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 38 LYS NZ :NH3+ -162:sc= 2.58 (180deg=1.15) USER MOD Set 1.2: A 42 HIS : no HE2:sc= 1.3 K(o=3.9,f=-7.2!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 76:sc= 1.17 USER MOD Single : A 45 ASN : amide:sc= 0.407 K(o=0.41,f=-0.65) USER MOD Single : A 50 CYS SG : rot 180:sc= 0.0604 USER MOD Single : A 52 GLN : amide:sc= -0.178 K(o=-0.18,f=-0.78) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 61 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.1) USER MOD Single : A 62 GLN : amide:sc= -1.61! C(o=-1.6!,f=-1.6!) 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 -178:sc= -0.339 (180deg=-0.342) USER MOD Single : A 74 THR OG1 : rot 37:sc= -1.19! USER MOD Single : A 75 LYS NZ :NH3+ -173:sc= 1.3 (180deg=1.24) USER MOD ----------------------------------------------------------------- ATOM 204 N GLU A 14 6.436 7.467 -14.202 1.00 0.00 N ATOM 205 CA GLU A 14 5.017 7.291 -13.913 1.00 0.00 C ATOM 206 C GLU A 14 4.499 8.400 -12.993 1.00 0.00 C ATOM 207 O GLU A 14 3.454 9.000 -13.247 1.00 0.00 O ATOM 208 CB GLU A 14 4.782 5.907 -13.296 1.00 0.00 C ATOM 209 CG GLU A 14 5.222 4.777 -14.237 1.00 0.00 C ATOM 210 CD GLU A 14 4.895 3.403 -13.658 1.00 0.00 C ATOM 211 OE1 GLU A 14 5.092 3.243 -12.434 1.00 0.00 O ATOM 212 OE2 GLU A 14 4.460 2.538 -14.448 1.00 0.00 O ATOM 0 HA GLU A 14 4.459 7.358 -14.847 1.00 0.00 H new ATOM 0 HB2 GLU A 14 5.330 5.831 -12.357 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.725 5.790 -13.059 1.00 0.00 H new ATOM 0 HG2 GLU A 14 4.728 4.893 -15.201 1.00 0.00 H new ATOM 0 HG3 GLU A 14 6.294 4.850 -14.418 1.00 0.00 H new ATOM 219 N ALA A 15 5.259 8.676 -11.931 1.00 0.00 N ATOM 220 CA ALA A 15 4.941 9.712 -10.951 1.00 0.00 C ATOM 221 C ALA A 15 4.923 11.085 -11.611 1.00 0.00 C ATOM 222 O ALA A 15 4.126 11.958 -11.270 1.00 0.00 O ATOM 223 CB ALA A 15 6.038 9.751 -9.885 1.00 0.00 C ATOM 0 H ALA A 15 6.125 8.178 -11.726 1.00 0.00 H new ATOM 0 HA ALA A 15 3.966 9.482 -10.521 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.805 10.523 -9.151 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.096 8.783 -9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.995 9.975 -10.356 1.00 0.00 H new ATOM 229 N VAL A 16 5.844 11.254 -12.555 1.00 0.00 N ATOM 230 CA VAL A 16 6.029 12.487 -13.289 1.00 0.00 C ATOM 231 C VAL A 16 4.984 12.587 -14.386 1.00 0.00 C ATOM 232 O VAL A 16 4.641 13.699 -14.760 1.00 0.00 O ATOM 233 CB VAL A 16 7.495 12.658 -13.707 1.00 0.00 C ATOM 234 CG1 VAL A 16 7.728 13.371 -15.031 1.00 0.00 C ATOM 235 CG2 VAL A 16 8.275 13.284 -12.566 1.00 0.00 C ATOM 0 H VAL A 16 6.493 10.517 -12.832 1.00 0.00 H new ATOM 0 HA VAL A 16 5.849 13.358 -12.659 1.00 0.00 H new ATOM 0 HB VAL A 16 7.871 11.655 -13.908 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.798 13.436 -15.226 1.00 0.00 H new ATOM 0 HG12 VAL A 16 7.246 12.814 -15.834 1.00 0.00 H new ATOM 0 HG13 VAL A 16 7.307 14.375 -14.983 1.00 0.00 H new ATOM 0 HG21 VAL A 16 9.317 13.406 -12.862 1.00 0.00 H new ATOM 0 HG22 VAL A 16 7.849 14.258 -12.326 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.220 12.638 -11.690 1.00 0.00 H new ATOM 245 N GLN A 17 4.434 11.467 -14.873 1.00 0.00 N ATOM 246 CA GLN A 17 3.363 11.531 -15.848 1.00 0.00 C ATOM 247 C GLN A 17 2.152 12.059 -15.094 1.00 0.00 C ATOM 248 O GLN A 17 1.444 12.922 -15.603 1.00 0.00 O ATOM 249 CB GLN A 17 3.042 10.186 -16.514 1.00 0.00 C ATOM 250 CG GLN A 17 2.144 10.434 -17.736 1.00 0.00 C ATOM 251 CD GLN A 17 1.861 9.169 -18.542 1.00 0.00 C ATOM 252 OE1 GLN A 17 1.944 8.059 -18.023 1.00 0.00 O ATOM 253 NE2 GLN A 17 1.526 9.351 -19.818 1.00 0.00 N ATOM 0 H GLN A 17 4.715 10.523 -14.606 1.00 0.00 H new ATOM 0 HA GLN A 17 3.663 12.176 -16.674 1.00 0.00 H new ATOM 0 HB2 GLN A 17 3.962 9.687 -16.818 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.541 9.526 -15.806 1.00 0.00 H new ATOM 0 HG2 GLN A 17 1.199 10.864 -17.403 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.619 11.171 -18.384 1.00 0.00 H new ATOM 0 HE21 GLN A 17 1.471 10.295 -20.201 1.00 0.00 H new ATOM 0 HE22 GLN A 17 1.324 8.547 -20.412 1.00 0.00 H new ATOM 262 N LYS A 18 1.938 11.543 -13.872 1.00 0.00 N ATOM 263 CA LYS A 18 0.824 11.973 -13.041 1.00 0.00 C ATOM 264 C LYS A 18 0.930 13.475 -12.783 1.00 0.00 C ATOM 265 O LYS A 18 -0.015 14.210 -13.051 1.00 0.00 O ATOM 266 CB LYS A 18 0.762 11.182 -11.724 1.00 0.00 C ATOM 267 CG LYS A 18 0.574 9.668 -11.924 1.00 0.00 C ATOM 268 CD LYS A 18 -0.615 9.111 -11.125 1.00 0.00 C ATOM 269 CE LYS A 18 -1.963 9.531 -11.729 1.00 0.00 C ATOM 270 NZ LYS A 18 -3.099 9.033 -10.932 1.00 0.00 N ATOM 0 H LYS A 18 2.528 10.828 -13.446 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.106 11.770 -13.572 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.680 11.355 -11.162 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.059 11.565 -11.118 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.424 9.461 -12.984 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.484 9.149 -11.623 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.554 8.023 -11.096 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.555 9.461 -10.095 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.011 10.618 -11.790 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.039 9.151 -12.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.991 9.337 -11.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.068 7.994 -10.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.040 9.416 -9.967 1.00 0.00 H new ATOM 284 N PHE A 19 2.081 13.925 -12.281 1.00 0.00 N ATOM 285 CA PHE A 19 2.329 15.333 -12.000 1.00 0.00 C ATOM 286 C PHE A 19 2.235 16.198 -13.266 1.00 0.00 C ATOM 287 O PHE A 19 1.632 17.268 -13.240 1.00 0.00 O ATOM 288 CB PHE A 19 3.697 15.485 -11.304 1.00 0.00 C ATOM 289 CG PHE A 19 4.314 16.858 -11.475 1.00 0.00 C ATOM 290 CD1 PHE A 19 4.987 17.164 -12.671 1.00 0.00 C ATOM 291 CD2 PHE A 19 4.211 17.835 -10.469 1.00 0.00 C ATOM 292 CE1 PHE A 19 5.523 18.440 -12.861 1.00 0.00 C ATOM 293 CE2 PHE A 19 4.769 19.110 -10.661 1.00 0.00 C ATOM 294 CZ PHE A 19 5.421 19.416 -11.871 1.00 0.00 C ATOM 0 H PHE A 19 2.869 13.317 -12.058 1.00 0.00 H new ATOM 0 HA PHE A 19 1.551 15.695 -11.328 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.579 15.278 -10.240 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.382 14.736 -11.700 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.089 16.414 -13.441 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.701 17.604 -9.545 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.024 18.674 -13.789 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.698 19.854 -9.882 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.839 20.399 -12.031 1.00 0.00 H new ATOM 304 N PHE A 20 2.849 15.751 -14.366 1.00 0.00 N ATOM 305 CA PHE A 20 2.888 16.477 -15.636 1.00 0.00 C ATOM 306 C PHE A 20 1.449 16.756 -16.061 1.00 0.00 C ATOM 307 O PHE A 20 1.085 17.897 -16.343 1.00 0.00 O ATOM 308 CB PHE A 20 3.673 15.657 -16.669 1.00 0.00 C ATOM 309 CG PHE A 20 3.694 16.104 -18.112 1.00 0.00 C ATOM 310 CD1 PHE A 20 4.054 17.420 -18.442 1.00 0.00 C ATOM 311 CD2 PHE A 20 3.377 15.186 -19.132 1.00 0.00 C ATOM 312 CE1 PHE A 20 4.102 17.817 -19.788 1.00 0.00 C ATOM 313 CE2 PHE A 20 3.428 15.583 -20.478 1.00 0.00 C ATOM 314 CZ PHE A 20 3.794 16.897 -20.803 1.00 0.00 C ATOM 0 H PHE A 20 3.341 14.858 -14.398 1.00 0.00 H new ATOM 0 HA PHE A 20 3.404 17.432 -15.542 1.00 0.00 H new ATOM 0 HB2 PHE A 20 4.707 15.605 -16.328 1.00 0.00 H new ATOM 0 HB3 PHE A 20 3.279 14.641 -16.647 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.294 18.127 -17.661 1.00 0.00 H new ATOM 0 HD2 PHE A 20 3.094 14.175 -18.879 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.376 18.830 -20.043 1.00 0.00 H new ATOM 0 HE2 PHE A 20 3.186 14.879 -21.260 1.00 0.00 H new ATOM 0 HZ PHE A 20 3.839 17.203 -21.838 1.00 0.00 H new ATOM 324 N LEU A 21 0.622 15.703 -16.063 1.00 0.00 N ATOM 325 CA LEU A 21 -0.789 15.809 -16.381 1.00 0.00 C ATOM 326 C LEU A 21 -1.520 16.629 -15.332 1.00 0.00 C ATOM 327 O LEU A 21 -2.429 17.369 -15.694 1.00 0.00 O ATOM 328 CB LEU A 21 -1.424 14.414 -16.523 1.00 0.00 C ATOM 329 CG LEU A 21 -1.750 13.970 -17.958 1.00 0.00 C ATOM 330 CD1 LEU A 21 -2.032 12.460 -17.907 1.00 0.00 C ATOM 331 CD2 LEU A 21 -2.938 14.797 -18.468 1.00 0.00 C ATOM 0 H LEU A 21 0.924 14.754 -15.842 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.882 16.323 -17.338 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.749 13.682 -16.081 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.344 14.393 -15.939 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.930 14.140 -18.656 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -2.269 12.100 -18.908 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.151 11.938 -17.533 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.876 12.270 -17.244 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.182 14.494 -19.486 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -3.801 14.630 -17.823 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.676 15.855 -18.458 1.00 0.00 H new ATOM 343 N GLU A 22 -1.139 16.534 -14.054 1.00 0.00 N ATOM 344 CA GLU A 22 -1.777 17.339 -13.026 1.00 0.00 C ATOM 345 C GLU A 22 -1.545 18.815 -13.351 1.00 0.00 C ATOM 346 O GLU A 22 -2.421 19.628 -13.092 1.00 0.00 O ATOM 347 CB GLU A 22 -1.248 17.008 -11.619 1.00 0.00 C ATOM 348 CG GLU A 22 -2.055 17.733 -10.532 1.00 0.00 C ATOM 349 CD GLU A 22 -1.411 17.613 -9.156 1.00 0.00 C ATOM 350 OE1 GLU A 22 -0.847 16.539 -8.847 1.00 0.00 O ATOM 351 OE2 GLU A 22 -1.462 18.619 -8.414 1.00 0.00 O ATOM 0 H GLU A 22 -0.402 15.915 -13.717 1.00 0.00 H new ATOM 0 HA GLU A 22 -2.844 17.115 -13.019 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.297 15.932 -11.454 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.199 17.294 -11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.150 18.786 -10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.063 17.321 -10.496 1.00 0.00 H new ATOM 358 N GLU A 23 -0.380 19.165 -13.912 1.00 0.00 N ATOM 359 CA GLU A 23 -0.029 20.537 -14.241 1.00 0.00 C ATOM 360 C GLU A 23 -0.757 20.975 -15.514 1.00 0.00 C ATOM 361 O GLU A 23 -1.329 22.061 -15.544 1.00 0.00 O ATOM 362 CB GLU A 23 1.497 20.698 -14.269 1.00 0.00 C ATOM 363 CG GLU A 23 1.868 22.130 -13.877 1.00 0.00 C ATOM 364 CD GLU A 23 3.325 22.267 -13.459 1.00 0.00 C ATOM 365 OE1 GLU A 23 4.150 21.477 -13.968 1.00 0.00 O ATOM 366 OE2 GLU A 23 3.583 23.181 -12.640 1.00 0.00 O ATOM 0 H GLU A 23 0.347 18.490 -14.149 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.373 21.223 -13.467 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.960 19.990 -13.582 1.00 0.00 H new ATOM 0 HB3 GLU A 23 1.879 20.472 -15.265 1.00 0.00 H new ATOM 0 HG2 GLU A 23 1.672 22.795 -14.718 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.227 22.455 -13.057 1.00 0.00 H new ATOM 373 N ILE A 24 -0.779 20.112 -16.543 1.00 0.00 N ATOM 374 CA ILE A 24 -1.517 20.349 -17.794 1.00 0.00 C ATOM 375 C ILE A 24 -2.984 20.654 -17.397 1.00 0.00 C ATOM 376 O ILE A 24 -3.570 21.646 -17.840 1.00 0.00 O ATOM 377 CB ILE A 24 -1.351 19.139 -18.792 1.00 0.00 C ATOM 378 CG1 ILE A 24 -0.164 19.254 -19.798 1.00 0.00 C ATOM 379 CG2 ILE A 24 -2.642 18.711 -19.508 1.00 0.00 C ATOM 380 CD1 ILE A 24 -0.416 18.633 -21.183 1.00 0.00 C ATOM 0 H ILE A 24 -0.280 19.222 -16.529 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.121 21.202 -18.346 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.087 18.333 -18.107 1.00 0.00 H new ATOM 0 HG12 ILE A 24 0.079 20.308 -19.929 1.00 0.00 H new ATOM 0 HG13 ILE A 24 0.712 18.777 -19.358 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.429 17.874 -20.172 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.385 18.409 -18.770 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.029 19.547 -20.091 1.00 0.00 H new ATOM 0 HD11 ILE A 24 0.468 18.765 -21.807 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.626 17.569 -21.072 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -1.268 19.124 -21.652 1.00 0.00 H new ATOM 392 N GLN A 25 -3.559 19.804 -16.534 1.00 0.00 N ATOM 393 CA GLN A 25 -4.929 19.911 -16.033 1.00 0.00 C ATOM 394 C GLN A 25 -5.148 21.162 -15.189 1.00 0.00 C ATOM 395 O GLN A 25 -6.061 21.937 -15.450 1.00 0.00 O ATOM 396 CB GLN A 25 -5.284 18.680 -15.184 1.00 0.00 C ATOM 397 CG GLN A 25 -5.624 17.447 -16.023 1.00 0.00 C ATOM 398 CD GLN A 25 -7.032 17.537 -16.606 1.00 0.00 C ATOM 399 OE1 GLN A 25 -8.017 17.460 -15.871 1.00 0.00 O ATOM 400 NE2 GLN A 25 -7.138 17.696 -17.923 1.00 0.00 N ATOM 0 H GLN A 25 -3.063 18.997 -16.155 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.574 19.973 -16.909 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -4.446 18.445 -14.528 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -6.132 18.921 -14.543 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.900 17.345 -16.832 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.541 16.552 -15.406 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -6.298 17.756 -18.499 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -8.059 17.758 -18.357 1.00 0.00 H new ATOM 409 N LEU A 26 -4.317 21.327 -14.161 1.00 0.00 N ATOM 410 CA LEU A 26 -4.353 22.430 -13.201 1.00 0.00 C ATOM 411 C LEU A 26 -4.313 23.756 -13.955 1.00 0.00 C ATOM 412 O LEU A 26 -5.126 24.634 -13.679 1.00 0.00 O ATOM 413 CB LEU A 26 -3.232 22.253 -12.158 1.00 0.00 C ATOM 414 CG LEU A 26 -2.980 23.309 -11.079 1.00 0.00 C ATOM 415 CD1 LEU A 26 -2.561 24.682 -11.603 1.00 0.00 C ATOM 416 CD2 LEU A 26 -4.179 23.414 -10.153 1.00 0.00 C ATOM 0 H LEU A 26 -3.566 20.665 -13.965 1.00 0.00 H new ATOM 0 HA LEU A 26 -5.284 22.430 -12.634 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -3.422 21.311 -11.643 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -2.300 22.133 -12.710 1.00 0.00 H new ATOM 0 HG LEU A 26 -2.113 22.955 -10.521 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.406 25.360 -10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.634 24.588 -12.169 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -3.343 25.079 -12.250 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.985 24.169 -9.391 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.060 23.698 -10.729 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.354 22.451 -9.674 1.00 0.00 H new ATOM 428 N GLY A 27 -3.396 23.894 -14.920 1.00 0.00 N ATOM 429 CA GLY A 27 -3.300 25.089 -15.746 1.00 0.00 C ATOM 430 C GLY A 27 -4.635 25.267 -16.444 1.00 0.00 C ATOM 431 O GLY A 27 -5.341 26.219 -16.137 1.00 0.00 O ATOM 0 H GLY A 27 -2.704 23.179 -15.145 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -3.068 25.961 -15.134 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -2.496 24.988 -16.475 1.00 0.00 H new ATOM 435 N GLU A 28 -4.998 24.351 -17.351 1.00 0.00 N ATOM 436 CA GLU A 28 -6.286 24.417 -18.047 1.00 0.00 C ATOM 437 C GLU A 28 -7.465 24.826 -17.147 1.00 0.00 C ATOM 438 O GLU A 28 -8.276 25.660 -17.531 1.00 0.00 O ATOM 439 CB GLU A 28 -6.546 23.069 -18.708 1.00 0.00 C ATOM 440 CG GLU A 28 -5.619 22.918 -19.919 1.00 0.00 C ATOM 441 CD GLU A 28 -6.337 23.306 -21.203 1.00 0.00 C ATOM 442 OE1 GLU A 28 -7.385 22.685 -21.486 1.00 0.00 O ATOM 443 OE2 GLU A 28 -5.862 24.245 -21.880 1.00 0.00 O ATOM 0 H GLU A 28 -4.417 23.556 -17.619 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.217 25.208 -18.793 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.371 22.261 -17.997 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -7.588 22.998 -19.021 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.737 23.544 -19.787 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -5.271 21.888 -19.989 1.00 0.00 H new ATOM 450 N GLU A 29 -7.541 24.255 -15.946 1.00 0.00 N ATOM 451 CA GLU A 29 -8.571 24.535 -14.944 1.00 0.00 C ATOM 452 C GLU A 29 -8.470 25.978 -14.442 1.00 0.00 C ATOM 453 O GLU A 29 -9.476 26.680 -14.363 1.00 0.00 O ATOM 454 CB GLU A 29 -8.462 23.526 -13.796 1.00 0.00 C ATOM 455 CG GLU A 29 -9.349 23.822 -12.580 1.00 0.00 C ATOM 456 CD GLU A 29 -9.054 22.847 -11.444 1.00 0.00 C ATOM 457 OE1 GLU A 29 -9.056 21.629 -11.734 1.00 0.00 O ATOM 458 OE2 GLU A 29 -8.830 23.329 -10.313 1.00 0.00 O ATOM 0 H GLU A 29 -6.864 23.560 -15.632 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.554 24.427 -15.403 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -8.715 22.537 -14.178 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.424 23.485 -13.467 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -9.180 24.844 -12.241 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.399 23.750 -12.864 1.00 0.00 H new ATOM 465 N LEU A 30 -7.268 26.449 -14.103 1.00 0.00 N ATOM 466 CA LEU A 30 -7.095 27.822 -13.656 1.00 0.00 C ATOM 467 C LEU A 30 -7.487 28.764 -14.790 1.00 0.00 C ATOM 468 O LEU A 30 -8.130 29.785 -14.554 1.00 0.00 O ATOM 469 CB LEU A 30 -5.651 28.072 -13.185 1.00 0.00 C ATOM 470 CG LEU A 30 -5.365 27.815 -11.692 1.00 0.00 C ATOM 471 CD1 LEU A 30 -3.889 28.130 -11.425 1.00 0.00 C ATOM 472 CD2 LEU A 30 -6.206 28.704 -10.762 1.00 0.00 C ATOM 0 H LEU A 30 -6.409 25.900 -14.131 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.742 28.011 -12.799 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.985 27.442 -13.774 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.392 29.107 -13.410 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.617 26.775 -11.485 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.664 27.955 -10.373 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.262 27.486 -12.042 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.690 29.173 -11.670 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.962 28.478 -9.724 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -5.989 29.752 -10.966 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -7.265 28.513 -10.935 1.00 0.00 H new ATOM 484 N LEU A 31 -7.139 28.416 -16.028 1.00 0.00 N ATOM 485 CA LEU A 31 -7.508 29.203 -17.199 1.00 0.00 C ATOM 486 C LEU A 31 -9.016 29.128 -17.386 1.00 0.00 C ATOM 487 O LEU A 31 -9.630 30.105 -17.809 1.00 0.00 O ATOM 488 CB LEU A 31 -6.742 28.690 -18.402 1.00 0.00 C ATOM 489 CG LEU A 31 -5.258 29.077 -18.337 1.00 0.00 C ATOM 490 CD1 LEU A 31 -4.610 29.271 -16.957 1.00 0.00 C ATOM 491 CD2 LEU A 31 -4.514 27.984 -19.077 1.00 0.00 C ATOM 0 H LEU A 31 -6.594 27.581 -16.245 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.245 30.253 -17.070 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.833 27.605 -18.456 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.184 29.093 -19.314 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.194 30.075 -18.770 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.561 29.541 -17.082 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.128 30.066 -16.420 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.680 28.344 -16.388 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.446 28.200 -19.068 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.695 27.026 -18.589 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.866 27.938 -20.108 1.00 0.00 H new ATOM 503 N ALA A 32 -9.612 27.992 -17.011 1.00 0.00 N ATOM 504 CA ALA A 32 -11.057 27.825 -17.019 1.00 0.00 C ATOM 505 C ALA A 32 -11.703 28.849 -16.070 1.00 0.00 C ATOM 506 O ALA A 32 -12.881 29.162 -16.222 1.00 0.00 O ATOM 507 CB ALA A 32 -11.465 26.378 -16.706 1.00 0.00 C ATOM 0 H ALA A 32 -9.102 27.167 -16.695 1.00 0.00 H new ATOM 0 HA ALA A 32 -11.431 28.022 -18.024 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -12.552 26.295 -16.722 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -11.039 25.710 -17.455 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -11.094 26.101 -15.719 1.00 0.00 H new ATOM 513 N GLN A 33 -10.922 29.398 -15.122 1.00 0.00 N ATOM 514 CA GLN A 33 -11.334 30.441 -14.194 1.00 0.00 C ATOM 515 C GLN A 33 -10.961 31.792 -14.815 1.00 0.00 C ATOM 516 O GLN A 33 -11.705 32.762 -14.693 1.00 0.00 O ATOM 517 CB GLN A 33 -10.669 30.220 -12.825 1.00 0.00 C ATOM 518 CG GLN A 33 -11.720 30.043 -11.724 1.00 0.00 C ATOM 519 CD GLN A 33 -11.068 29.781 -10.370 1.00 0.00 C ATOM 520 OE1 GLN A 33 -11.174 30.595 -9.457 1.00 0.00 O ATOM 521 NE2 GLN A 33 -10.388 28.642 -10.231 1.00 0.00 N ATOM 0 H GLN A 33 -9.953 29.110 -14.985 1.00 0.00 H new ATOM 0 HA GLN A 33 -12.410 30.417 -14.023 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -10.029 29.339 -12.866 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.028 31.069 -12.587 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.341 30.937 -11.664 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.380 29.214 -11.979 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.321 27.989 -11.012 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -9.935 28.424 -9.344 1.00 0.00 H new ATOM 530 N GLY A 34 -9.812 31.826 -15.500 1.00 0.00 N ATOM 531 CA GLY A 34 -9.261 32.963 -16.222 1.00 0.00 C ATOM 532 C GLY A 34 -7.837 33.333 -15.804 1.00 0.00 C ATOM 533 O GLY A 34 -7.388 34.425 -16.146 1.00 0.00 O ATOM 0 H GLY A 34 -9.210 31.005 -15.565 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.270 32.742 -17.289 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.909 33.826 -16.070 1.00 0.00 H new ATOM 537 N ASP A 35 -7.116 32.466 -15.076 1.00 0.00 N ATOM 538 CA ASP A 35 -5.762 32.793 -14.605 1.00 0.00 C ATOM 539 C ASP A 35 -4.640 32.400 -15.581 1.00 0.00 C ATOM 540 O ASP A 35 -3.693 31.697 -15.233 1.00 0.00 O ATOM 541 CB ASP A 35 -5.568 32.263 -13.176 1.00 0.00 C ATOM 542 CG ASP A 35 -4.424 32.938 -12.423 1.00 0.00 C ATOM 543 OD1 ASP A 35 -3.738 33.790 -13.030 1.00 0.00 O ATOM 544 OD2 ASP A 35 -4.243 32.563 -11.244 1.00 0.00 O ATOM 0 H ASP A 35 -7.445 31.540 -14.803 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.676 33.879 -14.572 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.493 32.404 -12.617 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -5.381 31.190 -13.218 1.00 0.00 H new ATOM 549 N TYR A 36 -4.759 32.890 -16.818 1.00 0.00 N ATOM 550 CA TYR A 36 -3.861 32.731 -17.957 1.00 0.00 C ATOM 551 C TYR A 36 -2.387 32.856 -17.603 1.00 0.00 C ATOM 552 O TYR A 36 -1.571 32.060 -18.064 1.00 0.00 O ATOM 553 CB TYR A 36 -4.243 33.737 -19.050 1.00 0.00 C ATOM 554 CG TYR A 36 -5.735 33.873 -19.303 1.00 0.00 C ATOM 555 CD1 TYR A 36 -6.488 32.763 -19.729 1.00 0.00 C ATOM 556 CD2 TYR A 36 -6.375 35.112 -19.103 1.00 0.00 C ATOM 557 CE1 TYR A 36 -7.867 32.887 -19.953 1.00 0.00 C ATOM 558 CE2 TYR A 36 -7.757 35.236 -19.330 1.00 0.00 C ATOM 559 CZ TYR A 36 -8.503 34.124 -19.754 1.00 0.00 C ATOM 560 OH TYR A 36 -9.843 34.250 -19.969 1.00 0.00 O ATOM 0 H TYR A 36 -5.566 33.463 -17.067 1.00 0.00 H new ATOM 0 HA TYR A 36 -3.987 31.711 -18.319 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -3.845 34.715 -18.778 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -3.757 33.442 -19.980 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.002 31.811 -19.884 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -5.803 35.968 -18.775 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.440 32.031 -20.279 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.245 36.187 -19.178 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.119 35.172 -19.783 1.00 0.00 H new ATOM 570 N GLU A 37 -2.056 33.859 -16.793 1.00 0.00 N ATOM 571 CA GLU A 37 -0.675 34.100 -16.395 1.00 0.00 C ATOM 572 C GLU A 37 -0.117 32.905 -15.634 1.00 0.00 C ATOM 573 O GLU A 37 1.033 32.512 -15.825 1.00 0.00 O ATOM 574 CB GLU A 37 -0.508 35.428 -15.646 1.00 0.00 C ATOM 575 CG GLU A 37 0.989 35.726 -15.460 1.00 0.00 C ATOM 576 CD GLU A 37 1.257 37.157 -15.013 1.00 0.00 C ATOM 577 OE1 GLU A 37 0.434 37.683 -14.236 1.00 0.00 O ATOM 578 OE2 GLU A 37 2.296 37.693 -15.458 1.00 0.00 O ATOM 0 H GLU A 37 -2.728 34.518 -16.400 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.077 34.207 -17.300 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.984 36.235 -16.203 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.003 35.376 -14.676 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.403 35.037 -14.724 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.511 35.540 -16.399 1.00 0.00 H new ATOM 585 N LYS A 38 -0.955 32.308 -14.791 1.00 0.00 N ATOM 586 CA LYS A 38 -0.572 31.124 -14.040 1.00 0.00 C ATOM 587 C LYS A 38 -0.451 29.948 -15.005 1.00 0.00 C ATOM 588 O LYS A 38 0.403 29.085 -14.812 1.00 0.00 O ATOM 589 CB LYS A 38 -1.552 30.856 -12.884 1.00 0.00 C ATOM 590 CG LYS A 38 -0.915 31.025 -11.495 1.00 0.00 C ATOM 591 CD LYS A 38 -0.021 29.812 -11.226 1.00 0.00 C ATOM 592 CE LYS A 38 0.895 29.963 -10.012 1.00 0.00 C ATOM 593 NZ LYS A 38 1.794 28.797 -9.912 1.00 0.00 N ATOM 0 H LYS A 38 -1.907 32.629 -14.613 1.00 0.00 H new ATOM 0 HA LYS A 38 0.399 31.278 -13.569 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.401 31.534 -12.972 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -1.943 29.843 -12.976 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.330 31.944 -11.455 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.687 31.105 -10.730 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.652 28.935 -11.084 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.592 29.624 -12.108 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.481 30.878 -10.099 1.00 0.00 H new ATOM 0 HE3 LYS A 38 0.298 30.052 -9.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.189 28.745 -8.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.259 27.928 -10.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.568 28.895 -10.600 1.00 0.00 H new ATOM 607 N GLY A 39 -1.269 29.924 -16.065 1.00 0.00 N ATOM 608 CA GLY A 39 -1.176 28.892 -17.080 1.00 0.00 C ATOM 609 C GLY A 39 0.177 28.956 -17.764 1.00 0.00 C ATOM 610 O GLY A 39 0.740 27.915 -18.070 1.00 0.00 O ATOM 0 H GLY A 39 -2.001 30.614 -16.233 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -1.317 27.911 -16.627 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -1.971 29.021 -17.815 1.00 0.00 H new ATOM 614 N VAL A 40 0.707 30.159 -18.005 1.00 0.00 N ATOM 615 CA VAL A 40 2.009 30.303 -18.645 1.00 0.00 C ATOM 616 C VAL A 40 3.073 29.617 -17.780 1.00 0.00 C ATOM 617 O VAL A 40 3.888 28.853 -18.290 1.00 0.00 O ATOM 618 CB VAL A 40 2.329 31.792 -18.926 1.00 0.00 C ATOM 619 CG1 VAL A 40 3.760 31.964 -19.443 1.00 0.00 C ATOM 620 CG2 VAL A 40 1.360 32.427 -19.945 1.00 0.00 C ATOM 0 H VAL A 40 0.253 31.041 -17.766 1.00 0.00 H new ATOM 0 HA VAL A 40 2.000 29.811 -19.618 1.00 0.00 H new ATOM 0 HB VAL A 40 2.212 32.304 -17.971 1.00 0.00 H new ATOM 0 HG11 VAL A 40 3.954 33.020 -19.631 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.463 31.593 -18.698 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.882 31.402 -20.369 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.631 33.471 -20.104 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.422 31.888 -20.891 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.341 32.371 -19.562 1.00 0.00 H new ATOM 630 N ASP A 41 3.050 29.879 -16.471 1.00 0.00 N ATOM 631 CA ASP A 41 3.983 29.314 -15.498 1.00 0.00 C ATOM 632 C ASP A 41 3.868 27.791 -15.443 1.00 0.00 C ATOM 633 O ASP A 41 4.853 27.069 -15.582 1.00 0.00 O ATOM 634 CB ASP A 41 3.734 29.940 -14.109 1.00 0.00 C ATOM 635 CG ASP A 41 4.173 29.041 -12.951 1.00 0.00 C ATOM 636 OD1 ASP A 41 5.387 28.770 -12.850 1.00 0.00 O ATOM 637 OD2 ASP A 41 3.276 28.636 -12.179 1.00 0.00 O ATOM 0 H ASP A 41 2.364 30.506 -16.050 1.00 0.00 H new ATOM 0 HA ASP A 41 4.999 29.552 -15.812 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.267 30.889 -14.045 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.672 30.163 -14.004 1.00 0.00 H new ATOM 642 N HIS A 42 2.648 27.314 -15.223 1.00 0.00 N ATOM 643 CA HIS A 42 2.350 25.900 -15.090 1.00 0.00 C ATOM 644 C HIS A 42 2.635 25.158 -16.379 1.00 0.00 C ATOM 645 O HIS A 42 3.094 24.019 -16.343 1.00 0.00 O ATOM 646 CB HIS A 42 0.921 25.690 -14.581 1.00 0.00 C ATOM 647 CG HIS A 42 0.841 25.862 -13.087 1.00 0.00 C ATOM 648 ND1 HIS A 42 1.611 25.116 -12.208 1.00 0.00 N ATOM 649 CD2 HIS A 42 0.094 26.692 -12.293 1.00 0.00 C ATOM 650 CE1 HIS A 42 1.306 25.516 -10.966 1.00 0.00 C ATOM 651 NE2 HIS A 42 0.383 26.481 -10.945 1.00 0.00 N ATOM 0 H HIS A 42 1.827 27.912 -15.131 1.00 0.00 H new ATOM 0 HA HIS A 42 3.014 25.473 -14.339 1.00 0.00 H new ATOM 0 HB2 HIS A 42 0.252 26.400 -15.067 1.00 0.00 H new ATOM 0 HB3 HIS A 42 0.579 24.691 -14.853 1.00 0.00 H new ATOM 0 HD1 HIS A 42 2.286 24.394 -12.461 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.622 27.412 -12.661 1.00 0.00 H new ATOM 0 HE1 HIS A 42 1.758 25.102 -10.077 1.00 0.00 H new ATOM 659 N LEU A 43 2.397 25.791 -17.528 1.00 0.00 N ATOM 660 CA LEU A 43 2.705 25.106 -18.763 1.00 0.00 C ATOM 661 C LEU A 43 4.226 25.058 -18.863 1.00 0.00 C ATOM 662 O LEU A 43 4.770 24.005 -19.171 1.00 0.00 O ATOM 663 CB LEU A 43 2.023 25.745 -19.981 1.00 0.00 C ATOM 664 CG LEU A 43 1.714 24.664 -21.027 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.369 23.979 -20.734 1.00 0.00 C ATOM 666 CD2 LEU A 43 1.604 25.290 -22.418 1.00 0.00 C ATOM 0 H LEU A 43 2.011 26.730 -17.621 1.00 0.00 H new ATOM 0 HA LEU A 43 2.304 24.093 -18.758 1.00 0.00 H new ATOM 0 HB2 LEU A 43 1.103 26.243 -19.675 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.670 26.509 -20.413 1.00 0.00 H new ATOM 0 HG LEU A 43 2.525 23.937 -20.986 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.176 23.218 -21.490 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.406 23.511 -19.750 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -0.429 24.721 -20.754 1.00 0.00 H new ATOM 0 HD21 LEU A 43 1.385 24.513 -23.150 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.803 26.029 -22.422 1.00 0.00 H new ATOM 0 HD23 LEU A 43 2.546 25.775 -22.674 1.00 0.00 H new ATOM 678 N THR A 44 4.918 26.172 -18.567 1.00 0.00 N ATOM 679 CA THR A 44 6.384 26.201 -18.615 1.00 0.00 C ATOM 680 C THR A 44 6.974 25.061 -17.767 1.00 0.00 C ATOM 681 O THR A 44 7.961 24.418 -18.130 1.00 0.00 O ATOM 682 CB THR A 44 6.944 27.568 -18.192 1.00 0.00 C ATOM 683 OG1 THR A 44 6.509 28.553 -19.105 1.00 0.00 O ATOM 684 CG2 THR A 44 8.476 27.571 -18.212 1.00 0.00 C ATOM 0 H THR A 44 4.487 27.055 -18.295 1.00 0.00 H new ATOM 0 HA THR A 44 6.687 26.046 -19.650 1.00 0.00 H new ATOM 0 HB THR A 44 6.590 27.773 -17.182 1.00 0.00 H new ATOM 0 HG1 THR A 44 5.568 28.766 -18.933 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.842 28.552 -17.908 1.00 0.00 H new ATOM 0 HG22 THR A 44 8.850 26.814 -17.523 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.827 27.349 -19.220 1.00 0.00 H new ATOM 692 N ASN A 45 6.337 24.813 -16.628 1.00 0.00 N ATOM 693 CA ASN A 45 6.728 23.777 -15.684 1.00 0.00 C ATOM 694 C ASN A 45 6.487 22.401 -16.308 1.00 0.00 C ATOM 695 O ASN A 45 7.332 21.505 -16.204 1.00 0.00 O ATOM 696 CB ASN A 45 5.953 23.930 -14.379 1.00 0.00 C ATOM 697 CG ASN A 45 6.208 25.235 -13.636 1.00 0.00 C ATOM 698 OD1 ASN A 45 7.200 25.920 -13.874 1.00 0.00 O ATOM 699 ND2 ASN A 45 5.291 25.578 -12.732 1.00 0.00 N ATOM 0 H ASN A 45 5.516 25.340 -16.330 1.00 0.00 H new ATOM 0 HA ASN A 45 7.789 23.876 -15.456 1.00 0.00 H new ATOM 0 HB2 ASN A 45 4.887 23.853 -14.594 1.00 0.00 H new ATOM 0 HB3 ASN A 45 6.207 23.098 -13.722 1.00 0.00 H new ATOM 0 HD21 ASN A 45 5.396 26.443 -12.202 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.484 24.975 -12.570 1.00 0.00 H new ATOM 706 N ALA A 46 5.343 22.242 -16.988 1.00 0.00 N ATOM 707 CA ALA A 46 5.015 21.001 -17.663 1.00 0.00 C ATOM 708 C ALA A 46 6.170 20.680 -18.635 1.00 0.00 C ATOM 709 O ALA A 46 6.653 19.548 -18.683 1.00 0.00 O ATOM 710 CB ALA A 46 3.603 21.087 -18.267 1.00 0.00 C ATOM 0 H ALA A 46 4.633 22.968 -17.079 1.00 0.00 H new ATOM 0 HA ALA A 46 4.946 20.148 -16.988 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.366 20.151 -18.772 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.878 21.265 -17.473 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.564 21.906 -18.985 1.00 0.00 H new ATOM 716 N ILE A 47 6.667 21.691 -19.369 1.00 0.00 N ATOM 717 CA ILE A 47 7.817 21.530 -20.263 1.00 0.00 C ATOM 718 C ILE A 47 9.076 21.150 -19.486 1.00 0.00 C ATOM 719 O ILE A 47 9.892 20.372 -19.977 1.00 0.00 O ATOM 720 CB ILE A 47 8.105 22.791 -21.123 1.00 0.00 C ATOM 721 CG1 ILE A 47 7.083 23.001 -22.264 1.00 0.00 C ATOM 722 CG2 ILE A 47 9.542 22.805 -21.684 1.00 0.00 C ATOM 723 CD1 ILE A 47 5.785 23.620 -21.758 1.00 0.00 C ATOM 0 H ILE A 47 6.282 22.636 -19.357 1.00 0.00 H new ATOM 0 HA ILE A 47 7.547 20.721 -20.942 1.00 0.00 H new ATOM 0 HB ILE A 47 7.998 23.629 -20.434 1.00 0.00 H new ATOM 0 HG12 ILE A 47 7.519 23.645 -23.028 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.868 22.044 -22.739 1.00 0.00 H new ATOM 0 HG21 ILE A 47 9.692 23.707 -22.278 1.00 0.00 H new ATOM 0 HG22 ILE A 47 10.255 22.791 -20.859 1.00 0.00 H new ATOM 0 HG23 ILE A 47 9.696 21.928 -22.312 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.095 23.750 -22.592 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.335 22.963 -21.014 1.00 0.00 H new ATOM 0 HD13 ILE A 47 5.996 24.589 -21.307 1.00 0.00 H new ATOM 735 N ALA A 48 9.249 21.717 -18.294 1.00 0.00 N ATOM 736 CA ALA A 48 10.425 21.506 -17.460 1.00 0.00 C ATOM 737 C ALA A 48 10.559 20.056 -17.043 1.00 0.00 C ATOM 738 O ALA A 48 11.675 19.567 -16.878 1.00 0.00 O ATOM 739 CB ALA A 48 10.445 22.431 -16.243 1.00 0.00 C ATOM 0 H ALA A 48 8.563 22.346 -17.876 1.00 0.00 H new ATOM 0 HA ALA A 48 11.290 21.760 -18.072 1.00 0.00 H new ATOM 0 HB1 ALA A 48 11.340 22.236 -15.653 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.448 23.469 -16.575 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.561 22.248 -15.632 1.00 0.00 H new ATOM 745 N VAL A 49 9.426 19.368 -16.896 1.00 0.00 N ATOM 746 CA VAL A 49 9.437 17.972 -16.505 1.00 0.00 C ATOM 747 C VAL A 49 9.266 17.059 -17.715 1.00 0.00 C ATOM 748 O VAL A 49 9.577 15.873 -17.620 1.00 0.00 O ATOM 749 CB VAL A 49 8.373 17.727 -15.436 1.00 0.00 C ATOM 750 CG1 VAL A 49 8.575 18.738 -14.303 1.00 0.00 C ATOM 751 CG2 VAL A 49 6.929 17.781 -15.950 1.00 0.00 C ATOM 0 H VAL A 49 8.496 19.760 -17.043 1.00 0.00 H new ATOM 0 HA VAL A 49 10.408 17.729 -16.073 1.00 0.00 H new ATOM 0 HB VAL A 49 8.508 16.705 -15.083 1.00 0.00 H new ATOM 0 HG11 VAL A 49 7.822 18.575 -13.532 1.00 0.00 H new ATOM 0 HG12 VAL A 49 9.568 18.609 -13.873 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.478 19.750 -14.697 1.00 0.00 H new ATOM 0 HG21 VAL A 49 6.242 17.596 -15.124 1.00 0.00 H new ATOM 0 HG22 VAL A 49 6.730 18.765 -16.374 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.787 17.020 -16.717 1.00 0.00 H new ATOM 761 N CYS A 50 8.789 17.591 -18.849 1.00 0.00 N ATOM 762 CA CYS A 50 8.613 16.781 -20.048 1.00 0.00 C ATOM 763 C CYS A 50 9.926 16.696 -20.826 1.00 0.00 C ATOM 764 O CYS A 50 10.368 15.601 -21.166 1.00 0.00 O ATOM 765 CB CYS A 50 7.452 17.324 -20.877 1.00 0.00 C ATOM 766 SG CYS A 50 7.353 16.484 -22.474 1.00 0.00 S ATOM 0 H CYS A 50 8.522 18.570 -18.955 1.00 0.00 H new ATOM 0 HA CYS A 50 8.351 15.759 -19.774 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.517 17.190 -20.333 1.00 0.00 H new ATOM 0 HB3 CYS A 50 7.580 18.395 -21.032 1.00 0.00 H new ATOM 0 HG CYS A 50 6.356 16.965 -23.156 1.00 0.00 H new ATOM 772 N GLY A 51 10.552 17.845 -21.109 1.00 0.00 N ATOM 773 CA GLY A 51 11.814 17.900 -21.837 1.00 0.00 C ATOM 774 C GLY A 51 11.634 17.793 -23.354 1.00 0.00 C ATOM 775 O GLY A 51 12.620 17.770 -24.087 1.00 0.00 O ATOM 0 H GLY A 51 10.193 18.760 -20.837 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.322 18.835 -21.602 1.00 0.00 H new ATOM 0 HA3 GLY A 51 12.460 17.091 -21.495 1.00 0.00 H new ATOM 779 N GLN A 52 10.383 17.749 -23.824 1.00 0.00 N ATOM 780 CA GLN A 52 10.014 17.679 -25.235 1.00 0.00 C ATOM 781 C GLN A 52 9.004 18.805 -25.470 1.00 0.00 C ATOM 782 O GLN A 52 7.853 18.532 -25.817 1.00 0.00 O ATOM 783 CB GLN A 52 9.462 16.274 -25.539 1.00 0.00 C ATOM 784 CG GLN A 52 9.515 15.955 -27.040 1.00 0.00 C ATOM 785 CD GLN A 52 10.938 15.719 -27.548 1.00 0.00 C ATOM 786 OE1 GLN A 52 11.771 15.154 -26.846 1.00 0.00 O ATOM 787 NE2 GLN A 52 11.229 16.154 -28.774 1.00 0.00 N ATOM 0 H GLN A 52 9.572 17.762 -23.206 1.00 0.00 H new ATOM 0 HA GLN A 52 10.856 17.821 -25.912 1.00 0.00 H new ATOM 0 HB2 GLN A 52 10.038 15.530 -24.988 1.00 0.00 H new ATOM 0 HB3 GLN A 52 8.432 16.204 -25.188 1.00 0.00 H new ATOM 0 HG2 GLN A 52 8.912 15.069 -27.240 1.00 0.00 H new ATOM 0 HG3 GLN A 52 9.067 16.778 -27.597 1.00 0.00 H new ATOM 0 HE21 GLN A 52 10.514 16.620 -29.333 1.00 0.00 H new ATOM 0 HE22 GLN A 52 12.166 16.021 -29.153 1.00 0.00 H new ATOM 796 N PRO A 53 9.409 20.078 -25.273 1.00 0.00 N ATOM 797 CA PRO A 53 8.523 21.213 -25.436 1.00 0.00 C ATOM 798 C PRO A 53 7.755 21.208 -26.742 1.00 0.00 C ATOM 799 O PRO A 53 6.539 21.303 -26.726 1.00 0.00 O ATOM 800 CB PRO A 53 9.388 22.477 -25.331 1.00 0.00 C ATOM 801 CG PRO A 53 10.823 21.971 -25.449 1.00 0.00 C ATOM 802 CD PRO A 53 10.724 20.565 -24.868 1.00 0.00 C ATOM 0 HA PRO A 53 7.760 21.171 -24.658 1.00 0.00 H new ATOM 0 HB2 PRO A 53 9.151 23.187 -26.124 1.00 0.00 H new ATOM 0 HB3 PRO A 53 9.225 22.991 -24.384 1.00 0.00 H new ATOM 0 HG2 PRO A 53 11.166 21.960 -26.484 1.00 0.00 H new ATOM 0 HG3 PRO A 53 11.521 22.594 -24.889 1.00 0.00 H new ATOM 0 HD2 PRO A 53 11.517 19.923 -25.251 1.00 0.00 H new ATOM 0 HD3 PRO A 53 10.822 20.579 -23.783 1.00 0.00 H new ATOM 810 N GLN A 54 8.475 21.127 -27.856 1.00 0.00 N ATOM 811 CA GLN A 54 7.915 21.193 -29.199 1.00 0.00 C ATOM 812 C GLN A 54 6.825 20.155 -29.437 1.00 0.00 C ATOM 813 O GLN A 54 5.778 20.497 -29.985 1.00 0.00 O ATOM 814 CB GLN A 54 9.040 21.121 -30.245 1.00 0.00 C ATOM 815 CG GLN A 54 10.135 22.194 -30.062 1.00 0.00 C ATOM 816 CD GLN A 54 11.096 22.212 -31.249 1.00 0.00 C ATOM 817 OE1 GLN A 54 11.476 21.161 -31.760 1.00 0.00 O ATOM 818 NE2 GLN A 54 11.495 23.401 -31.700 1.00 0.00 N ATOM 0 H GLN A 54 9.488 21.011 -27.849 1.00 0.00 H new ATOM 0 HA GLN A 54 7.416 22.156 -29.306 1.00 0.00 H new ATOM 0 HB2 GLN A 54 9.501 20.134 -30.201 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.605 21.225 -31.239 1.00 0.00 H new ATOM 0 HG2 GLN A 54 9.672 23.174 -29.951 1.00 0.00 H new ATOM 0 HG3 GLN A 54 10.690 21.998 -29.145 1.00 0.00 H new ATOM 0 HE21 GLN A 54 11.160 24.255 -31.253 1.00 0.00 H new ATOM 0 HE22 GLN A 54 12.135 23.457 -32.492 1.00 0.00 H new ATOM 827 N GLN A 55 7.040 18.902 -29.017 1.00 0.00 N ATOM 828 CA GLN A 55 6.014 17.878 -29.184 1.00 0.00 C ATOM 829 C GLN A 55 4.760 18.316 -28.440 1.00 0.00 C ATOM 830 O GLN A 55 3.653 18.237 -28.969 1.00 0.00 O ATOM 831 CB GLN A 55 6.496 16.502 -28.704 1.00 0.00 C ATOM 832 CG GLN A 55 5.472 15.406 -29.025 1.00 0.00 C ATOM 833 CD GLN A 55 5.910 14.065 -28.444 1.00 0.00 C ATOM 834 OE1 GLN A 55 6.620 13.304 -29.094 1.00 0.00 O ATOM 835 NE2 GLN A 55 5.494 13.771 -27.212 1.00 0.00 N ATOM 0 H GLN A 55 7.898 18.582 -28.569 1.00 0.00 H new ATOM 0 HA GLN A 55 5.790 17.770 -30.245 1.00 0.00 H new ATOM 0 HB2 GLN A 55 7.448 16.263 -29.178 1.00 0.00 H new ATOM 0 HB3 GLN A 55 6.674 16.532 -27.629 1.00 0.00 H new ATOM 0 HG2 GLN A 55 4.499 15.682 -28.620 1.00 0.00 H new ATOM 0 HG3 GLN A 55 5.354 15.318 -30.105 1.00 0.00 H new ATOM 0 HE21 GLN A 55 4.904 14.429 -26.702 1.00 0.00 H new ATOM 0 HE22 GLN A 55 5.765 12.888 -26.779 1.00 0.00 H new ATOM 844 N LEU A 56 4.946 18.793 -27.209 1.00 0.00 N ATOM 845 CA LEU A 56 3.838 19.255 -26.401 1.00 0.00 C ATOM 846 C LEU A 56 3.175 20.482 -27.036 1.00 0.00 C ATOM 847 O LEU A 56 1.955 20.569 -27.062 1.00 0.00 O ATOM 848 CB LEU A 56 4.271 19.492 -24.944 1.00 0.00 C ATOM 849 CG LEU A 56 3.095 19.777 -23.995 1.00 0.00 C ATOM 850 CD1 LEU A 56 2.179 18.552 -23.798 1.00 0.00 C ATOM 851 CD2 LEU A 56 3.668 20.246 -22.655 1.00 0.00 C ATOM 0 H LEU A 56 5.858 18.866 -26.757 1.00 0.00 H new ATOM 0 HA LEU A 56 3.081 18.472 -26.369 1.00 0.00 H new ATOM 0 HB2 LEU A 56 4.812 18.616 -24.587 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.966 20.331 -24.911 1.00 0.00 H new ATOM 0 HG LEU A 56 2.469 20.551 -24.439 1.00 0.00 H new ATOM 0 HD11 LEU A 56 1.366 18.811 -23.119 1.00 0.00 H new ATOM 0 HD12 LEU A 56 1.766 18.248 -24.760 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.757 17.730 -23.376 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.852 20.455 -21.963 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.306 19.466 -22.239 1.00 0.00 H new ATOM 0 HD23 LEU A 56 4.255 21.152 -22.807 1.00 0.00 H new ATOM 863 N LEU A 57 3.937 21.439 -27.571 1.00 0.00 N ATOM 864 CA LEU A 57 3.324 22.614 -28.186 1.00 0.00 C ATOM 865 C LEU A 57 2.485 22.190 -29.394 1.00 0.00 C ATOM 866 O LEU A 57 1.408 22.742 -29.619 1.00 0.00 O ATOM 867 CB LEU A 57 4.336 23.734 -28.494 1.00 0.00 C ATOM 868 CG LEU A 57 5.237 24.189 -27.320 1.00 0.00 C ATOM 869 CD1 LEU A 57 5.822 25.578 -27.594 1.00 0.00 C ATOM 870 CD2 LEU A 57 4.570 24.202 -25.934 1.00 0.00 C ATOM 0 H LEU A 57 4.957 21.424 -27.591 1.00 0.00 H new ATOM 0 HA LEU A 57 2.649 23.067 -27.460 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.979 23.399 -29.308 1.00 0.00 H new ATOM 0 HB3 LEU A 57 3.785 24.601 -28.858 1.00 0.00 H new ATOM 0 HG LEU A 57 6.015 23.427 -27.276 1.00 0.00 H new ATOM 0 HD11 LEU A 57 6.452 25.879 -26.757 1.00 0.00 H new ATOM 0 HD12 LEU A 57 6.419 25.548 -28.505 1.00 0.00 H new ATOM 0 HD13 LEU A 57 5.012 26.297 -27.715 1.00 0.00 H new ATOM 0 HD21 LEU A 57 5.290 24.536 -25.187 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.718 24.882 -25.946 1.00 0.00 H new ATOM 0 HD23 LEU A 57 4.228 23.197 -25.685 1.00 0.00 H new ATOM 882 N GLN A 58 2.943 21.182 -30.144 1.00 0.00 N ATOM 883 CA GLN A 58 2.184 20.657 -31.268 1.00 0.00 C ATOM 884 C GLN A 58 0.895 20.033 -30.722 1.00 0.00 C ATOM 885 O GLN A 58 -0.187 20.296 -31.238 1.00 0.00 O ATOM 886 CB GLN A 58 3.031 19.651 -32.059 1.00 0.00 C ATOM 887 CG GLN A 58 4.171 20.358 -32.807 1.00 0.00 C ATOM 888 CD GLN A 58 5.249 19.382 -33.276 1.00 0.00 C ATOM 889 OE1 GLN A 58 4.979 18.206 -33.503 1.00 0.00 O ATOM 890 NE2 GLN A 58 6.483 19.865 -33.421 1.00 0.00 N ATOM 0 H GLN A 58 3.837 20.718 -29.987 1.00 0.00 H new ATOM 0 HA GLN A 58 1.920 21.453 -31.964 1.00 0.00 H new ATOM 0 HB2 GLN A 58 3.444 18.905 -31.380 1.00 0.00 H new ATOM 0 HB3 GLN A 58 2.400 19.119 -32.771 1.00 0.00 H new ATOM 0 HG2 GLN A 58 3.764 20.888 -33.668 1.00 0.00 H new ATOM 0 HG3 GLN A 58 4.621 21.107 -32.155 1.00 0.00 H new ATOM 0 HE21 GLN A 58 6.673 20.848 -33.224 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.238 19.252 -33.729 1.00 0.00 H new ATOM 899 N VAL A 59 1.016 19.228 -29.660 1.00 0.00 N ATOM 900 CA VAL A 59 -0.108 18.564 -29.004 1.00 0.00 C ATOM 901 C VAL A 59 -1.141 19.562 -28.484 1.00 0.00 C ATOM 902 O VAL A 59 -2.338 19.305 -28.565 1.00 0.00 O ATOM 903 CB VAL A 59 0.367 17.525 -27.967 1.00 0.00 C ATOM 904 CG1 VAL A 59 0.220 17.846 -26.467 1.00 0.00 C ATOM 905 CG2 VAL A 59 -0.367 16.233 -28.199 1.00 0.00 C ATOM 0 H VAL A 59 1.916 19.018 -29.227 1.00 0.00 H new ATOM 0 HA VAL A 59 -0.643 17.984 -29.756 1.00 0.00 H new ATOM 0 HB VAL A 59 1.442 17.498 -28.144 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.601 17.012 -25.877 1.00 0.00 H new ATOM 0 HG12 VAL A 59 0.787 18.747 -26.230 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.832 18.007 -26.231 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -0.038 15.492 -27.471 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.439 16.399 -28.089 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -0.157 15.871 -29.205 1.00 0.00 H new ATOM 915 N LEU A 60 -0.682 20.714 -27.992 1.00 0.00 N ATOM 916 CA LEU A 60 -1.538 21.770 -27.467 1.00 0.00 C ATOM 917 C LEU A 60 -2.146 22.576 -28.614 1.00 0.00 C ATOM 918 O LEU A 60 -3.229 23.124 -28.440 1.00 0.00 O ATOM 919 CB LEU A 60 -0.679 22.750 -26.644 1.00 0.00 C ATOM 920 CG LEU A 60 -0.507 22.476 -25.143 1.00 0.00 C ATOM 921 CD1 LEU A 60 -1.665 23.107 -24.360 1.00 0.00 C ATOM 922 CD2 LEU A 60 -0.433 21.003 -24.745 1.00 0.00 C ATOM 0 H LEU A 60 0.312 20.939 -27.948 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.320 21.311 -26.863 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.314 22.781 -27.093 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.110 23.745 -26.754 1.00 0.00 H new ATOM 0 HG LEU A 60 0.459 22.918 -24.899 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.536 22.908 -23.296 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.675 24.184 -24.529 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.609 22.678 -24.697 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.312 20.924 -23.665 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.351 20.498 -25.045 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.417 20.534 -25.241 1.00 0.00 H new ATOM 934 N GLN A 61 -1.470 22.664 -29.765 1.00 0.00 N ATOM 935 CA GLN A 61 -1.948 23.429 -30.909 1.00 0.00 C ATOM 936 C GLN A 61 -2.947 22.641 -31.752 1.00 0.00 C ATOM 937 O GLN A 61 -3.856 23.235 -32.329 1.00 0.00 O ATOM 938 CB GLN A 61 -0.740 23.923 -31.733 1.00 0.00 C ATOM 939 CG GLN A 61 -1.101 24.683 -33.022 1.00 0.00 C ATOM 940 CD GLN A 61 -1.480 23.771 -34.191 1.00 0.00 C ATOM 941 OE1 GLN A 61 -0.989 22.651 -34.305 1.00 0.00 O ATOM 942 NE2 GLN A 61 -2.358 24.249 -35.073 1.00 0.00 N ATOM 0 H GLN A 61 -0.574 22.203 -29.924 1.00 0.00 H new ATOM 0 HA GLN A 61 -2.498 24.298 -30.547 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -0.131 24.573 -31.104 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -0.123 23.064 -31.996 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -1.932 25.357 -32.815 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -0.254 25.303 -33.317 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -2.747 25.184 -34.950 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -2.640 23.680 -35.871 1.00 0.00 H new ATOM 951 N GLN A 62 -2.761 21.322 -31.854 1.00 0.00 N ATOM 952 CA GLN A 62 -3.583 20.467 -32.698 1.00 0.00 C ATOM 953 C GLN A 62 -4.820 19.907 -32.002 1.00 0.00 C ATOM 954 O GLN A 62 -5.801 19.595 -32.674 1.00 0.00 O ATOM 955 CB GLN A 62 -2.701 19.418 -33.397 1.00 0.00 C ATOM 956 CG GLN A 62 -2.353 18.125 -32.646 1.00 0.00 C ATOM 957 CD GLN A 62 -3.542 17.220 -32.336 1.00 0.00 C ATOM 958 OE1 GLN A 62 -3.772 16.862 -31.185 1.00 0.00 O ATOM 959 NE2 GLN A 62 -4.307 16.844 -33.361 1.00 0.00 N ATOM 0 H GLN A 62 -2.031 20.820 -31.349 1.00 0.00 H new ATOM 0 HA GLN A 62 -4.023 21.087 -33.479 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -3.196 19.137 -34.326 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.764 19.904 -33.670 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.631 17.562 -33.238 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.861 18.388 -31.709 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -4.086 17.161 -34.305 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -5.113 16.240 -33.201 1.00 0.00 H new ATOM 968 N THR A 63 -4.795 19.778 -30.671 1.00 0.00 N ATOM 969 CA THR A 63 -5.933 19.233 -29.942 1.00 0.00 C ATOM 970 C THR A 63 -7.022 20.290 -29.759 1.00 0.00 C ATOM 971 O THR A 63 -8.195 19.931 -29.662 1.00 0.00 O ATOM 972 CB THR A 63 -5.476 18.612 -28.618 1.00 0.00 C ATOM 973 OG1 THR A 63 -6.518 17.828 -28.064 1.00 0.00 O ATOM 974 CG2 THR A 63 -5.066 19.679 -27.607 1.00 0.00 C ATOM 0 H THR A 63 -4.003 20.043 -30.085 1.00 0.00 H new ATOM 0 HA THR A 63 -6.379 18.431 -30.530 1.00 0.00 H new ATOM 0 HB THR A 63 -4.609 17.987 -28.833 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.446 17.832 -27.087 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.748 19.200 -26.681 1.00 0.00 H new ATOM 0 HG22 THR A 63 -4.243 20.267 -28.012 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.914 20.333 -27.404 1.00 0.00 H new ATOM 982 N LEU A 64 -6.635 21.574 -29.727 1.00 0.00 N ATOM 983 CA LEU A 64 -7.543 22.711 -29.580 1.00 0.00 C ATOM 984 C LEU A 64 -6.772 24.010 -29.828 1.00 0.00 C ATOM 985 O LEU A 64 -5.569 24.026 -29.597 1.00 0.00 O ATOM 986 CB LEU A 64 -8.221 22.702 -28.190 1.00 0.00 C ATOM 987 CG LEU A 64 -7.293 22.834 -26.966 1.00 0.00 C ATOM 988 CD1 LEU A 64 -7.012 24.293 -26.574 1.00 0.00 C ATOM 989 CD2 LEU A 64 -7.976 22.155 -25.773 1.00 0.00 C ATOM 0 H LEU A 64 -5.657 21.853 -29.805 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.340 22.635 -30.319 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -8.944 23.517 -28.159 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.784 21.774 -28.092 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.342 22.371 -27.229 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -6.353 24.316 -25.706 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.533 24.808 -27.407 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -7.950 24.792 -26.331 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.337 22.236 -24.894 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.930 22.643 -25.574 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.147 21.103 -26.002 1.00 0.00 H new ATOM 1001 N PRO A 65 -7.420 25.101 -30.281 1.00 0.00 N ATOM 1002 CA PRO A 65 -6.758 26.382 -30.505 1.00 0.00 C ATOM 1003 C PRO A 65 -6.357 26.969 -29.139 1.00 0.00 C ATOM 1004 O PRO A 65 -7.243 27.263 -28.339 1.00 0.00 O ATOM 1005 CB PRO A 65 -7.796 27.254 -31.221 1.00 0.00 C ATOM 1006 CG PRO A 65 -9.136 26.680 -30.762 1.00 0.00 C ATOM 1007 CD PRO A 65 -8.836 25.190 -30.602 1.00 0.00 C ATOM 0 HA PRO A 65 -5.850 26.307 -31.103 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.695 28.304 -30.945 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -7.687 27.197 -32.304 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.467 27.128 -29.825 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -9.923 26.857 -31.495 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.444 24.752 -29.811 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -9.064 24.645 -31.518 1.00 0.00 H new ATOM 1015 N PRO A 66 -5.057 27.122 -28.827 1.00 0.00 N ATOM 1016 CA PRO A 66 -4.583 27.606 -27.539 1.00 0.00 C ATOM 1017 C PRO A 66 -4.229 29.106 -27.542 1.00 0.00 C ATOM 1018 O PRO A 66 -3.105 29.469 -27.889 1.00 0.00 O ATOM 1019 CB PRO A 66 -3.352 26.732 -27.308 1.00 0.00 C ATOM 1020 CG PRO A 66 -2.718 26.644 -28.701 1.00 0.00 C ATOM 1021 CD PRO A 66 -3.910 26.776 -29.656 1.00 0.00 C ATOM 0 HA PRO A 66 -5.338 27.533 -26.756 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -2.671 27.179 -26.583 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -3.623 25.748 -26.926 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -1.989 27.439 -28.859 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -2.195 25.698 -28.843 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -3.725 27.545 -30.406 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -4.084 25.843 -30.193 1.00 0.00 H new ATOM 1029 N PRO A 67 -5.135 30.015 -27.135 1.00 0.00 N ATOM 1030 CA PRO A 67 -4.826 31.440 -27.070 1.00 0.00 C ATOM 1031 C PRO A 67 -3.833 31.738 -25.938 1.00 0.00 C ATOM 1032 O PRO A 67 -3.160 32.762 -25.952 1.00 0.00 O ATOM 1033 CB PRO A 67 -6.167 32.133 -26.819 1.00 0.00 C ATOM 1034 CG PRO A 67 -6.952 31.083 -26.034 1.00 0.00 C ATOM 1035 CD PRO A 67 -6.497 29.776 -26.682 1.00 0.00 C ATOM 0 HA PRO A 67 -4.354 31.792 -27.987 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.045 33.055 -26.250 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -6.666 32.397 -27.751 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.716 31.112 -24.970 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.028 31.228 -26.126 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.534 28.952 -25.969 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.145 29.506 -27.516 1.00 0.00 H new ATOM 1043 N VAL A 68 -3.736 30.838 -24.955 1.00 0.00 N ATOM 1044 CA VAL A 68 -2.838 30.957 -23.815 1.00 0.00 C ATOM 1045 C VAL A 68 -1.400 30.774 -24.283 1.00 0.00 C ATOM 1046 O VAL A 68 -0.534 31.573 -23.952 1.00 0.00 O ATOM 1047 CB VAL A 68 -3.213 29.944 -22.725 1.00 0.00 C ATOM 1048 CG1 VAL A 68 -2.107 29.910 -21.671 1.00 0.00 C ATOM 1049 CG2 VAL A 68 -4.550 30.362 -22.103 1.00 0.00 C ATOM 0 H VAL A 68 -4.297 29.986 -24.935 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.934 31.951 -23.377 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.318 28.945 -23.148 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.367 29.192 -20.893 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -1.168 29.614 -22.138 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -1.996 30.900 -21.228 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -4.828 29.650 -21.326 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -4.453 31.356 -21.666 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.321 30.378 -22.874 1.00 0.00 H new ATOM 1059 N PHE A 69 -1.161 29.718 -25.059 1.00 0.00 N ATOM 1060 CA PHE A 69 0.139 29.392 -25.639 1.00 0.00 C ATOM 1061 C PHE A 69 0.826 30.642 -26.194 1.00 0.00 C ATOM 1062 O PHE A 69 1.993 30.885 -25.898 1.00 0.00 O ATOM 1063 CB PHE A 69 -0.049 28.283 -26.682 1.00 0.00 C ATOM 1064 CG PHE A 69 0.855 28.294 -27.897 1.00 0.00 C ATOM 1065 CD1 PHE A 69 0.464 29.034 -29.028 1.00 0.00 C ATOM 1066 CD2 PHE A 69 2.062 27.573 -27.912 1.00 0.00 C ATOM 1067 CE1 PHE A 69 1.274 29.059 -30.173 1.00 0.00 C ATOM 1068 CE2 PHE A 69 2.872 27.599 -29.063 1.00 0.00 C ATOM 1069 CZ PHE A 69 2.479 28.339 -30.190 1.00 0.00 C ATOM 0 H PHE A 69 -1.888 29.047 -25.308 1.00 0.00 H new ATOM 0 HA PHE A 69 0.812 29.014 -24.869 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.079 27.325 -26.178 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.080 28.324 -27.032 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.464 29.586 -29.015 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.366 27.003 -27.046 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.972 29.630 -31.038 1.00 0.00 H new ATOM 0 HE2 PHE A 69 3.800 27.047 -29.079 1.00 0.00 H new ATOM 0 HZ PHE A 69 3.104 28.354 -31.070 1.00 0.00 H new ATOM 1079 N GLN A 70 0.108 31.450 -26.977 1.00 0.00 N ATOM 1080 CA GLN A 70 0.697 32.666 -27.538 1.00 0.00 C ATOM 1081 C GLN A 70 1.053 33.678 -26.440 1.00 0.00 C ATOM 1082 O GLN A 70 2.093 34.321 -26.525 1.00 0.00 O ATOM 1083 CB GLN A 70 -0.126 33.249 -28.692 1.00 0.00 C ATOM 1084 CG GLN A 70 -1.578 33.557 -28.331 1.00 0.00 C ATOM 1085 CD GLN A 70 -2.312 34.224 -29.486 1.00 0.00 C ATOM 1086 OE1 GLN A 70 -2.543 35.430 -29.469 1.00 0.00 O ATOM 1087 NE2 GLN A 70 -2.690 33.442 -30.496 1.00 0.00 N ATOM 0 H GLN A 70 -0.866 31.288 -27.233 1.00 0.00 H new ATOM 0 HA GLN A 70 1.644 32.387 -28.001 1.00 0.00 H new ATOM 0 HB2 GLN A 70 0.353 34.165 -29.039 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.111 32.546 -29.525 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -2.090 32.634 -28.058 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.606 34.207 -27.457 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -2.480 32.444 -30.475 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -3.189 33.841 -31.291 1.00 0.00 H new ATOM 1096 N MET A 71 0.217 33.787 -25.400 1.00 0.00 N ATOM 1097 CA MET A 71 0.412 34.644 -24.229 1.00 0.00 C ATOM 1098 C MET A 71 1.674 34.166 -23.490 1.00 0.00 C ATOM 1099 O MET A 71 2.419 34.964 -22.920 1.00 0.00 O ATOM 1100 CB MET A 71 -0.814 34.658 -23.301 1.00 0.00 C ATOM 1101 CG MET A 71 -2.110 35.098 -24.006 1.00 0.00 C ATOM 1102 SD MET A 71 -3.023 36.431 -23.187 1.00 0.00 S ATOM 1103 CE MET A 71 -3.490 35.567 -21.672 1.00 0.00 C ATOM 0 H MET A 71 -0.652 33.255 -25.352 1.00 0.00 H new ATOM 0 HA MET A 71 0.540 35.675 -24.559 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.956 33.661 -22.884 1.00 0.00 H new ATOM 0 HB3 MET A 71 -0.619 35.328 -22.464 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.863 35.418 -25.018 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.767 34.233 -24.097 1.00 0.00 H new ATOM 0 HE1 MET A 71 -4.096 36.225 -21.050 1.00 0.00 H new ATOM 0 HE2 MET A 71 -4.064 34.675 -21.924 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.592 35.278 -21.126 1.00 0.00 H new ATOM 1113 N LEU A 72 1.936 32.854 -23.532 1.00 0.00 N ATOM 1114 CA LEU A 72 3.110 32.218 -22.964 1.00 0.00 C ATOM 1115 C LEU A 72 4.317 32.662 -23.778 1.00 0.00 C ATOM 1116 O LEU A 72 5.366 32.963 -23.213 1.00 0.00 O ATOM 1117 CB LEU A 72 2.917 30.682 -22.885 1.00 0.00 C ATOM 1118 CG LEU A 72 4.128 29.799 -23.244 1.00 0.00 C ATOM 1119 CD1 LEU A 72 5.208 29.810 -22.156 1.00 0.00 C ATOM 1120 CD2 LEU A 72 3.662 28.351 -23.426 1.00 0.00 C ATOM 0 H LEU A 72 1.306 32.189 -23.982 1.00 0.00 H new ATOM 0 HA LEU A 72 3.276 32.526 -21.932 1.00 0.00 H new ATOM 0 HB2 LEU A 72 2.606 30.433 -21.870 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.094 30.411 -23.546 1.00 0.00 H new ATOM 0 HG LEU A 72 4.557 30.205 -24.160 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.038 29.172 -22.460 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.568 30.829 -22.011 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.787 29.437 -21.222 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.516 27.723 -23.680 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.212 27.994 -22.499 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.926 28.304 -24.228 1.00 0.00 H new ATOM 1132 N LEU A 73 4.169 32.717 -25.103 1.00 0.00 N ATOM 1133 CA LEU A 73 5.284 33.128 -25.952 1.00 0.00 C ATOM 1134 C LEU A 73 5.620 34.608 -25.799 1.00 0.00 C ATOM 1135 O LEU A 73 6.778 35.003 -25.908 1.00 0.00 O ATOM 1136 CB LEU A 73 5.041 32.827 -27.437 1.00 0.00 C ATOM 1137 CG LEU A 73 4.686 31.383 -27.827 1.00 0.00 C ATOM 1138 CD1 LEU A 73 4.561 31.349 -29.347 1.00 0.00 C ATOM 1139 CD2 LEU A 73 5.685 30.330 -27.342 1.00 0.00 C ATOM 0 H LEU A 73 3.309 32.488 -25.601 1.00 0.00 H new ATOM 0 HA LEU A 73 6.130 32.534 -25.607 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.235 33.475 -27.783 1.00 0.00 H new ATOM 0 HB3 LEU A 73 5.938 33.112 -27.988 1.00 0.00 H new ATOM 0 HG LEU A 73 3.753 31.116 -27.331 1.00 0.00 H new ATOM 0 HD11 LEU A 73 4.309 30.339 -29.669 1.00 0.00 H new ATOM 0 HD12 LEU A 73 3.777 32.037 -29.663 1.00 0.00 H new ATOM 0 HD13 LEU A 73 5.508 31.647 -29.797 1.00 0.00 H new ATOM 0 HD21 LEU A 73 5.356 29.341 -27.662 1.00 0.00 H new ATOM 0 HD22 LEU A 73 6.668 30.539 -27.764 1.00 0.00 H new ATOM 0 HD23 LEU A 73 5.744 30.358 -26.254 1.00 0.00 H new ATOM 1151 N THR A 74 4.602 35.424 -25.557 1.00 0.00 N ATOM 1152 CA THR A 74 4.697 36.857 -25.398 1.00 0.00 C ATOM 1153 C THR A 74 5.215 37.172 -23.999 1.00 0.00 C ATOM 1154 O THR A 74 5.871 38.193 -23.810 1.00 0.00 O ATOM 1155 CB THR A 74 3.290 37.409 -25.643 1.00 0.00 C ATOM 1156 OG1 THR A 74 2.414 36.593 -24.970 1.00 0.00 O ATOM 1157 CG2 THR A 74 2.846 37.444 -27.110 1.00 0.00 C ATOM 0 H THR A 74 3.646 35.082 -25.463 1.00 0.00 H new ATOM 0 HA THR A 74 5.395 37.316 -26.098 1.00 0.00 H new ATOM 0 HB THR A 74 3.299 38.444 -25.302 1.00 0.00 H new ATOM 0 HG1 THR A 74 2.819 36.303 -24.126 1.00 0.00 H new ATOM 0 HG21 THR A 74 1.837 37.851 -27.175 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.528 38.073 -27.682 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.857 36.433 -27.518 1.00 0.00 H new ATOM 1165 N LYS A 75 4.949 36.294 -23.019 1.00 0.00 N ATOM 1166 CA LYS A 75 5.438 36.488 -21.663 1.00 0.00 C ATOM 1167 C LYS A 75 6.971 36.397 -21.577 1.00 0.00 C ATOM 1168 O LYS A 75 7.539 36.757 -20.547 1.00 0.00 O ATOM 1169 CB LYS A 75 4.767 35.436 -20.767 1.00 0.00 C ATOM 1170 CG LYS A 75 3.527 35.950 -20.016 1.00 0.00 C ATOM 1171 CD LYS A 75 3.823 36.825 -18.788 1.00 0.00 C ATOM 1172 CE LYS A 75 4.548 36.062 -17.672 1.00 0.00 C ATOM 1173 NZ LYS A 75 4.689 36.891 -16.462 1.00 0.00 N ATOM 0 H LYS A 75 4.397 35.446 -23.150 1.00 0.00 H new ATOM 0 HA LYS A 75 5.182 37.493 -21.327 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.479 34.582 -21.380 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.495 35.075 -20.040 1.00 0.00 H new ATOM 0 HG2 LYS A 75 2.912 36.523 -20.711 1.00 0.00 H new ATOM 0 HG3 LYS A 75 2.934 35.093 -19.697 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.431 37.677 -19.093 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.887 37.225 -18.399 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.996 35.154 -17.431 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.533 35.753 -18.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.284 36.395 -15.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.132 37.798 -16.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.750 37.066 -16.050 1.00 0.00 H new ATOM 1588 N LEU B 7 -5.348 13.779 -25.326 1.00 0.00 N ATOM 1589 CA LEU B 7 -4.063 13.505 -25.948 1.00 0.00 C ATOM 1590 C LEU B 7 -3.121 12.732 -25.029 1.00 0.00 C ATOM 1591 O LEU B 7 -2.458 11.826 -25.514 1.00 0.00 O ATOM 1592 CB LEU B 7 -3.455 14.811 -26.477 1.00 0.00 C ATOM 1593 CG LEU B 7 -3.194 15.867 -25.388 1.00 0.00 C ATOM 1594 CD1 LEU B 7 -1.755 15.820 -24.890 1.00 0.00 C ATOM 1595 CD2 LEU B 7 -3.478 17.268 -25.889 1.00 0.00 C ATOM 0 HA LEU B 7 -4.224 12.843 -26.799 1.00 0.00 H new ATOM 0 HB2 LEU B 7 -2.516 14.584 -26.981 1.00 0.00 H new ATOM 0 HB3 LEU B 7 -4.125 15.234 -27.226 1.00 0.00 H new ATOM 0 HG LEU B 7 -3.871 15.627 -24.568 1.00 0.00 H new ATOM 0 HD11 LEU B 7 -1.611 16.580 -24.122 1.00 0.00 H new ATOM 0 HD12 LEU B 7 -1.547 14.836 -24.470 1.00 0.00 H new ATOM 0 HD13 LEU B 7 -1.076 16.010 -25.721 1.00 0.00 H new ATOM 0 HD21 LEU B 7 -3.282 17.986 -25.092 1.00 0.00 H new ATOM 0 HD22 LEU B 7 -2.835 17.487 -26.741 1.00 0.00 H new ATOM 0 HD23 LEU B 7 -4.522 17.341 -26.194 1.00 0.00 H new ATOM 1607 N LEU B 8 -3.052 13.061 -23.731 1.00 0.00 N ATOM 1608 CA LEU B 8 -2.178 12.415 -22.752 1.00 0.00 C ATOM 1609 C LEU B 8 -2.790 11.055 -22.383 1.00 0.00 C ATOM 1610 O LEU B 8 -3.322 10.835 -21.298 1.00 0.00 O ATOM 1611 CB LEU B 8 -1.952 13.294 -21.510 1.00 0.00 C ATOM 1612 CG LEU B 8 -1.362 14.725 -21.598 1.00 0.00 C ATOM 1613 CD1 LEU B 8 -0.038 14.876 -22.363 1.00 0.00 C ATOM 1614 CD2 LEU B 8 -2.433 15.775 -21.922 1.00 0.00 C ATOM 0 H LEU B 8 -3.620 13.805 -23.326 1.00 0.00 H new ATOM 0 HA LEU B 8 -1.192 12.266 -23.192 1.00 0.00 H new ATOM 0 HB2 LEU B 8 -2.918 13.385 -21.013 1.00 0.00 H new ATOM 0 HB3 LEU B 8 -1.301 12.729 -20.842 1.00 0.00 H new ATOM 0 HG LEU B 8 -1.025 14.943 -20.585 1.00 0.00 H new ATOM 0 HD11 LEU B 8 0.270 15.921 -22.354 1.00 0.00 H new ATOM 0 HD12 LEU B 8 0.730 14.267 -21.885 1.00 0.00 H new ATOM 0 HD13 LEU B 8 -0.173 14.547 -23.393 1.00 0.00 H new ATOM 0 HD21 LEU B 8 -1.972 16.761 -21.973 1.00 0.00 H new ATOM 0 HD22 LEU B 8 -2.895 15.540 -22.881 1.00 0.00 H new ATOM 0 HD23 LEU B 8 -3.195 15.771 -21.142 1.00 0.00 H new