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 42 LYS NZ :NH3+ -156:sc= -1.57 (180deg=0) USER MOD Set 1.2: A 60 GLN : amide:sc= -3.24 K(o=-4.8,f=-5.4) USER MOD Single : A 10 SER OG : rot 38:sc= 0.0684 USER MOD Single : A 12 SER OG : rot 180:sc= -0.0605 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN :FLIP amide:sc= -2.5 F(o=-4.3!,f=-2.5) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.161 K(o=0.16,f=-1.4) USER MOD Single : A 29 GLN : amide:sc= -0.181 X(o=-0.18,f=-0.25) USER MOD Single : A 32 TYR OH : rot 180:sc= -0.924 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= -0.0243 K(o=-0.024,f=-2!) USER MOD Single : A 43 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.8) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 113:sc= -0.879 USER MOD Single : A 55 TYR OH : rot -137:sc= 0.32 USER MOD Single : A 57 LYS NZ :NH3+ 152:sc= -1.68 (180deg=-2.4) USER MOD Single : A 58 LYS NZ :NH3+ 162:sc= -0.0349 (180deg=-0.363) USER MOD Single : A 64 ASN : amide:sc=-0.000288 K(o=-0.00029,f=-0.8) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -84:sc= 0.968 USER MOD Single : A 70 ASN :FLIP amide:sc= -0.907 F(o=-1.8!,f=-0.91) USER MOD Single : A 71 LYS NZ :NH3+ 156:sc= -0.095 (180deg=-0.663) 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) 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 -135:sc= 0.148 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.523 -12.999 9.835 1.00 0.00 N ATOM 194 CA SER A 10 75.650 -13.799 9.378 1.00 0.00 C ATOM 195 C SER A 10 76.544 -12.994 8.443 1.00 0.00 C ATOM 196 O SER A 10 76.140 -11.952 7.924 1.00 0.00 O ATOM 197 CB SER A 10 75.153 -15.049 8.655 1.00 0.00 C ATOM 198 OG SER A 10 74.408 -15.851 9.562 1.00 0.00 O ATOM 0 HA SER A 10 76.230 -14.092 10.253 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.532 -14.768 7.805 1.00 0.00 H new ATOM 0 HB3 SER A 10 75.997 -15.615 8.260 1.00 0.00 H new ATOM 0 HG SER A 10 73.884 -15.273 10.155 1.00 0.00 H new ATOM 204 N ILE A 11 77.760 -13.479 8.238 1.00 0.00 N ATOM 205 CA ILE A 11 78.713 -12.804 7.361 1.00 0.00 C ATOM 206 C ILE A 11 79.337 -13.796 6.382 1.00 0.00 C ATOM 207 O ILE A 11 79.768 -14.880 6.776 1.00 0.00 O ATOM 208 CB ILE A 11 79.805 -12.129 8.188 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.161 -11.148 9.174 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.754 -11.371 7.259 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.042 -11.812 10.547 1.00 0.00 C ATOM 0 H ILE A 11 78.112 -14.336 8.665 1.00 0.00 H new ATOM 0 HA ILE A 11 78.178 -12.044 6.792 1.00 0.00 H new ATOM 0 HB ILE A 11 80.365 -12.884 8.739 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.762 -10.242 9.247 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.176 -10.849 8.816 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.533 -10.889 7.849 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.210 -12.069 6.557 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.196 -10.614 6.708 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.584 -11.116 11.249 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.423 -12.706 10.467 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.034 -12.089 10.905 1.00 0.00 H new ATOM 223 N SER A 12 79.381 -13.417 5.107 1.00 0.00 N ATOM 224 CA SER A 12 79.952 -14.273 4.072 1.00 0.00 C ATOM 225 C SER A 12 81.056 -13.537 3.323 1.00 0.00 C ATOM 226 O SER A 12 81.320 -12.367 3.588 1.00 0.00 O ATOM 227 CB SER A 12 78.866 -14.707 3.088 1.00 0.00 C ATOM 228 OG SER A 12 79.403 -15.682 2.204 1.00 0.00 O ATOM 0 H SER A 12 79.028 -12.523 4.766 1.00 0.00 H new ATOM 0 HA SER A 12 80.376 -15.156 4.551 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.012 -15.118 3.627 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.504 -13.847 2.524 1.00 0.00 H new ATOM 0 HG SER A 12 78.711 -15.966 1.571 1.00 0.00 H new ATOM 234 N ARG A 13 81.701 -14.231 2.393 1.00 0.00 N ATOM 235 CA ARG A 13 82.785 -13.635 1.614 1.00 0.00 C ATOM 236 C ARG A 13 82.415 -13.554 0.139 1.00 0.00 C ATOM 237 O ARG A 13 81.911 -14.516 -0.443 1.00 0.00 O ATOM 238 CB ARG A 13 84.056 -14.470 1.760 1.00 0.00 C ATOM 239 CG ARG A 13 84.924 -13.917 2.894 1.00 0.00 C ATOM 240 CD ARG A 13 84.143 -13.957 4.207 1.00 0.00 C ATOM 241 NE ARG A 13 85.053 -13.852 5.339 1.00 0.00 N ATOM 242 CZ ARG A 13 84.593 -13.767 6.582 1.00 0.00 C ATOM 243 NH1 ARG A 13 83.305 -13.771 6.804 1.00 0.00 N ATOM 244 NH2 ARG A 13 85.425 -13.680 7.582 1.00 0.00 N ATOM 0 H ARG A 13 81.495 -15.202 2.159 1.00 0.00 H new ATOM 0 HA ARG A 13 82.955 -12.628 1.994 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.796 -15.509 1.964 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.616 -14.460 0.825 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.838 -14.504 2.985 1.00 0.00 H new ATOM 0 HG3 ARG A 13 85.224 -12.894 2.669 1.00 0.00 H new ATOM 0 HD2 ARG A 13 83.422 -13.140 4.234 1.00 0.00 H new ATOM 0 HD3 ARG A 13 83.576 -14.885 4.273 1.00 0.00 H new ATOM 0 HE ARG A 13 86.060 -13.844 5.175 1.00 0.00 H new ATOM 0 HH11 ARG A 13 82.653 -13.839 6.023 1.00 0.00 H new ATOM 0 HH12 ARG A 13 82.952 -13.706 7.759 1.00 0.00 H new ATOM 0 HH21 ARG A 13 86.430 -13.677 7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 13 85.070 -13.615 8.536 1.00 0.00 H new ATOM 258 N ALA A 14 82.672 -12.400 -0.455 1.00 0.00 N ATOM 259 CA ALA A 14 82.369 -12.188 -1.861 1.00 0.00 C ATOM 260 C ALA A 14 83.233 -13.086 -2.739 1.00 0.00 C ATOM 261 O ALA A 14 84.317 -13.509 -2.337 1.00 0.00 O ATOM 262 CB ALA A 14 82.592 -10.726 -2.225 1.00 0.00 C ATOM 0 H ALA A 14 83.089 -11.596 0.014 1.00 0.00 H new ATOM 0 HA ALA A 14 81.323 -12.443 -2.034 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.363 -10.575 -3.280 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.941 -10.097 -1.618 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.632 -10.459 -2.038 1.00 0.00 H new ATOM 268 N LYS A 15 82.733 -13.395 -3.929 1.00 0.00 N ATOM 269 CA LYS A 15 83.460 -14.269 -4.843 1.00 0.00 C ATOM 270 C LYS A 15 84.224 -13.464 -5.888 1.00 0.00 C ATOM 271 O LYS A 15 85.340 -13.822 -6.265 1.00 0.00 O ATOM 272 CB LYS A 15 82.471 -15.188 -5.553 1.00 0.00 C ATOM 273 CG LYS A 15 81.538 -15.864 -4.539 1.00 0.00 C ATOM 274 CD LYS A 15 82.340 -16.767 -3.599 1.00 0.00 C ATOM 275 CE LYS A 15 81.383 -17.628 -2.779 1.00 0.00 C ATOM 276 NZ LYS A 15 82.175 -18.468 -1.839 1.00 0.00 N ATOM 0 H LYS A 15 81.837 -13.058 -4.282 1.00 0.00 H new ATOM 0 HA LYS A 15 84.176 -14.851 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.883 -14.614 -6.270 1.00 0.00 H new ATOM 0 HB3 LYS A 15 83.012 -15.946 -6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.007 -15.107 -3.962 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.784 -16.451 -5.063 1.00 0.00 H new ATOM 0 HD2 LYS A 15 83.014 -17.401 -4.175 1.00 0.00 H new ATOM 0 HD3 LYS A 15 82.959 -16.162 -2.937 1.00 0.00 H new ATOM 0 HE2 LYS A 15 80.688 -16.997 -2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 15 80.786 -18.259 -3.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 81.531 -19.059 -1.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 82.821 -19.078 -2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 82.726 -17.855 -1.205 1.00 0.00 H new ATOM 290 N LYS A 16 83.619 -12.385 -6.364 1.00 0.00 N ATOM 291 CA LYS A 16 84.262 -11.554 -7.373 1.00 0.00 C ATOM 292 C LYS A 16 83.786 -10.109 -7.264 1.00 0.00 C ATOM 293 O LYS A 16 82.686 -9.842 -6.782 1.00 0.00 O ATOM 294 CB LYS A 16 83.948 -12.096 -8.767 1.00 0.00 C ATOM 295 CG LYS A 16 84.778 -11.343 -9.811 1.00 0.00 C ATOM 296 CD LYS A 16 84.540 -11.960 -11.192 1.00 0.00 C ATOM 297 CE LYS A 16 85.383 -11.218 -12.230 1.00 0.00 C ATOM 298 NZ LYS A 16 85.188 -11.847 -13.567 1.00 0.00 N ATOM 0 H LYS A 16 82.695 -12.067 -6.072 1.00 0.00 H new ATOM 0 HA LYS A 16 85.339 -11.579 -7.207 1.00 0.00 H new ATOM 0 HB2 LYS A 16 84.170 -13.162 -8.812 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.885 -11.982 -8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 16 84.502 -10.289 -9.819 1.00 0.00 H new ATOM 0 HG3 LYS A 16 85.836 -11.394 -9.556 1.00 0.00 H new ATOM 0 HD2 LYS A 16 84.804 -13.017 -11.181 1.00 0.00 H new ATOM 0 HD3 LYS A 16 83.484 -11.898 -11.453 1.00 0.00 H new ATOM 0 HE2 LYS A 16 85.095 -10.167 -12.265 1.00 0.00 H new ATOM 0 HE3 LYS A 16 86.436 -11.251 -11.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 85.761 -11.344 -14.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 85.483 -12.844 -13.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.184 -11.793 -13.833 1.00 0.00 H new ATOM 312 N TRP A 17 84.625 -9.180 -7.713 1.00 0.00 N ATOM 313 CA TRP A 17 84.285 -7.764 -7.658 1.00 0.00 C ATOM 314 C TRP A 17 82.898 -7.518 -8.233 1.00 0.00 C ATOM 315 O TRP A 17 82.563 -8.018 -9.306 1.00 0.00 O ATOM 316 CB TRP A 17 85.310 -6.958 -8.453 1.00 0.00 C ATOM 317 CG TRP A 17 84.909 -5.524 -8.449 1.00 0.00 C ATOM 318 CD1 TRP A 17 84.970 -4.717 -7.374 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.407 -4.709 -9.548 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.529 -3.458 -7.733 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.171 -3.402 -9.064 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.133 -4.974 -10.900 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.681 -2.392 -9.892 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.640 -3.960 -11.738 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.414 -2.671 -11.235 1.00 0.00 C ATOM 0 H TRP A 17 85.540 -9.382 -8.117 1.00 0.00 H new ATOM 0 HA TRP A 17 84.293 -7.449 -6.614 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.301 -7.073 -8.014 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.369 -7.329 -9.476 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.309 -5.007 -6.390 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.475 -2.666 -7.092 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.302 -5.964 -11.298 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.509 -1.401 -9.498 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.434 -4.175 -12.776 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.034 -1.896 -11.884 1.00 0.00 H new ATOM 336 N SER A 18 82.096 -6.746 -7.510 1.00 0.00 N ATOM 337 CA SER A 18 80.746 -6.437 -7.958 1.00 0.00 C ATOM 338 C SER A 18 80.246 -5.178 -7.264 1.00 0.00 C ATOM 339 O SER A 18 80.760 -4.789 -6.216 1.00 0.00 O ATOM 340 CB SER A 18 79.803 -7.606 -7.653 1.00 0.00 C ATOM 341 OG SER A 18 79.048 -7.907 -8.818 1.00 0.00 O ATOM 0 H SER A 18 82.355 -6.326 -6.618 1.00 0.00 H new ATOM 0 HA SER A 18 80.764 -6.272 -9.035 1.00 0.00 H new ATOM 0 HB2 SER A 18 80.375 -8.479 -7.339 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.137 -7.348 -6.829 1.00 0.00 H new ATOM 0 HG SER A 18 78.443 -8.655 -8.632 1.00 0.00 H new ATOM 347 N GLU A 19 79.261 -4.537 -7.870 1.00 0.00 N ATOM 348 CA GLU A 19 78.722 -3.301 -7.323 1.00 0.00 C ATOM 349 C GLU A 19 78.362 -3.485 -5.855 1.00 0.00 C ATOM 350 O GLU A 19 78.544 -2.577 -5.043 1.00 0.00 O ATOM 351 CB GLU A 19 77.464 -2.898 -8.100 1.00 0.00 C ATOM 352 CG GLU A 19 77.784 -2.789 -9.595 1.00 0.00 C ATOM 353 CD GLU A 19 76.565 -2.278 -10.355 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.460 -2.618 -9.964 1.00 0.00 O ATOM 355 OE2 GLU A 19 76.753 -1.554 -11.320 1.00 0.00 O ATOM 0 H GLU A 19 78.820 -4.848 -8.735 1.00 0.00 H new ATOM 0 HA GLU A 19 79.479 -2.522 -7.412 1.00 0.00 H new ATOM 0 HB2 GLU A 19 76.677 -3.635 -7.941 1.00 0.00 H new ATOM 0 HB3 GLU A 19 77.088 -1.944 -7.730 1.00 0.00 H new ATOM 0 HG2 GLU A 19 78.626 -2.114 -9.746 1.00 0.00 H new ATOM 0 HG3 GLU A 19 78.082 -3.763 -9.983 1.00 0.00 H new ATOM 362 N GLU A 20 77.866 -4.663 -5.512 1.00 0.00 N ATOM 363 CA GLU A 20 77.499 -4.948 -4.132 1.00 0.00 C ATOM 364 C GLU A 20 78.740 -5.040 -3.243 1.00 0.00 C ATOM 365 O GLU A 20 78.753 -4.529 -2.123 1.00 0.00 O ATOM 366 CB GLU A 20 76.739 -6.271 -4.070 1.00 0.00 C ATOM 367 CG GLU A 20 75.415 -6.130 -4.822 1.00 0.00 C ATOM 368 CD GLU A 20 74.479 -5.203 -4.057 1.00 0.00 C ATOM 369 OE1 GLU A 20 74.733 -4.968 -2.888 1.00 0.00 O ATOM 370 OE2 GLU A 20 73.520 -4.739 -4.653 1.00 0.00 O ATOM 0 H GLU A 20 77.709 -5.432 -6.163 1.00 0.00 H new ATOM 0 HA GLU A 20 76.870 -4.135 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.338 -7.068 -4.511 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.553 -6.548 -3.032 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.595 -5.735 -5.822 1.00 0.00 H new ATOM 0 HG3 GLU A 20 74.951 -7.109 -4.945 1.00 0.00 H new ATOM 377 N ILE A 21 79.775 -5.704 -3.746 1.00 0.00 N ATOM 378 CA ILE A 21 81.006 -5.875 -2.974 1.00 0.00 C ATOM 379 C ILE A 21 81.730 -4.549 -2.855 1.00 0.00 C ATOM 380 O ILE A 21 82.036 -4.097 -1.752 1.00 0.00 O ATOM 381 CB ILE A 21 81.920 -6.909 -3.644 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.071 -8.061 -4.194 1.00 0.00 C ATOM 383 CG2 ILE A 21 82.946 -7.462 -2.643 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.053 -8.542 -3.151 1.00 0.00 C ATOM 0 H ILE A 21 79.790 -6.129 -4.673 1.00 0.00 H new ATOM 0 HA ILE A 21 80.745 -6.232 -1.978 1.00 0.00 H new ATOM 0 HB ILE A 21 82.457 -6.421 -4.457 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.549 -7.735 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.719 -8.889 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.583 -8.193 -3.141 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.560 -6.646 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.424 -7.940 -1.814 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.464 -9.359 -3.567 1.00 0.00 H new ATOM 0 HD12 ILE A 21 80.579 -8.890 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.391 -7.719 -2.882 1.00 0.00 H new ATOM 396 N GLU A 22 82.048 -3.950 -3.988 1.00 0.00 N ATOM 397 CA GLU A 22 82.781 -2.700 -3.975 1.00 0.00 C ATOM 398 C GLU A 22 82.165 -1.742 -2.976 1.00 0.00 C ATOM 399 O GLU A 22 82.867 -1.126 -2.181 1.00 0.00 O ATOM 400 CB GLU A 22 82.725 -2.070 -5.361 1.00 0.00 C ATOM 401 CG GLU A 22 83.742 -0.930 -5.457 1.00 0.00 C ATOM 402 CD GLU A 22 83.264 0.114 -6.462 1.00 0.00 C ATOM 403 OE1 GLU A 22 82.563 1.023 -6.052 1.00 0.00 O ATOM 404 OE2 GLU A 22 83.604 -0.012 -7.626 1.00 0.00 O ATOM 0 H GLU A 22 81.814 -4.303 -4.916 1.00 0.00 H new ATOM 0 HA GLU A 22 83.815 -2.900 -3.693 1.00 0.00 H new ATOM 0 HB2 GLU A 22 82.936 -2.822 -6.121 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.722 -1.692 -5.558 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.877 -0.469 -4.478 1.00 0.00 H new ATOM 0 HG3 GLU A 22 84.712 -1.322 -5.762 1.00 0.00 H new ATOM 411 N ASN A 23 80.852 -1.622 -3.016 1.00 0.00 N ATOM 412 CA ASN A 23 80.160 -0.735 -2.102 1.00 0.00 C ATOM 413 C ASN A 23 80.439 -1.119 -0.652 1.00 0.00 C ATOM 414 O ASN A 23 80.804 -0.286 0.166 1.00 0.00 O ATOM 415 CB ASN A 23 78.664 -0.843 -2.345 1.00 0.00 C ATOM 416 CG ASN A 23 77.923 0.041 -1.365 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.826 -0.351 -0.129 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 77.411 1.092 -1.734 1.00 0.00 N flip ATOM 0 H ASN A 23 80.247 -2.123 -3.666 1.00 0.00 H new ATOM 0 HA ASN A 23 80.513 0.282 -2.276 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.429 -0.546 -3.367 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.341 -1.878 -2.232 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.496 1.386 -2.707 1.00 0.00 H new ATOM 0 HD22 ASN A 23 76.901 1.672 -1.068 1.00 0.00 H new ATOM 425 N LEU A 24 80.273 -2.386 -0.327 1.00 0.00 N ATOM 426 CA LEU A 24 80.493 -2.812 1.042 1.00 0.00 C ATOM 427 C LEU A 24 81.899 -2.470 1.485 1.00 0.00 C ATOM 428 O LEU A 24 82.097 -1.993 2.593 1.00 0.00 O ATOM 429 CB LEU A 24 80.272 -4.311 1.149 1.00 0.00 C ATOM 430 CG LEU A 24 78.777 -4.609 1.013 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.582 -6.107 0.824 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.014 -4.163 2.270 1.00 0.00 C ATOM 0 H LEU A 24 79.993 -3.123 -0.974 1.00 0.00 H new ATOM 0 HA LEU A 24 79.788 -2.291 1.690 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.831 -4.830 0.370 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.643 -4.678 2.106 1.00 0.00 H new ATOM 0 HG LEU A 24 78.390 -4.061 0.154 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.519 -6.326 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.103 -6.431 -0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 24 78.984 -6.638 1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 24 76.954 -4.385 2.150 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.400 -4.696 3.139 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.146 -3.091 2.414 1.00 0.00 H new ATOM 444 N TYR A 25 82.865 -2.686 0.617 1.00 0.00 N ATOM 445 CA TYR A 25 84.243 -2.363 0.954 1.00 0.00 C ATOM 446 C TYR A 25 84.409 -0.884 1.273 1.00 0.00 C ATOM 447 O TYR A 25 85.009 -0.526 2.283 1.00 0.00 O ATOM 448 CB TYR A 25 85.153 -2.729 -0.205 1.00 0.00 C ATOM 449 CG TYR A 25 86.513 -2.102 -0.001 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.405 -2.620 0.949 1.00 0.00 C ATOM 451 CD2 TYR A 25 86.883 -0.996 -0.776 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.665 -2.030 1.118 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.140 -0.408 -0.605 1.00 0.00 C ATOM 454 CZ TYR A 25 89.031 -0.925 0.340 1.00 0.00 C ATOM 455 OH TYR A 25 90.272 -0.345 0.506 1.00 0.00 O ATOM 0 H TYR A 25 82.729 -3.078 -0.315 1.00 0.00 H new ATOM 0 HA TYR A 25 84.512 -2.937 1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.248 -3.812 -0.277 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.720 -2.384 -1.144 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.122 -3.472 1.549 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.196 -0.596 -1.507 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.354 -2.428 1.849 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.423 0.446 -1.203 1.00 0.00 H new ATOM 0 HH TYR A 25 90.366 0.410 -0.112 1.00 0.00 H new ATOM 465 N ARG A 26 83.896 -0.026 0.402 1.00 0.00 N ATOM 466 CA ARG A 26 84.029 1.411 0.608 1.00 0.00 C ATOM 467 C ARG A 26 83.320 1.854 1.884 1.00 0.00 C ATOM 468 O ARG A 26 83.885 2.589 2.696 1.00 0.00 O ATOM 469 CB ARG A 26 83.418 2.152 -0.576 1.00 0.00 C ATOM 470 CG ARG A 26 84.212 1.844 -1.847 1.00 0.00 C ATOM 471 CD ARG A 26 83.708 2.728 -2.987 1.00 0.00 C ATOM 472 NE ARG A 26 84.313 2.314 -4.245 1.00 0.00 N ATOM 473 CZ ARG A 26 84.216 3.065 -5.333 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.604 4.215 -5.277 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.734 2.653 -6.456 1.00 0.00 N ATOM 0 H ARG A 26 83.391 -0.294 -0.443 1.00 0.00 H new ATOM 0 HA ARG A 26 85.090 1.643 0.698 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.378 1.854 -0.705 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.421 3.225 -0.386 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.274 2.021 -1.677 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.102 0.792 -2.112 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.622 2.661 -3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.951 3.771 -2.784 1.00 0.00 H new ATOM 0 HE ARG A 26 84.821 1.430 -4.290 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.201 4.536 -4.397 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.529 4.794 -6.113 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.213 1.754 -6.497 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.660 3.230 -7.294 1.00 0.00 H new ATOM 489 N PHE A 27 82.082 1.403 2.070 1.00 0.00 N ATOM 490 CA PHE A 27 81.325 1.775 3.264 1.00 0.00 C ATOM 491 C PHE A 27 81.978 1.183 4.516 1.00 0.00 C ATOM 492 O PHE A 27 82.172 1.882 5.517 1.00 0.00 O ATOM 493 CB PHE A 27 79.877 1.299 3.131 1.00 0.00 C ATOM 494 CG PHE A 27 79.104 2.292 2.275 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.091 2.177 0.879 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.407 3.340 2.881 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.387 3.095 0.100 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.702 4.259 2.091 1.00 0.00 C ATOM 499 CZ PHE A 27 77.694 4.133 0.703 1.00 0.00 C ATOM 0 H PHE A 27 81.588 0.790 1.422 1.00 0.00 H new ATOM 0 HA PHE A 27 81.327 2.861 3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 27 79.847 0.308 2.678 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.417 1.213 4.116 1.00 0.00 H new ATOM 0 HD1 PHE A 27 79.630 1.372 0.402 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.411 3.442 3.956 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.382 2.997 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 27 77.163 5.068 2.560 1.00 0.00 H new ATOM 0 HZ PHE A 27 77.149 4.843 0.098 1.00 0.00 H new ATOM 509 N GLN A 28 82.310 -0.105 4.455 1.00 0.00 N ATOM 510 CA GLN A 28 82.932 -0.781 5.592 1.00 0.00 C ATOM 511 C GLN A 28 84.202 -0.060 5.998 1.00 0.00 C ATOM 512 O GLN A 28 84.453 0.146 7.185 1.00 0.00 O ATOM 513 CB GLN A 28 83.256 -2.239 5.240 1.00 0.00 C ATOM 514 CG GLN A 28 81.977 -3.088 5.279 1.00 0.00 C ATOM 515 CD GLN A 28 82.288 -4.512 4.825 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.426 -4.964 4.941 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.339 -5.252 4.319 1.00 0.00 N ATOM 0 H GLN A 28 82.161 -0.697 3.638 1.00 0.00 H new ATOM 0 HA GLN A 28 82.229 -0.767 6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 28 83.706 -2.291 4.249 1.00 0.00 H new ATOM 0 HB3 GLN A 28 83.988 -2.637 5.943 1.00 0.00 H new ATOM 0 HG2 GLN A 28 81.568 -3.100 6.289 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.218 -2.648 4.633 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.396 -4.876 4.223 1.00 0.00 H new ATOM 0 HE22 GLN A 28 81.541 -6.206 4.019 1.00 0.00 H new ATOM 526 N GLN A 29 84.979 0.355 5.015 1.00 0.00 N ATOM 527 CA GLN A 29 86.198 1.090 5.291 1.00 0.00 C ATOM 528 C GLN A 29 85.875 2.404 5.992 1.00 0.00 C ATOM 529 O GLN A 29 86.592 2.826 6.898 1.00 0.00 O ATOM 530 CB GLN A 29 86.949 1.360 3.987 1.00 0.00 C ATOM 531 CG GLN A 29 87.632 0.075 3.513 1.00 0.00 C ATOM 532 CD GLN A 29 88.825 -0.231 4.411 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.722 0.600 4.555 1.00 0.00 O ATOM 534 NE2 GLN A 29 88.895 -1.380 5.026 1.00 0.00 N ATOM 0 H GLN A 29 84.789 0.197 4.025 1.00 0.00 H new ATOM 0 HA GLN A 29 86.830 0.491 5.947 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.257 1.719 3.225 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.691 2.144 4.138 1.00 0.00 H new ATOM 0 HG2 GLN A 29 86.925 -0.754 3.535 1.00 0.00 H new ATOM 0 HG3 GLN A 29 87.961 0.186 2.480 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.152 -2.068 4.907 1.00 0.00 H new ATOM 0 HE22 GLN A 29 89.693 -1.590 5.626 1.00 0.00 H new ATOM 543 N ALA A 30 84.791 3.043 5.569 1.00 0.00 N ATOM 544 CA ALA A 30 84.381 4.306 6.164 1.00 0.00 C ATOM 545 C ALA A 30 83.919 4.097 7.603 1.00 0.00 C ATOM 546 O ALA A 30 83.805 5.050 8.373 1.00 0.00 O ATOM 547 CB ALA A 30 83.251 4.935 5.347 1.00 0.00 C ATOM 0 H ALA A 30 84.184 2.709 4.821 1.00 0.00 H new ATOM 0 HA ALA A 30 85.240 4.977 6.164 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.954 5.879 5.803 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.596 5.117 4.329 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.397 4.258 5.326 1.00 0.00 H new ATOM 553 N GLY A 31 83.654 2.841 7.957 1.00 0.00 N ATOM 554 CA GLY A 31 83.202 2.513 9.303 1.00 0.00 C ATOM 555 C GLY A 31 81.706 2.205 9.330 1.00 0.00 C ATOM 556 O GLY A 31 81.140 1.937 10.389 1.00 0.00 O ATOM 0 H GLY A 31 83.744 2.039 7.333 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.759 1.653 9.676 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.416 3.346 9.973 1.00 0.00 H new ATOM 560 N TYR A 32 81.068 2.252 8.161 1.00 0.00 N ATOM 561 CA TYR A 32 79.646 1.989 8.064 1.00 0.00 C ATOM 562 C TYR A 32 79.395 0.588 7.533 1.00 0.00 C ATOM 563 O TYR A 32 80.143 0.080 6.702 1.00 0.00 O ATOM 564 CB TYR A 32 79.008 2.996 7.119 1.00 0.00 C ATOM 565 CG TYR A 32 79.259 4.411 7.605 1.00 0.00 C ATOM 566 CD1 TYR A 32 78.967 4.792 8.929 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.810 5.350 6.723 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.229 6.097 9.355 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.071 6.652 7.158 1.00 0.00 C ATOM 570 CZ TYR A 32 79.782 7.024 8.472 1.00 0.00 C ATOM 571 OH TYR A 32 80.043 8.309 8.899 1.00 0.00 O ATOM 0 H TYR A 32 81.519 2.470 7.273 1.00 0.00 H new ATOM 0 HA TYR A 32 79.210 2.076 9.059 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.416 2.872 6.116 1.00 0.00 H new ATOM 0 HB3 TYR A 32 77.936 2.813 7.052 1.00 0.00 H new ATOM 0 HD1 TYR A 32 78.540 4.075 9.615 1.00 0.00 H new ATOM 0 HD2 TYR A 32 80.033 5.067 5.705 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.003 6.388 10.370 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.497 7.372 6.476 1.00 0.00 H new ATOM 0 HH TYR A 32 80.428 8.827 8.161 1.00 0.00 H new ATOM 581 N ARG A 33 78.334 -0.027 8.021 1.00 0.00 N ATOM 582 CA ARG A 33 77.991 -1.375 7.589 1.00 0.00 C ATOM 583 C ARG A 33 77.379 -1.354 6.195 1.00 0.00 C ATOM 584 O ARG A 33 77.604 -2.261 5.393 1.00 0.00 O ATOM 585 CB ARG A 33 77.015 -2.016 8.579 1.00 0.00 C ATOM 586 CG ARG A 33 75.944 -1.001 8.982 1.00 0.00 C ATOM 587 CD ARG A 33 76.237 -0.488 10.395 1.00 0.00 C ATOM 588 NE ARG A 33 76.250 -1.597 11.338 1.00 0.00 N ATOM 589 CZ ARG A 33 76.902 -1.507 12.491 1.00 0.00 C ATOM 590 NH1 ARG A 33 77.550 -0.414 12.791 1.00 0.00 N ATOM 591 NH2 ARG A 33 76.894 -2.511 13.324 1.00 0.00 N ATOM 0 H ARG A 33 77.699 0.377 8.709 1.00 0.00 H new ATOM 0 HA ARG A 33 78.906 -1.967 7.557 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.548 -2.891 8.128 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.553 -2.361 9.462 1.00 0.00 H new ATOM 0 HG2 ARG A 33 75.931 -0.170 8.277 1.00 0.00 H new ATOM 0 HG3 ARG A 33 74.958 -1.463 8.948 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.199 0.025 10.412 1.00 0.00 H new ATOM 0 HD3 ARG A 33 75.482 0.241 10.689 1.00 0.00 H new ATOM 0 HE ARG A 33 75.750 -2.456 11.109 1.00 0.00 H new ATOM 0 HH11 ARG A 33 77.555 0.371 12.140 1.00 0.00 H new ATOM 0 HH12 ARG A 33 78.051 -0.345 13.677 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.387 -3.364 13.089 1.00 0.00 H new ATOM 0 HH22 ARG A 33 77.395 -2.443 14.210 1.00 0.00 H new ATOM 605 N ASP A 34 76.613 -0.309 5.914 1.00 0.00 N ATOM 606 CA ASP A 34 75.973 -0.164 4.614 1.00 0.00 C ATOM 607 C ASP A 34 75.480 1.266 4.420 1.00 0.00 C ATOM 608 O ASP A 34 75.578 2.101 5.326 1.00 0.00 O ATOM 609 CB ASP A 34 74.800 -1.144 4.502 1.00 0.00 C ATOM 610 CG ASP A 34 73.837 -0.941 5.666 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.131 -0.115 6.513 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.826 -1.622 5.698 1.00 0.00 O ATOM 0 H ASP A 34 76.420 0.450 6.568 1.00 0.00 H new ATOM 0 HA ASP A 34 76.703 -0.387 3.836 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.278 -0.993 3.557 1.00 0.00 H new ATOM 0 HB3 ASP A 34 75.171 -2.169 4.501 1.00 0.00 H new ATOM 617 N GLU A 35 74.974 1.547 3.224 1.00 0.00 N ATOM 618 CA GLU A 35 74.488 2.880 2.909 1.00 0.00 C ATOM 619 C GLU A 35 73.472 3.333 3.947 1.00 0.00 C ATOM 620 O GLU A 35 73.311 4.525 4.186 1.00 0.00 O ATOM 621 CB GLU A 35 73.837 2.885 1.523 1.00 0.00 C ATOM 622 CG GLU A 35 72.585 2.004 1.545 1.00 0.00 C ATOM 623 CD GLU A 35 72.059 1.804 0.128 1.00 0.00 C ATOM 624 OE1 GLU A 35 72.689 2.297 -0.791 1.00 0.00 O ATOM 625 OE2 GLU A 35 71.032 1.161 -0.016 1.00 0.00 O ATOM 0 H GLU A 35 74.891 0.873 2.463 1.00 0.00 H new ATOM 0 HA GLU A 35 75.334 3.567 2.916 1.00 0.00 H new ATOM 0 HB2 GLU A 35 73.573 3.903 1.237 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.541 2.516 0.777 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.818 1.039 1.994 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.817 2.466 2.164 1.00 0.00 H new ATOM 632 N ILE A 36 72.788 2.380 4.560 1.00 0.00 N ATOM 633 CA ILE A 36 71.784 2.718 5.563 1.00 0.00 C ATOM 634 C ILE A 36 72.407 3.495 6.720 1.00 0.00 C ATOM 635 O ILE A 36 71.892 4.536 7.130 1.00 0.00 O ATOM 636 CB ILE A 36 71.165 1.427 6.104 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.330 0.757 5.008 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.270 1.749 7.302 1.00 0.00 C ATOM 639 CD1 ILE A 36 69.975 -0.671 5.434 1.00 0.00 C ATOM 0 H ILE A 36 72.904 1.382 4.387 1.00 0.00 H new ATOM 0 HA ILE A 36 71.022 3.342 5.096 1.00 0.00 H new ATOM 0 HB ILE A 36 71.961 0.751 6.417 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.421 1.330 4.828 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.887 0.740 4.071 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.830 0.828 7.686 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.865 2.220 8.084 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.476 2.428 6.991 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.381 -1.146 4.654 1.00 0.00 H new ATOM 0 HD12 ILE A 36 70.890 -1.242 5.592 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.401 -0.642 6.360 1.00 0.00 H new ATOM 651 N GLU A 37 73.518 2.994 7.246 1.00 0.00 N ATOM 652 CA GLU A 37 74.188 3.658 8.361 1.00 0.00 C ATOM 653 C GLU A 37 74.747 5.007 7.922 1.00 0.00 C ATOM 654 O GLU A 37 74.674 5.992 8.660 1.00 0.00 O ATOM 655 CB GLU A 37 75.320 2.776 8.889 1.00 0.00 C ATOM 656 CG GLU A 37 75.875 3.364 10.189 1.00 0.00 C ATOM 657 CD GLU A 37 74.834 3.241 11.296 1.00 0.00 C ATOM 658 OE1 GLU A 37 73.921 2.449 11.134 1.00 0.00 O ATOM 659 OE2 GLU A 37 74.965 3.940 12.286 1.00 0.00 O ATOM 0 H GLU A 37 73.972 2.139 6.924 1.00 0.00 H new ATOM 0 HA GLU A 37 73.459 3.823 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 37 74.953 1.765 9.064 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.113 2.703 8.145 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.787 2.841 10.475 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.141 4.411 10.041 1.00 0.00 H new ATOM 666 N TYR A 38 75.303 5.045 6.719 1.00 0.00 N ATOM 667 CA TYR A 38 75.873 6.279 6.188 1.00 0.00 C ATOM 668 C TYR A 38 74.827 7.376 6.104 1.00 0.00 C ATOM 669 O TYR A 38 75.074 8.514 6.507 1.00 0.00 O ATOM 670 CB TYR A 38 76.441 6.032 4.802 1.00 0.00 C ATOM 671 CG TYR A 38 76.802 7.355 4.157 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.853 8.123 4.672 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.088 7.810 3.041 1.00 0.00 C ATOM 674 CE1 TYR A 38 78.187 9.345 4.075 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.426 9.032 2.442 1.00 0.00 C ATOM 676 CZ TYR A 38 77.474 9.799 2.960 1.00 0.00 C ATOM 677 OH TYR A 38 77.804 11.004 2.371 1.00 0.00 O ATOM 0 H TYR A 38 75.372 4.242 6.094 1.00 0.00 H new ATOM 0 HA TYR A 38 76.664 6.599 6.866 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.323 5.395 4.868 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.712 5.504 4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.407 7.773 5.531 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.277 7.219 2.642 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.996 9.938 4.476 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.877 9.381 1.580 1.00 0.00 H new ATOM 0 HH TYR A 38 77.211 11.169 1.608 1.00 0.00 H new ATOM 687 N LYS A 39 73.665 7.039 5.565 1.00 0.00 N ATOM 688 CA LYS A 39 72.598 8.015 5.421 1.00 0.00 C ATOM 689 C LYS A 39 72.169 8.549 6.781 1.00 0.00 C ATOM 690 O LYS A 39 71.885 9.735 6.927 1.00 0.00 O ATOM 691 CB LYS A 39 71.397 7.379 4.722 1.00 0.00 C ATOM 692 CG LYS A 39 71.728 7.113 3.252 1.00 0.00 C ATOM 693 CD LYS A 39 70.528 6.458 2.568 1.00 0.00 C ATOM 694 CE LYS A 39 70.868 6.193 1.104 1.00 0.00 C ATOM 695 NZ LYS A 39 69.699 5.566 0.425 1.00 0.00 N ATOM 0 H LYS A 39 73.439 6.105 5.223 1.00 0.00 H new ATOM 0 HA LYS A 39 72.973 8.843 4.820 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.129 6.446 5.218 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.532 8.038 4.795 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.980 8.047 2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.601 6.465 3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.273 5.524 3.069 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.655 7.107 2.639 1.00 0.00 H new ATOM 0 HE2 LYS A 39 71.133 7.126 0.607 1.00 0.00 H new ATOM 0 HE3 LYS A 39 71.736 5.538 1.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 69.932 5.386 -0.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.466 4.667 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 68.881 6.207 0.479 1.00 0.00 H new ATOM 709 N GLN A 40 72.120 7.669 7.772 1.00 0.00 N ATOM 710 CA GLN A 40 71.720 8.078 9.112 1.00 0.00 C ATOM 711 C GLN A 40 72.725 9.073 9.695 1.00 0.00 C ATOM 712 O GLN A 40 72.344 10.071 10.305 1.00 0.00 O ATOM 713 CB GLN A 40 71.644 6.847 10.015 1.00 0.00 C ATOM 714 CG GLN A 40 70.462 5.976 9.585 1.00 0.00 C ATOM 715 CD GLN A 40 70.520 4.632 10.302 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.547 4.278 10.882 1.00 0.00 O ATOM 717 NE2 GLN A 40 69.475 3.851 10.286 1.00 0.00 N ATOM 0 H GLN A 40 72.349 6.680 7.676 1.00 0.00 H new ATOM 0 HA GLN A 40 70.744 8.560 9.054 1.00 0.00 H new ATOM 0 HB2 GLN A 40 72.572 6.278 9.952 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.527 7.151 11.055 1.00 0.00 H new ATOM 0 HG2 GLN A 40 69.524 6.481 9.816 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.485 5.824 8.506 1.00 0.00 H new ATOM 0 HE21 GLN A 40 68.625 4.146 9.805 1.00 0.00 H new ATOM 0 HE22 GLN A 40 69.508 2.946 10.754 1.00 0.00 H new ATOM 726 N VAL A 41 74.010 8.794 9.494 1.00 0.00 N ATOM 727 CA VAL A 41 75.063 9.664 10.013 1.00 0.00 C ATOM 728 C VAL A 41 74.987 11.054 9.395 1.00 0.00 C ATOM 729 O VAL A 41 75.114 12.063 10.088 1.00 0.00 O ATOM 730 CB VAL A 41 76.435 9.054 9.722 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.530 10.055 10.096 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.612 7.770 10.537 1.00 0.00 C ATOM 0 H VAL A 41 74.346 7.980 8.980 1.00 0.00 H new ATOM 0 HA VAL A 41 74.920 9.756 11.090 1.00 0.00 H new ATOM 0 HB VAL A 41 76.507 8.819 8.660 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.507 9.620 9.888 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.406 10.965 9.510 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.457 10.294 11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.590 7.338 10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.537 8.000 11.600 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.834 7.056 10.265 1.00 0.00 H new ATOM 742 N LYS A 42 74.788 11.100 8.088 1.00 0.00 N ATOM 743 CA LYS A 42 74.703 12.369 7.380 1.00 0.00 C ATOM 744 C LYS A 42 73.250 12.790 7.221 1.00 0.00 C ATOM 745 O LYS A 42 72.961 13.853 6.674 1.00 0.00 O ATOM 746 CB LYS A 42 75.355 12.231 6.001 1.00 0.00 C ATOM 747 CG LYS A 42 76.836 11.834 6.140 1.00 0.00 C ATOM 748 CD LYS A 42 77.670 13.021 6.639 1.00 0.00 C ATOM 749 CE LYS A 42 79.154 12.675 6.538 1.00 0.00 C ATOM 750 NZ LYS A 42 79.954 13.840 7.001 1.00 0.00 N ATOM 0 H LYS A 42 74.682 10.276 7.496 1.00 0.00 H new ATOM 0 HA LYS A 42 75.227 13.131 7.957 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.825 11.480 5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 42 75.275 13.173 5.459 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.930 10.999 6.834 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.218 11.493 5.178 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.451 13.909 6.046 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.409 13.255 7.671 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.379 11.798 7.146 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.413 12.425 5.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.903 13.799 6.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 79.484 14.721 6.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 80.035 13.815 8.038 1.00 0.00 H new ATOM 764 N GLN A 43 72.333 11.960 7.705 1.00 0.00 N ATOM 765 CA GLN A 43 70.918 12.285 7.600 1.00 0.00 C ATOM 766 C GLN A 43 70.586 12.809 6.204 1.00 0.00 C ATOM 767 O GLN A 43 70.044 13.905 6.058 1.00 0.00 O ATOM 768 CB GLN A 43 70.538 13.332 8.647 1.00 0.00 C ATOM 769 CG GLN A 43 70.652 12.729 10.051 1.00 0.00 C ATOM 770 CD GLN A 43 69.622 11.616 10.226 1.00 0.00 C ATOM 771 OE1 GLN A 43 68.496 11.732 9.743 1.00 0.00 O ATOM 772 NE2 GLN A 43 69.938 10.542 10.896 1.00 0.00 N ATOM 0 H GLN A 43 72.539 11.074 8.165 1.00 0.00 H new ATOM 0 HA GLN A 43 70.345 11.375 7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 43 71.192 14.200 8.560 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.520 13.681 8.473 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.656 12.334 10.206 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.494 13.503 10.802 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.871 10.447 11.296 1.00 0.00 H new ATOM 0 HE22 GLN A 43 69.252 9.798 11.020 1.00 0.00 H new ATOM 781 N VAL A 44 70.912 12.019 5.186 1.00 0.00 N ATOM 782 CA VAL A 44 70.644 12.407 3.804 1.00 0.00 C ATOM 783 C VAL A 44 69.523 11.548 3.220 1.00 0.00 C ATOM 784 O VAL A 44 68.842 10.826 3.948 1.00 0.00 O ATOM 785 CB VAL A 44 71.908 12.245 2.955 1.00 0.00 C ATOM 786 CG1 VAL A 44 73.018 13.125 3.525 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.363 10.785 2.979 1.00 0.00 C ATOM 0 H VAL A 44 71.361 11.109 5.290 1.00 0.00 H new ATOM 0 HA VAL A 44 70.336 13.452 3.793 1.00 0.00 H new ATOM 0 HB VAL A 44 71.692 12.541 1.929 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.919 13.011 2.922 1.00 0.00 H new ATOM 0 HG12 VAL A 44 72.700 14.168 3.509 1.00 0.00 H new ATOM 0 HG13 VAL A 44 73.229 12.826 4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.263 10.674 2.374 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.577 10.488 4.005 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.574 10.151 2.575 1.00 0.00 H new ATOM 797 N ALA A 45 69.343 11.636 1.906 1.00 0.00 N ATOM 798 CA ALA A 45 68.307 10.865 1.227 1.00 0.00 C ATOM 799 C ALA A 45 68.913 9.945 0.169 1.00 0.00 C ATOM 800 O ALA A 45 68.319 8.933 -0.200 1.00 0.00 O ATOM 801 CB ALA A 45 67.314 11.815 0.565 1.00 0.00 C ATOM 0 H ALA A 45 69.899 12.231 1.292 1.00 0.00 H new ATOM 0 HA ALA A 45 67.796 10.250 1.968 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.541 11.238 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.855 12.448 1.324 1.00 0.00 H new ATOM 0 HB3 ALA A 45 67.836 12.439 -0.161 1.00 0.00 H new ATOM 807 N MET A 46 70.095 10.307 -0.319 1.00 0.00 N ATOM 808 CA MET A 46 70.767 9.510 -1.338 1.00 0.00 C ATOM 809 C MET A 46 72.275 9.727 -1.281 1.00 0.00 C ATOM 810 O MET A 46 72.749 10.691 -0.679 1.00 0.00 O ATOM 811 CB MET A 46 70.238 9.887 -2.722 1.00 0.00 C ATOM 812 CG MET A 46 70.583 11.346 -3.019 1.00 0.00 C ATOM 813 SD MET A 46 69.771 11.852 -4.555 1.00 0.00 S ATOM 814 CE MET A 46 70.397 13.550 -4.585 1.00 0.00 C ATOM 0 H MET A 46 70.604 11.141 -0.028 1.00 0.00 H new ATOM 0 HA MET A 46 70.562 8.456 -1.148 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.676 9.237 -3.480 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.158 9.742 -2.762 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.259 11.983 -2.196 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.663 11.465 -3.109 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.015 14.063 -5.468 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.067 14.075 -3.689 1.00 0.00 H new ATOM 0 HE3 MET A 46 71.486 13.536 -4.617 1.00 0.00 H new ATOM 824 N VAL A 47 73.023 8.825 -1.905 1.00 0.00 N ATOM 825 CA VAL A 47 74.477 8.925 -1.917 1.00 0.00 C ATOM 826 C VAL A 47 74.954 9.424 -3.276 1.00 0.00 C ATOM 827 O VAL A 47 74.470 8.967 -4.311 1.00 0.00 O ATOM 828 CB VAL A 47 75.103 7.561 -1.625 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.628 7.692 -1.602 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.603 7.051 -0.271 1.00 0.00 C ATOM 0 H VAL A 47 72.649 8.020 -2.407 1.00 0.00 H new ATOM 0 HA VAL A 47 74.784 9.631 -1.145 1.00 0.00 H new ATOM 0 HB VAL A 47 74.817 6.853 -2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 47 77.074 6.719 -1.394 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.977 8.051 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.921 8.399 -0.826 1.00 0.00 H new ATOM 0 HG21 VAL A 47 75.048 6.079 -0.061 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.886 7.756 0.511 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.518 6.955 -0.297 1.00 0.00 H new ATOM 840 N ASP A 48 75.889 10.370 -3.272 1.00 0.00 N ATOM 841 CA ASP A 48 76.411 10.924 -4.518 1.00 0.00 C ATOM 842 C ASP A 48 77.291 9.905 -5.233 1.00 0.00 C ATOM 843 O ASP A 48 78.176 9.298 -4.629 1.00 0.00 O ATOM 844 CB ASP A 48 77.225 12.182 -4.219 1.00 0.00 C ATOM 845 CG ASP A 48 76.325 13.249 -3.603 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.196 13.370 -4.048 1.00 0.00 O ATOM 847 OD2 ASP A 48 76.777 13.924 -2.693 1.00 0.00 O ATOM 0 H ASP A 48 76.299 10.767 -2.426 1.00 0.00 H new ATOM 0 HA ASP A 48 75.571 11.175 -5.166 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.041 11.944 -3.537 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.677 12.560 -5.136 1.00 0.00 H new ATOM 852 N ARG A 49 77.047 9.720 -6.526 1.00 0.00 N ATOM 853 CA ARG A 49 77.831 8.769 -7.307 1.00 0.00 C ATOM 854 C ARG A 49 78.082 9.308 -8.704 1.00 0.00 C ATOM 855 O ARG A 49 77.501 10.318 -9.094 1.00 0.00 O ATOM 856 CB ARG A 49 77.096 7.439 -7.406 1.00 0.00 C ATOM 857 CG ARG A 49 76.508 7.089 -6.042 1.00 0.00 C ATOM 858 CD ARG A 49 76.060 5.629 -6.028 1.00 0.00 C ATOM 859 NE ARG A 49 77.173 4.764 -5.653 1.00 0.00 N ATOM 860 CZ ARG A 49 76.975 3.485 -5.355 1.00 0.00 C ATOM 861 NH1 ARG A 49 75.771 2.986 -5.398 1.00 0.00 N ATOM 862 NH2 ARG A 49 77.983 2.731 -5.012 1.00 0.00 N ATOM 0 H ARG A 49 76.322 10.209 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 49 78.786 8.620 -6.804 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.304 7.502 -8.152 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.780 6.655 -7.733 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.250 7.258 -5.262 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.662 7.740 -5.823 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.237 5.500 -5.325 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.686 5.346 -7.012 1.00 0.00 H new ATOM 0 HE ARG A 49 78.118 5.147 -5.619 1.00 0.00 H new ATOM 0 HH11 ARG A 49 74.983 3.578 -5.660 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.618 2.004 -5.169 1.00 0.00 H new ATOM 0 HH21 ARG A 49 78.924 3.124 -4.973 1.00 0.00 H new ATOM 0 HH22 ARG A 49 77.831 1.749 -4.783 1.00 0.00 H new ATOM 876 N TRP A 50 78.950 8.640 -9.455 1.00 0.00 N ATOM 877 CA TRP A 50 79.254 9.098 -10.816 1.00 0.00 C ATOM 878 C TRP A 50 78.451 8.332 -11.871 1.00 0.00 C ATOM 879 O TRP A 50 78.238 7.138 -11.742 1.00 0.00 O ATOM 880 CB TRP A 50 80.724 8.903 -11.113 1.00 0.00 C ATOM 881 CG TRP A 50 81.530 9.718 -10.169 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.971 9.297 -8.963 1.00 0.00 C ATOM 883 CD2 TRP A 50 81.988 11.090 -10.327 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.703 10.324 -8.384 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.737 11.446 -9.186 1.00 0.00 C ATOM 886 CE3 TRP A 50 81.835 12.053 -11.345 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.319 12.702 -9.054 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.409 13.329 -11.207 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.155 13.646 -10.062 1.00 0.00 C ATOM 0 H TRP A 50 79.447 7.800 -9.160 1.00 0.00 H new ATOM 0 HA TRP A 50 78.984 10.153 -10.863 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.989 7.850 -11.019 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.941 9.196 -12.140 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.786 8.327 -8.525 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.161 10.257 -7.475 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.274 11.809 -12.235 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 83.895 12.943 -8.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 82.275 14.067 -11.984 1.00 0.00 H new ATOM 0 HH2 TRP A 50 83.602 14.624 -9.963 1.00 0.00 H new ATOM 900 N PRO A 51 78.031 8.976 -12.926 1.00 0.00 N ATOM 901 CA PRO A 51 77.246 8.301 -14.004 1.00 0.00 C ATOM 902 C PRO A 51 78.076 7.263 -14.759 1.00 0.00 C ATOM 903 O PRO A 51 77.531 6.367 -15.406 1.00 0.00 O ATOM 904 CB PRO A 51 76.831 9.452 -14.924 1.00 0.00 C ATOM 905 CG PRO A 51 77.838 10.527 -14.682 1.00 0.00 C ATOM 906 CD PRO A 51 78.268 10.396 -13.228 1.00 0.00 C ATOM 0 HA PRO A 51 76.398 7.743 -13.607 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.830 9.141 -15.969 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.823 9.797 -14.693 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.692 10.417 -15.351 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.409 11.511 -14.873 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.316 10.665 -13.093 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.685 11.047 -12.577 1.00 0.00 H new ATOM 914 N GLU A 52 79.395 7.406 -14.684 1.00 0.00 N ATOM 915 CA GLU A 52 80.283 6.488 -15.388 1.00 0.00 C ATOM 916 C GLU A 52 80.034 5.059 -14.930 1.00 0.00 C ATOM 917 O GLU A 52 79.777 4.174 -15.749 1.00 0.00 O ATOM 918 CB GLU A 52 81.736 6.861 -15.104 1.00 0.00 C ATOM 919 CG GLU A 52 82.029 8.252 -15.663 1.00 0.00 C ATOM 920 CD GLU A 52 81.966 8.229 -17.184 1.00 0.00 C ATOM 921 OE1 GLU A 52 82.099 7.154 -17.745 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.784 9.285 -17.766 1.00 0.00 O ATOM 0 H GLU A 52 79.867 8.137 -14.152 1.00 0.00 H new ATOM 0 HA GLU A 52 80.085 6.560 -16.458 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.923 6.843 -14.030 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.405 6.129 -15.556 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.307 8.969 -15.272 1.00 0.00 H new ATOM 0 HG3 GLU A 52 83.015 8.583 -15.337 1.00 0.00 H new ATOM 929 N THR A 53 80.109 4.839 -13.622 1.00 0.00 N ATOM 930 CA THR A 53 79.885 3.513 -13.069 1.00 0.00 C ATOM 931 C THR A 53 78.815 3.553 -11.983 1.00 0.00 C ATOM 932 O THR A 53 78.209 2.531 -11.666 1.00 0.00 O ATOM 933 CB THR A 53 81.176 2.964 -12.470 1.00 0.00 C ATOM 934 OG1 THR A 53 81.586 3.796 -11.395 1.00 0.00 O ATOM 935 CG2 THR A 53 82.274 2.925 -13.534 1.00 0.00 C ATOM 0 H THR A 53 80.322 5.558 -12.931 1.00 0.00 H new ATOM 0 HA THR A 53 79.551 2.866 -13.880 1.00 0.00 H new ATOM 0 HB THR A 53 81.000 1.952 -12.106 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.508 3.303 -10.552 1.00 0.00 H new ATOM 0 HG21 THR A 53 83.191 2.532 -13.096 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.960 2.283 -14.357 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.454 3.933 -13.908 1.00 0.00 H new ATOM 943 N GLY A 54 78.582 4.734 -11.407 1.00 0.00 N ATOM 944 CA GLY A 54 77.577 4.859 -10.351 1.00 0.00 C ATOM 945 C GLY A 54 78.150 4.502 -8.991 1.00 0.00 C ATOM 946 O GLY A 54 77.410 4.120 -8.084 1.00 0.00 O ATOM 0 H GLY A 54 79.064 5.600 -11.647 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.196 5.880 -10.329 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.732 4.208 -10.573 1.00 0.00 H new ATOM 950 N TYR A 55 79.463 4.620 -8.843 1.00 0.00 N ATOM 951 CA TYR A 55 80.087 4.294 -7.574 1.00 0.00 C ATOM 952 C TYR A 55 80.167 5.523 -6.684 1.00 0.00 C ATOM 953 O TYR A 55 80.056 6.663 -7.153 1.00 0.00 O ATOM 954 CB TYR A 55 81.484 3.714 -7.793 1.00 0.00 C ATOM 955 CG TYR A 55 81.412 2.357 -8.490 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.463 1.389 -8.106 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.301 2.067 -9.536 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.408 0.165 -8.768 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.236 0.829 -10.195 1.00 0.00 C ATOM 960 CZ TYR A 55 81.284 -0.116 -9.809 1.00 0.00 C ATOM 961 OH TYR A 55 81.207 -1.333 -10.449 1.00 0.00 O ATOM 0 H TYR A 55 80.104 4.933 -9.572 1.00 0.00 H new ATOM 0 HA TYR A 55 79.471 3.544 -7.078 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.078 4.404 -8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 55 81.992 3.608 -6.834 1.00 0.00 H new ATOM 0 HD1 TYR A 55 79.778 1.596 -7.298 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.037 2.798 -9.835 1.00 0.00 H new ATOM 0 HE1 TYR A 55 79.678 -0.572 -8.469 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.922 0.608 -11.000 1.00 0.00 H new ATOM 0 HH TYR A 55 82.110 -1.686 -10.590 1.00 0.00 H new ATOM 971 N VAL A 56 80.336 5.272 -5.392 1.00 0.00 N ATOM 972 CA VAL A 56 80.399 6.344 -4.416 1.00 0.00 C ATOM 973 C VAL A 56 81.504 7.322 -4.775 1.00 0.00 C ATOM 974 O VAL A 56 82.670 6.946 -4.900 1.00 0.00 O ATOM 975 CB VAL A 56 80.668 5.770 -3.021 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.733 6.899 -1.992 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.551 4.801 -2.627 1.00 0.00 C ATOM 0 H VAL A 56 80.431 4.335 -4.999 1.00 0.00 H new ATOM 0 HA VAL A 56 79.442 6.866 -4.418 1.00 0.00 H new ATOM 0 HB VAL A 56 81.620 5.240 -3.043 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.925 6.480 -1.004 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.536 7.587 -2.257 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.785 7.436 -1.981 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.752 4.399 -1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.597 5.329 -2.619 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.507 3.984 -3.347 1.00 0.00 H new ATOM 987 N LYS A 57 81.129 8.581 -4.926 1.00 0.00 N ATOM 988 CA LYS A 57 82.091 9.617 -5.261 1.00 0.00 C ATOM 989 C LYS A 57 82.965 9.944 -4.060 1.00 0.00 C ATOM 990 O LYS A 57 84.192 9.950 -4.156 1.00 0.00 O ATOM 991 CB LYS A 57 81.344 10.869 -5.724 1.00 0.00 C ATOM 992 CG LYS A 57 82.297 12.075 -5.704 1.00 0.00 C ATOM 993 CD LYS A 57 81.730 13.232 -6.534 1.00 0.00 C ATOM 994 CE LYS A 57 80.624 13.943 -5.773 1.00 0.00 C ATOM 995 NZ LYS A 57 81.197 14.550 -4.541 1.00 0.00 N ATOM 0 H LYS A 57 80.169 8.910 -4.822 1.00 0.00 H new ATOM 0 HA LYS A 57 82.735 9.258 -6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.952 10.719 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.490 11.057 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.455 12.402 -4.676 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.270 11.782 -6.098 1.00 0.00 H new ATOM 0 HD2 LYS A 57 82.525 13.938 -6.775 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.343 12.853 -7.480 1.00 0.00 H new ATOM 0 HE2 LYS A 57 80.173 14.714 -6.398 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.833 13.239 -5.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.639 15.386 -4.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.172 13.855 -3.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 82.181 14.834 -4.719 1.00 0.00 H new ATOM 1009 N LYS A 58 82.327 10.206 -2.930 1.00 0.00 N ATOM 1010 CA LYS A 58 83.060 10.526 -1.714 1.00 0.00 C ATOM 1011 C LYS A 58 82.337 9.957 -0.506 1.00 0.00 C ATOM 1012 O LYS A 58 81.113 9.841 -0.506 1.00 0.00 O ATOM 1013 CB LYS A 58 83.201 12.047 -1.571 1.00 0.00 C ATOM 1014 CG LYS A 58 81.816 12.693 -1.456 1.00 0.00 C ATOM 1015 CD LYS A 58 81.961 14.217 -1.510 1.00 0.00 C ATOM 1016 CE LYS A 58 80.584 14.868 -1.378 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.063 14.642 -0.001 1.00 0.00 N ATOM 0 H LYS A 58 81.312 10.204 -2.829 1.00 0.00 H new ATOM 0 HA LYS A 58 84.054 10.082 -1.774 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.796 12.284 -0.689 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.731 12.454 -2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.173 12.349 -2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.339 12.395 -0.522 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.615 14.559 -0.707 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.427 14.515 -2.449 1.00 0.00 H new ATOM 0 HE2 LYS A 58 80.653 15.936 -1.582 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.898 14.447 -2.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.297 15.317 0.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.698 13.671 0.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.830 14.780 0.687 1.00 0.00 H new ATOM 1031 N LEU A 59 83.089 9.596 0.524 1.00 0.00 N ATOM 1032 CA LEU A 59 82.477 9.036 1.721 1.00 0.00 C ATOM 1033 C LEU A 59 83.269 9.446 2.958 1.00 0.00 C ATOM 1034 O LEU A 59 84.500 9.435 2.959 1.00 0.00 O ATOM 1035 CB LEU A 59 82.450 7.506 1.619 1.00 0.00 C ATOM 1036 CG LEU A 59 81.192 6.931 2.226 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.939 7.470 1.528 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.212 5.402 2.114 1.00 0.00 C ATOM 0 H LEU A 59 84.105 9.678 0.557 1.00 0.00 H new ATOM 0 HA LEU A 59 81.459 9.416 1.806 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.518 7.209 0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.322 7.091 2.126 1.00 0.00 H new ATOM 0 HG LEU A 59 81.160 7.229 3.274 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.051 7.037 1.989 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.906 8.555 1.626 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.967 7.202 0.472 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.302 4.993 2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.269 5.115 1.064 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.079 5.010 2.645 1.00 0.00 H new ATOM 1050 N GLN A 60 82.548 9.814 4.008 1.00 0.00 N ATOM 1051 CA GLN A 60 83.181 10.236 5.248 1.00 0.00 C ATOM 1052 C GLN A 60 83.438 9.054 6.174 1.00 0.00 C ATOM 1053 O GLN A 60 82.561 8.232 6.415 1.00 0.00 O ATOM 1054 CB GLN A 60 82.295 11.250 5.965 1.00 0.00 C ATOM 1055 CG GLN A 60 83.110 11.959 7.046 1.00 0.00 C ATOM 1056 CD GLN A 60 82.194 12.377 8.189 1.00 0.00 C ATOM 1057 OE1 GLN A 60 81.325 11.608 8.601 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.342 13.548 8.745 1.00 0.00 N ATOM 0 H GLN A 60 81.528 9.829 4.026 1.00 0.00 H new ATOM 0 HA GLN A 60 84.139 10.690 4.993 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.905 11.977 5.253 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.436 10.748 6.411 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.892 11.297 7.418 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.606 12.834 6.626 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.061 14.187 8.405 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.739 13.825 9.519 1.00 0.00 H new ATOM 1067 N ARG A 61 84.659 8.972 6.683 1.00 0.00 N ATOM 1068 CA ARG A 61 85.019 7.880 7.568 1.00 0.00 C ATOM 1069 C ARG A 61 84.499 8.119 8.981 1.00 0.00 C ATOM 1070 O ARG A 61 83.897 9.153 9.278 1.00 0.00 O ATOM 1071 CB ARG A 61 86.538 7.690 7.598 1.00 0.00 C ATOM 1072 CG ARG A 61 87.091 7.791 6.178 1.00 0.00 C ATOM 1073 CD ARG A 61 88.151 6.707 5.957 1.00 0.00 C ATOM 1074 NE ARG A 61 89.198 6.804 6.965 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.992 5.771 7.232 1.00 0.00 C ATOM 1076 NH1 ARG A 61 89.839 4.647 6.585 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.920 5.879 8.141 1.00 0.00 N ATOM 0 H ARG A 61 85.407 9.641 6.500 1.00 0.00 H new ATOM 0 HA ARG A 61 84.554 6.974 7.180 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.998 8.447 8.234 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.786 6.720 8.028 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.284 7.677 5.454 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.527 8.777 6.017 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.687 5.722 6.000 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.585 6.812 4.962 1.00 0.00 H new ATOM 0 HE ARG A 61 89.324 7.679 7.474 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.111 4.562 5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 61 90.447 3.854 6.789 1.00 0.00 H new ATOM 0 HH21 ARG A 61 91.038 6.756 8.648 1.00 0.00 H new ATOM 0 HH22 ARG A 61 91.529 5.086 8.345 1.00 0.00 H new ATOM 1091 N ARG A 62 84.745 7.149 9.856 1.00 0.00 N ATOM 1092 CA ARG A 62 84.304 7.261 11.236 1.00 0.00 C ATOM 1093 C ARG A 62 85.136 8.298 11.972 1.00 0.00 C ATOM 1094 O ARG A 62 84.801 8.701 13.088 1.00 0.00 O ATOM 1095 CB ARG A 62 84.405 5.917 11.964 1.00 0.00 C ATOM 1096 CG ARG A 62 83.048 5.206 11.941 1.00 0.00 C ATOM 1097 CD ARG A 62 82.159 5.745 13.066 1.00 0.00 C ATOM 1098 NE ARG A 62 80.761 5.453 12.786 1.00 0.00 N ATOM 1099 CZ ARG A 62 79.806 5.798 13.640 1.00 0.00 C ATOM 1100 NH1 ARG A 62 80.118 6.408 14.750 1.00 0.00 N ATOM 1101 NH2 ARG A 62 78.560 5.529 13.369 1.00 0.00 N ATOM 0 H ARG A 62 85.242 6.286 9.635 1.00 0.00 H new ATOM 0 HA ARG A 62 83.259 7.571 11.225 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.161 5.292 11.488 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.725 6.075 12.994 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.563 5.360 10.977 1.00 0.00 H new ATOM 0 HG3 ARG A 62 83.188 4.132 12.059 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.449 5.295 14.016 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.300 6.821 13.167 1.00 0.00 H new ATOM 0 HE ARG A 62 80.512 4.976 11.920 1.00 0.00 H new ATOM 0 HH11 ARG A 62 81.094 6.618 14.959 1.00 0.00 H new ATOM 0 HH12 ARG A 62 79.386 6.675 15.409 1.00 0.00 H new ATOM 0 HH21 ARG A 62 78.318 5.053 12.500 1.00 0.00 H new ATOM 0 HH22 ARG A 62 77.826 5.795 14.026 1.00 0.00 H new ATOM 1115 N ASP A 63 86.220 8.725 11.341 1.00 0.00 N ATOM 1116 CA ASP A 63 87.100 9.715 11.940 1.00 0.00 C ATOM 1117 C ASP A 63 86.732 11.118 11.489 1.00 0.00 C ATOM 1118 O ASP A 63 87.489 12.057 11.724 1.00 0.00 O ATOM 1119 CB ASP A 63 88.547 9.434 11.571 1.00 0.00 C ATOM 1120 CG ASP A 63 89.034 8.182 12.284 1.00 0.00 C ATOM 1121 OD1 ASP A 63 88.372 7.765 13.222 1.00 0.00 O ATOM 1122 OD2 ASP A 63 90.055 7.655 11.884 1.00 0.00 O ATOM 0 H ASP A 63 86.510 8.402 10.418 1.00 0.00 H new ATOM 0 HA ASP A 63 86.981 9.649 13.022 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.637 9.306 10.492 1.00 0.00 H new ATOM 0 HB3 ASP A 63 89.172 10.284 11.844 1.00 0.00 H new ATOM 1127 N ASN A 64 85.584 11.246 10.829 1.00 0.00 N ATOM 1128 CA ASN A 64 85.113 12.541 10.331 1.00 0.00 C ATOM 1129 C ASN A 64 86.035 13.079 9.245 1.00 0.00 C ATOM 1130 O ASN A 64 86.233 14.289 9.128 1.00 0.00 O ATOM 1131 CB ASN A 64 85.017 13.553 11.478 1.00 0.00 C ATOM 1132 CG ASN A 64 84.135 12.997 12.586 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.185 12.262 12.323 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.392 13.325 13.819 1.00 0.00 N ATOM 0 H ASN A 64 84.958 10.467 10.625 1.00 0.00 H new ATOM 0 HA ASN A 64 84.122 12.392 9.901 1.00 0.00 H new ATOM 0 HB2 ASN A 64 86.012 13.770 11.867 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.606 14.494 11.111 1.00 0.00 H new ATOM 0 HD21 ASN A 64 83.804 12.972 14.574 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.182 13.935 14.030 1.00 0.00 H new ATOM 1141 N THR A 65 86.579 12.167 8.443 1.00 0.00 N ATOM 1142 CA THR A 65 87.465 12.555 7.349 1.00 0.00 C ATOM 1143 C THR A 65 86.886 12.120 6.006 1.00 0.00 C ATOM 1144 O THR A 65 86.487 10.968 5.832 1.00 0.00 O ATOM 1145 CB THR A 65 88.841 11.912 7.546 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.686 10.513 7.747 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.523 12.538 8.761 1.00 0.00 C ATOM 0 H THR A 65 86.424 11.163 8.529 1.00 0.00 H new ATOM 0 HA THR A 65 87.563 13.641 7.352 1.00 0.00 H new ATOM 0 HB THR A 65 89.455 12.081 6.661 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.566 10.101 7.871 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.503 12.082 8.903 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.641 13.609 8.600 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.912 12.370 9.648 1.00 0.00 H new ATOM 1155 N PHE A 66 86.847 13.051 5.057 1.00 0.00 N ATOM 1156 CA PHE A 66 86.315 12.752 3.733 1.00 0.00 C ATOM 1157 C PHE A 66 87.307 11.912 2.937 1.00 0.00 C ATOM 1158 O PHE A 66 88.467 12.293 2.778 1.00 0.00 O ATOM 1159 CB PHE A 66 86.030 14.053 2.979 1.00 0.00 C ATOM 1160 CG PHE A 66 84.729 14.647 3.463 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.515 14.047 3.109 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.734 15.797 4.262 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.307 14.593 3.553 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.523 16.347 4.705 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.309 15.744 4.350 1.00 0.00 C ATOM 0 H PHE A 66 87.174 14.009 5.179 1.00 0.00 H new ATOM 0 HA PHE A 66 85.389 12.189 3.852 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.844 14.761 3.135 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.976 13.859 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.511 13.161 2.492 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.670 16.260 4.537 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.372 14.127 3.281 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.526 17.235 5.320 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.376 16.167 4.691 1.00 0.00 H new ATOM 1175 N PHE A 67 86.842 10.766 2.447 1.00 0.00 N ATOM 1176 CA PHE A 67 87.693 9.868 1.674 1.00 0.00 C ATOM 1177 C PHE A 67 87.182 9.763 0.242 1.00 0.00 C ATOM 1178 O PHE A 67 86.038 9.371 0.007 1.00 0.00 O ATOM 1179 CB PHE A 67 87.698 8.479 2.314 1.00 0.00 C ATOM 1180 CG PHE A 67 88.824 7.664 1.724 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.630 6.951 0.535 1.00 0.00 C ATOM 1182 CD2 PHE A 67 90.068 7.632 2.365 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.681 6.205 -0.011 1.00 0.00 C ATOM 1184 CE2 PHE A 67 91.119 6.886 1.819 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.925 6.172 0.631 1.00 0.00 C ATOM 0 H PHE A 67 85.884 10.439 2.571 1.00 0.00 H new ATOM 0 HA PHE A 67 88.707 10.268 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.821 8.564 3.394 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.744 7.982 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.671 6.976 0.040 1.00 0.00 H new ATOM 0 HD2 PHE A 67 90.217 8.183 3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 67 89.532 5.654 -0.928 1.00 0.00 H new ATOM 0 HE2 PHE A 67 92.079 6.861 2.314 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.735 5.595 0.209 1.00 0.00 H new ATOM 1195 N TYR A 68 88.032 10.118 -0.712 1.00 0.00 N ATOM 1196 CA TYR A 68 87.647 10.056 -2.113 1.00 0.00 C ATOM 1197 C TYR A 68 87.817 8.635 -2.638 1.00 0.00 C ATOM 1198 O TYR A 68 88.840 7.993 -2.395 1.00 0.00 O ATOM 1199 CB TYR A 68 88.511 11.016 -2.937 1.00 0.00 C ATOM 1200 CG TYR A 68 88.300 12.430 -2.448 1.00 0.00 C ATOM 1201 CD1 TYR A 68 87.048 13.042 -2.590 1.00 0.00 C ATOM 1202 CD2 TYR A 68 89.355 13.129 -1.843 1.00 0.00 C ATOM 1203 CE1 TYR A 68 86.851 14.349 -2.129 1.00 0.00 C ATOM 1204 CE2 TYR A 68 89.156 14.437 -1.383 1.00 0.00 C ATOM 1205 CZ TYR A 68 87.905 15.047 -1.526 1.00 0.00 C ATOM 1206 OH TYR A 68 87.709 16.336 -1.073 1.00 0.00 O ATOM 0 H TYR A 68 88.982 10.448 -0.543 1.00 0.00 H new ATOM 0 HA TYR A 68 86.601 10.349 -2.203 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.562 10.743 -2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 68 88.250 10.942 -3.993 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.234 12.505 -3.055 1.00 0.00 H new ATOM 0 HD2 TYR A 68 90.321 12.659 -1.732 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.885 14.820 -2.238 1.00 0.00 H new ATOM 0 HE2 TYR A 68 89.969 14.975 -0.918 1.00 0.00 H new ATOM 0 HH TYR A 68 88.541 16.675 -0.680 1.00 0.00 H new ATOM 1216 N TYR A 69 86.809 8.152 -3.358 1.00 0.00 N ATOM 1217 CA TYR A 69 86.843 6.806 -3.920 1.00 0.00 C ATOM 1218 C TYR A 69 86.975 6.849 -5.439 1.00 0.00 C ATOM 1219 O TYR A 69 86.586 7.826 -6.081 1.00 0.00 O ATOM 1220 CB TYR A 69 85.579 6.040 -3.534 1.00 0.00 C ATOM 1221 CG TYR A 69 85.660 5.627 -2.081 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.291 4.424 -1.744 1.00 0.00 C ATOM 1223 CD2 TYR A 69 85.101 6.432 -1.075 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.368 4.025 -0.405 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.180 6.027 0.265 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.814 4.826 0.598 1.00 0.00 C ATOM 1227 OH TYR A 69 85.890 4.429 1.915 1.00 0.00 O ATOM 0 H TYR A 69 85.957 8.674 -3.566 1.00 0.00 H new ATOM 0 HA TYR A 69 87.714 6.294 -3.512 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.700 6.663 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.467 5.160 -4.167 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.719 3.803 -2.518 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.612 7.360 -1.333 1.00 0.00 H new ATOM 0 HE1 TYR A 69 86.856 3.097 -0.146 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.751 6.643 1.041 1.00 0.00 H new ATOM 0 HH TYR A 69 85.157 3.809 2.113 1.00 0.00 H new ATOM 1237 N ASN A 70 87.528 5.781 -6.006 1.00 0.00 N ATOM 1238 CA ASN A 70 87.712 5.700 -7.448 1.00 0.00 C ATOM 1239 C ASN A 70 86.411 5.300 -8.131 1.00 0.00 C ATOM 1240 O ASN A 70 85.889 4.210 -7.903 1.00 0.00 O ATOM 1241 CB ASN A 70 88.793 4.673 -7.788 1.00 0.00 C ATOM 1242 CG ASN A 70 89.129 4.740 -9.274 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.249 3.634 -9.953 1.00 0.00 O flip ATOM 1244 ND2 ASN A 70 89.279 5.829 -9.829 1.00 0.00 N flip ATOM 0 H ASN A 70 87.855 4.964 -5.490 1.00 0.00 H new ATOM 0 HA ASN A 70 88.018 6.683 -7.806 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.688 4.865 -7.196 1.00 0.00 H new ATOM 0 HB3 ASN A 70 88.449 3.672 -7.530 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.184 6.692 -9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.498 5.868 -10.824 1.00 0.00 H new ATOM 1251 N LYS A 71 85.898 6.183 -8.971 1.00 0.00 N ATOM 1252 CA LYS A 71 84.668 5.901 -9.677 1.00 0.00 C ATOM 1253 C LYS A 71 84.894 4.832 -10.731 1.00 0.00 C ATOM 1254 O LYS A 71 83.940 4.329 -11.331 1.00 0.00 O ATOM 1255 CB LYS A 71 84.144 7.167 -10.340 1.00 0.00 C ATOM 1256 CG LYS A 71 85.221 7.763 -11.249 1.00 0.00 C ATOM 1257 CD LYS A 71 84.713 7.819 -12.685 1.00 0.00 C ATOM 1258 CE LYS A 71 85.859 8.223 -13.605 1.00 0.00 C ATOM 1259 NZ LYS A 71 86.882 7.145 -13.631 1.00 0.00 N ATOM 0 H LYS A 71 86.312 7.092 -9.177 1.00 0.00 H new ATOM 0 HA LYS A 71 83.933 5.539 -8.958 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.250 6.940 -10.921 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.855 7.893 -9.580 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.484 8.764 -10.908 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.127 7.160 -11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.317 6.848 -12.982 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.895 8.535 -12.767 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.483 8.406 -14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 71 86.306 9.154 -13.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.429 7.207 -14.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 87.522 7.254 -12.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.412 6.219 -13.579 1.00 0.00 H new ATOM 1273 N GLU A 72 86.155 4.510 -10.984 1.00 0.00 N ATOM 1274 CA GLU A 72 86.450 3.523 -12.009 1.00 0.00 C ATOM 1275 C GLU A 72 86.477 2.123 -11.477 1.00 0.00 C ATOM 1276 O GLU A 72 86.297 1.166 -12.239 1.00 0.00 O ATOM 1277 CB GLU A 72 87.744 3.842 -12.737 1.00 0.00 C ATOM 1278 CG GLU A 72 87.546 3.615 -14.232 1.00 0.00 C ATOM 1279 CD GLU A 72 88.849 3.895 -14.959 1.00 0.00 C ATOM 1280 OE1 GLU A 72 89.853 4.058 -14.294 1.00 0.00 O ATOM 1281 OE2 GLU A 72 88.829 3.948 -16.186 1.00 0.00 O ATOM 0 H GLU A 72 86.967 4.905 -10.509 1.00 0.00 H new ATOM 0 HA GLU A 72 85.629 3.579 -12.724 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.036 4.875 -12.549 1.00 0.00 H new ATOM 0 HB3 GLU A 72 88.550 3.210 -12.365 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.226 2.589 -14.417 1.00 0.00 H new ATOM 0 HG3 GLU A 72 86.758 4.267 -14.609 1.00 0.00 H new ATOM 1365 N LYS A 78 91.753 -9.420 -5.314 1.00 0.00 N ATOM 1366 CA LYS A 78 92.385 -9.783 -4.055 1.00 0.00 C ATOM 1367 C LYS A 78 91.617 -9.187 -2.877 1.00 0.00 C ATOM 1368 O LYS A 78 91.704 -9.674 -1.747 1.00 0.00 O ATOM 1369 CB LYS A 78 93.833 -9.265 -4.032 1.00 0.00 C ATOM 1370 CG LYS A 78 93.843 -7.730 -4.002 1.00 0.00 C ATOM 1371 CD LYS A 78 95.285 -7.225 -4.042 1.00 0.00 C ATOM 1372 CE LYS A 78 95.281 -5.697 -3.990 1.00 0.00 C ATOM 1373 NZ LYS A 78 96.683 -5.197 -4.038 1.00 0.00 N ATOM 0 HA LYS A 78 92.380 -10.869 -3.967 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.354 -9.657 -3.159 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.370 -9.623 -4.911 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.286 -7.336 -4.852 1.00 0.00 H new ATOM 0 HG3 LYS A 78 93.346 -7.371 -3.101 1.00 0.00 H new ATOM 0 HD2 LYS A 78 95.848 -7.628 -3.201 1.00 0.00 H new ATOM 0 HD3 LYS A 78 95.779 -7.569 -4.951 1.00 0.00 H new ATOM 0 HE2 LYS A 78 94.711 -5.295 -4.828 1.00 0.00 H new ATOM 0 HE3 LYS A 78 94.792 -5.354 -3.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 96.682 -4.158 -4.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 97.213 -5.571 -3.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 97.134 -5.513 -4.920 1.00 0.00 H new ATOM 1387 N GLU A 79 90.846 -8.143 -3.153 1.00 0.00 N ATOM 1388 CA GLU A 79 90.066 -7.493 -2.112 1.00 0.00 C ATOM 1389 C GLU A 79 88.756 -8.237 -1.900 1.00 0.00 C ATOM 1390 O GLU A 79 88.259 -8.314 -0.782 1.00 0.00 O ATOM 1391 CB GLU A 79 89.786 -6.039 -2.498 1.00 0.00 C ATOM 1392 CG GLU A 79 90.016 -5.128 -1.289 1.00 0.00 C ATOM 1393 CD GLU A 79 89.758 -3.674 -1.669 1.00 0.00 C ATOM 1394 OE1 GLU A 79 88.601 -3.299 -1.743 1.00 0.00 O ATOM 1395 OE2 GLU A 79 90.722 -2.956 -1.879 1.00 0.00 O ATOM 0 H GLU A 79 90.745 -7.732 -4.081 1.00 0.00 H new ATOM 0 HA GLU A 79 90.635 -7.509 -1.183 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.437 -5.739 -3.320 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.760 -5.938 -2.851 1.00 0.00 H new ATOM 0 HG2 GLU A 79 89.356 -5.421 -0.473 1.00 0.00 H new ATOM 0 HG3 GLU A 79 91.038 -5.241 -0.928 1.00 0.00 H new ATOM 1402 N VAL A 80 88.206 -8.797 -2.969 1.00 0.00 N ATOM 1403 CA VAL A 80 86.960 -9.535 -2.844 1.00 0.00 C ATOM 1404 C VAL A 80 87.129 -10.655 -1.831 1.00 0.00 C ATOM 1405 O VAL A 80 86.319 -10.802 -0.915 1.00 0.00 O ATOM 1406 CB VAL A 80 86.582 -10.119 -4.212 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.456 -11.151 -4.088 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.092 -8.997 -5.119 1.00 0.00 C ATOM 0 H VAL A 80 88.593 -8.756 -3.912 1.00 0.00 H new ATOM 0 HA VAL A 80 86.169 -8.867 -2.504 1.00 0.00 H new ATOM 0 HB VAL A 80 87.467 -10.604 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.213 -11.545 -5.075 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.780 -11.967 -3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.573 -10.677 -3.659 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.822 -9.407 -6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.219 -8.522 -4.671 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.883 -8.258 -5.244 1.00 0.00 H new ATOM 1418 N HIS A 81 88.180 -11.433 -1.996 1.00 0.00 N ATOM 1419 CA HIS A 81 88.433 -12.530 -1.076 1.00 0.00 C ATOM 1420 C HIS A 81 88.654 -12.008 0.339 1.00 0.00 C ATOM 1421 O HIS A 81 88.121 -12.557 1.304 1.00 0.00 O ATOM 1422 CB HIS A 81 89.658 -13.324 -1.523 1.00 0.00 C ATOM 1423 CG HIS A 81 89.978 -14.382 -0.500 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.226 -15.539 -0.362 1.00 0.00 N ATOM 1425 CD2 HIS A 81 90.971 -14.468 0.446 1.00 0.00 C ATOM 1426 CE1 HIS A 81 89.775 -16.265 0.632 1.00 0.00 C ATOM 1427 NE2 HIS A 81 90.841 -15.656 1.157 1.00 0.00 N ATOM 0 H HIS A 81 88.865 -11.331 -2.745 1.00 0.00 H new ATOM 0 HA HIS A 81 87.559 -13.182 -1.079 1.00 0.00 H new ATOM 0 HB2 HIS A 81 89.470 -13.786 -2.492 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.510 -12.656 -1.649 1.00 0.00 H new ATOM 0 HD2 HIS A 81 91.737 -13.725 0.612 1.00 0.00 H new ATOM 0 HE1 HIS A 81 89.399 -17.222 0.963 1.00 0.00 H new ATOM 0 HE2 HIS A 81 91.433 -15.991 1.917 1.00 0.00 H new ATOM 1435 N LYS A 82 89.444 -10.942 0.455 1.00 0.00 N ATOM 1436 CA LYS A 82 89.729 -10.354 1.760 1.00 0.00 C ATOM 1437 C LYS A 82 88.502 -9.626 2.312 1.00 0.00 C ATOM 1438 O LYS A 82 88.329 -9.508 3.527 1.00 0.00 O ATOM 1439 CB LYS A 82 90.890 -9.373 1.633 1.00 0.00 C ATOM 1440 CG LYS A 82 92.169 -10.139 1.291 1.00 0.00 C ATOM 1441 CD LYS A 82 93.149 -10.052 2.462 1.00 0.00 C ATOM 1442 CE LYS A 82 93.665 -8.617 2.585 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.504 -8.150 3.990 1.00 0.00 N ATOM 0 H LYS A 82 89.894 -10.473 -0.331 1.00 0.00 H new ATOM 0 HA LYS A 82 89.993 -11.155 2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.676 -8.637 0.858 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.020 -8.824 2.566 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.934 -11.182 1.077 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.624 -9.724 0.392 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.656 -10.354 3.386 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.982 -10.738 2.306 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.714 -8.570 2.293 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.116 -7.963 1.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.855 -7.175 4.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.498 -8.180 4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.047 -8.769 4.626 1.00 0.00 H new ATOM 1457 N VAL A 83 87.662 -9.142 1.406 1.00 0.00 N ATOM 1458 CA VAL A 83 86.450 -8.419 1.783 1.00 0.00 C ATOM 1459 C VAL A 83 85.359 -9.377 2.239 1.00 0.00 C ATOM 1460 O VAL A 83 85.151 -10.428 1.633 1.00 0.00 O ATOM 1461 CB VAL A 83 85.935 -7.596 0.601 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.542 -7.054 0.929 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.879 -6.422 0.355 1.00 0.00 C ATOM 0 H VAL A 83 87.797 -9.237 0.399 1.00 0.00 H new ATOM 0 HA VAL A 83 86.703 -7.756 2.610 1.00 0.00 H new ATOM 0 HB VAL A 83 85.887 -8.226 -0.287 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.173 -6.467 0.088 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.863 -7.886 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.597 -6.423 1.816 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.515 -5.833 -0.487 1.00 0.00 H new ATOM 0 HG22 VAL A 83 86.920 -5.795 1.246 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.877 -6.798 0.130 1.00 0.00 H new ATOM 1473 N LYS A 84 84.660 -8.996 3.302 1.00 0.00 N ATOM 1474 CA LYS A 84 83.576 -9.816 3.831 1.00 0.00 C ATOM 1475 C LYS A 84 82.244 -9.102 3.633 1.00 0.00 C ATOM 1476 O LYS A 84 82.159 -7.883 3.776 1.00 0.00 O ATOM 1477 CB LYS A 84 83.799 -10.089 5.321 1.00 0.00 C ATOM 1478 CG LYS A 84 84.286 -8.815 6.011 1.00 0.00 C ATOM 1479 CD LYS A 84 84.175 -8.983 7.528 1.00 0.00 C ATOM 1480 CE LYS A 84 82.973 -8.189 8.040 1.00 0.00 C ATOM 1481 NZ LYS A 84 82.850 -8.367 9.514 1.00 0.00 N ATOM 0 H LYS A 84 84.823 -8.128 3.813 1.00 0.00 H new ATOM 0 HA LYS A 84 83.559 -10.765 3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 84 82.872 -10.431 5.781 1.00 0.00 H new ATOM 0 HB3 LYS A 84 84.531 -10.886 5.449 1.00 0.00 H new ATOM 0 HG2 LYS A 84 85.319 -8.610 5.732 1.00 0.00 H new ATOM 0 HG3 LYS A 84 83.692 -7.962 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 84 84.063 -10.037 7.781 1.00 0.00 H new ATOM 0 HD3 LYS A 84 85.088 -8.634 8.011 1.00 0.00 H new ATOM 0 HE2 LYS A 84 83.093 -7.133 7.799 1.00 0.00 H new ATOM 0 HE3 LYS A 84 82.063 -8.528 7.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 82.032 -7.827 9.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 82.717 -9.375 9.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 83.715 -8.024 9.979 1.00 0.00 H new ATOM 1495 N VAL A 85 81.210 -9.868 3.297 1.00 0.00 N ATOM 1496 CA VAL A 85 79.892 -9.294 3.067 1.00 0.00 C ATOM 1497 C VAL A 85 78.946 -9.656 4.208 1.00 0.00 C ATOM 1498 O VAL A 85 78.773 -10.830 4.537 1.00 0.00 O ATOM 1499 CB VAL A 85 79.324 -9.824 1.749 1.00 0.00 C ATOM 1500 CG1 VAL A 85 77.997 -9.129 1.439 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.321 -9.568 0.619 1.00 0.00 C ATOM 0 H VAL A 85 81.260 -10.880 3.179 1.00 0.00 H new ATOM 0 HA VAL A 85 79.987 -8.209 3.018 1.00 0.00 H new ATOM 0 HB VAL A 85 79.151 -10.897 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.597 -9.510 0.499 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.287 -9.326 2.242 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.160 -8.055 1.354 1.00 0.00 H new ATOM 0 HG21 VAL A 85 79.914 -9.947 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.502 -8.497 0.530 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.259 -10.078 0.839 1.00 0.00 H new ATOM 1511 N TYR A 86 78.340 -8.642 4.812 1.00 0.00 N ATOM 1512 CA TYR A 86 77.419 -8.868 5.919 1.00 0.00 C ATOM 1513 C TYR A 86 75.995 -9.063 5.402 1.00 0.00 C ATOM 1514 O TYR A 86 75.562 -8.371 4.480 1.00 0.00 O ATOM 1515 CB TYR A 86 77.470 -7.672 6.873 1.00 0.00 C ATOM 1516 CG TYR A 86 76.416 -6.660 6.482 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.465 -6.045 5.226 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.383 -6.346 7.370 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.481 -5.117 4.862 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.399 -5.419 7.006 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.448 -4.804 5.750 1.00 0.00 C ATOM 1522 OH TYR A 86 73.480 -3.892 5.389 1.00 0.00 O ATOM 0 H TYR A 86 78.468 -7.663 4.557 1.00 0.00 H new ATOM 0 HA TYR A 86 77.718 -9.772 6.450 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.305 -8.005 7.898 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.458 -7.212 6.842 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.261 -6.286 4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.344 -6.820 8.340 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.521 -4.642 3.893 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.602 -5.179 7.694 1.00 0.00 H new ATOM 0 HH TYR A 86 73.317 -3.276 6.133 1.00 0.00 H new ATOM 1532 N VAL A 87 75.274 -10.007 6.004 1.00 0.00 N ATOM 1533 CA VAL A 87 73.899 -10.281 5.601 1.00 0.00 C ATOM 1534 C VAL A 87 72.964 -10.254 6.809 1.00 0.00 C ATOM 1535 O VAL A 87 73.203 -10.922 7.817 1.00 0.00 O ATOM 1536 CB VAL A 87 73.819 -11.645 4.910 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.395 -11.540 3.495 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.633 -12.667 5.703 1.00 0.00 C ATOM 0 H VAL A 87 75.617 -10.590 6.767 1.00 0.00 H new ATOM 0 HA VAL A 87 73.584 -9.505 4.904 1.00 0.00 H new ATOM 0 HB VAL A 87 72.777 -11.960 4.860 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.337 -12.512 3.005 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.822 -10.810 2.922 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.436 -11.223 3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.576 -13.638 5.211 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.673 -12.345 5.751 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.231 -12.748 6.713 1.00 0.00 H new ATOM 1548 N TYR A 88 71.894 -9.478 6.694 1.00 0.00 N ATOM 1549 CA TYR A 88 70.927 -9.371 7.777 1.00 0.00 C ATOM 1550 C TYR A 88 69.779 -10.350 7.564 1.00 0.00 C ATOM 1551 O TYR A 88 68.879 -10.366 8.387 1.00 0.00 O ATOM 1552 CB TYR A 88 70.382 -7.944 7.859 1.00 0.00 C ATOM 1553 CG TYR A 88 69.967 -7.484 6.483 1.00 0.00 C ATOM 1554 CD1 TYR A 88 68.665 -7.717 6.029 1.00 0.00 C ATOM 1555 CD2 TYR A 88 70.890 -6.828 5.660 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.283 -7.293 4.751 1.00 0.00 C ATOM 1557 CE2 TYR A 88 70.509 -6.403 4.382 1.00 0.00 C ATOM 1558 CZ TYR A 88 69.205 -6.635 3.927 1.00 0.00 C ATOM 1559 OH TYR A 88 68.831 -6.216 2.668 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.820 -11.074 6.582 1.00 0.00 O ATOM 0 H TYR A 88 71.675 -8.918 5.870 1.00 0.00 H new ATOM 0 HA TYR A 88 71.429 -9.615 8.713 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.531 -7.907 8.539 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.142 -7.276 8.264 1.00 0.00 H new ATOM 0 HD1 TYR A 88 67.954 -8.224 6.665 1.00 0.00 H new ATOM 0 HD2 TYR A 88 71.896 -6.650 6.011 1.00 0.00 H new ATOM 0 HE1 TYR A 88 67.278 -7.473 4.400 1.00 0.00 H new ATOM 0 HE2 TYR A 88 71.221 -5.896 3.747 1.00 0.00 H new ATOM 0 HH TYR A 88 69.590 -5.777 2.231 1.00 0.00 H new