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 38 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -117:sc= -0.102 (180deg=-1.66) USER MOD Single : A 10 SER OG : rot 39:sc= 0.0214 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 155:sc= -0.0987 (180deg=-0.496) USER MOD Single : A 16 LYS NZ :NH3+ -148:sc= -0.0878 (180deg=-0.828) USER MOD Single : A 18 SER OG : rot 180:sc= -0.607 USER MOD Single : A 23 ASN : amide:sc= -2.07! K(o=-2.1!,f=-0.082) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -5.75! K(o=-5.7!,f=-2.7) USER MOD Single : A 29 GLN : amide:sc= -0.262 K(o=-0.26,f=-0.87) USER MOD Single : A 32 TYR OH : rot 139:sc= -0.254 USER MOD Single : A 39 LYS NZ :NH3+ 177:sc= -2.16! (180deg=-2.17!) USER MOD Single : A 40 GLN : amide:sc= -0.906 X(o=-0.91,f=-0.81) USER MOD Single : A 43 GLN : amide:sc= -1.49 K(o=-1.5,f=-2.3!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 119:sc= 0.0333! USER MOD Single : A 55 TYR OH : rot -75:sc= 0.866 USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= -0.0696 (180deg=-0.635) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.882 K(o=-0.88,f=-2.5!) USER MOD Single : A 64 ASN : amide:sc= -0.323 K(o=-0.32,f=-1) USER MOD Single : A 65 THR OG1 : rot 180:sc= -1.1 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -98:sc= 0.694 USER MOD Single : A 70 ASN : amide:sc= -1.34 K(o=-1.3,f=-4.7) USER MOD Single : A 71 LYS NZ :NH3+ 179:sc= -1.96! (180deg=-2.01!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=-0.11) 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 102:sc= -0.309 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.371 -11.964 10.102 1.00 0.00 N ATOM 194 CA SER A 10 75.585 -12.764 9.929 1.00 0.00 C ATOM 195 C SER A 10 76.537 -12.089 8.950 1.00 0.00 C ATOM 196 O SER A 10 76.199 -11.076 8.343 1.00 0.00 O ATOM 197 CB SER A 10 75.228 -14.164 9.418 1.00 0.00 C ATOM 198 OG SER A 10 74.510 -14.868 10.423 1.00 0.00 O ATOM 0 HA SER A 10 76.078 -12.850 10.897 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.627 -14.089 8.512 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.135 -14.709 9.155 1.00 0.00 H new ATOM 0 HG SER A 10 73.894 -14.254 10.876 1.00 0.00 H new ATOM 204 N ILE A 11 77.728 -12.663 8.803 1.00 0.00 N ATOM 205 CA ILE A 11 78.723 -12.116 7.890 1.00 0.00 C ATOM 206 C ILE A 11 79.298 -13.211 7.002 1.00 0.00 C ATOM 207 O ILE A 11 79.696 -14.265 7.491 1.00 0.00 O ATOM 208 CB ILE A 11 79.845 -11.442 8.675 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.250 -10.374 9.599 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.830 -10.786 7.706 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.051 -10.962 10.998 1.00 0.00 C ATOM 0 H ILE A 11 78.025 -13.502 9.302 1.00 0.00 H new ATOM 0 HA ILE A 11 78.235 -11.375 7.257 1.00 0.00 H new ATOM 0 HB ILE A 11 80.369 -12.190 9.270 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.912 -9.510 9.647 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.297 -10.024 9.201 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.630 -10.306 8.270 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.254 -11.545 7.049 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.309 -10.039 7.108 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.628 -10.202 11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.372 -11.813 10.942 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.012 -11.290 11.395 1.00 0.00 H new ATOM 223 N SER A 12 79.332 -12.957 5.697 1.00 0.00 N ATOM 224 CA SER A 12 79.849 -13.932 4.742 1.00 0.00 C ATOM 225 C SER A 12 80.989 -13.333 3.927 1.00 0.00 C ATOM 226 O SER A 12 81.337 -12.164 4.098 1.00 0.00 O ATOM 227 CB SER A 12 78.735 -14.398 3.809 1.00 0.00 C ATOM 228 OG SER A 12 77.715 -15.026 4.576 1.00 0.00 O ATOM 0 H SER A 12 79.008 -12.086 5.277 1.00 0.00 H new ATOM 0 HA SER A 12 80.230 -14.788 5.299 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.325 -13.550 3.261 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.131 -15.094 3.069 1.00 0.00 H new ATOM 0 HG SER A 12 76.996 -15.326 3.981 1.00 0.00 H new ATOM 234 N ARG A 13 81.560 -14.141 3.039 1.00 0.00 N ATOM 235 CA ARG A 13 82.656 -13.679 2.194 1.00 0.00 C ATOM 236 C ARG A 13 82.242 -13.682 0.725 1.00 0.00 C ATOM 237 O ARG A 13 81.690 -14.662 0.226 1.00 0.00 O ATOM 238 CB ARG A 13 83.877 -14.576 2.385 1.00 0.00 C ATOM 239 CG ARG A 13 84.331 -14.515 3.846 1.00 0.00 C ATOM 240 CD ARG A 13 85.768 -15.020 3.952 1.00 0.00 C ATOM 241 NE ARG A 13 85.854 -16.400 3.482 1.00 0.00 N ATOM 242 CZ ARG A 13 86.244 -16.683 2.240 1.00 0.00 C ATOM 243 NH1 ARG A 13 86.550 -15.719 1.413 1.00 0.00 N ATOM 244 NH2 ARG A 13 86.315 -17.924 1.848 1.00 0.00 N ATOM 0 H ARG A 13 81.285 -15.111 2.886 1.00 0.00 H new ATOM 0 HA ARG A 13 82.907 -12.659 2.485 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.634 -15.603 2.111 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.685 -14.254 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 13 84.265 -13.492 4.216 1.00 0.00 H new ATOM 0 HG3 ARG A 13 83.674 -15.122 4.468 1.00 0.00 H new ATOM 0 HD2 ARG A 13 86.429 -14.385 3.361 1.00 0.00 H new ATOM 0 HD3 ARG A 13 86.107 -14.959 4.986 1.00 0.00 H new ATOM 0 HE ARG A 13 85.611 -17.161 4.116 1.00 0.00 H new ATOM 0 HH11 ARG A 13 86.491 -14.747 1.718 1.00 0.00 H new ATOM 0 HH12 ARG A 13 86.848 -15.938 0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 13 86.072 -18.677 2.492 1.00 0.00 H new ATOM 0 HH22 ARG A 13 86.613 -18.142 0.897 1.00 0.00 H new ATOM 258 N ALA A 14 82.515 -12.577 0.037 1.00 0.00 N ATOM 259 CA ALA A 14 82.170 -12.461 -1.376 1.00 0.00 C ATOM 260 C ALA A 14 83.006 -13.422 -2.212 1.00 0.00 C ATOM 261 O ALA A 14 84.121 -13.779 -1.829 1.00 0.00 O ATOM 262 CB ALA A 14 82.400 -11.029 -1.855 1.00 0.00 C ATOM 0 H ALA A 14 82.971 -11.754 0.432 1.00 0.00 H new ATOM 0 HA ALA A 14 81.117 -12.717 -1.495 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.140 -10.952 -2.911 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.776 -10.347 -1.277 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.449 -10.764 -1.720 1.00 0.00 H new ATOM 268 N LYS A 15 82.462 -13.845 -3.351 1.00 0.00 N ATOM 269 CA LYS A 15 83.171 -14.770 -4.222 1.00 0.00 C ATOM 270 C LYS A 15 83.921 -14.020 -5.316 1.00 0.00 C ATOM 271 O LYS A 15 85.044 -14.380 -5.667 1.00 0.00 O ATOM 272 CB LYS A 15 82.174 -15.744 -4.862 1.00 0.00 C ATOM 273 CG LYS A 15 82.233 -17.095 -4.144 1.00 0.00 C ATOM 274 CD LYS A 15 81.682 -16.943 -2.723 1.00 0.00 C ATOM 275 CE LYS A 15 82.103 -18.148 -1.883 1.00 0.00 C ATOM 276 NZ LYS A 15 83.567 -18.080 -1.613 1.00 0.00 N ATOM 0 H LYS A 15 81.541 -13.563 -3.687 1.00 0.00 H new ATOM 0 HA LYS A 15 83.894 -15.322 -3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.165 -15.335 -4.805 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.406 -15.873 -5.919 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.652 -17.836 -4.693 1.00 0.00 H new ATOM 0 HG3 LYS A 15 83.261 -17.456 -4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.056 -16.024 -2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 15 80.595 -16.866 -2.749 1.00 0.00 H new ATOM 0 HE2 LYS A 15 81.550 -18.161 -0.944 1.00 0.00 H new ATOM 0 HE3 LYS A 15 81.862 -19.072 -2.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 83.784 -18.607 -0.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 84.087 -18.499 -2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 83.853 -17.087 -1.497 1.00 0.00 H new ATOM 290 N LYS A 16 83.285 -12.983 -5.853 1.00 0.00 N ATOM 291 CA LYS A 16 83.884 -12.180 -6.909 1.00 0.00 C ATOM 292 C LYS A 16 83.648 -10.701 -6.664 1.00 0.00 C ATOM 293 O LYS A 16 83.170 -10.300 -5.609 1.00 0.00 O ATOM 294 CB LYS A 16 83.336 -12.601 -8.266 1.00 0.00 C ATOM 295 CG LYS A 16 84.267 -12.082 -9.379 1.00 0.00 C ATOM 296 CD LYS A 16 83.600 -10.916 -10.121 1.00 0.00 C ATOM 297 CE LYS A 16 83.136 -11.381 -11.495 1.00 0.00 C ATOM 298 NZ LYS A 16 84.321 -11.756 -12.312 1.00 0.00 N ATOM 0 H LYS A 16 82.352 -12.680 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 16 84.961 -12.350 -6.904 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.259 -13.687 -8.318 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.330 -12.203 -8.403 1.00 0.00 H new ATOM 0 HG2 LYS A 16 85.214 -11.756 -8.949 1.00 0.00 H new ATOM 0 HG3 LYS A 16 84.494 -12.886 -10.079 1.00 0.00 H new ATOM 0 HD2 LYS A 16 82.752 -10.544 -9.546 1.00 0.00 H new ATOM 0 HD3 LYS A 16 84.302 -10.089 -10.224 1.00 0.00 H new ATOM 0 HE2 LYS A 16 82.464 -12.233 -11.396 1.00 0.00 H new ATOM 0 HE3 LYS A 16 82.575 -10.588 -11.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 84.131 -11.551 -13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 85.147 -11.208 -11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.515 -12.771 -12.197 1.00 0.00 H new ATOM 312 N TRP A 17 83.989 -9.904 -7.650 1.00 0.00 N ATOM 313 CA TRP A 17 83.812 -8.452 -7.557 1.00 0.00 C ATOM 314 C TRP A 17 82.514 -7.988 -8.215 1.00 0.00 C ATOM 315 O TRP A 17 82.202 -8.368 -9.339 1.00 0.00 O ATOM 316 CB TRP A 17 84.991 -7.735 -8.219 1.00 0.00 C ATOM 317 CG TRP A 17 84.696 -6.273 -8.344 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.057 -5.323 -7.451 1.00 0.00 C ATOM 319 CD2 TRP A 17 83.945 -5.586 -9.388 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.614 -4.094 -7.904 1.00 0.00 N ATOM 321 CE2 TRP A 17 83.908 -4.206 -9.087 1.00 0.00 C ATOM 322 CE3 TRP A 17 83.308 -6.024 -10.564 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.262 -3.294 -9.922 1.00 0.00 C ATOM 324 CZ3 TRP A 17 82.655 -5.108 -11.403 1.00 0.00 C ATOM 325 CH2 TRP A 17 82.633 -3.746 -11.083 1.00 0.00 C ATOM 0 H TRP A 17 84.391 -10.225 -8.530 1.00 0.00 H new ATOM 0 HA TRP A 17 83.765 -8.202 -6.497 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.895 -7.883 -7.628 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.180 -8.162 -9.204 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.602 -5.496 -6.535 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.787 -3.211 -7.423 1.00 0.00 H new ATOM 0 HE3 TRP A 17 83.322 -7.072 -10.823 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.249 -2.244 -9.671 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 82.167 -5.456 -12.301 1.00 0.00 H new ATOM 0 HH2 TRP A 17 82.130 -3.046 -11.733 1.00 0.00 H new ATOM 336 N SER A 18 81.768 -7.138 -7.521 1.00 0.00 N ATOM 337 CA SER A 18 80.529 -6.604 -8.075 1.00 0.00 C ATOM 338 C SER A 18 80.171 -5.286 -7.392 1.00 0.00 C ATOM 339 O SER A 18 80.583 -5.031 -6.260 1.00 0.00 O ATOM 340 CB SER A 18 79.387 -7.603 -7.888 1.00 0.00 C ATOM 341 OG SER A 18 79.072 -7.705 -6.507 1.00 0.00 O ATOM 0 H SER A 18 81.995 -6.806 -6.584 1.00 0.00 H new ATOM 0 HA SER A 18 80.677 -6.428 -9.141 1.00 0.00 H new ATOM 0 HB2 SER A 18 78.510 -7.280 -8.449 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.675 -8.579 -8.280 1.00 0.00 H new ATOM 0 HG SER A 18 78.339 -8.344 -6.385 1.00 0.00 H new ATOM 347 N GLU A 19 79.398 -4.453 -8.084 1.00 0.00 N ATOM 348 CA GLU A 19 79.000 -3.162 -7.534 1.00 0.00 C ATOM 349 C GLU A 19 78.613 -3.310 -6.068 1.00 0.00 C ATOM 350 O GLU A 19 78.747 -2.369 -5.277 1.00 0.00 O ATOM 351 CB GLU A 19 77.809 -2.611 -8.326 1.00 0.00 C ATOM 352 CG GLU A 19 76.624 -3.576 -8.207 1.00 0.00 C ATOM 353 CD GLU A 19 75.477 -3.106 -9.094 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.670 -2.142 -9.817 1.00 0.00 O ATOM 355 OE2 GLU A 19 74.421 -3.714 -9.034 1.00 0.00 O ATOM 0 H GLU A 19 79.038 -4.647 -9.018 1.00 0.00 H new ATOM 0 HA GLU A 19 79.840 -2.472 -7.610 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.530 -1.628 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.083 -2.483 -9.373 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.932 -4.580 -8.498 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.293 -3.632 -7.170 1.00 0.00 H new ATOM 362 N GLU A 20 78.142 -4.499 -5.703 1.00 0.00 N ATOM 363 CA GLU A 20 77.751 -4.759 -4.326 1.00 0.00 C ATOM 364 C GLU A 20 78.978 -4.800 -3.422 1.00 0.00 C ATOM 365 O GLU A 20 78.971 -4.246 -2.330 1.00 0.00 O ATOM 366 CB GLU A 20 77.011 -6.096 -4.236 1.00 0.00 C ATOM 367 CG GLU A 20 76.520 -6.320 -2.802 1.00 0.00 C ATOM 368 CD GLU A 20 75.728 -7.619 -2.718 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.644 -8.306 -3.723 1.00 0.00 O ATOM 370 OE2 GLU A 20 75.213 -7.908 -1.650 1.00 0.00 O ATOM 0 H GLU A 20 78.023 -5.289 -6.337 1.00 0.00 H new ATOM 0 HA GLU A 20 77.093 -3.954 -3.997 1.00 0.00 H new ATOM 0 HB2 GLU A 20 76.166 -6.102 -4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 20 77.672 -6.909 -4.535 1.00 0.00 H new ATOM 0 HG2 GLU A 20 77.369 -6.358 -2.120 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.896 -5.483 -2.488 1.00 0.00 H new ATOM 377 N ILE A 21 80.034 -5.469 -3.877 1.00 0.00 N ATOM 378 CA ILE A 21 81.244 -5.581 -3.073 1.00 0.00 C ATOM 379 C ILE A 21 81.990 -4.255 -3.049 1.00 0.00 C ATOM 380 O ILE A 21 82.188 -3.674 -1.987 1.00 0.00 O ATOM 381 CB ILE A 21 82.149 -6.674 -3.662 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.308 -7.915 -3.975 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.242 -7.041 -2.655 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.473 -8.294 -2.752 1.00 0.00 C ATOM 0 H ILE A 21 80.076 -5.934 -4.784 1.00 0.00 H new ATOM 0 HA ILE A 21 80.968 -5.844 -2.052 1.00 0.00 H new ATOM 0 HB ILE A 21 82.613 -6.304 -4.576 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.656 -7.719 -4.826 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.957 -8.745 -4.255 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.881 -7.816 -3.078 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.842 -6.159 -2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.783 -7.410 -1.738 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.876 -9.177 -2.979 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.134 -8.508 -1.912 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.813 -7.467 -2.492 1.00 0.00 H new ATOM 396 N GLU A 22 82.413 -3.792 -4.219 1.00 0.00 N ATOM 397 CA GLU A 22 83.156 -2.541 -4.318 1.00 0.00 C ATOM 398 C GLU A 22 82.597 -1.528 -3.333 1.00 0.00 C ATOM 399 O GLU A 22 83.344 -0.890 -2.594 1.00 0.00 O ATOM 400 CB GLU A 22 83.034 -1.985 -5.738 1.00 0.00 C ATOM 401 CG GLU A 22 83.942 -0.763 -5.887 1.00 0.00 C ATOM 402 CD GLU A 22 83.803 -0.179 -7.287 1.00 0.00 C ATOM 403 OE1 GLU A 22 82.955 -0.650 -8.018 1.00 0.00 O ATOM 404 OE2 GLU A 22 84.550 0.730 -7.608 1.00 0.00 O ATOM 0 H GLU A 22 82.255 -4.262 -5.110 1.00 0.00 H new ATOM 0 HA GLU A 22 84.204 -2.730 -4.086 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.312 -2.749 -6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.000 -1.710 -5.945 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.679 -0.011 -5.143 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.979 -1.045 -5.703 1.00 0.00 H new ATOM 411 N ASN A 23 81.278 -1.415 -3.304 1.00 0.00 N ATOM 412 CA ASN A 23 80.623 -0.493 -2.372 1.00 0.00 C ATOM 413 C ASN A 23 80.917 -0.889 -0.926 1.00 0.00 C ATOM 414 O ASN A 23 81.255 -0.045 -0.095 1.00 0.00 O ATOM 415 CB ASN A 23 79.113 -0.515 -2.593 1.00 0.00 C ATOM 416 CG ASN A 23 78.402 0.233 -1.467 1.00 0.00 C ATOM 417 OD1 ASN A 23 78.055 1.404 -1.614 1.00 0.00 O ATOM 418 ND2 ASN A 23 78.180 -0.383 -0.345 1.00 0.00 N ATOM 0 H ASN A 23 80.642 -1.940 -3.904 1.00 0.00 H new ATOM 0 HA ASN A 23 81.011 0.509 -2.556 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.872 -0.057 -3.552 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.760 -1.545 -2.634 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.715 0.104 0.421 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.470 -1.354 -0.230 1.00 0.00 H new ATOM 425 N LEU A 24 80.785 -2.183 -0.629 1.00 0.00 N ATOM 426 CA LEU A 24 81.035 -2.669 0.721 1.00 0.00 C ATOM 427 C LEU A 24 82.424 -2.276 1.187 1.00 0.00 C ATOM 428 O LEU A 24 82.587 -1.793 2.297 1.00 0.00 O ATOM 429 CB LEU A 24 80.899 -4.194 0.767 1.00 0.00 C ATOM 430 CG LEU A 24 79.561 -4.584 1.389 1.00 0.00 C ATOM 431 CD1 LEU A 24 79.531 -4.146 2.853 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.422 -3.897 0.631 1.00 0.00 C ATOM 0 H LEU A 24 80.510 -2.902 -1.298 1.00 0.00 H new ATOM 0 HA LEU A 24 80.298 -2.216 1.384 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.974 -4.604 -0.240 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.717 -4.622 1.347 1.00 0.00 H new ATOM 0 HG LEU A 24 79.438 -5.665 1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 24 78.575 -4.425 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 24 80.340 -4.635 3.396 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.657 -3.065 2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.467 -4.177 1.077 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.546 -2.816 0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.440 -4.209 -0.413 1.00 0.00 H new ATOM 444 N TYR A 25 83.419 -2.478 0.335 1.00 0.00 N ATOM 445 CA TYR A 25 84.785 -2.127 0.683 1.00 0.00 C ATOM 446 C TYR A 25 84.879 -0.657 1.071 1.00 0.00 C ATOM 447 O TYR A 25 85.444 -0.322 2.108 1.00 0.00 O ATOM 448 CB TYR A 25 85.704 -2.395 -0.513 1.00 0.00 C ATOM 449 CG TYR A 25 87.046 -1.742 -0.277 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.913 -2.244 0.699 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.422 -0.627 -1.040 1.00 0.00 C ATOM 452 CE1 TYR A 25 89.153 -1.634 0.915 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.664 -0.017 -0.823 1.00 0.00 C ATOM 454 CZ TYR A 25 89.528 -0.520 0.154 1.00 0.00 C ATOM 455 OH TYR A 25 90.752 0.081 0.369 1.00 0.00 O ATOM 0 H TYR A 25 83.306 -2.880 -0.595 1.00 0.00 H new ATOM 0 HA TYR A 25 85.094 -2.736 1.533 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.830 -3.468 -0.654 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.254 -2.004 -1.425 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.625 -3.103 1.286 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.754 -0.239 -1.795 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.822 -2.022 1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.954 0.842 -1.410 1.00 0.00 H new ATOM 0 HH TYR A 25 90.856 0.839 -0.243 1.00 0.00 H new ATOM 465 N ARG A 26 84.326 0.213 0.235 1.00 0.00 N ATOM 466 CA ARG A 26 84.372 1.644 0.511 1.00 0.00 C ATOM 467 C ARG A 26 83.676 1.948 1.834 1.00 0.00 C ATOM 468 O ARG A 26 84.205 2.680 2.670 1.00 0.00 O ATOM 469 CB ARG A 26 83.670 2.407 -0.615 1.00 0.00 C ATOM 470 CG ARG A 26 84.432 2.200 -1.924 1.00 0.00 C ATOM 471 CD ARG A 26 83.847 3.110 -3.006 1.00 0.00 C ATOM 472 NE ARG A 26 84.383 2.745 -4.312 1.00 0.00 N ATOM 473 CZ ARG A 26 84.152 3.497 -5.382 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.450 4.593 -5.271 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.630 3.143 -6.543 1.00 0.00 N ATOM 0 H ARG A 26 83.847 -0.042 -0.628 1.00 0.00 H new ATOM 0 HA ARG A 26 85.414 1.956 0.575 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.643 2.057 -0.720 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.622 3.469 -0.374 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.489 2.422 -1.780 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.364 1.158 -2.235 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.760 3.026 -3.014 1.00 0.00 H new ATOM 0 HD3 ARG A 26 84.085 4.150 -2.785 1.00 0.00 H new ATOM 0 HE ARG A 26 84.944 1.899 -4.405 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.079 4.871 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.273 5.170 -6.093 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.181 2.289 -6.629 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.453 3.720 -7.365 1.00 0.00 H new ATOM 489 N PHE A 27 82.487 1.374 2.028 1.00 0.00 N ATOM 490 CA PHE A 27 81.740 1.593 3.261 1.00 0.00 C ATOM 491 C PHE A 27 82.519 1.058 4.462 1.00 0.00 C ATOM 492 O PHE A 27 82.690 1.755 5.462 1.00 0.00 O ATOM 493 CB PHE A 27 80.381 0.895 3.171 1.00 0.00 C ATOM 494 CG PHE A 27 79.334 1.883 2.718 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.442 2.490 1.463 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.255 2.188 3.551 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.470 3.408 1.045 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.295 3.100 3.136 1.00 0.00 C ATOM 499 CZ PHE A 27 77.397 3.718 1.884 1.00 0.00 C ATOM 0 H PHE A 27 82.028 0.762 1.354 1.00 0.00 H new ATOM 0 HA PHE A 27 81.590 2.664 3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.435 0.061 2.472 1.00 0.00 H new ATOM 0 HB3 PHE A 27 80.109 0.480 4.142 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.274 2.251 0.817 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.168 1.714 4.518 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.550 3.876 0.075 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.463 3.335 3.784 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.650 4.431 1.568 1.00 0.00 H new ATOM 509 N GLN A 28 82.994 -0.177 4.350 1.00 0.00 N ATOM 510 CA GLN A 28 83.747 -0.798 5.433 1.00 0.00 C ATOM 511 C GLN A 28 84.939 0.071 5.806 1.00 0.00 C ATOM 512 O GLN A 28 85.216 0.281 6.983 1.00 0.00 O ATOM 513 CB GLN A 28 84.246 -2.176 4.993 1.00 0.00 C ATOM 514 CG GLN A 28 83.081 -3.165 4.968 1.00 0.00 C ATOM 515 CD GLN A 28 83.526 -4.478 4.334 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.712 -4.805 4.344 1.00 0.00 O ATOM 517 NE2 GLN A 28 82.636 -5.256 3.784 1.00 0.00 N ATOM 0 H GLN A 28 82.872 -0.765 3.526 1.00 0.00 H new ATOM 0 HA GLN A 28 83.093 -0.904 6.299 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.700 -2.110 4.004 1.00 0.00 H new ATOM 0 HB3 GLN A 28 85.019 -2.528 5.676 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.723 -3.344 5.982 1.00 0.00 H new ATOM 0 HG3 GLN A 28 82.248 -2.744 4.406 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.654 -4.982 3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.922 -6.139 3.360 1.00 0.00 H new ATOM 526 N GLN A 29 85.618 0.606 4.798 1.00 0.00 N ATOM 527 CA GLN A 29 86.761 1.480 5.041 1.00 0.00 C ATOM 528 C GLN A 29 86.330 2.746 5.776 1.00 0.00 C ATOM 529 O GLN A 29 87.038 3.233 6.658 1.00 0.00 O ATOM 530 CB GLN A 29 87.422 1.857 3.715 1.00 0.00 C ATOM 531 CG GLN A 29 88.160 0.645 3.146 1.00 0.00 C ATOM 532 CD GLN A 29 89.375 0.325 4.007 1.00 0.00 C ATOM 533 OE1 GLN A 29 90.110 1.229 4.406 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.636 -0.915 4.320 1.00 0.00 N ATOM 0 H GLN A 29 85.400 0.453 3.813 1.00 0.00 H new ATOM 0 HA GLN A 29 87.475 0.942 5.664 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.669 2.202 3.007 1.00 0.00 H new ATOM 0 HB3 GLN A 29 88.119 2.682 3.866 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.491 -0.215 3.111 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.473 0.847 2.122 1.00 0.00 H new ATOM 0 HE21 GLN A 29 89.027 -1.663 3.989 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.449 -1.136 4.895 1.00 0.00 H new ATOM 543 N ALA A 30 85.167 3.275 5.408 1.00 0.00 N ATOM 544 CA ALA A 30 84.653 4.481 6.042 1.00 0.00 C ATOM 545 C ALA A 30 84.139 4.173 7.447 1.00 0.00 C ATOM 546 O ALA A 30 83.972 5.070 8.272 1.00 0.00 O ATOM 547 CB ALA A 30 83.521 5.070 5.198 1.00 0.00 C ATOM 0 H ALA A 30 84.567 2.889 4.679 1.00 0.00 H new ATOM 0 HA ALA A 30 85.465 5.205 6.117 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.141 5.972 5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.898 5.318 4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.716 4.340 5.108 1.00 0.00 H new ATOM 553 N GLY A 31 83.885 2.899 7.712 1.00 0.00 N ATOM 554 CA GLY A 31 83.386 2.492 9.015 1.00 0.00 C ATOM 555 C GLY A 31 81.890 2.191 8.967 1.00 0.00 C ATOM 556 O GLY A 31 81.270 1.909 9.992 1.00 0.00 O ATOM 0 H GLY A 31 84.015 2.136 7.047 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.926 1.608 9.354 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.577 3.281 9.743 1.00 0.00 H new ATOM 560 N TYR A 32 81.319 2.228 7.766 1.00 0.00 N ATOM 561 CA TYR A 32 79.907 1.943 7.588 1.00 0.00 C ATOM 562 C TYR A 32 79.713 0.544 7.030 1.00 0.00 C ATOM 563 O TYR A 32 80.562 0.023 6.317 1.00 0.00 O ATOM 564 CB TYR A 32 79.292 2.970 6.635 1.00 0.00 C ATOM 565 CG TYR A 32 79.540 4.367 7.148 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.492 4.644 8.526 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.823 5.397 6.245 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.729 5.928 8.988 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.062 6.692 6.717 1.00 0.00 C ATOM 570 CZ TYR A 32 80.016 6.956 8.090 1.00 0.00 C ATOM 571 OH TYR A 32 80.250 8.232 8.559 1.00 0.00 O ATOM 0 H TYR A 32 81.816 2.453 6.904 1.00 0.00 H new ATOM 0 HA TYR A 32 79.412 2.003 8.557 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.723 2.858 5.640 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.221 2.794 6.540 1.00 0.00 H new ATOM 0 HD1 TYR A 32 79.270 3.853 9.226 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.857 5.193 5.185 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.691 6.134 10.048 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.282 7.488 6.021 1.00 0.00 H new ATOM 0 HH TYR A 32 80.998 8.630 8.066 1.00 0.00 H new ATOM 581 N ARG A 33 78.590 -0.066 7.381 1.00 0.00 N ATOM 582 CA ARG A 33 78.284 -1.415 6.916 1.00 0.00 C ATOM 583 C ARG A 33 77.598 -1.363 5.554 1.00 0.00 C ATOM 584 O ARG A 33 77.860 -2.189 4.691 1.00 0.00 O ATOM 585 CB ARG A 33 77.372 -2.131 7.918 1.00 0.00 C ATOM 586 CG ARG A 33 76.452 -1.114 8.592 1.00 0.00 C ATOM 587 CD ARG A 33 77.114 -0.608 9.882 1.00 0.00 C ATOM 588 NE ARG A 33 76.986 -1.607 10.935 1.00 0.00 N ATOM 589 CZ ARG A 33 77.747 -1.557 12.023 1.00 0.00 C ATOM 590 NH1 ARG A 33 78.627 -0.605 12.161 1.00 0.00 N ATOM 591 NH2 ARG A 33 77.612 -2.462 12.954 1.00 0.00 N ATOM 0 H ARG A 33 77.878 0.347 7.983 1.00 0.00 H new ATOM 0 HA ARG A 33 79.220 -1.966 6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.779 -2.890 7.408 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.972 -2.646 8.668 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.257 -0.280 7.918 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.489 -1.572 8.819 1.00 0.00 H new ATOM 0 HD2 ARG A 33 78.167 -0.393 9.700 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.648 0.326 10.197 1.00 0.00 H new ATOM 0 HE ARG A 33 76.301 -2.357 10.835 1.00 0.00 H new ATOM 0 HH11 ARG A 33 78.732 0.102 11.433 1.00 0.00 H new ATOM 0 HH12 ARG A 33 79.211 -0.567 12.997 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.923 -3.206 12.846 1.00 0.00 H new ATOM 0 HH22 ARG A 33 78.196 -2.425 13.790 1.00 0.00 H new ATOM 605 N ASP A 34 76.712 -0.392 5.375 1.00 0.00 N ATOM 606 CA ASP A 34 75.988 -0.244 4.117 1.00 0.00 C ATOM 607 C ASP A 34 75.299 1.111 4.058 1.00 0.00 C ATOM 608 O ASP A 34 75.302 1.865 5.038 1.00 0.00 O ATOM 609 CB ASP A 34 74.965 -1.363 3.961 1.00 0.00 C ATOM 610 CG ASP A 34 74.164 -1.166 2.678 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.751 -1.277 1.615 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.978 -0.900 2.779 1.00 0.00 O ATOM 0 H ASP A 34 76.477 0.304 6.083 1.00 0.00 H new ATOM 0 HA ASP A 34 76.703 -0.307 3.296 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.471 -2.328 3.938 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.294 -1.375 4.820 1.00 0.00 H new ATOM 617 N GLU A 35 74.715 1.421 2.905 1.00 0.00 N ATOM 618 CA GLU A 35 74.035 2.697 2.714 1.00 0.00 C ATOM 619 C GLU A 35 73.199 3.047 3.935 1.00 0.00 C ATOM 620 O GLU A 35 73.056 4.220 4.283 1.00 0.00 O ATOM 621 CB GLU A 35 73.129 2.632 1.486 1.00 0.00 C ATOM 622 CG GLU A 35 73.778 1.754 0.414 1.00 0.00 C ATOM 623 CD GLU A 35 75.253 2.110 0.269 1.00 0.00 C ATOM 624 OE1 GLU A 35 75.537 3.232 -0.117 1.00 0.00 O ATOM 625 OE2 GLU A 35 76.078 1.258 0.552 1.00 0.00 O ATOM 0 H GLU A 35 74.699 0.807 2.090 1.00 0.00 H new ATOM 0 HA GLU A 35 74.793 3.467 2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.155 2.227 1.761 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.958 3.635 1.094 1.00 0.00 H new ATOM 0 HG2 GLU A 35 73.674 0.703 0.682 1.00 0.00 H new ATOM 0 HG3 GLU A 35 73.267 1.892 -0.539 1.00 0.00 H new ATOM 632 N ILE A 36 72.622 2.030 4.569 1.00 0.00 N ATOM 633 CA ILE A 36 71.769 2.263 5.718 1.00 0.00 C ATOM 634 C ILE A 36 72.486 3.085 6.781 1.00 0.00 C ATOM 635 O ILE A 36 71.940 4.069 7.282 1.00 0.00 O ATOM 636 CB ILE A 36 71.359 0.916 6.331 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.412 0.182 5.376 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.646 1.150 7.668 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.226 -1.265 5.845 1.00 0.00 C ATOM 0 H ILE A 36 72.731 1.050 4.307 1.00 0.00 H new ATOM 0 HA ILE A 36 70.892 2.815 5.381 1.00 0.00 H new ATOM 0 HB ILE A 36 72.252 0.313 6.496 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.448 0.690 5.342 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.816 0.197 4.364 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.357 0.191 8.099 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.318 1.668 8.353 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.756 1.757 7.504 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.552 -1.784 5.164 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.191 -1.771 5.856 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.802 -1.270 6.849 1.00 0.00 H new ATOM 651 N GLU A 37 73.697 2.684 7.123 1.00 0.00 N ATOM 652 CA GLU A 37 74.461 3.394 8.137 1.00 0.00 C ATOM 653 C GLU A 37 74.877 4.778 7.658 1.00 0.00 C ATOM 654 O GLU A 37 74.817 5.750 8.413 1.00 0.00 O ATOM 655 CB GLU A 37 75.709 2.590 8.505 1.00 0.00 C ATOM 656 CG GLU A 37 76.409 3.227 9.706 1.00 0.00 C ATOM 657 CD GLU A 37 75.515 3.135 10.937 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.615 2.311 10.932 1.00 0.00 O ATOM 659 OE2 GLU A 37 75.739 3.893 11.867 1.00 0.00 O ATOM 0 H GLU A 37 74.171 1.877 6.718 1.00 0.00 H new ATOM 0 HA GLU A 37 73.821 3.513 9.012 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.433 1.562 8.738 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.390 2.552 7.655 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.356 2.722 9.895 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.641 4.270 9.491 1.00 0.00 H new ATOM 666 N TYR A 38 75.316 4.854 6.411 1.00 0.00 N ATOM 667 CA TYR A 38 75.761 6.121 5.847 1.00 0.00 C ATOM 668 C TYR A 38 74.653 7.154 5.877 1.00 0.00 C ATOM 669 O TYR A 38 74.873 8.299 6.283 1.00 0.00 O ATOM 670 CB TYR A 38 76.231 5.925 4.408 1.00 0.00 C ATOM 671 CG TYR A 38 76.468 7.264 3.762 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.518 8.078 4.203 1.00 0.00 C ATOM 673 CD2 TYR A 38 75.642 7.694 2.715 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.739 9.323 3.603 1.00 0.00 C ATOM 675 CE2 TYR A 38 75.864 8.938 2.114 1.00 0.00 C ATOM 676 CZ TYR A 38 76.912 9.753 2.558 1.00 0.00 C ATOM 677 OH TYR A 38 77.129 10.980 1.966 1.00 0.00 O ATOM 0 H TYR A 38 75.374 4.060 5.773 1.00 0.00 H new ATOM 0 HA TYR A 38 76.590 6.481 6.456 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.148 5.336 4.392 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.484 5.366 3.845 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.158 7.745 5.007 1.00 0.00 H new ATOM 0 HD2 TYR A 38 74.834 7.065 2.372 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.547 9.952 3.946 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.227 9.269 1.307 1.00 0.00 H new ATOM 0 HH TYR A 38 76.467 11.123 1.258 1.00 0.00 H new ATOM 687 N LYS A 39 73.462 6.760 5.436 1.00 0.00 N ATOM 688 CA LYS A 39 72.337 7.674 5.405 1.00 0.00 C ATOM 689 C LYS A 39 71.990 8.168 6.799 1.00 0.00 C ATOM 690 O LYS A 39 71.687 9.348 6.987 1.00 0.00 O ATOM 691 CB LYS A 39 71.120 6.967 4.796 1.00 0.00 C ATOM 692 CG LYS A 39 71.330 6.778 3.291 1.00 0.00 C ATOM 693 CD LYS A 39 70.124 6.049 2.691 1.00 0.00 C ATOM 694 CE LYS A 39 70.206 6.096 1.165 1.00 0.00 C ATOM 695 NZ LYS A 39 71.452 5.418 0.710 1.00 0.00 N ATOM 0 H LYS A 39 73.257 5.820 5.098 1.00 0.00 H new ATOM 0 HA LYS A 39 72.613 8.535 4.796 1.00 0.00 H new ATOM 0 HB2 LYS A 39 70.972 6.000 5.276 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.219 7.554 4.976 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.460 7.746 2.807 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.240 6.206 3.110 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.104 5.014 3.033 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.199 6.514 3.030 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.334 5.608 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.197 7.131 0.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 71.481 5.406 -0.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 72.280 5.932 1.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 71.466 4.442 1.068 1.00 0.00 H new ATOM 709 N GLN A 40 72.026 7.265 7.770 1.00 0.00 N ATOM 710 CA GLN A 40 71.708 7.629 9.142 1.00 0.00 C ATOM 711 C GLN A 40 72.708 8.644 9.679 1.00 0.00 C ATOM 712 O GLN A 40 72.331 9.603 10.352 1.00 0.00 O ATOM 713 CB GLN A 40 71.735 6.381 10.028 1.00 0.00 C ATOM 714 CG GLN A 40 70.539 5.490 9.694 1.00 0.00 C ATOM 715 CD GLN A 40 70.638 4.172 10.453 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.232 4.119 11.531 1.00 0.00 O ATOM 717 NE2 GLN A 40 70.089 3.098 9.956 1.00 0.00 N ATOM 0 H GLN A 40 72.270 6.284 7.634 1.00 0.00 H new ATOM 0 HA GLN A 40 70.713 8.074 9.155 1.00 0.00 H new ATOM 0 HB2 GLN A 40 72.664 5.833 9.873 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.705 6.668 11.079 1.00 0.00 H new ATOM 0 HG2 GLN A 40 69.612 6.000 9.955 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.506 5.299 8.621 1.00 0.00 H new ATOM 0 HE21 GLN A 40 69.597 3.143 9.063 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.151 2.213 10.460 1.00 0.00 H new ATOM 726 N VAL A 41 73.986 8.433 9.380 1.00 0.00 N ATOM 727 CA VAL A 41 75.025 9.336 9.852 1.00 0.00 C ATOM 728 C VAL A 41 74.828 10.743 9.306 1.00 0.00 C ATOM 729 O VAL A 41 74.922 11.723 10.045 1.00 0.00 O ATOM 730 CB VAL A 41 76.398 8.814 9.417 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.466 9.871 9.710 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.729 7.533 10.190 1.00 0.00 C ATOM 0 H VAL A 41 74.323 7.651 8.818 1.00 0.00 H new ATOM 0 HA VAL A 41 74.966 9.377 10.940 1.00 0.00 H new ATOM 0 HB VAL A 41 76.379 8.601 8.348 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.442 9.498 9.400 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.235 10.784 9.160 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.482 10.085 10.779 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.706 7.163 9.879 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.745 7.747 11.259 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.972 6.777 9.982 1.00 0.00 H new ATOM 742 N LYS A 42 74.556 10.837 8.011 1.00 0.00 N ATOM 743 CA LYS A 42 74.355 12.132 7.375 1.00 0.00 C ATOM 744 C LYS A 42 72.877 12.487 7.336 1.00 0.00 C ATOM 745 O LYS A 42 72.497 13.543 6.823 1.00 0.00 O ATOM 746 CB LYS A 42 74.917 12.100 5.952 1.00 0.00 C ATOM 747 CG LYS A 42 76.395 11.697 5.988 1.00 0.00 C ATOM 748 CD LYS A 42 77.238 12.847 6.552 1.00 0.00 C ATOM 749 CE LYS A 42 78.715 12.579 6.279 1.00 0.00 C ATOM 750 NZ LYS A 42 78.967 12.643 4.813 1.00 0.00 N ATOM 0 H LYS A 42 74.470 10.037 7.384 1.00 0.00 H new ATOM 0 HA LYS A 42 74.878 12.891 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.352 11.393 5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.809 13.079 5.486 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.523 10.806 6.603 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.736 11.443 4.984 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.938 13.790 6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.068 12.945 7.624 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.331 13.314 6.797 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.995 11.599 6.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.289 11.713 4.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.089 12.905 4.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.700 13.355 4.617 1.00 0.00 H new ATOM 764 N GLN A 43 72.043 11.606 7.880 1.00 0.00 N ATOM 765 CA GLN A 43 70.606 11.847 7.900 1.00 0.00 C ATOM 766 C GLN A 43 70.105 12.266 6.523 1.00 0.00 C ATOM 767 O GLN A 43 69.418 13.278 6.387 1.00 0.00 O ATOM 768 CB GLN A 43 70.276 12.937 8.921 1.00 0.00 C ATOM 769 CG GLN A 43 70.709 12.480 10.315 1.00 0.00 C ATOM 770 CD GLN A 43 69.838 11.317 10.777 1.00 0.00 C ATOM 771 OE1 GLN A 43 68.709 11.163 10.312 1.00 0.00 O ATOM 772 NE2 GLN A 43 70.295 10.486 11.675 1.00 0.00 N ATOM 0 H GLN A 43 72.334 10.727 8.309 1.00 0.00 H new ATOM 0 HA GLN A 43 70.108 10.919 8.182 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.785 13.864 8.656 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.206 13.147 8.912 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.756 12.177 10.298 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.628 13.308 11.019 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.231 10.615 12.060 1.00 0.00 H new ATOM 0 HE22 GLN A 43 69.716 9.708 11.992 1.00 0.00 H new ATOM 781 N VAL A 44 70.451 11.483 5.507 1.00 0.00 N ATOM 782 CA VAL A 44 70.034 11.780 4.142 1.00 0.00 C ATOM 783 C VAL A 44 69.408 10.549 3.498 1.00 0.00 C ATOM 784 O VAL A 44 69.187 9.534 4.160 1.00 0.00 O ATOM 785 CB VAL A 44 71.228 12.241 3.308 1.00 0.00 C ATOM 786 CG1 VAL A 44 71.834 13.498 3.937 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.278 11.133 3.271 1.00 0.00 C ATOM 0 H VAL A 44 71.018 10.640 5.602 1.00 0.00 H new ATOM 0 HA VAL A 44 69.294 12.580 4.178 1.00 0.00 H new ATOM 0 HB VAL A 44 70.899 12.465 2.293 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.686 13.828 3.343 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.084 14.288 3.966 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.164 13.274 4.951 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.131 11.460 2.676 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.607 10.910 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.846 10.237 2.824 1.00 0.00 H new ATOM 797 N ALA A 45 69.113 10.647 2.206 1.00 0.00 N ATOM 798 CA ALA A 45 68.505 9.536 1.484 1.00 0.00 C ATOM 799 C ALA A 45 69.141 9.378 0.106 1.00 0.00 C ATOM 800 O ALA A 45 68.669 8.598 -0.722 1.00 0.00 O ATOM 801 CB ALA A 45 67.006 9.779 1.326 1.00 0.00 C ATOM 0 H ALA A 45 69.284 11.479 1.641 1.00 0.00 H new ATOM 0 HA ALA A 45 68.670 8.622 2.055 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.557 8.945 0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.545 9.864 2.310 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.844 10.702 0.769 1.00 0.00 H new ATOM 807 N MET A 46 70.211 10.125 -0.133 1.00 0.00 N ATOM 808 CA MET A 46 70.905 10.066 -1.416 1.00 0.00 C ATOM 809 C MET A 46 72.415 10.090 -1.221 1.00 0.00 C ATOM 810 O MET A 46 72.931 10.864 -0.414 1.00 0.00 O ATOM 811 CB MET A 46 70.484 11.252 -2.287 1.00 0.00 C ATOM 812 CG MET A 46 69.613 10.759 -3.443 1.00 0.00 C ATOM 813 SD MET A 46 70.632 9.804 -4.595 1.00 0.00 S ATOM 814 CE MET A 46 69.325 9.414 -5.785 1.00 0.00 C ATOM 0 H MET A 46 70.617 10.776 0.539 1.00 0.00 H new ATOM 0 HA MET A 46 70.634 9.132 -1.908 1.00 0.00 H new ATOM 0 HB2 MET A 46 69.934 11.978 -1.688 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.366 11.762 -2.675 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.799 10.142 -3.063 1.00 0.00 H new ATOM 0 HG3 MET A 46 69.158 11.605 -3.958 1.00 0.00 H new ATOM 0 HE1 MET A 46 69.739 8.817 -6.598 1.00 0.00 H new ATOM 0 HE2 MET A 46 68.536 8.851 -5.287 1.00 0.00 H new ATOM 0 HE3 MET A 46 68.912 10.339 -6.188 1.00 0.00 H new ATOM 824 N VAL A 47 73.116 9.237 -1.959 1.00 0.00 N ATOM 825 CA VAL A 47 74.569 9.169 -1.856 1.00 0.00 C ATOM 826 C VAL A 47 75.218 9.752 -3.107 1.00 0.00 C ATOM 827 O VAL A 47 74.756 9.519 -4.220 1.00 0.00 O ATOM 828 CB VAL A 47 75.013 7.717 -1.686 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.504 7.677 -1.343 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.209 7.067 -0.563 1.00 0.00 C ATOM 0 H VAL A 47 72.706 8.588 -2.630 1.00 0.00 H new ATOM 0 HA VAL A 47 74.881 9.750 -0.988 1.00 0.00 H new ATOM 0 HB VAL A 47 74.841 7.172 -2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.822 6.641 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.075 8.140 -2.148 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.679 8.221 -0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.525 6.031 -0.441 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.378 7.610 0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.148 7.095 -0.812 1.00 0.00 H new ATOM 840 N ASP A 48 76.277 10.528 -2.915 1.00 0.00 N ATOM 841 CA ASP A 48 76.980 11.148 -4.035 1.00 0.00 C ATOM 842 C ASP A 48 77.737 10.091 -4.832 1.00 0.00 C ATOM 843 O ASP A 48 78.630 9.422 -4.307 1.00 0.00 O ATOM 844 CB ASP A 48 77.965 12.199 -3.519 1.00 0.00 C ATOM 845 CG ASP A 48 78.617 12.920 -4.692 1.00 0.00 C ATOM 846 OD1 ASP A 48 78.504 12.426 -5.803 1.00 0.00 O ATOM 847 OD2 ASP A 48 79.214 13.959 -4.464 1.00 0.00 O ATOM 0 H ASP A 48 76.668 10.744 -1.998 1.00 0.00 H new ATOM 0 HA ASP A 48 76.246 11.628 -4.683 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.445 12.916 -2.884 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.729 11.723 -2.904 1.00 0.00 H new ATOM 852 N ARG A 49 77.370 9.936 -6.101 1.00 0.00 N ATOM 853 CA ARG A 49 78.018 8.949 -6.954 1.00 0.00 C ATOM 854 C ARG A 49 78.217 9.505 -8.360 1.00 0.00 C ATOM 855 O ARG A 49 77.606 10.511 -8.732 1.00 0.00 O ATOM 856 CB ARG A 49 77.166 7.681 -7.029 1.00 0.00 C ATOM 857 CG ARG A 49 76.679 7.307 -5.630 1.00 0.00 C ATOM 858 CD ARG A 49 76.217 5.852 -5.609 1.00 0.00 C ATOM 859 NE ARG A 49 77.361 4.964 -5.435 1.00 0.00 N ATOM 860 CZ ARG A 49 77.198 3.649 -5.325 1.00 0.00 C ATOM 861 NH1 ARG A 49 76.001 3.134 -5.376 1.00 0.00 N ATOM 862 NH2 ARG A 49 78.238 2.876 -5.170 1.00 0.00 N ATOM 0 H ARG A 49 76.634 10.476 -6.556 1.00 0.00 H new ATOM 0 HA ARG A 49 78.991 8.711 -6.524 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.315 7.841 -7.691 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.749 6.863 -7.453 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.481 7.453 -4.906 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.859 7.962 -5.334 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.503 5.701 -4.799 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.700 5.613 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 49 78.301 5.358 -5.397 1.00 0.00 H new ATOM 0 HH11 ARG A 49 75.190 3.740 -5.500 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.876 2.125 -5.292 1.00 0.00 H new ATOM 0 HH21 ARG A 49 79.173 3.281 -5.133 1.00 0.00 H new ATOM 0 HH22 ARG A 49 78.115 1.867 -5.085 1.00 0.00 H new ATOM 876 N TRP A 50 79.070 8.843 -9.139 1.00 0.00 N ATOM 877 CA TRP A 50 79.333 9.286 -10.496 1.00 0.00 C ATOM 878 C TRP A 50 78.400 8.595 -11.492 1.00 0.00 C ATOM 879 O TRP A 50 78.087 7.427 -11.337 1.00 0.00 O ATOM 880 CB TRP A 50 80.780 8.992 -10.883 1.00 0.00 C ATOM 881 CG TRP A 50 81.691 9.773 -9.993 1.00 0.00 C ATOM 882 CD1 TRP A 50 82.076 9.398 -8.753 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.344 11.049 -10.256 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.917 10.364 -8.233 1.00 0.00 N ATOM 885 CE2 TRP A 50 83.115 11.401 -9.123 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.341 11.928 -11.354 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.857 12.582 -9.082 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.087 13.117 -11.315 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.844 13.443 -10.181 1.00 0.00 C ATOM 0 H TRP A 50 79.583 8.009 -8.854 1.00 0.00 H new ATOM 0 HA TRP A 50 79.155 10.361 -10.530 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.985 7.926 -10.789 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.952 9.259 -11.926 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.775 8.491 -8.250 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.339 10.317 -7.306 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.761 11.687 -12.233 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.438 12.829 -8.205 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.078 13.785 -12.164 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.416 14.359 -10.158 1.00 0.00 H new ATOM 900 N PRO A 51 77.967 9.283 -12.510 1.00 0.00 N ATOM 901 CA PRO A 51 77.056 8.704 -13.543 1.00 0.00 C ATOM 902 C PRO A 51 77.732 7.615 -14.367 1.00 0.00 C ATOM 903 O PRO A 51 77.088 6.659 -14.800 1.00 0.00 O ATOM 904 CB PRO A 51 76.697 9.913 -14.413 1.00 0.00 C ATOM 905 CG PRO A 51 77.813 10.883 -14.216 1.00 0.00 C ATOM 906 CD PRO A 51 78.306 10.679 -12.799 1.00 0.00 C ATOM 0 HA PRO A 51 76.188 8.215 -13.101 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.602 9.629 -15.461 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.742 10.345 -14.112 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.613 10.707 -14.935 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.470 11.907 -14.365 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.379 10.855 -12.719 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.818 11.362 -12.103 1.00 0.00 H new ATOM 914 N GLU A 52 79.024 7.782 -14.605 1.00 0.00 N ATOM 915 CA GLU A 52 79.770 6.819 -15.412 1.00 0.00 C ATOM 916 C GLU A 52 79.447 5.393 -14.982 1.00 0.00 C ATOM 917 O GLU A 52 79.151 4.542 -15.822 1.00 0.00 O ATOM 918 CB GLU A 52 81.274 7.056 -15.244 1.00 0.00 C ATOM 919 CG GLU A 52 81.685 8.321 -16.000 1.00 0.00 C ATOM 920 CD GLU A 52 81.620 8.069 -17.503 1.00 0.00 C ATOM 921 OE1 GLU A 52 81.588 6.911 -17.889 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.605 9.036 -18.247 1.00 0.00 O ATOM 0 H GLU A 52 79.576 8.566 -14.257 1.00 0.00 H new ATOM 0 HA GLU A 52 79.483 6.954 -16.455 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.520 7.157 -14.187 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.831 6.198 -15.621 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.026 9.146 -15.732 1.00 0.00 H new ATOM 0 HG3 GLU A 52 82.695 8.614 -15.715 1.00 0.00 H new ATOM 929 N THR A 53 79.490 5.145 -13.680 1.00 0.00 N ATOM 930 CA THR A 53 79.189 3.818 -13.158 1.00 0.00 C ATOM 931 C THR A 53 78.195 3.891 -12.004 1.00 0.00 C ATOM 932 O THR A 53 77.355 3.006 -11.839 1.00 0.00 O ATOM 933 CB THR A 53 80.479 3.167 -12.678 1.00 0.00 C ATOM 934 OG1 THR A 53 81.172 4.075 -11.838 1.00 0.00 O ATOM 935 CG2 THR A 53 81.364 2.807 -13.873 1.00 0.00 C ATOM 0 H THR A 53 79.728 5.838 -12.971 1.00 0.00 H new ATOM 0 HA THR A 53 78.740 3.225 -13.955 1.00 0.00 H new ATOM 0 HB THR A 53 80.239 2.257 -12.128 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.270 3.684 -10.945 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.284 2.342 -13.518 1.00 0.00 H new ATOM 0 HG22 THR A 53 80.833 2.111 -14.522 1.00 0.00 H new ATOM 0 HG23 THR A 53 81.607 3.711 -14.431 1.00 0.00 H new ATOM 943 N GLY A 54 78.293 4.952 -11.214 1.00 0.00 N ATOM 944 CA GLY A 54 77.395 5.120 -10.071 1.00 0.00 C ATOM 945 C GLY A 54 78.078 4.723 -8.776 1.00 0.00 C ATOM 946 O GLY A 54 77.417 4.417 -7.791 1.00 0.00 O ATOM 0 H GLY A 54 78.974 5.701 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.069 6.158 -10.010 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.501 4.513 -10.215 1.00 0.00 H new ATOM 950 N TYR A 55 79.410 4.735 -8.781 1.00 0.00 N ATOM 951 CA TYR A 55 80.171 4.382 -7.589 1.00 0.00 C ATOM 952 C TYR A 55 80.230 5.548 -6.621 1.00 0.00 C ATOM 953 O TYR A 55 80.037 6.694 -7.011 1.00 0.00 O ATOM 954 CB TYR A 55 81.592 3.965 -7.976 1.00 0.00 C ATOM 955 CG TYR A 55 81.556 2.681 -8.774 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.846 1.568 -8.301 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.230 2.601 -9.991 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.810 0.396 -9.042 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.197 1.422 -10.740 1.00 0.00 C ATOM 960 CZ TYR A 55 81.482 0.316 -10.264 1.00 0.00 C ATOM 961 OH TYR A 55 81.442 -0.853 -10.993 1.00 0.00 O ATOM 0 H TYR A 55 79.978 4.983 -9.591 1.00 0.00 H new ATOM 0 HA TYR A 55 79.668 3.547 -7.100 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.064 4.754 -8.562 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.197 3.829 -7.079 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.325 1.624 -7.356 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.781 3.455 -10.357 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.261 -0.457 -8.673 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.721 1.364 -11.683 1.00 0.00 H new ATOM 0 HH TYR A 55 82.030 -1.518 -10.577 1.00 0.00 H new ATOM 971 N VAL A 56 80.486 5.246 -5.349 1.00 0.00 N ATOM 972 CA VAL A 56 80.546 6.286 -4.332 1.00 0.00 C ATOM 973 C VAL A 56 81.651 7.289 -4.654 1.00 0.00 C ATOM 974 O VAL A 56 82.824 6.927 -4.743 1.00 0.00 O ATOM 975 CB VAL A 56 80.817 5.657 -2.960 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.833 6.744 -1.882 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.721 4.638 -2.639 1.00 0.00 C ATOM 0 H VAL A 56 80.653 4.301 -5.004 1.00 0.00 H new ATOM 0 HA VAL A 56 79.589 6.807 -4.316 1.00 0.00 H new ATOM 0 HB VAL A 56 81.786 5.158 -2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 56 81.026 6.290 -0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.617 7.468 -2.106 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.868 7.250 -1.861 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.914 4.191 -1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.753 5.138 -2.624 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.715 3.858 -3.401 1.00 0.00 H new ATOM 987 N LYS A 57 81.264 8.552 -4.812 1.00 0.00 N ATOM 988 CA LYS A 57 82.230 9.604 -5.103 1.00 0.00 C ATOM 989 C LYS A 57 83.030 9.960 -3.855 1.00 0.00 C ATOM 990 O LYS A 57 84.258 10.024 -3.890 1.00 0.00 O ATOM 991 CB LYS A 57 81.505 10.846 -5.630 1.00 0.00 C ATOM 992 CG LYS A 57 82.482 12.025 -5.685 1.00 0.00 C ATOM 993 CD LYS A 57 81.836 13.187 -6.435 1.00 0.00 C ATOM 994 CE LYS A 57 82.694 14.444 -6.260 1.00 0.00 C ATOM 995 NZ LYS A 57 82.627 14.896 -4.842 1.00 0.00 N ATOM 0 H LYS A 57 80.297 8.869 -4.744 1.00 0.00 H new ATOM 0 HA LYS A 57 82.920 9.240 -5.864 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.100 10.649 -6.623 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.662 11.089 -4.984 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.752 12.335 -4.675 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.404 11.724 -6.183 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.740 12.943 -7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.829 13.364 -6.056 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.727 14.234 -6.538 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.340 15.234 -6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.842 15.912 -4.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.672 14.725 -4.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 83.321 14.367 -4.276 1.00 0.00 H new ATOM 1009 N LYS A 58 82.321 10.190 -2.755 1.00 0.00 N ATOM 1010 CA LYS A 58 82.975 10.538 -1.498 1.00 0.00 C ATOM 1011 C LYS A 58 82.238 9.905 -0.328 1.00 0.00 C ATOM 1012 O LYS A 58 81.020 9.725 -0.374 1.00 0.00 O ATOM 1013 CB LYS A 58 83.010 12.060 -1.330 1.00 0.00 C ATOM 1014 CG LYS A 58 81.583 12.608 -1.304 1.00 0.00 C ATOM 1015 CD LYS A 58 81.624 14.133 -1.204 1.00 0.00 C ATOM 1016 CE LYS A 58 80.196 14.681 -1.176 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.237 16.168 -1.079 1.00 0.00 N ATOM 0 H LYS A 58 81.303 10.143 -2.707 1.00 0.00 H new ATOM 0 HA LYS A 58 83.996 10.158 -1.518 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.527 12.322 -0.407 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.569 12.513 -2.149 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.050 12.306 -2.206 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.038 12.192 -0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.158 14.435 -0.303 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.168 14.549 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.661 14.379 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.652 14.265 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.267 16.542 -1.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 80.732 16.446 -0.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.741 16.556 -1.902 1.00 0.00 H new ATOM 1031 N LEU A 59 82.981 9.572 0.725 1.00 0.00 N ATOM 1032 CA LEU A 59 82.378 8.961 1.902 1.00 0.00 C ATOM 1033 C LEU A 59 83.108 9.392 3.170 1.00 0.00 C ATOM 1034 O LEU A 59 84.334 9.325 3.249 1.00 0.00 O ATOM 1035 CB LEU A 59 82.433 7.437 1.772 1.00 0.00 C ATOM 1036 CG LEU A 59 81.188 6.804 2.342 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.961 7.260 1.551 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.290 5.279 2.285 1.00 0.00 C ATOM 0 H LEU A 59 83.989 9.714 0.786 1.00 0.00 H new ATOM 0 HA LEU A 59 81.341 9.289 1.971 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.539 7.161 0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.311 7.055 2.292 1.00 0.00 H new ATOM 0 HG LEU A 59 81.088 7.115 3.382 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.066 6.798 1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.872 8.345 1.611 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.069 6.962 0.508 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.384 4.838 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.407 4.961 1.249 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.152 4.950 2.865 1.00 0.00 H new ATOM 1050 N GLN A 60 82.340 9.829 4.163 1.00 0.00 N ATOM 1051 CA GLN A 60 82.917 10.267 5.430 1.00 0.00 C ATOM 1052 C GLN A 60 83.227 9.069 6.321 1.00 0.00 C ATOM 1053 O GLN A 60 82.417 8.161 6.465 1.00 0.00 O ATOM 1054 CB GLN A 60 81.950 11.199 6.154 1.00 0.00 C ATOM 1055 CG GLN A 60 82.699 11.940 7.270 1.00 0.00 C ATOM 1056 CD GLN A 60 81.702 12.450 8.306 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.692 11.798 8.571 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.933 13.577 8.921 1.00 0.00 N ATOM 0 H GLN A 60 81.323 9.889 4.116 1.00 0.00 H new ATOM 0 HA GLN A 60 83.844 10.800 5.216 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.521 11.914 5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.122 10.628 6.573 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.420 11.273 7.742 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.262 12.774 6.852 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.770 14.116 8.700 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.276 13.919 9.623 1.00 0.00 H new ATOM 1067 N ARG A 61 84.415 9.064 6.897 1.00 0.00 N ATOM 1068 CA ARG A 61 84.834 7.956 7.756 1.00 0.00 C ATOM 1069 C ARG A 61 84.143 8.043 9.117 1.00 0.00 C ATOM 1070 O ARG A 61 83.549 9.065 9.453 1.00 0.00 O ATOM 1071 CB ARG A 61 86.352 7.972 7.947 1.00 0.00 C ATOM 1072 CG ARG A 61 87.037 8.162 6.590 1.00 0.00 C ATOM 1073 CD ARG A 61 88.211 7.193 6.465 1.00 0.00 C ATOM 1074 NE ARG A 61 89.069 7.285 7.647 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.184 6.274 8.505 1.00 0.00 C ATOM 1076 NH1 ARG A 61 88.523 5.165 8.309 1.00 0.00 N ATOM 1077 NH2 ARG A 61 89.958 6.391 9.547 1.00 0.00 N ATOM 0 H ARG A 61 85.107 9.806 6.791 1.00 0.00 H new ATOM 0 HA ARG A 61 84.547 7.023 7.272 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.635 8.777 8.625 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.681 7.039 8.405 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.323 7.989 5.784 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.388 9.189 6.490 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.841 6.174 6.354 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.788 7.422 5.569 1.00 0.00 H new ATOM 0 HE ARG A 61 89.591 8.144 7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 61 87.915 5.071 7.495 1.00 0.00 H new ATOM 0 HH12 ARG A 61 88.615 4.393 8.970 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.475 7.256 9.704 1.00 0.00 H new ATOM 0 HH22 ARG A 61 90.047 5.617 10.205 1.00 0.00 H new ATOM 1091 N ARG A 62 84.247 6.975 9.890 1.00 0.00 N ATOM 1092 CA ARG A 62 83.643 6.950 11.218 1.00 0.00 C ATOM 1093 C ARG A 62 84.363 7.918 12.152 1.00 0.00 C ATOM 1094 O ARG A 62 83.936 8.141 13.286 1.00 0.00 O ATOM 1095 CB ARG A 62 83.703 5.541 11.803 1.00 0.00 C ATOM 1096 CG ARG A 62 82.292 4.944 11.864 1.00 0.00 C ATOM 1097 CD ARG A 62 82.286 3.719 12.776 1.00 0.00 C ATOM 1098 NE ARG A 62 82.786 2.553 12.062 1.00 0.00 N ATOM 1099 CZ ARG A 62 82.599 1.328 12.530 1.00 0.00 C ATOM 1100 NH1 ARG A 62 81.954 1.151 13.649 1.00 0.00 N ATOM 1101 NH2 ARG A 62 83.060 0.299 11.870 1.00 0.00 N ATOM 0 H ARG A 62 84.738 6.120 9.628 1.00 0.00 H new ATOM 0 HA ARG A 62 82.601 7.255 11.122 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.349 4.911 11.191 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.139 5.570 12.802 1.00 0.00 H new ATOM 0 HG2 ARG A 62 81.588 5.689 12.236 1.00 0.00 H new ATOM 0 HG3 ARG A 62 81.962 4.665 10.863 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.904 3.908 13.654 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.274 3.528 13.133 1.00 0.00 H new ATOM 0 HE ARG A 62 83.290 2.682 11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 62 81.594 1.955 14.163 1.00 0.00 H new ATOM 0 HH12 ARG A 62 81.809 0.208 14.011 1.00 0.00 H new ATOM 0 HH21 ARG A 62 83.564 0.439 10.994 1.00 0.00 H new ATOM 0 HH22 ARG A 62 82.916 -0.644 12.230 1.00 0.00 H new ATOM 1115 N ASP A 63 85.462 8.491 11.665 1.00 0.00 N ATOM 1116 CA ASP A 63 86.239 9.434 12.458 1.00 0.00 C ATOM 1117 C ASP A 63 85.920 10.859 12.057 1.00 0.00 C ATOM 1118 O ASP A 63 86.616 11.788 12.460 1.00 0.00 O ATOM 1119 CB ASP A 63 87.728 9.175 12.286 1.00 0.00 C ATOM 1120 CG ASP A 63 88.111 7.868 12.970 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.298 7.356 13.723 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.214 7.403 12.739 1.00 0.00 O ATOM 0 H ASP A 63 85.831 8.318 10.730 1.00 0.00 H new ATOM 0 HA ASP A 63 85.972 9.294 13.506 1.00 0.00 H new ATOM 0 HB2 ASP A 63 87.977 9.127 11.226 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.301 9.999 12.711 1.00 0.00 H new ATOM 1127 N ASN A 64 84.864 11.038 11.258 1.00 0.00 N ATOM 1128 CA ASN A 64 84.464 12.359 10.816 1.00 0.00 C ATOM 1129 C ASN A 64 85.479 12.944 9.840 1.00 0.00 C ATOM 1130 O ASN A 64 85.731 14.150 9.844 1.00 0.00 O ATOM 1131 CB ASN A 64 84.307 13.292 12.014 1.00 0.00 C ATOM 1132 CG ASN A 64 83.511 12.596 13.113 1.00 0.00 C ATOM 1133 OD1 ASN A 64 82.655 11.759 12.831 1.00 0.00 O ATOM 1134 ND2 ASN A 64 83.739 12.906 14.358 1.00 0.00 N ATOM 0 H ASN A 64 84.277 10.280 10.909 1.00 0.00 H new ATOM 0 HA ASN A 64 83.507 12.264 10.303 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.288 13.582 12.391 1.00 0.00 H new ATOM 0 HB3 ASN A 64 83.799 14.207 11.709 1.00 0.00 H new ATOM 0 HD21 ASN A 64 83.207 12.454 15.102 1.00 0.00 H new ATOM 0 HD22 ASN A 64 84.450 13.600 14.589 1.00 0.00 H new ATOM 1141 N THR A 65 86.037 12.083 8.993 1.00 0.00 N ATOM 1142 CA THR A 65 87.010 12.526 7.998 1.00 0.00 C ATOM 1143 C THR A 65 86.510 12.209 6.595 1.00 0.00 C ATOM 1144 O THR A 65 86.097 11.087 6.310 1.00 0.00 O ATOM 1145 CB THR A 65 88.358 11.842 8.238 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.160 10.445 8.361 1.00 0.00 O ATOM 1147 CG2 THR A 65 88.988 12.388 9.515 1.00 0.00 C ATOM 0 H THR A 65 85.835 11.083 8.975 1.00 0.00 H new ATOM 0 HA THR A 65 87.138 13.604 8.092 1.00 0.00 H new ATOM 0 HB THR A 65 89.023 12.041 7.398 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.022 10.005 8.513 1.00 0.00 H new ATOM 0 HG21 THR A 65 89.948 11.900 9.685 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.140 13.463 9.415 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.327 12.192 10.359 1.00 0.00 H new ATOM 1155 N PHE A 66 86.536 13.209 5.722 1.00 0.00 N ATOM 1156 CA PHE A 66 86.070 13.025 4.350 1.00 0.00 C ATOM 1157 C PHE A 66 87.106 12.275 3.524 1.00 0.00 C ATOM 1158 O PHE A 66 88.253 12.708 3.417 1.00 0.00 O ATOM 1159 CB PHE A 66 85.792 14.385 3.706 1.00 0.00 C ATOM 1160 CG PHE A 66 84.535 14.979 4.300 1.00 0.00 C ATOM 1161 CD1 PHE A 66 84.604 15.752 5.463 1.00 0.00 C ATOM 1162 CD2 PHE A 66 83.298 14.754 3.682 1.00 0.00 C ATOM 1163 CE1 PHE A 66 83.438 16.301 6.010 1.00 0.00 C ATOM 1164 CE2 PHE A 66 82.131 15.302 4.229 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.202 16.077 5.393 1.00 0.00 C ATOM 0 H PHE A 66 86.871 14.148 5.935 1.00 0.00 H new ATOM 0 HA PHE A 66 85.152 12.439 4.377 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.636 15.055 3.869 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.679 14.272 2.628 1.00 0.00 H new ATOM 0 HD1 PHE A 66 85.557 15.926 5.940 1.00 0.00 H new ATOM 0 HD2 PHE A 66 83.244 14.158 2.783 1.00 0.00 H new ATOM 0 HE1 PHE A 66 83.492 16.898 6.909 1.00 0.00 H new ATOM 0 HE2 PHE A 66 81.177 15.127 3.753 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.303 16.502 5.815 1.00 0.00 H new ATOM 1175 N PHE A 67 86.693 11.151 2.941 1.00 0.00 N ATOM 1176 CA PHE A 67 87.593 10.349 2.124 1.00 0.00 C ATOM 1177 C PHE A 67 87.034 10.194 0.714 1.00 0.00 C ATOM 1178 O PHE A 67 85.933 9.673 0.523 1.00 0.00 O ATOM 1179 CB PHE A 67 87.785 8.970 2.755 1.00 0.00 C ATOM 1180 CG PHE A 67 88.905 8.245 2.045 1.00 0.00 C ATOM 1181 CD1 PHE A 67 90.237 8.551 2.349 1.00 0.00 C ATOM 1182 CD2 PHE A 67 88.610 7.269 1.088 1.00 0.00 C ATOM 1183 CE1 PHE A 67 91.275 7.880 1.695 1.00 0.00 C ATOM 1184 CE2 PHE A 67 89.650 6.598 0.432 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.983 6.904 0.735 1.00 0.00 C ATOM 0 H PHE A 67 85.746 10.779 3.020 1.00 0.00 H new ATOM 0 HA PHE A 67 88.556 10.857 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 67 88.017 9.072 3.815 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.862 8.394 2.685 1.00 0.00 H new ATOM 0 HD1 PHE A 67 90.463 9.305 3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 67 87.582 7.033 0.855 1.00 0.00 H new ATOM 0 HE1 PHE A 67 92.302 8.115 1.931 1.00 0.00 H new ATOM 0 HE2 PHE A 67 89.424 5.844 -0.308 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.785 6.387 0.228 1.00 0.00 H new ATOM 1195 N TYR A 68 87.797 10.651 -0.273 1.00 0.00 N ATOM 1196 CA TYR A 68 87.365 10.558 -1.662 1.00 0.00 C ATOM 1197 C TYR A 68 87.662 9.170 -2.221 1.00 0.00 C ATOM 1198 O TYR A 68 88.742 8.621 -2.004 1.00 0.00 O ATOM 1199 CB TYR A 68 88.085 11.614 -2.505 1.00 0.00 C ATOM 1200 CG TYR A 68 87.567 12.987 -2.148 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.279 13.371 -2.541 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.370 13.873 -1.422 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.795 14.641 -2.210 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.886 15.144 -1.090 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.599 15.528 -1.484 1.00 0.00 C ATOM 1206 OH TYR A 68 86.122 16.782 -1.158 1.00 0.00 O ATOM 0 H TYR A 68 88.710 11.086 -0.139 1.00 0.00 H new ATOM 0 HA TYR A 68 86.290 10.733 -1.702 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.160 11.563 -2.330 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.925 11.418 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.659 12.686 -3.100 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.363 13.577 -1.118 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.802 14.937 -2.514 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.506 15.828 -0.530 1.00 0.00 H new ATOM 0 HH TYR A 68 86.805 17.271 -0.653 1.00 0.00 H new ATOM 1216 N TYR A 69 86.698 8.615 -2.946 1.00 0.00 N ATOM 1217 CA TYR A 69 86.856 7.292 -3.542 1.00 0.00 C ATOM 1218 C TYR A 69 87.029 7.397 -5.052 1.00 0.00 C ATOM 1219 O TYR A 69 86.615 8.380 -5.666 1.00 0.00 O ATOM 1220 CB TYR A 69 85.648 6.417 -3.217 1.00 0.00 C ATOM 1221 CG TYR A 69 85.795 5.854 -1.823 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.628 4.747 -1.605 1.00 0.00 C ATOM 1223 CD2 TYR A 69 85.097 6.426 -0.751 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.763 4.215 -0.318 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.238 5.886 0.533 1.00 0.00 C ATOM 1226 CZ TYR A 69 86.067 4.785 0.750 1.00 0.00 C ATOM 1227 OH TYR A 69 86.201 4.263 2.021 1.00 0.00 O ATOM 0 H TYR A 69 85.800 9.059 -3.136 1.00 0.00 H new ATOM 0 HA TYR A 69 87.751 6.834 -3.121 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.731 7.002 -3.290 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.567 5.607 -3.941 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.165 4.305 -2.431 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.454 7.278 -0.914 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.406 3.363 -0.151 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.701 6.325 1.361 1.00 0.00 H new ATOM 0 HH TYR A 69 85.445 3.670 2.212 1.00 0.00 H new ATOM 1237 N ASN A 70 87.637 6.374 -5.648 1.00 0.00 N ATOM 1238 CA ASN A 70 87.855 6.366 -7.089 1.00 0.00 C ATOM 1239 C ASN A 70 86.680 5.703 -7.805 1.00 0.00 C ATOM 1240 O ASN A 70 86.292 4.586 -7.475 1.00 0.00 O ATOM 1241 CB ASN A 70 89.146 5.612 -7.415 1.00 0.00 C ATOM 1242 CG ASN A 70 88.852 4.130 -7.617 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.525 3.706 -8.725 1.00 0.00 O ATOM 1244 ND2 ASN A 70 88.940 3.311 -6.604 1.00 0.00 N ATOM 0 H ASN A 70 87.984 5.548 -5.160 1.00 0.00 H new ATOM 0 HA ASN A 70 87.939 7.397 -7.432 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.601 6.026 -8.315 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.865 5.741 -6.606 1.00 0.00 H new ATOM 0 HD21 ASN A 70 88.738 2.319 -6.731 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.211 3.663 -5.686 1.00 0.00 H new ATOM 1251 N LYS A 71 86.125 6.401 -8.789 1.00 0.00 N ATOM 1252 CA LYS A 71 85.001 5.872 -9.554 1.00 0.00 C ATOM 1253 C LYS A 71 85.487 4.859 -10.586 1.00 0.00 C ATOM 1254 O LYS A 71 84.706 4.111 -11.159 1.00 0.00 O ATOM 1255 CB LYS A 71 84.256 7.009 -10.250 1.00 0.00 C ATOM 1256 CG LYS A 71 85.202 7.717 -11.218 1.00 0.00 C ATOM 1257 CD LYS A 71 84.730 7.482 -12.653 1.00 0.00 C ATOM 1258 CE LYS A 71 85.777 8.019 -13.631 1.00 0.00 C ATOM 1259 NZ LYS A 71 86.791 8.817 -12.883 1.00 0.00 N ATOM 0 H LYS A 71 86.433 7.330 -9.075 1.00 0.00 H new ATOM 0 HA LYS A 71 84.321 5.370 -8.866 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.393 6.617 -10.789 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.877 7.716 -9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.228 8.785 -11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.217 7.341 -11.091 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.570 6.418 -12.824 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.774 7.979 -12.818 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.261 7.193 -14.153 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.298 8.638 -14.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.513 9.169 -13.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 86.325 9.623 -12.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 87.243 8.217 -12.164 1.00 0.00 H new ATOM 1273 N GLU A 72 86.783 4.852 -10.834 1.00 0.00 N ATOM 1274 CA GLU A 72 87.350 3.932 -11.811 1.00 0.00 C ATOM 1275 C GLU A 72 87.595 2.572 -11.197 1.00 0.00 C ATOM 1276 O GLU A 72 88.743 2.173 -11.006 1.00 0.00 O ATOM 1277 CB GLU A 72 88.675 4.489 -12.349 1.00 0.00 C ATOM 1278 CG GLU A 72 88.409 5.728 -13.205 1.00 0.00 C ATOM 1279 CD GLU A 72 89.726 6.333 -13.678 1.00 0.00 C ATOM 1280 OE1 GLU A 72 90.761 5.895 -13.205 1.00 0.00 O ATOM 1281 OE2 GLU A 72 89.681 7.225 -14.509 1.00 0.00 O ATOM 0 H GLU A 72 87.460 5.465 -10.380 1.00 0.00 H new ATOM 0 HA GLU A 72 86.635 3.825 -12.627 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.336 4.744 -11.520 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.185 3.729 -12.942 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.794 5.460 -14.064 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.848 6.464 -12.629 1.00 0.00 H new ATOM 1365 N LYS A 78 91.569 -10.111 -5.134 1.00 0.00 N ATOM 1366 CA LYS A 78 92.339 -9.925 -3.913 1.00 0.00 C ATOM 1367 C LYS A 78 91.515 -9.174 -2.864 1.00 0.00 C ATOM 1368 O LYS A 78 91.564 -9.497 -1.673 1.00 0.00 O ATOM 1369 CB LYS A 78 93.616 -9.142 -4.212 1.00 0.00 C ATOM 1370 CG LYS A 78 94.454 -9.024 -2.936 1.00 0.00 C ATOM 1371 CD LYS A 78 95.813 -8.394 -3.264 1.00 0.00 C ATOM 1372 CE LYS A 78 95.640 -6.893 -3.517 1.00 0.00 C ATOM 1373 NZ LYS A 78 96.977 -6.245 -3.580 1.00 0.00 N ATOM 0 HA LYS A 78 92.599 -10.908 -3.521 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.189 -9.645 -4.991 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.367 -8.150 -4.589 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.929 -8.415 -2.200 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.597 -10.009 -2.491 1.00 0.00 H new ATOM 0 HD2 LYS A 78 96.508 -8.556 -2.440 1.00 0.00 H new ATOM 0 HD3 LYS A 78 96.244 -8.873 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 78 95.101 -6.730 -4.450 1.00 0.00 H new ATOM 0 HE3 LYS A 78 95.044 -6.445 -2.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 96.861 -5.226 -3.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 97.476 -6.390 -2.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 97.531 -6.666 -4.353 1.00 0.00 H new ATOM 1387 N GLU A 79 90.749 -8.172 -3.306 1.00 0.00 N ATOM 1388 CA GLU A 79 89.936 -7.394 -2.400 1.00 0.00 C ATOM 1389 C GLU A 79 88.641 -8.129 -2.085 1.00 0.00 C ATOM 1390 O GLU A 79 88.090 -7.990 -0.994 1.00 0.00 O ATOM 1391 CB GLU A 79 89.625 -6.037 -3.036 1.00 0.00 C ATOM 1392 CG GLU A 79 89.564 -4.971 -1.950 1.00 0.00 C ATOM 1393 CD GLU A 79 90.949 -4.379 -1.711 1.00 0.00 C ATOM 1394 OE1 GLU A 79 91.279 -3.411 -2.376 1.00 0.00 O ATOM 1395 OE2 GLU A 79 91.661 -4.903 -0.871 1.00 0.00 O ATOM 0 H GLU A 79 90.683 -7.890 -4.284 1.00 0.00 H new ATOM 0 HA GLU A 79 90.483 -7.244 -1.469 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.391 -5.782 -3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.676 -6.082 -3.570 1.00 0.00 H new ATOM 0 HG2 GLU A 79 88.870 -4.183 -2.243 1.00 0.00 H new ATOM 0 HG3 GLU A 79 89.182 -5.405 -1.026 1.00 0.00 H new ATOM 1402 N VAL A 80 88.148 -8.901 -3.050 1.00 0.00 N ATOM 1403 CA VAL A 80 86.905 -9.642 -2.855 1.00 0.00 C ATOM 1404 C VAL A 80 87.032 -10.566 -1.646 1.00 0.00 C ATOM 1405 O VAL A 80 86.133 -10.640 -0.811 1.00 0.00 O ATOM 1406 CB VAL A 80 86.607 -10.480 -4.096 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.413 -11.390 -3.820 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.282 -9.551 -5.269 1.00 0.00 C ATOM 0 H VAL A 80 88.583 -9.029 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 80 86.094 -8.933 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 80 87.477 -11.089 -4.344 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.199 -11.989 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.644 -12.049 -2.983 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.542 -10.783 -3.574 1.00 0.00 H new ATOM 0 HG21 VAL A 80 86.069 -10.147 -6.157 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.411 -8.944 -5.022 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.134 -8.900 -5.465 1.00 0.00 H new ATOM 1418 N HIS A 81 88.153 -11.273 -1.562 1.00 0.00 N ATOM 1419 CA HIS A 81 88.384 -12.195 -0.453 1.00 0.00 C ATOM 1420 C HIS A 81 88.610 -11.435 0.850 1.00 0.00 C ATOM 1421 O HIS A 81 88.117 -11.835 1.907 1.00 0.00 O ATOM 1422 CB HIS A 81 89.602 -13.074 -0.743 1.00 0.00 C ATOM 1423 CG HIS A 81 89.256 -14.069 -1.817 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.268 -13.739 -3.163 1.00 0.00 N ATOM 1425 CD2 HIS A 81 88.889 -15.391 -1.759 1.00 0.00 C ATOM 1426 CE1 HIS A 81 88.917 -14.838 -3.855 1.00 0.00 C ATOM 1427 NE2 HIS A 81 88.676 -15.874 -3.047 1.00 0.00 N ATOM 0 H HIS A 81 88.912 -11.227 -2.242 1.00 0.00 H new ATOM 0 HA HIS A 81 87.498 -12.821 -0.346 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.442 -12.457 -1.061 1.00 0.00 H new ATOM 0 HB3 HIS A 81 89.913 -13.594 0.163 1.00 0.00 H new ATOM 0 HD2 HIS A 81 88.782 -15.968 -0.852 1.00 0.00 H new ATOM 0 HE1 HIS A 81 88.840 -14.878 -4.931 1.00 0.00 H new ATOM 0 HE2 HIS A 81 88.396 -16.817 -3.316 1.00 0.00 H new ATOM 1435 N LYS A 82 89.353 -10.334 0.767 1.00 0.00 N ATOM 1436 CA LYS A 82 89.632 -9.526 1.947 1.00 0.00 C ATOM 1437 C LYS A 82 88.373 -8.807 2.423 1.00 0.00 C ATOM 1438 O LYS A 82 88.235 -8.490 3.605 1.00 0.00 O ATOM 1439 CB LYS A 82 90.714 -8.497 1.623 1.00 0.00 C ATOM 1440 CG LYS A 82 92.043 -9.213 1.371 1.00 0.00 C ATOM 1441 CD LYS A 82 93.041 -8.840 2.469 1.00 0.00 C ATOM 1442 CE LYS A 82 93.413 -7.362 2.342 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.186 -6.680 3.648 1.00 0.00 N ATOM 0 H LYS A 82 89.768 -9.985 -0.097 1.00 0.00 H new ATOM 0 HA LYS A 82 89.977 -10.187 2.742 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.429 -7.918 0.744 1.00 0.00 H new ATOM 0 HB3 LYS A 82 90.819 -7.793 2.448 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.890 -10.292 1.356 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.439 -8.934 0.395 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.607 -9.033 3.450 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.935 -9.459 2.388 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.457 -7.263 2.044 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.813 -6.890 1.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.439 -5.675 3.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.184 -6.764 3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 93.777 -7.125 4.379 1.00 0.00 H new ATOM 1457 N VAL A 83 87.463 -8.544 1.495 1.00 0.00 N ATOM 1458 CA VAL A 83 86.222 -7.851 1.823 1.00 0.00 C ATOM 1459 C VAL A 83 85.145 -8.837 2.258 1.00 0.00 C ATOM 1460 O VAL A 83 84.954 -9.873 1.625 1.00 0.00 O ATOM 1461 CB VAL A 83 85.729 -7.062 0.611 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.345 -6.478 0.908 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.704 -5.921 0.316 1.00 0.00 C ATOM 0 H VAL A 83 87.559 -8.799 0.512 1.00 0.00 H new ATOM 0 HA VAL A 83 86.423 -7.168 2.649 1.00 0.00 H new ATOM 0 HB VAL A 83 85.668 -7.726 -0.252 1.00 0.00 H new ATOM 0 HG11 VAL A 83 83.994 -5.915 0.043 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.647 -7.287 1.122 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.407 -5.815 1.771 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.353 -5.357 -0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 83 86.763 -5.260 1.181 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.691 -6.332 0.105 1.00 0.00 H new ATOM 1473 N LYS A 84 84.444 -8.501 3.339 1.00 0.00 N ATOM 1474 CA LYS A 84 83.379 -9.360 3.848 1.00 0.00 C ATOM 1475 C LYS A 84 82.030 -8.658 3.731 1.00 0.00 C ATOM 1476 O LYS A 84 81.889 -7.498 4.108 1.00 0.00 O ATOM 1477 CB LYS A 84 83.649 -9.718 5.311 1.00 0.00 C ATOM 1478 CG LYS A 84 84.018 -8.461 6.087 1.00 0.00 C ATOM 1479 CD LYS A 84 84.284 -8.832 7.547 1.00 0.00 C ATOM 1480 CE LYS A 84 85.004 -7.681 8.235 1.00 0.00 C ATOM 1481 NZ LYS A 84 85.249 -8.023 9.666 1.00 0.00 N ATOM 0 H LYS A 84 84.593 -7.646 3.875 1.00 0.00 H new ATOM 0 HA LYS A 84 83.355 -10.273 3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 84 82.766 -10.183 5.751 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.457 -10.446 5.374 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.902 -7.996 5.651 1.00 0.00 H new ATOM 0 HG3 LYS A 84 83.211 -7.731 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.345 -9.045 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.888 -9.738 7.600 1.00 0.00 H new ATOM 0 HE2 LYS A 84 85.950 -7.479 7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 84 84.406 -6.772 8.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 85.741 -7.234 10.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 84.341 -8.194 10.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.837 -8.879 9.723 1.00 0.00 H new ATOM 1495 N VAL A 85 81.044 -9.365 3.193 1.00 0.00 N ATOM 1496 CA VAL A 85 79.718 -8.784 3.015 1.00 0.00 C ATOM 1497 C VAL A 85 78.794 -9.213 4.152 1.00 0.00 C ATOM 1498 O VAL A 85 78.593 -10.403 4.391 1.00 0.00 O ATOM 1499 CB VAL A 85 79.128 -9.237 1.677 1.00 0.00 C ATOM 1500 CG1 VAL A 85 77.796 -8.520 1.430 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.103 -8.902 0.546 1.00 0.00 C ATOM 0 H VAL A 85 81.134 -10.330 2.875 1.00 0.00 H new ATOM 0 HA VAL A 85 79.809 -7.698 3.023 1.00 0.00 H new ATOM 0 HB VAL A 85 78.960 -10.314 1.706 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.379 -8.845 0.477 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.099 -8.761 2.232 1.00 0.00 H new ATOM 0 HG13 VAL A 85 77.962 -7.443 1.405 1.00 0.00 H new ATOM 0 HG21 VAL A 85 79.681 -9.225 -0.406 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.274 -7.826 0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.049 -9.416 0.717 1.00 0.00 H new ATOM 1511 N TYR A 86 78.226 -8.232 4.842 1.00 0.00 N ATOM 1512 CA TYR A 86 77.316 -8.510 5.945 1.00 0.00 C ATOM 1513 C TYR A 86 75.906 -8.764 5.429 1.00 0.00 C ATOM 1514 O TYR A 86 75.528 -8.273 4.364 1.00 0.00 O ATOM 1515 CB TYR A 86 77.301 -7.334 6.923 1.00 0.00 C ATOM 1516 CG TYR A 86 76.269 -6.322 6.485 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.230 -5.892 5.153 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.348 -5.821 7.406 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.271 -4.961 4.746 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.386 -4.887 7.000 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.348 -4.457 5.670 1.00 0.00 C ATOM 1522 OH TYR A 86 73.404 -3.536 5.268 1.00 0.00 O ATOM 0 H TYR A 86 78.379 -7.240 4.658 1.00 0.00 H new ATOM 0 HA TYR A 86 77.667 -9.404 6.460 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.074 -7.688 7.929 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.286 -6.869 6.963 1.00 0.00 H new ATOM 0 HD1 TYR A 86 76.942 -6.280 4.440 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.377 -6.154 8.433 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.242 -4.630 3.718 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.674 -4.499 7.714 1.00 0.00 H new ATOM 0 HH TYR A 86 72.542 -3.985 5.140 1.00 0.00 H new ATOM 1532 N VAL A 87 75.129 -9.530 6.190 1.00 0.00 N ATOM 1533 CA VAL A 87 73.756 -9.837 5.802 1.00 0.00 C ATOM 1534 C VAL A 87 72.788 -9.486 6.928 1.00 0.00 C ATOM 1535 O VAL A 87 72.958 -9.922 8.065 1.00 0.00 O ATOM 1536 CB VAL A 87 73.630 -11.324 5.465 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.191 -11.582 4.064 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.421 -12.148 6.484 1.00 0.00 C ATOM 0 H VAL A 87 75.424 -9.947 7.073 1.00 0.00 H new ATOM 0 HA VAL A 87 73.505 -9.242 4.924 1.00 0.00 H new ATOM 0 HB VAL A 87 72.579 -11.612 5.497 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.101 -12.642 3.825 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.631 -10.997 3.334 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.241 -11.292 4.033 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.331 -13.207 6.244 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.471 -11.856 6.451 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.025 -11.968 7.483 1.00 0.00 H new ATOM 1548 N TYR A 88 71.772 -8.696 6.598 1.00 0.00 N ATOM 1549 CA TYR A 88 70.776 -8.291 7.586 1.00 0.00 C ATOM 1550 C TYR A 88 69.438 -8.958 7.296 1.00 0.00 C ATOM 1551 O TYR A 88 69.089 -9.059 6.132 1.00 0.00 O ATOM 1552 CB TYR A 88 70.611 -6.772 7.570 1.00 0.00 C ATOM 1553 CG TYR A 88 70.176 -6.323 6.197 1.00 0.00 C ATOM 1554 CD1 TYR A 88 71.129 -6.119 5.194 1.00 0.00 C ATOM 1555 CD2 TYR A 88 68.817 -6.120 5.924 1.00 0.00 C ATOM 1556 CE1 TYR A 88 70.727 -5.707 3.919 1.00 0.00 C ATOM 1557 CE2 TYR A 88 68.415 -5.707 4.648 1.00 0.00 C ATOM 1558 CZ TYR A 88 69.369 -5.501 3.645 1.00 0.00 C ATOM 1559 OH TYR A 88 68.972 -5.093 2.387 1.00 0.00 O ATOM 1560 OXT TYR A 88 68.782 -9.362 8.242 1.00 0.00 O ATOM 0 H TYR A 88 71.616 -8.325 5.661 1.00 0.00 H new ATOM 0 HA TYR A 88 71.118 -8.604 8.572 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.874 -6.469 8.313 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.551 -6.291 7.840 1.00 0.00 H new ATOM 0 HD1 TYR A 88 72.176 -6.280 5.404 1.00 0.00 H new ATOM 0 HD2 TYR A 88 68.080 -6.282 6.697 1.00 0.00 H new ATOM 0 HE1 TYR A 88 71.464 -5.548 3.146 1.00 0.00 H new ATOM 0 HE2 TYR A 88 67.368 -5.547 4.438 1.00 0.00 H new ATOM 0 HH TYR A 88 67.997 -4.998 2.366 1.00 0.00 H new