USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 129:sc= 0.707 USER MOD Set 1.2: A 42 LYS NZ :NH3+ 173:sc= -4.9! (180deg=-2.1!) USER MOD Set 1.3: A 60 GLN : amide:sc= -3.28! C(o=-7.5!,f=-14!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0435 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -1.51! C(o=-1.5!,f=-4.8!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -2.77! X(o=-2.8!,f=-2.6) USER MOD Single : A 29 GLN : amide:sc= -0.0892 K(o=-0.089,f=-2.2!) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -121:sc= 0.373 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 43 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 169:sc= 0.0589! USER MOD Single : A 55 TYR OH : rot -72:sc= 0.219 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.78! C(o=-1.8!,f=-2.7!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.157 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -98:sc= 0.862 USER MOD Single : A 70 ASN : amide:sc= -1.63 K(o=-1.6,f=-3.9!) USER MOD Single : A 71 LYS NZ :NH3+ 166:sc= 0.627 (180deg=0.511) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.419 X(o=-0.42,f=-0.032) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -158:sc= -0.106 (180deg=-0.597) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.0694 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.268 -12.031 9.934 1.00 0.00 N ATOM 194 CA SER A 10 75.512 -12.784 9.802 1.00 0.00 C ATOM 195 C SER A 10 76.481 -12.066 8.871 1.00 0.00 C ATOM 196 O SER A 10 76.157 -11.020 8.308 1.00 0.00 O ATOM 197 CB SER A 10 75.225 -14.188 9.264 1.00 0.00 C ATOM 198 OG SER A 10 74.950 -15.062 10.351 1.00 0.00 O ATOM 0 HA SER A 10 75.968 -12.863 10.789 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.376 -14.161 8.581 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.080 -14.554 8.696 1.00 0.00 H new ATOM 0 HG SER A 10 74.764 -15.961 10.009 1.00 0.00 H new ATOM 204 N ILE A 11 77.670 -12.639 8.713 1.00 0.00 N ATOM 205 CA ILE A 11 78.684 -12.057 7.843 1.00 0.00 C ATOM 206 C ILE A 11 79.313 -13.118 6.953 1.00 0.00 C ATOM 207 O ILE A 11 79.709 -14.179 7.429 1.00 0.00 O ATOM 208 CB ILE A 11 79.761 -11.366 8.676 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.124 -10.267 9.533 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.812 -10.750 7.750 1.00 0.00 C ATOM 211 CD1 ILE A 11 78.833 -10.814 10.932 1.00 0.00 C ATOM 0 H ILE A 11 77.954 -13.503 9.175 1.00 0.00 H new ATOM 0 HA ILE A 11 78.199 -11.319 7.204 1.00 0.00 H new ATOM 0 HB ILE A 11 80.238 -12.099 9.326 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.793 -9.409 9.599 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.202 -9.918 9.069 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.579 -10.258 8.347 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.269 -11.534 7.146 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.337 -10.019 7.096 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.380 -10.032 11.541 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.148 -11.659 10.857 1.00 0.00 H new ATOM 0 HD13 ILE A 11 79.764 -11.142 11.395 1.00 0.00 H new ATOM 223 N SER A 12 79.402 -12.824 5.658 1.00 0.00 N ATOM 224 CA SER A 12 79.985 -13.756 4.701 1.00 0.00 C ATOM 225 C SER A 12 81.126 -13.093 3.936 1.00 0.00 C ATOM 226 O SER A 12 81.442 -11.927 4.165 1.00 0.00 O ATOM 227 CB SER A 12 78.922 -14.243 3.718 1.00 0.00 C ATOM 228 OG SER A 12 79.481 -15.256 2.892 1.00 0.00 O ATOM 0 H SER A 12 79.078 -11.948 5.249 1.00 0.00 H new ATOM 0 HA SER A 12 80.378 -14.610 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.060 -14.633 4.259 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.567 -13.413 3.107 1.00 0.00 H new ATOM 0 HG SER A 12 78.803 -15.574 2.260 1.00 0.00 H new ATOM 234 N ARG A 13 81.734 -13.847 3.026 1.00 0.00 N ATOM 235 CA ARG A 13 82.838 -13.330 2.223 1.00 0.00 C ATOM 236 C ARG A 13 82.459 -13.260 0.756 1.00 0.00 C ATOM 237 O ARG A 13 81.879 -14.193 0.204 1.00 0.00 O ATOM 238 CB ARG A 13 84.068 -14.218 2.392 1.00 0.00 C ATOM 239 CG ARG A 13 84.958 -13.683 3.521 1.00 0.00 C ATOM 240 CD ARG A 13 85.450 -14.841 4.376 1.00 0.00 C ATOM 241 NE ARG A 13 86.275 -15.748 3.587 1.00 0.00 N ATOM 242 CZ ARG A 13 86.749 -16.874 4.110 1.00 0.00 C ATOM 243 NH1 ARG A 13 86.481 -17.185 5.349 1.00 0.00 N ATOM 244 NH2 ARG A 13 87.486 -17.669 3.383 1.00 0.00 N ATOM 0 H ARG A 13 81.483 -14.815 2.826 1.00 0.00 H new ATOM 0 HA ARG A 13 83.065 -12.322 2.570 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.760 -15.239 2.615 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.632 -14.252 1.460 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.806 -13.141 3.103 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.399 -12.977 4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 13 86.025 -14.459 5.219 1.00 0.00 H new ATOM 0 HD3 ARG A 13 84.599 -15.382 4.790 1.00 0.00 H new ATOM 0 HE ARG A 13 86.492 -15.515 2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 13 85.907 -16.563 5.918 1.00 0.00 H new ATOM 0 HH12 ARG A 13 86.846 -18.050 5.748 1.00 0.00 H new ATOM 0 HH21 ARG A 13 87.697 -17.426 2.415 1.00 0.00 H new ATOM 0 HH22 ARG A 13 87.851 -18.534 3.783 1.00 0.00 H new ATOM 258 N ALA A 14 82.782 -12.132 0.135 1.00 0.00 N ATOM 259 CA ALA A 14 82.463 -11.931 -1.279 1.00 0.00 C ATOM 260 C ALA A 14 83.151 -12.983 -2.136 1.00 0.00 C ATOM 261 O ALA A 14 84.195 -13.513 -1.755 1.00 0.00 O ATOM 262 CB ALA A 14 82.893 -10.537 -1.725 1.00 0.00 C ATOM 0 H ALA A 14 83.260 -11.348 0.580 1.00 0.00 H new ATOM 0 HA ALA A 14 81.385 -12.027 -1.404 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.650 -10.401 -2.779 1.00 0.00 H new ATOM 0 HB2 ALA A 14 82.369 -9.787 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.968 -10.425 -1.583 1.00 0.00 H new ATOM 268 N LYS A 15 82.554 -13.303 -3.285 1.00 0.00 N ATOM 269 CA LYS A 15 83.128 -14.317 -4.163 1.00 0.00 C ATOM 270 C LYS A 15 83.882 -13.669 -5.318 1.00 0.00 C ATOM 271 O LYS A 15 84.981 -14.099 -5.673 1.00 0.00 O ATOM 272 CB LYS A 15 82.008 -15.194 -4.726 1.00 0.00 C ATOM 273 CG LYS A 15 81.063 -15.608 -3.596 1.00 0.00 C ATOM 274 CD LYS A 15 80.224 -16.807 -4.040 1.00 0.00 C ATOM 275 CE LYS A 15 79.276 -17.214 -2.909 1.00 0.00 C ATOM 276 NZ LYS A 15 78.537 -18.447 -3.300 1.00 0.00 N ATOM 0 H LYS A 15 81.689 -12.882 -3.623 1.00 0.00 H new ATOM 0 HA LYS A 15 83.825 -14.922 -3.583 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.457 -14.650 -5.493 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.430 -16.078 -5.203 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.636 -15.863 -2.705 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.412 -14.775 -3.329 1.00 0.00 H new ATOM 0 HD2 LYS A 15 79.653 -16.554 -4.934 1.00 0.00 H new ATOM 0 HD3 LYS A 15 80.874 -17.642 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 15 79.840 -17.390 -1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 15 78.574 -16.407 -2.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 77.893 -18.724 -2.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 77.987 -18.263 -4.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.214 -19.216 -3.478 1.00 0.00 H new ATOM 290 N LYS A 16 83.290 -12.629 -5.899 1.00 0.00 N ATOM 291 CA LYS A 16 83.920 -11.933 -7.013 1.00 0.00 C ATOM 292 C LYS A 16 83.566 -10.450 -6.992 1.00 0.00 C ATOM 293 O LYS A 16 82.494 -10.064 -6.527 1.00 0.00 O ATOM 294 CB LYS A 16 83.453 -12.544 -8.335 1.00 0.00 C ATOM 295 CG LYS A 16 84.379 -12.091 -9.467 1.00 0.00 C ATOM 296 CD LYS A 16 83.816 -12.552 -10.818 1.00 0.00 C ATOM 297 CE LYS A 16 84.043 -14.057 -10.993 1.00 0.00 C ATOM 298 NZ LYS A 16 83.697 -14.451 -12.385 1.00 0.00 N ATOM 0 H LYS A 16 82.384 -12.254 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 16 85.001 -12.039 -6.917 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.454 -13.632 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.428 -12.239 -8.546 1.00 0.00 H new ATOM 0 HG2 LYS A 16 84.478 -11.006 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 16 85.377 -12.503 -9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 16 82.751 -12.328 -10.873 1.00 0.00 H new ATOM 0 HD3 LYS A 16 84.299 -12.006 -11.628 1.00 0.00 H new ATOM 0 HE2 LYS A 16 85.083 -14.306 -10.781 1.00 0.00 H new ATOM 0 HE3 LYS A 16 83.431 -14.613 -10.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 83.851 -15.473 -12.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 82.699 -14.227 -12.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.299 -13.929 -13.053 1.00 0.00 H new ATOM 312 N TRP A 17 84.473 -9.624 -7.501 1.00 0.00 N ATOM 313 CA TRP A 17 84.244 -8.185 -7.540 1.00 0.00 C ATOM 314 C TRP A 17 82.911 -7.867 -8.204 1.00 0.00 C ATOM 315 O TRP A 17 82.570 -8.438 -9.239 1.00 0.00 O ATOM 316 CB TRP A 17 85.370 -7.498 -8.309 1.00 0.00 C ATOM 317 CG TRP A 17 84.996 -6.073 -8.559 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.049 -5.085 -7.640 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.537 -5.457 -9.799 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.641 -3.903 -8.229 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.318 -4.078 -9.562 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.293 -5.954 -11.091 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.872 -3.223 -10.575 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.845 -5.096 -12.110 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.636 -3.735 -11.852 1.00 0.00 C ATOM 0 H TRP A 17 85.367 -9.923 -7.890 1.00 0.00 H new ATOM 0 HA TRP A 17 84.222 -7.816 -6.515 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.298 -7.548 -7.740 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.547 -8.011 -9.254 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.360 -5.200 -6.612 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.585 -3.010 -7.740 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.451 -7.001 -11.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.711 -2.175 -10.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.661 -5.489 -13.099 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.292 -3.082 -12.641 1.00 0.00 H new ATOM 336 N SER A 18 82.161 -6.952 -7.599 1.00 0.00 N ATOM 337 CA SER A 18 80.867 -6.564 -8.144 1.00 0.00 C ATOM 338 C SER A 18 80.393 -5.261 -7.509 1.00 0.00 C ATOM 339 O SER A 18 80.875 -4.865 -6.448 1.00 0.00 O ATOM 340 CB SER A 18 79.836 -7.665 -7.890 1.00 0.00 C ATOM 341 OG SER A 18 78.885 -7.668 -8.945 1.00 0.00 O ATOM 0 H SER A 18 82.424 -6.470 -6.740 1.00 0.00 H new ATOM 0 HA SER A 18 80.975 -6.416 -9.218 1.00 0.00 H new ATOM 0 HB2 SER A 18 80.330 -8.635 -7.827 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.337 -7.499 -6.935 1.00 0.00 H new ATOM 0 HG SER A 18 78.223 -8.373 -8.787 1.00 0.00 H new ATOM 347 N GLU A 19 79.446 -4.600 -8.163 1.00 0.00 N ATOM 348 CA GLU A 19 78.924 -3.339 -7.655 1.00 0.00 C ATOM 349 C GLU A 19 78.563 -3.466 -6.179 1.00 0.00 C ATOM 350 O GLU A 19 78.772 -2.533 -5.397 1.00 0.00 O ATOM 351 CB GLU A 19 77.671 -2.942 -8.449 1.00 0.00 C ATOM 352 CG GLU A 19 77.167 -1.577 -7.965 1.00 0.00 C ATOM 353 CD GLU A 19 76.356 -1.738 -6.679 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.735 -2.776 -6.514 1.00 0.00 O ATOM 355 OE2 GLU A 19 76.383 -0.826 -5.870 1.00 0.00 O ATOM 0 H GLU A 19 79.027 -4.913 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 19 79.693 -2.574 -7.768 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.901 -2.900 -9.514 1.00 0.00 H new ATOM 0 HB3 GLU A 19 76.893 -3.695 -8.321 1.00 0.00 H new ATOM 0 HG2 GLU A 19 78.012 -0.911 -7.790 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.551 -1.114 -8.736 1.00 0.00 H new ATOM 362 N GLU A 20 78.031 -4.622 -5.800 1.00 0.00 N ATOM 363 CA GLU A 20 77.652 -4.851 -4.411 1.00 0.00 C ATOM 364 C GLU A 20 78.888 -4.926 -3.515 1.00 0.00 C ATOM 365 O GLU A 20 78.915 -4.349 -2.428 1.00 0.00 O ATOM 366 CB GLU A 20 76.859 -6.154 -4.303 1.00 0.00 C ATOM 367 CG GLU A 20 75.531 -6.005 -5.048 1.00 0.00 C ATOM 368 CD GLU A 20 74.613 -5.048 -4.295 1.00 0.00 C ATOM 369 OE1 GLU A 20 74.851 -4.835 -3.118 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.686 -4.542 -4.906 1.00 0.00 O ATOM 0 H GLU A 20 77.854 -5.407 -6.427 1.00 0.00 H new ATOM 0 HA GLU A 20 77.035 -4.016 -4.079 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.434 -6.978 -4.724 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.676 -6.395 -3.256 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.710 -5.632 -6.056 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.051 -6.978 -5.149 1.00 0.00 H new ATOM 377 N ILE A 21 79.905 -5.643 -3.978 1.00 0.00 N ATOM 378 CA ILE A 21 81.130 -5.787 -3.198 1.00 0.00 C ATOM 379 C ILE A 21 81.894 -4.476 -3.172 1.00 0.00 C ATOM 380 O ILE A 21 82.133 -3.913 -2.104 1.00 0.00 O ATOM 381 CB ILE A 21 82.010 -6.886 -3.805 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.140 -8.091 -4.172 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.080 -7.315 -2.799 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.219 -8.440 -3.005 1.00 0.00 C ATOM 0 H ILE A 21 79.908 -6.127 -4.876 1.00 0.00 H new ATOM 0 HA ILE A 21 80.864 -6.062 -2.177 1.00 0.00 H new ATOM 0 HB ILE A 21 82.497 -6.500 -4.700 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.548 -7.867 -5.060 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.771 -8.945 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.700 -8.096 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.703 -6.458 -2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.600 -7.697 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.602 -9.298 -3.272 1.00 0.00 H new ATOM 0 HD12 ILE A 21 80.819 -8.683 -2.128 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.577 -7.588 -2.781 1.00 0.00 H new ATOM 396 N GLU A 22 82.283 -3.996 -4.347 1.00 0.00 N ATOM 397 CA GLU A 22 83.034 -2.753 -4.442 1.00 0.00 C ATOM 398 C GLU A 22 82.480 -1.726 -3.464 1.00 0.00 C ATOM 399 O GLU A 22 83.232 -1.100 -2.718 1.00 0.00 O ATOM 400 CB GLU A 22 82.931 -2.200 -5.865 1.00 0.00 C ATOM 401 CG GLU A 22 83.833 -0.972 -6.008 1.00 0.00 C ATOM 402 CD GLU A 22 83.772 -0.441 -7.436 1.00 0.00 C ATOM 403 OE1 GLU A 22 83.073 -1.036 -8.240 1.00 0.00 O ATOM 404 OE2 GLU A 22 84.426 0.553 -7.706 1.00 0.00 O ATOM 0 H GLU A 22 82.092 -4.446 -5.242 1.00 0.00 H new ATOM 0 HA GLU A 22 84.077 -2.953 -4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.224 -2.964 -6.585 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.898 -1.932 -6.088 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.518 -0.197 -5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.860 -1.234 -5.752 1.00 0.00 H new ATOM 411 N ASN A 23 81.162 -1.568 -3.465 1.00 0.00 N ATOM 412 CA ASN A 23 80.520 -0.617 -2.561 1.00 0.00 C ATOM 413 C ASN A 23 80.780 -0.981 -1.101 1.00 0.00 C ATOM 414 O ASN A 23 81.175 -0.127 -0.303 1.00 0.00 O ATOM 415 CB ASN A 23 79.011 -0.614 -2.795 1.00 0.00 C ATOM 416 CG ASN A 23 78.312 0.159 -1.683 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.950 1.322 -1.855 1.00 0.00 O ATOM 418 ND2 ASN A 23 78.109 -0.435 -0.543 1.00 0.00 N ATOM 0 H ASN A 23 80.522 -2.079 -4.073 1.00 0.00 H new ATOM 0 HA ASN A 23 80.940 0.368 -2.765 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.785 -0.162 -3.761 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.638 -1.638 -2.828 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.646 0.064 0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.413 -1.400 -0.409 1.00 0.00 H new ATOM 425 N LEU A 24 80.560 -2.251 -0.753 1.00 0.00 N ATOM 426 CA LEU A 24 80.767 -2.697 0.616 1.00 0.00 C ATOM 427 C LEU A 24 82.193 -2.446 1.051 1.00 0.00 C ATOM 428 O LEU A 24 82.426 -2.035 2.183 1.00 0.00 O ATOM 429 CB LEU A 24 80.444 -4.186 0.732 1.00 0.00 C ATOM 430 CG LEU A 24 78.928 -4.385 0.671 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.622 -5.869 0.503 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.281 -3.880 1.972 1.00 0.00 C ATOM 0 H LEU A 24 80.242 -2.977 -1.395 1.00 0.00 H new ATOM 0 HA LEU A 24 80.102 -2.131 1.268 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.927 -4.738 -0.075 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.836 -4.582 1.669 1.00 0.00 H new ATOM 0 HG LEU A 24 78.526 -3.824 -0.173 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.543 -6.015 0.459 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.075 -6.232 -0.420 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.029 -6.422 1.349 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.202 -4.025 1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.683 -4.437 2.818 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.499 -2.820 2.099 1.00 0.00 H new ATOM 444 N TYR A 25 83.147 -2.665 0.155 1.00 0.00 N ATOM 445 CA TYR A 25 84.541 -2.420 0.478 1.00 0.00 C ATOM 446 C TYR A 25 84.740 -0.967 0.887 1.00 0.00 C ATOM 447 O TYR A 25 85.339 -0.688 1.922 1.00 0.00 O ATOM 448 CB TYR A 25 85.403 -2.725 -0.753 1.00 0.00 C ATOM 449 CG TYR A 25 86.770 -2.106 -0.581 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.724 -2.713 0.241 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.080 -0.913 -1.248 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.986 -2.132 0.397 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.342 -0.332 -1.093 1.00 0.00 C ATOM 454 CZ TYR A 25 89.296 -0.942 -0.270 1.00 0.00 C ATOM 455 OH TYR A 25 90.541 -0.369 -0.116 1.00 0.00 O ATOM 0 H TYR A 25 82.981 -3.008 -0.791 1.00 0.00 H new ATOM 0 HA TYR A 25 84.834 -3.063 1.308 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.495 -3.803 -0.887 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.925 -2.332 -1.650 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.486 -3.632 0.756 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.343 -0.442 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.722 -2.602 1.033 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.581 0.587 -1.608 1.00 0.00 H new ATOM 0 HH TYR A 25 90.591 0.452 -0.649 1.00 0.00 H new ATOM 465 N ARG A 26 84.236 -0.043 0.075 1.00 0.00 N ATOM 466 CA ARG A 26 84.383 1.377 0.377 1.00 0.00 C ATOM 467 C ARG A 26 83.681 1.702 1.693 1.00 0.00 C ATOM 468 O ARG A 26 84.237 2.389 2.548 1.00 0.00 O ATOM 469 CB ARG A 26 83.761 2.207 -0.747 1.00 0.00 C ATOM 470 CG ARG A 26 84.515 1.938 -2.051 1.00 0.00 C ATOM 471 CD ARG A 26 83.970 2.846 -3.154 1.00 0.00 C ATOM 472 NE ARG A 26 84.543 2.472 -4.442 1.00 0.00 N ATOM 473 CZ ARG A 26 84.452 3.278 -5.495 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.855 4.432 -5.384 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.964 2.916 -6.639 1.00 0.00 N ATOM 0 H ARG A 26 83.729 -0.247 -0.786 1.00 0.00 H new ATOM 0 HA ARG A 26 85.443 1.615 0.464 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.708 1.952 -0.863 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.806 3.268 -0.499 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.581 2.118 -1.911 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.404 0.892 -2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.883 2.769 -3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 26 84.208 3.886 -2.930 1.00 0.00 H new ATOM 0 HE ARG A 26 85.022 1.576 -4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.458 4.717 -4.489 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.786 5.050 -6.192 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.434 2.015 -6.725 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.894 3.534 -7.447 1.00 0.00 H new ATOM 489 N PHE A 27 82.458 1.193 1.857 1.00 0.00 N ATOM 490 CA PHE A 27 81.702 1.437 3.080 1.00 0.00 C ATOM 491 C PHE A 27 82.454 0.882 4.288 1.00 0.00 C ATOM 492 O PHE A 27 82.666 1.587 5.274 1.00 0.00 O ATOM 493 CB PHE A 27 80.325 0.773 2.975 1.00 0.00 C ATOM 494 CG PHE A 27 79.307 1.784 2.514 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.392 2.335 1.231 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.277 2.173 3.372 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.444 3.273 0.811 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.341 3.109 2.953 1.00 0.00 C ATOM 499 CZ PHE A 27 77.423 3.664 1.673 1.00 0.00 C ATOM 0 H PHE A 27 81.978 0.617 1.166 1.00 0.00 H new ATOM 0 HA PHE A 27 81.577 2.512 3.210 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.366 -0.062 2.275 1.00 0.00 H new ATOM 0 HB3 PHE A 27 80.033 0.364 3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.189 2.036 0.566 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.208 1.746 4.362 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.504 3.694 -0.182 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.546 3.410 3.619 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.695 4.395 1.353 1.00 0.00 H new ATOM 509 N GLN A 28 82.848 -0.382 4.203 1.00 0.00 N ATOM 510 CA GLN A 28 83.566 -1.023 5.297 1.00 0.00 C ATOM 511 C GLN A 28 84.816 -0.226 5.641 1.00 0.00 C ATOM 512 O GLN A 28 85.121 -0.018 6.813 1.00 0.00 O ATOM 513 CB GLN A 28 83.969 -2.442 4.891 1.00 0.00 C ATOM 514 CG GLN A 28 82.739 -3.349 4.883 1.00 0.00 C ATOM 515 CD GLN A 28 83.059 -4.655 4.163 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.211 -5.088 4.137 1.00 0.00 O ATOM 517 NE2 GLN A 28 82.099 -5.310 3.570 1.00 0.00 N ATOM 0 H GLN A 28 82.684 -0.980 3.393 1.00 0.00 H new ATOM 0 HA GLN A 28 82.913 -1.063 6.169 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.429 -2.430 3.903 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.714 -2.831 5.585 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.423 -3.556 5.905 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.909 -2.845 4.388 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.145 -4.949 3.593 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.302 -6.183 3.083 1.00 0.00 H new ATOM 526 N GLN A 29 85.518 0.246 4.617 1.00 0.00 N ATOM 527 CA GLN A 29 86.720 1.044 4.839 1.00 0.00 C ATOM 528 C GLN A 29 86.390 2.313 5.619 1.00 0.00 C ATOM 529 O GLN A 29 87.126 2.701 6.525 1.00 0.00 O ATOM 530 CB GLN A 29 87.349 1.415 3.494 1.00 0.00 C ATOM 531 CG GLN A 29 88.026 0.186 2.884 1.00 0.00 C ATOM 532 CD GLN A 29 89.333 -0.098 3.615 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.855 0.771 4.312 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.898 -1.268 3.492 1.00 0.00 N ATOM 0 H GLN A 29 85.281 0.093 3.637 1.00 0.00 H new ATOM 0 HA GLN A 29 87.426 0.452 5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.584 1.794 2.816 1.00 0.00 H new ATOM 0 HB3 GLN A 29 88.078 2.213 3.631 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.364 -0.677 2.954 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.220 0.354 1.825 1.00 0.00 H new ATOM 0 HE21 GLN A 29 89.463 -1.986 2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.775 -1.464 3.975 1.00 0.00 H new ATOM 543 N ALA A 30 85.281 2.949 5.268 1.00 0.00 N ATOM 544 CA ALA A 30 84.858 4.166 5.950 1.00 0.00 C ATOM 545 C ALA A 30 84.338 3.841 7.347 1.00 0.00 C ATOM 546 O ALA A 30 84.242 4.717 8.205 1.00 0.00 O ATOM 547 CB ALA A 30 83.768 4.869 5.145 1.00 0.00 C ATOM 0 H ALA A 30 84.660 2.645 4.518 1.00 0.00 H new ATOM 0 HA ALA A 30 85.720 4.828 6.040 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.460 5.777 5.664 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.154 5.128 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.911 4.205 5.036 1.00 0.00 H new ATOM 553 N GLY A 31 83.997 2.575 7.568 1.00 0.00 N ATOM 554 CA GLY A 31 83.478 2.145 8.859 1.00 0.00 C ATOM 555 C GLY A 31 81.973 1.896 8.789 1.00 0.00 C ATOM 556 O GLY A 31 81.347 1.525 9.779 1.00 0.00 O ATOM 0 H GLY A 31 84.071 1.833 6.872 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.987 1.234 9.174 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.690 2.905 9.611 1.00 0.00 H new ATOM 560 N TYR A 32 81.399 2.098 7.609 1.00 0.00 N ATOM 561 CA TYR A 32 79.966 1.887 7.417 1.00 0.00 C ATOM 562 C TYR A 32 79.699 0.502 6.861 1.00 0.00 C ATOM 563 O TYR A 32 80.518 -0.060 6.140 1.00 0.00 O ATOM 564 CB TYR A 32 79.416 2.950 6.465 1.00 0.00 C ATOM 565 CG TYR A 32 79.771 4.336 6.960 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.915 4.599 8.337 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.965 5.369 6.034 1.00 0.00 C ATOM 568 CE1 TYR A 32 80.247 5.869 8.773 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.301 6.651 6.482 1.00 0.00 C ATOM 570 CZ TYR A 32 80.443 6.898 7.854 1.00 0.00 C ATOM 571 OH TYR A 32 80.778 8.158 8.300 1.00 0.00 O ATOM 0 H TYR A 32 81.898 2.406 6.775 1.00 0.00 H new ATOM 0 HA TYR A 32 79.466 1.970 8.382 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.824 2.798 5.466 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.333 2.851 6.386 1.00 0.00 H new ATOM 0 HD1 TYR A 32 79.766 3.806 9.055 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.855 5.176 4.977 1.00 0.00 H new ATOM 0 HE1 TYR A 32 80.355 6.064 9.830 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.451 7.450 5.771 1.00 0.00 H new ATOM 0 HH TYR A 32 81.567 8.478 7.815 1.00 0.00 H new ATOM 581 N ARG A 33 78.548 -0.049 7.224 1.00 0.00 N ATOM 582 CA ARG A 33 78.172 -1.380 6.762 1.00 0.00 C ATOM 583 C ARG A 33 77.462 -1.304 5.413 1.00 0.00 C ATOM 584 O ARG A 33 77.669 -2.148 4.543 1.00 0.00 O ATOM 585 CB ARG A 33 77.251 -2.055 7.781 1.00 0.00 C ATOM 586 CG ARG A 33 76.291 -1.022 8.376 1.00 0.00 C ATOM 587 CD ARG A 33 76.802 -0.584 9.753 1.00 0.00 C ATOM 588 NE ARG A 33 76.937 -1.739 10.629 1.00 0.00 N ATOM 589 CZ ARG A 33 77.582 -1.650 11.786 1.00 0.00 C ATOM 590 NH1 ARG A 33 78.108 -0.515 12.155 1.00 0.00 N ATOM 591 NH2 ARG A 33 77.689 -2.699 12.555 1.00 0.00 N ATOM 0 H ARG A 33 77.863 0.400 7.832 1.00 0.00 H new ATOM 0 HA ARG A 33 79.083 -1.967 6.651 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.687 -2.855 7.301 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.843 -2.513 8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.212 -0.159 7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.292 -1.448 8.466 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.764 -0.082 9.649 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.112 0.137 10.193 1.00 0.00 H new ATOM 0 HE ARG A 33 76.529 -2.631 10.349 1.00 0.00 H new ATOM 0 HH11 ARG A 33 78.024 0.305 11.555 1.00 0.00 H new ATOM 0 HH12 ARG A 33 78.603 -0.448 13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 33 77.277 -3.587 12.267 1.00 0.00 H new ATOM 0 HH22 ARG A 33 78.184 -2.631 13.444 1.00 0.00 H new ATOM 605 N ASP A 34 76.620 -0.290 5.251 1.00 0.00 N ATOM 606 CA ASP A 34 75.874 -0.109 4.011 1.00 0.00 C ATOM 607 C ASP A 34 75.255 1.278 3.954 1.00 0.00 C ATOM 608 O ASP A 34 75.322 2.035 4.926 1.00 0.00 O ATOM 609 CB ASP A 34 74.787 -1.173 3.894 1.00 0.00 C ATOM 610 CG ASP A 34 74.131 -1.100 2.520 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.794 -0.677 1.588 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.970 -1.463 2.422 1.00 0.00 O ATOM 0 H ASP A 34 76.437 0.419 5.961 1.00 0.00 H new ATOM 0 HA ASP A 34 76.565 -0.212 3.175 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.217 -2.163 4.048 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.038 -1.026 4.672 1.00 0.00 H new ATOM 617 N GLU A 35 74.658 1.609 2.809 1.00 0.00 N ATOM 618 CA GLU A 35 74.041 2.922 2.626 1.00 0.00 C ATOM 619 C GLU A 35 73.230 3.315 3.846 1.00 0.00 C ATOM 620 O GLU A 35 73.100 4.500 4.157 1.00 0.00 O ATOM 621 CB GLU A 35 73.133 2.904 1.399 1.00 0.00 C ATOM 622 CG GLU A 35 72.039 1.856 1.589 1.00 0.00 C ATOM 623 CD GLU A 35 71.246 1.691 0.297 1.00 0.00 C ATOM 624 OE1 GLU A 35 70.569 2.631 -0.084 1.00 0.00 O ATOM 625 OE2 GLU A 35 71.331 0.626 -0.292 1.00 0.00 O ATOM 0 H GLU A 35 74.589 0.991 2.000 1.00 0.00 H new ATOM 0 HA GLU A 35 74.837 3.654 2.485 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.687 3.887 1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 35 73.716 2.679 0.506 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.483 0.903 1.877 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.373 2.156 2.398 1.00 0.00 H new ATOM 632 N ILE A 36 72.678 2.323 4.531 1.00 0.00 N ATOM 633 CA ILE A 36 71.860 2.594 5.705 1.00 0.00 C ATOM 634 C ILE A 36 72.643 3.377 6.748 1.00 0.00 C ATOM 635 O ILE A 36 72.159 4.380 7.272 1.00 0.00 O ATOM 636 CB ILE A 36 71.399 1.270 6.323 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.414 0.577 5.379 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.709 1.540 7.663 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.193 -0.867 5.834 1.00 0.00 C ATOM 0 H ILE A 36 72.780 1.335 4.298 1.00 0.00 H new ATOM 0 HA ILE A 36 71.001 3.187 5.392 1.00 0.00 H new ATOM 0 HB ILE A 36 72.266 0.628 6.482 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.466 1.114 5.369 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.800 0.592 4.360 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.382 0.597 8.100 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.408 2.031 8.340 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.845 2.185 7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.491 -1.358 5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.143 -1.402 5.821 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.788 -0.872 6.846 1.00 0.00 H new ATOM 651 N GLU A 37 73.848 2.919 7.054 1.00 0.00 N ATOM 652 CA GLU A 37 74.671 3.591 8.047 1.00 0.00 C ATOM 653 C GLU A 37 75.148 4.942 7.548 1.00 0.00 C ATOM 654 O GLU A 37 75.143 5.928 8.287 1.00 0.00 O ATOM 655 CB GLU A 37 75.883 2.722 8.388 1.00 0.00 C ATOM 656 CG GLU A 37 76.733 3.395 9.473 1.00 0.00 C ATOM 657 CD GLU A 37 75.925 3.517 10.760 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.959 2.783 10.903 1.00 0.00 O ATOM 659 OE2 GLU A 37 76.279 4.343 11.584 1.00 0.00 O ATOM 0 H GLU A 37 74.274 2.093 6.633 1.00 0.00 H new ATOM 0 HA GLU A 37 74.061 3.748 8.937 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.551 1.742 8.732 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.485 2.559 7.494 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.636 2.812 9.654 1.00 0.00 H new ATOM 0 HG3 GLU A 37 77.052 4.382 9.138 1.00 0.00 H new ATOM 666 N TYR A 38 75.594 4.977 6.302 1.00 0.00 N ATOM 667 CA TYR A 38 76.107 6.210 5.742 1.00 0.00 C ATOM 668 C TYR A 38 75.032 7.307 5.762 1.00 0.00 C ATOM 669 O TYR A 38 75.269 8.434 6.200 1.00 0.00 O ATOM 670 CB TYR A 38 76.523 6.006 4.286 1.00 0.00 C ATOM 671 CG TYR A 38 76.921 7.329 3.663 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.340 8.416 4.459 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.930 7.460 2.269 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.723 9.601 3.871 1.00 0.00 C ATOM 675 CE2 TYR A 38 77.311 8.671 1.686 1.00 0.00 C ATOM 676 CZ TYR A 38 77.700 9.743 2.490 1.00 0.00 C ATOM 677 OH TYR A 38 78.067 10.941 1.916 1.00 0.00 O ATOM 0 H TYR A 38 75.610 4.177 5.670 1.00 0.00 H new ATOM 0 HA TYR A 38 76.963 6.507 6.348 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.357 5.306 4.233 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.700 5.564 3.724 1.00 0.00 H new ATOM 0 HD1 TYR A 38 77.360 8.318 5.534 1.00 0.00 H new ATOM 0 HD2 TYR A 38 76.643 6.626 1.646 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.044 10.427 4.489 1.00 0.00 H new ATOM 0 HE2 TYR A 38 77.304 8.778 0.611 1.00 0.00 H new ATOM 0 HH TYR A 38 77.996 10.872 0.941 1.00 0.00 H new ATOM 687 N LYS A 39 73.844 6.978 5.266 1.00 0.00 N ATOM 688 CA LYS A 39 72.758 7.942 5.212 1.00 0.00 C ATOM 689 C LYS A 39 72.409 8.433 6.606 1.00 0.00 C ATOM 690 O LYS A 39 72.118 9.605 6.796 1.00 0.00 O ATOM 691 CB LYS A 39 71.524 7.294 4.579 1.00 0.00 C ATOM 692 CG LYS A 39 71.785 7.039 3.090 1.00 0.00 C ATOM 693 CD LYS A 39 70.687 6.134 2.515 1.00 0.00 C ATOM 694 CE LYS A 39 69.369 6.906 2.428 1.00 0.00 C ATOM 695 NZ LYS A 39 68.382 6.110 1.649 1.00 0.00 N ATOM 0 H LYS A 39 73.612 6.055 4.898 1.00 0.00 H new ATOM 0 HA LYS A 39 73.079 8.792 4.609 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.294 6.356 5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.657 7.943 4.701 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.809 7.985 2.549 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.760 6.571 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.977 5.779 1.526 1.00 0.00 H new ATOM 0 HD3 LYS A 39 70.562 5.254 3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 39 68.984 7.105 3.428 1.00 0.00 H new ATOM 0 HE3 LYS A 39 69.531 7.872 1.951 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.071 6.657 0.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.824 5.223 1.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 67.561 5.892 2.249 1.00 0.00 H new ATOM 709 N GLN A 40 72.439 7.529 7.575 1.00 0.00 N ATOM 710 CA GLN A 40 72.129 7.889 8.952 1.00 0.00 C ATOM 711 C GLN A 40 73.162 8.877 9.491 1.00 0.00 C ATOM 712 O GLN A 40 72.823 9.809 10.218 1.00 0.00 O ATOM 713 CB GLN A 40 72.118 6.635 9.830 1.00 0.00 C ATOM 714 CG GLN A 40 71.629 6.996 11.235 1.00 0.00 C ATOM 715 CD GLN A 40 71.663 5.763 12.132 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.414 4.649 11.669 1.00 0.00 O ATOM 717 NE2 GLN A 40 71.963 5.896 13.396 1.00 0.00 N ATOM 0 H GLN A 40 72.673 6.546 7.435 1.00 0.00 H new ATOM 0 HA GLN A 40 71.145 8.357 8.973 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.468 5.877 9.391 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.119 6.206 9.881 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.257 7.780 11.657 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.615 7.392 11.185 1.00 0.00 H new ATOM 0 HE21 GLN A 40 72.169 6.820 13.777 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.992 5.076 14.002 1.00 0.00 H new ATOM 726 N VAL A 41 74.425 8.661 9.137 1.00 0.00 N ATOM 727 CA VAL A 41 75.499 9.525 9.613 1.00 0.00 C ATOM 728 C VAL A 41 75.262 10.968 9.186 1.00 0.00 C ATOM 729 O VAL A 41 75.410 11.892 9.985 1.00 0.00 O ATOM 730 CB VAL A 41 76.841 9.043 9.054 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.928 10.070 9.376 1.00 0.00 C ATOM 732 CG2 VAL A 41 77.207 7.699 9.686 1.00 0.00 C ATOM 0 H VAL A 41 74.728 7.902 8.527 1.00 0.00 H new ATOM 0 HA VAL A 41 75.517 9.480 10.702 1.00 0.00 H new ATOM 0 HB VAL A 41 76.760 8.926 7.973 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.883 9.726 8.978 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.670 11.027 8.923 1.00 0.00 H new ATOM 0 HG13 VAL A 41 78.007 10.189 10.457 1.00 0.00 H new ATOM 0 HG21 VAL A 41 78.162 7.357 9.287 1.00 0.00 H new ATOM 0 HG22 VAL A 41 77.286 7.815 10.767 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.434 6.966 9.455 1.00 0.00 H new ATOM 742 N LYS A 42 74.893 11.153 7.925 1.00 0.00 N ATOM 743 CA LYS A 42 74.632 12.490 7.404 1.00 0.00 C ATOM 744 C LYS A 42 73.136 12.755 7.303 1.00 0.00 C ATOM 745 O LYS A 42 72.715 13.832 6.880 1.00 0.00 O ATOM 746 CB LYS A 42 75.282 12.644 6.030 1.00 0.00 C ATOM 747 CG LYS A 42 76.793 12.428 6.141 1.00 0.00 C ATOM 748 CD LYS A 42 77.413 13.526 7.014 1.00 0.00 C ATOM 749 CE LYS A 42 78.894 13.681 6.670 1.00 0.00 C ATOM 750 NZ LYS A 42 79.620 12.432 7.025 1.00 0.00 N ATOM 0 H LYS A 42 74.768 10.401 7.248 1.00 0.00 H new ATOM 0 HA LYS A 42 75.060 13.217 8.094 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.853 11.924 5.333 1.00 0.00 H new ATOM 0 HB3 LYS A 42 75.076 13.637 5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.999 11.448 6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.245 12.441 5.149 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.892 14.470 6.854 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.299 13.274 8.068 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.011 13.893 5.607 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.317 14.527 7.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.601 12.492 6.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.620 12.312 8.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.148 11.618 6.582 1.00 0.00 H new ATOM 764 N GLN A 43 72.339 11.765 7.684 1.00 0.00 N ATOM 765 CA GLN A 43 70.889 11.902 7.622 1.00 0.00 C ATOM 766 C GLN A 43 70.459 12.477 6.274 1.00 0.00 C ATOM 767 O GLN A 43 69.969 13.604 6.200 1.00 0.00 O ATOM 768 CB GLN A 43 70.406 12.816 8.743 1.00 0.00 C ATOM 769 CG GLN A 43 68.892 12.676 8.900 1.00 0.00 C ATOM 770 CD GLN A 43 68.403 13.559 10.042 1.00 0.00 C ATOM 771 OE1 GLN A 43 69.148 13.822 10.985 1.00 0.00 O ATOM 772 NE2 GLN A 43 67.189 14.035 10.012 1.00 0.00 N ATOM 0 H GLN A 43 72.668 10.866 8.036 1.00 0.00 H new ATOM 0 HA GLN A 43 70.445 10.914 7.740 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.904 12.558 9.677 1.00 0.00 H new ATOM 0 HB3 GLN A 43 70.665 13.851 8.519 1.00 0.00 H new ATOM 0 HG2 GLN A 43 68.394 12.958 7.972 1.00 0.00 H new ATOM 0 HG3 GLN A 43 68.633 11.636 9.097 1.00 0.00 H new ATOM 0 HE21 GLN A 43 66.574 13.815 9.229 1.00 0.00 H new ATOM 0 HE22 GLN A 43 66.855 14.627 10.772 1.00 0.00 H new ATOM 781 N VAL A 44 70.648 11.698 5.213 1.00 0.00 N ATOM 782 CA VAL A 44 70.280 12.137 3.867 1.00 0.00 C ATOM 783 C VAL A 44 69.237 11.201 3.268 1.00 0.00 C ATOM 784 O VAL A 44 68.598 10.431 3.985 1.00 0.00 O ATOM 785 CB VAL A 44 71.517 12.168 2.970 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.547 13.139 3.552 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.127 10.769 2.892 1.00 0.00 C ATOM 0 H VAL A 44 71.052 10.763 5.257 1.00 0.00 H new ATOM 0 HA VAL A 44 69.858 13.140 3.934 1.00 0.00 H new ATOM 0 HB VAL A 44 71.230 12.497 1.971 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.429 13.161 2.912 1.00 0.00 H new ATOM 0 HG12 VAL A 44 72.114 14.138 3.608 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.832 12.811 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.009 10.792 2.252 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.412 10.440 3.891 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.395 10.076 2.477 1.00 0.00 H new ATOM 797 N ALA A 45 69.069 11.279 1.951 1.00 0.00 N ATOM 798 CA ALA A 45 68.100 10.434 1.261 1.00 0.00 C ATOM 799 C ALA A 45 68.780 9.613 0.169 1.00 0.00 C ATOM 800 O ALA A 45 68.387 8.478 -0.101 1.00 0.00 O ATOM 801 CB ALA A 45 67.005 11.301 0.639 1.00 0.00 C ATOM 0 H ALA A 45 69.587 11.914 1.344 1.00 0.00 H new ATOM 0 HA ALA A 45 67.659 9.753 1.989 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.285 10.664 0.125 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.498 11.864 1.422 1.00 0.00 H new ATOM 0 HB3 ALA A 45 67.451 11.994 -0.075 1.00 0.00 H new ATOM 807 N MET A 46 69.797 10.196 -0.455 1.00 0.00 N ATOM 808 CA MET A 46 70.524 9.515 -1.520 1.00 0.00 C ATOM 809 C MET A 46 72.029 9.681 -1.341 1.00 0.00 C ATOM 810 O MET A 46 72.484 10.580 -0.635 1.00 0.00 O ATOM 811 CB MET A 46 70.105 10.080 -2.879 1.00 0.00 C ATOM 812 CG MET A 46 68.937 9.265 -3.438 1.00 0.00 C ATOM 813 SD MET A 46 69.534 7.635 -3.955 1.00 0.00 S ATOM 814 CE MET A 46 67.935 6.955 -4.455 1.00 0.00 C ATOM 0 H MET A 46 70.136 11.134 -0.243 1.00 0.00 H new ATOM 0 HA MET A 46 70.283 8.453 -1.475 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.815 11.126 -2.775 1.00 0.00 H new ATOM 0 HB3 MET A 46 70.946 10.050 -3.571 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.160 9.157 -2.682 1.00 0.00 H new ATOM 0 HG3 MET A 46 68.488 9.785 -4.284 1.00 0.00 H new ATOM 0 HE1 MET A 46 68.070 5.935 -4.815 1.00 0.00 H new ATOM 0 HE2 MET A 46 67.258 6.952 -3.601 1.00 0.00 H new ATOM 0 HE3 MET A 46 67.512 7.568 -5.251 1.00 0.00 H new ATOM 824 N VAL A 47 72.794 8.806 -1.985 1.00 0.00 N ATOM 825 CA VAL A 47 74.248 8.857 -1.894 1.00 0.00 C ATOM 826 C VAL A 47 74.842 9.437 -3.174 1.00 0.00 C ATOM 827 O VAL A 47 74.350 9.173 -4.270 1.00 0.00 O ATOM 828 CB VAL A 47 74.814 7.455 -1.657 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.341 7.523 -1.606 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.280 6.912 -0.332 1.00 0.00 C ATOM 0 H VAL A 47 72.433 8.055 -2.574 1.00 0.00 H new ATOM 0 HA VAL A 47 74.516 9.499 -1.055 1.00 0.00 H new ATOM 0 HB VAL A 47 74.510 6.795 -2.470 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.744 6.525 -1.437 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.720 7.912 -2.551 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.649 8.181 -0.793 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.681 5.913 -0.160 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.586 7.571 0.481 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.192 6.864 -0.371 1.00 0.00 H new ATOM 840 N ASP A 48 75.894 10.237 -3.027 1.00 0.00 N ATOM 841 CA ASP A 48 76.546 10.853 -4.176 1.00 0.00 C ATOM 842 C ASP A 48 77.375 9.816 -4.933 1.00 0.00 C ATOM 843 O ASP A 48 78.308 9.231 -4.386 1.00 0.00 O ATOM 844 CB ASP A 48 77.457 11.990 -3.713 1.00 0.00 C ATOM 845 CG ASP A 48 78.005 12.741 -4.920 1.00 0.00 C ATOM 846 OD1 ASP A 48 77.891 12.220 -6.019 1.00 0.00 O ATOM 847 OD2 ASP A 48 78.524 13.827 -4.730 1.00 0.00 O ATOM 0 H ASP A 48 76.311 10.473 -2.127 1.00 0.00 H new ATOM 0 HA ASP A 48 75.777 11.251 -4.839 1.00 0.00 H new ATOM 0 HB2 ASP A 48 76.902 12.673 -3.070 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.279 11.590 -3.119 1.00 0.00 H new ATOM 852 N ARG A 49 77.017 9.587 -6.193 1.00 0.00 N ATOM 853 CA ARG A 49 77.727 8.607 -7.010 1.00 0.00 C ATOM 854 C ARG A 49 77.952 9.153 -8.413 1.00 0.00 C ATOM 855 O ARG A 49 77.433 10.215 -8.767 1.00 0.00 O ATOM 856 CB ARG A 49 76.922 7.310 -7.093 1.00 0.00 C ATOM 857 CG ARG A 49 76.416 6.935 -5.699 1.00 0.00 C ATOM 858 CD ARG A 49 75.564 5.666 -5.777 1.00 0.00 C ATOM 859 NE ARG A 49 76.396 4.486 -5.595 1.00 0.00 N ATOM 860 CZ ARG A 49 76.736 4.069 -4.382 1.00 0.00 C ATOM 861 NH1 ARG A 49 76.326 4.723 -3.329 1.00 0.00 N ATOM 862 NH2 ARG A 49 77.478 3.005 -4.241 1.00 0.00 N ATOM 0 H ARG A 49 76.248 10.061 -6.667 1.00 0.00 H new ATOM 0 HA ARG A 49 78.692 8.405 -6.545 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.081 7.434 -7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.543 6.509 -7.494 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.260 6.776 -5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.828 7.753 -5.284 1.00 0.00 H new ATOM 0 HD2 ARG A 49 74.788 5.693 -5.012 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.059 5.618 -6.742 1.00 0.00 H new ATOM 0 HE ARG A 49 76.723 3.971 -6.413 1.00 0.00 H new ATOM 0 HH11 ARG A 49 75.745 5.554 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 49 76.587 4.403 -2.396 1.00 0.00 H new ATOM 0 HH21 ARG A 49 77.797 2.493 -5.064 1.00 0.00 H new ATOM 0 HH22 ARG A 49 77.739 2.685 -3.308 1.00 0.00 H new ATOM 876 N TRP A 50 78.724 8.418 -9.211 1.00 0.00 N ATOM 877 CA TRP A 50 79.002 8.850 -10.573 1.00 0.00 C ATOM 878 C TRP A 50 78.138 8.084 -11.580 1.00 0.00 C ATOM 879 O TRP A 50 77.893 6.899 -11.417 1.00 0.00 O ATOM 880 CB TRP A 50 80.474 8.627 -10.908 1.00 0.00 C ATOM 881 CG TRP A 50 81.312 9.461 -9.999 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.625 9.143 -8.723 1.00 0.00 C ATOM 883 CD2 TRP A 50 81.960 10.737 -10.273 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.415 10.147 -8.194 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.652 11.149 -9.111 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.011 11.570 -11.405 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.369 12.343 -9.072 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.734 12.775 -11.369 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.412 13.160 -10.204 1.00 0.00 C ATOM 0 H TRP A 50 79.160 7.536 -8.942 1.00 0.00 H new ATOM 0 HA TRP A 50 78.766 9.912 -10.639 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.730 7.574 -10.795 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.668 8.892 -11.947 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.310 8.251 -8.202 1.00 0.00 H new ATOM 0 HE1 TRP A 50 82.778 10.146 -7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.492 11.282 -12.307 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 83.889 12.635 -8.171 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 82.767 13.408 -12.244 1.00 0.00 H new ATOM 0 HH2 TRP A 50 83.966 14.087 -10.182 1.00 0.00 H new ATOM 900 N PRO A 51 77.688 8.730 -12.618 1.00 0.00 N ATOM 901 CA PRO A 51 76.839 8.081 -13.661 1.00 0.00 C ATOM 902 C PRO A 51 77.600 7.019 -14.453 1.00 0.00 C ATOM 903 O PRO A 51 77.003 6.090 -14.998 1.00 0.00 O ATOM 904 CB PRO A 51 76.432 9.248 -14.566 1.00 0.00 C ATOM 905 CG PRO A 51 77.480 10.287 -14.361 1.00 0.00 C ATOM 906 CD PRO A 51 77.942 10.142 -12.926 1.00 0.00 C ATOM 0 HA PRO A 51 75.992 7.551 -13.226 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.384 8.938 -15.610 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.445 9.627 -14.300 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.310 10.145 -15.054 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.080 11.285 -14.543 1.00 0.00 H new ATOM 0 HD2 PRO A 51 78.998 10.391 -12.818 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.389 10.803 -12.259 1.00 0.00 H new ATOM 914 N GLU A 52 78.916 7.183 -14.534 1.00 0.00 N ATOM 915 CA GLU A 52 79.734 6.246 -15.298 1.00 0.00 C ATOM 916 C GLU A 52 79.502 4.816 -14.833 1.00 0.00 C ATOM 917 O GLU A 52 79.182 3.942 -15.640 1.00 0.00 O ATOM 918 CB GLU A 52 81.215 6.594 -15.112 1.00 0.00 C ATOM 919 CG GLU A 52 82.072 5.659 -15.968 1.00 0.00 C ATOM 920 CD GLU A 52 83.534 6.094 -15.913 1.00 0.00 C ATOM 921 OE1 GLU A 52 83.834 7.160 -16.424 1.00 0.00 O ATOM 922 OE2 GLU A 52 84.331 5.354 -15.360 1.00 0.00 O ATOM 0 H GLU A 52 79.433 7.942 -14.089 1.00 0.00 H new ATOM 0 HA GLU A 52 79.454 6.324 -16.348 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.394 7.631 -15.397 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.492 6.499 -14.062 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.975 4.634 -15.610 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.719 5.671 -16.999 1.00 0.00 H new ATOM 929 N THR A 53 79.649 4.583 -13.534 1.00 0.00 N ATOM 930 CA THR A 53 79.447 3.247 -12.982 1.00 0.00 C ATOM 931 C THR A 53 78.421 3.272 -11.857 1.00 0.00 C ATOM 932 O THR A 53 77.680 2.308 -11.660 1.00 0.00 O ATOM 933 CB THR A 53 80.774 2.713 -12.444 1.00 0.00 C ATOM 934 OG1 THR A 53 81.256 3.604 -11.448 1.00 0.00 O ATOM 935 CG2 THR A 53 81.799 2.610 -13.577 1.00 0.00 C ATOM 0 H THR A 53 79.905 5.293 -12.848 1.00 0.00 H new ATOM 0 HA THR A 53 79.076 2.598 -13.776 1.00 0.00 H new ATOM 0 HB THR A 53 80.621 1.721 -12.018 1.00 0.00 H new ATOM 0 HG1 THR A 53 82.005 3.188 -10.972 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.741 2.228 -13.182 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.426 1.932 -14.345 1.00 0.00 H new ATOM 0 HG23 THR A 53 81.961 3.596 -14.012 1.00 0.00 H new ATOM 943 N GLY A 54 78.375 4.380 -11.125 1.00 0.00 N ATOM 944 CA GLY A 54 77.429 4.503 -10.018 1.00 0.00 C ATOM 945 C GLY A 54 78.092 4.178 -8.688 1.00 0.00 C ATOM 946 O GLY A 54 77.426 3.780 -7.741 1.00 0.00 O ATOM 0 H GLY A 54 78.971 5.195 -11.273 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.029 5.516 -9.989 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.586 3.832 -10.181 1.00 0.00 H new ATOM 950 N TYR A 55 79.408 4.354 -8.627 1.00 0.00 N ATOM 951 CA TYR A 55 80.152 4.088 -7.399 1.00 0.00 C ATOM 952 C TYR A 55 80.132 5.300 -6.489 1.00 0.00 C ATOM 953 O TYR A 55 79.822 6.407 -6.927 1.00 0.00 O ATOM 954 CB TYR A 55 81.596 3.704 -7.726 1.00 0.00 C ATOM 955 CG TYR A 55 81.623 2.446 -8.570 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.738 1.386 -8.313 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.541 2.340 -9.622 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.768 0.244 -9.098 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.567 1.184 -10.412 1.00 0.00 C ATOM 960 CZ TYR A 55 81.677 0.137 -10.149 1.00 0.00 C ATOM 961 OH TYR A 55 81.698 -1.002 -10.922 1.00 0.00 O ATOM 0 H TYR A 55 79.979 4.678 -9.408 1.00 0.00 H new ATOM 0 HA TYR A 55 79.673 3.257 -6.882 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.085 4.519 -8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.156 3.545 -6.804 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.031 1.461 -7.500 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.228 3.149 -9.824 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.084 -0.567 -8.894 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.274 1.101 -11.224 1.00 0.00 H new ATOM 0 HH TYR A 55 82.079 -1.742 -10.404 1.00 0.00 H new ATOM 971 N VAL A 56 80.437 5.071 -5.213 1.00 0.00 N ATOM 972 CA VAL A 56 80.422 6.146 -4.232 1.00 0.00 C ATOM 973 C VAL A 56 81.469 7.197 -4.577 1.00 0.00 C ATOM 974 O VAL A 56 82.648 6.884 -4.741 1.00 0.00 O ATOM 975 CB VAL A 56 80.711 5.585 -2.836 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.565 6.693 -1.793 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.730 4.455 -2.518 1.00 0.00 C ATOM 0 H VAL A 56 80.695 4.158 -4.840 1.00 0.00 H new ATOM 0 HA VAL A 56 79.435 6.608 -4.244 1.00 0.00 H new ATOM 0 HB VAL A 56 81.729 5.197 -2.813 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.771 6.289 -0.802 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.270 7.495 -2.012 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.549 7.086 -1.820 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.940 4.060 -1.524 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.710 4.839 -2.548 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.840 3.660 -3.255 1.00 0.00 H new ATOM 987 N LYS A 57 81.028 8.447 -4.684 1.00 0.00 N ATOM 988 CA LYS A 57 81.936 9.543 -5.000 1.00 0.00 C ATOM 989 C LYS A 57 82.727 9.960 -3.765 1.00 0.00 C ATOM 990 O LYS A 57 83.954 10.048 -3.801 1.00 0.00 O ATOM 991 CB LYS A 57 81.147 10.736 -5.544 1.00 0.00 C ATOM 992 CG LYS A 57 82.069 11.954 -5.656 1.00 0.00 C ATOM 993 CD LYS A 57 81.365 13.058 -6.439 1.00 0.00 C ATOM 994 CE LYS A 57 82.181 14.351 -6.346 1.00 0.00 C ATOM 995 NZ LYS A 57 81.615 15.362 -7.280 1.00 0.00 N ATOM 0 H LYS A 57 80.055 8.724 -4.557 1.00 0.00 H new ATOM 0 HA LYS A 57 82.638 9.202 -5.761 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.728 10.493 -6.521 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.309 10.961 -4.885 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.337 12.313 -4.662 1.00 0.00 H new ATOM 0 HG3 LYS A 57 82.997 11.676 -6.155 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.250 12.762 -7.482 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.363 13.218 -6.041 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.163 14.733 -5.325 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.224 14.154 -6.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.168 16.240 -7.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.654 14.996 -8.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.626 15.557 -7.023 1.00 0.00 H new ATOM 1009 N LYS A 58 82.013 10.209 -2.673 1.00 0.00 N ATOM 1010 CA LYS A 58 82.659 10.613 -1.429 1.00 0.00 C ATOM 1011 C LYS A 58 82.020 9.894 -0.250 1.00 0.00 C ATOM 1012 O LYS A 58 80.810 9.664 -0.233 1.00 0.00 O ATOM 1013 CB LYS A 58 82.539 12.128 -1.246 1.00 0.00 C ATOM 1014 CG LYS A 58 81.063 12.521 -1.140 1.00 0.00 C ATOM 1015 CD LYS A 58 80.944 14.043 -1.056 1.00 0.00 C ATOM 1016 CE LYS A 58 79.471 14.434 -0.935 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.353 15.918 -0.883 1.00 0.00 N ATOM 0 H LYS A 58 80.997 10.139 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 58 83.714 10.344 -1.476 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.073 12.439 -0.348 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.003 12.643 -2.087 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.514 12.150 -2.006 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.616 12.062 -0.258 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.502 14.415 -0.197 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.381 14.502 -1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 58 78.909 14.044 -1.784 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.039 13.993 -0.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.351 16.184 -0.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.876 16.279 -0.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 79.750 16.328 -1.752 1.00 0.00 H new ATOM 1031 N LEU A 59 82.840 9.541 0.738 1.00 0.00 N ATOM 1032 CA LEU A 59 82.332 8.845 1.910 1.00 0.00 C ATOM 1033 C LEU A 59 83.131 9.220 3.152 1.00 0.00 C ATOM 1034 O LEU A 59 84.359 9.144 3.163 1.00 0.00 O ATOM 1035 CB LEU A 59 82.422 7.332 1.684 1.00 0.00 C ATOM 1036 CG LEU A 59 81.301 6.609 2.402 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.954 7.059 1.849 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.440 5.098 2.219 1.00 0.00 C ATOM 0 H LEU A 59 83.843 9.724 0.748 1.00 0.00 H new ATOM 0 HA LEU A 59 81.293 9.138 2.064 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.374 7.117 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.384 6.964 2.040 1.00 0.00 H new ATOM 0 HG LEU A 59 81.360 6.849 3.464 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.153 6.535 2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.841 8.133 1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.904 6.832 0.784 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.627 4.592 2.741 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.397 4.855 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.395 4.768 2.628 1.00 0.00 H new ATOM 1050 N GLN A 60 82.418 9.624 4.197 1.00 0.00 N ATOM 1051 CA GLN A 60 83.064 10.010 5.445 1.00 0.00 C ATOM 1052 C GLN A 60 83.422 8.777 6.271 1.00 0.00 C ATOM 1053 O GLN A 60 82.610 7.874 6.444 1.00 0.00 O ATOM 1054 CB GLN A 60 82.137 10.913 6.260 1.00 0.00 C ATOM 1055 CG GLN A 60 82.935 11.576 7.386 1.00 0.00 C ATOM 1056 CD GLN A 60 81.997 11.971 8.522 1.00 0.00 C ATOM 1057 OE1 GLN A 60 81.072 11.226 8.849 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.184 13.098 9.153 1.00 0.00 N ATOM 0 H GLN A 60 81.400 9.692 4.205 1.00 0.00 H new ATOM 0 HA GLN A 60 83.978 10.551 5.201 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.694 11.673 5.617 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.316 10.329 6.676 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.699 10.891 7.755 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.453 12.457 7.007 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.950 13.714 8.881 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.564 13.363 9.918 1.00 0.00 H new ATOM 1067 N ARG A 61 84.649 8.744 6.766 1.00 0.00 N ATOM 1068 CA ARG A 61 85.106 7.612 7.564 1.00 0.00 C ATOM 1069 C ARG A 61 84.540 7.683 8.979 1.00 0.00 C ATOM 1070 O ARG A 61 84.018 8.714 9.399 1.00 0.00 O ATOM 1071 CB ARG A 61 86.633 7.585 7.621 1.00 0.00 C ATOM 1072 CG ARG A 61 87.199 7.656 6.201 1.00 0.00 C ATOM 1073 CD ARG A 61 88.709 7.399 6.225 1.00 0.00 C ATOM 1074 NE ARG A 61 89.439 8.611 5.871 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.767 8.644 5.901 1.00 0.00 C ATOM 1076 NH1 ARG A 61 91.440 7.583 6.252 1.00 0.00 N ATOM 1077 NH2 ARG A 61 91.399 9.739 5.578 1.00 0.00 N ATOM 0 H ARG A 61 85.343 9.480 6.632 1.00 0.00 H new ATOM 0 HA ARG A 61 84.749 6.698 7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 61 87.000 8.424 8.212 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.973 6.674 8.114 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.706 6.919 5.567 1.00 0.00 H new ATOM 0 HG3 ARG A 61 86.995 8.635 5.768 1.00 0.00 H new ATOM 0 HD2 ARG A 61 89.011 7.062 7.217 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.959 6.600 5.527 1.00 0.00 H new ATOM 0 HE ARG A 61 88.922 9.446 5.596 1.00 0.00 H new ATOM 0 HH11 ARG A 61 90.947 6.726 6.504 1.00 0.00 H new ATOM 0 HH12 ARG A 61 92.459 7.610 6.274 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.874 10.569 5.303 1.00 0.00 H new ATOM 0 HH22 ARG A 61 92.418 9.765 5.601 1.00 0.00 H new ATOM 1091 N ARG A 62 84.659 6.582 9.711 1.00 0.00 N ATOM 1092 CA ARG A 62 84.162 6.533 11.083 1.00 0.00 C ATOM 1093 C ARG A 62 84.952 7.487 11.971 1.00 0.00 C ATOM 1094 O ARG A 62 84.612 7.691 13.137 1.00 0.00 O ATOM 1095 CB ARG A 62 84.270 5.111 11.635 1.00 0.00 C ATOM 1096 CG ARG A 62 82.870 4.506 11.769 1.00 0.00 C ATOM 1097 CD ARG A 62 82.977 3.103 12.367 1.00 0.00 C ATOM 1098 NE ARG A 62 81.777 2.334 12.067 1.00 0.00 N ATOM 1099 CZ ARG A 62 80.668 2.479 12.785 1.00 0.00 C ATOM 1100 NH1 ARG A 62 80.642 3.321 13.780 1.00 0.00 N ATOM 1101 NH2 ARG A 62 79.606 1.780 12.494 1.00 0.00 N ATOM 0 H ARG A 62 85.091 5.718 9.383 1.00 0.00 H new ATOM 0 HA ARG A 62 83.115 6.837 11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.880 4.498 10.972 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.767 5.123 12.605 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.249 5.137 12.404 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.386 4.461 10.793 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.853 2.595 11.965 1.00 0.00 H new ATOM 0 HD3 ARG A 62 83.114 3.170 13.446 1.00 0.00 H new ATOM 0 HE ARG A 62 81.788 1.672 11.291 1.00 0.00 H new ATOM 0 HH11 ARG A 62 81.472 3.868 14.007 1.00 0.00 H new ATOM 0 HH12 ARG A 62 79.791 3.433 14.331 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.626 1.122 11.715 1.00 0.00 H new ATOM 0 HH22 ARG A 62 78.755 1.892 13.045 1.00 0.00 H new ATOM 1115 N ASP A 63 86.010 8.067 11.413 1.00 0.00 N ATOM 1116 CA ASP A 63 86.844 8.996 12.161 1.00 0.00 C ATOM 1117 C ASP A 63 86.475 10.430 11.834 1.00 0.00 C ATOM 1118 O ASP A 63 87.153 11.354 12.276 1.00 0.00 O ATOM 1119 CB ASP A 63 88.313 8.763 11.837 1.00 0.00 C ATOM 1120 CG ASP A 63 88.767 7.428 12.413 1.00 0.00 C ATOM 1121 OD1 ASP A 63 88.049 6.886 13.238 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.826 6.965 12.021 1.00 0.00 O ATOM 0 H ASP A 63 86.308 7.910 10.450 1.00 0.00 H new ATOM 0 HA ASP A 63 86.676 8.822 13.224 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.462 8.772 10.757 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.918 9.571 12.249 1.00 0.00 H new ATOM 1127 N ASN A 64 85.401 10.616 11.062 1.00 0.00 N ATOM 1128 CA ASN A 64 84.949 11.948 10.687 1.00 0.00 C ATOM 1129 C ASN A 64 85.809 12.510 9.564 1.00 0.00 C ATOM 1130 O ASN A 64 85.557 13.606 9.063 1.00 0.00 O ATOM 1131 CB ASN A 64 84.999 12.884 11.896 1.00 0.00 C ATOM 1132 CG ASN A 64 84.570 12.130 13.152 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.749 11.217 13.082 1.00 0.00 O ATOM 1134 ND2 ASN A 64 85.073 12.474 14.304 1.00 0.00 N ATOM 0 H ASN A 64 84.832 9.857 10.687 1.00 0.00 H new ATOM 0 HA ASN A 64 83.920 11.873 10.336 1.00 0.00 H new ATOM 0 HB2 ASN A 64 86.008 13.276 12.023 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.343 13.739 11.733 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.786 11.985 15.152 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.754 13.232 14.357 1.00 0.00 H new ATOM 1141 N THR A 65 86.825 11.749 9.167 1.00 0.00 N ATOM 1142 CA THR A 65 87.710 12.184 8.094 1.00 0.00 C ATOM 1143 C THR A 65 87.077 11.905 6.738 1.00 0.00 C ATOM 1144 O THR A 65 86.653 10.787 6.462 1.00 0.00 O ATOM 1145 CB THR A 65 89.049 11.447 8.198 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.813 10.051 8.325 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.819 11.953 9.419 1.00 0.00 C ATOM 0 H THR A 65 87.053 10.839 9.567 1.00 0.00 H new ATOM 0 HA THR A 65 87.876 13.257 8.191 1.00 0.00 H new ATOM 0 HB THR A 65 89.637 11.634 7.300 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.669 9.579 8.390 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.771 11.428 9.492 1.00 0.00 H new ATOM 0 HG22 THR A 65 90.001 13.023 9.316 1.00 0.00 H new ATOM 0 HG23 THR A 65 89.234 11.769 10.320 1.00 0.00 H new ATOM 1155 N PHE A 66 87.011 12.928 5.894 1.00 0.00 N ATOM 1156 CA PHE A 66 86.418 12.773 4.570 1.00 0.00 C ATOM 1157 C PHE A 66 87.377 12.042 3.639 1.00 0.00 C ATOM 1158 O PHE A 66 88.539 12.429 3.506 1.00 0.00 O ATOM 1159 CB PHE A 66 86.092 14.150 3.985 1.00 0.00 C ATOM 1160 CG PHE A 66 84.932 14.757 4.737 1.00 0.00 C ATOM 1161 CD1 PHE A 66 85.167 15.545 5.870 1.00 0.00 C ATOM 1162 CD2 PHE A 66 83.621 14.530 4.302 1.00 0.00 C ATOM 1163 CE1 PHE A 66 84.091 16.106 6.567 1.00 0.00 C ATOM 1164 CE2 PHE A 66 82.544 15.090 4.999 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.779 15.879 6.132 1.00 0.00 C ATOM 0 H PHE A 66 87.357 13.865 6.099 1.00 0.00 H new ATOM 0 HA PHE A 66 85.503 12.189 4.665 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.964 14.801 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.845 14.058 2.927 1.00 0.00 H new ATOM 0 HD1 PHE A 66 86.178 15.720 6.206 1.00 0.00 H new ATOM 0 HD2 PHE A 66 83.440 13.922 3.428 1.00 0.00 H new ATOM 0 HE1 PHE A 66 84.272 16.714 7.441 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.533 14.914 4.663 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.949 16.312 6.670 1.00 0.00 H new ATOM 1175 N PHE A 67 86.884 10.985 2.999 1.00 0.00 N ATOM 1176 CA PHE A 67 87.707 10.204 2.081 1.00 0.00 C ATOM 1177 C PHE A 67 87.029 10.102 0.719 1.00 0.00 C ATOM 1178 O PHE A 67 85.942 9.535 0.594 1.00 0.00 O ATOM 1179 CB PHE A 67 87.931 8.802 2.648 1.00 0.00 C ATOM 1180 CG PHE A 67 88.940 8.070 1.796 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.521 7.373 0.659 1.00 0.00 C ATOM 1182 CD2 PHE A 67 90.296 8.092 2.144 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.458 6.698 -0.133 1.00 0.00 C ATOM 1184 CE2 PHE A 67 91.232 7.416 1.354 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.813 6.719 0.214 1.00 0.00 C ATOM 0 H PHE A 67 85.925 10.651 3.098 1.00 0.00 H new ATOM 0 HA PHE A 67 88.668 10.704 1.962 1.00 0.00 H new ATOM 0 HB2 PHE A 67 88.286 8.867 3.677 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.990 8.252 2.670 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.475 7.355 0.391 1.00 0.00 H new ATOM 0 HD2 PHE A 67 90.619 8.631 3.022 1.00 0.00 H new ATOM 0 HE1 PHE A 67 89.134 6.161 -1.012 1.00 0.00 H new ATOM 0 HE2 PHE A 67 92.278 7.432 1.623 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.535 6.198 -0.397 1.00 0.00 H new ATOM 1195 N TYR A 68 87.676 10.657 -0.301 1.00 0.00 N ATOM 1196 CA TYR A 68 87.125 10.623 -1.649 1.00 0.00 C ATOM 1197 C TYR A 68 87.430 9.285 -2.315 1.00 0.00 C ATOM 1198 O TYR A 68 88.531 8.753 -2.183 1.00 0.00 O ATOM 1199 CB TYR A 68 87.719 11.760 -2.484 1.00 0.00 C ATOM 1200 CG TYR A 68 87.265 13.087 -1.926 1.00 0.00 C ATOM 1201 CD1 TYR A 68 85.943 13.508 -2.111 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.165 13.896 -1.222 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.521 14.738 -1.590 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.743 15.126 -0.702 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.420 15.546 -0.887 1.00 0.00 C ATOM 1206 OH TYR A 68 86.005 16.759 -0.375 1.00 0.00 O ATOM 0 H TYR A 68 88.575 11.132 -0.220 1.00 0.00 H new ATOM 0 HA TYR A 68 86.044 10.747 -1.586 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.807 11.703 -2.473 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.405 11.664 -3.523 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.249 12.885 -2.655 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.185 13.571 -1.080 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.501 15.062 -1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.437 15.750 -0.159 1.00 0.00 H new ATOM 0 HH TYR A 68 86.753 17.193 0.086 1.00 0.00 H new ATOM 1216 N TYR A 69 86.446 8.753 -3.033 1.00 0.00 N ATOM 1217 CA TYR A 69 86.607 7.478 -3.724 1.00 0.00 C ATOM 1218 C TYR A 69 86.690 7.685 -5.230 1.00 0.00 C ATOM 1219 O TYR A 69 86.229 8.700 -5.752 1.00 0.00 O ATOM 1220 CB TYR A 69 85.448 6.544 -3.389 1.00 0.00 C ATOM 1221 CG TYR A 69 85.684 5.907 -2.040 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.486 4.762 -1.943 1.00 0.00 C ATOM 1223 CD2 TYR A 69 85.105 6.451 -0.891 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.709 4.163 -0.698 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.330 5.849 0.354 1.00 0.00 C ATOM 1226 CZ TYR A 69 86.130 4.709 0.449 1.00 0.00 C ATOM 1227 OH TYR A 69 86.346 4.122 1.681 1.00 0.00 O ATOM 0 H TYR A 69 85.529 9.184 -3.152 1.00 0.00 H new ATOM 0 HA TYR A 69 87.538 7.024 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.510 7.100 -3.381 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.355 5.774 -4.155 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.933 4.341 -2.831 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.486 7.333 -0.962 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.327 3.281 -0.625 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.883 6.268 1.243 1.00 0.00 H new ATOM 0 HH TYR A 69 85.585 3.548 1.908 1.00 0.00 H new ATOM 1237 N ASN A 70 87.275 6.713 -5.927 1.00 0.00 N ATOM 1238 CA ASN A 70 87.403 6.801 -7.375 1.00 0.00 C ATOM 1239 C ASN A 70 86.317 5.976 -8.064 1.00 0.00 C ATOM 1240 O ASN A 70 86.011 4.861 -7.644 1.00 0.00 O ATOM 1241 CB ASN A 70 88.782 6.300 -7.807 1.00 0.00 C ATOM 1242 CG ASN A 70 88.751 4.790 -7.999 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.219 4.066 -7.158 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.291 4.268 -9.067 1.00 0.00 N ATOM 0 H ASN A 70 87.663 5.865 -5.515 1.00 0.00 H new ATOM 0 HA ASN A 70 87.287 7.844 -7.668 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.080 6.787 -8.735 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.526 6.564 -7.055 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.273 3.258 -9.206 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.731 4.871 -9.762 1.00 0.00 H new ATOM 1251 N LYS A 71 85.751 6.525 -9.131 1.00 0.00 N ATOM 1252 CA LYS A 71 84.713 5.827 -9.880 1.00 0.00 C ATOM 1253 C LYS A 71 85.328 4.836 -10.865 1.00 0.00 C ATOM 1254 O LYS A 71 84.627 4.014 -11.455 1.00 0.00 O ATOM 1255 CB LYS A 71 83.848 6.838 -10.638 1.00 0.00 C ATOM 1256 CG LYS A 71 84.737 7.713 -11.529 1.00 0.00 C ATOM 1257 CD LYS A 71 83.903 8.292 -12.669 1.00 0.00 C ATOM 1258 CE LYS A 71 84.794 9.161 -13.559 1.00 0.00 C ATOM 1259 NZ LYS A 71 84.014 9.627 -14.739 1.00 0.00 N ATOM 0 H LYS A 71 85.991 7.447 -9.496 1.00 0.00 H new ATOM 0 HA LYS A 71 84.093 5.275 -9.174 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.109 6.316 -11.246 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.298 7.461 -9.933 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.178 8.518 -10.942 1.00 0.00 H new ATOM 0 HG3 LYS A 71 85.561 7.123 -11.930 1.00 0.00 H new ATOM 0 HD2 LYS A 71 83.459 7.487 -13.255 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.081 8.885 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.166 10.016 -12.995 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.664 8.592 -13.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 84.529 10.396 -15.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 83.883 8.837 -15.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 83.085 9.974 -14.426 1.00 0.00 H new ATOM 1273 N GLU A 72 86.634 4.934 -11.058 1.00 0.00 N ATOM 1274 CA GLU A 72 87.323 4.057 -11.993 1.00 0.00 C ATOM 1275 C GLU A 72 87.695 2.751 -11.334 1.00 0.00 C ATOM 1276 O GLU A 72 88.869 2.418 -11.303 1.00 0.00 O ATOM 1277 CB GLU A 72 88.597 4.733 -12.508 1.00 0.00 C ATOM 1278 CG GLU A 72 88.224 5.851 -13.478 1.00 0.00 C ATOM 1279 CD GLU A 72 89.466 6.643 -13.871 1.00 0.00 C ATOM 1280 OE1 GLU A 72 90.479 6.484 -13.209 1.00 0.00 O ATOM 1281 OE2 GLU A 72 89.388 7.393 -14.828 1.00 0.00 O ATOM 0 H GLU A 72 87.235 5.607 -10.583 1.00 0.00 H new ATOM 0 HA GLU A 72 86.646 3.857 -12.824 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.170 5.137 -11.673 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.233 4.002 -13.007 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.756 5.429 -14.368 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.492 6.514 -13.016 1.00 0.00 H new ATOM 1365 N LYS A 78 91.586 -9.262 -5.133 1.00 0.00 N ATOM 1366 CA LYS A 78 92.274 -9.342 -3.847 1.00 0.00 C ATOM 1367 C LYS A 78 91.398 -8.778 -2.728 1.00 0.00 C ATOM 1368 O LYS A 78 91.451 -9.240 -1.578 1.00 0.00 O ATOM 1369 CB LYS A 78 93.583 -8.552 -3.905 1.00 0.00 C ATOM 1370 CG LYS A 78 94.569 -9.258 -4.837 1.00 0.00 C ATOM 1371 CD LYS A 78 95.870 -8.454 -4.908 1.00 0.00 C ATOM 1372 CE LYS A 78 96.853 -9.158 -5.846 1.00 0.00 C ATOM 1373 NZ LYS A 78 98.118 -8.374 -5.919 1.00 0.00 N ATOM 0 HA LYS A 78 92.484 -10.391 -3.639 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.393 -7.539 -4.261 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.011 -8.464 -2.906 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.771 -10.266 -4.474 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.136 -9.359 -5.832 1.00 0.00 H new ATOM 0 HD2 LYS A 78 95.667 -7.445 -5.267 1.00 0.00 H new ATOM 0 HD3 LYS A 78 96.305 -8.357 -3.913 1.00 0.00 H new ATOM 0 HE2 LYS A 78 97.058 -10.166 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 78 96.416 -9.257 -6.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 98.786 -8.852 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 97.915 -7.421 -6.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 98.537 -8.301 -4.970 1.00 0.00 H new ATOM 1387 N GLU A 79 90.571 -7.795 -3.069 1.00 0.00 N ATOM 1388 CA GLU A 79 89.680 -7.187 -2.097 1.00 0.00 C ATOM 1389 C GLU A 79 88.473 -8.074 -1.847 1.00 0.00 C ATOM 1390 O GLU A 79 87.982 -8.169 -0.742 1.00 0.00 O ATOM 1391 CB GLU A 79 89.229 -5.811 -2.592 1.00 0.00 C ATOM 1392 CG GLU A 79 90.381 -4.808 -2.457 1.00 0.00 C ATOM 1393 CD GLU A 79 91.440 -5.089 -3.511 1.00 0.00 C ATOM 1394 OE1 GLU A 79 91.150 -5.847 -4.416 1.00 0.00 O ATOM 1395 OE2 GLU A 79 92.524 -4.544 -3.393 1.00 0.00 O ATOM 0 H GLU A 79 90.502 -7.406 -4.009 1.00 0.00 H new ATOM 0 HA GLU A 79 90.220 -7.069 -1.157 1.00 0.00 H new ATOM 0 HB2 GLU A 79 88.910 -5.875 -3.632 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.369 -5.471 -2.015 1.00 0.00 H new ATOM 0 HG2 GLU A 79 90.004 -3.791 -2.570 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.819 -4.877 -1.461 1.00 0.00 H new ATOM 1402 N VAL A 80 88.001 -8.743 -2.876 1.00 0.00 N ATOM 1403 CA VAL A 80 86.851 -9.621 -2.713 1.00 0.00 C ATOM 1404 C VAL A 80 87.137 -10.667 -1.642 1.00 0.00 C ATOM 1405 O VAL A 80 86.298 -10.927 -0.778 1.00 0.00 O ATOM 1406 CB VAL A 80 86.558 -10.322 -4.040 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.530 -11.440 -3.835 1.00 0.00 C ATOM 1408 CG2 VAL A 80 85.992 -9.306 -5.031 1.00 0.00 C ATOM 0 H VAL A 80 88.384 -8.702 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 80 85.989 -9.027 -2.409 1.00 0.00 H new ATOM 0 HB VAL A 80 87.483 -10.751 -4.424 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.331 -11.930 -4.788 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.922 -12.169 -3.126 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.605 -11.016 -3.445 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.781 -9.801 -5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.071 -8.881 -4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.719 -8.510 -5.191 1.00 0.00 H new ATOM 1418 N HIS A 81 88.304 -11.291 -1.723 1.00 0.00 N ATOM 1419 CA HIS A 81 88.655 -12.329 -0.758 1.00 0.00 C ATOM 1420 C HIS A 81 88.721 -11.784 0.662 1.00 0.00 C ATOM 1421 O HIS A 81 88.166 -12.379 1.588 1.00 0.00 O ATOM 1422 CB HIS A 81 90.027 -12.909 -1.110 1.00 0.00 C ATOM 1423 CG HIS A 81 90.419 -13.942 -0.089 1.00 0.00 C ATOM 1424 ND1 HIS A 81 91.744 -14.213 0.222 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.673 -14.781 0.702 1.00 0.00 C ATOM 1426 CE1 HIS A 81 91.754 -15.176 1.162 1.00 0.00 C ATOM 1427 NE2 HIS A 81 90.518 -15.558 1.490 1.00 0.00 N ATOM 0 H HIS A 81 89.013 -11.103 -2.432 1.00 0.00 H new ATOM 0 HA HIS A 81 87.880 -13.094 -0.804 1.00 0.00 H new ATOM 0 HB2 HIS A 81 89.999 -13.358 -2.103 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.772 -12.114 -1.141 1.00 0.00 H new ATOM 0 HD2 HIS A 81 88.594 -14.831 0.711 1.00 0.00 H new ATOM 0 HE1 HIS A 81 92.652 -15.589 1.597 1.00 0.00 H new ATOM 0 HE2 HIS A 81 90.250 -16.267 2.172 1.00 0.00 H new ATOM 1435 N LYS A 82 89.394 -10.648 0.829 1.00 0.00 N ATOM 1436 CA LYS A 82 89.521 -10.045 2.153 1.00 0.00 C ATOM 1437 C LYS A 82 88.248 -9.312 2.567 1.00 0.00 C ATOM 1438 O LYS A 82 87.980 -9.137 3.756 1.00 0.00 O ATOM 1439 CB LYS A 82 90.710 -9.089 2.173 1.00 0.00 C ATOM 1440 CG LYS A 82 90.393 -7.868 1.326 1.00 0.00 C ATOM 1441 CD LYS A 82 90.085 -6.671 2.220 1.00 0.00 C ATOM 1442 CE LYS A 82 91.392 -6.110 2.769 1.00 0.00 C ATOM 1443 NZ LYS A 82 91.793 -4.918 1.971 1.00 0.00 N ATOM 0 H LYS A 82 89.853 -10.133 0.077 1.00 0.00 H new ATOM 0 HA LYS A 82 89.685 -10.847 2.872 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.930 -8.787 3.197 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.599 -9.590 1.790 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.238 -7.638 0.676 1.00 0.00 H new ATOM 0 HG3 LYS A 82 89.541 -8.077 0.679 1.00 0.00 H new ATOM 0 HD2 LYS A 82 89.555 -5.905 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 82 89.431 -6.971 3.039 1.00 0.00 H new ATOM 0 HE2 LYS A 82 91.271 -5.836 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.173 -6.869 2.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.685 -4.534 2.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 91.924 -5.194 0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.051 -4.192 2.034 1.00 0.00 H new ATOM 1457 N VAL A 83 87.475 -8.880 1.581 1.00 0.00 N ATOM 1458 CA VAL A 83 86.239 -8.164 1.846 1.00 0.00 C ATOM 1459 C VAL A 83 85.173 -9.093 2.411 1.00 0.00 C ATOM 1460 O VAL A 83 84.925 -10.178 1.874 1.00 0.00 O ATOM 1461 CB VAL A 83 85.715 -7.531 0.558 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.251 -7.142 0.735 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.527 -6.275 0.242 1.00 0.00 C ATOM 0 H VAL A 83 87.683 -9.013 0.591 1.00 0.00 H new ATOM 0 HA VAL A 83 86.455 -7.390 2.582 1.00 0.00 H new ATOM 0 HB VAL A 83 85.808 -8.249 -0.257 1.00 0.00 H new ATOM 0 HG11 VAL A 83 83.881 -6.691 -0.186 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.664 -8.031 0.965 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.161 -6.426 1.552 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.154 -5.822 -0.677 1.00 0.00 H new ATOM 0 HG22 VAL A 83 86.431 -5.564 1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.576 -6.542 0.115 1.00 0.00 H new ATOM 1473 N LYS A 84 84.533 -8.649 3.491 1.00 0.00 N ATOM 1474 CA LYS A 84 83.479 -9.438 4.114 1.00 0.00 C ATOM 1475 C LYS A 84 82.127 -8.779 3.877 1.00 0.00 C ATOM 1476 O LYS A 84 81.929 -7.613 4.213 1.00 0.00 O ATOM 1477 CB LYS A 84 83.730 -9.577 5.609 1.00 0.00 C ATOM 1478 CG LYS A 84 85.095 -10.230 5.838 1.00 0.00 C ATOM 1479 CD LYS A 84 85.088 -10.992 7.166 1.00 0.00 C ATOM 1480 CE LYS A 84 84.891 -10.010 8.324 1.00 0.00 C ATOM 1481 NZ LYS A 84 86.031 -9.051 8.359 1.00 0.00 N ATOM 0 H LYS A 84 84.725 -7.757 3.947 1.00 0.00 H new ATOM 0 HA LYS A 84 83.478 -10.431 3.666 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.699 -8.598 6.087 1.00 0.00 H new ATOM 0 HB3 LYS A 84 82.945 -10.180 6.066 1.00 0.00 H new ATOM 0 HG2 LYS A 84 85.325 -10.911 5.018 1.00 0.00 H new ATOM 0 HG3 LYS A 84 85.875 -9.469 5.849 1.00 0.00 H new ATOM 0 HD2 LYS A 84 84.290 -11.734 7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 84 86.026 -11.533 7.291 1.00 0.00 H new ATOM 0 HE2 LYS A 84 83.952 -9.471 8.202 1.00 0.00 H new ATOM 0 HE3 LYS A 84 84.828 -10.552 9.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 86.111 -8.642 9.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 86.912 -9.550 8.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.866 -8.291 7.669 1.00 0.00 H new ATOM 1495 N VAL A 85 81.199 -9.527 3.286 1.00 0.00 N ATOM 1496 CA VAL A 85 79.877 -8.985 2.994 1.00 0.00 C ATOM 1497 C VAL A 85 78.892 -9.343 4.102 1.00 0.00 C ATOM 1498 O VAL A 85 78.664 -10.517 4.390 1.00 0.00 O ATOM 1499 CB VAL A 85 79.372 -9.546 1.660 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.077 -8.837 1.255 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.433 -9.333 0.580 1.00 0.00 C ATOM 0 H VAL A 85 81.336 -10.497 3.003 1.00 0.00 H new ATOM 0 HA VAL A 85 79.954 -7.900 2.931 1.00 0.00 H new ATOM 0 HB VAL A 85 79.176 -10.613 1.771 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.723 -9.240 0.306 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.319 -8.997 2.022 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.265 -7.769 1.148 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.073 -9.732 -0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.633 -8.267 0.472 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.351 -9.848 0.865 1.00 0.00 H new ATOM 1511 N TYR A 86 78.310 -8.319 4.719 1.00 0.00 N ATOM 1512 CA TYR A 86 77.351 -8.536 5.796 1.00 0.00 C ATOM 1513 C TYR A 86 75.973 -8.847 5.231 1.00 0.00 C ATOM 1514 O TYR A 86 75.618 -8.378 4.150 1.00 0.00 O ATOM 1515 CB TYR A 86 77.279 -7.298 6.688 1.00 0.00 C ATOM 1516 CG TYR A 86 76.237 -6.350 6.150 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.310 -5.911 4.822 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.196 -5.914 6.972 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.341 -5.035 4.321 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.225 -5.038 6.474 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.299 -4.597 5.146 1.00 0.00 C ATOM 1522 OH TYR A 86 73.343 -3.732 4.653 1.00 0.00 O ATOM 0 H TYR A 86 78.484 -7.339 4.494 1.00 0.00 H new ATOM 0 HA TYR A 86 77.684 -9.388 6.389 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.031 -7.587 7.709 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.251 -6.805 6.723 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.114 -6.249 4.185 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.140 -6.254 7.996 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.397 -4.697 3.297 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.420 -4.703 7.112 1.00 0.00 H new ATOM 0 HH TYR A 86 72.691 -3.529 5.356 1.00 0.00 H new ATOM 1532 N VAL A 87 75.199 -9.640 5.970 1.00 0.00 N ATOM 1533 CA VAL A 87 73.857 -10.009 5.532 1.00 0.00 C ATOM 1534 C VAL A 87 72.830 -9.682 6.611 1.00 0.00 C ATOM 1535 O VAL A 87 73.055 -9.931 7.795 1.00 0.00 O ATOM 1536 CB VAL A 87 73.807 -11.505 5.212 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.550 -11.775 3.902 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.482 -12.290 6.342 1.00 0.00 C ATOM 0 H VAL A 87 75.477 -10.036 6.868 1.00 0.00 H new ATOM 0 HA VAL A 87 73.617 -9.437 4.636 1.00 0.00 H new ATOM 0 HB VAL A 87 72.767 -11.818 5.114 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.513 -12.841 3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 87 74.078 -11.216 3.094 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.589 -11.461 4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.447 -13.356 6.116 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.521 -11.973 6.436 1.00 0.00 H new ATOM 0 HG23 VAL A 87 73.959 -12.101 7.279 1.00 0.00 H new ATOM 1548 N TYR A 88 71.698 -9.129 6.189 1.00 0.00 N ATOM 1549 CA TYR A 88 70.634 -8.774 7.122 1.00 0.00 C ATOM 1550 C TYR A 88 69.454 -9.727 6.974 1.00 0.00 C ATOM 1551 O TYR A 88 68.502 -9.577 7.721 1.00 0.00 O ATOM 1552 CB TYR A 88 70.172 -7.338 6.867 1.00 0.00 C ATOM 1553 CG TYR A 88 69.711 -7.203 5.436 1.00 0.00 C ATOM 1554 CD1 TYR A 88 68.373 -7.449 5.105 1.00 0.00 C ATOM 1555 CD2 TYR A 88 70.622 -6.835 4.439 1.00 0.00 C ATOM 1556 CE1 TYR A 88 67.946 -7.323 3.778 1.00 0.00 C ATOM 1557 CE2 TYR A 88 70.195 -6.709 3.112 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.857 -6.954 2.781 1.00 0.00 C ATOM 1559 OH TYR A 88 68.437 -6.831 1.473 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.521 -10.593 6.118 1.00 0.00 O ATOM 0 H TYR A 88 71.494 -8.918 5.212 1.00 0.00 H new ATOM 0 HA TYR A 88 71.024 -8.853 8.137 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.361 -7.080 7.547 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.987 -6.642 7.065 1.00 0.00 H new ATOM 0 HD1 TYR A 88 67.670 -7.736 5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 88 71.655 -6.648 4.694 1.00 0.00 H new ATOM 0 HE1 TYR A 88 66.913 -7.510 3.523 1.00 0.00 H new ATOM 0 HE2 TYR A 88 70.898 -6.423 2.343 1.00 0.00 H new ATOM 0 HH TYR A 88 69.194 -6.567 0.910 1.00 0.00 H new