USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=10 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 K(o=0,f=-0.95) USER MOD Single : A 18 LYS NZ :NH3+ -137:sc= 0.442 (180deg=-1.14) USER MOD Single : A 25 GLN : amide:sc= 0.0555 X(o=0.055,f=0) USER MOD Single : A 33 GLN : amide:sc= 0.385 X(o=0.38,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -178:sc= 2.48 (180deg=2.46) USER MOD Single : A 42 HIS : no HE2:sc= 0.83 K(o=0.83,f=-3.5!) USER MOD Single : A 44 THR OG1 : rot 74:sc= 1.13 USER MOD Single : A 45 ASN : amide:sc= 1.08 K(o=1.1,f=0) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0665 USER MOD Single : A 52 GLN : amide:sc= -0.124 X(o=-0.12,f=-0.12) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 58 GLN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=-0.49) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 THR OG1 : rot -150:sc= 0 USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 MET CE :methyl 176:sc= -0.227 (180deg=-0.256) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 168:sc= 1.28 (180deg=1.16) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.766 7.435 -14.660 1.00 0.00 N ATOM 205 CA GLU A 14 5.326 7.511 -14.458 1.00 0.00 C ATOM 206 C GLU A 14 4.994 8.646 -13.494 1.00 0.00 C ATOM 207 O GLU A 14 4.033 9.373 -13.706 1.00 0.00 O ATOM 208 CB GLU A 14 4.739 6.156 -14.034 1.00 0.00 C ATOM 209 CG GLU A 14 4.975 5.736 -12.569 1.00 0.00 C ATOM 210 CD GLU A 14 3.971 6.358 -11.601 1.00 0.00 C ATOM 211 OE1 GLU A 14 2.754 6.196 -11.835 1.00 0.00 O ATOM 212 OE2 GLU A 14 4.412 7.026 -10.642 1.00 0.00 O ATOM 0 HA GLU A 14 4.845 7.746 -15.408 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.664 6.177 -14.215 1.00 0.00 H new ATOM 0 HB3 GLU A 14 5.156 5.385 -14.682 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.918 4.650 -12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 14 5.984 6.024 -12.272 1.00 0.00 H new ATOM 219 N ALA A 15 5.805 8.810 -12.446 1.00 0.00 N ATOM 220 CA ALA A 15 5.632 9.854 -11.441 1.00 0.00 C ATOM 221 C ALA A 15 5.766 11.232 -12.082 1.00 0.00 C ATOM 222 O ALA A 15 5.056 12.172 -11.721 1.00 0.00 O ATOM 223 CB ALA A 15 6.672 9.680 -10.329 1.00 0.00 C ATOM 0 H ALA A 15 6.612 8.210 -12.272 1.00 0.00 H new ATOM 0 HA ALA A 15 4.635 9.770 -11.009 1.00 0.00 H new ATOM 0 HB1 ALA A 15 6.539 10.462 -9.581 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.544 8.704 -9.861 1.00 0.00 H new ATOM 0 HB3 ALA A 15 7.674 9.750 -10.753 1.00 0.00 H new ATOM 229 N VAL A 16 6.683 11.327 -13.048 1.00 0.00 N ATOM 230 CA VAL A 16 6.947 12.548 -13.797 1.00 0.00 C ATOM 231 C VAL A 16 5.795 12.750 -14.776 1.00 0.00 C ATOM 232 O VAL A 16 5.379 13.883 -14.994 1.00 0.00 O ATOM 233 CB VAL A 16 8.341 12.510 -14.461 1.00 0.00 C ATOM 234 CG1 VAL A 16 8.391 12.904 -15.939 1.00 0.00 C ATOM 235 CG2 VAL A 16 9.386 13.254 -13.645 1.00 0.00 C ATOM 0 H VAL A 16 7.270 10.543 -13.333 1.00 0.00 H new ATOM 0 HA VAL A 16 6.987 13.414 -13.136 1.00 0.00 H new ATOM 0 HB VAL A 16 8.592 11.449 -14.462 1.00 0.00 H new ATOM 0 HG11 VAL A 16 9.418 12.841 -16.298 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.762 12.227 -16.517 1.00 0.00 H new ATOM 0 HG13 VAL A 16 8.028 13.925 -16.056 1.00 0.00 H new ATOM 0 HG21 VAL A 16 10.350 13.200 -14.152 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.090 14.298 -13.539 1.00 0.00 H new ATOM 0 HG23 VAL A 16 9.469 12.799 -12.658 1.00 0.00 H new ATOM 245 N GLN A 17 5.268 11.661 -15.349 1.00 0.00 N ATOM 246 CA GLN A 17 4.142 11.731 -16.271 1.00 0.00 C ATOM 247 C GLN A 17 2.928 12.259 -15.518 1.00 0.00 C ATOM 248 O GLN A 17 2.209 13.111 -16.034 1.00 0.00 O ATOM 249 CB GLN A 17 3.843 10.365 -16.911 1.00 0.00 C ATOM 250 CG GLN A 17 2.879 10.471 -18.102 1.00 0.00 C ATOM 251 CD GLN A 17 2.677 9.117 -18.785 1.00 0.00 C ATOM 252 OE1 GLN A 17 3.093 8.083 -18.268 1.00 0.00 O ATOM 253 NE2 GLN A 17 2.044 9.119 -19.957 1.00 0.00 N ATOM 0 H GLN A 17 5.612 10.715 -15.184 1.00 0.00 H new ATOM 0 HA GLN A 17 4.393 12.408 -17.087 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.777 9.911 -17.243 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.415 9.701 -16.160 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.917 10.854 -17.760 1.00 0.00 H new ATOM 0 HG3 GLN A 17 3.269 11.189 -18.824 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.712 9.997 -20.356 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.891 8.242 -20.455 1.00 0.00 H new ATOM 262 N LYS A 18 2.715 11.755 -14.297 1.00 0.00 N ATOM 263 CA LYS A 18 1.598 12.162 -13.462 1.00 0.00 C ATOM 264 C LYS A 18 1.704 13.648 -13.133 1.00 0.00 C ATOM 265 O LYS A 18 0.744 14.379 -13.351 1.00 0.00 O ATOM 266 CB LYS A 18 1.493 11.276 -12.205 1.00 0.00 C ATOM 267 CG LYS A 18 1.124 9.801 -12.488 1.00 0.00 C ATOM 268 CD LYS A 18 0.209 9.214 -11.405 1.00 0.00 C ATOM 269 CE LYS A 18 0.897 9.073 -10.040 1.00 0.00 C ATOM 270 NZ LYS A 18 1.966 8.058 -10.044 1.00 0.00 N ATOM 0 H LYS A 18 3.317 11.053 -13.867 1.00 0.00 H new ATOM 0 HA LYS A 18 0.668 12.018 -14.013 1.00 0.00 H new ATOM 0 HB2 LYS A 18 2.446 11.304 -11.676 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.745 11.703 -11.537 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.629 9.732 -13.456 1.00 0.00 H new ATOM 0 HG3 LYS A 18 2.035 9.206 -12.553 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.669 9.850 -11.297 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.144 8.235 -11.729 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.317 10.036 -9.748 1.00 0.00 H new ATOM 0 HE3 LYS A 18 0.153 8.808 -9.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.905 7.486 -9.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 1.856 7.442 -10.875 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.892 8.529 -10.083 1.00 0.00 H new ATOM 284 N PHE A 19 2.858 14.106 -12.638 1.00 0.00 N ATOM 285 CA PHE A 19 3.052 15.522 -12.334 1.00 0.00 C ATOM 286 C PHE A 19 2.901 16.381 -13.602 1.00 0.00 C ATOM 287 O PHE A 19 2.266 17.432 -13.572 1.00 0.00 O ATOM 288 CB PHE A 19 4.417 15.757 -11.655 1.00 0.00 C ATOM 289 CG PHE A 19 4.931 17.177 -11.835 1.00 0.00 C ATOM 290 CD1 PHE A 19 5.612 17.503 -13.019 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.721 18.174 -10.862 1.00 0.00 C ATOM 292 CE1 PHE A 19 6.063 18.809 -13.230 1.00 0.00 C ATOM 293 CE2 PHE A 19 5.190 19.484 -11.076 1.00 0.00 C ATOM 294 CZ PHE A 19 5.862 19.795 -12.269 1.00 0.00 C ATOM 0 H PHE A 19 3.667 13.517 -12.441 1.00 0.00 H new ATOM 0 HA PHE A 19 2.276 15.829 -11.632 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.330 15.540 -10.590 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.146 15.058 -12.064 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.787 16.744 -13.767 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.198 17.932 -9.948 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.573 19.056 -14.149 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.034 20.246 -10.327 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.223 20.798 -12.441 1.00 0.00 H new ATOM 304 N PHE A 20 3.503 15.941 -14.715 1.00 0.00 N ATOM 305 CA PHE A 20 3.477 16.669 -15.983 1.00 0.00 C ATOM 306 C PHE A 20 2.011 16.918 -16.362 1.00 0.00 C ATOM 307 O PHE A 20 1.609 18.051 -16.624 1.00 0.00 O ATOM 308 CB PHE A 20 4.259 15.867 -17.032 1.00 0.00 C ATOM 309 CG PHE A 20 4.190 16.305 -18.475 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.587 17.602 -18.837 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.749 15.403 -19.465 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.549 17.999 -20.182 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.713 15.800 -20.810 1.00 0.00 C ATOM 314 CZ PHE A 20 4.117 17.096 -21.168 1.00 0.00 C ATOM 0 H PHE A 20 4.024 15.065 -14.757 1.00 0.00 H new ATOM 0 HA PHE A 20 3.962 17.642 -15.911 1.00 0.00 H new ATOM 0 HB2 PHE A 20 5.308 15.868 -16.735 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.915 14.834 -16.983 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.922 18.295 -18.079 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.439 14.406 -19.188 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.852 18.998 -20.459 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.375 15.110 -21.569 1.00 0.00 H new ATOM 0 HZ PHE A 20 4.096 17.400 -22.204 1.00 0.00 H new ATOM 324 N LEU A 21 1.202 15.851 -16.344 1.00 0.00 N ATOM 325 CA LEU A 21 -0.229 15.912 -16.607 1.00 0.00 C ATOM 326 C LEU A 21 -0.947 16.729 -15.540 1.00 0.00 C ATOM 327 O LEU A 21 -1.909 17.423 -15.857 1.00 0.00 O ATOM 328 CB LEU A 21 -0.815 14.487 -16.666 1.00 0.00 C ATOM 329 CG LEU A 21 -1.202 13.965 -18.060 1.00 0.00 C ATOM 330 CD1 LEU A 21 -1.389 12.445 -17.946 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.494 14.665 -18.503 1.00 0.00 C ATOM 0 H LEU A 21 1.536 14.908 -16.142 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.379 16.403 -17.569 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.088 13.800 -16.234 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.700 14.455 -16.031 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.435 14.174 -18.806 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.665 12.038 -18.919 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -0.457 11.988 -17.613 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.178 12.228 -17.225 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -2.782 14.306 -19.491 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.289 14.446 -17.791 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.329 15.742 -18.543 1.00 0.00 H new ATOM 343 N GLU A 22 -0.494 16.659 -14.285 1.00 0.00 N ATOM 344 CA GLU A 22 -1.097 17.426 -13.208 1.00 0.00 C ATOM 345 C GLU A 22 -0.983 18.915 -13.540 1.00 0.00 C ATOM 346 O GLU A 22 -1.908 19.657 -13.244 1.00 0.00 O ATOM 347 CB GLU A 22 -0.470 17.069 -11.849 1.00 0.00 C ATOM 348 CG GLU A 22 -1.243 17.645 -10.658 1.00 0.00 C ATOM 349 CD GLU A 22 -0.739 17.036 -9.351 1.00 0.00 C ATOM 350 OE1 GLU A 22 -1.015 15.835 -9.143 1.00 0.00 O ATOM 351 OE2 GLU A 22 -0.076 17.764 -8.580 1.00 0.00 O ATOM 0 H GLU A 22 0.291 16.075 -13.996 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.154 17.174 -13.120 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.421 15.984 -11.752 1.00 0.00 H new ATOM 0 HB3 GLU A 22 0.555 17.438 -11.821 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.127 18.728 -10.630 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.308 17.442 -10.775 1.00 0.00 H new ATOM 358 N GLU A 23 0.116 19.352 -14.170 1.00 0.00 N ATOM 359 CA GLU A 23 0.333 20.743 -14.551 1.00 0.00 C ATOM 360 C GLU A 23 -0.452 21.088 -15.810 1.00 0.00 C ATOM 361 O GLU A 23 -1.120 22.117 -15.832 1.00 0.00 O ATOM 362 CB GLU A 23 1.817 21.051 -14.728 1.00 0.00 C ATOM 363 CG GLU A 23 2.512 21.142 -13.367 1.00 0.00 C ATOM 364 CD GLU A 23 3.746 22.016 -13.492 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.579 21.677 -14.360 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.809 23.021 -12.748 1.00 0.00 O ATOM 0 H GLU A 23 0.886 18.736 -14.430 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.035 21.370 -13.738 1.00 0.00 H new ATOM 0 HB2 GLU A 23 2.286 20.274 -15.331 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.938 21.990 -15.268 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.831 21.559 -12.625 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.791 20.147 -13.021 1.00 0.00 H new ATOM 373 N ILE A 24 -0.389 20.233 -16.840 1.00 0.00 N ATOM 374 CA ILE A 24 -1.151 20.423 -18.084 1.00 0.00 C ATOM 375 C ILE A 24 -2.622 20.709 -17.686 1.00 0.00 C ATOM 376 O ILE A 24 -3.247 21.680 -18.137 1.00 0.00 O ATOM 377 CB ILE A 24 -0.990 19.183 -19.047 1.00 0.00 C ATOM 378 CG1 ILE A 24 0.097 19.312 -20.158 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.304 18.671 -19.657 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.251 18.616 -21.486 1.00 0.00 C ATOM 0 H ILE A 24 0.189 19.393 -16.836 1.00 0.00 H new ATOM 0 HA ILE A 24 -0.770 21.270 -18.655 1.00 0.00 H new ATOM 0 HB ILE A 24 -0.625 18.432 -18.346 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.273 20.370 -20.354 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.032 18.898 -19.781 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.097 17.819 -20.304 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -2.981 18.365 -18.859 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.768 19.466 -20.241 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.563 18.760 -22.196 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.396 17.550 -21.311 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.167 19.045 -21.892 1.00 0.00 H new ATOM 392 N GLN A 25 -3.161 19.845 -16.810 1.00 0.00 N ATOM 393 CA GLN A 25 -4.545 19.935 -16.348 1.00 0.00 C ATOM 394 C GLN A 25 -4.776 21.087 -15.379 1.00 0.00 C ATOM 395 O GLN A 25 -5.708 21.857 -15.575 1.00 0.00 O ATOM 396 CB GLN A 25 -4.995 18.607 -15.711 1.00 0.00 C ATOM 397 CG GLN A 25 -5.052 17.383 -16.644 1.00 0.00 C ATOM 398 CD GLN A 25 -5.415 16.143 -15.838 1.00 0.00 C ATOM 399 OE1 GLN A 25 -6.588 15.796 -15.709 1.00 0.00 O ATOM 400 NE2 GLN A 25 -4.400 15.485 -15.281 1.00 0.00 N ATOM 0 H GLN A 25 -2.643 19.065 -16.405 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.151 20.137 -17.232 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.319 18.377 -14.887 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -5.985 18.754 -15.279 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -5.789 17.547 -17.430 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -4.089 17.241 -17.134 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -3.444 15.813 -15.417 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -4.579 14.653 -14.718 1.00 0.00 H new ATOM 409 N LEU A 26 -3.944 21.200 -14.342 1.00 0.00 N ATOM 410 CA LEU A 26 -4.036 22.257 -13.329 1.00 0.00 C ATOM 411 C LEU A 26 -4.088 23.608 -14.039 1.00 0.00 C ATOM 412 O LEU A 26 -4.948 24.426 -13.732 1.00 0.00 O ATOM 413 CB LEU A 26 -2.886 22.137 -12.311 1.00 0.00 C ATOM 414 CG LEU A 26 -2.697 23.179 -11.202 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.480 24.616 -11.675 1.00 0.00 C ATOM 416 CD2 LEU A 26 -3.852 23.096 -10.219 1.00 0.00 C ATOM 0 H LEU A 26 -3.175 20.550 -14.178 1.00 0.00 H new ATOM 0 HA LEU A 26 -4.951 22.155 -12.745 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.992 21.168 -11.823 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.958 22.107 -12.881 1.00 0.00 H new ATOM 0 HG LEU A 26 -1.758 22.918 -10.714 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.358 25.269 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.585 24.664 -12.295 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.342 24.942 -12.257 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.714 23.838 -9.432 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -4.789 23.290 -10.741 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -3.883 22.100 -9.777 1.00 0.00 H new ATOM 428 N GLY A 27 -3.192 23.828 -15.006 1.00 0.00 N ATOM 429 CA GLY A 27 -3.162 25.048 -15.794 1.00 0.00 C ATOM 430 C GLY A 27 -4.498 25.218 -16.495 1.00 0.00 C ATOM 431 O GLY A 27 -5.191 26.190 -16.207 1.00 0.00 O ATOM 0 H GLY A 27 -2.467 23.157 -15.260 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -2.962 25.906 -15.152 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.356 25.003 -16.526 1.00 0.00 H new ATOM 435 N GLU A 28 -4.884 24.294 -17.392 1.00 0.00 N ATOM 436 CA GLU A 28 -6.180 24.445 -18.064 1.00 0.00 C ATOM 437 C GLU A 28 -7.333 24.776 -17.093 1.00 0.00 C ATOM 438 O GLU A 28 -8.156 25.643 -17.369 1.00 0.00 O ATOM 439 CB GLU A 28 -6.515 23.199 -18.884 1.00 0.00 C ATOM 440 CG GLU A 28 -7.649 23.522 -19.876 1.00 0.00 C ATOM 441 CD GLU A 28 -8.367 22.279 -20.365 1.00 0.00 C ATOM 442 OE1 GLU A 28 -8.529 21.360 -19.539 1.00 0.00 O ATOM 443 OE2 GLU A 28 -8.759 22.279 -21.552 1.00 0.00 O ATOM 0 H GLU A 28 -4.343 23.471 -17.658 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.079 25.300 -18.733 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.632 22.859 -19.424 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.817 22.387 -18.223 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.367 24.187 -19.397 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.237 24.059 -20.730 1.00 0.00 H new ATOM 450 N GLU A 29 -7.379 24.085 -15.955 1.00 0.00 N ATOM 451 CA GLU A 29 -8.387 24.247 -14.908 1.00 0.00 C ATOM 452 C GLU A 29 -8.312 25.635 -14.260 1.00 0.00 C ATOM 453 O GLU A 29 -9.340 26.260 -14.019 1.00 0.00 O ATOM 454 CB GLU A 29 -8.259 23.108 -13.884 1.00 0.00 C ATOM 455 CG GLU A 29 -9.438 22.987 -12.910 1.00 0.00 C ATOM 456 CD GLU A 29 -10.052 21.592 -12.981 1.00 0.00 C ATOM 457 OE1 GLU A 29 -10.940 21.398 -13.838 1.00 0.00 O ATOM 458 OE2 GLU A 29 -9.578 20.706 -12.238 1.00 0.00 O ATOM 0 H GLU A 29 -6.689 23.369 -15.728 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.378 24.183 -15.358 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.150 22.166 -14.421 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.344 23.255 -13.310 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.100 23.190 -11.894 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.193 23.735 -13.150 1.00 0.00 H new ATOM 465 N LEU A 30 -7.112 26.156 -13.990 1.00 0.00 N ATOM 466 CA LEU A 30 -6.971 27.493 -13.427 1.00 0.00 C ATOM 467 C LEU A 30 -7.438 28.506 -14.471 1.00 0.00 C ATOM 468 O LEU A 30 -8.114 29.476 -14.135 1.00 0.00 O ATOM 469 CB LEU A 30 -5.522 27.759 -12.973 1.00 0.00 C ATOM 470 CG LEU A 30 -5.195 27.473 -11.492 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.723 27.825 -11.246 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.020 28.328 -10.516 1.00 0.00 C ATOM 0 H LEU A 30 -6.230 25.671 -14.153 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.590 27.587 -12.535 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.856 27.156 -13.591 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.288 28.804 -13.177 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.424 26.422 -11.314 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.472 27.630 -10.204 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.090 27.216 -11.892 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.559 28.880 -11.467 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.743 28.080 -9.491 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.821 29.384 -10.700 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.081 28.127 -10.664 1.00 0.00 H new ATOM 484 N LEU A 31 -7.120 28.272 -15.746 1.00 0.00 N ATOM 485 CA LEU A 31 -7.577 29.137 -16.834 1.00 0.00 C ATOM 486 C LEU A 31 -9.089 29.042 -16.947 1.00 0.00 C ATOM 487 O LEU A 31 -9.747 30.033 -17.253 1.00 0.00 O ATOM 488 CB LEU A 31 -6.903 28.730 -18.127 1.00 0.00 C ATOM 489 CG LEU A 31 -5.452 29.213 -18.183 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.678 29.311 -16.865 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.742 28.244 -19.106 1.00 0.00 C ATOM 0 H LEU A 31 -6.545 27.487 -16.051 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.310 30.173 -16.626 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.930 27.645 -18.226 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.457 29.141 -18.971 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.482 30.250 -18.518 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.667 29.666 -17.063 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.184 30.008 -16.197 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.632 28.328 -16.396 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.693 28.528 -19.195 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.812 27.236 -18.698 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.210 28.270 -20.090 1.00 0.00 H new ATOM 503 N ALA A 32 -9.634 27.861 -16.642 1.00 0.00 N ATOM 504 CA ALA A 32 -11.072 27.650 -16.593 1.00 0.00 C ATOM 505 C ALA A 32 -11.714 28.616 -15.582 1.00 0.00 C ATOM 506 O ALA A 32 -12.906 28.899 -15.680 1.00 0.00 O ATOM 507 CB ALA A 32 -11.415 26.184 -16.288 1.00 0.00 C ATOM 0 H ALA A 32 -9.086 27.029 -16.423 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.489 27.867 -17.577 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.498 26.062 -16.259 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -10.999 25.544 -17.066 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -10.992 25.905 -15.323 1.00 0.00 H new ATOM 513 N GLN A 33 -10.915 29.143 -14.639 1.00 0.00 N ATOM 514 CA GLN A 33 -11.319 30.123 -13.643 1.00 0.00 C ATOM 515 C GLN A 33 -10.977 31.508 -14.201 1.00 0.00 C ATOM 516 O GLN A 33 -11.751 32.447 -14.042 1.00 0.00 O ATOM 517 CB GLN A 33 -10.627 29.820 -12.300 1.00 0.00 C ATOM 518 CG GLN A 33 -11.592 29.839 -11.105 1.00 0.00 C ATOM 519 CD GLN A 33 -11.759 31.217 -10.462 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.533 31.369 -9.266 1.00 0.00 O ATOM 521 NE2 GLN A 33 -12.161 32.231 -11.229 1.00 0.00 N ATOM 0 H GLN A 33 -9.933 28.881 -14.555 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.390 30.085 -13.443 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.149 28.842 -12.357 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.837 30.552 -12.132 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.568 29.482 -11.434 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.234 29.138 -10.351 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -12.343 32.079 -12.221 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -12.287 33.158 -10.824 1.00 0.00 H new ATOM 530 N GLY A 34 -9.824 31.603 -14.873 1.00 0.00 N ATOM 531 CA GLY A 34 -9.309 32.788 -15.540 1.00 0.00 C ATOM 532 C GLY A 34 -7.855 33.118 -15.202 1.00 0.00 C ATOM 533 O GLY A 34 -7.410 34.214 -15.540 1.00 0.00 O ATOM 0 H GLY A 34 -9.195 30.805 -14.967 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.397 32.651 -16.618 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.934 33.641 -15.275 1.00 0.00 H new ATOM 537 N ASP A 35 -7.100 32.223 -14.542 1.00 0.00 N ATOM 538 CA ASP A 35 -5.716 32.545 -14.165 1.00 0.00 C ATOM 539 C ASP A 35 -4.676 32.224 -15.251 1.00 0.00 C ATOM 540 O ASP A 35 -3.760 31.431 -15.044 1.00 0.00 O ATOM 541 CB ASP A 35 -5.372 31.959 -12.790 1.00 0.00 C ATOM 542 CG ASP A 35 -4.112 32.571 -12.171 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.341 33.227 -12.906 1.00 0.00 O ATOM 544 OD2 ASP A 35 -3.932 32.347 -10.955 1.00 0.00 O ATOM 0 H ASP A 35 -7.416 31.294 -14.265 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.661 33.630 -14.076 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.213 32.115 -12.115 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.236 30.882 -12.885 1.00 0.00 H new ATOM 549 N TYR A 36 -4.819 32.880 -16.406 1.00 0.00 N ATOM 550 CA TYR A 36 -3.963 32.822 -17.591 1.00 0.00 C ATOM 551 C TYR A 36 -2.483 32.884 -17.228 1.00 0.00 C ATOM 552 O TYR A 36 -1.665 32.150 -17.781 1.00 0.00 O ATOM 553 CB TYR A 36 -4.362 33.952 -18.548 1.00 0.00 C ATOM 554 CG TYR A 36 -5.862 34.077 -18.752 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.582 33.007 -19.315 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.542 35.249 -18.368 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.971 33.103 -19.490 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.932 35.345 -18.546 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.647 34.273 -19.104 1.00 0.00 C ATOM 560 OH TYR A 36 -9.997 34.369 -19.268 1.00 0.00 O ATOM 0 H TYR A 36 -5.602 33.518 -16.546 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.110 31.863 -18.088 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.977 34.896 -18.163 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.885 33.784 -19.514 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.063 32.108 -19.614 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.995 36.074 -17.937 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.520 32.279 -19.921 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.452 36.245 -18.253 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.304 35.243 -18.948 1.00 0.00 H new ATOM 570 N GLU A 37 -2.170 33.762 -16.275 1.00 0.00 N ATOM 571 CA GLU A 37 -0.837 33.986 -15.738 1.00 0.00 C ATOM 572 C GLU A 37 -0.280 32.659 -15.239 1.00 0.00 C ATOM 573 O GLU A 37 0.827 32.256 -15.601 1.00 0.00 O ATOM 574 CB GLU A 37 -0.869 35.127 -14.693 1.00 0.00 C ATOM 575 CG GLU A 37 -0.194 34.872 -13.336 1.00 0.00 C ATOM 576 CD GLU A 37 1.287 34.518 -13.424 1.00 0.00 C ATOM 577 OE1 GLU A 37 1.966 35.101 -14.297 1.00 0.00 O ATOM 578 OE2 GLU A 37 1.712 33.666 -12.613 1.00 0.00 O ATOM 0 H GLU A 37 -2.873 34.360 -15.840 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.145 34.334 -16.505 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.402 36.005 -15.140 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.912 35.381 -14.506 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.306 35.761 -12.716 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.719 34.062 -12.830 1.00 0.00 H new ATOM 585 N LYS A 38 -1.077 31.976 -14.425 1.00 0.00 N ATOM 586 CA LYS A 38 -0.684 30.685 -13.889 1.00 0.00 C ATOM 587 C LYS A 38 -0.605 29.624 -14.974 1.00 0.00 C ATOM 588 O LYS A 38 0.235 28.736 -14.874 1.00 0.00 O ATOM 589 CB LYS A 38 -1.563 30.250 -12.713 1.00 0.00 C ATOM 590 CG LYS A 38 -1.043 30.849 -11.401 1.00 0.00 C ATOM 591 CD LYS A 38 0.180 30.058 -10.901 1.00 0.00 C ATOM 592 CE LYS A 38 1.180 30.933 -10.139 1.00 0.00 C ATOM 593 NZ LYS A 38 2.178 31.539 -11.043 1.00 0.00 N ATOM 0 H LYS A 38 -1.997 32.297 -14.124 1.00 0.00 H new ATOM 0 HA LYS A 38 0.323 30.803 -13.489 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.591 30.569 -12.883 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.575 29.162 -12.643 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.772 31.894 -11.552 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.830 30.830 -10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.156 29.249 -10.252 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.682 29.597 -11.752 1.00 0.00 H new ATOM 0 HE2 LYS A 38 0.644 31.720 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.689 30.332 -9.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.857 32.096 -10.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.683 30.788 -11.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 1.697 32.160 -11.725 1.00 0.00 H new ATOM 607 N GLY A 39 -1.435 29.704 -16.019 1.00 0.00 N ATOM 608 CA GLY A 39 -1.343 28.733 -17.098 1.00 0.00 C ATOM 609 C GLY A 39 -0.007 28.862 -17.809 1.00 0.00 C ATOM 610 O GLY A 39 0.581 27.854 -18.183 1.00 0.00 O ATOM 0 H GLY A 39 -2.158 30.414 -16.135 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.455 27.725 -16.700 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.157 28.888 -17.807 1.00 0.00 H new ATOM 614 N VAL A 40 0.479 30.094 -17.991 1.00 0.00 N ATOM 615 CA VAL A 40 1.755 30.313 -18.658 1.00 0.00 C ATOM 616 C VAL A 40 2.870 29.670 -17.835 1.00 0.00 C ATOM 617 O VAL A 40 3.689 28.926 -18.369 1.00 0.00 O ATOM 618 CB VAL A 40 2.016 31.823 -18.896 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.455 32.056 -19.366 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.082 32.456 -19.942 1.00 0.00 C ATOM 0 H VAL A 40 0.008 30.946 -17.686 1.00 0.00 H new ATOM 0 HA VAL A 40 1.729 29.844 -19.641 1.00 0.00 H new ATOM 0 HB VAL A 40 1.826 32.297 -17.933 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.617 33.122 -19.527 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.149 31.694 -18.607 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.625 31.518 -20.299 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.325 33.513 -20.054 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.212 31.950 -20.899 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.047 32.354 -19.615 1.00 0.00 H new ATOM 630 N ASP A 41 2.889 29.966 -16.536 1.00 0.00 N ATOM 631 CA ASP A 41 3.883 29.470 -15.592 1.00 0.00 C ATOM 632 C ASP A 41 3.856 27.943 -15.507 1.00 0.00 C ATOM 633 O ASP A 41 4.869 27.278 -15.709 1.00 0.00 O ATOM 634 CB ASP A 41 3.662 30.160 -14.231 1.00 0.00 C ATOM 635 CG ASP A 41 4.344 29.484 -13.052 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.502 29.046 -13.217 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.694 29.466 -11.984 1.00 0.00 O ATOM 0 H ASP A 41 2.194 30.574 -16.102 1.00 0.00 H new ATOM 0 HA ASP A 41 4.886 29.721 -15.938 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.020 31.187 -14.299 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.591 30.208 -14.034 1.00 0.00 H new ATOM 642 N HIS A 42 2.690 27.384 -15.210 1.00 0.00 N ATOM 643 CA HIS A 42 2.522 25.948 -15.067 1.00 0.00 C ATOM 644 C HIS A 42 2.807 25.234 -16.372 1.00 0.00 C ATOM 645 O HIS A 42 3.350 24.129 -16.347 1.00 0.00 O ATOM 646 CB HIS A 42 1.150 25.571 -14.501 1.00 0.00 C ATOM 647 CG HIS A 42 1.089 25.756 -13.008 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.894 25.030 -12.140 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.335 26.575 -12.206 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.596 25.435 -10.894 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.648 26.377 -10.864 1.00 0.00 N ATOM 0 H HIS A 42 1.833 27.917 -15.062 1.00 0.00 H new ATOM 0 HA HIS A 42 3.256 25.612 -14.335 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.382 26.182 -14.974 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.928 24.533 -14.748 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.582 24.323 -12.399 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.401 27.278 -12.567 1.00 0.00 H new ATOM 0 HE1 HIS A 42 2.073 25.041 -10.009 1.00 0.00 H new ATOM 659 N LEU A 43 2.475 25.847 -17.515 1.00 0.00 N ATOM 660 CA LEU A 43 2.798 25.169 -18.754 1.00 0.00 C ATOM 661 C LEU A 43 4.315 25.228 -18.903 1.00 0.00 C ATOM 662 O LEU A 43 4.921 24.225 -19.258 1.00 0.00 O ATOM 663 CB LEU A 43 2.022 25.715 -19.962 1.00 0.00 C ATOM 664 CG LEU A 43 1.845 24.632 -21.041 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.662 23.699 -20.724 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.563 25.287 -22.396 1.00 0.00 C ATOM 0 H LEU A 43 2.013 26.752 -17.600 1.00 0.00 H new ATOM 0 HA LEU A 43 2.476 24.128 -18.719 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.045 26.074 -19.639 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.552 26.569 -20.383 1.00 0.00 H new ATOM 0 HG LEU A 43 2.768 24.053 -21.065 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.570 22.948 -21.509 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.834 23.205 -19.768 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.257 24.282 -20.670 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.439 24.514 -23.155 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.651 25.881 -22.330 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.398 25.933 -22.669 1.00 0.00 H new ATOM 678 N THR A 44 4.941 26.374 -18.591 1.00 0.00 N ATOM 679 CA THR A 44 6.399 26.499 -18.672 1.00 0.00 C ATOM 680 C THR A 44 7.073 25.387 -17.854 1.00 0.00 C ATOM 681 O THR A 44 8.094 24.821 -18.252 1.00 0.00 O ATOM 682 CB THR A 44 6.883 27.897 -18.252 1.00 0.00 C ATOM 683 OG1 THR A 44 6.356 28.859 -19.139 1.00 0.00 O ATOM 684 CG2 THR A 44 8.410 28.002 -18.317 1.00 0.00 C ATOM 0 H THR A 44 4.461 27.220 -18.283 1.00 0.00 H new ATOM 0 HA THR A 44 6.691 26.378 -19.715 1.00 0.00 H new ATOM 0 HB THR A 44 6.549 28.069 -17.229 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.402 28.986 -18.955 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.719 29.002 -18.014 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.854 27.266 -17.646 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.745 27.812 -19.337 1.00 0.00 H new ATOM 692 N ASN A 45 6.477 25.062 -16.706 1.00 0.00 N ATOM 693 CA ASN A 45 6.980 24.012 -15.827 1.00 0.00 C ATOM 694 C ASN A 45 6.799 22.657 -16.515 1.00 0.00 C ATOM 695 O ASN A 45 7.705 21.817 -16.480 1.00 0.00 O ATOM 696 CB ASN A 45 6.349 24.065 -14.432 1.00 0.00 C ATOM 697 CG ASN A 45 6.987 25.117 -13.529 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.862 24.803 -12.725 1.00 0.00 O ATOM 699 ND2 ASN A 45 6.559 26.371 -13.649 1.00 0.00 N ATOM 0 H ASN A 45 5.633 25.520 -16.362 1.00 0.00 H new ATOM 0 HA ASN A 45 8.044 24.171 -15.655 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.284 24.275 -14.529 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.440 23.086 -13.961 1.00 0.00 H new ATOM 0 HD21 ASN A 45 6.959 27.105 -13.064 1.00 0.00 H new ATOM 0 HD22 ASN A 45 5.831 26.599 -14.326 1.00 0.00 H new ATOM 706 N ALA A 46 5.653 22.454 -17.184 1.00 0.00 N ATOM 707 CA ALA A 46 5.390 21.235 -17.930 1.00 0.00 C ATOM 708 C ALA A 46 6.556 21.011 -18.913 1.00 0.00 C ATOM 709 O ALA A 46 7.093 19.908 -19.007 1.00 0.00 O ATOM 710 CB ALA A 46 3.993 21.282 -18.580 1.00 0.00 C ATOM 0 H ALA A 46 4.892 23.133 -17.217 1.00 0.00 H new ATOM 0 HA ALA A 46 5.353 20.365 -17.274 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.818 20.359 -19.133 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.234 21.390 -17.805 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.938 22.130 -19.262 1.00 0.00 H new ATOM 716 N ILE A 47 6.991 22.073 -19.612 1.00 0.00 N ATOM 717 CA ILE A 47 8.132 22.007 -20.530 1.00 0.00 C ATOM 718 C ILE A 47 9.430 21.698 -19.789 1.00 0.00 C ATOM 719 O ILE A 47 10.288 20.993 -20.317 1.00 0.00 O ATOM 720 CB ILE A 47 8.310 23.295 -21.375 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.219 23.470 -22.456 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.713 23.372 -22.017 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.898 23.957 -21.868 1.00 0.00 C ATOM 0 H ILE A 47 6.561 22.996 -19.554 1.00 0.00 H new ATOM 0 HA ILE A 47 7.906 21.191 -21.217 1.00 0.00 H new ATOM 0 HB ILE A 47 8.202 24.120 -20.671 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.565 24.181 -23.207 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.059 22.520 -22.966 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.796 24.289 -22.600 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.472 23.369 -21.235 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.862 22.512 -22.670 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.163 24.065 -22.665 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.537 23.234 -21.137 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.050 24.920 -21.381 1.00 0.00 H new ATOM 735 N ALA A 48 9.587 22.242 -18.585 1.00 0.00 N ATOM 736 CA ALA A 48 10.796 22.077 -17.788 1.00 0.00 C ATOM 737 C ALA A 48 11.012 20.625 -17.405 1.00 0.00 C ATOM 738 O ALA A 48 12.155 20.196 -17.269 1.00 0.00 O ATOM 739 CB ALA A 48 10.807 22.993 -16.564 1.00 0.00 C ATOM 0 H ALA A 48 8.873 22.813 -18.133 1.00 0.00 H new ATOM 0 HA ALA A 48 11.636 22.379 -18.413 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.726 22.836 -16.000 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.753 24.033 -16.887 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.950 22.765 -15.931 1.00 0.00 H new ATOM 745 N VAL A 49 9.920 19.873 -17.252 1.00 0.00 N ATOM 746 CA VAL A 49 10.005 18.470 -16.897 1.00 0.00 C ATOM 747 C VAL A 49 9.854 17.575 -18.122 1.00 0.00 C ATOM 748 O VAL A 49 10.237 16.408 -18.063 1.00 0.00 O ATOM 749 CB VAL A 49 8.975 18.141 -15.814 1.00 0.00 C ATOM 750 CG1 VAL A 49 9.122 19.129 -14.655 1.00 0.00 C ATOM 751 CG2 VAL A 49 7.519 18.124 -16.292 1.00 0.00 C ATOM 0 H VAL A 49 8.968 20.221 -17.370 1.00 0.00 H new ATOM 0 HA VAL A 49 10.997 18.272 -16.490 1.00 0.00 H new ATOM 0 HB VAL A 49 9.192 17.120 -15.499 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.389 18.896 -13.883 1.00 0.00 H new ATOM 0 HG12 VAL A 49 10.126 19.053 -14.237 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.956 20.143 -15.018 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.864 17.882 -15.455 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.254 19.105 -16.688 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.401 17.374 -17.074 1.00 0.00 H new ATOM 761 N CYS A 50 9.313 18.100 -19.230 1.00 0.00 N ATOM 762 CA CYS A 50 9.148 17.305 -20.440 1.00 0.00 C ATOM 763 C CYS A 50 10.443 17.322 -21.249 1.00 0.00 C ATOM 764 O CYS A 50 10.943 16.268 -21.634 1.00 0.00 O ATOM 765 CB CYS A 50 7.933 17.794 -21.224 1.00 0.00 C ATOM 766 SG CYS A 50 7.792 16.937 -22.809 1.00 0.00 S ATOM 0 H CYS A 50 8.987 19.063 -19.307 1.00 0.00 H new ATOM 0 HA CYS A 50 8.952 16.263 -20.187 1.00 0.00 H new ATOM 0 HB2 CYS A 50 7.029 17.631 -20.638 1.00 0.00 H new ATOM 0 HB3 CYS A 50 8.014 18.868 -21.394 1.00 0.00 H new ATOM 0 HG CYS A 50 6.748 17.375 -23.448 1.00 0.00 H new ATOM 772 N GLY A 51 10.991 18.514 -21.507 1.00 0.00 N ATOM 773 CA GLY A 51 12.232 18.667 -22.259 1.00 0.00 C ATOM 774 C GLY A 51 12.037 18.495 -23.767 1.00 0.00 C ATOM 775 O GLY A 51 13.003 18.565 -24.524 1.00 0.00 O ATOM 0 H GLY A 51 10.584 19.397 -21.199 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.652 19.653 -22.062 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.958 17.935 -21.905 1.00 0.00 H new ATOM 779 N GLN A 52 10.791 18.288 -24.204 1.00 0.00 N ATOM 780 CA GLN A 52 10.402 18.127 -25.597 1.00 0.00 C ATOM 781 C GLN A 52 9.217 19.073 -25.817 1.00 0.00 C ATOM 782 O GLN A 52 8.117 18.614 -26.128 1.00 0.00 O ATOM 783 CB GLN A 52 10.066 16.650 -25.852 1.00 0.00 C ATOM 784 CG GLN A 52 10.029 16.326 -27.350 1.00 0.00 C ATOM 785 CD GLN A 52 11.427 16.214 -27.951 1.00 0.00 C ATOM 786 OE1 GLN A 52 12.092 15.194 -27.792 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.882 17.254 -28.652 1.00 0.00 N ATOM 0 H GLN A 52 9.998 18.226 -23.566 1.00 0.00 H new ATOM 0 HA GLN A 52 11.192 18.382 -26.303 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.807 16.019 -25.362 1.00 0.00 H new ATOM 0 HB3 GLN A 52 9.100 16.414 -25.405 1.00 0.00 H new ATOM 0 HG2 GLN A 52 9.493 15.389 -27.504 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.471 17.102 -27.874 1.00 0.00 H new ATOM 0 HE21 GLN A 52 11.303 18.086 -28.764 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.809 17.217 -29.076 1.00 0.00 H new ATOM 796 N PRO A 53 9.414 20.397 -25.644 1.00 0.00 N ATOM 797 CA PRO A 53 8.347 21.367 -25.791 1.00 0.00 C ATOM 798 C PRO A 53 7.606 21.248 -27.109 1.00 0.00 C ATOM 799 O PRO A 53 6.388 21.166 -27.108 1.00 0.00 O ATOM 800 CB PRO A 53 8.983 22.752 -25.635 1.00 0.00 C ATOM 801 CG PRO A 53 10.474 22.507 -25.840 1.00 0.00 C ATOM 802 CD PRO A 53 10.642 21.097 -25.282 1.00 0.00 C ATOM 0 HA PRO A 53 7.588 21.188 -25.029 1.00 0.00 H new ATOM 0 HB2 PRO A 53 8.591 23.455 -26.370 1.00 0.00 H new ATOM 0 HB3 PRO A 53 8.781 23.174 -24.651 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.757 22.566 -26.891 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.085 23.234 -25.304 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.516 20.606 -25.709 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.782 21.115 -24.201 1.00 0.00 H new ATOM 810 N GLN A 54 8.335 21.255 -28.221 1.00 0.00 N ATOM 811 CA GLN A 54 7.768 21.211 -29.565 1.00 0.00 C ATOM 812 C GLN A 54 6.797 20.048 -29.769 1.00 0.00 C ATOM 813 O GLN A 54 5.737 20.237 -30.366 1.00 0.00 O ATOM 814 CB GLN A 54 8.892 21.215 -30.614 1.00 0.00 C ATOM 815 CG GLN A 54 9.885 22.389 -30.479 1.00 0.00 C ATOM 816 CD GLN A 54 10.909 22.370 -31.610 1.00 0.00 C ATOM 817 OE1 GLN A 54 12.075 22.051 -31.392 1.00 0.00 O ATOM 818 NE2 GLN A 54 10.482 22.710 -32.826 1.00 0.00 N ATOM 0 H GLN A 54 9.354 21.292 -28.213 1.00 0.00 H new ATOM 0 HA GLN A 54 7.168 22.112 -29.695 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.444 20.278 -30.541 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.445 21.245 -31.608 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.341 23.334 -30.492 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.397 22.329 -29.519 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.506 22.969 -32.970 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.131 22.711 -33.613 1.00 0.00 H new ATOM 827 N GLN A 55 7.135 18.855 -29.266 1.00 0.00 N ATOM 828 CA GLN A 55 6.249 17.699 -29.390 1.00 0.00 C ATOM 829 C GLN A 55 4.924 18.005 -28.698 1.00 0.00 C ATOM 830 O GLN A 55 3.852 17.720 -29.231 1.00 0.00 O ATOM 831 CB GLN A 55 6.910 16.428 -28.829 1.00 0.00 C ATOM 832 CG GLN A 55 6.137 15.135 -29.127 1.00 0.00 C ATOM 833 CD GLN A 55 6.432 14.612 -30.531 1.00 0.00 C ATOM 834 OE1 GLN A 55 7.302 13.765 -30.710 1.00 0.00 O ATOM 835 NE2 GLN A 55 5.713 15.110 -31.533 1.00 0.00 N ATOM 0 H GLN A 55 8.009 18.669 -28.774 1.00 0.00 H new ATOM 0 HA GLN A 55 6.053 17.506 -30.445 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.915 16.341 -29.242 1.00 0.00 H new ATOM 0 HB3 GLN A 55 7.018 16.534 -27.749 1.00 0.00 H new ATOM 0 HG2 GLN A 55 6.402 14.375 -28.392 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.067 15.318 -29.024 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.998 15.813 -31.347 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.877 14.789 -32.487 1.00 0.00 H new ATOM 844 N LEU A 56 5.008 18.613 -27.516 1.00 0.00 N ATOM 845 CA LEU A 56 3.835 19.005 -26.769 1.00 0.00 C ATOM 846 C LEU A 56 3.114 20.140 -27.505 1.00 0.00 C ATOM 847 O LEU A 56 1.893 20.153 -27.571 1.00 0.00 O ATOM 848 CB LEU A 56 4.216 19.376 -25.320 1.00 0.00 C ATOM 849 CG LEU A 56 3.002 19.690 -24.436 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.160 18.432 -24.154 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.478 20.334 -23.129 1.00 0.00 C ATOM 0 H LEU A 56 5.891 18.843 -27.059 1.00 0.00 H new ATOM 0 HA LEU A 56 3.141 18.168 -26.700 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.777 18.553 -24.877 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.879 20.241 -25.336 1.00 0.00 H new ATOM 0 HG LEU A 56 2.358 20.388 -24.970 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.310 18.697 -23.525 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.800 18.017 -25.095 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.774 17.691 -23.642 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.617 20.558 -22.499 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.142 19.646 -22.605 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.014 21.256 -23.352 1.00 0.00 H new ATOM 863 N LEU A 57 3.832 21.105 -28.080 1.00 0.00 N ATOM 864 CA LEU A 57 3.188 22.209 -28.780 1.00 0.00 C ATOM 865 C LEU A 57 2.348 21.717 -29.954 1.00 0.00 C ATOM 866 O LEU A 57 1.249 22.234 -30.159 1.00 0.00 O ATOM 867 CB LEU A 57 4.175 23.315 -29.187 1.00 0.00 C ATOM 868 CG LEU A 57 4.932 24.018 -28.039 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.752 25.166 -28.635 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.033 24.510 -26.893 1.00 0.00 C ATOM 0 H LEU A 57 4.851 21.142 -28.074 1.00 0.00 H new ATOM 0 HA LEU A 57 2.504 22.672 -28.069 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.910 22.884 -29.867 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.627 24.072 -29.748 1.00 0.00 H new ATOM 0 HG LEU A 57 5.582 23.278 -27.573 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.295 25.676 -27.840 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.461 24.768 -29.361 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.084 25.872 -29.129 1.00 0.00 H new ATOM 0 HD21 LEU A 57 4.646 24.991 -26.131 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.308 25.226 -27.281 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.507 23.663 -26.454 1.00 0.00 H new ATOM 882 N GLN A 58 2.813 20.710 -30.707 1.00 0.00 N ATOM 883 CA GLN A 58 1.972 20.205 -31.784 1.00 0.00 C ATOM 884 C GLN A 58 0.740 19.549 -31.157 1.00 0.00 C ATOM 885 O GLN A 58 -0.362 19.719 -31.668 1.00 0.00 O ATOM 886 CB GLN A 58 2.711 19.318 -32.797 1.00 0.00 C ATOM 887 CG GLN A 58 3.425 18.105 -32.200 1.00 0.00 C ATOM 888 CD GLN A 58 3.994 17.206 -33.293 1.00 0.00 C ATOM 889 OE1 GLN A 58 5.104 17.423 -33.770 1.00 0.00 O ATOM 890 NE2 GLN A 58 3.246 16.173 -33.681 1.00 0.00 N ATOM 0 H GLN A 58 3.718 20.254 -30.596 1.00 0.00 H new ATOM 0 HA GLN A 58 1.651 21.041 -32.405 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.995 18.968 -33.540 1.00 0.00 H new ATOM 0 HB3 GLN A 58 3.444 19.929 -33.324 1.00 0.00 H new ATOM 0 HG2 GLN A 58 4.230 18.439 -31.545 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.728 17.536 -31.584 1.00 0.00 H new ATOM 0 HE21 GLN A 58 2.328 16.023 -33.263 1.00 0.00 H new ATOM 0 HE22 GLN A 58 3.592 15.533 -34.396 1.00 0.00 H new ATOM 899 N VAL A 59 0.920 18.837 -30.035 1.00 0.00 N ATOM 900 CA VAL A 59 -0.171 18.191 -29.313 1.00 0.00 C ATOM 901 C VAL A 59 -1.205 19.206 -28.830 1.00 0.00 C ATOM 902 O VAL A 59 -2.403 18.929 -28.867 1.00 0.00 O ATOM 903 CB VAL A 59 0.349 17.223 -28.223 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.210 17.591 -26.727 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.337 15.896 -28.405 1.00 0.00 C ATOM 0 H VAL A 59 1.834 18.696 -29.605 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.711 17.551 -30.011 1.00 0.00 H new ATOM 0 HB VAL A 59 1.425 17.246 -28.396 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.630 16.793 -26.115 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.746 18.520 -26.529 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.844 17.721 -26.481 1.00 0.00 H new ATOM 0 HG21 VAL A 59 0.015 15.197 -27.646 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.415 16.027 -28.306 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.109 15.501 -29.395 1.00 0.00 H new ATOM 915 N LEU A 60 -0.752 20.393 -28.422 1.00 0.00 N ATOM 916 CA LEU A 60 -1.643 21.442 -27.950 1.00 0.00 C ATOM 917 C LEU A 60 -2.302 22.161 -29.128 1.00 0.00 C ATOM 918 O LEU A 60 -3.429 22.621 -28.985 1.00 0.00 O ATOM 919 CB LEU A 60 -0.833 22.476 -27.154 1.00 0.00 C ATOM 920 CG LEU A 60 -0.688 22.225 -25.646 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.918 22.724 -24.872 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.487 20.767 -25.235 1.00 0.00 C ATOM 0 H LEU A 60 0.236 20.648 -28.411 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.411 20.985 -27.326 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.166 22.533 -27.587 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.297 23.452 -27.293 1.00 0.00 H new ATOM 0 HG LEU A 60 0.218 22.778 -25.398 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.782 22.530 -23.808 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.039 23.795 -25.033 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.807 22.201 -25.225 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.396 20.704 -24.151 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.342 20.175 -25.563 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.421 20.380 -25.698 1.00 0.00 H new ATOM 934 N GLN A 61 -1.647 22.267 -30.287 1.00 0.00 N ATOM 935 CA GLN A 61 -2.231 22.958 -31.436 1.00 0.00 C ATOM 936 C GLN A 61 -3.285 22.066 -32.084 1.00 0.00 C ATOM 937 O GLN A 61 -4.318 22.531 -32.560 1.00 0.00 O ATOM 938 CB GLN A 61 -1.128 23.337 -32.447 1.00 0.00 C ATOM 939 CG GLN A 61 -1.648 23.869 -33.796 1.00 0.00 C ATOM 940 CD GLN A 61 -0.514 24.385 -34.680 1.00 0.00 C ATOM 941 OE1 GLN A 61 0.622 23.933 -34.574 1.00 0.00 O ATOM 942 NE2 GLN A 61 -0.815 25.336 -35.564 1.00 0.00 N ATOM 0 H GLN A 61 -0.716 21.884 -30.453 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.710 23.878 -31.102 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.485 24.094 -31.997 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.507 22.461 -32.632 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -2.182 23.075 -34.318 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -2.364 24.672 -33.618 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -1.769 25.690 -35.627 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -0.091 25.709 -36.178 1.00 0.00 H new ATOM 951 N GLN A 62 -2.979 20.771 -32.092 1.00 0.00 N ATOM 952 CA GLN A 62 -3.758 19.691 -32.652 1.00 0.00 C ATOM 953 C GLN A 62 -5.031 19.459 -31.847 1.00 0.00 C ATOM 954 O GLN A 62 -6.093 19.246 -32.429 1.00 0.00 O ATOM 955 CB GLN A 62 -2.851 18.458 -32.650 1.00 0.00 C ATOM 956 CG GLN A 62 -3.588 17.181 -33.016 1.00 0.00 C ATOM 957 CD GLN A 62 -2.629 16.001 -33.127 1.00 0.00 C ATOM 958 OE1 GLN A 62 -2.304 15.558 -34.224 1.00 0.00 O ATOM 959 NE2 GLN A 62 -2.165 15.488 -31.987 1.00 0.00 N ATOM 0 H GLN A 62 -2.112 20.433 -31.673 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.086 19.923 -33.665 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.033 18.614 -33.354 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -2.404 18.343 -31.662 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.346 16.967 -32.262 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -4.110 17.318 -33.963 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.458 15.883 -31.093 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.517 14.700 -32.009 1.00 0.00 H new ATOM 968 N THR A 63 -4.926 19.487 -30.515 1.00 0.00 N ATOM 969 CA THR A 63 -6.071 19.234 -29.655 1.00 0.00 C ATOM 970 C THR A 63 -6.971 20.461 -29.528 1.00 0.00 C ATOM 971 O THR A 63 -8.190 20.311 -29.460 1.00 0.00 O ATOM 972 CB THR A 63 -5.611 18.684 -28.293 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.689 18.044 -27.641 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.066 19.795 -27.398 1.00 0.00 C ATOM 0 H THR A 63 -4.058 19.683 -30.016 1.00 0.00 H new ATOM 0 HA THR A 63 -6.687 18.465 -30.122 1.00 0.00 H new ATOM 0 HB THR A 63 -4.811 17.967 -28.477 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.577 18.122 -26.671 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.750 19.372 -26.444 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.214 20.269 -27.885 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.845 20.538 -27.225 1.00 0.00 H new ATOM 982 N LEU A 64 -6.383 21.663 -29.488 1.00 0.00 N ATOM 983 CA LEU A 64 -7.138 22.905 -29.318 1.00 0.00 C ATOM 984 C LEU A 64 -6.184 24.100 -29.413 1.00 0.00 C ATOM 985 O LEU A 64 -5.433 24.292 -28.462 1.00 0.00 O ATOM 986 CB LEU A 64 -7.786 22.880 -27.915 1.00 0.00 C ATOM 987 CG LEU A 64 -8.438 24.191 -27.449 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.656 24.556 -28.303 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.860 24.001 -25.987 1.00 0.00 C ATOM 0 H LEU A 64 -5.376 21.799 -29.572 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.901 22.995 -30.091 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.543 22.096 -27.901 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.023 22.599 -27.189 1.00 0.00 H new ATOM 0 HG LEU A 64 -7.724 25.008 -27.551 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.088 25.489 -27.941 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.349 24.677 -29.342 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.399 23.762 -28.235 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.328 24.915 -25.622 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -9.570 23.177 -25.917 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.982 23.776 -25.381 1.00 0.00 H new ATOM 1001 N PRO A 65 -6.181 24.916 -30.487 1.00 0.00 N ATOM 1002 CA PRO A 65 -5.287 26.069 -30.612 1.00 0.00 C ATOM 1003 C PRO A 65 -5.456 27.013 -29.409 1.00 0.00 C ATOM 1004 O PRO A 65 -6.471 27.701 -29.327 1.00 0.00 O ATOM 1005 CB PRO A 65 -5.637 26.735 -31.950 1.00 0.00 C ATOM 1006 CG PRO A 65 -7.036 26.217 -32.271 1.00 0.00 C ATOM 1007 CD PRO A 65 -7.036 24.818 -31.660 1.00 0.00 C ATOM 0 HA PRO A 65 -4.236 25.781 -30.607 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -5.623 27.822 -31.869 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -4.924 26.464 -32.728 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -7.810 26.848 -31.833 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.218 26.188 -33.345 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -8.045 24.507 -31.388 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -6.654 24.080 -32.365 1.00 0.00 H new ATOM 1015 N PRO A 66 -4.505 27.047 -28.456 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.620 27.862 -27.257 1.00 0.00 C ATOM 1017 C PRO A 66 -4.276 29.337 -27.498 1.00 0.00 C ATOM 1018 O PRO A 66 -3.178 29.630 -27.963 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.670 27.227 -26.226 1.00 0.00 C ATOM 1020 CG PRO A 66 -3.085 25.989 -26.906 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.264 26.287 -28.389 1.00 0.00 C ATOM 0 HA PRO A 66 -5.652 27.875 -26.907 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.883 27.924 -25.938 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -4.205 26.957 -25.316 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -2.036 25.846 -26.648 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -3.612 25.081 -26.612 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -2.425 26.860 -28.784 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -3.327 25.370 -28.974 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.157 30.292 -27.155 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.831 31.706 -27.267 1.00 0.00 C ATOM 1031 C PRO A 67 -3.806 32.024 -26.164 1.00 0.00 C ATOM 1032 O PRO A 67 -2.920 32.858 -26.339 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.156 32.444 -27.076 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.964 31.508 -26.179 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.484 30.110 -26.584 1.00 0.00 C ATOM 0 HA PRO A 67 -4.390 31.999 -28.220 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.009 33.418 -26.609 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.658 32.619 -28.028 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.777 31.705 -25.123 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.036 31.625 -26.340 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.450 29.444 -25.722 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.162 29.659 -27.308 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.922 31.314 -25.033 1.00 0.00 N ATOM 1044 CA VAL A 68 -3.048 31.384 -23.871 1.00 0.00 C ATOM 1045 C VAL A 68 -1.616 31.126 -24.318 1.00 0.00 C ATOM 1046 O VAL A 68 -0.715 31.860 -23.931 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.476 30.347 -22.816 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -2.358 30.125 -21.792 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.751 30.826 -22.112 1.00 0.00 C ATOM 0 H VAL A 68 -4.675 30.638 -24.905 1.00 0.00 H new ATOM 0 HA VAL A 68 -3.117 32.374 -23.419 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.674 29.398 -23.315 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.680 29.389 -21.055 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.465 29.762 -22.301 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -2.132 31.066 -21.290 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.053 30.091 -21.366 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.560 31.782 -21.624 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.548 30.946 -22.845 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.422 30.086 -25.135 1.00 0.00 N ATOM 1060 CA PHE A 69 -0.114 29.727 -25.677 1.00 0.00 C ATOM 1061 C PHE A 69 0.573 30.961 -26.260 1.00 0.00 C ATOM 1062 O PHE A 69 1.749 31.191 -25.999 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.249 28.587 -26.696 1.00 0.00 C ATOM 1064 CG PHE A 69 0.934 28.414 -27.625 1.00 0.00 C ATOM 1065 CD1 PHE A 69 2.138 27.880 -27.137 1.00 0.00 C ATOM 1066 CD2 PHE A 69 0.830 28.790 -28.977 1.00 0.00 C ATOM 1067 CE1 PHE A 69 3.236 27.729 -27.998 1.00 0.00 C ATOM 1068 CE2 PHE A 69 1.928 28.635 -29.838 1.00 0.00 C ATOM 1069 CZ PHE A 69 3.132 28.105 -29.348 1.00 0.00 C ATOM 0 H PHE A 69 -2.174 29.468 -25.439 1.00 0.00 H new ATOM 0 HA PHE A 69 0.522 29.357 -24.873 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -0.406 27.654 -26.155 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.141 28.761 -27.297 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.219 27.586 -26.101 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -0.096 29.199 -29.353 1.00 0.00 H new ATOM 0 HE1 PHE A 69 4.163 27.323 -27.622 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.847 28.923 -30.876 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.978 27.986 -30.008 1.00 0.00 H new ATOM 1079 N GLN A 70 -0.168 31.765 -27.026 1.00 0.00 N ATOM 1080 CA GLN A 70 0.369 32.981 -27.633 1.00 0.00 C ATOM 1081 C GLN A 70 0.831 33.975 -26.559 1.00 0.00 C ATOM 1082 O GLN A 70 1.836 34.661 -26.734 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.647 33.613 -28.598 1.00 0.00 C ATOM 1084 CG GLN A 70 -0.015 34.745 -29.420 1.00 0.00 C ATOM 1085 CD GLN A 70 -1.010 35.331 -30.415 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -0.849 35.180 -31.623 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.045 36.005 -29.913 1.00 0.00 N ATOM 0 H GLN A 70 -1.150 31.592 -27.241 1.00 0.00 H new ATOM 0 HA GLN A 70 1.246 32.708 -28.220 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.036 32.848 -29.270 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -1.494 34.002 -28.033 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.338 35.530 -28.751 1.00 0.00 H new ATOM 0 HG3 GLN A 70 0.856 34.366 -29.954 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.144 36.109 -28.903 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.737 36.417 -30.539 1.00 0.00 H new ATOM 1096 N MET A 71 0.106 34.043 -25.438 1.00 0.00 N ATOM 1097 CA MET A 71 0.436 34.911 -24.322 1.00 0.00 C ATOM 1098 C MET A 71 1.634 34.321 -23.578 1.00 0.00 C ATOM 1099 O MET A 71 2.454 35.067 -23.058 1.00 0.00 O ATOM 1100 CB MET A 71 -0.793 35.257 -23.459 1.00 0.00 C ATOM 1101 CG MET A 71 -0.825 34.661 -22.045 1.00 0.00 C ATOM 1102 SD MET A 71 -2.009 35.438 -20.911 1.00 0.00 S ATOM 1103 CE MET A 71 -3.559 35.196 -21.814 1.00 0.00 C ATOM 0 H MET A 71 -0.735 33.487 -25.286 1.00 0.00 H new ATOM 0 HA MET A 71 0.747 35.892 -24.681 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.856 36.342 -23.374 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.686 34.927 -23.989 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.060 33.599 -22.120 1.00 0.00 H new ATOM 0 HG3 MET A 71 0.173 34.737 -21.612 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.392 35.558 -21.211 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.523 35.749 -22.753 1.00 0.00 H new ATOM 0 HE3 MET A 71 -3.697 34.135 -22.023 1.00 0.00 H new ATOM 1113 N LEU A 72 1.780 32.992 -23.553 1.00 0.00 N ATOM 1114 CA LEU A 72 2.931 32.338 -22.957 1.00 0.00 C ATOM 1115 C LEU A 72 4.146 32.798 -23.761 1.00 0.00 C ATOM 1116 O LEU A 72 5.182 33.139 -23.193 1.00 0.00 O ATOM 1117 CB LEU A 72 2.710 30.808 -22.895 1.00 0.00 C ATOM 1118 CG LEU A 72 3.923 29.909 -23.162 1.00 0.00 C ATOM 1119 CD1 LEU A 72 4.960 29.961 -22.037 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.448 28.458 -23.267 1.00 0.00 C ATOM 0 H LEU A 72 1.097 32.346 -23.949 1.00 0.00 H new ATOM 0 HA LEU A 72 3.094 32.614 -21.915 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.321 30.564 -21.907 1.00 0.00 H new ATOM 0 HB3 LEU A 72 1.934 30.550 -23.616 1.00 0.00 H new ATOM 0 HG LEU A 72 4.387 30.267 -24.081 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.795 29.305 -22.282 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.322 30.983 -21.923 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.502 29.632 -21.104 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.302 27.808 -23.457 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.969 28.164 -22.333 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.734 28.367 -24.086 1.00 0.00 H new ATOM 1132 N LEU A 73 4.001 32.847 -25.088 1.00 0.00 N ATOM 1133 CA LEU A 73 5.089 33.291 -25.951 1.00 0.00 C ATOM 1134 C LEU A 73 5.447 34.756 -25.754 1.00 0.00 C ATOM 1135 O LEU A 73 6.590 35.140 -25.990 1.00 0.00 O ATOM 1136 CB LEU A 73 4.796 33.082 -27.439 1.00 0.00 C ATOM 1137 CG LEU A 73 4.417 31.674 -27.908 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.301 31.762 -29.424 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.402 30.588 -27.467 1.00 0.00 C ATOM 0 H LEU A 73 3.147 32.586 -25.581 1.00 0.00 H new ATOM 0 HA LEU A 73 5.930 32.666 -25.651 1.00 0.00 H new ATOM 0 HB2 LEU A 73 3.986 33.756 -27.717 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.677 33.395 -28.000 1.00 0.00 H new ATOM 0 HG LEU A 73 3.479 31.366 -27.446 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.031 30.785 -29.826 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.532 32.488 -29.689 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.256 32.076 -29.844 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.066 29.620 -27.837 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.390 30.807 -27.871 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.452 30.563 -26.378 1.00 0.00 H new ATOM 1151 N THR A 74 4.475 35.564 -25.337 1.00 0.00 N ATOM 1152 CA THR A 74 4.668 36.986 -25.102 1.00 0.00 C ATOM 1153 C THR A 74 5.139 37.241 -23.667 1.00 0.00 C ATOM 1154 O THR A 74 5.775 38.259 -23.405 1.00 0.00 O ATOM 1155 CB THR A 74 3.469 37.820 -25.582 1.00 0.00 C ATOM 1156 OG1 THR A 74 3.914 39.039 -26.146 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.508 38.167 -24.457 1.00 0.00 C ATOM 0 H THR A 74 3.524 35.244 -25.152 1.00 0.00 H new ATOM 0 HA THR A 74 5.484 37.349 -25.727 1.00 0.00 H new ATOM 0 HB THR A 74 2.950 37.205 -26.317 1.00 0.00 H new ATOM 0 HG1 THR A 74 3.142 39.560 -26.449 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.681 38.756 -24.854 1.00 0.00 H new ATOM 0 HG22 THR A 74 2.120 37.250 -24.014 1.00 0.00 H new ATOM 0 HG23 THR A 74 3.032 38.744 -23.696 1.00 0.00 H new ATOM 1165 N LYS A 75 4.849 36.316 -22.741 1.00 0.00 N ATOM 1166 CA LYS A 75 5.253 36.436 -21.348 1.00 0.00 C ATOM 1167 C LYS A 75 6.730 36.075 -21.176 1.00 0.00 C ATOM 1168 O LYS A 75 7.422 36.706 -20.381 1.00 0.00 O ATOM 1169 CB LYS A 75 4.350 35.517 -20.520 1.00 0.00 C ATOM 1170 CG LYS A 75 3.024 36.190 -20.131 1.00 0.00 C ATOM 1171 CD LYS A 75 3.106 36.882 -18.762 1.00 0.00 C ATOM 1172 CE LYS A 75 3.006 35.883 -17.596 1.00 0.00 C ATOM 1173 NZ LYS A 75 2.985 36.567 -16.289 1.00 0.00 N ATOM 0 H LYS A 75 4.326 35.464 -22.946 1.00 0.00 H new ATOM 0 HA LYS A 75 5.143 37.465 -21.007 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.141 34.611 -21.088 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.878 35.212 -19.616 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.753 36.923 -20.891 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.231 35.443 -20.112 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.046 37.429 -18.689 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.304 37.615 -18.679 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.102 35.284 -17.707 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.851 35.195 -17.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 2.715 35.890 -15.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 3.930 36.949 -16.082 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 2.295 37.345 -16.315 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.803 13.935 -25.428 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.571 13.629 -26.129 1.00 0.00 C ATOM 1590 C LEU B 7 -3.659 12.789 -25.245 1.00 0.00 C ATOM 1591 O LEU B 7 -3.145 11.799 -25.732 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.853 14.894 -26.630 1.00 0.00 C ATOM 1593 CG LEU B 7 -3.387 15.817 -25.491 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -1.905 15.578 -25.221 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -3.533 17.304 -25.758 1.00 0.00 C ATOM 0 HA LEU B 7 -4.830 13.051 -27.016 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.990 14.601 -27.228 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.523 15.448 -27.287 1.00 0.00 H new ATOM 0 HG LEU B 7 -4.036 15.564 -24.653 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.572 16.231 -24.414 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.751 14.538 -24.933 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -1.331 15.794 -26.122 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.177 17.865 -24.894 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -2.945 17.576 -26.635 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.582 17.540 -25.937 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.437 13.160 -23.975 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.511 12.457 -23.092 1.00 0.00 C ATOM 1609 C LEU B 8 -2.834 10.969 -22.916 1.00 0.00 C ATOM 1610 O LEU B 8 -1.958 10.211 -22.510 1.00 0.00 O ATOM 1611 CB LEU B 8 -2.253 13.186 -21.766 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.492 14.539 -21.796 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.170 14.579 -22.586 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.417 15.728 -22.073 1.00 0.00 C ATOM 0 H LEU B 8 -3.898 13.957 -23.537 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.557 12.477 -23.619 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -3.218 13.360 -21.291 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.697 12.508 -21.119 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.134 14.644 -20.772 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.259 15.579 -22.527 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.529 13.859 -22.162 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.362 14.327 -23.629 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.833 16.648 -22.083 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.901 15.595 -23.040 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.176 15.788 -21.293 1.00 0.00 H new