USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 517 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 GLN : amide:sc= 0.929 K(o=2.2,f=-3!) USER MOD Set 1.2: A 61 GLN : amide:sc= 0.546 K(o=2.2,f=-4.4!) USER MOD Set 1.3: A 62 GLN : amide:sc= 0.702 K(o=2.2,f=0.61) USER MOD Set 2.1: A 38 LYS NZ :NH3+ -161:sc= 2.55 (180deg=1.19) USER MOD Set 2.2: A 42 HIS : no HE2:sc= 0.854 K(o=3.4,f=-7.3!) USER MOD Single : A 17 GLN : amide:sc= -0.159 X(o=-0.16,f=0.2) USER MOD Single : A 18 LYS NZ :NH3+ 154:sc= 0.811 (180deg=-0.618) 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 44 THR OG1 : rot 74:sc= 1.2 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= 0.0828 USER MOD Single : A 52 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.21) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 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= 0.586 K(o=0.59,f=-0.094) USER MOD Single : A 71 MET CE :methyl 180:sc= -0.622 (180deg=-0.622) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.274 7.110 -14.919 1.00 0.00 N ATOM 205 CA GLU A 14 4.885 7.221 -14.495 1.00 0.00 C ATOM 206 C GLU A 14 4.744 8.349 -13.470 1.00 0.00 C ATOM 207 O GLU A 14 3.799 9.129 -13.511 1.00 0.00 O ATOM 208 CB GLU A 14 4.383 5.881 -13.924 1.00 0.00 C ATOM 209 CG GLU A 14 2.970 5.529 -14.413 1.00 0.00 C ATOM 210 CD GLU A 14 1.921 6.586 -14.069 1.00 0.00 C ATOM 211 OE1 GLU A 14 1.729 7.509 -14.890 1.00 0.00 O ATOM 212 OE2 GLU A 14 1.276 6.458 -13.004 1.00 0.00 O ATOM 0 HA GLU A 14 4.267 7.462 -15.360 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.072 5.086 -14.210 1.00 0.00 H new ATOM 0 HB3 GLU A 14 4.386 5.929 -12.835 1.00 0.00 H new ATOM 0 HG2 GLU A 14 2.993 5.391 -15.494 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.670 4.576 -13.976 1.00 0.00 H new ATOM 219 N ALA A 15 5.704 8.443 -12.547 1.00 0.00 N ATOM 220 CA ALA A 15 5.724 9.461 -11.502 1.00 0.00 C ATOM 221 C ALA A 15 5.856 10.854 -12.114 1.00 0.00 C ATOM 222 O ALA A 15 5.340 11.832 -11.573 1.00 0.00 O ATOM 223 CB ALA A 15 6.876 9.185 -10.532 1.00 0.00 C ATOM 0 H ALA A 15 6.498 7.804 -12.507 1.00 0.00 H new ATOM 0 HA ALA A 15 4.784 9.422 -10.951 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.887 9.948 -9.753 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.741 8.204 -10.077 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.821 9.207 -11.074 1.00 0.00 H new ATOM 229 N VAL A 16 6.545 10.926 -13.254 1.00 0.00 N ATOM 230 CA VAL A 16 6.759 12.161 -13.997 1.00 0.00 C ATOM 231 C VAL A 16 5.513 12.444 -14.826 1.00 0.00 C ATOM 232 O VAL A 16 5.134 13.604 -14.968 1.00 0.00 O ATOM 233 CB VAL A 16 8.052 12.082 -14.835 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.936 12.533 -16.291 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.219 12.756 -14.135 1.00 0.00 C ATOM 0 H VAL A 16 6.976 10.111 -13.691 1.00 0.00 H new ATOM 0 HA VAL A 16 6.908 13.000 -13.317 1.00 0.00 H new ATOM 0 HB VAL A 16 8.249 11.012 -14.905 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.905 12.434 -16.781 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.203 11.912 -16.807 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.617 13.575 -16.325 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.110 12.679 -14.757 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.984 13.807 -13.966 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.401 12.267 -13.178 1.00 0.00 H new ATOM 245 N GLN A 17 4.869 11.399 -15.363 1.00 0.00 N ATOM 246 CA GLN A 17 3.666 11.584 -16.164 1.00 0.00 C ATOM 247 C GLN A 17 2.558 12.120 -15.266 1.00 0.00 C ATOM 248 O GLN A 17 1.840 13.031 -15.666 1.00 0.00 O ATOM 249 CB GLN A 17 3.261 10.315 -16.937 1.00 0.00 C ATOM 250 CG GLN A 17 2.020 10.496 -17.831 1.00 0.00 C ATOM 251 CD GLN A 17 2.107 11.695 -18.776 1.00 0.00 C ATOM 252 OE1 GLN A 17 1.609 12.773 -18.464 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.724 11.533 -19.944 1.00 0.00 N ATOM 0 H GLN A 17 5.163 10.428 -15.255 1.00 0.00 H new ATOM 0 HA GLN A 17 3.868 12.318 -16.944 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.099 9.996 -17.557 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.069 9.513 -16.224 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.874 9.591 -18.421 1.00 0.00 H new ATOM 0 HG3 GLN A 17 1.141 10.609 -17.197 1.00 0.00 H new ATOM 0 HE21 GLN A 17 3.131 10.629 -20.185 1.00 0.00 H new ATOM 0 HE22 GLN A 17 2.790 12.313 -20.599 1.00 0.00 H new ATOM 262 N LYS A 18 2.432 11.572 -14.050 1.00 0.00 N ATOM 263 CA LYS A 18 1.417 12.005 -13.099 1.00 0.00 C ATOM 264 C LYS A 18 1.493 13.516 -12.894 1.00 0.00 C ATOM 265 O LYS A 18 0.514 14.219 -13.127 1.00 0.00 O ATOM 266 CB LYS A 18 1.557 11.249 -11.769 1.00 0.00 C ATOM 267 CG LYS A 18 1.129 9.773 -11.821 1.00 0.00 C ATOM 268 CD LYS A 18 -0.385 9.524 -11.682 1.00 0.00 C ATOM 269 CE LYS A 18 -1.151 9.326 -13.000 1.00 0.00 C ATOM 270 NZ LYS A 18 -0.607 8.220 -13.811 1.00 0.00 N ATOM 0 H LYS A 18 3.030 10.821 -13.706 1.00 0.00 H new ATOM 0 HA LYS A 18 0.434 11.770 -13.507 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.596 11.301 -11.445 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.962 11.759 -11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 18 1.466 9.347 -12.766 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.644 9.234 -11.026 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.534 8.641 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.826 10.367 -11.150 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.200 9.129 -12.780 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.115 10.249 -13.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.356 7.837 -14.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.174 8.573 -14.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.255 7.469 -13.183 1.00 0.00 H new ATOM 284 N PHE A 19 2.657 14.008 -12.469 1.00 0.00 N ATOM 285 CA PHE A 19 2.854 15.430 -12.239 1.00 0.00 C ATOM 286 C PHE A 19 2.758 16.256 -13.533 1.00 0.00 C ATOM 287 O PHE A 19 2.121 17.307 -13.544 1.00 0.00 O ATOM 288 CB PHE A 19 4.187 15.684 -11.526 1.00 0.00 C ATOM 289 CG PHE A 19 4.641 17.114 -11.738 1.00 0.00 C ATOM 290 CD1 PHE A 19 4.146 18.165 -10.945 1.00 0.00 C ATOM 291 CD2 PHE A 19 5.543 17.388 -12.777 1.00 0.00 C ATOM 292 CE1 PHE A 19 4.564 19.487 -11.188 1.00 0.00 C ATOM 293 CE2 PHE A 19 5.948 18.706 -13.018 1.00 0.00 C ATOM 294 CZ PHE A 19 5.467 19.753 -12.233 1.00 0.00 C ATOM 0 H PHE A 19 3.479 13.435 -12.278 1.00 0.00 H new ATOM 0 HA PHE A 19 2.042 15.763 -11.593 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.079 15.485 -10.460 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.944 14.997 -11.903 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.445 17.958 -10.150 1.00 0.00 H new ATOM 0 HD2 PHE A 19 5.924 16.584 -13.389 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.193 20.294 -10.574 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.640 18.914 -13.820 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.787 20.766 -12.427 1.00 0.00 H new ATOM 304 N PHE A 20 3.405 15.813 -14.616 1.00 0.00 N ATOM 305 CA PHE A 20 3.404 16.543 -15.888 1.00 0.00 C ATOM 306 C PHE A 20 1.948 16.851 -16.267 1.00 0.00 C ATOM 307 O PHE A 20 1.594 18.001 -16.532 1.00 0.00 O ATOM 308 CB PHE A 20 4.146 15.726 -16.956 1.00 0.00 C ATOM 309 CG PHE A 20 4.125 16.227 -18.385 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.406 17.573 -18.672 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.841 15.334 -19.436 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.407 18.026 -20.001 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.844 15.787 -20.764 1.00 0.00 C ATOM 314 CZ PHE A 20 4.129 17.130 -21.047 1.00 0.00 C ATOM 0 H PHE A 20 3.940 14.945 -14.636 1.00 0.00 H new ATOM 0 HA PHE A 20 3.935 17.491 -15.802 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.188 15.644 -16.648 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.732 14.718 -16.951 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.622 18.261 -17.868 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.621 14.299 -19.220 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.621 19.062 -20.219 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.627 15.100 -21.569 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.135 17.476 -22.070 1.00 0.00 H new ATOM 324 N LEU A 21 1.098 15.816 -16.237 1.00 0.00 N ATOM 325 CA LEU A 21 -0.327 15.946 -16.496 1.00 0.00 C ATOM 326 C LEU A 21 -0.991 16.799 -15.424 1.00 0.00 C ATOM 327 O LEU A 21 -1.823 17.632 -15.763 1.00 0.00 O ATOM 328 CB LEU A 21 -1.002 14.560 -16.551 1.00 0.00 C ATOM 329 CG LEU A 21 -1.424 14.065 -17.943 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.815 12.586 -17.814 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.602 14.921 -18.417 1.00 0.00 C ATOM 0 H LEU A 21 1.390 14.861 -16.030 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.448 16.434 -17.463 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.318 13.829 -16.120 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.886 14.584 -15.914 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.620 14.153 -18.673 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.120 12.204 -18.788 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.961 12.014 -17.452 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.642 12.488 -17.111 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.920 14.588 -19.405 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.431 14.820 -17.716 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.295 15.966 -18.468 1.00 0.00 H new ATOM 343 N GLU A 22 -0.633 16.614 -14.149 1.00 0.00 N ATOM 344 CA GLU A 22 -1.190 17.410 -13.059 1.00 0.00 C ATOM 345 C GLU A 22 -1.045 18.900 -13.381 1.00 0.00 C ATOM 346 O GLU A 22 -1.946 19.672 -13.072 1.00 0.00 O ATOM 347 CB GLU A 22 -0.515 17.068 -11.716 1.00 0.00 C ATOM 348 CG GLU A 22 -1.153 17.758 -10.503 1.00 0.00 C ATOM 349 CD GLU A 22 -0.532 17.282 -9.188 1.00 0.00 C ATOM 350 OE1 GLU A 22 0.698 17.054 -9.158 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.297 17.166 -8.205 1.00 0.00 O ATOM 0 H GLU A 22 0.045 15.914 -13.849 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.249 17.171 -12.960 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.551 15.989 -11.568 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.537 17.348 -11.768 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.031 18.837 -10.593 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.224 17.558 -10.493 1.00 0.00 H new ATOM 358 N GLU A 23 0.071 19.300 -14.009 1.00 0.00 N ATOM 359 CA GLU A 23 0.346 20.683 -14.356 1.00 0.00 C ATOM 360 C GLU A 23 -0.428 21.091 -15.609 1.00 0.00 C ATOM 361 O GLU A 23 -1.054 22.147 -15.618 1.00 0.00 O ATOM 362 CB GLU A 23 1.854 20.957 -14.433 1.00 0.00 C ATOM 363 CG GLU A 23 2.153 22.273 -13.694 1.00 0.00 C ATOM 364 CD GLU A 23 2.263 22.147 -12.178 1.00 0.00 C ATOM 365 OE1 GLU A 23 1.768 21.144 -11.622 1.00 0.00 O ATOM 366 OE2 GLU A 23 2.834 23.097 -11.598 1.00 0.00 O ATOM 0 H GLU A 23 0.811 18.656 -14.289 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.018 21.326 -13.555 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.411 20.135 -13.983 1.00 0.00 H new ATOM 0 HB3 GLU A 23 2.173 21.026 -15.473 1.00 0.00 H new ATOM 0 HG2 GLU A 23 3.086 22.685 -14.078 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.367 22.991 -13.928 1.00 0.00 H new ATOM 373 N ILE A 24 -0.413 20.245 -16.650 1.00 0.00 N ATOM 374 CA ILE A 24 -1.176 20.476 -17.891 1.00 0.00 C ATOM 375 C ILE A 24 -2.645 20.769 -17.510 1.00 0.00 C ATOM 376 O ILE A 24 -3.252 21.732 -17.994 1.00 0.00 O ATOM 377 CB ILE A 24 -1.002 19.288 -18.910 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.024 19.533 -20.054 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.325 18.748 -19.481 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.261 18.703 -21.308 1.00 0.00 C ATOM 0 H ILE A 24 0.128 19.380 -16.658 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.787 21.345 -18.422 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.572 18.513 -18.275 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.019 20.591 -20.317 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.025 19.300 -19.692 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.116 17.933 -20.174 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.950 18.382 -18.667 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.847 19.547 -20.008 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.490 18.921 -22.067 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.227 17.643 -21.058 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.249 18.954 -21.693 1.00 0.00 H new ATOM 392 N GLN A 25 -3.206 19.936 -16.625 1.00 0.00 N ATOM 393 CA GLN A 25 -4.593 20.061 -16.191 1.00 0.00 C ATOM 394 C GLN A 25 -4.799 21.220 -15.225 1.00 0.00 C ATOM 395 O GLN A 25 -5.732 21.994 -15.408 1.00 0.00 O ATOM 396 CB GLN A 25 -5.118 18.735 -15.616 1.00 0.00 C ATOM 397 CG GLN A 25 -5.054 17.565 -16.615 1.00 0.00 C ATOM 398 CD GLN A 25 -6.151 16.543 -16.351 1.00 0.00 C ATOM 399 OE1 GLN A 25 -7.114 16.457 -17.108 1.00 0.00 O ATOM 400 NE2 GLN A 25 -6.013 15.764 -15.279 1.00 0.00 N ATOM 0 H GLN A 25 -2.707 19.158 -16.193 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.184 20.294 -17.077 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.538 18.478 -14.729 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.150 18.871 -15.294 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.149 17.948 -17.631 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.080 17.080 -16.547 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -5.198 15.867 -14.675 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -6.723 15.064 -15.062 1.00 0.00 H new ATOM 409 N LEU A 26 -3.938 21.349 -14.216 1.00 0.00 N ATOM 410 CA LEU A 26 -4.007 22.432 -13.230 1.00 0.00 C ATOM 411 C LEU A 26 -4.034 23.770 -13.972 1.00 0.00 C ATOM 412 O LEU A 26 -4.881 24.614 -13.684 1.00 0.00 O ATOM 413 CB LEU A 26 -2.853 22.293 -12.220 1.00 0.00 C ATOM 414 CG LEU A 26 -2.551 23.402 -11.208 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.160 24.747 -11.814 1.00 0.00 C ATOM 416 CD2 LEU A 26 -3.704 23.572 -10.239 1.00 0.00 C ATOM 0 H LEU A 26 -3.166 20.701 -14.057 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.922 22.379 -12.641 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.036 21.382 -11.650 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.942 22.131 -12.797 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.662 23.061 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.967 25.463 -11.016 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.261 24.626 -12.418 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.973 25.113 -12.441 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.469 24.365 -9.529 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.607 23.835 -10.790 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.867 22.639 -9.700 1.00 0.00 H new ATOM 428 N GLY A 27 -3.130 23.954 -14.940 1.00 0.00 N ATOM 429 CA GLY A 27 -3.072 25.162 -15.749 1.00 0.00 C ATOM 430 C GLY A 27 -4.384 25.330 -16.490 1.00 0.00 C ATOM 431 O GLY A 27 -5.097 26.288 -16.209 1.00 0.00 O ATOM 0 H GLY A 27 -2.419 23.263 -15.180 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.885 26.029 -15.116 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.246 25.100 -16.457 1.00 0.00 H new ATOM 435 N GLU A 28 -4.728 24.423 -17.415 1.00 0.00 N ATOM 436 CA GLU A 28 -5.993 24.566 -18.137 1.00 0.00 C ATOM 437 C GLU A 28 -7.210 24.817 -17.230 1.00 0.00 C ATOM 438 O GLU A 28 -8.119 25.546 -17.616 1.00 0.00 O ATOM 439 CB GLU A 28 -6.195 23.402 -19.105 1.00 0.00 C ATOM 440 CG GLU A 28 -5.161 23.487 -20.235 1.00 0.00 C ATOM 441 CD GLU A 28 -5.330 24.711 -21.130 1.00 0.00 C ATOM 442 OE1 GLU A 28 -6.453 24.883 -21.652 1.00 0.00 O ATOM 443 OE2 GLU A 28 -4.335 25.453 -21.275 1.00 0.00 O ATOM 0 H GLU A 28 -4.168 23.610 -17.673 1.00 0.00 H new ATOM 0 HA GLU A 28 -5.916 25.480 -18.726 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.094 22.454 -18.576 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.203 23.430 -19.518 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.161 23.501 -19.801 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.230 22.588 -20.847 1.00 0.00 H new ATOM 450 N GLU A 29 -7.215 24.251 -16.022 1.00 0.00 N ATOM 451 CA GLU A 29 -8.282 24.445 -15.043 1.00 0.00 C ATOM 452 C GLU A 29 -8.233 25.878 -14.498 1.00 0.00 C ATOM 453 O GLU A 29 -9.261 26.537 -14.391 1.00 0.00 O ATOM 454 CB GLU A 29 -8.191 23.395 -13.931 1.00 0.00 C ATOM 455 CG GLU A 29 -9.364 23.446 -12.948 1.00 0.00 C ATOM 456 CD GLU A 29 -10.673 23.034 -13.612 1.00 0.00 C ATOM 457 OE1 GLU A 29 -10.813 21.819 -13.873 1.00 0.00 O ATOM 458 OE2 GLU A 29 -11.503 23.934 -13.860 1.00 0.00 O ATOM 0 H GLU A 29 -6.469 23.638 -15.694 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.249 24.308 -15.527 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.147 22.403 -14.381 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.260 23.538 -13.382 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.161 22.787 -12.104 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.460 24.455 -12.548 1.00 0.00 H new ATOM 465 N LEU A 30 -7.047 26.400 -14.167 1.00 0.00 N ATOM 466 CA LEU A 30 -6.932 27.778 -13.701 1.00 0.00 C ATOM 467 C LEU A 30 -7.377 28.715 -14.823 1.00 0.00 C ATOM 468 O LEU A 30 -8.062 29.705 -14.571 1.00 0.00 O ATOM 469 CB LEU A 30 -5.497 28.101 -13.248 1.00 0.00 C ATOM 470 CG LEU A 30 -5.176 27.859 -11.760 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.709 28.230 -11.519 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.031 28.729 -10.824 1.00 0.00 C ATOM 0 H LEU A 30 -6.164 25.892 -14.214 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.575 27.917 -12.832 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.808 27.506 -13.847 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.295 29.148 -13.475 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.386 26.811 -11.544 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.460 28.066 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.069 27.609 -12.145 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.553 29.279 -11.769 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.765 28.519 -9.788 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.849 29.782 -11.039 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.086 28.503 -10.980 1.00 0.00 H new ATOM 484 N LEU A 31 -7.024 28.398 -16.070 1.00 0.00 N ATOM 485 CA LEU A 31 -7.443 29.188 -17.226 1.00 0.00 C ATOM 486 C LEU A 31 -8.949 29.065 -17.397 1.00 0.00 C ATOM 487 O LEU A 31 -9.597 30.019 -17.820 1.00 0.00 O ATOM 488 CB LEU A 31 -6.679 28.730 -18.453 1.00 0.00 C ATOM 489 CG LEU A 31 -5.206 29.162 -18.397 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.567 29.408 -17.024 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.430 28.082 -19.126 1.00 0.00 C ATOM 0 H LEU A 31 -6.444 27.592 -16.305 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.215 30.243 -17.077 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.737 27.645 -18.534 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.146 29.142 -19.348 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.169 30.154 -18.847 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.527 29.706 -17.155 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.109 30.200 -16.507 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.611 28.493 -16.433 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.369 28.331 -19.122 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.580 27.125 -18.626 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.782 28.013 -20.155 1.00 0.00 H new ATOM 503 N ALA A 32 -9.505 27.915 -17.003 1.00 0.00 N ATOM 504 CA ALA A 32 -10.947 27.711 -16.986 1.00 0.00 C ATOM 505 C ALA A 32 -11.604 28.757 -16.072 1.00 0.00 C ATOM 506 O ALA A 32 -12.782 29.066 -16.240 1.00 0.00 O ATOM 507 CB ALA A 32 -11.324 26.285 -16.561 1.00 0.00 C ATOM 0 H ALA A 32 -8.967 27.107 -16.690 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.321 27.839 -18.002 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.409 26.180 -16.563 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.889 25.570 -17.259 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.942 26.091 -15.559 1.00 0.00 H new ATOM 513 N GLN A 33 -10.833 29.318 -15.126 1.00 0.00 N ATOM 514 CA GLN A 33 -11.262 30.365 -14.214 1.00 0.00 C ATOM 515 C GLN A 33 -10.929 31.710 -14.867 1.00 0.00 C ATOM 516 O GLN A 33 -11.705 32.659 -14.783 1.00 0.00 O ATOM 517 CB GLN A 33 -10.580 30.173 -12.848 1.00 0.00 C ATOM 518 CG GLN A 33 -11.587 30.243 -11.698 1.00 0.00 C ATOM 519 CD GLN A 33 -12.165 31.645 -11.525 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.534 32.509 -10.924 1.00 0.00 O ATOM 521 NE2 GLN A 33 -13.371 31.879 -12.042 1.00 0.00 N ATOM 0 H GLN A 33 -9.863 29.038 -14.979 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.335 30.328 -14.027 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.071 29.209 -12.828 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.817 30.940 -12.711 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.397 29.538 -11.883 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.101 29.935 -10.772 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.867 31.137 -12.536 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -13.798 32.800 -11.944 1.00 0.00 H new ATOM 530 N GLY A 34 -9.775 31.755 -15.542 1.00 0.00 N ATOM 531 CA GLY A 34 -9.254 32.885 -16.297 1.00 0.00 C ATOM 532 C GLY A 34 -7.827 33.279 -15.921 1.00 0.00 C ATOM 533 O GLY A 34 -7.388 34.355 -16.324 1.00 0.00 O ATOM 0 H GLY A 34 -9.147 30.952 -15.574 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.285 32.644 -17.360 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.909 33.743 -16.145 1.00 0.00 H new ATOM 537 N ASP A 35 -7.093 32.455 -15.154 1.00 0.00 N ATOM 538 CA ASP A 35 -5.740 32.835 -14.720 1.00 0.00 C ATOM 539 C ASP A 35 -4.624 32.494 -15.720 1.00 0.00 C ATOM 540 O ASP A 35 -3.650 31.818 -15.394 1.00 0.00 O ATOM 541 CB ASP A 35 -5.479 32.321 -13.295 1.00 0.00 C ATOM 542 CG ASP A 35 -4.426 33.139 -12.550 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.726 33.941 -13.210 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.320 32.924 -11.323 1.00 0.00 O ATOM 0 H ASP A 35 -7.406 31.541 -14.828 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.708 33.924 -14.695 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.412 32.340 -12.731 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.156 31.281 -13.343 1.00 0.00 H new ATOM 549 N TYR A 36 -4.772 32.992 -16.950 1.00 0.00 N ATOM 550 CA TYR A 36 -3.875 32.862 -18.096 1.00 0.00 C ATOM 551 C TYR A 36 -2.407 33.041 -17.744 1.00 0.00 C ATOM 552 O TYR A 36 -1.561 32.273 -18.199 1.00 0.00 O ATOM 553 CB TYR A 36 -4.304 33.844 -19.194 1.00 0.00 C ATOM 554 CG TYR A 36 -5.805 33.955 -19.420 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.567 32.810 -19.720 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.443 35.207 -19.321 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.953 32.914 -19.920 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.829 35.310 -19.523 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.585 34.164 -19.820 1.00 0.00 C ATOM 560 OH TYR A 36 -9.931 34.272 -20.010 1.00 0.00 O ATOM 0 H TYR A 36 -5.596 33.545 -17.188 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.962 31.838 -18.459 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.917 34.832 -18.946 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.834 33.544 -20.130 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.083 31.847 -19.797 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.865 36.089 -19.089 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.533 32.033 -20.151 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.314 36.272 -19.450 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.202 35.208 -19.903 1.00 0.00 H new ATOM 570 N GLU A 37 -2.116 34.056 -16.935 1.00 0.00 N ATOM 571 CA GLU A 37 -0.750 34.354 -16.524 1.00 0.00 C ATOM 572 C GLU A 37 -0.152 33.177 -15.763 1.00 0.00 C ATOM 573 O GLU A 37 1.003 32.806 -15.974 1.00 0.00 O ATOM 574 CB GLU A 37 -0.660 35.681 -15.763 1.00 0.00 C ATOM 575 CG GLU A 37 0.804 36.021 -15.450 1.00 0.00 C ATOM 576 CD GLU A 37 0.970 37.500 -15.128 1.00 0.00 C ATOM 577 OE1 GLU A 37 1.187 38.260 -16.099 1.00 0.00 O ATOM 578 OE2 GLU A 37 0.881 37.840 -13.932 1.00 0.00 O ATOM 0 H GLU A 37 -2.816 34.690 -16.549 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.141 34.493 -17.418 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.106 36.479 -16.357 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.231 35.616 -14.837 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.147 35.422 -14.606 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.431 35.759 -16.302 1.00 0.00 H new ATOM 585 N LYS A 38 -0.965 32.573 -14.902 1.00 0.00 N ATOM 586 CA LYS A 38 -0.558 31.405 -14.140 1.00 0.00 C ATOM 587 C LYS A 38 -0.422 30.211 -15.081 1.00 0.00 C ATOM 588 O LYS A 38 0.459 29.375 -14.885 1.00 0.00 O ATOM 589 CB LYS A 38 -1.534 31.136 -12.981 1.00 0.00 C ATOM 590 CG LYS A 38 -0.929 31.428 -11.600 1.00 0.00 C ATOM 591 CD LYS A 38 0.000 30.262 -11.251 1.00 0.00 C ATOM 592 CE LYS A 38 0.908 30.488 -10.044 1.00 0.00 C ATOM 593 NZ LYS A 38 1.832 29.345 -9.898 1.00 0.00 N ATOM 0 H LYS A 38 -1.920 32.880 -14.716 1.00 0.00 H new ATOM 0 HA LYS A 38 0.415 31.585 -13.683 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.426 31.748 -13.116 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.853 30.094 -13.018 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.377 32.368 -11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.714 31.531 -10.851 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.609 29.377 -11.066 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.624 30.044 -12.118 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.473 31.412 -10.169 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.308 30.601 -9.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.215 29.330 -8.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.320 28.459 -10.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.613 29.441 -10.579 1.00 0.00 H new ATOM 607 N GLY A 39 -1.260 30.131 -16.119 1.00 0.00 N ATOM 608 CA GLY A 39 -1.158 29.062 -17.097 1.00 0.00 C ATOM 609 C GLY A 39 0.194 29.091 -17.780 1.00 0.00 C ATOM 610 O GLY A 39 0.749 28.036 -18.053 1.00 0.00 O ATOM 0 H GLY A 39 -2.013 30.796 -16.297 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.304 28.099 -16.608 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.949 29.165 -17.840 1.00 0.00 H new ATOM 614 N VAL A 40 0.735 30.284 -18.054 1.00 0.00 N ATOM 615 CA VAL A 40 2.035 30.390 -18.692 1.00 0.00 C ATOM 616 C VAL A 40 3.086 29.711 -17.808 1.00 0.00 C ATOM 617 O VAL A 40 3.897 28.935 -18.302 1.00 0.00 O ATOM 618 CB VAL A 40 2.399 31.860 -18.991 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.822 31.919 -19.552 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.439 32.529 -19.989 1.00 0.00 C ATOM 0 H VAL A 40 0.291 31.177 -17.843 1.00 0.00 H new ATOM 0 HA VAL A 40 2.004 29.880 -19.655 1.00 0.00 H new ATOM 0 HB VAL A 40 2.319 32.407 -18.052 1.00 0.00 H new ATOM 0 HG11 VAL A 40 4.086 32.955 -19.766 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.519 31.510 -18.820 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.876 31.334 -20.470 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.749 33.560 -20.157 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.460 31.986 -20.934 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.427 32.516 -19.585 1.00 0.00 H new ATOM 630 N ASP A 41 3.058 30.002 -16.506 1.00 0.00 N ATOM 631 CA ASP A 41 3.981 29.454 -15.515 1.00 0.00 C ATOM 632 C ASP A 41 3.845 27.935 -15.418 1.00 0.00 C ATOM 633 O ASP A 41 4.819 27.193 -15.533 1.00 0.00 O ATOM 634 CB ASP A 41 3.755 30.142 -14.153 1.00 0.00 C ATOM 635 CG ASP A 41 4.284 29.327 -12.974 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.487 28.991 -13.004 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.470 29.055 -12.061 1.00 0.00 O ATOM 0 H ASP A 41 2.374 30.642 -16.103 1.00 0.00 H new ATOM 0 HA ASP A 41 5.004 29.658 -15.831 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.242 31.117 -14.160 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.688 30.319 -14.015 1.00 0.00 H new ATOM 642 N HIS A 42 2.619 27.472 -15.202 1.00 0.00 N ATOM 643 CA HIS A 42 2.312 26.059 -15.050 1.00 0.00 C ATOM 644 C HIS A 42 2.611 25.283 -16.322 1.00 0.00 C ATOM 645 O HIS A 42 3.063 24.140 -16.251 1.00 0.00 O ATOM 646 CB HIS A 42 0.880 25.881 -14.538 1.00 0.00 C ATOM 647 CG HIS A 42 0.807 26.189 -13.065 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.474 25.440 -12.106 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.154 27.169 -12.362 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.203 25.982 -10.909 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.402 27.047 -10.993 1.00 0.00 N ATOM 0 H HIS A 42 1.801 28.077 -15.127 1.00 0.00 H new ATOM 0 HA HIS A 42 2.969 25.629 -14.294 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.206 26.539 -15.087 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.546 24.859 -14.719 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.063 24.626 -12.280 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.468 27.932 -12.807 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.591 25.598 -9.977 1.00 0.00 H new ATOM 659 N LEU A 43 2.405 25.894 -17.491 1.00 0.00 N ATOM 660 CA LEU A 43 2.743 25.203 -18.720 1.00 0.00 C ATOM 661 C LEU A 43 4.268 25.183 -18.782 1.00 0.00 C ATOM 662 O LEU A 43 4.839 24.141 -19.077 1.00 0.00 O ATOM 663 CB LEU A 43 2.103 25.840 -19.963 1.00 0.00 C ATOM 664 CG LEU A 43 1.860 24.763 -21.036 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.488 24.101 -20.842 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.885 25.367 -22.441 1.00 0.00 C ATOM 0 H LEU A 43 2.020 26.832 -17.605 1.00 0.00 H new ATOM 0 HA LEU A 43 2.340 24.190 -18.718 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.161 26.317 -19.694 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.753 26.620 -20.359 1.00 0.00 H new ATOM 0 HG LEU A 43 2.657 24.027 -20.930 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.338 23.343 -21.611 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.446 23.633 -19.858 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.294 24.856 -20.919 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.711 24.583 -23.177 1.00 0.00 H new ATOM 0 HD22 LEU A 43 1.105 26.124 -22.526 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.857 25.825 -22.623 1.00 0.00 H new ATOM 678 N THR A 44 4.934 26.310 -18.471 1.00 0.00 N ATOM 679 CA THR A 44 6.397 26.381 -18.477 1.00 0.00 C ATOM 680 C THR A 44 6.997 25.235 -17.647 1.00 0.00 C ATOM 681 O THR A 44 8.002 24.634 -18.024 1.00 0.00 O ATOM 682 CB THR A 44 6.931 27.758 -18.049 1.00 0.00 C ATOM 683 OG1 THR A 44 6.542 28.725 -19.001 1.00 0.00 O ATOM 684 CG2 THR A 44 8.463 27.775 -18.002 1.00 0.00 C ATOM 0 H THR A 44 4.476 27.184 -18.212 1.00 0.00 H new ATOM 0 HA THR A 44 6.725 26.254 -19.509 1.00 0.00 H new ATOM 0 HB THR A 44 6.527 27.972 -17.060 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.585 28.914 -18.903 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.807 28.763 -17.696 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.813 27.031 -17.286 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.860 27.543 -18.990 1.00 0.00 H new ATOM 692 N ASN A 45 6.350 24.923 -16.520 1.00 0.00 N ATOM 693 CA ASN A 45 6.764 23.843 -15.627 1.00 0.00 C ATOM 694 C ASN A 45 6.625 22.512 -16.366 1.00 0.00 C ATOM 695 O ASN A 45 7.529 21.673 -16.340 1.00 0.00 O ATOM 696 CB ASN A 45 5.956 23.848 -14.320 1.00 0.00 C ATOM 697 CG ASN A 45 6.556 24.777 -13.267 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.238 24.321 -12.353 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.311 26.079 -13.383 1.00 0.00 N ATOM 0 H ASN A 45 5.517 25.419 -16.202 1.00 0.00 H new ATOM 0 HA ASN A 45 7.806 23.992 -15.345 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.932 24.156 -14.531 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.909 22.835 -13.922 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.694 26.733 -12.700 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.740 26.424 -14.155 1.00 0.00 H new ATOM 706 N ALA A 46 5.492 22.333 -17.055 1.00 0.00 N ATOM 707 CA ALA A 46 5.232 21.142 -17.840 1.00 0.00 C ATOM 708 C ALA A 46 6.404 20.919 -18.816 1.00 0.00 C ATOM 709 O ALA A 46 6.951 19.820 -18.893 1.00 0.00 O ATOM 710 CB ALA A 46 3.849 21.249 -18.501 1.00 0.00 C ATOM 0 H ALA A 46 4.735 23.016 -17.078 1.00 0.00 H new ATOM 0 HA ALA A 46 5.185 20.250 -17.216 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.657 20.352 -19.090 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.084 21.348 -17.731 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.823 22.123 -19.152 1.00 0.00 H new ATOM 716 N ILE A 47 6.825 21.974 -19.530 1.00 0.00 N ATOM 717 CA ILE A 47 7.963 21.907 -20.451 1.00 0.00 C ATOM 718 C ILE A 47 9.254 21.565 -19.712 1.00 0.00 C ATOM 719 O ILE A 47 10.100 20.850 -20.243 1.00 0.00 O ATOM 720 CB ILE A 47 8.168 23.218 -21.250 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.075 23.460 -22.320 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.570 23.286 -21.891 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.765 23.968 -21.730 1.00 0.00 C ATOM 0 H ILE A 47 6.386 22.893 -19.484 1.00 0.00 H new ATOM 0 HA ILE A 47 7.724 21.114 -21.159 1.00 0.00 H new ATOM 0 HB ILE A 47 8.081 24.020 -20.517 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.442 24.182 -23.050 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.888 22.530 -22.857 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.673 24.221 -22.442 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.330 23.239 -21.111 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.699 22.446 -22.574 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.040 24.118 -22.530 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.377 23.236 -21.021 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.940 24.913 -21.216 1.00 0.00 H new ATOM 735 N ALA A 48 9.413 22.101 -18.505 1.00 0.00 N ATOM 736 CA ALA A 48 10.608 21.920 -17.697 1.00 0.00 C ATOM 737 C ALA A 48 10.822 20.458 -17.361 1.00 0.00 C ATOM 738 O ALA A 48 11.963 20.015 -17.252 1.00 0.00 O ATOM 739 CB ALA A 48 10.577 22.788 -16.436 1.00 0.00 C ATOM 0 H ALA A 48 8.703 22.681 -18.057 1.00 0.00 H new ATOM 0 HA ALA A 48 11.459 22.252 -18.291 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.487 22.624 -15.859 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.511 23.839 -16.719 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.711 22.520 -15.831 1.00 0.00 H new ATOM 745 N VAL A 49 9.722 19.716 -17.214 1.00 0.00 N ATOM 746 CA VAL A 49 9.793 18.304 -16.894 1.00 0.00 C ATOM 747 C VAL A 49 9.612 17.427 -18.129 1.00 0.00 C ATOM 748 O VAL A 49 9.938 16.243 -18.074 1.00 0.00 O ATOM 749 CB VAL A 49 8.806 17.987 -15.769 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.071 18.967 -14.620 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.326 18.034 -16.167 1.00 0.00 C ATOM 0 H VAL A 49 8.774 20.078 -17.313 1.00 0.00 H new ATOM 0 HA VAL A 49 10.793 18.068 -16.531 1.00 0.00 H new ATOM 0 HB VAL A 49 8.980 16.951 -15.479 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.380 18.764 -13.802 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.096 18.847 -14.268 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.926 19.988 -14.972 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.709 17.795 -15.301 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.077 19.033 -16.526 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.139 17.308 -16.958 1.00 0.00 H new ATOM 761 N CYS A 50 9.116 17.985 -19.242 1.00 0.00 N ATOM 762 CA CYS A 50 8.933 17.215 -20.466 1.00 0.00 C ATOM 763 C CYS A 50 10.217 17.236 -21.295 1.00 0.00 C ATOM 764 O CYS A 50 10.697 16.185 -21.712 1.00 0.00 O ATOM 765 CB CYS A 50 7.712 17.730 -21.221 1.00 0.00 C ATOM 766 SG CYS A 50 7.580 16.947 -22.846 1.00 0.00 S ATOM 0 H CYS A 50 8.837 18.964 -19.313 1.00 0.00 H new ATOM 0 HA CYS A 50 8.737 16.169 -20.231 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.810 17.530 -20.642 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.782 18.811 -21.339 1.00 0.00 H new ATOM 0 HG CYS A 50 6.531 17.403 -23.464 1.00 0.00 H new ATOM 772 N GLY A 51 10.778 18.428 -21.534 1.00 0.00 N ATOM 773 CA GLY A 51 12.010 18.590 -22.295 1.00 0.00 C ATOM 774 C GLY A 51 11.786 18.605 -23.808 1.00 0.00 C ATOM 775 O GLY A 51 12.736 18.800 -24.562 1.00 0.00 O ATOM 0 H GLY A 51 10.383 19.308 -21.201 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.494 19.520 -21.997 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.694 17.780 -22.043 1.00 0.00 H new ATOM 779 N GLN A 52 10.540 18.413 -24.252 1.00 0.00 N ATOM 780 CA GLN A 52 10.139 18.419 -25.654 1.00 0.00 C ATOM 781 C GLN A 52 8.995 19.432 -25.776 1.00 0.00 C ATOM 782 O GLN A 52 7.851 19.041 -26.016 1.00 0.00 O ATOM 783 CB GLN A 52 9.765 16.989 -26.074 1.00 0.00 C ATOM 784 CG GLN A 52 9.476 16.886 -27.579 1.00 0.00 C ATOM 785 CD GLN A 52 10.648 17.297 -28.464 1.00 0.00 C ATOM 786 OE1 GLN A 52 10.580 18.317 -29.146 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.728 16.518 -28.452 1.00 0.00 N ATOM 0 H GLN A 52 9.758 18.243 -23.619 1.00 0.00 H new ATOM 0 HA GLN A 52 10.936 18.724 -26.332 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.578 16.311 -25.814 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.888 16.665 -25.514 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.198 15.859 -27.816 1.00 0.00 H new ATOM 0 HG3 GLN A 52 8.616 17.512 -27.817 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.745 15.679 -27.872 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.538 16.760 -29.023 1.00 0.00 H new ATOM 796 N PRO A 53 9.272 20.739 -25.597 1.00 0.00 N ATOM 797 CA PRO A 53 8.244 21.761 -25.668 1.00 0.00 C ATOM 798 C PRO A 53 7.442 21.750 -26.960 1.00 0.00 C ATOM 799 O PRO A 53 6.222 21.755 -26.919 1.00 0.00 O ATOM 800 CB PRO A 53 8.961 23.109 -25.511 1.00 0.00 C ATOM 801 CG PRO A 53 10.425 22.801 -25.805 1.00 0.00 C ATOM 802 CD PRO A 53 10.555 21.371 -25.297 1.00 0.00 C ATOM 0 HA PRO A 53 7.514 21.573 -24.881 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.565 23.852 -26.204 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.834 23.511 -24.506 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.653 22.879 -26.868 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.098 23.482 -25.284 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.375 20.851 -25.791 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.763 21.351 -24.227 1.00 0.00 H new ATOM 810 N GLN A 54 8.137 21.770 -28.094 1.00 0.00 N ATOM 811 CA GLN A 54 7.560 21.857 -29.430 1.00 0.00 C ATOM 812 C GLN A 54 6.516 20.778 -29.693 1.00 0.00 C ATOM 813 O GLN A 54 5.416 21.094 -30.147 1.00 0.00 O ATOM 814 CB GLN A 54 8.681 21.841 -30.484 1.00 0.00 C ATOM 815 CG GLN A 54 9.769 22.915 -30.274 1.00 0.00 C ATOM 816 CD GLN A 54 10.782 22.906 -31.415 1.00 0.00 C ATOM 817 OE1 GLN A 54 10.928 23.893 -32.131 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.496 21.794 -31.591 1.00 0.00 N ATOM 0 H GLN A 54 9.156 21.724 -28.107 1.00 0.00 H new ATOM 0 HA GLN A 54 7.025 22.804 -29.502 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.152 20.858 -30.480 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.238 21.978 -31.470 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.304 23.898 -30.205 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.281 22.737 -29.328 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.350 20.992 -30.978 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.188 21.745 -32.338 1.00 0.00 H new ATOM 827 N GLN A 55 6.845 19.518 -29.398 1.00 0.00 N ATOM 828 CA GLN A 55 5.891 18.430 -29.593 1.00 0.00 C ATOM 829 C GLN A 55 4.636 18.715 -28.780 1.00 0.00 C ATOM 830 O GLN A 55 3.523 18.551 -29.274 1.00 0.00 O ATOM 831 CB GLN A 55 6.495 17.075 -29.205 1.00 0.00 C ATOM 832 CG GLN A 55 5.634 15.891 -29.649 1.00 0.00 C ATOM 833 CD GLN A 55 6.189 14.599 -29.066 1.00 0.00 C ATOM 834 OE1 GLN A 55 6.880 13.849 -29.750 1.00 0.00 O ATOM 835 NE2 GLN A 55 5.908 14.337 -27.790 1.00 0.00 N ATOM 0 H GLN A 55 7.751 19.231 -29.029 1.00 0.00 H new ATOM 0 HA GLN A 55 5.635 18.374 -30.651 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.486 16.984 -29.649 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.626 17.037 -28.124 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.605 16.035 -29.321 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.616 15.831 -30.737 1.00 0.00 H new ATOM 0 HE21 GLN A 55 5.330 14.983 -27.252 1.00 0.00 H new ATOM 0 HE22 GLN A 55 6.270 13.490 -27.351 1.00 0.00 H new ATOM 844 N LEU A 56 4.828 19.158 -27.536 1.00 0.00 N ATOM 845 CA LEU A 56 3.732 19.488 -26.648 1.00 0.00 C ATOM 846 C LEU A 56 2.934 20.676 -27.193 1.00 0.00 C ATOM 847 O LEU A 56 1.710 20.658 -27.163 1.00 0.00 O ATOM 848 CB LEU A 56 4.224 19.712 -25.207 1.00 0.00 C ATOM 849 CG LEU A 56 3.083 19.884 -24.190 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.276 18.588 -23.981 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.690 20.373 -22.871 1.00 0.00 C ATOM 0 H LEU A 56 5.751 19.295 -27.124 1.00 0.00 H new ATOM 0 HA LEU A 56 3.051 18.638 -26.608 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.843 18.867 -24.907 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.859 20.597 -25.182 1.00 0.00 H new ATOM 0 HG LEU A 56 2.374 20.616 -24.577 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.484 18.766 -23.254 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.836 18.277 -24.928 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.937 17.803 -23.613 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.899 20.503 -22.132 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.409 19.639 -22.507 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.194 21.326 -23.034 1.00 0.00 H new ATOM 863 N LEU A 57 3.591 21.716 -27.708 1.00 0.00 N ATOM 864 CA LEU A 57 2.855 22.859 -28.241 1.00 0.00 C ATOM 865 C LEU A 57 1.991 22.390 -29.410 1.00 0.00 C ATOM 866 O LEU A 57 0.850 22.834 -29.554 1.00 0.00 O ATOM 867 CB LEU A 57 3.757 24.060 -28.582 1.00 0.00 C ATOM 868 CG LEU A 57 4.717 24.543 -27.467 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.212 25.965 -27.743 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.137 24.483 -26.043 1.00 0.00 C ATOM 0 H LEU A 57 4.607 21.790 -27.767 1.00 0.00 H new ATOM 0 HA LEU A 57 2.199 23.247 -27.462 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.353 23.801 -29.457 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.118 24.896 -28.868 1.00 0.00 H new ATOM 0 HG LEU A 57 5.544 23.833 -27.498 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.884 26.278 -26.944 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.744 25.987 -28.694 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.361 26.644 -27.788 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.881 24.841 -25.332 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.248 25.112 -25.985 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.870 23.454 -25.802 1.00 0.00 H new ATOM 882 N GLN A 58 2.506 21.456 -30.219 1.00 0.00 N ATOM 883 CA GLN A 58 1.703 20.918 -31.300 1.00 0.00 C ATOM 884 C GLN A 58 0.538 20.122 -30.707 1.00 0.00 C ATOM 885 O GLN A 58 -0.599 20.307 -31.124 1.00 0.00 O ATOM 886 CB GLN A 58 2.538 20.124 -32.317 1.00 0.00 C ATOM 887 CG GLN A 58 1.699 19.704 -33.538 1.00 0.00 C ATOM 888 CD GLN A 58 0.908 20.863 -34.150 1.00 0.00 C ATOM 889 OE1 GLN A 58 -0.314 20.808 -34.247 1.00 0.00 O ATOM 890 NE2 GLN A 58 1.598 21.932 -34.544 1.00 0.00 N ATOM 0 H GLN A 58 3.448 21.072 -30.143 1.00 0.00 H new ATOM 0 HA GLN A 58 1.288 21.741 -31.882 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.382 20.729 -32.646 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.950 19.237 -31.836 1.00 0.00 H new ATOM 0 HG2 GLN A 58 2.358 19.281 -34.296 1.00 0.00 H new ATOM 0 HG3 GLN A 58 1.007 18.916 -33.242 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.614 21.947 -34.450 1.00 0.00 H new ATOM 0 HE22 GLN A 58 1.111 22.736 -34.940 1.00 0.00 H new ATOM 899 N VAL A 59 0.807 19.255 -29.724 1.00 0.00 N ATOM 900 CA VAL A 59 -0.213 18.441 -29.069 1.00 0.00 C ATOM 901 C VAL A 59 -1.326 19.281 -28.465 1.00 0.00 C ATOM 902 O VAL A 59 -2.474 18.849 -28.454 1.00 0.00 O ATOM 903 CB VAL A 59 0.390 17.454 -28.054 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.267 17.794 -26.555 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.279 16.119 -28.212 1.00 0.00 C ATOM 0 H VAL A 59 1.748 19.100 -29.361 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.673 17.838 -29.852 1.00 0.00 H new ATOM 0 HB VAL A 59 1.453 17.485 -28.294 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.737 17.008 -25.964 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.763 18.744 -26.356 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.786 17.871 -26.285 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.143 15.414 -27.496 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.349 16.224 -28.031 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.118 15.749 -29.224 1.00 0.00 H new ATOM 915 N LEU A 60 -0.994 20.488 -28.014 1.00 0.00 N ATOM 916 CA LEU A 60 -1.957 21.400 -27.417 1.00 0.00 C ATOM 917 C LEU A 60 -2.756 22.037 -28.553 1.00 0.00 C ATOM 918 O LEU A 60 -3.959 22.225 -28.408 1.00 0.00 O ATOM 919 CB LEU A 60 -1.187 22.536 -26.708 1.00 0.00 C ATOM 920 CG LEU A 60 -0.830 22.386 -25.217 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.946 22.990 -24.354 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.591 20.956 -24.731 1.00 0.00 C ATOM 0 H LEU A 60 -0.045 20.859 -28.054 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.601 20.870 -26.715 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.257 22.692 -27.254 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.776 23.447 -26.814 1.00 0.00 H new ATOM 0 HG LEU A 60 0.119 22.911 -25.113 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.690 22.882 -23.300 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.059 24.047 -24.593 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.883 22.470 -24.555 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.347 20.969 -23.669 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.491 20.363 -24.890 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.236 20.516 -25.288 1.00 0.00 H new ATOM 934 N GLN A 61 -2.105 22.346 -29.680 1.00 0.00 N ATOM 935 CA GLN A 61 -2.751 22.959 -30.840 1.00 0.00 C ATOM 936 C GLN A 61 -3.697 21.979 -31.540 1.00 0.00 C ATOM 937 O GLN A 61 -4.731 22.384 -32.066 1.00 0.00 O ATOM 938 CB GLN A 61 -1.681 23.558 -31.780 1.00 0.00 C ATOM 939 CG GLN A 61 -2.171 23.939 -33.186 1.00 0.00 C ATOM 940 CD GLN A 61 -1.064 24.633 -33.982 1.00 0.00 C ATOM 941 OE1 GLN A 61 -0.393 24.006 -34.799 1.00 0.00 O ATOM 942 NE2 GLN A 61 -0.860 25.929 -33.747 1.00 0.00 N ATOM 0 H GLN A 61 -1.108 22.175 -29.811 1.00 0.00 H new ATOM 0 HA GLN A 61 -3.384 23.781 -30.506 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -1.264 24.447 -31.307 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.868 22.839 -31.880 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.499 23.045 -33.716 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -3.036 24.598 -33.108 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.435 26.420 -33.062 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.129 26.430 -34.252 1.00 0.00 H new ATOM 951 N GLN A 62 -3.345 20.691 -31.541 1.00 0.00 N ATOM 952 CA GLN A 62 -4.111 19.617 -32.156 1.00 0.00 C ATOM 953 C GLN A 62 -5.451 19.432 -31.464 1.00 0.00 C ATOM 954 O GLN A 62 -6.475 19.258 -32.123 1.00 0.00 O ATOM 955 CB GLN A 62 -3.339 18.296 -32.030 1.00 0.00 C ATOM 956 CG GLN A 62 -2.184 18.163 -33.019 1.00 0.00 C ATOM 957 CD GLN A 62 -2.671 18.096 -34.463 1.00 0.00 C ATOM 958 OE1 GLN A 62 -3.295 17.119 -34.865 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.396 19.138 -35.248 1.00 0.00 N ATOM 0 H GLN A 62 -2.488 20.361 -31.097 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.271 19.883 -33.201 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.949 18.209 -31.016 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -4.030 17.466 -32.178 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.509 19.011 -32.903 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.611 17.265 -32.788 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -1.875 19.932 -34.877 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -2.707 19.141 -36.219 1.00 0.00 H new ATOM 968 N THR A 63 -5.435 19.438 -30.130 1.00 0.00 N ATOM 969 CA THR A 63 -6.638 19.204 -29.354 1.00 0.00 C ATOM 970 C THR A 63 -7.525 20.440 -29.255 1.00 0.00 C ATOM 971 O THR A 63 -8.744 20.294 -29.188 1.00 0.00 O ATOM 972 CB THR A 63 -6.287 18.558 -28.015 1.00 0.00 C ATOM 973 OG1 THR A 63 -7.456 18.134 -27.341 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.443 19.445 -27.114 1.00 0.00 C ATOM 0 H THR A 63 -4.598 19.603 -29.571 1.00 0.00 H new ATOM 0 HA THR A 63 -7.262 18.486 -29.886 1.00 0.00 H new ATOM 0 HB THR A 63 -5.672 17.690 -28.252 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.210 17.722 -26.487 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.233 18.921 -26.182 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.505 19.685 -27.615 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.985 20.366 -26.899 1.00 0.00 H new ATOM 982 N LEU A 64 -6.934 21.638 -29.257 1.00 0.00 N ATOM 983 CA LEU A 64 -7.709 22.880 -29.189 1.00 0.00 C ATOM 984 C LEU A 64 -6.873 24.116 -29.543 1.00 0.00 C ATOM 985 O LEU A 64 -5.689 24.139 -29.229 1.00 0.00 O ATOM 986 CB LEU A 64 -8.358 23.043 -27.796 1.00 0.00 C ATOM 987 CG LEU A 64 -7.358 23.177 -26.630 1.00 0.00 C ATOM 988 CD1 LEU A 64 -7.177 24.641 -26.211 1.00 0.00 C ATOM 989 CD2 LEU A 64 -7.861 22.387 -25.416 1.00 0.00 C ATOM 0 H LEU A 64 -5.924 21.774 -29.305 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.496 22.803 -29.940 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.999 23.925 -27.810 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.002 22.184 -27.608 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.401 22.784 -26.974 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.466 24.698 -25.387 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.801 25.217 -27.056 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.136 25.049 -25.892 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.149 22.487 -24.597 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.830 22.777 -25.104 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.962 21.335 -25.683 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.459 25.156 -30.170 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.750 26.391 -30.493 1.00 0.00 C ATOM 1003 C PRO A 65 -6.392 27.066 -29.160 1.00 0.00 C ATOM 1004 O PRO A 65 -7.302 27.466 -28.438 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.733 27.225 -31.323 1.00 0.00 C ATOM 1006 CG PRO A 65 -9.107 26.717 -30.888 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.852 25.241 -30.583 1.00 0.00 C ATOM 0 HA PRO A 65 -5.828 26.249 -31.058 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.620 28.291 -31.124 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.575 27.082 -32.392 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.475 27.251 -30.012 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.851 26.843 -31.675 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.516 24.884 -29.795 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.038 24.623 -31.461 1.00 0.00 H new ATOM 1015 N PRO A 66 -5.104 27.168 -28.786 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.678 27.707 -27.507 1.00 0.00 C ATOM 1017 C PRO A 66 -4.290 29.192 -27.587 1.00 0.00 C ATOM 1018 O PRO A 66 -3.201 29.508 -28.061 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.497 26.801 -27.153 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.815 26.539 -28.501 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.936 26.715 -29.528 1.00 0.00 C ATOM 0 HA PRO A 66 -5.464 27.704 -26.752 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.819 27.285 -26.450 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.831 25.874 -26.687 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.999 27.240 -28.678 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.389 25.537 -28.544 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.654 27.441 -30.290 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.142 25.777 -30.043 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.129 30.133 -27.116 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.783 31.549 -27.128 1.00 0.00 C ATOM 1031 C PRO A 67 -3.705 31.819 -26.070 1.00 0.00 C ATOM 1032 O PRO A 67 -2.814 32.639 -26.278 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.086 32.288 -26.816 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.862 31.294 -25.953 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.444 29.936 -26.520 1.00 0.00 C ATOM 0 HA PRO A 67 -4.374 31.880 -28.083 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.901 33.222 -26.285 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.631 32.541 -27.725 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.602 31.387 -24.899 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -7.938 31.448 -26.030 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.407 29.181 -25.735 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.160 29.587 -27.264 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.789 31.107 -24.941 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.869 31.187 -23.813 1.00 0.00 C ATOM 1045 C VAL A 68 -1.450 30.965 -24.308 1.00 0.00 C ATOM 1046 O VAL A 68 -0.563 31.749 -23.993 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.245 30.162 -22.733 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -2.109 30.036 -21.714 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.539 30.606 -22.044 1.00 0.00 C ATOM 0 H VAL A 68 -4.536 30.430 -24.787 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.935 32.177 -23.361 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.403 29.186 -23.192 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.383 29.307 -20.951 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.201 29.707 -22.220 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.933 31.004 -21.244 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.810 29.881 -21.276 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.390 31.583 -21.584 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.340 30.671 -22.781 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.257 29.904 -25.095 1.00 0.00 N ATOM 1060 CA PHE A 69 0.020 29.555 -25.708 1.00 0.00 C ATOM 1061 C PHE A 69 0.680 30.791 -26.321 1.00 0.00 C ATOM 1062 O PHE A 69 1.869 31.011 -26.121 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.215 28.433 -26.731 1.00 0.00 C ATOM 1064 CG PHE A 69 0.574 28.474 -28.024 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.086 29.232 -29.106 1.00 0.00 C ATOM 1066 CD2 PHE A 69 1.774 27.755 -28.157 1.00 0.00 C ATOM 1067 CE1 PHE A 69 0.794 29.278 -30.316 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.482 27.803 -29.374 1.00 0.00 C ATOM 1069 CZ PHE A 69 1.993 28.562 -30.451 1.00 0.00 C ATOM 0 H PHE A 69 -2.005 29.250 -25.327 1.00 0.00 H new ATOM 0 HA PHE A 69 0.716 29.185 -24.955 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.003 27.483 -26.240 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.275 28.430 -26.986 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.838 29.781 -29.004 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.151 27.169 -27.332 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.417 29.863 -31.142 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.406 27.253 -29.480 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.540 28.594 -31.382 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.089 31.602 -27.051 1.00 0.00 N ATOM 1080 CA GLN A 70 0.441 32.801 -27.703 1.00 0.00 C ATOM 1081 C GLN A 70 0.946 33.824 -26.678 1.00 0.00 C ATOM 1082 O GLN A 70 1.921 34.533 -26.929 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.596 33.407 -28.666 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.082 34.624 -29.451 1.00 0.00 C ATOM 1085 CD GLN A 70 1.138 34.314 -30.315 1.00 0.00 C ATOM 1086 OE1 GLN A 70 1.003 33.946 -31.478 1.00 0.00 O ATOM 1087 NE2 GLN A 70 2.337 34.474 -29.756 1.00 0.00 N ATOM 0 H GLN A 70 -1.085 31.449 -27.206 1.00 0.00 H new ATOM 0 HA GLN A 70 1.304 32.506 -28.299 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -0.913 32.640 -29.372 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.478 33.701 -28.097 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -0.882 35.002 -30.087 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.171 35.420 -28.750 1.00 0.00 H new ATOM 0 HE21 GLN A 70 2.411 34.781 -28.786 1.00 0.00 H new ATOM 0 HE22 GLN A 70 3.181 34.289 -30.298 1.00 0.00 H new ATOM 1096 N MET A 71 0.291 33.887 -25.519 1.00 0.00 N ATOM 1097 CA MET A 71 0.640 34.770 -24.423 1.00 0.00 C ATOM 1098 C MET A 71 1.855 34.178 -23.710 1.00 0.00 C ATOM 1099 O MET A 71 2.721 34.918 -23.260 1.00 0.00 O ATOM 1100 CB MET A 71 -0.566 35.011 -23.498 1.00 0.00 C ATOM 1101 CG MET A 71 -1.839 35.403 -24.276 1.00 0.00 C ATOM 1102 SD MET A 71 -3.034 36.431 -23.381 1.00 0.00 S ATOM 1103 CE MET A 71 -3.487 35.297 -22.054 1.00 0.00 C ATOM 0 H MET A 71 -0.521 33.304 -25.318 1.00 0.00 H new ATOM 0 HA MET A 71 0.910 35.760 -24.791 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.762 34.108 -22.919 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.322 35.800 -22.786 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.539 35.933 -25.180 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.342 34.490 -24.594 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.221 35.773 -21.404 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.915 34.390 -22.481 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.600 35.042 -21.474 1.00 0.00 H new ATOM 1113 N LEU A 72 1.960 32.847 -23.645 1.00 0.00 N ATOM 1114 CA LEU A 72 3.110 32.171 -23.076 1.00 0.00 C ATOM 1115 C LEU A 72 4.320 32.589 -23.902 1.00 0.00 C ATOM 1116 O LEU A 72 5.352 32.968 -23.355 1.00 0.00 O ATOM 1117 CB LEU A 72 2.863 30.644 -23.014 1.00 0.00 C ATOM 1118 CG LEU A 72 4.049 29.738 -23.379 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.140 29.739 -22.303 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.552 28.301 -23.547 1.00 0.00 C ATOM 0 H LEU A 72 1.240 32.212 -23.990 1.00 0.00 H new ATOM 0 HA LEU A 72 3.293 32.456 -22.040 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.541 30.392 -22.004 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.035 30.406 -23.681 1.00 0.00 H new ATOM 0 HG LEU A 72 4.477 30.127 -24.303 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.955 29.083 -22.610 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.520 30.752 -22.171 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.723 29.382 -21.361 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.390 27.654 -23.806 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.105 27.959 -22.614 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.806 28.264 -24.341 1.00 0.00 H new ATOM 1132 N LEU A 73 4.171 32.546 -25.227 1.00 0.00 N ATOM 1133 CA LEU A 73 5.256 32.926 -26.121 1.00 0.00 C ATOM 1134 C LEU A 73 5.607 34.399 -26.008 1.00 0.00 C ATOM 1135 O LEU A 73 6.755 34.761 -26.246 1.00 0.00 O ATOM 1136 CB LEU A 73 4.931 32.637 -27.591 1.00 0.00 C ATOM 1137 CG LEU A 73 4.577 31.201 -27.995 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.400 31.220 -29.507 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.596 30.147 -27.561 1.00 0.00 C ATOM 0 H LEU A 73 3.315 32.254 -25.698 1.00 0.00 H new ATOM 0 HA LEU A 73 6.104 32.318 -25.805 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.096 33.277 -27.878 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.789 32.947 -28.187 1.00 0.00 H new ATOM 0 HG LEU A 73 3.667 30.899 -27.476 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.145 30.219 -29.856 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.600 31.911 -29.771 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.328 31.543 -29.978 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.263 29.162 -27.889 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.564 30.371 -28.009 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.688 30.155 -26.475 1.00 0.00 H new ATOM 1151 N THR A 74 4.634 35.244 -25.659 1.00 0.00 N ATOM 1152 CA THR A 74 4.866 36.672 -25.516 1.00 0.00 C ATOM 1153 C THR A 74 5.441 36.987 -24.131 1.00 0.00 C ATOM 1154 O THR A 74 6.109 38.005 -23.966 1.00 0.00 O ATOM 1155 CB THR A 74 3.658 37.514 -25.958 1.00 0.00 C ATOM 1156 OG1 THR A 74 4.103 38.676 -26.628 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.793 37.958 -24.789 1.00 0.00 C ATOM 0 H THR A 74 3.674 34.955 -25.470 1.00 0.00 H new ATOM 0 HA THR A 74 5.639 36.983 -26.219 1.00 0.00 H new ATOM 0 HB THR A 74 3.061 36.878 -26.612 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.329 39.208 -26.909 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.955 38.549 -25.160 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.414 37.082 -24.263 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.388 38.562 -24.105 1.00 0.00 H new ATOM 1165 N LYS A 75 5.200 36.123 -23.132 1.00 0.00 N ATOM 1166 CA LYS A 75 5.706 36.334 -21.785 1.00 0.00 C ATOM 1167 C LYS A 75 7.238 36.282 -21.735 1.00 0.00 C ATOM 1168 O LYS A 75 7.856 37.254 -21.306 1.00 0.00 O ATOM 1169 CB LYS A 75 5.049 35.313 -20.836 1.00 0.00 C ATOM 1170 CG LYS A 75 4.085 35.917 -19.804 1.00 0.00 C ATOM 1171 CD LYS A 75 2.787 36.489 -20.399 1.00 0.00 C ATOM 1172 CE LYS A 75 1.828 36.978 -19.303 1.00 0.00 C ATOM 1173 NZ LYS A 75 2.413 38.044 -18.466 1.00 0.00 N ATOM 0 H LYS A 75 4.653 35.269 -23.243 1.00 0.00 H new ATOM 0 HA LYS A 75 5.438 37.337 -21.454 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.506 34.580 -21.433 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.834 34.774 -20.306 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.827 35.150 -19.074 1.00 0.00 H new ATOM 0 HG3 LYS A 75 4.602 36.710 -19.264 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.026 37.315 -21.068 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.294 35.725 -21.000 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.912 37.347 -19.766 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.548 36.137 -18.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 1.730 38.324 -17.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.282 37.693 -18.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.640 38.867 -19.060 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.057 13.421 -25.056 1.00 0.00 N ATOM 1589 CA LEU B 7 -3.776 13.168 -25.697 1.00 0.00 C ATOM 1590 C LEU B 7 -2.789 12.472 -24.751 1.00 0.00 C ATOM 1591 O LEU B 7 -2.202 11.462 -25.129 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.258 14.492 -26.298 1.00 0.00 C ATOM 1593 CG LEU B 7 -3.032 15.616 -25.265 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -1.566 15.706 -24.854 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -3.442 17.001 -25.737 1.00 0.00 C ATOM 0 HA LEU B 7 -3.897 12.459 -26.516 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.319 14.298 -26.817 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -3.970 14.840 -27.046 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.672 15.332 -24.430 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.441 16.507 -24.126 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.254 14.761 -24.410 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -0.954 15.915 -25.732 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.248 17.727 -24.947 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -2.868 17.268 -26.624 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.505 17.003 -25.978 1.00 0.00 H new ATOM 1607 N LEU B 8 -2.602 12.988 -23.530 1.00 0.00 N ATOM 1608 CA LEU B 8 -1.673 12.425 -22.556 1.00 0.00 C ATOM 1609 C LEU B 8 -2.285 11.076 -22.162 1.00 0.00 C ATOM 1610 O LEU B 8 -3.388 11.015 -21.626 1.00 0.00 O ATOM 1611 CB LEU B 8 -1.410 13.343 -21.352 1.00 0.00 C ATOM 1612 CG LEU B 8 -0.990 14.829 -21.505 1.00 0.00 C ATOM 1613 CD1 LEU B 8 0.293 15.058 -22.318 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.154 15.777 -21.837 1.00 0.00 C ATOM 0 H LEU B 8 -3.097 13.814 -23.193 1.00 0.00 H new ATOM 0 HA LEU B 8 -0.678 12.306 -22.985 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.320 13.338 -20.753 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -0.634 12.861 -20.757 1.00 0.00 H new ATOM 0 HG LEU B 8 -0.691 15.127 -20.500 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.505 16.126 -22.370 1.00 0.00 H new ATOM 0 HD12 LEU B 8 1.126 14.546 -21.836 1.00 0.00 H new ATOM 0 HD13 LEU B 8 0.160 14.665 -23.326 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.779 16.796 -21.928 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.613 15.474 -22.778 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -2.897 15.734 -21.041 1.00 0.00 H new