USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= -0.0667 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc= -7.72! C(o=-14!,f=-7.7!) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.128 K(o=-0.13,f=-1.9!) USER MOD Single : A 45 GLN : amide:sc= -0.59 K(o=-0.59,f=-4.1!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00544 K(o=-0.0054,f=-0.52) USER MOD Single : A 50 THR OG1 : rot 50:sc= 0.923 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -83:sc= -0.741 USER MOD Single : A 59 MET CE :methyl -166:sc=-0.00138 (180deg=-0.147) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N ILE A 13 -11.310 -8.262 12.081 1.00 0.00 N ATOM 152 CA ILE A 13 -11.006 -7.076 11.290 1.00 0.00 C ATOM 153 C ILE A 13 -9.574 -6.609 11.527 1.00 0.00 C ATOM 154 O ILE A 13 -8.923 -7.032 12.482 1.00 0.00 O ATOM 155 CB ILE A 13 -11.971 -5.921 11.615 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.423 -6.388 11.486 1.00 0.00 C ATOM 157 CG2 ILE A 13 -11.707 -4.737 10.697 1.00 0.00 C ATOM 158 CD1 ILE A 13 -13.816 -6.756 10.072 1.00 0.00 C ATOM 0 HA ILE A 13 -11.126 -7.355 10.243 1.00 0.00 H new ATOM 0 HB ILE A 13 -11.801 -5.604 12.644 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.578 -7.251 12.134 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.083 -5.598 11.844 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.397 -3.928 10.939 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -10.682 -4.392 10.833 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -11.853 -5.041 9.660 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -14.857 -7.078 10.056 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -13.694 -5.889 9.423 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.180 -7.567 9.717 1.00 0.00 H new ATOM 170 N ALA A 14 -9.091 -5.734 10.653 1.00 0.00 N ATOM 171 CA ALA A 14 -7.737 -5.206 10.769 1.00 0.00 C ATOM 172 C ALA A 14 -7.739 -3.681 10.747 1.00 0.00 C ATOM 173 O ALA A 14 -8.396 -3.063 9.909 1.00 0.00 O ATOM 174 CB ALA A 14 -6.860 -5.750 9.651 1.00 0.00 C ATOM 0 H ALA A 14 -9.617 -5.375 9.856 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.329 -5.530 11.726 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.852 -5.347 9.750 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -6.824 -6.838 9.713 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.275 -5.455 8.687 1.00 0.00 H new ATOM 180 N ARG A 15 -7.000 -3.080 11.674 1.00 0.00 N ATOM 181 CA ARG A 15 -6.918 -1.627 11.762 1.00 0.00 C ATOM 182 C ARG A 15 -5.683 -1.107 11.033 1.00 0.00 C ATOM 183 O ARG A 15 -4.634 -0.893 11.642 1.00 0.00 O ATOM 184 CB ARG A 15 -6.883 -1.185 13.226 1.00 0.00 C ATOM 185 CG ARG A 15 -7.370 0.239 13.444 1.00 0.00 C ATOM 186 CD ARG A 15 -8.011 0.404 14.813 1.00 0.00 C ATOM 187 NE ARG A 15 -7.848 1.759 15.333 1.00 0.00 N ATOM 188 CZ ARG A 15 -6.761 2.176 15.972 1.00 0.00 C ATOM 189 NH1 ARG A 15 -5.745 1.346 16.168 1.00 0.00 N ATOM 190 NH2 ARG A 15 -6.687 3.424 16.416 1.00 0.00 N ATOM 0 H ARG A 15 -6.450 -3.577 12.375 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.804 -1.208 11.284 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.497 -1.865 13.817 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -5.862 -1.272 13.599 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -6.533 0.930 13.347 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.091 0.501 12.669 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -9.073 0.166 14.747 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -7.567 -0.308 15.509 1.00 0.00 H new ATOM 0 HE ARG A 15 -8.611 2.422 15.198 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -5.798 0.386 15.828 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -4.911 1.668 16.659 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -7.466 4.065 16.267 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -5.851 3.742 16.907 1.00 0.00 H new ATOM 204 N ILE A 16 -5.815 -0.906 9.726 1.00 0.00 N ATOM 205 CA ILE A 16 -4.710 -0.410 8.914 1.00 0.00 C ATOM 206 C ILE A 16 -4.759 1.108 8.787 1.00 0.00 C ATOM 207 O ILE A 16 -5.545 1.651 8.011 1.00 0.00 O ATOM 208 CB ILE A 16 -4.723 -1.033 7.506 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.347 -2.429 7.547 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.312 -1.094 6.941 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.597 -3.401 8.430 1.00 0.00 C ATOM 0 H ILE A 16 -6.676 -1.079 9.207 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.790 -0.699 9.422 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.328 -0.405 6.853 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.375 -2.348 7.901 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.389 -2.829 6.534 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.338 -1.537 5.945 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -2.901 -0.086 6.880 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.685 -1.703 7.593 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -5.096 -4.370 8.411 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.576 -3.512 8.064 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.577 -3.023 9.452 1.00 0.00 H new ATOM 223 N GLN A 17 -3.912 1.788 9.554 1.00 0.00 N ATOM 224 CA GLN A 17 -3.858 3.245 9.526 1.00 0.00 C ATOM 225 C GLN A 17 -2.876 3.734 8.467 1.00 0.00 C ATOM 226 O GLN A 17 -1.807 3.151 8.280 1.00 0.00 O ATOM 227 CB GLN A 17 -3.458 3.788 10.899 1.00 0.00 C ATOM 228 CG GLN A 17 -3.293 5.299 10.931 1.00 0.00 C ATOM 229 CD GLN A 17 -2.844 5.808 12.286 1.00 0.00 C ATOM 230 OE1 GLN A 17 -2.913 5.092 13.286 1.00 0.00 O ATOM 231 NE2 GLN A 17 -2.379 7.051 12.327 1.00 0.00 N ATOM 0 H GLN A 17 -3.255 1.354 10.202 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.851 3.615 9.272 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -4.213 3.498 11.629 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.522 3.322 11.206 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.566 5.597 10.176 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.240 5.770 10.666 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -2.339 7.609 11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -2.061 7.448 13.211 1.00 0.00 H new ATOM 240 N PHE A 18 -3.244 4.807 7.775 1.00 0.00 N ATOM 241 CA PHE A 18 -2.395 5.373 6.733 1.00 0.00 C ATOM 242 C PHE A 18 -2.028 6.818 7.056 1.00 0.00 C ATOM 243 O PHE A 18 -2.896 7.689 7.128 1.00 0.00 O ATOM 244 CB PHE A 18 -3.102 5.305 5.377 1.00 0.00 C ATOM 245 CG PHE A 18 -3.643 3.943 5.051 1.00 0.00 C ATOM 246 CD1 PHE A 18 -4.877 3.538 5.536 1.00 0.00 C ATOM 247 CD2 PHE A 18 -2.919 3.066 4.259 1.00 0.00 C ATOM 248 CE1 PHE A 18 -5.378 2.285 5.237 1.00 0.00 C ATOM 249 CE2 PHE A 18 -3.415 1.812 3.957 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.646 1.421 4.447 1.00 0.00 C ATOM 0 H PHE A 18 -4.124 5.302 7.917 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.478 4.786 6.687 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.921 6.024 5.367 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.403 5.606 4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.454 4.210 6.155 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -1.956 3.366 3.873 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.341 1.982 5.621 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.841 1.138 3.338 1.00 0.00 H new ATOM 0 HZ PHE A 18 -5.035 0.441 4.213 1.00 0.00 H new ATOM 260 N ARG A 19 -0.737 7.065 7.251 1.00 0.00 N ATOM 261 CA ARG A 19 -0.254 8.403 7.568 1.00 0.00 C ATOM 262 C ARG A 19 0.197 9.132 6.306 1.00 0.00 C ATOM 263 O ARG A 19 1.042 8.638 5.559 1.00 0.00 O ATOM 264 CB ARG A 19 0.902 8.328 8.567 1.00 0.00 C ATOM 265 CG ARG A 19 0.535 7.639 9.872 1.00 0.00 C ATOM 266 CD ARG A 19 1.331 8.200 11.040 1.00 0.00 C ATOM 267 NE ARG A 19 0.744 9.432 11.561 1.00 0.00 N ATOM 268 CZ ARG A 19 0.959 9.886 12.790 1.00 0.00 C ATOM 269 NH1 ARG A 19 1.744 9.214 13.621 1.00 0.00 N ATOM 270 NH2 ARG A 19 0.389 11.016 13.191 1.00 0.00 N ATOM 0 H ARG A 19 -0.006 6.355 7.195 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.076 8.962 8.015 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.735 7.796 8.107 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.250 9.338 8.784 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.531 7.763 10.063 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.720 6.568 9.784 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.380 7.457 11.836 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.355 8.393 10.721 1.00 0.00 H new ATOM 0 HE ARG A 19 0.135 9.973 10.947 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.185 8.346 13.317 1.00 0.00 H new ATOM 0 HH12 ARG A 19 1.907 9.565 14.565 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -0.215 11.536 12.555 1.00 0.00 H new ATOM 0 HH22 ARG A 19 0.555 11.364 14.135 1.00 0.00 H new ATOM 284 N LEU A 20 -0.373 10.310 6.073 1.00 0.00 N ATOM 285 CA LEU A 20 -0.030 11.107 4.901 1.00 0.00 C ATOM 286 C LEU A 20 1.095 12.086 5.219 1.00 0.00 C ATOM 287 O LEU A 20 1.278 12.511 6.360 1.00 0.00 O ATOM 288 CB LEU A 20 -1.259 11.869 4.401 1.00 0.00 C ATOM 289 CG LEU A 20 -2.401 11.014 3.851 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.592 11.886 3.484 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.934 10.211 2.646 1.00 0.00 C ATOM 0 H LEU A 20 -1.074 10.734 6.680 1.00 0.00 H new ATOM 0 HA LEU A 20 0.313 10.430 4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.646 12.472 5.222 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.941 12.560 3.620 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.713 10.316 4.628 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.395 11.260 3.094 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.942 12.415 4.370 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.294 12.608 2.724 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.760 9.609 2.268 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.594 10.891 1.865 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.113 9.557 2.940 1.00 0.00 H new ATOM 303 N PRO A 21 1.867 12.457 4.186 1.00 0.00 N ATOM 304 CA PRO A 21 2.986 13.393 4.330 1.00 0.00 C ATOM 305 C PRO A 21 2.518 14.816 4.617 1.00 0.00 C ATOM 306 O PRO A 21 3.325 15.696 4.917 1.00 0.00 O ATOM 307 CB PRO A 21 3.683 13.324 2.969 1.00 0.00 C ATOM 308 CG PRO A 21 2.617 12.898 2.019 1.00 0.00 C ATOM 309 CD PRO A 21 1.706 11.991 2.798 1.00 0.00 C ATOM 0 HA PRO A 21 3.631 13.131 5.169 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.100 14.291 2.688 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.509 12.613 2.983 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.072 13.759 1.632 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.044 12.379 1.161 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.672 12.076 2.463 1.00 0.00 H new ATOM 0 HD3 PRO A 21 1.992 10.945 2.690 1.00 0.00 H new ATOM 317 N ASP A 22 1.211 15.034 4.525 1.00 0.00 N ATOM 318 CA ASP A 22 0.636 16.350 4.777 1.00 0.00 C ATOM 319 C ASP A 22 0.292 16.519 6.254 1.00 0.00 C ATOM 320 O ASP A 22 0.670 17.507 6.881 1.00 0.00 O ATOM 321 CB ASP A 22 -0.615 16.556 3.922 1.00 0.00 C ATOM 322 CG ASP A 22 -1.135 17.978 3.989 1.00 0.00 C ATOM 323 OD1 ASP A 22 -0.312 18.902 4.161 1.00 0.00 O ATOM 324 OD2 ASP A 22 -2.363 18.168 3.870 1.00 0.00 O ATOM 0 H ASP A 22 0.530 14.316 4.278 1.00 0.00 H new ATOM 0 HA ASP A 22 1.378 17.101 4.507 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.389 16.304 2.886 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.395 15.871 4.254 1.00 0.00 H new ATOM 329 N GLY A 23 -0.430 15.546 6.803 1.00 0.00 N ATOM 330 CA GLY A 23 -0.814 15.607 8.201 1.00 0.00 C ATOM 331 C GLY A 23 -2.018 14.738 8.510 1.00 0.00 C ATOM 332 O GLY A 23 -2.019 13.993 9.489 1.00 0.00 O ATOM 0 H GLY A 23 -0.755 14.718 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.026 15.292 8.820 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.037 16.640 8.469 1.00 0.00 H new ATOM 336 N SER A 24 -3.046 14.835 7.673 1.00 0.00 N ATOM 337 CA SER A 24 -4.263 14.055 7.864 1.00 0.00 C ATOM 338 C SER A 24 -3.992 12.567 7.667 1.00 0.00 C ATOM 339 O SER A 24 -3.112 12.182 6.897 1.00 0.00 O ATOM 340 CB SER A 24 -5.350 14.521 6.893 1.00 0.00 C ATOM 341 OG SER A 24 -5.786 15.832 7.206 1.00 0.00 O ATOM 0 H SER A 24 -3.060 15.446 6.856 1.00 0.00 H new ATOM 0 HA SER A 24 -4.608 14.210 8.886 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.966 14.496 5.873 1.00 0.00 H new ATOM 0 HB3 SER A 24 -6.196 13.834 6.932 1.00 0.00 H new ATOM 0 HG SER A 24 -6.479 16.107 6.570 1.00 0.00 H new ATOM 347 N SER A 25 -4.756 11.735 8.368 1.00 0.00 N ATOM 348 CA SER A 25 -4.597 10.288 8.273 1.00 0.00 C ATOM 349 C SER A 25 -5.944 9.584 8.405 1.00 0.00 C ATOM 350 O SER A 25 -6.793 9.986 9.200 1.00 0.00 O ATOM 351 CB SER A 25 -3.639 9.788 9.356 1.00 0.00 C ATOM 352 OG SER A 25 -2.678 10.776 9.683 1.00 0.00 O ATOM 0 H SER A 25 -5.491 12.038 9.008 1.00 0.00 H new ATOM 0 HA SER A 25 -4.180 10.056 7.293 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.204 9.516 10.248 1.00 0.00 H new ATOM 0 HB3 SER A 25 -3.134 8.886 9.011 1.00 0.00 H new ATOM 0 HG SER A 25 -2.079 10.432 10.378 1.00 0.00 H new ATOM 358 N PHE A 26 -6.132 8.530 7.618 1.00 0.00 N ATOM 359 CA PHE A 26 -7.375 7.768 7.645 1.00 0.00 C ATOM 360 C PHE A 26 -7.118 6.320 8.051 1.00 0.00 C ATOM 361 O PHE A 26 -5.997 5.823 7.946 1.00 0.00 O ATOM 362 CB PHE A 26 -8.054 7.812 6.274 1.00 0.00 C ATOM 363 CG PHE A 26 -7.137 7.455 5.139 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.778 6.137 4.910 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.634 8.438 4.302 1.00 0.00 C ATOM 366 CE1 PHE A 26 -5.934 5.804 3.867 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.791 8.111 3.257 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.440 6.793 3.040 1.00 0.00 C ATOM 0 H PHE A 26 -5.440 8.184 6.954 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.034 8.222 8.385 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.902 7.127 6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.453 8.812 6.107 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.162 5.360 5.554 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.904 9.471 4.468 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.662 4.772 3.699 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.407 8.886 2.610 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.780 6.536 2.225 1.00 0.00 H new ATOM 378 N THR A 27 -8.166 5.648 8.518 1.00 0.00 N ATOM 379 CA THR A 27 -8.055 4.258 8.942 1.00 0.00 C ATOM 380 C THR A 27 -9.279 3.454 8.520 1.00 0.00 C ATOM 381 O THR A 27 -10.386 3.692 9.002 1.00 0.00 O ATOM 382 CB THR A 27 -7.885 4.149 10.469 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.816 4.997 10.905 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.599 2.713 10.881 1.00 0.00 C ATOM 0 H THR A 27 -9.101 6.044 8.612 1.00 0.00 H new ATOM 0 HA THR A 27 -7.170 3.849 8.455 1.00 0.00 H new ATOM 0 HB THR A 27 -8.816 4.467 10.939 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.715 4.923 11.877 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.483 2.661 11.964 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.427 2.075 10.574 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.681 2.373 10.401 1.00 0.00 H new ATOM 392 N ASN A 28 -9.074 2.501 7.617 1.00 0.00 N ATOM 393 CA ASN A 28 -10.162 1.662 7.130 1.00 0.00 C ATOM 394 C ASN A 28 -10.245 0.363 7.926 1.00 0.00 C ATOM 395 O ASN A 28 -9.542 0.187 8.921 1.00 0.00 O ATOM 396 CB ASN A 28 -9.969 1.352 5.644 1.00 0.00 C ATOM 397 CG ASN A 28 -8.518 1.089 5.292 1.00 0.00 C ATOM 398 OD1 ASN A 28 -7.817 0.377 6.167 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 -8.034 1.521 4.246 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.164 2.291 7.208 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.096 2.208 7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -10.568 0.482 5.376 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -10.338 2.188 5.050 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -8.611 2.064 3.603 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.056 1.336 4.022 1.00 0.00 H new ATOM 406 N GLN A 29 -11.107 -0.545 7.479 1.00 0.00 N ATOM 407 CA GLN A 29 -11.282 -1.828 8.149 1.00 0.00 C ATOM 408 C GLN A 29 -11.248 -2.975 7.145 1.00 0.00 C ATOM 409 O GLN A 29 -12.072 -3.041 6.234 1.00 0.00 O ATOM 410 CB GLN A 29 -12.602 -1.848 8.921 1.00 0.00 C ATOM 411 CG GLN A 29 -12.485 -1.318 10.341 1.00 0.00 C ATOM 412 CD GLN A 29 -13.835 -1.069 10.984 1.00 0.00 C ATOM 413 OE1 GLN A 29 -14.125 0.038 11.439 1.00 0.00 O ATOM 414 NE2 GLN A 29 -14.671 -2.101 11.025 1.00 0.00 N ATOM 0 H GLN A 29 -11.695 -0.416 6.656 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.458 -1.959 8.850 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.339 -1.254 8.380 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -12.979 -2.870 8.954 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -11.925 -2.031 10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -11.914 -0.389 10.332 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.390 -3.001 10.636 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -15.594 -1.993 11.445 1.00 0.00 H new ATOM 423 N PHE A 30 -10.288 -3.878 7.319 1.00 0.00 N ATOM 424 CA PHE A 30 -10.146 -5.023 6.427 1.00 0.00 C ATOM 425 C PHE A 30 -10.127 -6.329 7.217 1.00 0.00 C ATOM 426 O PHE A 30 -9.762 -6.368 8.392 1.00 0.00 O ATOM 427 CB PHE A 30 -8.865 -4.896 5.600 1.00 0.00 C ATOM 428 CG PHE A 30 -8.868 -3.718 4.668 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.688 -3.704 3.551 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.050 -2.626 4.909 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.693 -2.621 2.692 1.00 0.00 C ATOM 432 CE2 PHE A 30 -8.052 -1.540 4.053 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.873 -1.538 2.943 1.00 0.00 C ATOM 0 H PHE A 30 -9.598 -3.839 8.069 1.00 0.00 H new ATOM 0 HA PHE A 30 -11.004 -5.037 5.755 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.013 -4.813 6.275 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.725 -5.808 5.020 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -10.330 -4.549 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.404 -2.623 5.775 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -10.337 -2.622 1.825 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.412 -0.694 4.253 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.874 -0.691 2.272 1.00 0.00 H new ATOM 443 N PRO A 31 -10.531 -7.425 6.557 1.00 0.00 N ATOM 444 CA PRO A 31 -10.569 -8.753 7.177 1.00 0.00 C ATOM 445 C PRO A 31 -9.175 -9.308 7.446 1.00 0.00 C ATOM 446 O PRO A 31 -8.337 -9.368 6.547 1.00 0.00 O ATOM 447 CB PRO A 31 -11.295 -9.609 6.136 1.00 0.00 C ATOM 448 CG PRO A 31 -11.045 -8.921 4.839 1.00 0.00 C ATOM 449 CD PRO A 31 -10.979 -7.452 5.155 1.00 0.00 C ATOM 0 HA PRO A 31 -11.059 -8.735 8.151 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.910 -10.629 6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.362 -9.674 6.351 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.114 -9.265 4.388 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.842 -9.131 4.126 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.281 -6.931 4.500 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.950 -6.971 5.034 1.00 0.00 H new ATOM 457 N SER A 32 -8.934 -9.714 8.688 1.00 0.00 N ATOM 458 CA SER A 32 -7.639 -10.262 9.076 1.00 0.00 C ATOM 459 C SER A 32 -7.057 -11.122 7.958 1.00 0.00 C ATOM 460 O SER A 32 -5.840 -11.262 7.838 1.00 0.00 O ATOM 461 CB SER A 32 -7.775 -11.090 10.355 1.00 0.00 C ATOM 462 OG SER A 32 -8.193 -12.413 10.064 1.00 0.00 O ATOM 0 H SER A 32 -9.618 -9.674 9.443 1.00 0.00 H new ATOM 0 HA SER A 32 -6.960 -9.430 9.261 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.820 -11.114 10.880 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.494 -10.617 11.024 1.00 0.00 H new ATOM 0 HG SER A 32 -8.271 -12.922 10.898 1.00 0.00 H new ATOM 468 N ASP A 33 -7.935 -11.697 7.144 1.00 0.00 N ATOM 469 CA ASP A 33 -7.510 -12.543 6.035 1.00 0.00 C ATOM 470 C ASP A 33 -6.965 -11.700 4.886 1.00 0.00 C ATOM 471 O ASP A 33 -5.927 -12.020 4.308 1.00 0.00 O ATOM 472 CB ASP A 33 -8.677 -13.402 5.545 1.00 0.00 C ATOM 473 CG ASP A 33 -9.667 -13.719 6.649 1.00 0.00 C ATOM 474 OD1 ASP A 33 -9.230 -13.882 7.807 1.00 0.00 O ATOM 475 OD2 ASP A 33 -10.877 -13.804 6.354 1.00 0.00 O ATOM 0 H ASP A 33 -8.946 -11.593 7.231 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.713 -13.196 6.392 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -9.192 -12.883 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.290 -14.333 5.130 1.00 0.00 H new ATOM 480 N ALA A 34 -7.673 -10.623 4.561 1.00 0.00 N ATOM 481 CA ALA A 34 -7.259 -9.734 3.483 1.00 0.00 C ATOM 482 C ALA A 34 -5.767 -9.432 3.563 1.00 0.00 C ATOM 483 O ALA A 34 -5.239 -9.063 4.612 1.00 0.00 O ATOM 484 CB ALA A 34 -8.065 -8.444 3.524 1.00 0.00 C ATOM 0 H ALA A 34 -8.536 -10.345 5.029 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.450 -10.238 2.536 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.745 -7.789 2.713 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.124 -8.673 3.409 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.903 -7.944 4.479 1.00 0.00 H new ATOM 490 N PRO A 35 -5.069 -9.590 2.428 1.00 0.00 N ATOM 491 CA PRO A 35 -3.627 -9.339 2.345 1.00 0.00 C ATOM 492 C PRO A 35 -3.289 -7.857 2.461 1.00 0.00 C ATOM 493 O PRO A 35 -4.148 -6.996 2.262 1.00 0.00 O ATOM 494 CB PRO A 35 -3.255 -9.865 0.956 1.00 0.00 C ATOM 495 CG PRO A 35 -4.515 -9.774 0.166 1.00 0.00 C ATOM 496 CD PRO A 35 -5.633 -10.027 1.140 1.00 0.00 C ATOM 0 HA PRO A 35 -3.082 -9.819 3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.462 -9.268 0.506 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.892 -10.892 1.006 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.615 -8.792 -0.297 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.525 -10.509 -0.639 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.528 -9.461 0.880 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.916 -11.079 1.162 1.00 0.00 H new ATOM 504 N LEU A 36 -2.034 -7.564 2.783 1.00 0.00 N ATOM 505 CA LEU A 36 -1.582 -6.184 2.925 1.00 0.00 C ATOM 506 C LEU A 36 -2.001 -5.348 1.720 1.00 0.00 C ATOM 507 O LEU A 36 -2.529 -4.247 1.871 1.00 0.00 O ATOM 508 CB LEU A 36 -0.062 -6.139 3.088 1.00 0.00 C ATOM 509 CG LEU A 36 0.512 -4.848 3.672 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.008 -4.763 3.411 1.00 0.00 C ATOM 511 CD2 LEU A 36 -0.202 -3.636 3.093 1.00 0.00 C ATOM 0 H LEU A 36 -1.311 -8.264 2.951 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.049 -5.764 3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.240 -6.969 3.727 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.393 -6.307 2.112 1.00 0.00 H new ATOM 0 HG LEU A 36 0.352 -4.857 4.750 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.399 -3.838 3.834 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.507 -5.613 3.875 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.191 -4.777 2.337 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.220 -2.726 3.520 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.075 -3.621 2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.264 -3.691 3.333 1.00 0.00 H new ATOM 523 N GLU A 37 -1.762 -5.879 0.525 1.00 0.00 N ATOM 524 CA GLU A 37 -2.116 -5.181 -0.705 1.00 0.00 C ATOM 525 C GLU A 37 -3.478 -4.504 -0.574 1.00 0.00 C ATOM 526 O GLU A 37 -3.611 -3.304 -0.809 1.00 0.00 O ATOM 527 CB GLU A 37 -2.130 -6.155 -1.885 1.00 0.00 C ATOM 528 CG GLU A 37 -2.552 -5.516 -3.197 1.00 0.00 C ATOM 529 CD GLU A 37 -4.054 -5.549 -3.405 1.00 0.00 C ATOM 530 OE1 GLU A 37 -4.755 -4.708 -2.805 1.00 0.00 O ATOM 531 OE2 GLU A 37 -4.528 -6.416 -4.169 1.00 0.00 O ATOM 0 H GLU A 37 -1.325 -6.790 0.383 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.364 -4.413 -0.886 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.135 -6.584 -2.003 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.807 -6.978 -1.657 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.208 -4.482 -3.220 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.063 -6.033 -4.023 1.00 0.00 H new ATOM 538 N GLU A 38 -4.486 -5.285 -0.198 1.00 0.00 N ATOM 539 CA GLU A 38 -5.838 -4.761 -0.038 1.00 0.00 C ATOM 540 C GLU A 38 -5.807 -3.323 0.470 1.00 0.00 C ATOM 541 O GLU A 38 -6.464 -2.443 -0.086 1.00 0.00 O ATOM 542 CB GLU A 38 -6.637 -5.638 0.929 1.00 0.00 C ATOM 543 CG GLU A 38 -7.153 -6.922 0.301 1.00 0.00 C ATOM 544 CD GLU A 38 -7.898 -6.678 -0.997 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.957 -6.018 -0.959 1.00 0.00 O ATOM 546 OE2 GLU A 38 -7.421 -7.148 -2.052 1.00 0.00 O ATOM 0 H GLU A 38 -4.393 -6.281 0.001 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.323 -4.773 -1.014 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.008 -5.888 1.783 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.482 -5.066 1.312 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.315 -7.593 0.114 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.814 -7.427 1.006 1.00 0.00 H new ATOM 553 N ALA A 39 -5.040 -3.092 1.531 1.00 0.00 N ATOM 554 CA ALA A 39 -4.922 -1.762 2.114 1.00 0.00 C ATOM 555 C ALA A 39 -4.338 -0.773 1.111 1.00 0.00 C ATOM 556 O ALA A 39 -4.853 0.332 0.941 1.00 0.00 O ATOM 557 CB ALA A 39 -4.066 -1.810 3.371 1.00 0.00 C ATOM 0 H ALA A 39 -4.491 -3.810 2.004 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.922 -1.420 2.382 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.987 -0.809 3.796 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.526 -2.478 4.099 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.071 -2.177 3.120 1.00 0.00 H new ATOM 563 N ARG A 40 -3.258 -1.177 0.449 1.00 0.00 N ATOM 564 CA ARG A 40 -2.603 -0.325 -0.536 1.00 0.00 C ATOM 565 C ARG A 40 -3.614 0.226 -1.537 1.00 0.00 C ATOM 566 O ARG A 40 -3.596 1.413 -1.861 1.00 0.00 O ATOM 567 CB ARG A 40 -1.513 -1.107 -1.272 1.00 0.00 C ATOM 568 CG ARG A 40 -0.569 -0.226 -2.074 1.00 0.00 C ATOM 569 CD ARG A 40 0.522 -1.046 -2.746 1.00 0.00 C ATOM 570 NE ARG A 40 0.123 -1.506 -4.073 1.00 0.00 N ATOM 571 CZ ARG A 40 0.163 -0.741 -5.159 1.00 0.00 C ATOM 572 NH1 ARG A 40 0.584 0.513 -5.075 1.00 0.00 N ATOM 573 NH2 ARG A 40 -0.217 -1.232 -6.332 1.00 0.00 N ATOM 0 H ARG A 40 -2.819 -2.089 0.577 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.147 0.513 -0.009 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.935 -1.679 -0.546 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.983 -1.826 -1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.133 0.320 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.116 0.516 -1.417 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.428 -0.446 -2.828 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.765 -1.906 -2.122 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.204 -2.467 -4.172 1.00 0.00 H new ATOM 0 HH11 ARG A 40 0.878 0.893 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 40 0.614 1.098 -5.910 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -0.540 -2.197 -6.400 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -0.186 -0.644 -7.165 1.00 0.00 H new ATOM 587 N GLN A 41 -4.492 -0.645 -2.024 1.00 0.00 N ATOM 588 CA GLN A 41 -5.509 -0.246 -2.989 1.00 0.00 C ATOM 589 C GLN A 41 -6.333 0.923 -2.459 1.00 0.00 C ATOM 590 O GLN A 41 -6.460 1.956 -3.118 1.00 0.00 O ATOM 591 CB GLN A 41 -6.426 -1.426 -3.314 1.00 0.00 C ATOM 592 CG GLN A 41 -5.829 -2.402 -4.315 1.00 0.00 C ATOM 593 CD GLN A 41 -6.159 -2.042 -5.750 1.00 0.00 C ATOM 594 OE1 GLN A 41 -7.166 -1.387 -6.022 1.00 0.00 O ATOM 595 NE2 GLN A 41 -5.310 -2.467 -6.678 1.00 0.00 N ATOM 0 H GLN A 41 -4.519 -1.631 -1.766 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.003 0.073 -3.900 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.658 -1.960 -2.392 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.368 -1.045 -3.708 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -4.746 -2.427 -4.191 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.198 -3.405 -4.102 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -4.488 -3.007 -6.408 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -5.480 -2.253 -7.661 1.00 0.00 H new ATOM 604 N PHE A 42 -6.892 0.753 -1.266 1.00 0.00 N ATOM 605 CA PHE A 42 -7.706 1.793 -0.648 1.00 0.00 C ATOM 606 C PHE A 42 -6.931 3.104 -0.551 1.00 0.00 C ATOM 607 O PHE A 42 -7.349 4.126 -1.094 1.00 0.00 O ATOM 608 CB PHE A 42 -8.162 1.353 0.745 1.00 0.00 C ATOM 609 CG PHE A 42 -8.969 2.394 1.468 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.326 2.528 1.226 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.370 3.238 2.389 1.00 0.00 C ATOM 612 CE1 PHE A 42 -11.072 3.484 1.890 1.00 0.00 C ATOM 613 CE2 PHE A 42 -9.110 4.195 3.056 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.463 4.320 2.805 1.00 0.00 C ATOM 0 H PHE A 42 -6.796 -0.095 -0.708 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.582 1.955 -1.276 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.755 0.443 0.654 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.286 1.103 1.343 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.807 1.878 0.510 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.312 3.147 2.588 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.130 3.577 1.693 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.631 4.845 3.773 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.043 5.070 3.323 1.00 0.00 H new ATOM 624 N ALA A 43 -5.800 3.066 0.145 1.00 0.00 N ATOM 625 CA ALA A 43 -4.965 4.249 0.313 1.00 0.00 C ATOM 626 C ALA A 43 -4.761 4.970 -1.016 1.00 0.00 C ATOM 627 O ALA A 43 -4.559 6.183 -1.050 1.00 0.00 O ATOM 628 CB ALA A 43 -3.623 3.867 0.920 1.00 0.00 C ATOM 0 H ALA A 43 -5.440 2.228 0.602 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.477 4.931 0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.010 4.760 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.783 3.404 1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.113 3.163 0.262 1.00 0.00 H new ATOM 634 N ALA A 44 -4.816 4.214 -2.108 1.00 0.00 N ATOM 635 CA ALA A 44 -4.638 4.781 -3.439 1.00 0.00 C ATOM 636 C ALA A 44 -5.909 5.479 -3.912 1.00 0.00 C ATOM 637 O ALA A 44 -5.849 6.469 -4.640 1.00 0.00 O ATOM 638 CB ALA A 44 -4.231 3.696 -4.425 1.00 0.00 C ATOM 0 H ALA A 44 -4.982 3.208 -2.097 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.843 5.525 -3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.102 4.134 -5.415 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.293 3.245 -4.102 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -5.007 2.931 -4.465 1.00 0.00 H new ATOM 644 N GLN A 45 -7.057 4.955 -3.494 1.00 0.00 N ATOM 645 CA GLN A 45 -8.342 5.528 -3.878 1.00 0.00 C ATOM 646 C GLN A 45 -8.522 6.916 -3.272 1.00 0.00 C ATOM 647 O GLN A 45 -9.259 7.747 -3.804 1.00 0.00 O ATOM 648 CB GLN A 45 -9.485 4.613 -3.434 1.00 0.00 C ATOM 649 CG GLN A 45 -9.815 3.521 -4.439 1.00 0.00 C ATOM 650 CD GLN A 45 -10.581 4.044 -5.638 1.00 0.00 C ATOM 651 OE1 GLN A 45 -10.205 5.050 -6.239 1.00 0.00 O ATOM 652 NE2 GLN A 45 -11.663 3.361 -5.993 1.00 0.00 N ATOM 0 H GLN A 45 -7.124 4.136 -2.890 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.360 5.620 -4.964 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.221 4.152 -2.482 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.376 5.216 -3.260 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.891 3.054 -4.779 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -10.402 2.745 -3.947 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -11.939 2.532 -5.466 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.219 3.665 -6.792 1.00 0.00 H new ATOM 661 N THR A 46 -7.843 7.161 -2.155 1.00 0.00 N ATOM 662 CA THR A 46 -7.929 8.448 -1.476 1.00 0.00 C ATOM 663 C THR A 46 -6.854 9.406 -1.975 1.00 0.00 C ATOM 664 O THR A 46 -7.105 10.598 -2.155 1.00 0.00 O ATOM 665 CB THR A 46 -7.789 8.288 0.050 1.00 0.00 C ATOM 666 OG1 THR A 46 -8.886 7.525 0.565 1.00 0.00 O ATOM 667 CG2 THR A 46 -7.744 9.646 0.734 1.00 0.00 C ATOM 0 H THR A 46 -7.228 6.485 -1.702 1.00 0.00 H new ATOM 0 HA THR A 46 -8.912 8.860 -1.703 1.00 0.00 H new ATOM 0 HB THR A 46 -6.855 7.764 0.255 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.789 7.426 1.535 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.645 9.508 1.811 1.00 0.00 H new ATOM 0 HG22 THR A 46 -6.891 10.213 0.361 1.00 0.00 H new ATOM 0 HG23 THR A 46 -8.664 10.191 0.521 1.00 0.00 H new ATOM 675 N VAL A 47 -5.654 8.878 -2.199 1.00 0.00 N ATOM 676 CA VAL A 47 -4.541 9.687 -2.680 1.00 0.00 C ATOM 677 C VAL A 47 -4.212 9.361 -4.132 1.00 0.00 C ATOM 678 O VAL A 47 -3.073 9.513 -4.571 1.00 0.00 O ATOM 679 CB VAL A 47 -3.281 9.475 -1.820 1.00 0.00 C ATOM 680 CG1 VAL A 47 -3.623 9.558 -0.340 1.00 0.00 C ATOM 681 CG2 VAL A 47 -2.629 8.140 -2.150 1.00 0.00 C ATOM 0 H VAL A 47 -5.429 7.894 -2.055 1.00 0.00 H new ATOM 0 HA VAL A 47 -4.852 10.729 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 47 -2.569 10.268 -2.049 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.720 9.406 0.251 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.041 10.540 -0.118 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.353 8.788 -0.092 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -1.740 8.007 -1.533 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.333 7.332 -1.951 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -2.346 8.124 -3.202 1.00 0.00 H new ATOM 691 N GLY A 48 -5.219 8.911 -4.875 1.00 0.00 N ATOM 692 CA GLY A 48 -5.017 8.571 -6.271 1.00 0.00 C ATOM 693 C GLY A 48 -4.640 9.774 -7.113 1.00 0.00 C ATOM 694 O GLY A 48 -5.132 10.879 -6.884 1.00 0.00 O ATOM 0 H GLY A 48 -6.171 8.776 -4.535 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -4.233 7.817 -6.348 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.929 8.125 -6.668 1.00 0.00 H new ATOM 698 N ASN A 49 -3.763 9.561 -8.088 1.00 0.00 N ATOM 699 CA ASN A 49 -3.319 10.638 -8.965 1.00 0.00 C ATOM 700 C ASN A 49 -2.993 11.894 -8.163 1.00 0.00 C ATOM 701 O ASN A 49 -3.306 13.010 -8.579 1.00 0.00 O ATOM 702 CB ASN A 49 -4.393 10.951 -10.009 1.00 0.00 C ATOM 703 CG ASN A 49 -4.499 9.872 -11.070 1.00 0.00 C ATOM 704 OD1 ASN A 49 -3.490 9.369 -11.563 1.00 0.00 O ATOM 705 ND2 ASN A 49 -5.727 9.513 -11.427 1.00 0.00 N ATOM 0 H ASN A 49 -3.346 8.653 -8.291 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.413 10.307 -9.473 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -5.357 11.064 -9.512 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.166 11.905 -10.486 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.862 8.793 -12.137 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -6.535 9.957 -10.991 1.00 0.00 H new ATOM 712 N THR A 50 -2.361 11.705 -7.008 1.00 0.00 N ATOM 713 CA THR A 50 -1.994 12.821 -6.146 1.00 0.00 C ATOM 714 C THR A 50 -0.486 12.873 -5.927 1.00 0.00 C ATOM 715 O THR A 50 0.172 13.846 -6.296 1.00 0.00 O ATOM 716 CB THR A 50 -2.697 12.730 -4.779 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.109 12.583 -4.963 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.416 13.970 -3.943 1.00 0.00 C ATOM 0 H THR A 50 -2.093 10.789 -6.649 1.00 0.00 H new ATOM 0 HA THR A 50 -2.317 13.731 -6.652 1.00 0.00 H new ATOM 0 HB THR A 50 -2.307 11.859 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.282 11.863 -5.605 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.923 13.883 -2.982 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.342 14.063 -3.780 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.781 14.853 -4.467 1.00 0.00 H new ATOM 726 N TYR A 51 0.056 11.819 -5.326 1.00 0.00 N ATOM 727 CA TYR A 51 1.487 11.746 -5.057 1.00 0.00 C ATOM 728 C TYR A 51 2.218 11.025 -6.186 1.00 0.00 C ATOM 729 O TYR A 51 3.365 11.341 -6.499 1.00 0.00 O ATOM 730 CB TYR A 51 1.742 11.028 -3.730 1.00 0.00 C ATOM 731 CG TYR A 51 1.176 11.755 -2.531 1.00 0.00 C ATOM 732 CD1 TYR A 51 1.864 12.811 -1.946 1.00 0.00 C ATOM 733 CD2 TYR A 51 -0.045 11.385 -1.982 1.00 0.00 C ATOM 734 CE1 TYR A 51 1.352 13.477 -0.850 1.00 0.00 C ATOM 735 CE2 TYR A 51 -0.566 12.046 -0.886 1.00 0.00 C ATOM 736 CZ TYR A 51 0.137 13.092 -0.324 1.00 0.00 C ATOM 737 OH TYR A 51 -0.378 13.752 0.768 1.00 0.00 O ATOM 0 H TYR A 51 -0.474 11.004 -5.016 1.00 0.00 H new ATOM 0 HA TYR A 51 1.871 12.764 -4.992 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.308 10.029 -3.777 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.816 10.902 -3.595 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.816 13.116 -2.356 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.597 10.566 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.900 14.295 -0.407 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.517 11.746 -0.472 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.241 13.357 1.012 1.00 0.00 H new ATOM 747 N GLY A 52 1.543 10.055 -6.795 1.00 0.00 N ATOM 748 CA GLY A 52 2.142 9.304 -7.883 1.00 0.00 C ATOM 749 C GLY A 52 2.306 7.834 -7.551 1.00 0.00 C ATOM 750 O GLY A 52 1.327 7.094 -7.482 1.00 0.00 O ATOM 0 H GLY A 52 0.592 9.776 -6.554 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.523 9.405 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.116 9.730 -8.122 1.00 0.00 H new ATOM 754 N ASN A 53 3.550 7.411 -7.347 1.00 0.00 N ATOM 755 CA ASN A 53 3.839 6.018 -7.024 1.00 0.00 C ATOM 756 C ASN A 53 4.210 5.868 -5.551 1.00 0.00 C ATOM 757 O ASN A 53 5.210 5.234 -5.213 1.00 0.00 O ATOM 758 CB ASN A 53 4.976 5.494 -7.903 1.00 0.00 C ATOM 759 CG ASN A 53 4.477 4.940 -9.224 1.00 0.00 C ATOM 760 OD1 ASN A 53 4.683 5.540 -10.279 1.00 0.00 O ATOM 761 ND2 ASN A 53 3.815 3.790 -9.170 1.00 0.00 N ATOM 0 H ASN A 53 4.373 8.012 -7.400 1.00 0.00 H new ATOM 0 HA ASN A 53 2.940 5.432 -7.217 1.00 0.00 H new ATOM 0 HB2 ASN A 53 5.685 6.300 -8.094 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.517 4.715 -7.366 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.454 3.369 -10.026 1.00 0.00 H new ATOM 0 HD22 ASN A 53 3.668 3.328 -8.273 1.00 0.00 H new ATOM 768 N PHE A 54 3.397 6.454 -4.679 1.00 0.00 N ATOM 769 CA PHE A 54 3.639 6.386 -3.243 1.00 0.00 C ATOM 770 C PHE A 54 3.728 4.937 -2.775 1.00 0.00 C ATOM 771 O PHE A 54 3.164 4.036 -3.396 1.00 0.00 O ATOM 772 CB PHE A 54 2.527 7.112 -2.482 1.00 0.00 C ATOM 773 CG PHE A 54 1.308 6.265 -2.250 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.328 5.240 -1.318 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.143 6.494 -2.964 1.00 0.00 C ATOM 776 CE1 PHE A 54 0.208 4.460 -1.101 1.00 0.00 C ATOM 777 CE2 PHE A 54 -0.980 5.717 -2.752 1.00 0.00 C ATOM 778 CZ PHE A 54 -0.947 4.698 -1.820 1.00 0.00 C ATOM 0 H PHE A 54 2.564 6.982 -4.942 1.00 0.00 H new ATOM 0 HA PHE A 54 4.591 6.875 -3.036 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.915 7.447 -1.520 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.239 8.004 -3.038 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.229 5.048 -0.755 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.112 7.289 -3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.236 3.665 -0.370 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.882 5.906 -3.314 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.823 4.088 -1.654 1.00 0.00 H new ATOM 788 N SER A 55 4.443 4.719 -1.675 1.00 0.00 N ATOM 789 CA SER A 55 4.611 3.379 -1.125 1.00 0.00 C ATOM 790 C SER A 55 4.159 3.329 0.331 1.00 0.00 C ATOM 791 O SER A 55 3.821 4.354 0.925 1.00 0.00 O ATOM 792 CB SER A 55 6.073 2.941 -1.232 1.00 0.00 C ATOM 793 OG SER A 55 6.363 2.445 -2.528 1.00 0.00 O ATOM 0 H SER A 55 4.915 5.453 -1.148 1.00 0.00 H new ATOM 0 HA SER A 55 3.990 2.695 -1.704 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.726 3.784 -1.007 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.280 2.171 -0.489 1.00 0.00 H new ATOM 0 HG SER A 55 7.304 2.173 -2.571 1.00 0.00 H new ATOM 799 N LEU A 56 4.154 2.129 0.901 1.00 0.00 N ATOM 800 CA LEU A 56 3.743 1.943 2.289 1.00 0.00 C ATOM 801 C LEU A 56 4.866 1.315 3.109 1.00 0.00 C ATOM 802 O LEU A 56 5.619 0.479 2.611 1.00 0.00 O ATOM 803 CB LEU A 56 2.493 1.065 2.357 1.00 0.00 C ATOM 804 CG LEU A 56 1.240 1.627 1.685 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.151 0.568 1.614 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.742 2.857 2.431 1.00 0.00 C ATOM 0 H LEU A 56 4.430 1.271 0.424 1.00 0.00 H new ATOM 0 HA LEU A 56 3.515 2.922 2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.725 0.102 1.901 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.264 0.874 3.405 1.00 0.00 H new ATOM 0 HG LEU A 56 1.498 1.922 0.668 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.733 0.987 1.133 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.509 -0.284 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.105 0.241 2.622 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.150 3.244 1.939 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.501 2.586 3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.518 3.622 2.430 1.00 0.00 H new ATOM 818 N ALA A 57 4.970 1.723 4.370 1.00 0.00 N ATOM 819 CA ALA A 57 5.997 1.197 5.261 1.00 0.00 C ATOM 820 C ALA A 57 5.508 1.168 6.705 1.00 0.00 C ATOM 821 O ALA A 57 4.479 1.758 7.036 1.00 0.00 O ATOM 822 CB ALA A 57 7.267 2.026 5.148 1.00 0.00 C ATOM 0 H ALA A 57 4.356 2.416 4.797 1.00 0.00 H new ATOM 0 HA ALA A 57 6.216 0.173 4.959 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.026 1.623 5.819 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.634 1.992 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.053 3.059 5.422 1.00 0.00 H new ATOM 828 N THR A 58 6.252 0.476 7.562 1.00 0.00 N ATOM 829 CA THR A 58 5.893 0.368 8.971 1.00 0.00 C ATOM 830 C THR A 58 6.256 1.640 9.730 1.00 0.00 C ATOM 831 O THR A 58 6.731 2.610 9.141 1.00 0.00 O ATOM 832 CB THR A 58 6.593 -0.831 9.638 1.00 0.00 C ATOM 833 OG1 THR A 58 7.999 -0.789 9.370 1.00 0.00 O ATOM 834 CG2 THR A 58 6.014 -2.144 9.134 1.00 0.00 C ATOM 0 H THR A 58 7.107 -0.018 7.305 1.00 0.00 H new ATOM 0 HA THR A 58 4.814 0.219 9.012 1.00 0.00 H new ATOM 0 HB THR A 58 6.427 -0.768 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.176 -1.184 8.491 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.524 -2.976 9.619 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.950 -2.185 9.366 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.153 -2.213 8.055 1.00 0.00 H new ATOM 842 N MET A 59 6.028 1.627 11.039 1.00 0.00 N ATOM 843 CA MET A 59 6.332 2.780 11.878 1.00 0.00 C ATOM 844 C MET A 59 7.449 2.454 12.865 1.00 0.00 C ATOM 845 O MET A 59 8.447 3.169 12.947 1.00 0.00 O ATOM 846 CB MET A 59 5.082 3.232 12.635 1.00 0.00 C ATOM 847 CG MET A 59 4.193 4.171 11.835 1.00 0.00 C ATOM 848 SD MET A 59 4.671 5.900 12.015 1.00 0.00 S ATOM 849 CE MET A 59 4.053 6.253 13.659 1.00 0.00 C ATOM 0 H MET A 59 5.634 0.831 11.541 1.00 0.00 H new ATOM 0 HA MET A 59 6.668 3.590 11.231 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.504 2.354 12.922 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.385 3.729 13.556 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.234 3.894 10.781 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.159 4.048 12.157 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.045 7.331 13.821 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.040 5.864 13.758 1.00 0.00 H new ATOM 0 HE3 MET A 59 4.698 5.780 14.399 1.00 0.00 H new ATOM 859 N PHE A 60 7.272 1.371 13.614 1.00 0.00 N ATOM 860 CA PHE A 60 8.264 0.951 14.597 1.00 0.00 C ATOM 861 C PHE A 60 9.518 0.417 13.911 1.00 0.00 C ATOM 862 O PHE A 60 10.592 1.018 13.969 1.00 0.00 O ATOM 863 CB PHE A 60 7.679 -0.121 15.519 1.00 0.00 C ATOM 864 CG PHE A 60 7.141 0.427 16.810 1.00 0.00 C ATOM 865 CD1 PHE A 60 7.995 0.741 17.854 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.780 0.628 16.979 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.504 1.246 19.043 1.00 0.00 C ATOM 868 CE2 PHE A 60 5.283 1.133 18.165 1.00 0.00 C ATOM 869 CZ PHE A 60 6.145 1.441 19.199 1.00 0.00 C ATOM 0 H PHE A 60 6.451 0.768 13.559 1.00 0.00 H new ATOM 0 HA PHE A 60 8.539 1.822 15.192 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.879 -0.643 14.994 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.450 -0.859 15.740 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.058 0.589 17.738 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.101 0.387 16.175 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.181 1.488 19.849 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.221 1.287 18.283 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.758 1.833 20.128 1.00 0.00 H new ATOM 879 N PRO A 61 9.381 -0.739 13.245 1.00 0.00 N ATOM 880 CA PRO A 61 10.492 -1.380 12.534 1.00 0.00 C ATOM 881 C PRO A 61 10.911 -0.601 11.292 1.00 0.00 C ATOM 882 O PRO A 61 11.934 -0.902 10.676 1.00 0.00 O ATOM 883 CB PRO A 61 9.921 -2.745 12.142 1.00 0.00 C ATOM 884 CG PRO A 61 8.447 -2.536 12.082 1.00 0.00 C ATOM 885 CD PRO A 61 8.131 -1.509 13.134 1.00 0.00 C ATOM 0 HA PRO A 61 11.390 -1.439 13.149 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.313 -3.077 11.181 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.183 -3.509 12.874 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.142 -2.190 11.095 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.913 -3.467 12.272 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.294 -0.876 12.839 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.860 -1.975 14.082 1.00 0.00 H new ATOM 893 N ARG A 62 10.116 0.401 10.931 1.00 0.00 N ATOM 894 CA ARG A 62 10.406 1.222 9.761 1.00 0.00 C ATOM 895 C ARG A 62 11.061 0.391 8.662 1.00 0.00 C ATOM 896 O ARG A 62 12.055 0.805 8.065 1.00 0.00 O ATOM 897 CB ARG A 62 11.317 2.389 10.145 1.00 0.00 C ATOM 898 CG ARG A 62 11.102 3.633 9.299 1.00 0.00 C ATOM 899 CD ARG A 62 11.677 3.464 7.901 1.00 0.00 C ATOM 900 NE ARG A 62 11.925 4.748 7.252 1.00 0.00 N ATOM 901 CZ ARG A 62 13.010 5.483 7.469 1.00 0.00 C ATOM 902 NH1 ARG A 62 13.942 5.063 8.313 1.00 0.00 N ATOM 903 NH2 ARG A 62 13.164 6.642 6.840 1.00 0.00 N ATOM 0 H ARG A 62 9.267 0.664 11.431 1.00 0.00 H new ATOM 0 HA ARG A 62 9.463 1.615 9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.151 2.639 11.193 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.356 2.073 10.054 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.036 3.848 9.231 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.570 4.490 9.785 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.608 2.901 7.958 1.00 0.00 H new ATOM 0 HD3 ARG A 62 10.987 2.878 7.294 1.00 0.00 H new ATOM 0 HE ARG A 62 11.227 5.100 6.596 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.827 4.173 8.798 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.774 5.630 8.477 1.00 0.00 H new ATOM 0 HH21 ARG A 62 12.449 6.968 6.190 1.00 0.00 H new ATOM 0 HH22 ARG A 62 13.997 7.206 7.007 1.00 0.00 H new ATOM 917 N ARG A 63 10.497 -0.784 8.400 1.00 0.00 N ATOM 918 CA ARG A 63 11.027 -1.674 7.374 1.00 0.00 C ATOM 919 C ARG A 63 10.151 -1.645 6.125 1.00 0.00 C ATOM 920 O ARG A 63 8.948 -1.895 6.193 1.00 0.00 O ATOM 921 CB ARG A 63 11.124 -3.104 7.909 1.00 0.00 C ATOM 922 CG ARG A 63 12.264 -3.905 7.304 1.00 0.00 C ATOM 923 CD ARG A 63 12.004 -5.400 7.392 1.00 0.00 C ATOM 924 NE ARG A 63 11.979 -5.870 8.775 1.00 0.00 N ATOM 925 CZ ARG A 63 12.178 -7.136 9.124 1.00 0.00 C ATOM 926 NH1 ARG A 63 12.416 -8.054 8.197 1.00 0.00 N ATOM 927 NH2 ARG A 63 12.140 -7.487 10.403 1.00 0.00 N ATOM 0 H ARG A 63 9.673 -1.141 8.884 1.00 0.00 H new ATOM 0 HA ARG A 63 12.024 -1.326 7.106 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.249 -3.070 8.991 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.184 -3.621 7.713 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.397 -3.619 6.261 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.193 -3.665 7.821 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.053 -5.631 6.913 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.777 -5.936 6.841 1.00 0.00 H new ATOM 0 HE ARG A 63 11.799 -5.189 9.513 1.00 0.00 H new ATOM 0 HH11 ARG A 63 12.447 -7.789 7.213 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.568 -9.025 8.468 1.00 0.00 H new ATOM 0 HH21 ARG A 63 11.958 -6.784 11.120 1.00 0.00 H new ATOM 0 HH22 ARG A 63 12.293 -8.460 10.670 1.00 0.00 H new ATOM 941 N GLU A 64 10.764 -1.339 4.985 1.00 0.00 N ATOM 942 CA GLU A 64 10.039 -1.277 3.722 1.00 0.00 C ATOM 943 C GLU A 64 9.458 -2.641 3.360 1.00 0.00 C ATOM 944 O GLU A 64 10.190 -3.565 3.002 1.00 0.00 O ATOM 945 CB GLU A 64 10.962 -0.790 2.602 1.00 0.00 C ATOM 946 CG GLU A 64 10.221 -0.175 1.427 1.00 0.00 C ATOM 947 CD GLU A 64 11.135 0.128 0.255 1.00 0.00 C ATOM 948 OE1 GLU A 64 11.529 -0.822 -0.452 1.00 0.00 O ATOM 949 OE2 GLU A 64 11.455 1.317 0.046 1.00 0.00 O ATOM 0 H GLU A 64 11.760 -1.131 4.911 1.00 0.00 H new ATOM 0 HA GLU A 64 9.217 -0.571 3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.656 -0.054 3.009 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.560 -1.629 2.245 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.434 -0.855 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.734 0.745 1.751 1.00 0.00 H new ATOM 956 N PHE A 65 8.138 -2.760 3.455 1.00 0.00 N ATOM 957 CA PHE A 65 7.459 -4.011 3.140 1.00 0.00 C ATOM 958 C PHE A 65 8.027 -4.633 1.868 1.00 0.00 C ATOM 959 O PHE A 65 8.490 -3.928 0.971 1.00 0.00 O ATOM 960 CB PHE A 65 5.956 -3.772 2.976 1.00 0.00 C ATOM 961 CG PHE A 65 5.251 -3.480 4.270 1.00 0.00 C ATOM 962 CD1 PHE A 65 4.987 -4.495 5.175 1.00 0.00 C ATOM 963 CD2 PHE A 65 4.854 -2.190 4.582 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.337 -4.229 6.366 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.205 -1.917 5.771 1.00 0.00 C ATOM 966 CZ PHE A 65 3.947 -2.938 6.665 1.00 0.00 C ATOM 0 H PHE A 65 7.517 -2.005 3.748 1.00 0.00 H new ATOM 0 HA PHE A 65 7.623 -4.703 3.966 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.801 -2.938 2.291 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.504 -4.651 2.516 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.292 -5.506 4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.054 -1.388 3.887 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.134 -5.030 7.062 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.900 -0.907 6.001 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.441 -2.727 7.596 1.00 0.00 H new ATOM 976 N THR A 66 7.990 -5.960 1.798 1.00 0.00 N ATOM 977 CA THR A 66 8.503 -6.679 0.639 1.00 0.00 C ATOM 978 C THR A 66 7.373 -7.346 -0.138 1.00 0.00 C ATOM 979 O THR A 66 6.337 -7.693 0.429 1.00 0.00 O ATOM 980 CB THR A 66 9.530 -7.751 1.051 1.00 0.00 C ATOM 981 OG1 THR A 66 10.175 -8.283 -0.111 1.00 0.00 O ATOM 982 CG2 THR A 66 8.857 -8.876 1.824 1.00 0.00 C ATOM 0 H THR A 66 7.610 -6.559 2.531 1.00 0.00 H new ATOM 0 HA THR A 66 8.994 -5.943 0.002 1.00 0.00 H new ATOM 0 HB THR A 66 10.273 -7.282 1.696 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.827 -8.962 0.159 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.602 -9.621 2.104 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.392 -8.472 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.095 -9.342 1.199 1.00 0.00 H new ATOM 990 N ARG A 67 7.581 -7.524 -1.439 1.00 0.00 N ATOM 991 CA ARG A 67 6.579 -8.149 -2.294 1.00 0.00 C ATOM 992 C ARG A 67 5.804 -9.219 -1.530 1.00 0.00 C ATOM 993 O ARG A 67 4.575 -9.181 -1.467 1.00 0.00 O ATOM 994 CB ARG A 67 7.243 -8.767 -3.526 1.00 0.00 C ATOM 995 CG ARG A 67 7.369 -7.806 -4.696 1.00 0.00 C ATOM 996 CD ARG A 67 8.687 -7.048 -4.655 1.00 0.00 C ATOM 997 NE ARG A 67 9.770 -7.799 -5.283 1.00 0.00 N ATOM 998 CZ ARG A 67 10.873 -7.235 -5.764 1.00 0.00 C ATOM 999 NH1 ARG A 67 11.037 -5.921 -5.688 1.00 0.00 N ATOM 1000 NH2 ARG A 67 11.814 -7.985 -6.321 1.00 0.00 N ATOM 0 H ARG A 67 8.434 -7.244 -1.923 1.00 0.00 H new ATOM 0 HA ARG A 67 5.879 -7.378 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.235 -9.125 -3.252 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.666 -9.637 -3.841 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.295 -8.359 -5.632 1.00 0.00 H new ATOM 0 HG3 ARG A 67 6.540 -7.098 -4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.570 -6.090 -5.161 1.00 0.00 H new ATOM 0 HD3 ARG A 67 8.949 -6.832 -3.619 1.00 0.00 H new ATOM 0 HE ARG A 67 9.675 -8.812 -5.357 1.00 0.00 H new ATOM 0 HH11 ARG A 67 10.316 -5.341 -5.260 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.885 -5.491 -6.058 1.00 0.00 H new ATOM 0 HH21 ARG A 67 11.692 -8.996 -6.381 1.00 0.00 H new ATOM 0 HH22 ARG A 67 12.660 -7.551 -6.690 1.00 0.00 H new ATOM 1014 N GLU A 68 6.531 -10.170 -0.953 1.00 0.00 N ATOM 1015 CA GLU A 68 5.910 -11.251 -0.195 1.00 0.00 C ATOM 1016 C GLU A 68 4.854 -10.707 0.762 1.00 0.00 C ATOM 1017 O GLU A 68 3.721 -11.187 0.791 1.00 0.00 O ATOM 1018 CB GLU A 68 6.970 -12.029 0.587 1.00 0.00 C ATOM 1019 CG GLU A 68 7.877 -12.873 -0.293 1.00 0.00 C ATOM 1020 CD GLU A 68 7.269 -14.220 -0.635 1.00 0.00 C ATOM 1021 OE1 GLU A 68 7.089 -15.040 0.289 1.00 0.00 O ATOM 1022 OE2 GLU A 68 6.975 -14.453 -1.826 1.00 0.00 O ATOM 0 H GLU A 68 7.549 -10.215 -0.995 1.00 0.00 H new ATOM 0 HA GLU A 68 5.423 -11.923 -0.902 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.580 -11.326 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.474 -12.677 1.310 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.091 -12.331 -1.214 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.829 -13.027 0.215 1.00 0.00 H new ATOM 1029 N ASP A 69 5.234 -9.702 1.544 1.00 0.00 N ATOM 1030 CA ASP A 69 4.320 -9.092 2.503 1.00 0.00 C ATOM 1031 C ASP A 69 2.940 -8.890 1.885 1.00 0.00 C ATOM 1032 O ASP A 69 1.924 -9.257 2.477 1.00 0.00 O ATOM 1033 CB ASP A 69 4.876 -7.752 2.988 1.00 0.00 C ATOM 1034 CG ASP A 69 6.160 -7.910 3.779 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.530 -9.063 4.085 1.00 0.00 O ATOM 1036 OD2 ASP A 69 6.794 -6.881 4.092 1.00 0.00 O ATOM 0 H ASP A 69 6.168 -9.293 1.533 1.00 0.00 H new ATOM 0 HA ASP A 69 4.222 -9.766 3.354 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.059 -7.106 2.130 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.130 -7.255 3.608 1.00 0.00 H new ATOM 1041 N TYR A 70 2.910 -8.304 0.694 1.00 0.00 N ATOM 1042 CA TYR A 70 1.654 -8.050 -0.002 1.00 0.00 C ATOM 1043 C TYR A 70 0.980 -9.358 -0.404 1.00 0.00 C ATOM 1044 O TYR A 70 -0.239 -9.420 -0.560 1.00 0.00 O ATOM 1045 CB TYR A 70 1.899 -7.187 -1.241 1.00 0.00 C ATOM 1046 CG TYR A 70 2.329 -5.773 -0.920 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.506 -4.927 -0.187 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.556 -5.284 -1.350 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.894 -3.634 0.109 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.952 -3.994 -1.057 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.118 -3.172 -0.328 1.00 0.00 C ATOM 1052 OH TYR A 70 3.508 -1.886 -0.036 1.00 0.00 O ATOM 0 H TYR A 70 3.741 -7.996 0.190 1.00 0.00 H new ATOM 0 HA TYR A 70 0.992 -7.516 0.679 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.664 -7.659 -1.857 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.987 -7.154 -1.836 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.547 -5.286 0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.211 -5.923 -1.923 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.242 -2.989 0.679 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.910 -3.630 -1.397 1.00 0.00 H new ATOM 0 HH TYR A 70 4.396 -1.719 -0.416 1.00 0.00 H new ATOM 1062 N LYS A 71 1.784 -10.403 -0.571 1.00 0.00 N ATOM 1063 CA LYS A 71 1.268 -11.712 -0.953 1.00 0.00 C ATOM 1064 C LYS A 71 0.737 -12.464 0.263 1.00 0.00 C ATOM 1065 O LYS A 71 -0.073 -13.382 0.132 1.00 0.00 O ATOM 1066 CB LYS A 71 2.363 -12.535 -1.636 1.00 0.00 C ATOM 1067 CG LYS A 71 2.977 -11.847 -2.843 1.00 0.00 C ATOM 1068 CD LYS A 71 2.070 -11.939 -4.059 1.00 0.00 C ATOM 1069 CE LYS A 71 2.299 -13.230 -4.829 1.00 0.00 C ATOM 1070 NZ LYS A 71 1.906 -13.100 -6.259 1.00 0.00 N ATOM 0 H LYS A 71 2.796 -10.368 -0.448 1.00 0.00 H new ATOM 0 HA LYS A 71 0.446 -11.560 -1.652 1.00 0.00 H new ATOM 0 HB2 LYS A 71 3.149 -12.750 -0.912 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.945 -13.492 -1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 71 3.167 -10.800 -2.608 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.941 -12.302 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.029 -11.883 -3.742 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.250 -11.087 -4.714 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.351 -13.509 -4.765 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.727 -14.035 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 2.077 -14.001 -6.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 0.896 -12.859 -6.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 2.469 -12.349 -6.707 1.00 0.00 H new ATOM 1084 N ARG A 72 1.197 -12.068 1.446 1.00 0.00 N ATOM 1085 CA ARG A 72 0.767 -12.704 2.685 1.00 0.00 C ATOM 1086 C ARG A 72 -0.470 -12.012 3.251 1.00 0.00 C ATOM 1087 O ARG A 72 -0.782 -10.879 2.884 1.00 0.00 O ATOM 1088 CB ARG A 72 1.897 -12.676 3.716 1.00 0.00 C ATOM 1089 CG ARG A 72 3.201 -13.266 3.206 1.00 0.00 C ATOM 1090 CD ARG A 72 4.402 -12.661 3.916 1.00 0.00 C ATOM 1091 NE ARG A 72 4.668 -13.315 5.195 1.00 0.00 N ATOM 1092 CZ ARG A 72 5.847 -13.281 5.806 1.00 0.00 C ATOM 1093 NH1 ARG A 72 6.863 -12.628 5.259 1.00 0.00 N ATOM 1094 NH2 ARG A 72 6.011 -13.900 6.968 1.00 0.00 N ATOM 0 H ARG A 72 1.867 -11.310 1.572 1.00 0.00 H new ATOM 0 HA ARG A 72 0.512 -13.740 2.463 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.071 -11.645 4.024 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.582 -13.225 4.603 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.195 -14.346 3.354 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.285 -13.092 2.133 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.281 -12.744 3.277 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.228 -11.598 4.082 1.00 0.00 H new ATOM 0 HE ARG A 72 3.907 -13.825 5.643 1.00 0.00 H new ATOM 0 HH11 ARG A 72 6.741 -12.150 4.366 1.00 0.00 H new ATOM 0 HH12 ARG A 72 7.767 -12.604 5.731 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.231 -14.402 7.393 1.00 0.00 H new ATOM 0 HH22 ARG A 72 6.917 -13.874 7.437 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.170 -12.702 4.146 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.373 -12.155 4.761 1.00 0.00 C ATOM 1110 C ARG A 73 -2.017 -11.132 5.836 1.00 0.00 C ATOM 1111 O ARG A 73 -0.976 -11.235 6.486 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.216 -13.277 5.369 1.00 0.00 C ATOM 1113 CG ARG A 73 -3.736 -14.272 4.344 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.761 -15.215 4.954 1.00 0.00 C ATOM 1115 NE ARG A 73 -4.139 -16.415 5.509 1.00 0.00 N ATOM 1116 CZ ARG A 73 -4.728 -17.201 6.403 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -5.946 -16.916 6.842 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -4.097 -18.275 6.861 1.00 0.00 N ATOM 0 H ARG A 73 -0.925 -13.641 4.461 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.952 -11.655 3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.618 -13.809 6.109 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.062 -12.838 5.899 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.186 -13.735 3.509 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.904 -14.849 3.940 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.310 -14.695 5.739 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.487 -15.502 4.194 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.201 -16.663 5.193 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.434 -16.091 6.493 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.395 -17.522 7.529 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -3.159 -18.497 6.526 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.550 -18.878 7.548 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.888 -10.145 6.017 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.666 -9.102 7.013 1.00 0.00 C ATOM 1134 C LEU A 74 -2.337 -9.710 8.373 1.00 0.00 C ATOM 1135 O LEU A 74 -1.275 -9.448 8.941 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.901 -8.207 7.127 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.976 -7.039 6.143 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.399 -6.513 6.047 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -3.021 -5.929 6.559 1.00 0.00 C ATOM 0 H LEU A 74 -3.754 -10.045 5.487 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.817 -8.499 6.690 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.788 -8.827 6.993 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.942 -7.806 8.140 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.676 -7.398 5.158 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.433 -5.682 5.342 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.059 -7.309 5.702 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.727 -6.170 7.028 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.088 -5.106 5.847 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.289 -5.572 7.553 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.001 -6.313 6.575 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.252 -10.522 8.889 1.00 0.00 N ATOM 1152 CA LEU A 75 -3.058 -11.170 10.182 1.00 0.00 C ATOM 1153 C LEU A 75 -1.724 -11.906 10.228 1.00 0.00 C ATOM 1154 O LEU A 75 -1.179 -12.158 11.303 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.203 -12.146 10.462 1.00 0.00 C ATOM 1156 CG LEU A 75 -4.033 -13.558 9.901 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.185 -14.449 10.340 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.933 -13.520 8.383 1.00 0.00 C ATOM 0 H LEU A 75 -4.136 -10.748 8.433 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.051 -10.397 10.951 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.336 -12.219 11.541 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.122 -11.723 10.056 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.107 -13.976 10.295 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -5.047 -15.450 9.931 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.210 -14.502 11.428 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.125 -14.035 9.975 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.812 -14.534 8.001 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.841 -13.082 7.969 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.074 -12.917 8.090 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.202 -12.248 9.056 1.00 0.00 N ATOM 1171 CA ASP A 76 0.072 -12.952 8.961 1.00 0.00 C ATOM 1172 C ASP A 76 1.237 -12.010 9.247 1.00 0.00 C ATOM 1173 O ASP A 76 2.292 -12.436 9.718 1.00 0.00 O ATOM 1174 CB ASP A 76 0.232 -13.577 7.574 1.00 0.00 C ATOM 1175 CG ASP A 76 1.077 -14.835 7.600 1.00 0.00 C ATOM 1176 OD1 ASP A 76 0.807 -15.714 8.445 1.00 0.00 O ATOM 1177 OD2 ASP A 76 2.008 -14.941 6.774 1.00 0.00 O ATOM 0 H ASP A 76 -1.641 -12.049 8.157 1.00 0.00 H new ATOM 0 HA ASP A 76 0.078 -13.744 9.710 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.752 -13.812 7.169 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.688 -12.850 6.902 1.00 0.00 H new ATOM 1182 N LEU A 77 1.039 -10.729 8.957 1.00 0.00 N ATOM 1183 CA LEU A 77 2.074 -9.725 9.182 1.00 0.00 C ATOM 1184 C LEU A 77 1.879 -9.034 10.527 1.00 0.00 C ATOM 1185 O LEU A 77 2.398 -7.941 10.754 1.00 0.00 O ATOM 1186 CB LEU A 77 2.060 -8.689 8.056 1.00 0.00 C ATOM 1187 CG LEU A 77 2.370 -9.216 6.655 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.745 -8.320 5.597 1.00 0.00 C ATOM 1189 CD2 LEU A 77 3.873 -9.323 6.446 1.00 0.00 C ATOM 0 H LEU A 77 0.172 -10.361 8.566 1.00 0.00 H new ATOM 0 HA LEU A 77 3.040 -10.230 9.191 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.078 -8.217 8.036 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.783 -7.910 8.297 1.00 0.00 H new ATOM 0 HG LEU A 77 1.938 -10.212 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.976 -8.711 4.606 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.664 -8.295 5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.146 -7.311 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.075 -9.700 5.443 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.327 -8.339 6.562 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.295 -10.007 7.182 1.00 0.00 H new ATOM 1201 N GLU A 78 1.131 -9.680 11.416 1.00 0.00 N ATOM 1202 CA GLU A 78 0.870 -9.127 12.740 1.00 0.00 C ATOM 1203 C GLU A 78 0.070 -7.831 12.640 1.00 0.00 C ATOM 1204 O GLU A 78 0.134 -6.978 13.526 1.00 0.00 O ATOM 1205 CB GLU A 78 2.185 -8.871 13.478 1.00 0.00 C ATOM 1206 CG GLU A 78 3.097 -10.085 13.537 1.00 0.00 C ATOM 1207 CD GLU A 78 4.529 -9.723 13.878 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.220 -9.152 13.007 1.00 0.00 O ATOM 1209 OE2 GLU A 78 4.960 -10.011 15.014 1.00 0.00 O ATOM 0 H GLU A 78 0.695 -10.586 11.244 1.00 0.00 H new ATOM 0 HA GLU A 78 0.283 -9.854 13.300 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.714 -8.054 12.988 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.964 -8.544 14.494 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.716 -10.785 14.281 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.075 -10.598 12.576 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.683 -7.690 11.554 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.496 -6.499 11.337 1.00 0.00 C ATOM 1218 C LEU A 79 -2.971 -6.791 11.597 1.00 0.00 C ATOM 1219 O LEU A 79 -3.850 -6.093 11.094 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.311 -5.984 9.908 1.00 0.00 C ATOM 1221 CG LEU A 79 0.134 -5.836 9.430 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.178 -5.175 8.062 1.00 0.00 C ATOM 1223 CD2 LEU A 79 0.950 -5.039 10.437 1.00 0.00 C ATOM 0 H LEU A 79 -0.747 -8.386 10.811 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.167 -5.732 12.039 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.830 -6.661 9.229 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.801 -5.014 9.827 1.00 0.00 H new ATOM 0 HG LEU A 79 0.572 -6.830 9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.214 -5.078 7.738 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.371 -5.786 7.345 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.278 -4.187 8.121 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.976 -4.944 10.080 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.513 -4.047 10.556 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.946 -5.554 11.398 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.233 -7.825 12.389 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.600 -8.207 12.720 1.00 0.00 C ATOM 1237 C ALA A 80 -5.254 -7.173 13.630 1.00 0.00 C ATOM 1238 O ALA A 80 -6.292 -6.594 13.308 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.621 -9.579 13.377 1.00 0.00 C ATOM 0 H ALA A 80 -2.516 -8.413 12.814 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.172 -8.251 11.793 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.648 -9.851 13.619 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.202 -10.317 12.693 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.028 -9.554 14.291 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.634 -6.934 14.796 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.139 -5.968 15.776 1.00 0.00 C ATOM 1247 C PRO A 81 -5.002 -4.528 15.296 1.00 0.00 C ATOM 1248 O PRO A 81 -5.899 -3.993 14.644 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.252 -6.210 17.001 1.00 0.00 C ATOM 1250 CG PRO A 81 -2.991 -6.779 16.448 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.393 -7.587 15.245 1.00 0.00 C ATOM 0 HA PRO A 81 -6.203 -6.102 15.969 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.064 -5.283 17.543 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.724 -6.899 17.702 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.294 -5.988 16.171 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.488 -7.403 17.187 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.625 -7.566 14.472 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.559 -8.633 15.501 1.00 0.00 H new ATOM 1259 N SER A 82 -3.873 -3.905 15.621 1.00 0.00 N ATOM 1260 CA SER A 82 -3.621 -2.524 15.224 1.00 0.00 C ATOM 1261 C SER A 82 -2.359 -2.426 14.372 1.00 0.00 C ATOM 1262 O SER A 82 -1.315 -2.973 14.724 1.00 0.00 O ATOM 1263 CB SER A 82 -3.485 -1.633 16.460 1.00 0.00 C ATOM 1264 OG SER A 82 -2.361 -2.008 17.238 1.00 0.00 O ATOM 0 H SER A 82 -3.119 -4.334 16.158 1.00 0.00 H new ATOM 0 HA SER A 82 -4.468 -2.182 14.629 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.387 -0.592 16.153 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.389 -1.704 17.064 1.00 0.00 H new ATOM 0 HG SER A 82 -2.295 -1.422 18.021 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.466 -1.726 13.247 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.335 -1.554 12.344 1.00 0.00 C ATOM 1272 C ALA A 83 -1.276 -0.129 11.803 1.00 0.00 C ATOM 1273 O ALA A 83 -2.309 0.502 11.577 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.416 -2.553 11.200 1.00 0.00 C ATOM 0 H ALA A 83 -3.325 -1.269 12.940 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.420 -1.738 12.908 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.565 -2.413 10.534 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.400 -3.567 11.600 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.341 -2.396 10.645 1.00 0.00 H new ATOM 1280 N SER A 84 -0.062 0.371 11.597 1.00 0.00 N ATOM 1281 CA SER A 84 0.130 1.723 11.085 1.00 0.00 C ATOM 1282 C SER A 84 1.088 1.724 9.898 1.00 0.00 C ATOM 1283 O SER A 84 2.299 1.572 10.063 1.00 0.00 O ATOM 1284 CB SER A 84 0.666 2.637 12.189 1.00 0.00 C ATOM 1285 OG SER A 84 -0.231 2.696 13.283 1.00 0.00 O ATOM 0 H SER A 84 0.803 -0.139 11.777 1.00 0.00 H new ATOM 0 HA SER A 84 -0.836 2.099 10.749 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.635 2.272 12.529 1.00 0.00 H new ATOM 0 HB3 SER A 84 0.825 3.639 11.791 1.00 0.00 H new ATOM 0 HG SER A 84 0.136 3.285 13.975 1.00 0.00 H new ATOM 1291 N VAL A 85 0.537 1.897 8.701 1.00 0.00 N ATOM 1292 CA VAL A 85 1.342 1.918 7.485 1.00 0.00 C ATOM 1293 C VAL A 85 1.559 3.345 6.995 1.00 0.00 C ATOM 1294 O VAL A 85 0.620 4.016 6.565 1.00 0.00 O ATOM 1295 CB VAL A 85 0.683 1.096 6.361 1.00 0.00 C ATOM 1296 CG1 VAL A 85 0.899 -0.392 6.590 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.801 1.419 6.266 1.00 0.00 C ATOM 0 H VAL A 85 -0.463 2.025 8.547 1.00 0.00 H new ATOM 0 HA VAL A 85 2.305 1.472 7.735 1.00 0.00 H new ATOM 0 HB VAL A 85 1.152 1.365 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.426 -0.956 5.786 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.968 -0.607 6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.458 -0.681 7.544 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.251 0.830 5.467 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.287 1.179 7.212 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.929 2.480 6.051 1.00 0.00 H new ATOM 1307 N VAL A 86 2.804 3.805 7.063 1.00 0.00 N ATOM 1308 CA VAL A 86 3.146 5.153 6.625 1.00 0.00 C ATOM 1309 C VAL A 86 3.168 5.248 5.103 1.00 0.00 C ATOM 1310 O VAL A 86 3.683 4.360 4.422 1.00 0.00 O ATOM 1311 CB VAL A 86 4.517 5.592 7.175 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.359 6.257 8.533 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.461 4.402 7.262 1.00 0.00 C ATOM 0 H VAL A 86 3.593 3.264 7.417 1.00 0.00 H new ATOM 0 HA VAL A 86 2.376 5.817 7.017 1.00 0.00 H new ATOM 0 HB VAL A 86 4.949 6.320 6.488 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.337 6.560 8.906 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.720 7.134 8.436 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.907 5.554 9.232 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.425 4.730 7.652 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.037 3.649 7.927 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.598 3.973 6.269 1.00 0.00 H new ATOM 1323 N LEU A 87 2.606 6.330 4.575 1.00 0.00 N ATOM 1324 CA LEU A 87 2.561 6.541 3.133 1.00 0.00 C ATOM 1325 C LEU A 87 3.716 7.427 2.676 1.00 0.00 C ATOM 1326 O LEU A 87 3.818 8.587 3.075 1.00 0.00 O ATOM 1327 CB LEU A 87 1.228 7.176 2.732 1.00 0.00 C ATOM 1328 CG LEU A 87 0.949 7.261 1.231 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.545 7.173 0.960 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.523 8.546 0.654 1.00 0.00 C ATOM 0 H LEU A 87 2.175 7.074 5.124 1.00 0.00 H new ATOM 0 HA LEU A 87 2.656 5.571 2.646 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.423 6.608 3.199 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.189 8.184 3.146 1.00 0.00 H new ATOM 0 HG LEU A 87 1.436 6.418 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.724 7.235 -0.113 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.928 6.225 1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -1.055 7.996 1.461 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.315 8.590 -0.415 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.065 9.403 1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.601 8.568 0.815 1.00 0.00 H new ATOM 1342 N LEU A 88 4.582 6.873 1.835 1.00 0.00 N ATOM 1343 CA LEU A 88 5.730 7.612 1.321 1.00 0.00 C ATOM 1344 C LEU A 88 5.469 8.104 -0.099 1.00 0.00 C ATOM 1345 O LEU A 88 5.385 7.323 -1.047 1.00 0.00 O ATOM 1346 CB LEU A 88 6.981 6.733 1.347 1.00 0.00 C ATOM 1347 CG LEU A 88 7.490 6.330 2.731 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.366 5.090 2.638 1.00 0.00 C ATOM 1349 CD2 LEU A 88 8.255 7.478 3.374 1.00 0.00 C ATOM 0 H LEU A 88 4.511 5.914 1.494 1.00 0.00 H new ATOM 0 HA LEU A 88 5.890 8.479 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.775 5.826 0.779 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.781 7.259 0.827 1.00 0.00 H new ATOM 0 HG LEU A 88 6.630 6.096 3.359 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.719 4.818 3.633 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.787 4.266 2.221 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.221 5.296 1.994 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.610 7.173 4.358 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.107 7.744 2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.597 8.341 3.477 1.00 0.00 H new ATOM 1361 N PRO A 89 5.339 9.431 -0.251 1.00 0.00 N ATOM 1362 CA PRO A 89 5.089 10.057 -1.553 1.00 0.00 C ATOM 1363 C PRO A 89 6.297 9.969 -2.480 1.00 0.00 C ATOM 1364 O PRO A 89 7.440 10.080 -2.038 1.00 0.00 O ATOM 1365 CB PRO A 89 4.795 11.516 -1.194 1.00 0.00 C ATOM 1366 CG PRO A 89 5.492 11.734 0.105 1.00 0.00 C ATOM 1367 CD PRO A 89 5.428 10.421 0.835 1.00 0.00 C ATOM 0 HA PRO A 89 4.280 9.565 -2.093 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.166 12.195 -1.961 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.723 11.693 -1.103 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.525 12.042 -0.054 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.008 12.524 0.680 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.312 10.261 1.453 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.563 10.371 1.496 1.00 0.00 H new ATOM 1375 N ALA A 90 6.035 9.771 -3.768 1.00 0.00 N ATOM 1376 CA ALA A 90 7.100 9.671 -4.757 1.00 0.00 C ATOM 1377 C ALA A 90 7.546 11.053 -5.225 1.00 0.00 C ATOM 1378 O ALA A 90 8.738 11.308 -5.391 1.00 0.00 O ATOM 1379 CB ALA A 90 6.644 8.833 -5.942 1.00 0.00 C ATOM 0 H ALA A 90 5.094 9.677 -4.150 1.00 0.00 H new ATOM 0 HA ALA A 90 7.953 9.182 -4.287 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.450 8.767 -6.673 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.381 7.832 -5.600 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.773 9.299 -6.403 1.00 0.00 H new