USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=19 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 133:sc= -1.18! USER MOD Set 1.2: A 42 LYS NZ :NH3+ -152:sc= 0.339 (180deg=0.0295) USER MOD Set 1.3: A 60 GLN : amide:sc= -1.34 K(o=-2.2,f=-3.3!) USER MOD Single : A 10 SER OG : rot 27:sc= 0.0739 USER MOD Single : A 12 SER OG : rot 180:sc= -0.201 USER MOD Single : A 15 LYS NZ :NH3+ -160:sc= -0.224 (180deg=-0.957) USER MOD Single : A 16 LYS NZ :NH3+ -159:sc= -0.0468 (180deg=-0.508) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= 0.00487 F(o=-1.8!,f=0.0049) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -0.961! C(o=-0.96!,f=-4!) USER MOD Single : A 29 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.73) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.53) USER MOD Single : A 43 GLN : amide:sc= -1.28 K(o=-1.3,f=-2.3!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 113:sc= 0.922 USER MOD Single : A 55 TYR OH : rot -105:sc= -0.0576! USER MOD Single : A 57 LYS NZ :NH3+ -164:sc=-0.00444 (180deg=-0.292) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.57! C(o=-1.6!,f=-2.6!) USER MOD Single : A 65 THR OG1 : rot -138:sc= -0.0485 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -116:sc= 1.28 USER MOD Single : A 70 ASN : amide:sc= -0.925 X(o=-0.93,f=-0.56) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.0213 (180deg=-0.347) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0066 X(o=-0.0066,f=-0.28) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot -128:sc= -0.477 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.317 -12.375 9.894 1.00 0.00 N ATOM 194 CA SER A 10 75.379 -13.272 9.463 1.00 0.00 C ATOM 195 C SER A 10 76.340 -12.564 8.520 1.00 0.00 C ATOM 196 O SER A 10 76.025 -11.507 7.974 1.00 0.00 O ATOM 197 CB SER A 10 74.790 -14.492 8.761 1.00 0.00 C ATOM 198 OG SER A 10 73.956 -15.202 9.668 1.00 0.00 O ATOM 0 HA SER A 10 75.927 -13.591 10.350 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.215 -14.181 7.889 1.00 0.00 H new ATOM 0 HB3 SER A 10 75.590 -15.140 8.402 1.00 0.00 H new ATOM 0 HG SER A 10 73.600 -14.582 10.338 1.00 0.00 H new ATOM 204 N ILE A 11 77.516 -13.150 8.338 1.00 0.00 N ATOM 205 CA ILE A 11 78.523 -12.574 7.454 1.00 0.00 C ATOM 206 C ILE A 11 79.044 -13.625 6.478 1.00 0.00 C ATOM 207 O ILE A 11 79.342 -14.755 6.869 1.00 0.00 O ATOM 208 CB ILE A 11 79.684 -11.997 8.266 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.146 -10.953 9.248 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.695 -11.336 7.324 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.086 -11.555 10.653 1.00 0.00 C ATOM 0 H ILE A 11 77.796 -14.021 8.789 1.00 0.00 H new ATOM 0 HA ILE A 11 78.056 -11.769 6.887 1.00 0.00 H new ATOM 0 HB ILE A 11 80.175 -12.800 8.816 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.788 -10.072 9.246 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.153 -10.625 8.939 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.521 -10.926 7.906 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.078 -12.078 6.623 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.207 -10.533 6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.703 -10.811 11.352 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.426 -12.423 10.649 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.086 -11.861 10.961 1.00 0.00 H new ATOM 223 N SER A 12 79.143 -13.246 5.206 1.00 0.00 N ATOM 224 CA SER A 12 79.622 -14.157 4.172 1.00 0.00 C ATOM 225 C SER A 12 80.781 -13.532 3.403 1.00 0.00 C ATOM 226 O SER A 12 81.148 -12.382 3.642 1.00 0.00 O ATOM 227 CB SER A 12 78.489 -14.497 3.204 1.00 0.00 C ATOM 228 OG SER A 12 78.964 -15.415 2.229 1.00 0.00 O ATOM 0 H SER A 12 78.898 -12.315 4.868 1.00 0.00 H new ATOM 0 HA SER A 12 79.970 -15.070 4.654 1.00 0.00 H new ATOM 0 HB2 SER A 12 77.648 -14.928 3.747 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.125 -13.591 2.720 1.00 0.00 H new ATOM 0 HG SER A 12 78.239 -15.636 1.608 1.00 0.00 H new ATOM 234 N ARG A 13 81.350 -14.298 2.478 1.00 0.00 N ATOM 235 CA ARG A 13 82.467 -13.814 1.674 1.00 0.00 C ATOM 236 C ARG A 13 82.058 -13.688 0.213 1.00 0.00 C ATOM 237 O ARG A 13 81.488 -14.612 -0.369 1.00 0.00 O ATOM 238 CB ARG A 13 83.647 -14.776 1.782 1.00 0.00 C ATOM 239 CG ARG A 13 84.487 -14.433 3.014 1.00 0.00 C ATOM 240 CD ARG A 13 83.619 -14.527 4.271 1.00 0.00 C ATOM 241 NE ARG A 13 84.435 -14.897 5.420 1.00 0.00 N ATOM 242 CZ ARG A 13 85.168 -13.996 6.063 1.00 0.00 C ATOM 243 NH1 ARG A 13 85.172 -12.752 5.667 1.00 0.00 N ATOM 244 NH2 ARG A 13 85.888 -14.355 7.091 1.00 0.00 N ATOM 0 H ARG A 13 81.058 -15.252 2.267 1.00 0.00 H new ATOM 0 HA ARG A 13 82.758 -12.834 2.051 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.286 -15.802 1.851 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.261 -14.714 0.884 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.332 -15.117 3.092 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.898 -13.428 2.918 1.00 0.00 H new ATOM 0 HD2 ARG A 13 83.130 -13.571 4.456 1.00 0.00 H new ATOM 0 HD3 ARG A 13 82.831 -15.265 4.123 1.00 0.00 H new ATOM 0 HE ARG A 13 84.443 -15.867 5.736 1.00 0.00 H new ATOM 0 HH11 ARG A 13 84.611 -12.471 4.863 1.00 0.00 H new ATOM 0 HH12 ARG A 13 85.736 -12.061 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 13 85.887 -15.327 7.400 1.00 0.00 H new ATOM 0 HH22 ARG A 13 86.451 -13.663 7.586 1.00 0.00 H new ATOM 258 N ALA A 14 82.353 -12.537 -0.369 1.00 0.00 N ATOM 259 CA ALA A 14 82.016 -12.286 -1.761 1.00 0.00 C ATOM 260 C ALA A 14 82.797 -13.208 -2.688 1.00 0.00 C ATOM 261 O ALA A 14 83.877 -13.683 -2.341 1.00 0.00 O ATOM 262 CB ALA A 14 82.323 -10.836 -2.105 1.00 0.00 C ATOM 0 H ALA A 14 82.824 -11.763 0.100 1.00 0.00 H new ATOM 0 HA ALA A 14 80.953 -12.483 -1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.070 -10.648 -3.149 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.735 -10.178 -1.465 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.384 -10.642 -1.948 1.00 0.00 H new ATOM 268 N LYS A 15 82.235 -13.462 -3.863 1.00 0.00 N ATOM 269 CA LYS A 15 82.878 -14.333 -4.836 1.00 0.00 C ATOM 270 C LYS A 15 83.848 -13.549 -5.710 1.00 0.00 C ATOM 271 O LYS A 15 84.921 -14.042 -6.057 1.00 0.00 O ATOM 272 CB LYS A 15 81.820 -14.983 -5.724 1.00 0.00 C ATOM 273 CG LYS A 15 82.097 -16.481 -5.827 1.00 0.00 C ATOM 274 CD LYS A 15 81.771 -17.157 -4.492 1.00 0.00 C ATOM 275 CE LYS A 15 80.555 -18.065 -4.672 1.00 0.00 C ATOM 276 NZ LYS A 15 79.437 -17.282 -5.271 1.00 0.00 N ATOM 0 H LYS A 15 81.339 -13.079 -4.164 1.00 0.00 H new ATOM 0 HA LYS A 15 83.433 -15.099 -4.293 1.00 0.00 H new ATOM 0 HB2 LYS A 15 80.826 -14.813 -5.309 1.00 0.00 H new ATOM 0 HB3 LYS A 15 81.833 -14.530 -6.715 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.496 -16.918 -6.624 1.00 0.00 H new ATOM 0 HG3 LYS A 15 83.142 -16.651 -6.086 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.626 -17.738 -4.147 1.00 0.00 H new ATOM 0 HD3 LYS A 15 81.568 -16.405 -3.730 1.00 0.00 H new ATOM 0 HE2 LYS A 15 80.809 -18.908 -5.315 1.00 0.00 H new ATOM 0 HE3 LYS A 15 80.250 -18.478 -3.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 78.536 -17.768 -5.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 79.411 -16.333 -4.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 79.583 -17.198 -6.297 1.00 0.00 H new ATOM 290 N LYS A 16 83.466 -12.323 -6.057 1.00 0.00 N ATOM 291 CA LYS A 16 84.320 -11.482 -6.883 1.00 0.00 C ATOM 292 C LYS A 16 83.829 -10.038 -6.889 1.00 0.00 C ATOM 293 O LYS A 16 82.777 -9.720 -6.332 1.00 0.00 O ATOM 294 CB LYS A 16 84.386 -12.027 -8.317 1.00 0.00 C ATOM 295 CG LYS A 16 85.160 -11.069 -9.254 1.00 0.00 C ATOM 296 CD LYS A 16 86.609 -10.849 -8.789 1.00 0.00 C ATOM 297 CE LYS A 16 87.307 -9.924 -9.782 1.00 0.00 C ATOM 298 NZ LYS A 16 87.493 -10.654 -11.065 1.00 0.00 N ATOM 0 H LYS A 16 82.582 -11.896 -5.782 1.00 0.00 H new ATOM 0 HA LYS A 16 85.322 -11.498 -6.454 1.00 0.00 H new ATOM 0 HB2 LYS A 16 84.870 -13.004 -8.314 1.00 0.00 H new ATOM 0 HB3 LYS A 16 83.375 -12.173 -8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 16 85.162 -11.475 -10.265 1.00 0.00 H new ATOM 0 HG3 LYS A 16 84.644 -10.110 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 16 86.623 -10.411 -7.791 1.00 0.00 H new ATOM 0 HD3 LYS A 16 87.135 -11.802 -8.727 1.00 0.00 H new ATOM 0 HE2 LYS A 16 86.713 -9.024 -9.942 1.00 0.00 H new ATOM 0 HE3 LYS A 16 88.271 -9.603 -9.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 88.252 -10.203 -11.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 87.749 -11.643 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 86.608 -10.628 -11.611 1.00 0.00 H new ATOM 312 N TRP A 17 84.622 -9.176 -7.503 1.00 0.00 N ATOM 313 CA TRP A 17 84.307 -7.755 -7.571 1.00 0.00 C ATOM 314 C TRP A 17 82.908 -7.555 -8.133 1.00 0.00 C ATOM 315 O TRP A 17 82.531 -8.169 -9.128 1.00 0.00 O ATOM 316 CB TRP A 17 85.316 -7.030 -8.465 1.00 0.00 C ATOM 317 CG TRP A 17 85.104 -5.554 -8.351 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.192 -4.851 -7.199 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.775 -4.589 -9.394 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.930 -3.523 -7.465 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.667 -3.308 -8.803 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.557 -4.700 -10.781 1.00 0.00 C ATOM 323 CZ2 TRP A 17 84.356 -2.177 -9.558 1.00 0.00 C ATOM 324 CZ3 TRP A 17 84.243 -3.563 -11.543 1.00 0.00 C ATOM 325 CH2 TRP A 17 84.143 -2.304 -10.932 1.00 0.00 C ATOM 0 H TRP A 17 85.494 -9.435 -7.965 1.00 0.00 H new ATOM 0 HA TRP A 17 84.356 -7.344 -6.563 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.333 -7.287 -8.169 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.196 -7.348 -9.501 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.429 -5.262 -6.229 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.931 -2.788 -6.758 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.632 -5.665 -11.261 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 84.281 -1.210 -9.083 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 84.077 -3.658 -12.606 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.901 -1.434 -11.524 1.00 0.00 H new ATOM 336 N SER A 18 82.143 -6.694 -7.481 1.00 0.00 N ATOM 337 CA SER A 18 80.789 -6.425 -7.921 1.00 0.00 C ATOM 338 C SER A 18 80.280 -5.141 -7.290 1.00 0.00 C ATOM 339 O SER A 18 80.851 -4.645 -6.322 1.00 0.00 O ATOM 340 CB SER A 18 79.876 -7.589 -7.528 1.00 0.00 C ATOM 341 OG SER A 18 79.152 -8.026 -8.669 1.00 0.00 O ATOM 0 H SER A 18 82.435 -6.175 -6.653 1.00 0.00 H new ATOM 0 HA SER A 18 80.786 -6.313 -9.005 1.00 0.00 H new ATOM 0 HB2 SER A 18 80.468 -8.410 -7.123 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.187 -7.276 -6.744 1.00 0.00 H new ATOM 0 HG SER A 18 78.568 -8.773 -8.420 1.00 0.00 H new ATOM 347 N GLU A 19 79.218 -4.599 -7.861 1.00 0.00 N ATOM 348 CA GLU A 19 78.665 -3.355 -7.357 1.00 0.00 C ATOM 349 C GLU A 19 78.309 -3.500 -5.887 1.00 0.00 C ATOM 350 O GLU A 19 78.542 -2.588 -5.094 1.00 0.00 O ATOM 351 CB GLU A 19 77.416 -2.969 -8.152 1.00 0.00 C ATOM 352 CG GLU A 19 77.819 -2.513 -9.557 1.00 0.00 C ATOM 353 CD GLU A 19 76.576 -2.347 -10.424 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.545 -2.885 -10.053 1.00 0.00 O ATOM 355 OE2 GLU A 19 76.670 -1.683 -11.443 1.00 0.00 O ATOM 0 H GLU A 19 78.727 -4.995 -8.663 1.00 0.00 H new ATOM 0 HA GLU A 19 79.414 -2.572 -7.470 1.00 0.00 H new ATOM 0 HB2 GLU A 19 76.737 -3.819 -8.216 1.00 0.00 H new ATOM 0 HB3 GLU A 19 76.880 -2.170 -7.640 1.00 0.00 H new ATOM 0 HG2 GLU A 19 78.363 -1.570 -9.501 1.00 0.00 H new ATOM 0 HG3 GLU A 19 78.492 -3.243 -10.007 1.00 0.00 H new ATOM 362 N GLU A 20 77.767 -4.650 -5.521 1.00 0.00 N ATOM 363 CA GLU A 20 77.411 -4.887 -4.131 1.00 0.00 C ATOM 364 C GLU A 20 78.659 -4.955 -3.252 1.00 0.00 C ATOM 365 O GLU A 20 78.709 -4.353 -2.186 1.00 0.00 O ATOM 366 CB GLU A 20 76.656 -6.206 -4.022 1.00 0.00 C ATOM 367 CG GLU A 20 75.327 -6.094 -4.767 1.00 0.00 C ATOM 368 CD GLU A 20 74.397 -5.135 -4.032 1.00 0.00 C ATOM 369 OE1 GLU A 20 74.675 -4.839 -2.881 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.422 -4.713 -4.630 1.00 0.00 O ATOM 0 H GLU A 20 77.566 -5.423 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 20 76.786 -4.062 -3.790 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.254 -7.015 -4.442 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.479 -6.451 -2.975 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.499 -5.740 -5.783 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.861 -7.076 -4.846 1.00 0.00 H new ATOM 377 N ILE A 21 79.660 -5.702 -3.706 1.00 0.00 N ATOM 378 CA ILE A 21 80.891 -5.851 -2.928 1.00 0.00 C ATOM 379 C ILE A 21 81.654 -4.541 -2.934 1.00 0.00 C ATOM 380 O ILE A 21 81.938 -3.977 -1.878 1.00 0.00 O ATOM 381 CB ILE A 21 81.752 -6.984 -3.503 1.00 0.00 C ATOM 382 CG1 ILE A 21 80.837 -8.141 -3.929 1.00 0.00 C ATOM 383 CG2 ILE A 21 82.763 -7.478 -2.454 1.00 0.00 C ATOM 384 CD1 ILE A 21 79.808 -8.459 -2.832 1.00 0.00 C ATOM 0 H ILE A 21 79.648 -6.207 -4.592 1.00 0.00 H new ATOM 0 HA ILE A 21 80.639 -6.108 -1.899 1.00 0.00 H new ATOM 0 HB ILE A 21 82.305 -6.612 -4.365 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.321 -7.880 -4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.437 -9.027 -4.138 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.365 -8.281 -2.879 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.413 -6.654 -2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.228 -7.849 -1.580 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.172 -9.282 -3.158 1.00 0.00 H new ATOM 0 HD12 ILE A 21 80.328 -8.742 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.194 -7.578 -2.643 1.00 0.00 H new ATOM 396 N GLU A 22 81.985 -4.060 -4.124 1.00 0.00 N ATOM 397 CA GLU A 22 82.709 -2.808 -4.252 1.00 0.00 C ATOM 398 C GLU A 22 82.193 -1.794 -3.247 1.00 0.00 C ATOM 399 O GLU A 22 82.966 -1.177 -2.516 1.00 0.00 O ATOM 400 CB GLU A 22 82.500 -2.268 -5.662 1.00 0.00 C ATOM 401 CG GLU A 22 82.955 -0.807 -5.739 1.00 0.00 C ATOM 402 CD GLU A 22 81.816 0.120 -5.316 1.00 0.00 C ATOM 403 OE1 GLU A 22 80.668 -0.251 -5.502 1.00 0.00 O ATOM 404 OE2 GLU A 22 82.107 1.186 -4.807 1.00 0.00 O ATOM 0 H GLU A 22 81.764 -4.516 -5.009 1.00 0.00 H new ATOM 0 HA GLU A 22 83.768 -2.982 -4.062 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.061 -2.870 -6.377 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.448 -2.344 -5.937 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.819 -0.652 -5.093 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.270 -0.569 -6.755 1.00 0.00 H new ATOM 411 N ASN A 23 80.879 -1.635 -3.216 1.00 0.00 N ATOM 412 CA ASN A 23 80.258 -0.695 -2.291 1.00 0.00 C ATOM 413 C ASN A 23 80.572 -1.077 -0.850 1.00 0.00 C ATOM 414 O ASN A 23 80.941 -0.225 -0.044 1.00 0.00 O ATOM 415 CB ASN A 23 78.747 -0.685 -2.483 1.00 0.00 C ATOM 416 CG ASN A 23 78.110 0.104 -1.350 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.901 -0.490 -0.210 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 77.828 1.292 -1.496 1.00 0.00 N flip ATOM 0 H ASN A 23 80.225 -2.139 -3.815 1.00 0.00 H new ATOM 0 HA ASN A 23 80.660 0.297 -2.498 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.492 -0.237 -3.444 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.362 -1.705 -2.495 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.995 1.749 -2.392 1.00 0.00 H new ATOM 0 HD22 ASN A 23 77.427 1.820 -0.721 1.00 0.00 H new ATOM 425 N LEU A 24 80.405 -2.358 -0.520 1.00 0.00 N ATOM 426 CA LEU A 24 80.661 -2.807 0.836 1.00 0.00 C ATOM 427 C LEU A 24 82.092 -2.499 1.226 1.00 0.00 C ATOM 428 O LEU A 24 82.350 -2.072 2.346 1.00 0.00 O ATOM 429 CB LEU A 24 80.408 -4.306 0.939 1.00 0.00 C ATOM 430 CG LEU A 24 78.900 -4.568 0.892 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.654 -6.060 0.701 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.237 -4.114 2.199 1.00 0.00 C ATOM 0 H LEU A 24 80.099 -3.087 -1.165 1.00 0.00 H new ATOM 0 HA LEU A 24 79.990 -2.282 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.905 -4.828 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.828 -4.695 1.867 1.00 0.00 H new ATOM 0 HG LEU A 24 78.471 -4.007 0.062 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.581 -6.250 0.667 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.110 -6.387 -0.233 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.094 -6.611 1.532 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.165 -4.307 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.667 -4.665 3.036 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.407 -3.047 2.342 1.00 0.00 H new ATOM 444 N TYR A 25 83.018 -2.690 0.303 1.00 0.00 N ATOM 445 CA TYR A 25 84.406 -2.391 0.585 1.00 0.00 C ATOM 446 C TYR A 25 84.568 -0.925 0.951 1.00 0.00 C ATOM 447 O TYR A 25 85.192 -0.595 1.955 1.00 0.00 O ATOM 448 CB TYR A 25 85.263 -2.711 -0.638 1.00 0.00 C ATOM 449 CG TYR A 25 86.587 -1.986 -0.538 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.558 -2.405 0.379 1.00 0.00 C ATOM 451 CD2 TYR A 25 86.843 -0.894 -1.375 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.783 -1.734 0.458 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.066 -0.222 -1.292 1.00 0.00 C ATOM 454 CZ TYR A 25 89.037 -0.641 -0.378 1.00 0.00 C ATOM 455 OH TYR A 25 90.243 0.022 -0.303 1.00 0.00 O ATOM 0 H TYR A 25 82.836 -3.046 -0.635 1.00 0.00 H new ATOM 0 HA TYR A 25 84.731 -3.003 1.427 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.430 -3.786 -0.705 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.742 -2.412 -1.547 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.361 -3.247 1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.096 -0.571 -2.085 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.533 -2.060 1.164 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.261 0.623 -1.936 1.00 0.00 H new ATOM 0 HH TYR A 25 90.254 0.755 -0.953 1.00 0.00 H new ATOM 465 N ARG A 26 84.009 -0.044 0.132 1.00 0.00 N ATOM 466 CA ARG A 26 84.130 1.383 0.395 1.00 0.00 C ATOM 467 C ARG A 26 83.492 1.733 1.733 1.00 0.00 C ATOM 468 O ARG A 26 84.076 2.461 2.537 1.00 0.00 O ATOM 469 CB ARG A 26 83.436 2.172 -0.714 1.00 0.00 C ATOM 470 CG ARG A 26 84.150 1.924 -2.043 1.00 0.00 C ATOM 471 CD ARG A 26 83.568 2.847 -3.112 1.00 0.00 C ATOM 472 NE ARG A 26 84.077 2.483 -4.428 1.00 0.00 N ATOM 473 CZ ARG A 26 83.916 3.290 -5.471 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.348 4.455 -5.310 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.321 2.921 -6.654 1.00 0.00 N ATOM 0 H ARG A 26 83.477 -0.286 -0.704 1.00 0.00 H new ATOM 0 HA ARG A 26 85.188 1.642 0.426 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.391 1.871 -0.789 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.445 3.236 -0.478 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.219 2.105 -1.933 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.032 0.883 -2.343 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.480 2.782 -3.105 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.827 3.882 -2.888 1.00 0.00 H new ATOM 0 HE ARG A 26 84.564 1.595 -4.550 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.029 4.743 -4.385 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.223 5.076 -6.109 1.00 0.00 H new ATOM 0 HH21 ARG A 26 84.763 2.010 -6.781 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.196 3.543 -7.453 1.00 0.00 H new ATOM 489 N PHE A 27 82.292 1.216 1.973 1.00 0.00 N ATOM 490 CA PHE A 27 81.591 1.490 3.220 1.00 0.00 C ATOM 491 C PHE A 27 82.374 0.947 4.414 1.00 0.00 C ATOM 492 O PHE A 27 82.577 1.646 5.407 1.00 0.00 O ATOM 493 CB PHE A 27 80.212 0.839 3.150 1.00 0.00 C ATOM 494 CG PHE A 27 79.232 1.820 2.566 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.363 2.250 1.239 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.188 2.300 3.355 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.444 3.164 0.708 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.282 3.207 2.828 1.00 0.00 C ATOM 499 CZ PHE A 27 77.403 3.646 1.506 1.00 0.00 C ATOM 0 H PHE A 27 81.788 0.610 1.326 1.00 0.00 H new ATOM 0 HA PHE A 27 81.491 2.567 3.354 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.252 -0.062 2.537 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.890 0.533 4.145 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.171 1.877 0.627 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.085 1.965 4.377 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.540 3.495 -0.315 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.476 3.578 3.444 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.695 4.355 1.103 1.00 0.00 H new ATOM 509 N GLN A 28 82.786 -0.312 4.312 1.00 0.00 N ATOM 510 CA GLN A 28 83.522 -0.952 5.393 1.00 0.00 C ATOM 511 C GLN A 28 84.778 -0.157 5.714 1.00 0.00 C ATOM 512 O GLN A 28 85.105 0.053 6.879 1.00 0.00 O ATOM 513 CB GLN A 28 83.913 -2.374 4.988 1.00 0.00 C ATOM 514 CG GLN A 28 82.689 -3.291 5.013 1.00 0.00 C ATOM 515 CD GLN A 28 83.021 -4.607 4.316 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.188 -4.989 4.230 1.00 0.00 O ATOM 517 NE2 GLN A 28 82.059 -5.323 3.807 1.00 0.00 N ATOM 0 H GLN A 28 82.624 -0.905 3.498 1.00 0.00 H new ATOM 0 HA GLN A 28 82.883 -0.988 6.276 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.350 -2.367 3.989 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.675 -2.756 5.667 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.384 -3.480 6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.849 -2.806 4.516 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.093 -5.004 3.880 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.272 -6.202 3.336 1.00 0.00 H new ATOM 526 N GLN A 29 85.462 0.312 4.679 1.00 0.00 N ATOM 527 CA GLN A 29 86.660 1.108 4.884 1.00 0.00 C ATOM 528 C GLN A 29 86.322 2.399 5.621 1.00 0.00 C ATOM 529 O GLN A 29 87.062 2.828 6.507 1.00 0.00 O ATOM 530 CB GLN A 29 87.308 1.427 3.537 1.00 0.00 C ATOM 531 CG GLN A 29 87.955 0.163 2.964 1.00 0.00 C ATOM 532 CD GLN A 29 89.174 -0.218 3.792 1.00 0.00 C ATOM 533 OE1 GLN A 29 90.001 0.635 4.113 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.335 -1.458 4.164 1.00 0.00 N ATOM 0 H GLN A 29 85.211 0.157 3.703 1.00 0.00 H new ATOM 0 HA GLN A 29 87.361 0.536 5.491 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.559 1.810 2.844 1.00 0.00 H new ATOM 0 HB3 GLN A 29 88.058 2.208 3.659 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.235 -0.656 2.963 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.247 0.332 1.928 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.649 -2.164 3.897 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.147 -1.722 4.722 1.00 0.00 H new ATOM 543 N ALA A 30 85.197 3.011 5.263 1.00 0.00 N ATOM 544 CA ALA A 30 84.769 4.248 5.908 1.00 0.00 C ATOM 545 C ALA A 30 84.267 3.970 7.325 1.00 0.00 C ATOM 546 O ALA A 30 84.214 4.869 8.162 1.00 0.00 O ATOM 547 CB ALA A 30 83.660 4.907 5.087 1.00 0.00 C ATOM 0 H ALA A 30 84.569 2.673 4.534 1.00 0.00 H new ATOM 0 HA ALA A 30 85.624 4.921 5.967 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.346 5.830 5.575 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.032 5.133 4.088 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.810 4.228 5.012 1.00 0.00 H new ATOM 553 N GLY A 31 83.898 2.718 7.587 1.00 0.00 N ATOM 554 CA GLY A 31 83.396 2.335 8.905 1.00 0.00 C ATOM 555 C GLY A 31 81.892 2.083 8.870 1.00 0.00 C ATOM 556 O GLY A 31 81.279 1.782 9.894 1.00 0.00 O ATOM 0 H GLY A 31 83.936 1.956 6.910 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.910 1.436 9.246 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.619 3.122 9.625 1.00 0.00 H new ATOM 560 N TYR A 32 81.304 2.206 7.687 1.00 0.00 N ATOM 561 CA TYR A 32 79.877 1.995 7.527 1.00 0.00 C ATOM 562 C TYR A 32 79.612 0.605 6.966 1.00 0.00 C ATOM 563 O TYR A 32 80.437 0.042 6.252 1.00 0.00 O ATOM 564 CB TYR A 32 79.304 3.065 6.587 1.00 0.00 C ATOM 565 CG TYR A 32 79.623 4.468 7.088 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.722 4.762 8.465 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.838 5.488 6.151 1.00 0.00 C ATOM 568 CE1 TYR A 32 80.031 6.056 8.883 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.150 6.783 6.579 1.00 0.00 C ATOM 570 CZ TYR A 32 80.248 7.065 7.945 1.00 0.00 C ATOM 571 OH TYR A 32 80.565 8.337 8.370 1.00 0.00 O ATOM 0 H TYR A 32 81.795 2.451 6.827 1.00 0.00 H new ATOM 0 HA TYR A 32 79.390 2.074 8.499 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.715 2.931 5.586 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.224 2.942 6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 32 79.558 3.984 9.196 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.763 5.274 5.095 1.00 0.00 H new ATOM 0 HE1 TYR A 32 80.103 6.278 9.938 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.315 7.566 5.853 1.00 0.00 H new ATOM 0 HH TYR A 32 81.325 8.675 7.852 1.00 0.00 H new ATOM 581 N ARG A 33 78.463 0.053 7.325 1.00 0.00 N ATOM 582 CA ARG A 33 78.096 -1.277 6.866 1.00 0.00 C ATOM 583 C ARG A 33 77.388 -1.197 5.517 1.00 0.00 C ATOM 584 O ARG A 33 77.551 -2.073 4.667 1.00 0.00 O ATOM 585 CB ARG A 33 77.183 -1.961 7.889 1.00 0.00 C ATOM 586 CG ARG A 33 76.245 -0.929 8.520 1.00 0.00 C ATOM 587 CD ARG A 33 76.834 -0.421 9.846 1.00 0.00 C ATOM 588 NE ARG A 33 77.061 -1.537 10.753 1.00 0.00 N ATOM 589 CZ ARG A 33 76.072 -2.040 11.481 1.00 0.00 C ATOM 590 NH1 ARG A 33 74.875 -1.522 11.401 1.00 0.00 N ATOM 591 NH2 ARG A 33 76.295 -3.049 12.275 1.00 0.00 N ATOM 0 H ARG A 33 77.774 0.502 7.928 1.00 0.00 H new ATOM 0 HA ARG A 33 79.007 -1.865 6.754 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.602 -2.745 7.404 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.783 -2.441 8.662 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.097 -0.094 7.835 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.266 -1.375 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.772 0.103 9.659 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.154 0.297 10.304 1.00 0.00 H new ATOM 0 HE ARG A 33 77.995 -1.939 10.830 1.00 0.00 H new ATOM 0 HH11 ARG A 33 74.702 -0.732 10.780 1.00 0.00 H new ATOM 0 HH12 ARG A 33 74.114 -1.908 11.960 1.00 0.00 H new ATOM 0 HH21 ARG A 33 77.230 -3.452 12.337 1.00 0.00 H new ATOM 0 HH22 ARG A 33 75.535 -3.435 12.834 1.00 0.00 H new ATOM 605 N ASP A 34 76.598 -0.141 5.327 1.00 0.00 N ATOM 606 CA ASP A 34 75.866 0.046 4.078 1.00 0.00 C ATOM 607 C ASP A 34 75.219 1.432 4.033 1.00 0.00 C ATOM 608 O ASP A 34 75.382 2.228 4.961 1.00 0.00 O ATOM 609 CB ASP A 34 74.795 -1.037 3.948 1.00 0.00 C ATOM 610 CG ASP A 34 73.616 -0.721 4.861 1.00 0.00 C ATOM 611 OD1 ASP A 34 73.655 -1.122 6.014 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.696 -0.072 4.400 1.00 0.00 O ATOM 0 H ASP A 34 76.450 0.594 6.019 1.00 0.00 H new ATOM 0 HA ASP A 34 76.565 -0.032 3.245 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.457 -1.102 2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 34 75.216 -2.008 4.208 1.00 0.00 H new ATOM 617 N GLU A 35 74.495 1.713 2.944 1.00 0.00 N ATOM 618 CA GLU A 35 73.839 3.014 2.763 1.00 0.00 C ATOM 619 C GLU A 35 73.056 3.410 4.001 1.00 0.00 C ATOM 620 O GLU A 35 72.983 4.591 4.342 1.00 0.00 O ATOM 621 CB GLU A 35 72.889 2.961 1.573 1.00 0.00 C ATOM 622 CG GLU A 35 73.695 2.894 0.279 1.00 0.00 C ATOM 623 CD GLU A 35 72.745 2.844 -0.910 1.00 0.00 C ATOM 624 OE1 GLU A 35 71.549 2.764 -0.681 1.00 0.00 O ATOM 625 OE2 GLU A 35 73.225 2.887 -2.030 1.00 0.00 O ATOM 0 H GLU A 35 74.348 1.059 2.175 1.00 0.00 H new ATOM 0 HA GLU A 35 74.618 3.756 2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.237 2.091 1.653 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.246 3.841 1.568 1.00 0.00 H new ATOM 0 HG2 GLU A 35 74.348 3.763 0.200 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.336 2.013 0.283 1.00 0.00 H new ATOM 632 N ILE A 36 72.460 2.437 4.661 1.00 0.00 N ATOM 633 CA ILE A 36 71.669 2.719 5.844 1.00 0.00 C ATOM 634 C ILE A 36 72.489 3.485 6.879 1.00 0.00 C ATOM 635 O ILE A 36 72.033 4.500 7.404 1.00 0.00 O ATOM 636 CB ILE A 36 71.212 1.391 6.457 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.178 0.722 5.546 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.589 1.642 7.831 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.007 -0.742 5.962 1.00 0.00 C ATOM 0 H ILE A 36 72.507 1.452 4.402 1.00 0.00 H new ATOM 0 HA ILE A 36 70.813 3.330 5.557 1.00 0.00 H new ATOM 0 HB ILE A 36 72.077 0.736 6.563 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.224 1.245 5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.500 0.781 4.506 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.266 0.695 8.262 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.327 2.106 8.486 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.730 2.305 7.725 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.272 -1.221 5.315 1.00 0.00 H new ATOM 0 HD12 ILE A 36 70.962 -1.260 5.871 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.666 -0.789 6.996 1.00 0.00 H new ATOM 651 N GLU A 37 73.692 3.002 7.174 1.00 0.00 N ATOM 652 CA GLU A 37 74.545 3.664 8.158 1.00 0.00 C ATOM 653 C GLU A 37 75.011 5.024 7.650 1.00 0.00 C ATOM 654 O GLU A 37 75.039 6.000 8.399 1.00 0.00 O ATOM 655 CB GLU A 37 75.757 2.784 8.475 1.00 0.00 C ATOM 656 CG GLU A 37 76.585 3.406 9.604 1.00 0.00 C ATOM 657 CD GLU A 37 75.773 3.418 10.893 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.838 2.639 10.987 1.00 0.00 O ATOM 659 OE2 GLU A 37 76.095 4.204 11.767 1.00 0.00 O ATOM 0 H GLU A 37 74.095 2.165 6.753 1.00 0.00 H new ATOM 0 HA GLU A 37 73.962 3.818 9.066 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.425 1.787 8.765 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.374 2.668 7.584 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.505 2.839 9.748 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.876 4.422 9.337 1.00 0.00 H new ATOM 666 N TYR A 38 75.376 5.079 6.378 1.00 0.00 N ATOM 667 CA TYR A 38 75.841 6.325 5.782 1.00 0.00 C ATOM 668 C TYR A 38 74.780 7.398 5.871 1.00 0.00 C ATOM 669 O TYR A 38 75.070 8.534 6.248 1.00 0.00 O ATOM 670 CB TYR A 38 76.221 6.108 4.327 1.00 0.00 C ATOM 671 CG TYR A 38 76.475 7.438 3.666 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.601 8.185 4.021 1.00 0.00 C ATOM 673 CD2 TYR A 38 75.593 7.919 2.691 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.852 9.412 3.400 1.00 0.00 C ATOM 675 CE2 TYR A 38 75.842 9.150 2.071 1.00 0.00 C ATOM 676 CZ TYR A 38 76.972 9.896 2.426 1.00 0.00 C ATOM 677 OH TYR A 38 77.219 11.107 1.812 1.00 0.00 O ATOM 0 H TYR A 38 75.360 4.282 5.741 1.00 0.00 H new ATOM 0 HA TYR A 38 76.718 6.653 6.340 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.112 5.483 4.263 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.422 5.579 3.807 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.278 7.814 4.776 1.00 0.00 H new ATOM 0 HD2 TYR A 38 74.722 7.342 2.417 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.725 9.986 3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.162 9.524 1.319 1.00 0.00 H new ATOM 0 HH TYR A 38 76.511 11.294 1.160 1.00 0.00 H new ATOM 687 N LYS A 39 73.551 7.050 5.512 1.00 0.00 N ATOM 688 CA LYS A 39 72.469 8.013 5.553 1.00 0.00 C ATOM 689 C LYS A 39 72.253 8.545 6.962 1.00 0.00 C ATOM 690 O LYS A 39 72.027 9.738 7.151 1.00 0.00 O ATOM 691 CB LYS A 39 71.181 7.352 5.065 1.00 0.00 C ATOM 692 CG LYS A 39 71.260 7.123 3.556 1.00 0.00 C ATOM 693 CD LYS A 39 69.984 6.425 3.083 1.00 0.00 C ATOM 694 CE LYS A 39 70.030 6.256 1.564 1.00 0.00 C ATOM 695 NZ LYS A 39 68.796 5.559 1.102 1.00 0.00 N ATOM 0 H LYS A 39 73.285 6.118 5.193 1.00 0.00 H new ATOM 0 HA LYS A 39 72.736 8.849 4.906 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.030 6.403 5.579 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.324 7.983 5.303 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.381 8.074 3.038 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.132 6.515 3.314 1.00 0.00 H new ATOM 0 HD2 LYS A 39 69.888 5.452 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.109 7.010 3.368 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.112 7.230 1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.912 5.683 1.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.828 5.444 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.736 4.623 1.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 67.961 6.122 1.362 1.00 0.00 H new ATOM 709 N GLN A 40 72.315 7.659 7.945 1.00 0.00 N ATOM 710 CA GLN A 40 72.116 8.070 9.326 1.00 0.00 C ATOM 711 C GLN A 40 73.208 9.036 9.770 1.00 0.00 C ATOM 712 O GLN A 40 72.932 10.035 10.433 1.00 0.00 O ATOM 713 CB GLN A 40 72.126 6.840 10.239 1.00 0.00 C ATOM 714 CG GLN A 40 70.870 5.995 10.000 1.00 0.00 C ATOM 715 CD GLN A 40 69.626 6.762 10.439 1.00 0.00 C ATOM 716 OE1 GLN A 40 69.603 7.336 11.527 1.00 0.00 O ATOM 717 NE2 GLN A 40 68.586 6.805 9.653 1.00 0.00 N ATOM 0 H GLN A 40 72.499 6.664 7.815 1.00 0.00 H new ATOM 0 HA GLN A 40 71.153 8.576 9.396 1.00 0.00 H new ATOM 0 HB2 GLN A 40 73.017 6.243 10.047 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.170 7.152 11.282 1.00 0.00 H new ATOM 0 HG2 GLN A 40 70.793 5.736 8.944 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.942 5.058 10.553 1.00 0.00 H new ATOM 0 HE21 GLN A 40 68.608 6.328 8.752 1.00 0.00 H new ATOM 0 HE22 GLN A 40 67.751 7.315 9.940 1.00 0.00 H new ATOM 726 N VAL A 41 74.449 8.738 9.403 1.00 0.00 N ATOM 727 CA VAL A 41 75.571 9.585 9.784 1.00 0.00 C ATOM 728 C VAL A 41 75.427 10.986 9.206 1.00 0.00 C ATOM 729 O VAL A 41 75.635 11.980 9.901 1.00 0.00 O ATOM 730 CB VAL A 41 76.873 8.965 9.285 1.00 0.00 C ATOM 731 CG1 VAL A 41 78.021 9.948 9.508 1.00 0.00 C ATOM 732 CG2 VAL A 41 77.147 7.668 10.051 1.00 0.00 C ATOM 0 H VAL A 41 74.702 7.922 8.846 1.00 0.00 H new ATOM 0 HA VAL A 41 75.584 9.661 10.871 1.00 0.00 H new ATOM 0 HB VAL A 41 76.789 8.744 8.221 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.952 9.507 9.152 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.823 10.869 8.960 1.00 0.00 H new ATOM 0 HG13 VAL A 41 78.108 10.170 10.571 1.00 0.00 H new ATOM 0 HG21 VAL A 41 78.077 7.225 9.695 1.00 0.00 H new ATOM 0 HG22 VAL A 41 77.233 7.885 11.116 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.326 6.969 9.889 1.00 0.00 H new ATOM 742 N LYS A 42 75.079 11.059 7.931 1.00 0.00 N ATOM 743 CA LYS A 42 74.920 12.345 7.272 1.00 0.00 C ATOM 744 C LYS A 42 73.461 12.789 7.306 1.00 0.00 C ATOM 745 O LYS A 42 73.120 13.863 6.809 1.00 0.00 O ATOM 746 CB LYS A 42 75.410 12.253 5.823 1.00 0.00 C ATOM 747 CG LYS A 42 76.903 11.903 5.795 1.00 0.00 C ATOM 748 CD LYS A 42 77.748 13.164 5.998 1.00 0.00 C ATOM 749 CE LYS A 42 79.229 12.811 5.860 1.00 0.00 C ATOM 750 NZ LYS A 42 80.049 14.036 6.073 1.00 0.00 N ATOM 0 H LYS A 42 74.902 10.250 7.336 1.00 0.00 H new ATOM 0 HA LYS A 42 75.517 13.085 7.804 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.840 11.495 5.285 1.00 0.00 H new ATOM 0 HB3 LYS A 42 75.241 13.201 5.312 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.128 11.177 6.576 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.156 11.436 4.843 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.473 13.921 5.264 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.555 13.590 6.982 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.502 12.046 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.425 12.396 4.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.942 13.952 5.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.524 14.868 5.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.255 14.144 7.087 1.00 0.00 H new ATOM 764 N GLN A 43 72.601 11.964 7.900 1.00 0.00 N ATOM 765 CA GLN A 43 71.187 12.307 7.989 1.00 0.00 C ATOM 766 C GLN A 43 70.638 12.711 6.620 1.00 0.00 C ATOM 767 O GLN A 43 70.017 13.764 6.480 1.00 0.00 O ATOM 768 CB GLN A 43 70.993 13.457 8.976 1.00 0.00 C ATOM 769 CG GLN A 43 71.495 13.033 10.356 1.00 0.00 C ATOM 770 CD GLN A 43 70.589 11.948 10.927 1.00 0.00 C ATOM 771 OE1 GLN A 43 69.438 11.817 10.511 1.00 0.00 O ATOM 772 NE2 GLN A 43 71.040 11.159 11.864 1.00 0.00 N ATOM 0 H GLN A 43 72.854 11.069 8.319 1.00 0.00 H new ATOM 0 HA GLN A 43 70.643 11.429 8.338 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.535 14.339 8.635 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.939 13.731 9.029 1.00 0.00 H new ATOM 0 HG2 GLN A 43 72.518 12.663 10.283 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.514 13.893 11.026 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.994 11.269 12.208 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.438 10.433 12.252 1.00 0.00 H new ATOM 781 N VAL A 44 70.869 11.865 5.617 1.00 0.00 N ATOM 782 CA VAL A 44 70.395 12.139 4.261 1.00 0.00 C ATOM 783 C VAL A 44 69.625 10.942 3.718 1.00 0.00 C ATOM 784 O VAL A 44 69.418 9.956 4.423 1.00 0.00 O ATOM 785 CB VAL A 44 71.566 12.451 3.330 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.299 13.700 3.821 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.532 11.272 3.327 1.00 0.00 C ATOM 0 H VAL A 44 71.379 10.988 5.717 1.00 0.00 H new ATOM 0 HA VAL A 44 69.736 13.006 4.304 1.00 0.00 H new ATOM 0 HB VAL A 44 71.189 12.626 2.322 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.133 13.918 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.611 14.545 3.831 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.676 13.528 4.829 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.369 11.489 2.664 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.904 11.103 4.338 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.015 10.379 2.977 1.00 0.00 H new ATOM 797 N ALA A 45 69.191 11.042 2.467 1.00 0.00 N ATOM 798 CA ALA A 45 68.433 9.963 1.842 1.00 0.00 C ATOM 799 C ALA A 45 68.930 9.698 0.423 1.00 0.00 C ATOM 800 O ALA A 45 68.218 9.116 -0.395 1.00 0.00 O ATOM 801 CB ALA A 45 66.951 10.327 1.811 1.00 0.00 C ATOM 0 H ALA A 45 69.349 11.853 1.869 1.00 0.00 H new ATOM 0 HA ALA A 45 68.575 9.056 2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.388 9.519 1.344 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.592 10.478 2.829 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.813 11.244 1.238 1.00 0.00 H new ATOM 807 N MET A 46 70.153 10.129 0.139 1.00 0.00 N ATOM 808 CA MET A 46 70.737 9.934 -1.182 1.00 0.00 C ATOM 809 C MET A 46 72.256 10.011 -1.110 1.00 0.00 C ATOM 810 O MET A 46 72.808 10.811 -0.353 1.00 0.00 O ATOM 811 CB MET A 46 70.215 10.998 -2.149 1.00 0.00 C ATOM 812 CG MET A 46 69.233 10.365 -3.138 1.00 0.00 C ATOM 813 SD MET A 46 68.660 11.621 -4.308 1.00 0.00 S ATOM 814 CE MET A 46 67.305 12.277 -3.303 1.00 0.00 C ATOM 0 H MET A 46 70.757 10.614 0.803 1.00 0.00 H new ATOM 0 HA MET A 46 70.450 8.946 -1.543 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.722 11.796 -1.594 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.047 11.451 -2.688 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.716 9.548 -3.673 1.00 0.00 H new ATOM 0 HG3 MET A 46 68.385 9.938 -2.602 1.00 0.00 H new ATOM 0 HE1 MET A 46 66.805 13.079 -3.846 1.00 0.00 H new ATOM 0 HE2 MET A 46 66.590 11.481 -3.092 1.00 0.00 H new ATOM 0 HE3 MET A 46 67.703 12.666 -2.365 1.00 0.00 H new ATOM 824 N VAL A 47 72.928 9.177 -1.898 1.00 0.00 N ATOM 825 CA VAL A 47 74.384 9.159 -1.913 1.00 0.00 C ATOM 826 C VAL A 47 74.892 9.606 -3.281 1.00 0.00 C ATOM 827 O VAL A 47 74.381 9.164 -4.309 1.00 0.00 O ATOM 828 CB VAL A 47 74.887 7.747 -1.619 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.396 7.784 -1.350 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.147 7.188 -0.405 1.00 0.00 C ATOM 0 H VAL A 47 72.489 8.509 -2.531 1.00 0.00 H new ATOM 0 HA VAL A 47 74.756 9.841 -1.149 1.00 0.00 H new ATOM 0 HB VAL A 47 74.699 7.103 -2.478 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.753 6.776 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.912 8.177 -2.226 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.597 8.426 -0.492 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.504 6.180 -0.193 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.330 7.827 0.459 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.077 7.157 -0.613 1.00 0.00 H new ATOM 840 N ASP A 48 75.885 10.487 -3.291 1.00 0.00 N ATOM 841 CA ASP A 48 76.441 10.981 -4.547 1.00 0.00 C ATOM 842 C ASP A 48 77.199 9.873 -5.273 1.00 0.00 C ATOM 843 O ASP A 48 77.966 9.130 -4.661 1.00 0.00 O ATOM 844 CB ASP A 48 77.385 12.152 -4.270 1.00 0.00 C ATOM 845 CG ASP A 48 76.579 13.386 -3.880 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.369 13.357 -4.044 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.180 14.345 -3.428 1.00 0.00 O ATOM 0 H ASP A 48 76.319 10.872 -2.452 1.00 0.00 H new ATOM 0 HA ASP A 48 75.620 11.316 -5.181 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.077 11.891 -3.470 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.986 12.364 -5.155 1.00 0.00 H new ATOM 852 N ARG A 49 76.979 9.763 -6.580 1.00 0.00 N ATOM 853 CA ARG A 49 77.656 8.738 -7.366 1.00 0.00 C ATOM 854 C ARG A 49 77.960 9.261 -8.763 1.00 0.00 C ATOM 855 O ARG A 49 77.464 10.319 -9.154 1.00 0.00 O ATOM 856 CB ARG A 49 76.779 7.491 -7.472 1.00 0.00 C ATOM 857 CG ARG A 49 76.334 7.066 -6.075 1.00 0.00 C ATOM 858 CD ARG A 49 75.589 5.737 -6.151 1.00 0.00 C ATOM 859 NE ARG A 49 74.984 5.425 -4.865 1.00 0.00 N ATOM 860 CZ ARG A 49 75.683 4.833 -3.905 1.00 0.00 C ATOM 861 NH1 ARG A 49 76.934 4.519 -4.106 1.00 0.00 N ATOM 862 NH2 ARG A 49 75.119 4.562 -2.762 1.00 0.00 N ATOM 0 H ARG A 49 76.346 10.362 -7.111 1.00 0.00 H new ATOM 0 HA ARG A 49 78.590 8.481 -6.867 1.00 0.00 H new ATOM 0 HB2 ARG A 49 75.909 7.696 -8.096 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.332 6.683 -7.951 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.201 6.970 -5.421 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.689 7.830 -5.641 1.00 0.00 H new ATOM 0 HD2 ARG A 49 74.819 5.787 -6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 49 76.277 4.942 -6.440 1.00 0.00 H new ATOM 0 HE ARG A 49 74.007 5.665 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 49 77.375 4.729 -5.002 1.00 0.00 H new ATOM 0 HH12 ARG A 49 77.471 4.064 -3.367 1.00 0.00 H new ATOM 0 HH21 ARG A 49 74.141 4.805 -2.606 1.00 0.00 H new ATOM 0 HH22 ARG A 49 75.656 4.107 -2.024 1.00 0.00 H new ATOM 876 N TRP A 50 78.770 8.523 -9.521 1.00 0.00 N ATOM 877 CA TRP A 50 79.105 8.956 -10.879 1.00 0.00 C ATOM 878 C TRP A 50 78.194 8.287 -11.910 1.00 0.00 C ATOM 879 O TRP A 50 77.901 7.107 -11.798 1.00 0.00 O ATOM 880 CB TRP A 50 80.550 8.618 -11.209 1.00 0.00 C ATOM 881 CG TRP A 50 81.443 9.359 -10.277 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.682 9.023 -8.989 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.226 10.553 -10.544 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.553 9.948 -8.445 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.922 10.907 -9.367 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.395 11.359 -11.684 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.758 12.023 -9.322 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.238 12.481 -11.643 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.917 12.812 -10.464 1.00 0.00 C ATOM 0 H TRP A 50 79.198 7.644 -9.229 1.00 0.00 H new ATOM 0 HA TRP A 50 78.962 10.036 -10.920 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.717 7.545 -11.117 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.774 8.888 -12.241 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.262 8.173 -8.472 1.00 0.00 H new ATOM 0 HE1 TRP A 50 82.883 9.925 -7.480 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.873 11.113 -12.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.279 12.275 -8.410 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.363 13.092 -12.525 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.563 13.677 -10.437 1.00 0.00 H new ATOM 900 N PRO A 51 77.747 8.996 -12.916 1.00 0.00 N ATOM 901 CA PRO A 51 76.845 8.411 -13.958 1.00 0.00 C ATOM 902 C PRO A 51 77.516 7.314 -14.784 1.00 0.00 C ATOM 903 O PRO A 51 76.851 6.396 -15.265 1.00 0.00 O ATOM 904 CB PRO A 51 76.498 9.606 -14.845 1.00 0.00 C ATOM 905 CG PRO A 51 77.612 10.576 -14.636 1.00 0.00 C ATOM 906 CD PRO A 51 78.048 10.412 -13.193 1.00 0.00 C ATOM 0 HA PRO A 51 75.979 7.927 -13.506 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.422 9.312 -15.892 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.538 10.040 -14.565 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.438 10.374 -15.318 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.282 11.596 -14.830 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.108 10.632 -13.064 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.500 11.079 -12.527 1.00 0.00 H new ATOM 914 N GLU A 52 78.823 7.440 -14.975 1.00 0.00 N ATOM 915 CA GLU A 52 79.554 6.472 -15.786 1.00 0.00 C ATOM 916 C GLU A 52 79.407 5.064 -15.222 1.00 0.00 C ATOM 917 O GLU A 52 79.082 4.128 -15.955 1.00 0.00 O ATOM 918 CB GLU A 52 81.036 6.846 -15.817 1.00 0.00 C ATOM 919 CG GLU A 52 81.802 5.867 -16.711 1.00 0.00 C ATOM 920 CD GLU A 52 83.266 6.274 -16.789 1.00 0.00 C ATOM 921 OE1 GLU A 52 83.909 6.301 -15.753 1.00 0.00 O ATOM 922 OE2 GLU A 52 83.726 6.554 -17.884 1.00 0.00 O ATOM 0 H GLU A 52 79.393 8.191 -14.586 1.00 0.00 H new ATOM 0 HA GLU A 52 79.140 6.490 -16.794 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.156 7.863 -16.191 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.446 6.827 -14.807 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.717 4.856 -16.314 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.365 5.855 -17.710 1.00 0.00 H new ATOM 929 N THR A 53 79.673 4.915 -13.930 1.00 0.00 N ATOM 930 CA THR A 53 79.591 3.610 -13.288 1.00 0.00 C ATOM 931 C THR A 53 78.540 3.592 -12.186 1.00 0.00 C ATOM 932 O THR A 53 77.940 2.552 -11.917 1.00 0.00 O ATOM 933 CB THR A 53 80.942 3.264 -12.674 1.00 0.00 C ATOM 934 OG1 THR A 53 81.298 4.291 -11.761 1.00 0.00 O ATOM 935 CG2 THR A 53 82.014 3.151 -13.761 1.00 0.00 C ATOM 0 H THR A 53 79.946 5.677 -13.310 1.00 0.00 H new ATOM 0 HA THR A 53 79.311 2.881 -14.049 1.00 0.00 H new ATOM 0 HB THR A 53 80.872 2.305 -12.160 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.297 3.932 -10.849 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.972 2.903 -13.303 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.736 2.368 -14.466 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.099 4.101 -14.289 1.00 0.00 H new ATOM 943 N GLY A 54 78.322 4.731 -11.537 1.00 0.00 N ATOM 944 CA GLY A 54 77.343 4.777 -10.457 1.00 0.00 C ATOM 945 C GLY A 54 77.977 4.400 -9.127 1.00 0.00 C ATOM 946 O GLY A 54 77.282 4.010 -8.198 1.00 0.00 O ATOM 0 H GLY A 54 78.796 5.613 -11.732 1.00 0.00 H new ATOM 0 HA2 GLY A 54 76.918 5.778 -10.390 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.521 4.096 -10.678 1.00 0.00 H new ATOM 950 N TYR A 55 79.297 4.505 -9.038 1.00 0.00 N ATOM 951 CA TYR A 55 79.976 4.165 -7.795 1.00 0.00 C ATOM 952 C TYR A 55 79.928 5.331 -6.817 1.00 0.00 C ATOM 953 O TYR A 55 79.628 6.460 -7.205 1.00 0.00 O ATOM 954 CB TYR A 55 81.433 3.783 -8.060 1.00 0.00 C ATOM 955 CG TYR A 55 81.528 2.401 -8.676 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.954 1.297 -8.035 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.192 2.224 -9.898 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.043 0.031 -8.608 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.273 0.948 -10.473 1.00 0.00 C ATOM 960 CZ TYR A 55 81.696 -0.145 -9.825 1.00 0.00 C ATOM 961 OH TYR A 55 81.768 -1.403 -10.387 1.00 0.00 O ATOM 0 H TYR A 55 79.907 4.816 -9.794 1.00 0.00 H new ATOM 0 HA TYR A 55 79.458 3.312 -7.357 1.00 0.00 H new ATOM 0 HB2 TYR A 55 81.889 4.515 -8.727 1.00 0.00 H new ATOM 0 HB3 TYR A 55 81.995 3.809 -7.126 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.441 1.427 -7.094 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.641 3.070 -10.396 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.603 -0.818 -8.106 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.781 0.811 -11.416 1.00 0.00 H new ATOM 0 HH TYR A 55 82.673 -1.761 -10.272 1.00 0.00 H new ATOM 971 N VAL A 56 80.215 5.038 -5.546 1.00 0.00 N ATOM 972 CA VAL A 56 80.190 6.061 -4.501 1.00 0.00 C ATOM 973 C VAL A 56 81.165 7.183 -4.831 1.00 0.00 C ATOM 974 O VAL A 56 82.350 6.943 -5.057 1.00 0.00 O ATOM 975 CB VAL A 56 80.581 5.443 -3.156 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.560 6.513 -2.063 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.597 4.332 -2.788 1.00 0.00 C ATOM 0 H VAL A 56 80.466 4.105 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 56 79.180 6.466 -4.443 1.00 0.00 H new ATOM 0 HB VAL A 56 81.586 5.029 -3.240 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.839 6.065 -1.110 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.268 7.303 -2.314 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.558 6.935 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.881 3.897 -1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.591 4.746 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.616 3.560 -3.557 1.00 0.00 H new ATOM 987 N LYS A 57 80.653 8.406 -4.847 1.00 0.00 N ATOM 988 CA LYS A 57 81.482 9.565 -5.142 1.00 0.00 C ATOM 989 C LYS A 57 82.347 9.929 -3.941 1.00 0.00 C ATOM 990 O LYS A 57 83.565 10.058 -4.051 1.00 0.00 O ATOM 991 CB LYS A 57 80.575 10.751 -5.528 1.00 0.00 C ATOM 992 CG LYS A 57 81.278 12.110 -5.327 1.00 0.00 C ATOM 993 CD LYS A 57 82.540 12.192 -6.184 1.00 0.00 C ATOM 994 CE LYS A 57 83.293 13.481 -5.863 1.00 0.00 C ATOM 995 NZ LYS A 57 82.468 14.644 -6.288 1.00 0.00 N ATOM 0 H LYS A 57 79.673 8.620 -4.660 1.00 0.00 H new ATOM 0 HA LYS A 57 82.145 9.327 -5.974 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.272 10.651 -6.570 1.00 0.00 H new ATOM 0 HB3 LYS A 57 79.666 10.722 -4.928 1.00 0.00 H new ATOM 0 HG2 LYS A 57 80.598 12.920 -5.592 1.00 0.00 H new ATOM 0 HG3 LYS A 57 81.536 12.241 -4.276 1.00 0.00 H new ATOM 0 HD2 LYS A 57 83.178 11.329 -5.994 1.00 0.00 H new ATOM 0 HD3 LYS A 57 82.276 12.166 -7.241 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.502 13.538 -4.795 1.00 0.00 H new ATOM 0 HE3 LYS A 57 84.254 13.493 -6.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 83.063 15.496 -6.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 82.065 14.458 -7.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.698 14.792 -5.604 1.00 0.00 H new ATOM 1009 N LYS A 58 81.698 10.105 -2.799 1.00 0.00 N ATOM 1010 CA LYS A 58 82.403 10.476 -1.581 1.00 0.00 C ATOM 1011 C LYS A 58 81.776 9.795 -0.379 1.00 0.00 C ATOM 1012 O LYS A 58 80.562 9.610 -0.328 1.00 0.00 O ATOM 1013 CB LYS A 58 82.338 11.998 -1.401 1.00 0.00 C ATOM 1014 CG LYS A 58 80.880 12.440 -1.200 1.00 0.00 C ATOM 1015 CD LYS A 58 80.809 13.970 -1.135 1.00 0.00 C ATOM 1016 CE LYS A 58 79.358 14.405 -0.912 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.282 15.895 -0.885 1.00 0.00 N ATOM 0 H LYS A 58 80.690 9.998 -2.690 1.00 0.00 H new ATOM 0 HA LYS A 58 83.442 10.157 -1.661 1.00 0.00 H new ATOM 0 HB2 LYS A 58 82.939 12.297 -0.543 1.00 0.00 H new ATOM 0 HB3 LYS A 58 82.760 12.494 -2.275 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.262 12.072 -2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.482 12.008 -0.282 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.439 14.340 -0.326 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.191 14.402 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 58 78.724 14.013 -1.707 1.00 0.00 H new ATOM 0 HE3 LYS A 58 78.984 13.994 0.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.296 16.190 -0.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.875 16.259 -0.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 79.622 16.276 -1.791 1.00 0.00 H new ATOM 1031 N LEU A 59 82.605 9.437 0.591 1.00 0.00 N ATOM 1032 CA LEU A 59 82.110 8.782 1.792 1.00 0.00 C ATOM 1033 C LEU A 59 82.940 9.202 2.996 1.00 0.00 C ATOM 1034 O LEU A 59 84.168 9.121 2.974 1.00 0.00 O ATOM 1035 CB LEU A 59 82.215 7.268 1.632 1.00 0.00 C ATOM 1036 CG LEU A 59 80.973 6.568 2.164 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.725 6.987 1.379 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.144 5.054 2.055 1.00 0.00 C ATOM 0 H LEU A 59 83.614 9.587 0.571 1.00 0.00 H new ATOM 0 HA LEU A 59 81.070 9.072 1.943 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.352 7.020 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.095 6.904 2.162 1.00 0.00 H new ATOM 0 HG LEU A 59 80.846 6.856 3.207 1.00 0.00 H new ATOM 0 HD11 LEU A 59 78.853 6.472 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.583 8.064 1.469 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.850 6.724 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.252 4.559 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.292 4.779 1.011 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.010 4.743 2.639 1.00 0.00 H new ATOM 1050 N GLN A 60 82.266 9.649 4.046 1.00 0.00 N ATOM 1051 CA GLN A 60 82.957 10.079 5.255 1.00 0.00 C ATOM 1052 C GLN A 60 83.326 8.880 6.128 1.00 0.00 C ATOM 1053 O GLN A 60 82.520 7.978 6.336 1.00 0.00 O ATOM 1054 CB GLN A 60 82.067 11.022 6.056 1.00 0.00 C ATOM 1055 CG GLN A 60 82.895 11.709 7.142 1.00 0.00 C ATOM 1056 CD GLN A 60 81.971 12.266 8.217 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.985 11.624 8.581 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.235 13.421 8.758 1.00 0.00 N ATOM 0 H GLN A 60 81.250 9.723 4.087 1.00 0.00 H new ATOM 0 HA GLN A 60 83.870 10.594 4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.623 11.768 5.396 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.245 10.467 6.508 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.595 10.999 7.583 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.488 12.513 6.706 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.052 13.951 8.455 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.625 13.795 9.485 1.00 0.00 H new ATOM 1067 N ARG A 61 84.551 8.874 6.630 1.00 0.00 N ATOM 1068 CA ARG A 61 85.004 7.772 7.470 1.00 0.00 C ATOM 1069 C ARG A 61 84.429 7.893 8.879 1.00 0.00 C ATOM 1070 O ARG A 61 83.934 8.950 9.270 1.00 0.00 O ATOM 1071 CB ARG A 61 86.529 7.743 7.544 1.00 0.00 C ATOM 1072 CG ARG A 61 87.108 7.841 6.135 1.00 0.00 C ATOM 1073 CD ARG A 61 88.368 6.980 6.039 1.00 0.00 C ATOM 1074 NE ARG A 61 89.319 7.358 7.075 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.331 6.560 7.398 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.488 5.422 6.777 1.00 0.00 N ATOM 1077 NH2 ARG A 61 91.166 6.912 8.336 1.00 0.00 N ATOM 0 H ARG A 61 85.242 9.608 6.475 1.00 0.00 H new ATOM 0 HA ARG A 61 84.650 6.844 7.021 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.890 8.570 8.156 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.863 6.823 8.023 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.371 7.508 5.404 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.345 8.878 5.899 1.00 0.00 H new ATOM 0 HD2 ARG A 61 88.106 5.927 6.143 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.824 7.099 5.056 1.00 0.00 H new ATOM 0 HE ARG A 61 89.207 8.248 7.560 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.834 5.146 6.044 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.265 4.809 7.024 1.00 0.00 H new ATOM 0 HH21 ARG A 61 91.042 7.800 8.822 1.00 0.00 H new ATOM 0 HH22 ARG A 61 91.943 6.299 8.584 1.00 0.00 H new ATOM 1091 N ARG A 62 84.508 6.804 9.638 1.00 0.00 N ATOM 1092 CA ARG A 62 84.002 6.802 11.006 1.00 0.00 C ATOM 1093 C ARG A 62 84.802 7.776 11.858 1.00 0.00 C ATOM 1094 O ARG A 62 84.470 8.028 13.016 1.00 0.00 O ATOM 1095 CB ARG A 62 84.089 5.399 11.613 1.00 0.00 C ATOM 1096 CG ARG A 62 82.686 4.804 11.747 1.00 0.00 C ATOM 1097 CD ARG A 62 82.771 3.456 12.459 1.00 0.00 C ATOM 1098 NE ARG A 62 81.492 2.762 12.379 1.00 0.00 N ATOM 1099 CZ ARG A 62 81.316 1.576 12.952 1.00 0.00 C ATOM 1100 NH1 ARG A 62 82.293 1.021 13.616 1.00 0.00 N ATOM 1101 NH2 ARG A 62 80.166 0.969 12.851 1.00 0.00 N ATOM 0 H ARG A 62 84.914 5.919 9.332 1.00 0.00 H new ATOM 0 HA ARG A 62 82.957 7.111 10.985 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.707 4.758 10.984 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.569 5.445 12.590 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.043 5.483 12.307 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.237 4.679 10.762 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.553 2.846 12.006 1.00 0.00 H new ATOM 0 HD3 ARG A 62 83.047 3.605 13.503 1.00 0.00 H new ATOM 0 HE ARG A 62 80.718 3.194 11.874 1.00 0.00 H new ATOM 0 HH11 ARG A 62 83.191 1.498 13.695 1.00 0.00 H new ATOM 0 HH12 ARG A 62 82.158 0.111 14.056 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.403 1.405 12.333 1.00 0.00 H new ATOM 0 HH22 ARG A 62 80.030 0.059 13.290 1.00 0.00 H new ATOM 1115 N ASP A 63 85.856 8.323 11.267 1.00 0.00 N ATOM 1116 CA ASP A 63 86.703 9.275 11.967 1.00 0.00 C ATOM 1117 C ASP A 63 86.341 10.707 11.597 1.00 0.00 C ATOM 1118 O ASP A 63 87.051 11.638 11.970 1.00 0.00 O ATOM 1119 CB ASP A 63 88.167 9.018 11.635 1.00 0.00 C ATOM 1120 CG ASP A 63 88.616 7.694 12.244 1.00 0.00 C ATOM 1121 OD1 ASP A 63 89.056 7.709 13.382 1.00 0.00 O ATOM 1122 OD2 ASP A 63 88.514 6.685 11.566 1.00 0.00 O ATOM 0 H ASP A 63 86.143 8.124 10.309 1.00 0.00 H new ATOM 0 HA ASP A 63 86.543 9.142 13.037 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.305 8.996 10.554 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.783 9.831 12.018 1.00 0.00 H new ATOM 1127 N ASN A 64 85.241 10.885 10.861 1.00 0.00 N ATOM 1128 CA ASN A 64 84.797 12.212 10.449 1.00 0.00 C ATOM 1129 C ASN A 64 85.657 12.735 9.308 1.00 0.00 C ATOM 1130 O ASN A 64 85.391 13.802 8.755 1.00 0.00 O ATOM 1131 CB ASN A 64 84.840 13.189 11.626 1.00 0.00 C ATOM 1132 CG ASN A 64 84.419 12.472 12.904 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.610 11.546 12.861 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.912 12.860 14.044 1.00 0.00 N ATOM 0 H ASN A 64 84.643 10.124 10.540 1.00 0.00 H new ATOM 0 HA ASN A 64 83.767 12.129 10.103 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.846 13.594 11.739 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.177 14.033 11.435 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.628 12.396 14.907 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.582 13.628 14.075 1.00 0.00 H new ATOM 1141 N THR A 65 86.679 11.972 8.949 1.00 0.00 N ATOM 1142 CA THR A 65 87.557 12.371 7.859 1.00 0.00 C ATOM 1143 C THR A 65 86.889 12.082 6.518 1.00 0.00 C ATOM 1144 O THR A 65 86.396 10.978 6.287 1.00 0.00 O ATOM 1145 CB THR A 65 88.878 11.608 7.952 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.614 10.218 8.100 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.675 12.113 9.155 1.00 0.00 C ATOM 0 H THR A 65 86.919 11.084 9.390 1.00 0.00 H new ATOM 0 HA THR A 65 87.753 13.440 7.936 1.00 0.00 H new ATOM 0 HB THR A 65 89.457 11.770 7.043 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.224 9.838 8.766 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.617 11.569 9.222 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.878 13.177 9.036 1.00 0.00 H new ATOM 0 HG23 THR A 65 89.099 11.953 10.066 1.00 0.00 H new ATOM 1155 N PHE A 66 86.863 13.080 5.640 1.00 0.00 N ATOM 1156 CA PHE A 66 86.240 12.909 4.336 1.00 0.00 C ATOM 1157 C PHE A 66 87.134 12.069 3.434 1.00 0.00 C ATOM 1158 O PHE A 66 88.315 12.373 3.266 1.00 0.00 O ATOM 1159 CB PHE A 66 86.012 14.278 3.689 1.00 0.00 C ATOM 1160 CG PHE A 66 84.963 15.037 4.465 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.609 14.879 4.148 1.00 0.00 C ATOM 1162 CD2 PHE A 66 85.344 15.899 5.499 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.635 15.582 4.867 1.00 0.00 C ATOM 1164 CE2 PHE A 66 84.370 16.604 6.217 1.00 0.00 C ATOM 1165 CZ PHE A 66 83.016 16.445 5.901 1.00 0.00 C ATOM 0 H PHE A 66 87.261 14.004 5.806 1.00 0.00 H new ATOM 0 HA PHE A 66 85.284 12.402 4.467 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.944 14.842 3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.694 14.154 2.654 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.316 14.215 3.349 1.00 0.00 H new ATOM 0 HD2 PHE A 66 86.389 16.021 5.743 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.590 15.458 4.624 1.00 0.00 H new ATOM 0 HE2 PHE A 66 84.664 17.270 7.015 1.00 0.00 H new ATOM 0 HZ PHE A 66 82.265 16.988 6.455 1.00 0.00 H new ATOM 1175 N PHE A 67 86.566 11.011 2.859 1.00 0.00 N ATOM 1176 CA PHE A 67 87.325 10.132 1.978 1.00 0.00 C ATOM 1177 C PHE A 67 86.661 10.060 0.609 1.00 0.00 C ATOM 1178 O PHE A 67 85.565 9.517 0.466 1.00 0.00 O ATOM 1179 CB PHE A 67 87.394 8.728 2.579 1.00 0.00 C ATOM 1180 CG PHE A 67 88.431 7.914 1.847 1.00 0.00 C ATOM 1181 CD1 PHE A 67 89.758 7.918 2.291 1.00 0.00 C ATOM 1182 CD2 PHE A 67 88.069 7.162 0.724 1.00 0.00 C ATOM 1183 CE1 PHE A 67 90.725 7.168 1.613 1.00 0.00 C ATOM 1184 CE2 PHE A 67 89.037 6.411 0.045 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.364 6.413 0.491 1.00 0.00 C ATOM 0 H PHE A 67 85.590 10.744 2.987 1.00 0.00 H new ATOM 0 HA PHE A 67 88.333 10.533 1.869 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.645 8.787 3.638 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.420 8.243 2.508 1.00 0.00 H new ATOM 0 HD1 PHE A 67 90.036 8.500 3.157 1.00 0.00 H new ATOM 0 HD2 PHE A 67 87.045 7.161 0.381 1.00 0.00 H new ATOM 0 HE1 PHE A 67 91.749 7.172 1.955 1.00 0.00 H new ATOM 0 HE2 PHE A 67 88.760 5.831 -0.822 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.110 5.832 -0.031 1.00 0.00 H new ATOM 1195 N TYR A 68 87.329 10.608 -0.397 1.00 0.00 N ATOM 1196 CA TYR A 68 86.787 10.594 -1.748 1.00 0.00 C ATOM 1197 C TYR A 68 87.104 9.266 -2.429 1.00 0.00 C ATOM 1198 O TYR A 68 88.222 8.760 -2.330 1.00 0.00 O ATOM 1199 CB TYR A 68 87.386 11.745 -2.558 1.00 0.00 C ATOM 1200 CG TYR A 68 86.933 13.064 -1.974 1.00 0.00 C ATOM 1201 CD1 TYR A 68 85.732 13.646 -2.401 1.00 0.00 C ATOM 1202 CD2 TYR A 68 87.714 13.704 -1.004 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.314 14.867 -1.857 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.296 14.925 -0.462 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.097 15.507 -0.887 1.00 0.00 C ATOM 1206 OH TYR A 68 85.685 16.709 -0.352 1.00 0.00 O ATOM 0 H TYR A 68 88.237 11.063 -0.305 1.00 0.00 H new ATOM 0 HA TYR A 68 85.705 10.715 -1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.474 11.685 -2.545 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.075 11.671 -3.600 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.129 13.153 -3.149 1.00 0.00 H new ATOM 0 HD2 TYR A 68 88.639 13.255 -0.674 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.388 15.315 -2.185 1.00 0.00 H new ATOM 0 HE2 TYR A 68 87.900 15.418 0.285 1.00 0.00 H new ATOM 0 HH TYR A 68 86.342 17.016 0.307 1.00 0.00 H new ATOM 1216 N TYR A 69 86.115 8.711 -3.123 1.00 0.00 N ATOM 1217 CA TYR A 69 86.297 7.444 -3.827 1.00 0.00 C ATOM 1218 C TYR A 69 86.404 7.677 -5.326 1.00 0.00 C ATOM 1219 O TYR A 69 85.846 8.637 -5.857 1.00 0.00 O ATOM 1220 CB TYR A 69 85.143 6.492 -3.521 1.00 0.00 C ATOM 1221 CG TYR A 69 85.375 5.834 -2.181 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.267 4.759 -2.089 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.697 6.282 -1.039 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.488 4.133 -0.857 1.00 0.00 C ATOM 1225 CE2 TYR A 69 84.919 5.651 0.195 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.814 4.579 0.284 1.00 0.00 C ATOM 1227 OH TYR A 69 86.032 3.962 1.498 1.00 0.00 O ATOM 0 H TYR A 69 85.183 9.116 -3.213 1.00 0.00 H new ATOM 0 HA TYR A 69 87.225 6.989 -3.480 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.200 7.038 -3.512 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.065 5.735 -4.301 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.786 4.412 -2.971 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.006 7.109 -1.108 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.179 3.306 -0.788 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.398 5.993 1.077 1.00 0.00 H new ATOM 0 HH TYR A 69 85.201 3.544 1.806 1.00 0.00 H new ATOM 1237 N ASN A 70 87.116 6.784 -6.010 1.00 0.00 N ATOM 1238 CA ASN A 70 87.282 6.887 -7.453 1.00 0.00 C ATOM 1239 C ASN A 70 86.388 5.890 -8.189 1.00 0.00 C ATOM 1240 O ASN A 70 86.461 4.679 -7.955 1.00 0.00 O ATOM 1241 CB ASN A 70 88.742 6.651 -7.822 1.00 0.00 C ATOM 1242 CG ASN A 70 88.951 6.934 -9.301 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.522 7.972 -9.805 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.586 6.063 -10.034 1.00 0.00 N ATOM 0 H ASN A 70 87.585 5.983 -5.587 1.00 0.00 H new ATOM 0 HA ASN A 70 86.986 7.891 -7.758 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.387 7.296 -7.224 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.022 5.622 -7.596 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.729 6.241 -11.028 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.940 5.204 -9.613 1.00 0.00 H new ATOM 1251 N LYS A 71 85.558 6.387 -9.093 1.00 0.00 N ATOM 1252 CA LYS A 71 84.686 5.503 -9.849 1.00 0.00 C ATOM 1253 C LYS A 71 85.484 4.338 -10.425 1.00 0.00 C ATOM 1254 O LYS A 71 85.001 3.205 -10.460 1.00 0.00 O ATOM 1255 CB LYS A 71 83.995 6.274 -10.974 1.00 0.00 C ATOM 1256 CG LYS A 71 85.010 7.200 -11.638 1.00 0.00 C ATOM 1257 CD LYS A 71 84.388 7.865 -12.860 1.00 0.00 C ATOM 1258 CE LYS A 71 85.445 8.742 -13.538 1.00 0.00 C ATOM 1259 NZ LYS A 71 85.784 9.893 -12.651 1.00 0.00 N ATOM 0 H LYS A 71 85.470 7.378 -9.318 1.00 0.00 H new ATOM 0 HA LYS A 71 83.925 5.108 -9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.582 5.581 -11.707 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.161 6.853 -10.577 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.340 7.959 -10.929 1.00 0.00 H new ATOM 0 HG3 LYS A 71 85.893 6.633 -11.932 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.022 7.109 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.530 8.469 -12.565 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.339 8.155 -13.747 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.071 9.105 -14.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 86.251 10.636 -13.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.913 10.274 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.424 9.573 -11.896 1.00 0.00 H new ATOM 1273 N GLU A 72 86.711 4.611 -10.855 1.00 0.00 N ATOM 1274 CA GLU A 72 87.561 3.555 -11.399 1.00 0.00 C ATOM 1275 C GLU A 72 88.276 2.830 -10.268 1.00 0.00 C ATOM 1276 O GLU A 72 89.481 2.586 -10.342 1.00 0.00 O ATOM 1277 CB GLU A 72 88.600 4.134 -12.360 1.00 0.00 C ATOM 1278 CG GLU A 72 88.005 5.329 -13.100 1.00 0.00 C ATOM 1279 CD GLU A 72 88.782 5.582 -14.387 1.00 0.00 C ATOM 1280 OE1 GLU A 72 89.992 5.434 -14.363 1.00 0.00 O ATOM 1281 OE2 GLU A 72 88.153 5.917 -15.376 1.00 0.00 O ATOM 0 H GLU A 72 87.135 5.538 -10.839 1.00 0.00 H new ATOM 0 HA GLU A 72 86.927 2.856 -11.944 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.489 4.441 -11.809 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.915 3.372 -13.073 1.00 0.00 H new ATOM 0 HG2 GLU A 72 86.956 5.140 -13.329 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.038 6.214 -12.465 1.00 0.00 H new ATOM 1365 N LYS A 78 91.509 -9.796 -5.127 1.00 0.00 N ATOM 1366 CA LYS A 78 92.323 -9.859 -3.923 1.00 0.00 C ATOM 1367 C LYS A 78 91.608 -9.212 -2.742 1.00 0.00 C ATOM 1368 O LYS A 78 91.656 -9.717 -1.621 1.00 0.00 O ATOM 1369 CB LYS A 78 93.658 -9.145 -4.157 1.00 0.00 C ATOM 1370 CG LYS A 78 94.530 -9.280 -2.906 1.00 0.00 C ATOM 1371 CD LYS A 78 95.977 -8.876 -3.217 1.00 0.00 C ATOM 1372 CE LYS A 78 96.067 -7.368 -3.472 1.00 0.00 C ATOM 1373 NZ LYS A 78 97.499 -6.974 -3.606 1.00 0.00 N ATOM 0 HA LYS A 78 92.500 -10.909 -3.691 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.168 -9.576 -5.018 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.486 -8.093 -4.383 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.133 -8.651 -2.109 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.502 -10.308 -2.545 1.00 0.00 H new ATOM 0 HD2 LYS A 78 96.625 -9.150 -2.384 1.00 0.00 H new ATOM 0 HD3 LYS A 78 96.334 -9.421 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 78 95.520 -7.108 -4.378 1.00 0.00 H new ATOM 0 HE3 LYS A 78 95.603 -6.821 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 97.563 -5.951 -3.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 98.007 -7.209 -2.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 97.927 -7.487 -4.403 1.00 0.00 H new ATOM 1387 N GLU A 79 90.919 -8.106 -2.991 1.00 0.00 N ATOM 1388 CA GLU A 79 90.206 -7.424 -1.923 1.00 0.00 C ATOM 1389 C GLU A 79 88.868 -8.093 -1.661 1.00 0.00 C ATOM 1390 O GLU A 79 88.400 -8.137 -0.528 1.00 0.00 O ATOM 1391 CB GLU A 79 89.992 -5.962 -2.300 1.00 0.00 C ATOM 1392 CG GLU A 79 91.351 -5.265 -2.397 1.00 0.00 C ATOM 1393 CD GLU A 79 91.160 -3.797 -2.758 1.00 0.00 C ATOM 1394 OE1 GLU A 79 90.031 -3.414 -3.016 1.00 0.00 O ATOM 1395 OE2 GLU A 79 92.144 -3.078 -2.769 1.00 0.00 O ATOM 0 H GLU A 79 90.840 -7.669 -3.909 1.00 0.00 H new ATOM 0 HA GLU A 79 90.803 -7.479 -1.013 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.465 -5.892 -3.252 1.00 0.00 H new ATOM 0 HB3 GLU A 79 89.369 -5.469 -1.554 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.880 -5.349 -1.448 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.968 -5.756 -3.150 1.00 0.00 H new ATOM 1402 N VAL A 80 88.258 -8.624 -2.711 1.00 0.00 N ATOM 1403 CA VAL A 80 86.978 -9.292 -2.554 1.00 0.00 C ATOM 1404 C VAL A 80 87.114 -10.440 -1.565 1.00 0.00 C ATOM 1405 O VAL A 80 86.308 -10.581 -0.646 1.00 0.00 O ATOM 1406 CB VAL A 80 86.509 -9.821 -3.911 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.322 -10.759 -3.722 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.075 -8.640 -4.778 1.00 0.00 C ATOM 0 H VAL A 80 88.622 -8.606 -3.664 1.00 0.00 H new ATOM 0 HA VAL A 80 86.243 -8.583 -2.172 1.00 0.00 H new ATOM 0 HB VAL A 80 87.324 -10.364 -4.389 1.00 0.00 H new ATOM 0 HG11 VAL A 80 84.994 -11.131 -4.693 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.618 -11.598 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.504 -10.219 -3.245 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.739 -9.005 -5.748 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.259 -8.109 -4.287 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.917 -7.962 -4.918 1.00 0.00 H new ATOM 1418 N HIS A 81 88.139 -11.249 -1.754 1.00 0.00 N ATOM 1419 CA HIS A 81 88.371 -12.380 -0.866 1.00 0.00 C ATOM 1420 C HIS A 81 88.597 -11.899 0.564 1.00 0.00 C ATOM 1421 O HIS A 81 88.032 -12.455 1.506 1.00 0.00 O ATOM 1422 CB HIS A 81 89.587 -13.174 -1.338 1.00 0.00 C ATOM 1423 CG HIS A 81 89.873 -14.284 -0.364 1.00 0.00 C ATOM 1424 ND1 HIS A 81 90.822 -14.157 0.638 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.344 -15.543 -0.221 1.00 0.00 C ATOM 1426 CE1 HIS A 81 90.837 -15.308 1.333 1.00 0.00 C ATOM 1427 NE2 HIS A 81 89.955 -16.188 0.852 1.00 0.00 N ATOM 0 H HIS A 81 88.821 -11.149 -2.506 1.00 0.00 H new ATOM 0 HA HIS A 81 87.490 -13.022 -0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 81 89.403 -13.586 -2.330 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.453 -12.517 -1.421 1.00 0.00 H new ATOM 0 HD2 HIS A 81 88.572 -15.968 -0.845 1.00 0.00 H new ATOM 0 HE1 HIS A 81 91.483 -15.498 2.177 1.00 0.00 H new ATOM 0 HE2 HIS A 81 89.769 -17.130 1.196 1.00 0.00 H new ATOM 1435 N LYS A 82 89.413 -10.859 0.728 1.00 0.00 N ATOM 1436 CA LYS A 82 89.670 -10.327 2.057 1.00 0.00 C ATOM 1437 C LYS A 82 88.456 -9.567 2.585 1.00 0.00 C ATOM 1438 O LYS A 82 88.253 -9.466 3.796 1.00 0.00 O ATOM 1439 CB LYS A 82 90.883 -9.400 2.017 1.00 0.00 C ATOM 1440 CG LYS A 82 92.118 -10.199 1.595 1.00 0.00 C ATOM 1441 CD LYS A 82 93.368 -9.607 2.247 1.00 0.00 C ATOM 1442 CE LYS A 82 93.568 -8.173 1.757 1.00 0.00 C ATOM 1443 NZ LYS A 82 94.827 -7.626 2.333 1.00 0.00 N ATOM 0 H LYS A 82 89.898 -10.378 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 82 89.871 -11.162 2.728 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.708 -8.583 1.317 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.044 -8.951 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 82 92.004 -11.243 1.888 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.220 -10.181 0.510 1.00 0.00 H new ATOM 0 HD2 LYS A 82 93.266 -9.621 3.332 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.241 -10.212 2.001 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.614 -8.152 0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.721 -7.554 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 94.965 -6.650 2.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 94.766 -7.633 3.371 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 95.631 -8.212 2.030 1.00 0.00 H new ATOM 1457 N VAL A 83 87.654 -9.032 1.672 1.00 0.00 N ATOM 1458 CA VAL A 83 86.462 -8.280 2.051 1.00 0.00 C ATOM 1459 C VAL A 83 85.335 -9.210 2.481 1.00 0.00 C ATOM 1460 O VAL A 83 85.054 -10.208 1.818 1.00 0.00 O ATOM 1461 CB VAL A 83 85.989 -7.425 0.878 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.615 -6.833 1.192 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.978 -6.285 0.648 1.00 0.00 C ATOM 0 H VAL A 83 87.806 -9.104 0.666 1.00 0.00 H new ATOM 0 HA VAL A 83 86.725 -7.641 2.894 1.00 0.00 H new ATOM 0 HB VAL A 83 85.925 -8.047 -0.015 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.281 -6.223 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.901 -7.639 1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.682 -6.213 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.641 -5.674 -0.189 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.038 -5.669 1.545 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.962 -6.697 0.424 1.00 0.00 H new ATOM 1473 N LYS A 84 84.688 -8.867 3.589 1.00 0.00 N ATOM 1474 CA LYS A 84 83.581 -9.667 4.097 1.00 0.00 C ATOM 1475 C LYS A 84 82.257 -8.976 3.800 1.00 0.00 C ATOM 1476 O LYS A 84 82.158 -7.751 3.879 1.00 0.00 O ATOM 1477 CB LYS A 84 83.739 -9.867 5.605 1.00 0.00 C ATOM 1478 CG LYS A 84 83.776 -8.517 6.303 1.00 0.00 C ATOM 1479 CD LYS A 84 84.002 -8.742 7.796 1.00 0.00 C ATOM 1480 CE LYS A 84 84.314 -7.406 8.451 1.00 0.00 C ATOM 1481 NZ LYS A 84 84.533 -7.604 9.912 1.00 0.00 N ATOM 0 H LYS A 84 84.910 -8.044 4.150 1.00 0.00 H new ATOM 0 HA LYS A 84 83.588 -10.639 3.604 1.00 0.00 H new ATOM 0 HB2 LYS A 84 82.912 -10.463 5.991 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.655 -10.420 5.814 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.573 -7.900 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 84 82.841 -7.981 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.116 -9.187 8.249 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.824 -9.440 7.952 1.00 0.00 H new ATOM 0 HE2 LYS A 84 85.201 -6.965 7.997 1.00 0.00 H new ATOM 0 HE3 LYS A 84 83.492 -6.709 8.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 84.746 -6.689 10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 83.675 -8.006 10.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.331 -8.255 10.058 1.00 0.00 H new ATOM 1495 N VAL A 85 81.243 -9.761 3.451 1.00 0.00 N ATOM 1496 CA VAL A 85 79.935 -9.202 3.133 1.00 0.00 C ATOM 1497 C VAL A 85 78.961 -9.486 4.268 1.00 0.00 C ATOM 1498 O VAL A 85 78.695 -10.642 4.595 1.00 0.00 O ATOM 1499 CB VAL A 85 79.406 -9.829 1.841 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.148 -9.090 1.380 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.474 -9.746 0.754 1.00 0.00 C ATOM 0 H VAL A 85 81.301 -10.777 3.382 1.00 0.00 H new ATOM 0 HA VAL A 85 80.032 -8.124 3.002 1.00 0.00 H new ATOM 0 HB VAL A 85 79.160 -10.874 2.028 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.777 -9.542 0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.382 -9.159 2.152 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.387 -8.042 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.094 -10.193 -0.164 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.727 -8.702 0.571 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.365 -10.284 1.078 1.00 0.00 H new ATOM 1511 N TYR A 86 78.438 -8.430 4.873 1.00 0.00 N ATOM 1512 CA TYR A 86 77.503 -8.583 5.977 1.00 0.00 C ATOM 1513 C TYR A 86 76.069 -8.666 5.462 1.00 0.00 C ATOM 1514 O TYR A 86 75.698 -7.958 4.525 1.00 0.00 O ATOM 1515 CB TYR A 86 77.644 -7.394 6.930 1.00 0.00 C ATOM 1516 CG TYR A 86 76.648 -6.323 6.547 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.739 -5.693 5.301 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.625 -5.974 7.431 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.803 -4.712 4.945 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.690 -5.000 7.077 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.777 -4.368 5.834 1.00 0.00 C ATOM 1522 OH TYR A 86 73.851 -3.408 5.486 1.00 0.00 O ATOM 0 H TYR A 86 78.644 -7.463 4.620 1.00 0.00 H new ATOM 0 HA TYR A 86 77.732 -9.508 6.506 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.473 -7.715 7.957 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.658 -6.996 6.885 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.529 -5.962 4.615 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.557 -6.460 8.393 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.873 -4.222 3.985 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.900 -4.735 7.764 1.00 0.00 H new ATOM 0 HH TYR A 86 73.793 -2.736 6.197 1.00 0.00 H new ATOM 1532 N VAL A 87 75.267 -9.533 6.080 1.00 0.00 N ATOM 1533 CA VAL A 87 73.873 -9.691 5.679 1.00 0.00 C ATOM 1534 C VAL A 87 72.947 -9.557 6.885 1.00 0.00 C ATOM 1535 O VAL A 87 73.169 -10.169 7.930 1.00 0.00 O ATOM 1536 CB VAL A 87 73.666 -11.058 5.015 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.264 -11.038 3.606 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.369 -12.138 5.835 1.00 0.00 C ATOM 0 H VAL A 87 75.557 -10.131 6.854 1.00 0.00 H new ATOM 0 HA VAL A 87 73.631 -8.905 4.964 1.00 0.00 H new ATOM 0 HB VAL A 87 72.598 -11.272 4.962 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.117 -12.010 3.134 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.771 -10.268 3.012 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.331 -10.822 3.666 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.221 -13.109 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.435 -11.919 5.887 1.00 0.00 H new ATOM 0 HG23 VAL A 87 73.953 -12.158 6.842 1.00 0.00 H new ATOM 1548 N TYR A 88 71.908 -8.746 6.729 1.00 0.00 N ATOM 1549 CA TYR A 88 70.951 -8.534 7.806 1.00 0.00 C ATOM 1550 C TYR A 88 69.753 -9.465 7.651 1.00 0.00 C ATOM 1551 O TYR A 88 68.870 -9.407 8.489 1.00 0.00 O ATOM 1552 CB TYR A 88 70.478 -7.079 7.811 1.00 0.00 C ATOM 1553 CG TYR A 88 70.168 -6.647 6.399 1.00 0.00 C ATOM 1554 CD1 TYR A 88 68.914 -6.922 5.842 1.00 0.00 C ATOM 1555 CD2 TYR A 88 71.135 -5.970 5.650 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.629 -6.519 4.532 1.00 0.00 C ATOM 1557 CE2 TYR A 88 70.849 -5.567 4.340 1.00 0.00 C ATOM 1558 CZ TYR A 88 69.596 -5.842 3.780 1.00 0.00 C ATOM 1559 OH TYR A 88 69.315 -5.446 2.490 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.738 -10.222 6.695 1.00 0.00 O ATOM 0 H TYR A 88 71.708 -8.228 5.873 1.00 0.00 H new ATOM 0 HA TYR A 88 71.445 -8.754 8.752 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.592 -6.975 8.437 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.248 -6.436 8.239 1.00 0.00 H new ATOM 0 HD1 TYR A 88 68.167 -7.444 6.422 1.00 0.00 H new ATOM 0 HD2 TYR A 88 72.102 -5.758 6.082 1.00 0.00 H new ATOM 0 HE1 TYR A 88 67.662 -6.731 4.101 1.00 0.00 H new ATOM 0 HE2 TYR A 88 71.596 -5.044 3.761 1.00 0.00 H new ATOM 0 HH TYR A 88 70.094 -4.988 2.111 1.00 0.00 H new