USER MOD reduce.3.24.130724 H: found=0, std=0, add=515, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 516 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 18 THR OG1 : rot 180:sc= -0.116 USER MOD Single : A 20 GLN : amide:sc= -0.396 X(o=-0.4,f=-0.1) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0179 USER MOD Single : A 38 LYS NZ :NH3+ 136:sc= 1.22 (180deg=0.393) USER MOD Single : A 41 GLN : amide:sc= -0.0177 K(o=-0.018,f=-0.64) USER MOD Single : A 45 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.055) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -2.59 K(o=-2.6,f=-7.7!) USER MOD Single : A 54 SER OG : rot 13:sc= 0.688 USER MOD Single : A 57 GLN : amide:sc= -1.16 K(o=-1.2,f=-1.9!) USER MOD Single : A 61 HIS : no HE2:sc= -0.07 X(o=-0.07,f=-0.35) USER MOD Single : A 73 ASN : amide:sc= -0.0626 X(o=-0.063,f=-0.22) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -1.5 K(o=-1.5,f=-5.7!) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.0167 USER MOD ----------------------------------------------------------------- ATOM 198 N ARG A 16 4.858 -14.637 6.743 1.00 0.00 N ATOM 199 CA ARG A 16 4.533 -13.233 6.562 1.00 0.00 C ATOM 200 C ARG A 16 5.558 -12.565 5.641 1.00 0.00 C ATOM 201 O ARG A 16 6.762 -12.659 5.876 1.00 0.00 O ATOM 202 CB ARG A 16 4.507 -12.496 7.903 1.00 0.00 C ATOM 203 CG ARG A 16 3.258 -12.865 8.706 1.00 0.00 C ATOM 204 CD ARG A 16 3.605 -13.816 9.853 1.00 0.00 C ATOM 205 NE ARG A 16 2.991 -13.337 11.111 1.00 0.00 N ATOM 206 CZ ARG A 16 2.784 -14.108 12.188 1.00 0.00 C ATOM 207 NH1 ARG A 16 3.142 -15.400 12.165 1.00 0.00 N ATOM 208 NH2 ARG A 16 2.221 -13.588 13.286 1.00 0.00 N ATOM 0 HA ARG A 16 3.542 -13.178 6.110 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.400 -12.745 8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 16 4.529 -11.420 7.731 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.798 -11.961 9.105 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.525 -13.333 8.050 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.249 -14.820 9.624 1.00 0.00 H new ATOM 0 HD3 ARG A 16 4.687 -13.880 9.968 1.00 0.00 H new ATOM 0 HE ARG A 16 2.707 -12.359 11.162 1.00 0.00 H new ATOM 0 HH11 ARG A 16 3.571 -15.795 11.329 1.00 0.00 H new ATOM 0 HH12 ARG A 16 2.985 -15.987 12.984 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.949 -12.605 13.303 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.064 -14.175 14.105 1.00 0.00 H new ATOM 222 N ILE A 17 5.042 -11.907 4.614 1.00 0.00 N ATOM 223 CA ILE A 17 5.897 -11.224 3.658 1.00 0.00 C ATOM 224 C ILE A 17 5.817 -9.715 3.895 1.00 0.00 C ATOM 225 O ILE A 17 4.858 -9.227 4.491 1.00 0.00 O ATOM 226 CB ILE A 17 5.542 -11.642 2.229 1.00 0.00 C ATOM 227 CG1 ILE A 17 4.152 -11.136 1.839 1.00 0.00 C ATOM 228 CG2 ILE A 17 5.672 -13.156 2.052 1.00 0.00 C ATOM 229 CD1 ILE A 17 4.198 -9.661 1.434 1.00 0.00 C ATOM 0 H ILE A 17 4.043 -11.832 4.423 1.00 0.00 H new ATOM 0 HA ILE A 17 6.938 -11.514 3.802 1.00 0.00 H new ATOM 0 HB ILE A 17 6.256 -11.176 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.763 -11.731 1.013 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.466 -11.266 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.414 -13.426 1.028 1.00 0.00 H new ATOM 0 HG22 ILE A 17 6.698 -13.460 2.260 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.997 -13.662 2.742 1.00 0.00 H new ATOM 0 HD11 ILE A 17 3.197 -9.327 1.162 1.00 0.00 H new ATOM 0 HD12 ILE A 17 4.564 -9.065 2.270 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.866 -9.538 0.581 1.00 0.00 H new ATOM 241 N THR A 18 6.837 -9.018 3.416 1.00 0.00 N ATOM 242 CA THR A 18 6.894 -7.574 3.568 1.00 0.00 C ATOM 243 C THR A 18 7.294 -6.914 2.248 1.00 0.00 C ATOM 244 O THR A 18 7.867 -7.562 1.374 1.00 0.00 O ATOM 245 CB THR A 18 7.851 -7.258 4.720 1.00 0.00 C ATOM 246 OG1 THR A 18 7.428 -8.123 5.770 1.00 0.00 O ATOM 247 CG2 THR A 18 7.640 -5.853 5.287 1.00 0.00 C ATOM 0 H THR A 18 7.631 -9.427 2.922 1.00 0.00 H new ATOM 0 HA THR A 18 5.915 -7.163 3.817 1.00 0.00 H new ATOM 0 HB THR A 18 8.880 -7.360 4.375 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.996 -7.985 6.556 1.00 0.00 H new ATOM 0 HG21 THR A 18 8.344 -5.680 6.101 1.00 0.00 H new ATOM 0 HG22 THR A 18 7.805 -5.115 4.502 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.621 -5.762 5.663 1.00 0.00 H new ATOM 255 N PHE A 19 6.975 -5.632 2.144 1.00 0.00 N ATOM 256 CA PHE A 19 7.294 -4.876 0.944 1.00 0.00 C ATOM 257 C PHE A 19 7.421 -3.383 1.254 1.00 0.00 C ATOM 258 O PHE A 19 6.967 -2.922 2.300 1.00 0.00 O ATOM 259 CB PHE A 19 6.138 -5.085 -0.036 1.00 0.00 C ATOM 260 CG PHE A 19 4.774 -4.658 0.510 1.00 0.00 C ATOM 261 CD1 PHE A 19 4.357 -3.371 0.368 1.00 0.00 C ATOM 262 CD2 PHE A 19 3.978 -5.565 1.137 1.00 0.00 C ATOM 263 CE1 PHE A 19 3.091 -2.974 0.875 1.00 0.00 C ATOM 264 CE2 PHE A 19 2.712 -5.168 1.644 1.00 0.00 C ATOM 265 CZ PHE A 19 2.296 -3.882 1.502 1.00 0.00 C ATOM 0 H PHE A 19 6.499 -5.098 2.871 1.00 0.00 H new ATOM 0 HA PHE A 19 8.244 -5.216 0.531 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.344 -4.526 -0.949 1.00 0.00 H new ATOM 0 HB3 PHE A 19 6.094 -6.139 -0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.989 -2.651 -0.130 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.308 -6.587 1.249 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.760 -1.952 0.763 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.080 -5.888 2.142 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.333 -3.581 1.887 1.00 0.00 H new ATOM 275 N GLN A 20 8.040 -2.669 0.325 1.00 0.00 N ATOM 276 CA GLN A 20 8.232 -1.238 0.486 1.00 0.00 C ATOM 277 C GLN A 20 7.217 -0.468 -0.361 1.00 0.00 C ATOM 278 O GLN A 20 6.649 -1.014 -1.305 1.00 0.00 O ATOM 279 CB GLN A 20 9.664 -0.834 0.128 1.00 0.00 C ATOM 280 CG GLN A 20 10.586 -0.950 1.343 1.00 0.00 C ATOM 281 CD GLN A 20 11.864 -1.714 0.990 1.00 0.00 C ATOM 282 OE1 GLN A 20 12.971 -1.290 1.277 1.00 0.00 O ATOM 283 NE2 GLN A 20 11.649 -2.862 0.354 1.00 0.00 N ATOM 0 H GLN A 20 8.415 -3.055 -0.542 1.00 0.00 H new ATOM 0 HA GLN A 20 8.069 -0.984 1.533 1.00 0.00 H new ATOM 0 HB2 GLN A 20 10.035 -1.469 -0.676 1.00 0.00 H new ATOM 0 HB3 GLN A 20 9.674 0.190 -0.244 1.00 0.00 H new ATOM 0 HG2 GLN A 20 10.842 0.045 1.706 1.00 0.00 H new ATOM 0 HG3 GLN A 20 10.064 -1.461 2.152 1.00 0.00 H new ATOM 0 HE21 GLN A 20 10.696 -3.158 0.144 1.00 0.00 H new ATOM 0 HE22 GLN A 20 12.437 -3.446 0.076 1.00 0.00 H new ATOM 292 N LEU A 21 7.019 0.789 0.009 1.00 0.00 N ATOM 293 CA LEU A 21 6.082 1.640 -0.705 1.00 0.00 C ATOM 294 C LEU A 21 6.700 3.027 -0.893 1.00 0.00 C ATOM 295 O LEU A 21 7.511 3.465 -0.078 1.00 0.00 O ATOM 296 CB LEU A 21 4.728 1.662 0.008 1.00 0.00 C ATOM 297 CG LEU A 21 3.507 1.359 -0.863 1.00 0.00 C ATOM 298 CD1 LEU A 21 2.209 1.614 -0.094 1.00 0.00 C ATOM 299 CD2 LEU A 21 3.560 2.144 -2.175 1.00 0.00 C ATOM 0 H LEU A 21 7.491 1.238 0.794 1.00 0.00 H new ATOM 0 HA LEU A 21 5.886 1.240 -1.700 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.757 0.939 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.593 2.645 0.459 1.00 0.00 H new ATOM 0 HG LEU A 21 3.526 0.300 -1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.356 1.391 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 21 2.177 0.974 0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 21 2.168 2.659 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.680 1.910 -2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 21 3.578 3.212 -1.959 1.00 0.00 H new ATOM 0 HD23 LEU A 21 4.459 1.870 -2.727 1.00 0.00 H new ATOM 311 N GLU A 22 6.294 3.679 -1.972 1.00 0.00 N ATOM 312 CA GLU A 22 6.799 5.007 -2.278 1.00 0.00 C ATOM 313 C GLU A 22 5.713 6.057 -2.033 1.00 0.00 C ATOM 314 O GLU A 22 4.643 6.001 -2.637 1.00 0.00 O ATOM 315 CB GLU A 22 7.317 5.080 -3.716 1.00 0.00 C ATOM 316 CG GLU A 22 8.648 5.831 -3.782 1.00 0.00 C ATOM 317 CD GLU A 22 9.520 5.302 -4.922 1.00 0.00 C ATOM 318 OE1 GLU A 22 10.050 4.181 -4.758 1.00 0.00 O ATOM 319 OE2 GLU A 22 9.638 6.030 -5.931 1.00 0.00 O ATOM 0 H GLU A 22 5.621 3.313 -2.645 1.00 0.00 H new ATOM 0 HA GLU A 22 7.637 5.217 -1.614 1.00 0.00 H new ATOM 0 HB2 GLU A 22 7.444 4.072 -4.112 1.00 0.00 H new ATOM 0 HB3 GLU A 22 6.582 5.580 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 22 8.462 6.895 -3.925 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.177 5.724 -2.835 1.00 0.00 H new ATOM 326 N LEU A 23 6.025 6.989 -1.145 1.00 0.00 N ATOM 327 CA LEU A 23 5.089 8.050 -0.812 1.00 0.00 C ATOM 328 C LEU A 23 5.341 9.251 -1.726 1.00 0.00 C ATOM 329 O LEU A 23 5.893 10.261 -1.291 1.00 0.00 O ATOM 330 CB LEU A 23 5.166 8.384 0.679 1.00 0.00 C ATOM 331 CG LEU A 23 4.466 7.404 1.623 1.00 0.00 C ATOM 332 CD1 LEU A 23 5.120 7.414 3.006 1.00 0.00 C ATOM 333 CD2 LEU A 23 2.965 7.689 1.696 1.00 0.00 C ATOM 0 H LEU A 23 6.913 7.032 -0.645 1.00 0.00 H new ATOM 0 HA LEU A 23 4.064 7.724 -0.989 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.216 8.444 0.964 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.737 9.374 0.832 1.00 0.00 H new ATOM 0 HG LEU A 23 4.582 6.398 1.219 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.604 6.709 3.658 1.00 0.00 H new ATOM 0 HD12 LEU A 23 6.167 7.125 2.915 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.056 8.415 3.432 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.492 6.978 2.374 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.805 8.703 2.064 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.527 7.590 0.703 1.00 0.00 H new ATOM 345 N VAL A 24 4.924 9.102 -2.974 1.00 0.00 N ATOM 346 CA VAL A 24 5.097 10.162 -3.953 1.00 0.00 C ATOM 347 C VAL A 24 4.576 11.478 -3.370 1.00 0.00 C ATOM 348 O VAL A 24 3.467 11.530 -2.841 1.00 0.00 O ATOM 349 CB VAL A 24 4.415 9.778 -5.267 1.00 0.00 C ATOM 350 CG1 VAL A 24 4.800 10.746 -6.388 1.00 0.00 C ATOM 351 CG2 VAL A 24 4.741 8.334 -5.653 1.00 0.00 C ATOM 0 H VAL A 24 4.466 8.263 -3.330 1.00 0.00 H new ATOM 0 HA VAL A 24 6.154 10.303 -4.181 1.00 0.00 H new ATOM 0 HB VAL A 24 3.338 9.849 -5.118 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.302 10.450 -7.311 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.493 11.756 -6.118 1.00 0.00 H new ATOM 0 HG13 VAL A 24 5.880 10.722 -6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.244 8.087 -6.591 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.819 8.224 -5.774 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.393 7.661 -4.870 1.00 0.00 H new ATOM 426 N VAL A 29 10.557 6.352 1.525 1.00 0.00 N ATOM 427 CA VAL A 29 10.200 4.956 1.341 1.00 0.00 C ATOM 428 C VAL A 29 9.704 4.381 2.669 1.00 0.00 C ATOM 429 O VAL A 29 10.264 4.675 3.724 1.00 0.00 O ATOM 430 CB VAL A 29 11.386 4.184 0.761 1.00 0.00 C ATOM 431 CG1 VAL A 29 11.063 2.694 0.636 1.00 0.00 C ATOM 432 CG2 VAL A 29 11.814 4.768 -0.587 1.00 0.00 C ATOM 0 HA VAL A 29 9.386 4.862 0.622 1.00 0.00 H new ATOM 0 HB VAL A 29 12.223 4.288 1.452 1.00 0.00 H new ATOM 0 HG11 VAL A 29 11.923 2.169 0.221 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.830 2.288 1.621 1.00 0.00 H new ATOM 0 HG13 VAL A 29 10.205 2.562 -0.023 1.00 0.00 H new ATOM 0 HG21 VAL A 29 12.659 4.201 -0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 29 10.982 4.710 -1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 29 12.106 5.810 -0.456 1.00 0.00 H new ATOM 442 N VAL A 30 8.659 3.572 2.575 1.00 0.00 N ATOM 443 CA VAL A 30 8.082 2.954 3.756 1.00 0.00 C ATOM 444 C VAL A 30 8.053 1.435 3.569 1.00 0.00 C ATOM 445 O VAL A 30 8.270 0.938 2.465 1.00 0.00 O ATOM 446 CB VAL A 30 6.701 3.548 4.036 1.00 0.00 C ATOM 447 CG1 VAL A 30 6.805 4.772 4.948 1.00 0.00 C ATOM 448 CG2 VAL A 30 5.979 3.895 2.733 1.00 0.00 C ATOM 0 H VAL A 30 8.197 3.330 1.698 1.00 0.00 H new ATOM 0 HA VAL A 30 8.694 3.162 4.633 1.00 0.00 H new ATOM 0 HB VAL A 30 6.111 2.793 4.555 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.809 5.175 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.259 4.482 5.896 1.00 0.00 H new ATOM 0 HG13 VAL A 30 7.421 5.532 4.468 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.999 4.316 2.961 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.566 4.624 2.175 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.856 2.993 2.134 1.00 0.00 H new ATOM 458 N ARG A 31 7.784 0.741 4.665 1.00 0.00 N ATOM 459 CA ARG A 31 7.724 -0.710 4.635 1.00 0.00 C ATOM 460 C ARG A 31 6.398 -1.199 5.224 1.00 0.00 C ATOM 461 O ARG A 31 5.901 -0.633 6.196 1.00 0.00 O ATOM 462 CB ARG A 31 8.881 -1.326 5.424 1.00 0.00 C ATOM 463 CG ARG A 31 8.927 -2.843 5.236 1.00 0.00 C ATOM 464 CD ARG A 31 9.796 -3.503 6.309 1.00 0.00 C ATOM 465 NE ARG A 31 10.690 -4.507 5.690 1.00 0.00 N ATOM 466 CZ ARG A 31 11.869 -4.215 5.123 1.00 0.00 C ATOM 467 NH1 ARG A 31 12.302 -2.947 5.092 1.00 0.00 N ATOM 468 NH2 ARG A 31 12.613 -5.190 4.585 1.00 0.00 N ATOM 0 H ARG A 31 7.605 1.157 5.579 1.00 0.00 H new ATOM 0 HA ARG A 31 7.801 -1.023 3.594 1.00 0.00 H new ATOM 0 HB2 ARG A 31 9.823 -0.887 5.097 1.00 0.00 H new ATOM 0 HB3 ARG A 31 8.770 -1.090 6.482 1.00 0.00 H new ATOM 0 HG2 ARG A 31 7.917 -3.249 5.281 1.00 0.00 H new ATOM 0 HG3 ARG A 31 9.322 -3.079 4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 31 10.387 -2.747 6.825 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.164 -3.980 7.058 1.00 0.00 H new ATOM 0 HE ARG A 31 10.390 -5.482 5.695 1.00 0.00 H new ATOM 0 HH11 ARG A 31 11.734 -2.204 5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 31 13.199 -2.725 4.661 1.00 0.00 H new ATOM 0 HH21 ARG A 31 12.282 -6.155 4.607 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.510 -4.968 4.154 1.00 0.00 H new ATOM 482 N ILE A 32 5.864 -2.244 4.609 1.00 0.00 N ATOM 483 CA ILE A 32 4.606 -2.815 5.059 1.00 0.00 C ATOM 484 C ILE A 32 4.775 -4.323 5.251 1.00 0.00 C ATOM 485 O ILE A 32 5.300 -5.009 4.375 1.00 0.00 O ATOM 486 CB ILE A 32 3.474 -2.440 4.101 1.00 0.00 C ATOM 487 CG1 ILE A 32 3.452 -0.932 3.841 1.00 0.00 C ATOM 488 CG2 ILE A 32 2.128 -2.953 4.615 1.00 0.00 C ATOM 489 CD1 ILE A 32 2.141 -0.509 3.176 1.00 0.00 C ATOM 0 H ILE A 32 6.280 -2.710 3.803 1.00 0.00 H new ATOM 0 HA ILE A 32 4.324 -2.400 6.027 1.00 0.00 H new ATOM 0 HB ILE A 32 3.660 -2.929 3.145 1.00 0.00 H new ATOM 0 HG12 ILE A 32 3.576 -0.395 4.782 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.292 -0.657 3.204 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.341 -2.673 3.915 1.00 0.00 H new ATOM 0 HG22 ILE A 32 2.163 -4.039 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.920 -2.514 5.591 1.00 0.00 H new ATOM 0 HD11 ILE A 32 2.152 0.567 3.002 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.031 -1.029 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.304 -0.763 3.827 1.00 0.00 H new ATOM 501 N SER A 33 4.321 -4.796 6.402 1.00 0.00 N ATOM 502 CA SER A 33 4.415 -6.210 6.720 1.00 0.00 C ATOM 503 C SER A 33 3.017 -6.793 6.934 1.00 0.00 C ATOM 504 O SER A 33 2.175 -6.174 7.584 1.00 0.00 O ATOM 505 CB SER A 33 5.281 -6.440 7.960 1.00 0.00 C ATOM 506 OG SER A 33 4.735 -5.812 9.117 1.00 0.00 O ATOM 0 H SER A 33 3.887 -4.224 7.126 1.00 0.00 H new ATOM 0 HA SER A 33 4.889 -6.718 5.880 1.00 0.00 H new ATOM 0 HB2 SER A 33 5.378 -7.511 8.141 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.284 -6.055 7.778 1.00 0.00 H new ATOM 0 HG SER A 33 5.316 -5.984 9.887 1.00 0.00 H new ATOM 512 N ALA A 34 2.812 -7.977 6.376 1.00 0.00 N ATOM 513 CA ALA A 34 1.530 -8.650 6.498 1.00 0.00 C ATOM 514 C ALA A 34 1.599 -10.002 5.785 1.00 0.00 C ATOM 515 O ALA A 34 2.449 -10.210 4.921 1.00 0.00 O ATOM 516 CB ALA A 34 0.426 -7.751 5.937 1.00 0.00 C ATOM 0 H ALA A 34 3.512 -8.488 5.838 1.00 0.00 H new ATOM 0 HA ALA A 34 1.295 -8.841 7.545 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.536 -8.256 6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 34 0.399 -6.816 6.496 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.627 -7.541 4.887 1.00 0.00 H new ATOM 522 N LYS A 35 0.693 -10.887 6.174 1.00 0.00 N ATOM 523 CA LYS A 35 0.640 -12.214 5.583 1.00 0.00 C ATOM 524 C LYS A 35 0.538 -12.086 4.062 1.00 0.00 C ATOM 525 O LYS A 35 0.020 -11.094 3.552 1.00 0.00 O ATOM 526 CB LYS A 35 -0.490 -13.034 6.209 1.00 0.00 C ATOM 527 CG LYS A 35 -1.752 -12.187 6.381 1.00 0.00 C ATOM 528 CD LYS A 35 -2.002 -11.870 7.857 1.00 0.00 C ATOM 529 CE LYS A 35 -2.215 -10.369 8.067 1.00 0.00 C ATOM 530 NZ LYS A 35 -1.769 -9.966 9.419 1.00 0.00 N ATOM 0 H LYS A 35 -0.011 -10.711 6.891 1.00 0.00 H new ATOM 0 HA LYS A 35 1.557 -12.763 5.796 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -0.710 -13.897 5.580 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.171 -13.419 7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.651 -11.259 5.818 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.610 -12.718 5.969 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.877 -12.418 8.207 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.155 -12.208 8.454 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -1.662 -9.808 7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -3.269 -10.124 7.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -1.921 -8.945 9.545 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.315 -10.488 10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.758 -10.182 9.530 1.00 0.00 H new ATOM 544 N PRO A 36 1.056 -13.131 3.362 1.00 0.00 N ATOM 545 CA PRO A 36 1.028 -13.145 1.909 1.00 0.00 C ATOM 546 C PRO A 36 -0.379 -13.449 1.390 1.00 0.00 C ATOM 547 O PRO A 36 -0.958 -12.653 0.652 1.00 0.00 O ATOM 548 CB PRO A 36 2.049 -14.196 1.507 1.00 0.00 C ATOM 549 CG PRO A 36 2.272 -15.055 2.741 1.00 0.00 C ATOM 550 CD PRO A 36 1.678 -14.322 3.932 1.00 0.00 C ATOM 0 HA PRO A 36 1.279 -12.178 1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 36 1.684 -14.797 0.674 1.00 0.00 H new ATOM 0 HB3 PRO A 36 2.980 -13.732 1.181 1.00 0.00 H new ATOM 0 HG2 PRO A 36 1.800 -16.030 2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 36 3.336 -15.234 2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 36 0.946 -14.940 4.453 1.00 0.00 H new ATOM 0 HD3 PRO A 36 2.447 -14.058 4.658 1.00 0.00 H new ATOM 558 N THR A 37 -0.889 -14.602 1.797 1.00 0.00 N ATOM 559 CA THR A 37 -2.217 -15.021 1.382 1.00 0.00 C ATOM 560 C THR A 37 -3.163 -13.819 1.331 1.00 0.00 C ATOM 561 O THR A 37 -3.803 -13.572 0.310 1.00 0.00 O ATOM 562 CB THR A 37 -2.685 -16.122 2.336 1.00 0.00 C ATOM 563 OG1 THR A 37 -2.387 -15.609 3.632 1.00 0.00 O ATOM 564 CG2 THR A 37 -1.832 -17.388 2.232 1.00 0.00 C ATOM 0 H THR A 37 -0.406 -15.259 2.410 1.00 0.00 H new ATOM 0 HA THR A 37 -2.205 -15.430 0.372 1.00 0.00 H new ATOM 0 HB THR A 37 -3.726 -16.367 2.125 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.660 -16.260 4.312 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.206 -18.137 2.930 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.884 -17.780 1.216 1.00 0.00 H new ATOM 0 HG23 THR A 37 -0.797 -17.150 2.476 1.00 0.00 H new ATOM 572 N LYS A 38 -3.222 -13.105 2.445 1.00 0.00 N ATOM 573 CA LYS A 38 -4.079 -11.935 2.540 1.00 0.00 C ATOM 574 C LYS A 38 -3.962 -11.117 1.252 1.00 0.00 C ATOM 575 O LYS A 38 -3.027 -11.305 0.476 1.00 0.00 O ATOM 576 CB LYS A 38 -3.759 -11.138 3.806 1.00 0.00 C ATOM 577 CG LYS A 38 -4.984 -11.043 4.718 1.00 0.00 C ATOM 578 CD LYS A 38 -5.037 -9.688 5.426 1.00 0.00 C ATOM 579 CE LYS A 38 -5.781 -9.794 6.758 1.00 0.00 C ATOM 580 NZ LYS A 38 -5.901 -8.462 7.393 1.00 0.00 N ATOM 0 H LYS A 38 -2.690 -13.314 3.290 1.00 0.00 H new ATOM 0 HA LYS A 38 -5.123 -12.234 2.635 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -2.938 -11.614 4.342 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.424 -10.137 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.891 -11.186 4.131 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.954 -11.843 5.458 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -4.024 -9.324 5.599 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.533 -8.958 4.786 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -6.773 -10.216 6.595 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.251 -10.474 7.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.865 -8.339 7.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.219 -8.387 8.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.703 -7.723 6.689 1.00 0.00 H new ATOM 594 N ARG A 39 -4.926 -10.228 1.064 1.00 0.00 N ATOM 595 CA ARG A 39 -4.943 -9.381 -0.116 1.00 0.00 C ATOM 596 C ARG A 39 -4.155 -8.095 0.142 1.00 0.00 C ATOM 597 O ARG A 39 -3.558 -7.932 1.205 1.00 0.00 O ATOM 598 CB ARG A 39 -6.376 -9.021 -0.515 1.00 0.00 C ATOM 599 CG ARG A 39 -7.165 -10.270 -0.911 1.00 0.00 C ATOM 600 CD ARG A 39 -8.575 -9.903 -1.379 1.00 0.00 C ATOM 601 NE ARG A 39 -9.574 -10.747 -0.688 1.00 0.00 N ATOM 602 CZ ARG A 39 -9.824 -12.025 -1.003 1.00 0.00 C ATOM 603 NH1 ARG A 39 -9.150 -12.614 -2.000 1.00 0.00 N ATOM 604 NH2 ARG A 39 -10.749 -12.715 -0.321 1.00 0.00 N ATOM 0 H ARG A 39 -5.701 -10.076 1.709 1.00 0.00 H new ATOM 0 HA ARG A 39 -4.480 -9.938 -0.930 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -6.874 -8.520 0.316 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -6.360 -8.318 -1.348 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -6.640 -10.799 -1.707 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.226 -10.951 -0.062 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.772 -8.851 -1.175 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -8.656 -10.039 -2.457 1.00 0.00 H new ATOM 0 HE ARG A 39 -10.106 -10.330 0.076 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -8.446 -12.089 -2.520 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -9.341 -13.587 -2.239 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.263 -12.267 0.438 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -10.939 -13.688 -0.561 1.00 0.00 H new ATOM 618 N LEU A 40 -4.178 -7.216 -0.849 1.00 0.00 N ATOM 619 CA LEU A 40 -3.473 -5.950 -0.743 1.00 0.00 C ATOM 620 C LEU A 40 -4.348 -4.945 0.009 1.00 0.00 C ATOM 621 O LEU A 40 -3.836 -4.024 0.644 1.00 0.00 O ATOM 622 CB LEU A 40 -3.030 -5.466 -2.125 1.00 0.00 C ATOM 623 CG LEU A 40 -1.521 -5.452 -2.379 1.00 0.00 C ATOM 624 CD1 LEU A 40 -1.217 -5.292 -3.870 1.00 0.00 C ATOM 625 CD2 LEU A 40 -0.833 -4.378 -1.535 1.00 0.00 C ATOM 0 H LEU A 40 -4.674 -7.356 -1.729 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.557 -6.072 -0.165 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.499 -6.100 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.413 -4.457 -2.275 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.114 -6.414 -2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -0.138 -5.285 -4.023 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.656 -6.123 -4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -1.640 -4.354 -4.229 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.239 -4.389 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.239 -3.399 -1.790 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.007 -4.579 -0.478 1.00 0.00 H new ATOM 637 N GLN A 41 -5.653 -5.156 -0.087 1.00 0.00 N ATOM 638 CA GLN A 41 -6.604 -4.280 0.576 1.00 0.00 C ATOM 639 C GLN A 41 -6.799 -4.713 2.030 1.00 0.00 C ATOM 640 O GLN A 41 -6.963 -3.874 2.915 1.00 0.00 O ATOM 641 CB GLN A 41 -7.938 -4.253 -0.172 1.00 0.00 C ATOM 642 CG GLN A 41 -8.774 -5.492 0.153 1.00 0.00 C ATOM 643 CD GLN A 41 -9.901 -5.676 -0.866 1.00 0.00 C ATOM 644 OE1 GLN A 41 -9.731 -5.486 -2.059 1.00 0.00 O ATOM 645 NE2 GLN A 41 -11.057 -6.056 -0.330 1.00 0.00 N ATOM 0 H GLN A 41 -6.074 -5.921 -0.614 1.00 0.00 H new ATOM 0 HA GLN A 41 -6.201 -3.267 0.570 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -8.493 -3.355 0.099 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.756 -4.204 -1.246 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -8.135 -6.375 0.157 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -9.196 -5.398 1.154 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.130 -6.197 0.678 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.871 -6.206 -0.926 1.00 0.00 H new ATOM 654 N GLU A 42 -6.774 -6.022 2.233 1.00 0.00 N ATOM 655 CA GLU A 42 -6.947 -6.576 3.565 1.00 0.00 C ATOM 656 C GLU A 42 -5.676 -6.374 4.393 1.00 0.00 C ATOM 657 O GLU A 42 -5.735 -6.297 5.619 1.00 0.00 O ATOM 658 CB GLU A 42 -7.328 -8.056 3.498 1.00 0.00 C ATOM 659 CG GLU A 42 -8.589 -8.260 2.655 1.00 0.00 C ATOM 660 CD GLU A 42 -9.843 -8.249 3.532 1.00 0.00 C ATOM 661 OE1 GLU A 42 -10.086 -9.285 4.187 1.00 0.00 O ATOM 662 OE2 GLU A 42 -10.529 -7.205 3.527 1.00 0.00 O ATOM 0 H GLU A 42 -6.637 -6.715 1.497 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.764 -6.046 4.054 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.504 -8.628 3.071 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.494 -8.439 4.505 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.660 -7.474 1.904 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.524 -9.207 2.120 1.00 0.00 H new ATOM 669 N ALA A 43 -4.556 -6.295 3.688 1.00 0.00 N ATOM 670 CA ALA A 43 -3.273 -6.104 4.343 1.00 0.00 C ATOM 671 C ALA A 43 -3.045 -4.611 4.584 1.00 0.00 C ATOM 672 O ALA A 43 -2.298 -4.230 5.484 1.00 0.00 O ATOM 673 CB ALA A 43 -2.167 -6.732 3.491 1.00 0.00 C ATOM 0 H ALA A 43 -4.511 -6.360 2.671 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.260 -6.600 5.313 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -1.204 -6.589 3.982 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -2.360 -7.798 3.373 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.149 -6.256 2.510 1.00 0.00 H new ATOM 679 N LEU A 44 -3.703 -3.805 3.764 1.00 0.00 N ATOM 680 CA LEU A 44 -3.582 -2.361 3.877 1.00 0.00 C ATOM 681 C LEU A 44 -4.701 -1.828 4.774 1.00 0.00 C ATOM 682 O LEU A 44 -4.663 -0.677 5.203 1.00 0.00 O ATOM 683 CB LEU A 44 -3.547 -1.716 2.490 1.00 0.00 C ATOM 684 CG LEU A 44 -2.282 -1.967 1.665 1.00 0.00 C ATOM 685 CD1 LEU A 44 -1.388 -0.726 1.642 1.00 0.00 C ATOM 686 CD2 LEU A 44 -1.535 -3.203 2.171 1.00 0.00 C ATOM 0 H LEU A 44 -4.322 -4.124 3.019 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.638 -2.094 4.352 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -4.405 -2.076 1.922 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.672 -0.640 2.608 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.579 -2.169 0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.496 -0.931 1.049 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -1.934 0.108 1.200 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.096 -0.469 2.660 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.640 -3.360 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.250 -3.055 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -2.182 -4.077 2.093 1.00 0.00 H new ATOM 698 N GLN A 45 -5.673 -2.693 5.031 1.00 0.00 N ATOM 699 CA GLN A 45 -6.800 -2.324 5.869 1.00 0.00 C ATOM 700 C GLN A 45 -6.311 -1.847 7.238 1.00 0.00 C ATOM 701 O GLN A 45 -6.709 -0.782 7.707 1.00 0.00 O ATOM 702 CB GLN A 45 -7.781 -3.489 6.013 1.00 0.00 C ATOM 703 CG GLN A 45 -9.096 -3.192 5.288 1.00 0.00 C ATOM 704 CD GLN A 45 -10.223 -2.922 6.287 1.00 0.00 C ATOM 705 OE1 GLN A 45 -10.555 -3.744 7.125 1.00 0.00 O ATOM 706 NE2 GLN A 45 -10.791 -1.727 6.151 1.00 0.00 N ATOM 0 H GLN A 45 -5.702 -3.648 4.673 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.331 -1.502 5.388 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.335 -4.397 5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -7.978 -3.675 7.069 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.969 -2.328 4.635 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.363 -4.036 4.652 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.464 -1.086 5.428 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -11.553 -1.451 6.770 1.00 0.00 H new ATOM 715 N PRO A 46 -5.432 -2.680 7.856 1.00 0.00 N ATOM 716 CA PRO A 46 -4.883 -2.355 9.162 1.00 0.00 C ATOM 717 C PRO A 46 -3.821 -1.259 9.053 1.00 0.00 C ATOM 718 O PRO A 46 -3.284 -0.807 10.063 1.00 0.00 O ATOM 719 CB PRO A 46 -4.331 -3.666 9.695 1.00 0.00 C ATOM 720 CG PRO A 46 -4.172 -4.574 8.485 1.00 0.00 C ATOM 721 CD PRO A 46 -4.938 -3.950 7.330 1.00 0.00 C ATOM 0 HA PRO A 46 -5.631 -1.948 9.843 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -3.375 -3.512 10.196 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -5.008 -4.106 10.427 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.119 -4.686 8.228 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -4.555 -5.571 8.703 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.294 -3.796 6.464 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -5.758 -4.591 7.007 1.00 0.00 H new ATOM 729 N ILE A 47 -3.550 -0.863 7.818 1.00 0.00 N ATOM 730 CA ILE A 47 -2.562 0.172 7.564 1.00 0.00 C ATOM 731 C ILE A 47 -3.275 1.501 7.307 1.00 0.00 C ATOM 732 O ILE A 47 -2.882 2.535 7.845 1.00 0.00 O ATOM 733 CB ILE A 47 -1.623 -0.251 6.432 1.00 0.00 C ATOM 734 CG1 ILE A 47 -0.699 -1.384 6.880 1.00 0.00 C ATOM 735 CG2 ILE A 47 -0.840 0.948 5.892 1.00 0.00 C ATOM 736 CD1 ILE A 47 0.044 -1.010 8.164 1.00 0.00 C ATOM 0 H ILE A 47 -3.997 -1.240 6.982 1.00 0.00 H new ATOM 0 HA ILE A 47 -1.927 0.315 8.438 1.00 0.00 H new ATOM 0 HB ILE A 47 -2.229 -0.636 5.612 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -1.282 -2.290 7.044 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.020 -1.606 6.091 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.180 0.620 5.089 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.536 1.694 5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.245 1.385 6.694 1.00 0.00 H new ATOM 0 HD11 ILE A 47 0.694 -1.833 8.461 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.645 -0.117 7.990 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -0.677 -0.813 8.957 1.00 0.00 H new ATOM 748 N LEU A 48 -4.313 1.430 6.486 1.00 0.00 N ATOM 749 CA LEU A 48 -5.085 2.615 6.152 1.00 0.00 C ATOM 750 C LEU A 48 -5.875 3.067 7.381 1.00 0.00 C ATOM 751 O LEU A 48 -6.070 4.263 7.593 1.00 0.00 O ATOM 752 CB LEU A 48 -5.956 2.357 4.921 1.00 0.00 C ATOM 753 CG LEU A 48 -5.233 1.809 3.689 1.00 0.00 C ATOM 754 CD1 LEU A 48 -6.169 0.945 2.842 1.00 0.00 C ATOM 755 CD2 LEU A 48 -4.602 2.940 2.875 1.00 0.00 C ATOM 0 H LEU A 48 -4.637 0.571 6.042 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.423 3.437 5.879 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.742 1.655 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -6.445 3.291 4.645 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.421 1.165 4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.630 0.568 1.973 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.528 0.106 3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.017 1.544 2.511 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.095 2.523 2.005 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -5.380 3.629 2.546 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.881 3.475 3.493 1.00 0.00 H new ATOM 767 N ALA A 49 -6.308 2.087 8.160 1.00 0.00 N ATOM 768 CA ALA A 49 -7.073 2.369 9.363 1.00 0.00 C ATOM 769 C ALA A 49 -6.167 3.051 10.390 1.00 0.00 C ATOM 770 O ALA A 49 -6.607 3.939 11.118 1.00 0.00 O ATOM 771 CB ALA A 49 -7.684 1.071 9.895 1.00 0.00 C ATOM 0 H ALA A 49 -6.144 1.096 7.982 1.00 0.00 H new ATOM 0 HA ALA A 49 -7.895 3.051 9.145 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.258 1.282 10.797 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.341 0.642 9.139 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.889 0.363 10.128 1.00 0.00 H new ATOM 777 N LYS A 50 -4.918 2.609 10.415 1.00 0.00 N ATOM 778 CA LYS A 50 -3.946 3.166 11.341 1.00 0.00 C ATOM 779 C LYS A 50 -3.295 4.398 10.710 1.00 0.00 C ATOM 780 O LYS A 50 -2.451 5.044 11.329 1.00 0.00 O ATOM 781 CB LYS A 50 -2.943 2.094 11.774 1.00 0.00 C ATOM 782 CG LYS A 50 -2.459 2.342 13.204 1.00 0.00 C ATOM 783 CD LYS A 50 -0.991 1.941 13.363 1.00 0.00 C ATOM 784 CE LYS A 50 -0.454 2.360 14.733 1.00 0.00 C ATOM 785 NZ LYS A 50 0.748 3.210 14.580 1.00 0.00 N ATOM 0 H LYS A 50 -4.557 1.872 9.809 1.00 0.00 H new ATOM 0 HA LYS A 50 -4.438 3.498 12.256 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.406 1.110 11.709 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.092 2.091 11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.581 3.395 13.456 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.073 1.774 13.903 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.890 0.862 13.243 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.396 2.406 12.577 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -1.224 2.903 15.281 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -0.209 1.475 15.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.100 3.486 15.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.487 2.679 14.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 0.503 4.063 14.038 1.00 0.00 H new ATOM 799 N HIS A 51 -3.713 4.688 9.487 1.00 0.00 N ATOM 800 CA HIS A 51 -3.181 5.831 8.765 1.00 0.00 C ATOM 801 C HIS A 51 -4.320 6.789 8.410 1.00 0.00 C ATOM 802 O HIS A 51 -4.110 7.777 7.709 1.00 0.00 O ATOM 803 CB HIS A 51 -2.384 5.379 7.540 1.00 0.00 C ATOM 804 CG HIS A 51 -0.998 4.872 7.862 1.00 0.00 C ATOM 805 ND1 HIS A 51 -0.611 3.561 7.649 1.00 0.00 N ATOM 806 CD2 HIS A 51 0.086 5.515 8.382 1.00 0.00 C ATOM 807 CE1 HIS A 51 0.652 3.431 8.028 1.00 0.00 C ATOM 808 NE2 HIS A 51 1.082 4.643 8.483 1.00 0.00 N ATOM 0 H HIS A 51 -4.415 4.151 8.977 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.481 6.373 9.401 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.938 4.592 7.029 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.302 6.214 6.844 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -1.198 2.820 7.265 1.00 0.00 H new ATOM 0 HD2 HIS A 51 0.127 6.557 8.664 1.00 0.00 H new ATOM 0 HE1 HIS A 51 1.238 2.525 7.984 1.00 0.00 H new ATOM 816 N GLY A 52 -5.503 6.463 8.911 1.00 0.00 N ATOM 817 CA GLY A 52 -6.676 7.282 8.656 1.00 0.00 C ATOM 818 C GLY A 52 -6.958 7.382 7.156 1.00 0.00 C ATOM 819 O GLY A 52 -7.667 8.285 6.713 1.00 0.00 O ATOM 0 H GLY A 52 -5.674 5.643 9.492 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -7.540 6.855 9.165 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.524 8.279 9.069 1.00 0.00 H new ATOM 823 N LEU A 53 -6.390 6.442 6.415 1.00 0.00 N ATOM 824 CA LEU A 53 -6.572 6.413 4.974 1.00 0.00 C ATOM 825 C LEU A 53 -7.777 5.533 4.634 1.00 0.00 C ATOM 826 O LEU A 53 -8.572 5.198 5.510 1.00 0.00 O ATOM 827 CB LEU A 53 -5.279 5.980 4.279 1.00 0.00 C ATOM 828 CG LEU A 53 -4.032 6.802 4.611 1.00 0.00 C ATOM 829 CD1 LEU A 53 -2.764 6.086 4.143 1.00 0.00 C ATOM 830 CD2 LEU A 53 -4.138 8.216 4.037 1.00 0.00 C ATOM 0 H LEU A 53 -5.803 5.695 6.786 1.00 0.00 H new ATOM 0 HA LEU A 53 -6.790 7.412 4.598 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.083 4.939 4.536 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -5.439 6.018 3.201 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.965 6.900 5.695 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.892 6.691 4.391 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.688 5.119 4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.807 5.937 3.064 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.239 8.779 4.288 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.242 8.162 2.953 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.009 8.716 4.461 1.00 0.00 H new ATOM 842 N SER A 54 -7.874 5.185 3.359 1.00 0.00 N ATOM 843 CA SER A 54 -8.968 4.350 2.893 1.00 0.00 C ATOM 844 C SER A 54 -8.567 3.635 1.601 1.00 0.00 C ATOM 845 O SER A 54 -7.602 4.024 0.946 1.00 0.00 O ATOM 846 CB SER A 54 -10.235 5.178 2.669 1.00 0.00 C ATOM 847 OG SER A 54 -10.880 5.510 3.896 1.00 0.00 O ATOM 0 H SER A 54 -7.213 5.466 2.635 1.00 0.00 H new ATOM 0 HA SER A 54 -9.182 3.607 3.661 1.00 0.00 H new ATOM 0 HB2 SER A 54 -9.980 6.093 2.134 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.925 4.620 2.036 1.00 0.00 H new ATOM 0 HG SER A 54 -10.275 5.324 4.644 1.00 0.00 H new ATOM 853 N LEU A 55 -9.328 2.600 1.275 1.00 0.00 N ATOM 854 CA LEU A 55 -9.064 1.827 0.074 1.00 0.00 C ATOM 855 C LEU A 55 -9.643 2.560 -1.138 1.00 0.00 C ATOM 856 O LEU A 55 -9.227 2.320 -2.270 1.00 0.00 O ATOM 857 CB LEU A 55 -9.583 0.396 0.232 1.00 0.00 C ATOM 858 CG LEU A 55 -8.922 -0.439 1.331 1.00 0.00 C ATOM 859 CD1 LEU A 55 -9.881 -1.508 1.859 1.00 0.00 C ATOM 860 CD2 LEU A 55 -7.604 -1.043 0.842 1.00 0.00 C ATOM 0 H LEU A 55 -10.127 2.279 1.822 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.990 1.736 -0.091 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.654 0.439 0.430 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.455 -0.123 -0.718 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.684 0.221 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -9.387 -2.087 2.639 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -10.769 -1.029 2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.172 -2.171 1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -7.155 -1.632 1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -7.795 -1.685 -0.018 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.922 -0.243 0.553 1.00 0.00 H new ATOM 872 N ASP A 56 -10.593 3.440 -0.858 1.00 0.00 N ATOM 873 CA ASP A 56 -11.234 4.210 -1.911 1.00 0.00 C ATOM 874 C ASP A 56 -10.735 5.655 -1.855 1.00 0.00 C ATOM 875 O ASP A 56 -11.475 6.584 -2.177 1.00 0.00 O ATOM 876 CB ASP A 56 -12.753 4.226 -1.735 1.00 0.00 C ATOM 877 CG ASP A 56 -13.556 4.086 -3.030 1.00 0.00 C ATOM 878 OD1 ASP A 56 -13.696 5.115 -3.725 1.00 0.00 O ATOM 879 OD2 ASP A 56 -14.012 2.952 -3.294 1.00 0.00 O ATOM 0 H ASP A 56 -10.934 3.637 0.083 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.988 3.746 -2.866 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -13.034 3.416 -1.062 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -13.037 5.159 -1.248 1.00 0.00 H new ATOM 884 N GLN A 57 -9.484 5.801 -1.443 1.00 0.00 N ATOM 885 CA GLN A 57 -8.878 7.117 -1.341 1.00 0.00 C ATOM 886 C GLN A 57 -7.475 7.104 -1.949 1.00 0.00 C ATOM 887 O GLN A 57 -7.118 7.999 -2.714 1.00 0.00 O ATOM 888 CB GLN A 57 -8.842 7.592 0.113 1.00 0.00 C ATOM 889 CG GLN A 57 -10.231 8.030 0.582 1.00 0.00 C ATOM 890 CD GLN A 57 -10.689 9.287 -0.161 1.00 0.00 C ATOM 891 OE1 GLN A 57 -11.047 9.255 -1.326 1.00 0.00 O ATOM 892 NE2 GLN A 57 -10.658 10.393 0.577 1.00 0.00 N ATOM 0 H GLN A 57 -8.874 5.029 -1.176 1.00 0.00 H new ATOM 0 HA GLN A 57 -9.489 7.822 -1.904 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -8.475 6.789 0.752 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -8.143 8.422 0.211 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -10.946 7.224 0.416 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -10.212 8.224 1.655 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -10.347 10.350 1.548 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -10.945 11.284 0.172 1.00 0.00 H new ATOM 901 N VAL A 58 -6.716 6.081 -1.585 1.00 0.00 N ATOM 902 CA VAL A 58 -5.359 5.940 -2.085 1.00 0.00 C ATOM 903 C VAL A 58 -5.373 5.073 -3.346 1.00 0.00 C ATOM 904 O VAL A 58 -6.333 4.346 -3.594 1.00 0.00 O ATOM 905 CB VAL A 58 -4.452 5.383 -0.987 1.00 0.00 C ATOM 906 CG1 VAL A 58 -4.723 6.074 0.351 1.00 0.00 C ATOM 907 CG2 VAL A 58 -4.609 3.866 -0.862 1.00 0.00 C ATOM 0 H VAL A 58 -7.015 5.341 -0.949 1.00 0.00 H new ATOM 0 HA VAL A 58 -4.951 6.912 -2.363 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.420 5.591 -1.269 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.065 5.659 1.115 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -4.536 7.143 0.253 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.761 5.912 0.640 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.953 3.496 -0.074 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.643 3.626 -0.615 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.343 3.394 -1.808 1.00 0.00 H new ATOM 917 N VAL A 59 -4.295 5.179 -4.110 1.00 0.00 N ATOM 918 CA VAL A 59 -4.171 4.414 -5.339 1.00 0.00 C ATOM 919 C VAL A 59 -2.796 3.744 -5.381 1.00 0.00 C ATOM 920 O VAL A 59 -1.774 4.421 -5.472 1.00 0.00 O ATOM 921 CB VAL A 59 -4.433 5.317 -6.546 1.00 0.00 C ATOM 922 CG1 VAL A 59 -3.978 4.644 -7.843 1.00 0.00 C ATOM 923 CG2 VAL A 59 -5.908 5.716 -6.623 1.00 0.00 C ATOM 0 H VAL A 59 -3.500 5.783 -3.901 1.00 0.00 H new ATOM 0 HA VAL A 59 -4.920 3.622 -5.373 1.00 0.00 H new ATOM 0 HB VAL A 59 -3.847 6.227 -6.417 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -4.175 5.307 -8.686 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -2.910 4.434 -7.789 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -4.524 3.711 -7.980 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.067 6.358 -7.490 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.523 4.821 -6.717 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -6.187 6.254 -5.717 1.00 0.00 H new ATOM 933 N LEU A 60 -2.816 2.421 -5.312 1.00 0.00 N ATOM 934 CA LEU A 60 -1.584 1.651 -5.341 1.00 0.00 C ATOM 935 C LEU A 60 -1.218 1.337 -6.793 1.00 0.00 C ATOM 936 O LEU A 60 -2.088 1.011 -7.599 1.00 0.00 O ATOM 937 CB LEU A 60 -1.707 0.410 -4.455 1.00 0.00 C ATOM 938 CG LEU A 60 -0.391 -0.250 -4.039 1.00 0.00 C ATOM 939 CD1 LEU A 60 0.368 -0.778 -5.258 1.00 0.00 C ATOM 940 CD2 LEU A 60 0.462 0.707 -3.204 1.00 0.00 C ATOM 0 H LEU A 60 -3.666 1.863 -5.236 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.762 2.232 -4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.254 0.685 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.311 -0.329 -4.981 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.624 -1.108 -3.409 1.00 0.00 H new ATOM 0 HD11 LEU A 60 1.299 -1.242 -4.934 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.244 -1.516 -5.776 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.590 0.048 -5.934 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.392 0.213 -2.921 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.688 1.598 -3.790 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.085 0.992 -2.305 1.00 0.00 H new ATOM 952 N HIS A 61 0.071 1.446 -7.081 1.00 0.00 N ATOM 953 CA HIS A 61 0.562 1.177 -8.422 1.00 0.00 C ATOM 954 C HIS A 61 2.092 1.207 -8.423 1.00 0.00 C ATOM 955 O HIS A 61 2.699 2.161 -7.939 1.00 0.00 O ATOM 956 CB HIS A 61 -0.050 2.151 -9.431 1.00 0.00 C ATOM 957 CG HIS A 61 0.559 3.533 -9.398 1.00 0.00 C ATOM 958 ND1 HIS A 61 1.643 3.893 -10.178 1.00 0.00 N ATOM 959 CD2 HIS A 61 0.223 4.638 -8.672 1.00 0.00 C ATOM 960 CE1 HIS A 61 1.939 5.159 -9.925 1.00 0.00 C ATOM 961 NE2 HIS A 61 1.058 5.619 -8.990 1.00 0.00 N ATOM 0 H HIS A 61 0.789 1.717 -6.409 1.00 0.00 H new ATOM 0 HA HIS A 61 0.251 0.180 -8.733 1.00 0.00 H new ATOM 0 HB2 HIS A 61 0.064 1.739 -10.434 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -1.120 2.232 -9.239 1.00 0.00 H new ATOM 0 HD1 HIS A 61 2.132 3.286 -10.836 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -0.586 4.703 -7.959 1.00 0.00 H new ATOM 0 HE1 HIS A 61 2.737 5.727 -10.379 1.00 0.00 H new ATOM 969 N ARG A 62 2.672 0.150 -8.972 1.00 0.00 N ATOM 970 CA ARG A 62 4.119 0.042 -9.042 1.00 0.00 C ATOM 971 C ARG A 62 4.693 1.164 -9.911 1.00 0.00 C ATOM 972 O ARG A 62 3.959 1.821 -10.647 1.00 0.00 O ATOM 973 CB ARG A 62 4.544 -1.309 -9.620 1.00 0.00 C ATOM 974 CG ARG A 62 5.353 -2.113 -8.600 1.00 0.00 C ATOM 975 CD ARG A 62 6.511 -2.850 -9.276 1.00 0.00 C ATOM 976 NE ARG A 62 6.434 -4.297 -8.975 1.00 0.00 N ATOM 977 CZ ARG A 62 5.631 -5.156 -9.617 1.00 0.00 C ATOM 978 NH1 ARG A 62 4.831 -4.719 -10.599 1.00 0.00 N ATOM 979 NH2 ARG A 62 5.628 -6.452 -9.277 1.00 0.00 N ATOM 0 H ARG A 62 2.166 -0.640 -9.373 1.00 0.00 H new ATOM 0 HA ARG A 62 4.507 0.128 -8.027 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.661 -1.875 -9.917 1.00 0.00 H new ATOM 0 HB3 ARG A 62 5.139 -1.152 -10.519 1.00 0.00 H new ATOM 0 HG2 ARG A 62 5.742 -1.445 -7.831 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.703 -2.831 -8.100 1.00 0.00 H new ATOM 0 HD2 ARG A 62 6.474 -2.692 -10.354 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.462 -2.448 -8.927 1.00 0.00 H new ATOM 0 HE ARG A 62 7.030 -4.663 -8.232 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.833 -3.732 -10.858 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.220 -5.373 -11.088 1.00 0.00 H new ATOM 0 HH21 ARG A 62 6.237 -6.785 -8.529 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.017 -7.106 -9.766 1.00 0.00 H new ATOM 1111 N LEU A 71 -5.745 -4.308 -5.534 1.00 0.00 N ATOM 1112 CA LEU A 71 -5.496 -4.744 -4.170 1.00 0.00 C ATOM 1113 C LEU A 71 -6.003 -6.177 -3.996 1.00 0.00 C ATOM 1114 O LEU A 71 -5.528 -6.906 -3.127 1.00 0.00 O ATOM 1115 CB LEU A 71 -6.099 -3.753 -3.172 1.00 0.00 C ATOM 1116 CG LEU A 71 -5.817 -2.273 -3.443 1.00 0.00 C ATOM 1117 CD1 LEU A 71 -7.043 -1.415 -3.127 1.00 0.00 C ATOM 1118 CD2 LEU A 71 -4.577 -1.804 -2.679 1.00 0.00 C ATOM 0 HA LEU A 71 -4.426 -4.757 -3.964 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.179 -3.899 -3.153 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -5.726 -3.997 -2.177 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.606 -2.153 -4.506 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.816 -0.368 -3.328 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -7.879 -1.731 -3.751 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.309 -1.533 -2.077 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.398 -0.749 -2.888 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.736 -1.940 -1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.713 -2.388 -2.994 1.00 0.00 H new ATOM 1130 N GLU A 72 -6.961 -6.538 -4.837 1.00 0.00 N ATOM 1131 CA GLU A 72 -7.538 -7.870 -4.788 1.00 0.00 C ATOM 1132 C GLU A 72 -6.432 -8.928 -4.798 1.00 0.00 C ATOM 1133 O GLU A 72 -6.611 -10.023 -4.268 1.00 0.00 O ATOM 1134 CB GLU A 72 -8.516 -8.088 -5.944 1.00 0.00 C ATOM 1135 CG GLU A 72 -9.954 -7.800 -5.507 1.00 0.00 C ATOM 1136 CD GLU A 72 -10.567 -9.013 -4.804 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -10.703 -10.054 -5.483 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -10.885 -8.872 -3.603 1.00 0.00 O ATOM 0 H GLU A 72 -7.352 -5.930 -5.557 1.00 0.00 H new ATOM 0 HA GLU A 72 -8.099 -7.967 -3.859 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.249 -7.439 -6.778 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.439 -9.115 -6.301 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.969 -6.941 -4.837 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -10.556 -7.536 -6.376 1.00 0.00 H new ATOM 1145 N ASN A 73 -5.314 -8.563 -5.408 1.00 0.00 N ATOM 1146 CA ASN A 73 -4.180 -9.466 -5.495 1.00 0.00 C ATOM 1147 C ASN A 73 -3.538 -9.606 -4.113 1.00 0.00 C ATOM 1148 O ASN A 73 -3.551 -8.666 -3.320 1.00 0.00 O ATOM 1149 CB ASN A 73 -3.119 -8.928 -6.456 1.00 0.00 C ATOM 1150 CG ASN A 73 -3.752 -8.472 -7.772 1.00 0.00 C ATOM 1151 OD1 ASN A 73 -4.669 -9.084 -8.294 1.00 0.00 O ATOM 1152 ND2 ASN A 73 -3.213 -7.366 -8.278 1.00 0.00 N ATOM 0 H ASN A 73 -5.170 -7.654 -5.847 1.00 0.00 H new ATOM 0 HA ASN A 73 -4.542 -10.427 -5.860 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -2.593 -8.093 -5.993 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -2.377 -9.701 -6.654 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -3.566 -6.981 -9.154 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -2.447 -6.903 -7.790 1.00 0.00 H new ATOM 1159 N PRO A 74 -2.977 -10.819 -3.860 1.00 0.00 N ATOM 1160 CA PRO A 74 -2.332 -11.094 -2.587 1.00 0.00 C ATOM 1161 C PRO A 74 -0.967 -10.407 -2.505 1.00 0.00 C ATOM 1162 O PRO A 74 -0.226 -10.371 -3.486 1.00 0.00 O ATOM 1163 CB PRO A 74 -2.239 -12.610 -2.513 1.00 0.00 C ATOM 1164 CG PRO A 74 -2.410 -13.108 -3.938 1.00 0.00 C ATOM 1165 CD PRO A 74 -2.943 -11.956 -4.775 1.00 0.00 C ATOM 0 HA PRO A 74 -2.891 -10.700 -1.738 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -1.279 -12.923 -2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -3.012 -13.017 -1.862 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -1.458 -13.460 -4.336 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -3.099 -13.952 -3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -2.298 -11.757 -5.631 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -3.935 -12.178 -5.168 1.00 0.00 H new ATOM 1173 N VAL A 75 -0.676 -9.880 -1.325 1.00 0.00 N ATOM 1174 CA VAL A 75 0.587 -9.197 -1.101 1.00 0.00 C ATOM 1175 C VAL A 75 1.740 -10.134 -1.464 1.00 0.00 C ATOM 1176 O VAL A 75 2.859 -9.683 -1.704 1.00 0.00 O ATOM 1177 CB VAL A 75 0.659 -8.690 0.340 1.00 0.00 C ATOM 1178 CG1 VAL A 75 -0.335 -7.550 0.571 1.00 0.00 C ATOM 1179 CG2 VAL A 75 0.429 -9.829 1.335 1.00 0.00 C ATOM 0 H VAL A 75 -1.293 -9.912 -0.514 1.00 0.00 H new ATOM 0 HA VAL A 75 0.667 -8.320 -1.744 1.00 0.00 H new ATOM 0 HB VAL A 75 1.662 -8.298 0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -0.263 -7.208 1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.104 -6.724 -0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -1.347 -7.905 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 75 0.486 -9.441 2.352 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -0.556 -10.265 1.167 1.00 0.00 H new ATOM 0 HG23 VAL A 75 1.193 -10.594 1.196 1.00 0.00 H new ATOM 1189 N SER A 76 1.428 -11.421 -1.494 1.00 0.00 N ATOM 1190 CA SER A 76 2.425 -12.426 -1.823 1.00 0.00 C ATOM 1191 C SER A 76 3.000 -12.155 -3.215 1.00 0.00 C ATOM 1192 O SER A 76 4.071 -12.654 -3.556 1.00 0.00 O ATOM 1193 CB SER A 76 1.830 -13.834 -1.759 1.00 0.00 C ATOM 1194 OG SER A 76 1.377 -14.281 -3.034 1.00 0.00 O ATOM 0 H SER A 76 0.499 -11.791 -1.296 1.00 0.00 H new ATOM 0 HA SER A 76 3.227 -12.367 -1.087 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.580 -14.527 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 76 0.998 -13.844 -1.055 1.00 0.00 H new ATOM 0 HG SER A 76 1.006 -15.184 -2.951 1.00 0.00 H new ATOM 1200 N SER A 77 2.261 -11.367 -3.983 1.00 0.00 N ATOM 1201 CA SER A 77 2.684 -11.025 -5.330 1.00 0.00 C ATOM 1202 C SER A 77 3.422 -9.684 -5.322 1.00 0.00 C ATOM 1203 O SER A 77 4.077 -9.327 -6.300 1.00 0.00 O ATOM 1204 CB SER A 77 1.490 -10.968 -6.284 1.00 0.00 C ATOM 1205 OG SER A 77 1.615 -11.901 -7.353 1.00 0.00 O ATOM 0 H SER A 77 1.372 -10.956 -3.698 1.00 0.00 H new ATOM 0 HA SER A 77 3.361 -11.803 -5.684 1.00 0.00 H new ATOM 0 HB2 SER A 77 0.574 -11.172 -5.730 1.00 0.00 H new ATOM 0 HB3 SER A 77 1.399 -9.961 -6.691 1.00 0.00 H new ATOM 0 HG SER A 77 0.832 -11.834 -7.939 1.00 0.00 H new ATOM 1211 N VAL A 78 3.291 -8.979 -4.208 1.00 0.00 N ATOM 1212 CA VAL A 78 3.937 -7.686 -4.060 1.00 0.00 C ATOM 1213 C VAL A 78 4.880 -7.727 -2.857 1.00 0.00 C ATOM 1214 O VAL A 78 4.874 -6.819 -2.027 1.00 0.00 O ATOM 1215 CB VAL A 78 2.882 -6.583 -3.956 1.00 0.00 C ATOM 1216 CG1 VAL A 78 1.901 -6.649 -5.129 1.00 0.00 C ATOM 1217 CG2 VAL A 78 2.142 -6.657 -2.618 1.00 0.00 C ATOM 0 H VAL A 78 2.747 -9.279 -3.399 1.00 0.00 H new ATOM 0 HA VAL A 78 4.541 -7.458 -4.938 1.00 0.00 H new ATOM 0 HB VAL A 78 3.396 -5.623 -4.003 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.162 -5.854 -5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.445 -6.525 -6.065 1.00 0.00 H new ATOM 0 HG13 VAL A 78 1.397 -7.615 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.398 -5.862 -2.569 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.647 -7.624 -2.529 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.854 -6.538 -1.801 1.00 0.00 H new ATOM 1227 N ALA A 79 5.669 -8.790 -2.799 1.00 0.00 N ATOM 1228 CA ALA A 79 6.616 -8.961 -1.711 1.00 0.00 C ATOM 1229 C ALA A 79 8.034 -8.718 -2.232 1.00 0.00 C ATOM 1230 O ALA A 79 8.986 -9.345 -1.769 1.00 0.00 O ATOM 1231 CB ALA A 79 6.450 -10.356 -1.104 1.00 0.00 C ATOM 0 H ALA A 79 5.672 -9.542 -3.488 1.00 0.00 H new ATOM 0 HA ALA A 79 6.426 -8.236 -0.920 1.00 0.00 H new ATOM 0 HB1 ALA A 79 7.161 -10.484 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 79 5.435 -10.468 -0.723 1.00 0.00 H new ATOM 0 HB3 ALA A 79 6.636 -11.110 -1.869 1.00 0.00 H new ATOM 1237 N SER A 80 8.131 -7.805 -3.187 1.00 0.00 N ATOM 1238 CA SER A 80 9.416 -7.471 -3.776 1.00 0.00 C ATOM 1239 C SER A 80 9.376 -6.054 -4.352 1.00 0.00 C ATOM 1240 O SER A 80 8.373 -5.354 -4.219 1.00 0.00 O ATOM 1241 CB SER A 80 9.802 -8.475 -4.864 1.00 0.00 C ATOM 1242 OG SER A 80 10.901 -9.292 -4.471 1.00 0.00 O ATOM 0 H SER A 80 7.340 -7.286 -3.568 1.00 0.00 H new ATOM 0 HA SER A 80 10.172 -7.517 -2.993 1.00 0.00 H new ATOM 0 HB2 SER A 80 8.945 -9.107 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 80 10.058 -7.939 -5.778 1.00 0.00 H new ATOM 0 HG SER A 80 11.116 -9.920 -5.192 1.00 0.00 H new ATOM 1248 N GLN A 81 10.478 -5.673 -4.981 1.00 0.00 N ATOM 1249 CA GLN A 81 10.581 -4.353 -5.578 1.00 0.00 C ATOM 1250 C GLN A 81 9.972 -3.301 -4.648 1.00 0.00 C ATOM 1251 O GLN A 81 9.765 -3.559 -3.464 1.00 0.00 O ATOM 1252 CB GLN A 81 9.915 -4.320 -6.954 1.00 0.00 C ATOM 1253 CG GLN A 81 10.371 -5.501 -7.813 1.00 0.00 C ATOM 1254 CD GLN A 81 9.892 -5.347 -9.258 1.00 0.00 C ATOM 1255 OE1 GLN A 81 8.707 -5.313 -9.546 1.00 0.00 O ATOM 1256 NE2 GLN A 81 10.877 -5.255 -10.147 1.00 0.00 N ATOM 0 H GLN A 81 11.308 -6.256 -5.090 1.00 0.00 H new ATOM 0 HA GLN A 81 11.637 -4.120 -5.717 1.00 0.00 H new ATOM 0 HB2 GLN A 81 8.832 -4.347 -6.838 1.00 0.00 H new ATOM 0 HB3 GLN A 81 10.158 -3.384 -7.457 1.00 0.00 H new ATOM 0 HG2 GLN A 81 11.459 -5.571 -7.792 1.00 0.00 H new ATOM 0 HG3 GLN A 81 9.983 -6.430 -7.395 1.00 0.00 H new ATOM 0 HE21 GLN A 81 11.848 -5.291 -9.838 1.00 0.00 H new ATOM 0 HE22 GLN A 81 10.661 -5.149 -11.138 1.00 0.00 H new ATOM 1265 N THR A 82 9.701 -2.137 -5.221 1.00 0.00 N ATOM 1266 CA THR A 82 9.119 -1.046 -4.459 1.00 0.00 C ATOM 1267 C THR A 82 7.887 -0.491 -5.176 1.00 0.00 C ATOM 1268 O THR A 82 7.956 -0.136 -6.352 1.00 0.00 O ATOM 1269 CB THR A 82 10.209 0.002 -4.226 1.00 0.00 C ATOM 1270 OG1 THR A 82 11.144 -0.653 -3.373 1.00 0.00 O ATOM 1271 CG2 THR A 82 9.715 1.188 -3.395 1.00 0.00 C ATOM 0 H THR A 82 9.874 -1.926 -6.204 1.00 0.00 H new ATOM 0 HA THR A 82 8.763 -1.389 -3.487 1.00 0.00 H new ATOM 0 HB THR A 82 10.577 0.361 -5.187 1.00 0.00 H new ATOM 0 HG1 THR A 82 11.886 -0.045 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 82 10.528 1.901 -3.260 1.00 0.00 H new ATOM 0 HG22 THR A 82 8.888 1.675 -3.911 1.00 0.00 H new ATOM 0 HG23 THR A 82 9.377 0.834 -2.421 1.00 0.00 H new ATOM 1279 N LEU A 83 6.788 -0.434 -4.439 1.00 0.00 N ATOM 1280 CA LEU A 83 5.542 0.072 -4.990 1.00 0.00 C ATOM 1281 C LEU A 83 5.526 1.598 -4.888 1.00 0.00 C ATOM 1282 O LEU A 83 6.323 2.183 -4.155 1.00 0.00 O ATOM 1283 CB LEU A 83 4.345 -0.603 -4.316 1.00 0.00 C ATOM 1284 CG LEU A 83 4.400 -2.129 -4.224 1.00 0.00 C ATOM 1285 CD1 LEU A 83 3.627 -2.632 -3.003 1.00 0.00 C ATOM 1286 CD2 LEU A 83 3.907 -2.775 -5.521 1.00 0.00 C ATOM 0 H LEU A 83 6.734 -0.730 -3.464 1.00 0.00 H new ATOM 0 HA LEU A 83 5.465 -0.177 -6.048 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.247 -0.201 -3.307 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.442 -0.324 -4.859 1.00 0.00 H new ATOM 0 HG LEU A 83 5.440 -2.426 -4.092 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.682 -3.720 -2.961 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.064 -2.211 -2.097 1.00 0.00 H new ATOM 0 HD13 LEU A 83 2.584 -2.324 -3.080 1.00 0.00 H new ATOM 0 HD21 LEU A 83 3.956 -3.860 -5.429 1.00 0.00 H new ATOM 0 HD22 LEU A 83 2.877 -2.473 -5.709 1.00 0.00 H new ATOM 0 HD23 LEU A 83 4.536 -2.452 -6.350 1.00 0.00 H new ATOM 1298 N VAL A 84 4.610 2.200 -5.633 1.00 0.00 N ATOM 1299 CA VAL A 84 4.480 3.647 -5.635 1.00 0.00 C ATOM 1300 C VAL A 84 3.040 4.026 -5.286 1.00 0.00 C ATOM 1301 O VAL A 84 2.119 3.752 -6.054 1.00 0.00 O ATOM 1302 CB VAL A 84 4.938 4.212 -6.981 1.00 0.00 C ATOM 1303 CG1 VAL A 84 4.819 5.737 -7.005 1.00 0.00 C ATOM 1304 CG2 VAL A 84 6.365 3.768 -7.305 1.00 0.00 C ATOM 0 H VAL A 84 3.951 1.712 -6.239 1.00 0.00 H new ATOM 0 HA VAL A 84 5.125 4.089 -4.876 1.00 0.00 H new ATOM 0 HB VAL A 84 4.280 3.813 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.151 6.113 -7.973 1.00 0.00 H new ATOM 0 HG12 VAL A 84 3.780 6.024 -6.841 1.00 0.00 H new ATOM 0 HG13 VAL A 84 5.441 6.163 -6.218 1.00 0.00 H new ATOM 0 HG21 VAL A 84 6.666 4.183 -8.267 1.00 0.00 H new ATOM 0 HG22 VAL A 84 7.042 4.124 -6.528 1.00 0.00 H new ATOM 0 HG23 VAL A 84 6.406 2.680 -7.351 1.00 0.00 H new ATOM 1314 N LEU A 85 2.889 4.649 -4.126 1.00 0.00 N ATOM 1315 CA LEU A 85 1.576 5.068 -3.666 1.00 0.00 C ATOM 1316 C LEU A 85 1.367 6.544 -4.010 1.00 0.00 C ATOM 1317 O LEU A 85 2.274 7.359 -3.842 1.00 0.00 O ATOM 1318 CB LEU A 85 1.404 4.752 -2.179 1.00 0.00 C ATOM 1319 CG LEU A 85 0.008 4.992 -1.600 1.00 0.00 C ATOM 1320 CD1 LEU A 85 -0.287 6.489 -1.482 1.00 0.00 C ATOM 1321 CD2 LEU A 85 -1.058 4.261 -2.418 1.00 0.00 C ATOM 0 H LEU A 85 3.655 4.874 -3.491 1.00 0.00 H new ATOM 0 HA LEU A 85 0.795 4.507 -4.180 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.668 3.707 -2.017 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.118 5.353 -1.615 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.019 4.578 -0.592 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.285 6.632 -1.068 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.448 6.954 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -0.234 6.949 -2.469 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.041 4.448 -1.985 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.039 4.623 -3.446 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.855 3.190 -2.407 1.00 0.00 H new ATOM 1333 N ASP A 86 0.167 6.844 -4.485 1.00 0.00 N ATOM 1334 CA ASP A 86 -0.172 8.208 -4.853 1.00 0.00 C ATOM 1335 C ASP A 86 -1.382 8.666 -4.037 1.00 0.00 C ATOM 1336 O ASP A 86 -2.524 8.483 -4.456 1.00 0.00 O ATOM 1337 CB ASP A 86 -0.539 8.303 -6.336 1.00 0.00 C ATOM 1338 CG ASP A 86 0.438 9.110 -7.193 1.00 0.00 C ATOM 1339 OD1 ASP A 86 1.603 8.668 -7.294 1.00 0.00 O ATOM 1340 OD2 ASP A 86 -0.002 10.151 -7.728 1.00 0.00 O ATOM 0 H ASP A 86 -0.582 6.166 -4.623 1.00 0.00 H new ATOM 0 HA ASP A 86 0.696 8.837 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -0.608 7.294 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.529 8.750 -6.422 1.00 0.00 H new ATOM 1345 N THR A 87 -1.091 9.254 -2.885 1.00 0.00 N ATOM 1346 CA THR A 87 -2.141 9.739 -2.006 1.00 0.00 C ATOM 1347 C THR A 87 -3.025 10.750 -2.739 1.00 0.00 C ATOM 1348 O THR A 87 -2.604 11.344 -3.731 1.00 0.00 O ATOM 1349 CB THR A 87 -1.479 10.309 -0.750 1.00 0.00 C ATOM 1350 OG1 THR A 87 -0.524 11.240 -1.252 1.00 0.00 O ATOM 1351 CG2 THR A 87 -0.634 9.271 -0.010 1.00 0.00 C ATOM 0 H THR A 87 -0.143 9.405 -2.541 1.00 0.00 H new ATOM 0 HA THR A 87 -2.808 8.932 -1.702 1.00 0.00 H new ATOM 0 HB THR A 87 -2.247 10.696 -0.080 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.050 11.658 -0.503 1.00 0.00 H new ATOM 0 HG21 THR A 87 -0.187 9.728 0.873 1.00 0.00 H new ATOM 0 HG22 THR A 87 -1.266 8.437 0.294 1.00 0.00 H new ATOM 0 HG23 THR A 87 0.155 8.907 -0.669 1.00 0.00 H new ATOM 1359 N PRO A 88 -4.266 10.919 -2.209 1.00 0.00 N ATOM 1360 CA PRO A 88 -5.213 11.848 -2.802 1.00 0.00 C ATOM 1361 C PRO A 88 -4.839 13.295 -2.477 1.00 0.00 C ATOM 1362 O PRO A 88 -4.174 13.558 -1.475 1.00 0.00 O ATOM 1363 CB PRO A 88 -6.565 11.443 -2.239 1.00 0.00 C ATOM 1364 CG PRO A 88 -6.270 10.610 -1.003 1.00 0.00 C ATOM 1365 CD PRO A 88 -4.798 10.234 -1.035 1.00 0.00 C ATOM 0 HA PRO A 88 -5.220 11.804 -3.891 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -7.161 12.320 -1.986 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.136 10.870 -2.969 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -6.500 11.174 -0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -6.892 9.715 -0.988 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -4.288 10.552 -0.126 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -4.667 9.155 -1.113 1.00 0.00 H new