOM 0 HA HIS A 42 3.117 25.639 -14.224 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.371 26.451 -15.143 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.736 24.755 -14.900 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.260 24.537 -12.369 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.786 27.391 -12.835 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.469 25.204 -10.042 1.00 0.00 H new ATOM 659 N LEU A 43 2.488 25.864 -17.458 1.00 0.00 N ATOM 660 CA LEU A 43 2.814 25.170 -18.686 1.00 0.00 C ATOM 661 C LEU A 43 4.334 25.155 -18.797 1.00 0.00 C ATOM 662 O LEU A 43 4.900 24.110 -19.093 1.00 0.00 O ATOM 663 CB LEU A 43 2.097 25.746 -19.916 1.00 0.00 C ATOM 664 CG LEU A 43 1.827 24.635 -20.946 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.544 23.854 -20.609 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.637 25.237 -22.341 1.00 0.00 C ATOM 0 H LEU A 43 2.029 26.769 -17.562 1.00 0.00 H new ATOM 0 HA LEU A 43 2.444 24.145 -18.655 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.157 26.208 -19.614 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.706 26.529 -20.367 1.00 0.00 H new ATOM 0 HG LEU A 43 2.687 23.966 -20.921 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.384 23.077 -21.357 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.645 23.395 -19.625 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.307 24.536 -20.606 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.447 24.439 -23.059 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.790 25.923 -22.329 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.538 25.778 -22.630 1.00 0.00 H new ATOM 678 N THR A 44 5.001 26.284 -18.514 1.00 0.00 N ATOM 679 CA THR A 44 6.462 26.349 -18.554 1.00 0.00 C ATOM 680 C THR A 44 7.070 25.230 -17.689 1.00 0.00 C ATOM 681 O THR A 44 8.084 24.625 -18.039 1.00 0.00 O ATOM 682 CB THR A 44 6.987 27.740 -18.162 1.00 0.00 C ATOM 683 OG1 THR A 44 6.522 28.700 -19.088 1.00 0.00 O ATOM 684 CG2 THR A 44 8.519 27.784 -18.183 1.00 0.00 C ATOM 0 H THR A 44 4.549 27.161 -18.256 1.00 0.00 H new ATOM 0 HA THR A 44 6.782 26.186 -19.583 1.00 0.00 H new ATOM 0 HB THR A 44 6.629 27.954 -17.155 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.567 28.862 -18.940 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.858 28.781 -17.901 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.914 27.053 -17.477 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.876 27.549 -19.186 1.00 0.00 H new ATOM 692 N ASN A 45 6.422 24.946 -16.557 1.00 0.00 N ATOM 693 CA ASN A 45 6.855 23.902 -15.634 1.00 0.00 C ATOM 694 C ASN A 45 6.651 22.528 -16.278 1.00 0.00 C ATOM 695 O ASN A 45 7.526 21.660 -16.192 1.00 0.00 O ATOM 696 CB ASN A 45 6.179 24.031 -14.265 1.00 0.00 C ATOM 697 CG ASN A 45 6.899 25.014 -13.346 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.722 24.613 -12.527 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.602 26.305 -13.470 1.00 0.00 N ATOM 0 H ASN A 45 5.580 25.437 -16.256 1.00 0.00 H new ATOM 0 HA ASN A 45 7.921 24.022 -15.439 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.148 24.356 -14.402 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.144 23.052 -13.787 1.00 0.00 H new ATOM 0 HD21 ASN A 45 7.063 26.994 -12.875 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.914 26.606 -14.160 1.00 0.00 H new ATOM 706 N ALA A 46 5.515 22.338 -16.964 1.00 0.00 N ATOM 707 CA ALA A 46 5.234 21.098 -17.666 1.00 0.00 C ATOM 708 C ALA A 46 6.404 20.834 -18.639 1.00 0.00 C ATOM 709 O ALA A 46 6.933 19.723 -18.705 1.00 0.00 O ATOM 710 CB ALA A 46 3.824 21.132 -18.284 1.00 0.00 C ATOM 0 H ALA A 46 4.777 23.038 -17.042 1.00 0.00 H new ATOM 0 HA ALA A 46 5.191 20.238 -16.998 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.633 20.194 -18.805 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.084 21.266 -17.495 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.756 21.960 -18.990 1.00 0.00 H new ATOM 716 N ILE A 47 6.861 21.872 -19.359 1.00 0.00 N ATOM 717 CA ILE A 47 8.015 21.761 -20.255 1.00 0.00 C ATOM 718 C ILE A 47 9.293 21.438 -19.477 1.00 0.00 C ATOM 719 O ILE A 47 10.154 20.722 -19.982 1.00 0.00 O ATOM 720 CB ILE A 47 8.237 23.026 -21.126 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.175 23.208 -22.238 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.653 23.061 -21.738 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.856 23.753 -21.704 1.00 0.00 C ATOM 0 H ILE A 47 6.443 22.802 -19.334 1.00 0.00 H new ATOM 0 HA ILE A 47 7.784 20.938 -20.931 1.00 0.00 H new ATOM 0 HB ILE A 47 8.127 23.864 -20.438 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.563 23.886 -22.998 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.997 22.250 -22.726 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.767 23.962 -22.340 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.395 23.062 -20.939 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.799 22.183 -22.368 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.148 23.861 -22.525 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.450 23.063 -20.964 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.025 24.725 -21.240 1.00 0.00 H new ATOM 735 N ALA A 48 9.429 21.977 -18.267 1.00 0.00 N ATOM 736 CA ALA A 48 10.613 21.795 -17.437 1.00 0.00 C ATOM 737 C ALA A 48 10.793 20.343 -17.040 1.00 0.00 C ATOM 738 O ALA A 48 11.923 19.899 -16.852 1.00 0.00 O ATOM 739 CB ALA A 48 10.609 22.697 -16.202 1.00 0.00 C ATOM 0 H ALA A 48 8.712 22.558 -17.833 1.00 0.00 H new ATOM 0 HA ALA A 48 11.465 22.092 -18.049 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.513 22.520 -15.620 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.576 23.741 -16.514 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.734 22.473 -15.591 1.00 0.00 H new ATOM 745 N VAL A 49 9.685 19.606 -16.932 1.00 0.00 N ATOM 746 CA VAL A 49 9.746 18.204 -16.568 1.00 0.00 C ATOM 747 C VAL A 49 9.645 17.311 -17.801 1.00 0.00 C ATOM 748 O VAL A 49 10.016 16.142 -17.725 1.00 0.00 O ATOM 749 CB VAL A 49 8.668 17.888 -15.531 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.790 18.860 -14.355 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.237 17.919 -16.071 1.00 0.00 C ATOM 0 H VAL A 49 8.743 19.962 -17.092 1.00 0.00 H new ATOM 0 HA VAL A 49 10.715 17.995 -16.114 1.00 0.00 H new ATOM 0 HB VAL A 49 8.848 16.860 -15.217 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.021 18.635 -13.616 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.774 18.757 -13.898 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.661 19.882 -14.713 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.540 17.683 -15.267 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.017 18.912 -16.462 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.133 17.184 -16.869 1.00 0.00 H new ATOM 761 N CYS A 50 9.164 17.842 -18.934 1.00 0.00 N ATOM 762 CA CYS A 50 9.059 17.050 -20.155 1.00 0.00 C ATOM 763 C CYS A 50 10.380 17.075 -20.925 1.00 0.00 C ATOM 764 O CYS A 50 10.899 16.025 -21.298 1.00 0.00 O ATOM 765 CB CYS A 50 7.879 17.537 -20.989 1.00 0.00 C ATOM 766 SG CYS A 50 7.846 16.694 -22.589 1.00 0.00 S ATOM 0 H CYS A 50 8.846 18.807 -19.025 1.00 0.00 H new ATOM 0 HA CYS A 50 8.867 16.007 -19.901 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.947 17.353 -20.454 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.952 18.614 -21.140 1.00 0.00 H new ATOM 0 HG CYS A 50 6.833 17.121 -23.283 1.00 0.00 H new ATOM 772 N GLY A 51 10.928 18.271 -21.168 1.00 0.00 N ATOM 773 CA GLY A 51 12.185 18.444 -21.886 1.00 0.00 C ATOM 774 C GLY A 51 12.026 18.338 -23.406 1.00 0.00 C ATOM 775 O GLY A 51 13.019 18.377 -24.129 1.00 0.00 O ATOM 0 H GLY A 51 10.505 19.149 -20.868 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.608 19.417 -21.638 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.897 17.691 -21.547 1.00 0.00 H new ATOM 779 N GLN A 52 10.786 18.218 -23.890 1.00 0.00 N ATOM 780 CA GLN A 52 10.442 18.125 -25.304 1.00 0.00 C ATOM 781 C GLN A 52 9.305 19.124 -25.534 1.00 0.00 C ATOM 782 O GLN A 52 8.182 18.713 -25.833 1.00 0.00 O ATOM 783 CB GLN A 52 10.071 16.670 -25.636 1.00 0.00 C ATOM 784 CG GLN A 52 9.999 16.424 -27.149 1.00 0.00 C ATOM 785 CD GLN A 52 11.360 16.526 -27.833 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.595 17.446 -28.611 1.00 0.00 O ATOM 787 NE2 GLN A 52 12.261 15.588 -27.545 1.00 0.00 N ATOM 0 H GLN A 52 9.968 18.182 -23.282 1.00 0.00 H new ATOM 0 HA GLN A 52 11.267 18.378 -25.970 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.808 15.999 -25.195 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.109 16.429 -25.184 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.580 15.435 -27.332 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.318 17.147 -27.598 1.00 0.00 H new ATOM 0 HE21 GLN A 52 12.027 14.839 -26.893 1.00 0.00 H new ATOM 0 HE22 GLN A 52 13.185 15.619 -27.976 1.00 0.00 H new ATOM 796 N PRO A 53 9.565 20.439 -25.383 1.00 0.00 N ATOM 797 CA PRO A 53 8.543 21.454 -25.552 1.00 0.00 C ATOM 798 C PRO A 53 7.803 21.350 -26.874 1.00 0.00 C ATOM 799 O PRO A 53 6.583 21.302 -26.883 1.00 0.00 O ATOM 800 CB PRO A 53 9.246 22.812 -25.432 1.00 0.00 C ATOM 801 CG PRO A 53 10.727 22.493 -25.616 1.00 0.00 C ATOM 802 CD PRO A 53 10.826 21.088 -25.031 1.00 0.00 C ATOM 0 HA PRO A 53 7.778 21.322 -24.787 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.893 23.510 -26.191 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.057 23.273 -24.462 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.022 22.520 -26.665 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.365 23.201 -25.087 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.677 20.547 -25.446 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.965 21.120 -23.950 1.00 0.00 H new ATOM 810 N GLN A 54 8.548 21.340 -27.977 1.00 0.00 N ATOM 811 CA GLN A 54 8.015 21.322 -29.334 1.00 0.00 C ATOM 812 C GLN A 54 7.012 20.197 -29.571 1.00 0.00 C ATOM 813 O GLN A 54 5.997 20.420 -30.232 1.00 0.00 O ATOM 814 CB GLN A 54 9.160 21.303 -30.361 1.00 0.00 C ATOM 815 CG GLN A 54 10.168 22.464 -30.219 1.00 0.00 C ATOM 816 CD GLN A 54 11.123 22.532 -31.412 1.00 0.00 C ATOM 817 OE1 GLN A 54 11.338 21.541 -32.104 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.701 23.707 -31.662 1.00 0.00 N ATOM 0 H GLN A 54 9.568 21.344 -27.949 1.00 0.00 H new ATOM 0 HA GLN A 54 7.449 22.244 -29.469 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.697 20.359 -30.270 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.732 21.331 -31.363 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.628 23.407 -30.131 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.741 22.338 -29.300 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.500 24.511 -31.067 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.344 23.802 -32.448 1.00 0.00 H new ATOM 827 N GLN A 55 7.263 18.999 -29.032 1.00 0.00 N ATOM 828 CA GLN A 55 6.314 17.903 -29.192 1.00 0.00 C ATOM 829 C GLN A 55 5.007 18.303 -28.524 1.00 0.00 C ATOM 830 O GLN A 55 3.934 18.194 -29.116 1.00 0.00 O ATOM 831 CB GLN A 55 6.864 16.582 -28.629 1.00 0.00 C ATOM 832 CG GLN A 55 5.891 15.406 -28.805 1.00 0.00 C ATOM 833 CD GLN A 55 5.614 15.099 -30.274 1.00 0.00 C ATOM 834 OE1 GLN A 55 4.537 15.395 -30.784 1.00 0.00 O ATOM 835 NE2 GLN A 55 6.587 14.504 -30.963 1.00 0.00 N ATOM 0 H GLN A 55 8.098 18.770 -28.493 1.00 0.00 H new ATOM 0 HA GLN A 55 6.141 17.723 -30.253 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.805 16.345 -29.125 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.085 16.709 -27.569 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.304 14.520 -28.323 1.00 0.00 H new ATOM 0 HG3 GLN A 55 4.952 15.635 -28.301 1.00 0.00 H new ATOM 0 HE21 GLN A 55 7.469 14.273 -30.505 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.450 14.279 -31.948 1.00 0.00 H new ATOM 844 N LEU A 56 5.112 18.786 -27.286 1.00 0.00 N ATOM 845 CA LEU A 56 3.947 19.215 -26.547 1.00 0.00 C ATOM 846 C LEU A 56 3.261 20.391 -27.251 1.00 0.00 C ATOM 847 O LEU A 56 2.040 20.449 -27.284 1.00 0.00 O ATOM 848 CB LEU A 56 4.284 19.511 -25.075 1.00 0.00 C ATOM 849 CG LEU A 56 3.033 19.769 -24.215 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.170 18.505 -24.007 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.489 20.351 -22.875 1.00 0.00 C ATOM 0 H LEU A 56 5.994 18.886 -26.783 1.00 0.00 H new ATOM 0 HA LEU A 56 3.231 18.394 -26.529 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.838 18.670 -24.658 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.939 20.381 -25.025 1.00 0.00 H new ATOM 0 HG LEU A 56 2.390 20.475 -24.741 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.304 18.753 -23.393 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.834 18.131 -24.974 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.762 17.739 -23.507 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.619 20.543 -22.247 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.148 19.641 -22.375 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.025 21.284 -23.047 1.00 0.00 H new ATOM 863 N LEU A 57 4.006 21.333 -27.833 1.00 0.00 N ATOM 864 CA LEU A 57 3.381 22.462 -28.515 1.00 0.00 C ATOM 865 C LEU A 57 2.533 21.981 -29.693 1.00 0.00 C ATOM 866 O LEU A 57 1.431 22.488 -29.904 1.00 0.00 O ATOM 867 CB LEU A 57 4.403 23.533 -28.934 1.00 0.00 C ATOM 868 CG LEU A 57 5.220 24.193 -27.800 1.00 0.00 C ATOM 869 CD1 LEU A 57 6.090 25.301 -28.405 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.373 24.696 -26.619 1.00 0.00 C ATOM 0 H LEU A 57 5.026 21.336 -27.845 1.00 0.00 H new ATOM 0 HA LEU A 57 2.715 22.948 -27.802 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.101 23.080 -29.638 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.872 24.318 -29.472 1.00 0.00 H new ATOM 0 HG LEU A 57 5.852 23.424 -27.355 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.673 25.777 -27.617 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.764 24.871 -29.146 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.452 26.044 -28.883 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.024 25.145 -25.869 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.661 25.441 -26.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.833 23.859 -26.176 1.00 0.00 H new ATOM 882 N GLN A 58 3.014 20.985 -30.442 1.00 0.00 N ATOM 883 CA GLN A 58 2.250 20.429 -31.549 1.00 0.00 C ATOM 884 C GLN A 58 0.993 19.756 -30.994 1.00 0.00 C ATOM 885 O GLN A 58 -0.089 19.874 -31.571 1.00 0.00 O ATOM 886 CB GLN A 58 3.122 19.445 -32.338 1.00 0.00 C ATOM 887 CG GLN A 58 4.209 20.187 -33.126 1.00 0.00 C ATOM 888 CD GLN A 58 5.295 19.232 -33.609 1.00 0.00 C ATOM 889 OE1 GLN A 58 5.253 18.750 -34.737 1.00 0.00 O ATOM 890 NE2 GLN A 58 6.277 18.959 -32.751 1.00 0.00 N ATOM 0 H GLN A 58 3.926 20.552 -30.298 1.00 0.00 H new ATOM 0 HA GLN A 58 1.943 21.218 -32.236 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.585 18.734 -31.654 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.499 18.870 -33.023 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.760 20.692 -33.981 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.654 20.958 -32.497 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.275 19.381 -31.822 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.031 18.328 -33.023 1.00 0.00 H new ATOM 899 N VAL A 59 1.137 19.058 -29.864 1.00 0.00 N ATOM 900 CA VAL A 59 0.041 18.365 -29.200 1.00 0.00 C ATOM 901 C VAL A 59 -1.006 19.341 -28.655 1.00 0.00 C ATOM 902 O VAL A 59 -2.198 19.042 -28.670 1.00 0.00 O ATOM 903 CB VAL A 59 0.580 17.352 -28.173 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.405 17.686 -26.684 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.046 16.004 -28.405 1.00 0.00 C ATOM 0 H VAL A 59 2.031 18.960 -29.383 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.503 17.774 -29.937 1.00 0.00 H new ATOM 0 HB VAL A 59 1.655 17.377 -28.354 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.831 16.885 -26.079 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.916 18.622 -26.459 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.656 17.788 -26.456 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.340 15.293 -27.675 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.128 16.082 -28.298 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.195 15.659 -29.410 1.00 0.00 H new ATOM 915 N LEU A 60 -0.568 20.521 -28.210 1.00 0.00 N ATOM 916 CA LEU A 60 -1.445 21.557 -27.679 1.00 0.00 C ATOM 917 C LEU A 60 -2.117 22.301 -28.830 1.00 0.00 C ATOM 918 O LEU A 60 -3.244 22.755 -28.663 1.00 0.00 O ATOM 919 CB LEU A 60 -0.612 22.594 -26.899 1.00 0.00 C ATOM 920 CG LEU A 60 -0.376 22.381 -25.393 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.462 23.067 -24.550 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.336 20.923 -24.934 1.00 0.00 C ATOM 0 H LEU A 60 0.418 20.783 -28.210 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.185 21.084 -27.033 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.364 22.660 -27.379 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.094 23.564 -27.023 1.00 0.00 H new ATOM 0 HG LEU A 60 0.611 22.817 -25.240 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.264 22.896 -23.492 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.457 24.138 -24.752 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.437 22.654 -24.808 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.165 20.885 -23.858 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.286 20.442 -25.168 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.471 20.402 -25.449 1.00 0.00 H new ATOM 934 N GLN A 61 -1.455 22.441 -29.983 1.00 0.00 N ATOM 935 CA GLN A 61 -2.030 23.166 -31.111 1.00 0.00 C ATOM 936 C GLN A 61 -3.105 22.344 -31.825 1.00 0.00 C ATOM 937 O GLN A 61 -3.997 22.913 -32.451 1.00 0.00 O ATOM 938 CB GLN A 61 -0.908 23.599 -32.080 1.00 0.00 C ATOM 939 CG GLN A 61 -1.402 24.203 -33.409 1.00 0.00 C ATOM 940 CD GLN A 61 -0.275 24.855 -34.209 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.903 24.659 -33.924 1.00 0.00 O ATOM 942 NE2 GLN A 61 -0.635 25.635 -35.227 1.00 0.00 N ATOM 0 H GLN A 61 -0.524 22.062 -30.155 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.525 24.059 -30.731 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.275 24.330 -31.577 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.283 22.734 -32.300 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.865 23.421 -34.010 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.173 24.945 -33.203 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.623 25.776 -35.436 1.00 0.00 H new ATOM 0 HE22 GLN A 61 0.078 26.091 -35.797 1.00 0.00 H new ATOM 951 N GLN A 62 -3.006 21.012 -31.752 1.00 0.00 N ATOM 952 CA GLN A 62 -3.908 20.092 -32.429 1.00 0.00 C ATOM 953 C GLN A 62 -5.065 19.616 -31.553 1.00 0.00 C ATOM 954 O GLN A 62 -6.101 19.227 -32.088 1.00 0.00 O ATOM 955 CB GLN A 62 -3.089 18.927 -32.998 1.00 0.00 C ATOM 956 CG GLN A 62 -2.842 17.808 -31.980 1.00 0.00 C ATOM 957 CD GLN A 62 -1.820 16.796 -32.485 1.00 0.00 C ATOM 958 OE1 GLN A 62 -2.140 15.628 -32.683 1.00 0.00 O ATOM 959 NE2 GLN A 62 -0.581 17.241 -32.691 1.00 0.00 N ATOM 0 H GLN A 62 -2.282 20.541 -31.210 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.392 20.629 -33.245 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.609 18.514 -33.863 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.130 19.305 -33.353 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -2.492 18.241 -31.043 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.781 17.299 -31.765 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -0.355 18.220 -32.515 1.00 0.00 H new ATOM 0 HE22 GLN A 62 0.141 16.603 -33.025 1.00 0.00 H new ATOM 968 N THR A 63 -4.907 19.637 -30.223 1.00 0.00 N ATOM 969 CA THR A 63 -5.964 19.174 -29.333 1.00 0.00 C ATOM 970 C THR A 63 -7.040 20.248 -29.170 1.00 0.00 C ATOM 971 O THR A 63 -8.220 19.917 -29.064 1.00 0.00 O ATOM 972 CB THR A 63 -5.388 18.609 -28.030 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.403 17.915 -27.329 1.00 0.00 O ATOM 974 CG2 THR A 63 -4.743 19.651 -27.121 1.00 0.00 C ATOM 0 H THR A 63 -4.066 19.967 -29.750 1.00 0.00 H new ATOM 0 HA THR A 63 -6.481 18.327 -29.783 1.00 0.00 H new ATOM 0 HB THR A 63 -4.582 17.934 -28.319 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.426 18.221 -26.398 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.362 19.165 -26.223 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.921 20.134 -27.648 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.485 20.399 -26.842 1.00 0.00 H new ATOM 982 N LEU A 64 -6.645 21.526 -29.197 1.00 0.00 N ATOM 983 CA LEU A 64 -7.567 22.662 -29.126 1.00 0.00 C ATOM 984 C LEU A 64 -6.813 23.952 -29.456 1.00 0.00 C ATOM 985 O LEU A 64 -5.635 24.032 -29.128 1.00 0.00 O ATOM 986 CB LEU A 64 -8.307 22.752 -27.769 1.00 0.00 C ATOM 987 CG LEU A 64 -7.590 23.504 -26.631 1.00 0.00 C ATOM 988 CD1 LEU A 64 -8.571 23.702 -25.468 1.00 0.00 C ATOM 989 CD2 LEU A 64 -6.368 22.742 -26.113 1.00 0.00 C ATOM 0 H LEU A 64 -5.666 21.802 -29.270 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.349 22.509 -29.870 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.270 23.233 -27.939 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.514 21.738 -27.428 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.249 24.459 -27.030 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.072 24.234 -24.658 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.428 24.283 -25.810 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.911 22.730 -25.109 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.896 23.312 -25.312 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.680 21.770 -25.731 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.656 22.601 -26.926 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.439 24.967 -30.080 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.778 26.231 -30.391 1.00 0.00 C ATOM 1003 C PRO A 65 -6.414 26.916 -29.063 1.00 0.00 C ATOM 1004 O PRO A 65 -7.322 27.295 -28.326 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.797 27.036 -31.206 1.00 0.00 C ATOM 1006 CG PRO A 65 -9.148 26.459 -30.785 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.826 24.990 -30.514 1.00 0.00 C ATOM 0 HA PRO A 65 -5.856 26.121 -30.962 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.732 28.101 -30.985 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.631 26.922 -32.277 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.540 26.956 -29.898 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.896 26.570 -31.570 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.483 24.580 -29.747 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -8.966 24.386 -31.411 1.00 0.00 H new ATOM 1015 N PRO A 66 -5.122 27.056 -28.714 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.692 27.619 -27.445 1.00 0.00 C ATOM 1017 C PRO A 66 -4.357 29.120 -27.519 1.00 0.00 C ATOM 1018 O PRO A 66 -3.303 29.483 -28.039 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.460 26.776 -27.113 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.801 26.533 -28.475 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.956 26.624 -29.476 1.00 0.00 C ATOM 0 HA PRO A 66 -5.475 27.580 -26.687 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.789 27.300 -26.432 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.736 25.839 -26.630 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.034 27.278 -28.684 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.317 25.557 -28.514 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.727 27.333 -30.272 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.137 25.660 -29.951 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.202 30.024 -26.987 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.906 31.451 -26.977 1.00 0.00 C ATOM 1031 C PRO A 67 -3.825 31.741 -25.925 1.00 0.00 C ATOM 1032 O PRO A 67 -2.960 32.589 -26.127 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.231 32.135 -26.637 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.951 31.105 -25.766 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.480 29.765 -26.337 1.00 0.00 C ATOM 0 HA PRO A 67 -4.519 31.814 -27.929 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.074 33.072 -26.103 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.803 32.371 -27.534 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.683 31.210 -24.715 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.034 31.211 -25.831 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.371 29.022 -25.547 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.205 29.369 -27.048 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.879 31.015 -24.801 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.946 31.115 -23.686 1.00 0.00 C ATOM 1045 C VAL A 68 -1.528 30.879 -24.180 1.00 0.00 C ATOM 1046 O VAL A 68 -0.633 31.649 -23.858 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.322 30.129 -22.573 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -2.161 29.993 -21.584 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.579 30.653 -21.871 1.00 0.00 C ATOM 0 H VAL A 68 -4.605 30.316 -24.643 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.001 32.119 -23.264 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.523 29.142 -22.990 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.435 29.291 -20.796 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.278 29.625 -22.107 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.942 30.966 -21.144 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.864 29.966 -21.075 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.376 31.636 -21.446 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.393 30.731 -22.592 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.338 29.823 -24.972 1.00 0.00 N ATOM 1060 CA PHE A 69 -0.059 29.485 -25.589 1.00 0.00 C ATOM 1061 C PHE A 69 0.569 30.736 -26.207 1.00 0.00 C ATOM 1062 O PHE A 69 1.749 31.001 -26.004 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.298 28.403 -26.643 1.00 0.00 C ATOM 1064 CG PHE A 69 0.766 28.292 -27.710 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.031 27.777 -27.389 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.489 28.711 -29.024 1.00 0.00 C ATOM 1067 CE1 PHE A 69 3.015 27.681 -28.384 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.475 28.613 -30.019 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.741 28.096 -29.698 1.00 0.00 C ATOM 0 H PHE A 69 -2.084 29.168 -25.206 1.00 0.00 H new ATOM 0 HA PHE A 69 0.636 29.104 -24.840 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.384 27.441 -26.138 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.255 28.596 -27.127 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.246 27.456 -26.380 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.485 29.109 -29.268 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.990 27.286 -28.138 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.261 28.934 -31.028 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.502 28.018 -30.460 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.232 31.511 -26.939 1.00 0.00 N ATOM 1080 CA GLN A 70 0.214 32.742 -27.585 1.00 0.00 C ATOM 1081 C GLN A 70 0.745 33.746 -26.557 1.00 0.00 C ATOM 1082 O GLN A 70 1.704 34.469 -26.817 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.926 33.350 -28.420 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.475 33.598 -29.863 1.00 0.00 C ATOM 1085 CD GLN A 70 -0.196 32.294 -30.609 1.00 0.00 C ATOM 1086 OE1 GLN A 70 0.900 32.087 -31.120 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -1.185 31.402 -30.672 1.00 0.00 N ATOM 0 H GLN A 70 -1.216 31.299 -27.100 1.00 0.00 H new ATOM 0 HA GLN A 70 1.037 32.498 -28.256 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.785 32.679 -28.414 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.251 34.288 -27.970 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -1.245 34.160 -30.392 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.424 34.214 -29.861 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.084 31.606 -30.236 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -1.042 30.516 -31.156 1.00 0.00 H new ATOM 1096 N MET A 71 0.124 33.773 -25.377 1.00 0.00 N ATOM 1097 CA MET A 71 0.507 34.625 -24.269 1.00 0.00 C ATOM 1098 C MET A 71 1.763 34.043 -23.625 1.00 0.00 C ATOM 1099 O MET A 71 2.619 34.798 -23.184 1.00 0.00 O ATOM 1100 CB MET A 71 -0.646 34.828 -23.275 1.00 0.00 C ATOM 1101 CG MET A 71 -1.941 35.304 -23.959 1.00 0.00 C ATOM 1102 SD MET A 71 -2.884 36.545 -23.034 1.00 0.00 S ATOM 1103 CE MET A 71 -3.307 35.584 -21.566 1.00 0.00 C ATOM 0 H MET A 71 -0.681 33.183 -25.168 1.00 0.00 H new ATOM 0 HA MET A 71 0.737 35.626 -24.633 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.839 33.891 -22.752 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.348 35.558 -22.522 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.688 35.716 -24.936 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.581 34.439 -24.134 1.00 0.00 H new ATOM 0 HE1 MET A 71 -3.937 36.183 -20.908 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.844 34.683 -21.863 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.395 35.305 -21.039 1.00 0.00 H new ATOM 1113 N LEU A 72 1.920 32.713 -23.601 1.00 0.00 N ATOM 1114 CA LEU A 72 3.124 32.083 -23.089 1.00 0.00 C ATOM 1115 C LEU A 72 4.281 32.585 -23.956 1.00 0.00 C ATOM 1116 O LEU A 72 5.338 32.960 -23.450 1.00 0.00 O ATOM 1117 CB LEU A 72 2.953 30.548 -23.022 1.00 0.00 C ATOM 1118 CG LEU A 72 4.201 29.719 -23.343 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.270 29.826 -22.248 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.811 28.244 -23.475 1.00 0.00 C ATOM 0 H LEU A 72 1.216 32.055 -23.936 1.00 0.00 H new ATOM 0 HA LEU A 72 3.341 32.356 -22.056 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.613 30.283 -22.021 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.162 30.260 -23.714 1.00 0.00 H new ATOM 0 HG LEU A 72 4.614 30.110 -24.273 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.134 29.221 -22.523 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.576 30.866 -22.138 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.861 29.467 -21.304 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.697 27.652 -23.703 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.375 27.898 -22.538 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.082 28.131 -24.278 1.00 0.00 H new ATOM 1132 N LEU A 73 4.052 32.624 -25.270 1.00 0.00 N ATOM 1133 CA LEU A 73 5.056 33.091 -26.218 1.00 0.00 C ATOM 1134 C LEU A 73 5.368 34.572 -26.097 1.00 0.00 C ATOM 1135 O LEU A 73 6.437 34.997 -26.527 1.00 0.00 O ATOM 1136 CB LEU A 73 4.638 32.876 -27.670 1.00 0.00 C ATOM 1137 CG LEU A 73 4.254 31.468 -28.122 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.030 31.616 -29.620 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.297 30.404 -27.771 1.00 0.00 C ATOM 0 H LEU A 73 3.173 32.335 -25.700 1.00 0.00 H new ATOM 0 HA LEU A 73 5.932 32.496 -25.962 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.789 33.530 -27.870 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.458 33.214 -28.304 1.00 0.00 H new ATOM 0 HG LEU A 73 3.367 31.103 -27.604 1.00 0.00 H new ATOM 0 HD11 LEU A 73 3.748 30.652 -30.043 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.233 32.338 -29.799 1.00 0.00 H new ATOM 0 HD13 LEU A 73 4.948 31.964 -30.093 1.00 0.00 H new ATOM 0 HD21 LEU A 73 4.956 29.430 -28.123 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.244 30.651 -28.250 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.434 30.372 -26.690 1.00 0.00 H new ATOM 1151 N THR A 74 4.442 35.348 -25.540 1.00 0.00 N ATOM 1152 CA THR A 74 4.618 36.780 -25.370 1.00 0.00 C ATOM 1153 C THR A 74 5.229 37.054 -23.999 1.00 0.00 C ATOM 1154 O THR A 74 5.866 38.086 -23.806 1.00 0.00 O ATOM 1155 CB THR A 74 3.354 37.574 -25.733 1.00 0.00 C ATOM 1156 OG1 THR A 74 3.700 38.798 -26.347 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.505 37.912 -24.518 1.00 0.00 C ATOM 0 H THR A 74 3.549 34.997 -25.195 1.00 0.00 H new ATOM 0 HA THR A 74 5.338 37.163 -26.093 1.00 0.00 H new ATOM 0 HB THR A 74 2.784 36.933 -26.406 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.885 39.292 -26.574 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.625 38.473 -24.833 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.191 36.991 -24.026 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.089 38.514 -23.822 1.00 0.00 H new ATOM 1165 N LYS A 75 5.055 36.123 -23.051 1.00 0.00 N ATOM 1166 CA LYS A 75 5.620 36.271 -21.722 1.00 0.00 C ATOM 1167 C LYS A 75 7.131 36.030 -21.754 1.00 0.00 C ATOM 1168 O LYS A 75 7.881 36.726 -21.074 1.00 0.00 O ATOM 1169 CB LYS A 75 4.936 35.273 -20.773 1.00 0.00 C ATOM 1170 CG LYS A 75 4.503 35.868 -19.440 1.00 0.00 C ATOM 1171 CD LYS A 75 3.324 36.852 -19.453 1.00 0.00 C ATOM 1172 CE LYS A 75 1.995 36.212 -19.865 1.00 0.00 C ATOM 1173 NZ LYS A 75 0.888 37.176 -19.737 1.00 0.00 N ATOM 0 H LYS A 75 4.526 35.262 -23.190 1.00 0.00 H new ATOM 0 HA LYS A 75 5.449 37.287 -21.365 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.061 34.857 -21.272 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.619 34.445 -20.583 1.00 0.00 H new ATOM 0 HG2 LYS A 75 4.248 35.046 -18.772 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.362 36.378 -19.004 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.215 37.288 -18.460 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.551 37.669 -20.137 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.059 35.860 -20.895 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.798 35.340 -19.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.015 36.663 -19.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.016 37.739 -18.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.881 37.808 -20.563 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.359 14.298 -25.591 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.186 13.818 -26.301 1.00 0.00 C ATOM 1590 C LEU B 7 -3.326 12.937 -25.412 1.00 0.00 C ATOM 1591 O LEU B 7 -2.776 11.969 -25.909 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.412 14.975 -26.968 1.00 0.00 C ATOM 1593 CG LEU B 7 -2.761 16.115 -26.146 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -3.665 16.897 -25.204 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -1.514 15.697 -25.363 1.00 0.00 C ATOM 0 HA LEU B 7 -4.518 13.180 -27.120 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.616 14.520 -27.558 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.099 15.448 -27.670 1.00 0.00 H new ATOM 0 HG LEU B 7 -2.490 16.787 -26.960 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -3.082 17.663 -24.692 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -4.464 17.370 -25.775 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -4.098 16.219 -24.468 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -1.123 16.555 -24.816 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -1.774 14.906 -24.659 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -0.755 15.331 -26.055 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.206 13.245 -24.118 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.350 12.500 -23.206 1.00 0.00 C ATOM 1609 C LEU B 8 -2.753 11.031 -23.064 1.00 0.00 C ATOM 1610 O LEU B 8 -1.952 10.231 -22.588 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.149 13.212 -21.865 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.397 14.570 -21.849 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.046 14.604 -22.589 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.311 15.755 -22.182 1.00 0.00 C ATOM 0 H LEU B 8 -3.702 14.020 -23.678 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.366 12.478 -23.673 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.133 13.374 -21.426 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.613 12.529 -21.205 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.097 14.687 -20.808 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.387 15.601 -22.511 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.633 13.878 -22.141 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.200 14.357 -23.639 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.733 16.679 -22.156 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.735 15.619 -23.177 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.116 15.810 -21.449 1.00 0.00 H new