USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=18 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+ -144:sc= -0.142 (180deg=0) USER MOD Set 1.2: A 60 GLN : amide:sc= -0.816 K(o=-0.96,f=-10!) USER MOD Single : A 10 SER OG : rot -18:sc= 0.511 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 126:sc= -0.147 (180deg=-1.05) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0632 USER MOD Single : A 23 ASN : amide:sc= -3.06! C(o=-3.1!,f=-2.9!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= -5.46! C(o=-5.5!,f=-5.4!) USER MOD Single : A 29 GLN : amide:sc= -0.202 X(o=-0.2,f=-0.21) USER MOD Single : A 32 TYR OH : rot 30:sc= 0 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= -0.0106 K(o=-0.011,f=-1.1) USER MOD Single : A 43 GLN : amide:sc= -1.81 K(o=-1.8,f=-2.6!) USER MOD Single : A 46 MET CE :methyl -173:sc= 0 (180deg=-0.0196) USER MOD Single : A 53 THR OG1 : rot 101:sc= -0.212 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.02! C(o=-2!,f=-3!) USER MOD Single : A 65 THR OG1 : rot -121:sc= 0.37 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -121:sc= 0.577 USER MOD Single : A 70 ASN : amide:sc= -5.77! C(o=-5.8!,f=-8.9!) USER MOD Single : A 71 LYS NZ :NH3+ -118:sc= -1.09 (180deg=-4.35!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.132 X(o=-0.13,f=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.11) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.567 -11.484 10.913 1.00 0.00 N ATOM 194 CA SER A 10 75.789 -12.257 10.715 1.00 0.00 C ATOM 195 C SER A 10 76.741 -11.541 9.761 1.00 0.00 C ATOM 196 O SER A 10 76.452 -10.447 9.274 1.00 0.00 O ATOM 197 CB SER A 10 75.449 -13.641 10.160 1.00 0.00 C ATOM 198 OG SER A 10 74.072 -13.683 9.814 1.00 0.00 O ATOM 0 HA SER A 10 76.283 -12.363 11.681 1.00 0.00 H new ATOM 0 HB2 SER A 10 76.062 -13.855 9.285 1.00 0.00 H new ATOM 0 HB3 SER A 10 75.673 -14.408 10.902 1.00 0.00 H new ATOM 0 HG SER A 10 73.600 -12.951 10.263 1.00 0.00 H new ATOM 204 N ILE A 11 77.885 -12.168 9.509 1.00 0.00 N ATOM 205 CA ILE A 11 78.875 -11.591 8.608 1.00 0.00 C ATOM 206 C ILE A 11 79.416 -12.650 7.652 1.00 0.00 C ATOM 207 O ILE A 11 79.809 -13.739 8.075 1.00 0.00 O ATOM 208 CB ILE A 11 80.019 -10.952 9.403 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.460 -9.849 10.313 1.00 0.00 C ATOM 210 CG2 ILE A 11 81.041 -10.348 8.435 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.192 -10.422 11.707 1.00 0.00 C ATOM 0 H ILE A 11 78.148 -13.067 9.912 1.00 0.00 H new ATOM 0 HA ILE A 11 78.388 -10.814 8.019 1.00 0.00 H new ATOM 0 HB ILE A 11 80.504 -11.714 10.014 1.00 0.00 H new ATOM 0 HG12 ILE A 11 80.168 -9.023 10.378 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.539 -9.447 9.891 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.854 -9.894 9.001 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.440 -11.132 7.792 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.557 -9.588 7.822 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.795 -9.638 12.352 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.468 -11.233 11.634 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.122 -10.803 12.129 1.00 0.00 H new ATOM 223 N SER A 12 79.432 -12.316 6.362 1.00 0.00 N ATOM 224 CA SER A 12 79.923 -13.234 5.339 1.00 0.00 C ATOM 225 C SER A 12 81.063 -12.598 4.557 1.00 0.00 C ATOM 226 O SER A 12 81.418 -11.443 4.791 1.00 0.00 O ATOM 227 CB SER A 12 78.795 -13.622 4.384 1.00 0.00 C ATOM 228 OG SER A 12 77.789 -14.315 5.109 1.00 0.00 O ATOM 0 H SER A 12 79.111 -11.417 6.002 1.00 0.00 H new ATOM 0 HA SER A 12 80.292 -14.132 5.835 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.375 -12.731 3.916 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.181 -14.251 3.582 1.00 0.00 H new ATOM 0 HG SER A 12 77.062 -14.565 4.502 1.00 0.00 H new ATOM 234 N ARG A 13 81.634 -13.365 3.632 1.00 0.00 N ATOM 235 CA ARG A 13 82.744 -12.875 2.820 1.00 0.00 C ATOM 236 C ARG A 13 82.359 -12.812 1.348 1.00 0.00 C ATOM 237 O ARG A 13 81.765 -13.746 0.813 1.00 0.00 O ATOM 238 CB ARG A 13 83.959 -13.787 2.992 1.00 0.00 C ATOM 239 CG ARG A 13 84.753 -13.366 4.233 1.00 0.00 C ATOM 240 CD ARG A 13 83.871 -13.486 5.479 1.00 0.00 C ATOM 241 NE ARG A 13 84.674 -13.888 6.626 1.00 0.00 N ATOM 242 CZ ARG A 13 85.488 -13.032 7.231 1.00 0.00 C ATOM 243 NH1 ARG A 13 85.584 -11.804 6.797 1.00 0.00 N ATOM 244 NH2 ARG A 13 86.189 -13.420 8.259 1.00 0.00 N ATOM 0 H ARG A 13 81.349 -14.323 3.427 1.00 0.00 H new ATOM 0 HA ARG A 13 82.991 -11.868 3.157 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.636 -14.823 3.090 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.594 -13.733 2.107 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.637 -13.994 4.340 1.00 0.00 H new ATOM 0 HG3 ARG A 13 85.103 -12.340 4.121 1.00 0.00 H new ATOM 0 HD2 ARG A 13 83.385 -12.532 5.683 1.00 0.00 H new ATOM 0 HD3 ARG A 13 83.081 -14.216 5.305 1.00 0.00 H new ATOM 0 HE ARG A 13 84.609 -14.846 6.971 1.00 0.00 H new ATOM 0 HH11 ARG A 13 85.033 -11.503 5.993 1.00 0.00 H new ATOM 0 HH12 ARG A 13 86.210 -11.146 7.262 1.00 0.00 H new ATOM 0 HH21 ARG A 13 86.111 -14.379 8.597 1.00 0.00 H new ATOM 0 HH22 ARG A 13 86.815 -12.764 8.726 1.00 0.00 H new ATOM 258 N ALA A 14 82.695 -11.699 0.700 1.00 0.00 N ATOM 259 CA ALA A 14 82.367 -11.523 -0.706 1.00 0.00 C ATOM 260 C ALA A 14 82.775 -12.759 -1.495 1.00 0.00 C ATOM 261 O ALA A 14 83.669 -13.493 -1.075 1.00 0.00 O ATOM 262 CB ALA A 14 83.105 -10.304 -1.249 1.00 0.00 C ATOM 0 H ALA A 14 83.190 -10.914 1.124 1.00 0.00 H new ATOM 0 HA ALA A 14 81.292 -11.376 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.861 -10.170 -2.303 1.00 0.00 H new ATOM 0 HB2 ALA A 14 82.803 -9.418 -0.691 1.00 0.00 H new ATOM 0 HB3 ALA A 14 84.180 -10.452 -1.142 1.00 0.00 H new ATOM 268 N LYS A 15 82.118 -13.005 -2.629 1.00 0.00 N ATOM 269 CA LYS A 15 82.440 -14.178 -3.436 1.00 0.00 C ATOM 270 C LYS A 15 83.228 -13.795 -4.684 1.00 0.00 C ATOM 271 O LYS A 15 84.217 -14.444 -5.029 1.00 0.00 O ATOM 272 CB LYS A 15 81.139 -14.847 -3.870 1.00 0.00 C ATOM 273 CG LYS A 15 80.242 -15.068 -2.647 1.00 0.00 C ATOM 274 CD LYS A 15 79.149 -13.990 -2.574 1.00 0.00 C ATOM 275 CE LYS A 15 77.958 -14.410 -3.439 1.00 0.00 C ATOM 276 NZ LYS A 15 77.332 -15.633 -2.860 1.00 0.00 N ATOM 0 H LYS A 15 81.373 -12.418 -3.003 1.00 0.00 H new ATOM 0 HA LYS A 15 83.049 -14.853 -2.834 1.00 0.00 H new ATOM 0 HB2 LYS A 15 80.625 -14.225 -4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 15 81.352 -15.800 -4.354 1.00 0.00 H new ATOM 0 HG2 LYS A 15 79.783 -16.055 -2.700 1.00 0.00 H new ATOM 0 HG3 LYS A 15 80.844 -15.045 -1.739 1.00 0.00 H new ATOM 0 HD2 LYS A 15 78.830 -13.850 -1.541 1.00 0.00 H new ATOM 0 HD3 LYS A 15 79.543 -13.034 -2.919 1.00 0.00 H new ATOM 0 HE2 LYS A 15 77.227 -13.603 -3.488 1.00 0.00 H new ATOM 0 HE3 LYS A 15 78.287 -14.605 -4.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 76.317 -15.465 -2.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 77.458 -16.431 -3.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 77.784 -15.857 -1.951 1.00 0.00 H new ATOM 290 N LYS A 16 82.792 -12.741 -5.368 1.00 0.00 N ATOM 291 CA LYS A 16 83.479 -12.312 -6.584 1.00 0.00 C ATOM 292 C LYS A 16 83.515 -10.798 -6.669 1.00 0.00 C ATOM 293 O LYS A 16 83.074 -10.110 -5.763 1.00 0.00 O ATOM 294 CB LYS A 16 82.771 -12.864 -7.818 1.00 0.00 C ATOM 295 CG LYS A 16 83.804 -13.292 -8.866 1.00 0.00 C ATOM 296 CD LYS A 16 84.301 -14.704 -8.552 1.00 0.00 C ATOM 297 CE LYS A 16 85.245 -15.166 -9.659 1.00 0.00 C ATOM 298 NZ LYS A 16 85.652 -16.576 -9.401 1.00 0.00 N ATOM 0 H LYS A 16 81.982 -12.177 -5.109 1.00 0.00 H new ATOM 0 HA LYS A 16 84.499 -12.696 -6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.148 -13.714 -7.540 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.108 -12.107 -8.237 1.00 0.00 H new ATOM 0 HG2 LYS A 16 83.360 -13.265 -9.861 1.00 0.00 H new ATOM 0 HG3 LYS A 16 84.641 -12.594 -8.872 1.00 0.00 H new ATOM 0 HD2 LYS A 16 84.816 -14.715 -7.591 1.00 0.00 H new ATOM 0 HD3 LYS A 16 83.457 -15.389 -8.469 1.00 0.00 H new ATOM 0 HE2 LYS A 16 84.753 -15.089 -10.628 1.00 0.00 H new ATOM 0 HE3 LYS A 16 86.124 -14.522 -9.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 86.295 -16.895 -10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 86.137 -16.635 -8.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 84.808 -17.184 -9.387 1.00 0.00 H new ATOM 312 N TRP A 17 84.065 -10.273 -7.759 1.00 0.00 N ATOM 313 CA TRP A 17 84.164 -8.834 -7.909 1.00 0.00 C ATOM 314 C TRP A 17 82.937 -8.260 -8.611 1.00 0.00 C ATOM 315 O TRP A 17 82.640 -8.616 -9.753 1.00 0.00 O ATOM 316 CB TRP A 17 85.417 -8.479 -8.711 1.00 0.00 C ATOM 317 CG TRP A 17 85.581 -6.991 -8.786 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.069 -6.086 -7.905 1.00 0.00 C ATOM 319 CD2 TRP A 17 86.306 -6.214 -9.785 1.00 0.00 C ATOM 320 NE1 TRP A 17 85.430 -4.820 -8.303 1.00 0.00 N ATOM 321 CE2 TRP A 17 86.208 -4.845 -9.445 1.00 0.00 C ATOM 322 CE3 TRP A 17 87.036 -6.560 -10.942 1.00 0.00 C ATOM 323 CZ2 TRP A 17 86.821 -3.859 -10.214 1.00 0.00 C ATOM 324 CZ3 TRP A 17 87.644 -5.561 -11.721 1.00 0.00 C ATOM 325 CH2 TRP A 17 87.538 -4.217 -11.353 1.00 0.00 C ATOM 0 H TRP A 17 84.442 -10.815 -8.537 1.00 0.00 H new ATOM 0 HA TRP A 17 84.224 -8.399 -6.911 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.295 -8.926 -8.244 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.344 -8.895 -9.716 1.00 0.00 H new ATOM 0 HD1 TRP A 17 84.476 -6.324 -7.035 1.00 0.00 H new ATOM 0 HE1 TRP A 17 85.157 -3.967 -7.815 1.00 0.00 H new ATOM 0 HE3 TRP A 17 87.128 -7.597 -11.230 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 86.741 -2.821 -9.928 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 88.196 -5.833 -12.609 1.00 0.00 H new ATOM 0 HH2 TRP A 17 88.013 -3.455 -11.953 1.00 0.00 H new ATOM 336 N SER A 18 82.228 -7.370 -7.924 1.00 0.00 N ATOM 337 CA SER A 18 81.035 -6.755 -8.491 1.00 0.00 C ATOM 338 C SER A 18 80.722 -5.434 -7.794 1.00 0.00 C ATOM 339 O SER A 18 81.139 -5.203 -6.660 1.00 0.00 O ATOM 340 CB SER A 18 79.845 -7.699 -8.342 1.00 0.00 C ATOM 341 OG SER A 18 78.676 -7.072 -8.849 1.00 0.00 O ATOM 0 H SER A 18 82.458 -7.060 -6.980 1.00 0.00 H new ATOM 0 HA SER A 18 81.221 -6.559 -9.547 1.00 0.00 H new ATOM 0 HB2 SER A 18 80.035 -8.628 -8.880 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.704 -7.961 -7.293 1.00 0.00 H new ATOM 0 HG SER A 18 77.912 -7.679 -8.755 1.00 0.00 H new ATOM 347 N GLU A 19 79.993 -4.567 -8.486 1.00 0.00 N ATOM 348 CA GLU A 19 79.632 -3.263 -7.931 1.00 0.00 C ATOM 349 C GLU A 19 79.137 -3.422 -6.505 1.00 0.00 C ATOM 350 O GLU A 19 79.263 -2.508 -5.690 1.00 0.00 O ATOM 351 CB GLU A 19 78.533 -2.620 -8.788 1.00 0.00 C ATOM 352 CG GLU A 19 77.315 -3.543 -8.846 1.00 0.00 C ATOM 353 CD GLU A 19 76.311 -3.161 -7.762 1.00 0.00 C ATOM 354 OE1 GLU A 19 76.701 -2.478 -6.829 1.00 0.00 O ATOM 355 OE2 GLU A 19 75.163 -3.555 -7.885 1.00 0.00 O ATOM 0 H GLU A 19 79.641 -4.739 -9.428 1.00 0.00 H new ATOM 0 HA GLU A 19 80.514 -2.623 -7.933 1.00 0.00 H new ATOM 0 HB2 GLU A 19 78.250 -1.655 -8.368 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.907 -2.432 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.845 -3.475 -9.827 1.00 0.00 H new ATOM 0 HG3 GLU A 19 77.628 -4.579 -8.713 1.00 0.00 H new ATOM 362 N GLU A 20 78.584 -4.589 -6.204 1.00 0.00 N ATOM 363 CA GLU A 20 78.092 -4.845 -4.862 1.00 0.00 C ATOM 364 C GLU A 20 79.254 -4.886 -3.876 1.00 0.00 C ATOM 365 O GLU A 20 79.236 -4.221 -2.843 1.00 0.00 O ATOM 366 CB GLU A 20 77.338 -6.180 -4.835 1.00 0.00 C ATOM 367 CG GLU A 20 76.115 -6.087 -5.750 1.00 0.00 C ATOM 368 CD GLU A 20 75.098 -5.112 -5.165 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.212 -4.803 -3.991 1.00 0.00 O ATOM 370 OE2 GLU A 20 74.222 -4.691 -5.901 1.00 0.00 O ATOM 0 H GLU A 20 78.467 -5.361 -6.861 1.00 0.00 H new ATOM 0 HA GLU A 20 77.414 -4.042 -4.573 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.992 -6.987 -5.164 1.00 0.00 H new ATOM 0 HB3 GLU A 20 77.028 -6.416 -3.817 1.00 0.00 H new ATOM 0 HG2 GLU A 20 76.418 -5.756 -6.743 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.662 -7.072 -5.866 1.00 0.00 H new ATOM 377 N ILE A 21 80.276 -5.666 -4.211 1.00 0.00 N ATOM 378 CA ILE A 21 81.436 -5.786 -3.335 1.00 0.00 C ATOM 379 C ILE A 21 82.242 -4.507 -3.363 1.00 0.00 C ATOM 380 O ILE A 21 82.468 -3.886 -2.323 1.00 0.00 O ATOM 381 CB ILE A 21 82.313 -6.958 -3.769 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.439 -8.200 -3.967 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.383 -7.243 -2.710 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.539 -8.415 -2.751 1.00 0.00 C ATOM 0 H ILE A 21 80.326 -6.216 -5.068 1.00 0.00 H new ATOM 0 HA ILE A 21 81.085 -5.967 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 21 82.808 -6.704 -4.706 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.829 -8.085 -4.863 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.069 -9.076 -4.121 1.00 0.00 H new ATOM 0 HG21 ILE A 21 84.001 -8.081 -3.033 1.00 0.00 H new ATOM 0 HG22 ILE A 21 84.009 -6.360 -2.578 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.902 -7.491 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.924 -9.301 -2.906 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.155 -8.552 -1.862 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.896 -7.546 -2.616 1.00 0.00 H new ATOM 396 N GLU A 22 82.698 -4.122 -4.545 1.00 0.00 N ATOM 397 CA GLU A 22 83.508 -2.920 -4.665 1.00 0.00 C ATOM 398 C GLU A 22 82.907 -1.814 -3.818 1.00 0.00 C ATOM 399 O GLU A 22 83.604 -1.157 -3.052 1.00 0.00 O ATOM 400 CB GLU A 22 83.541 -2.484 -6.131 1.00 0.00 C ATOM 401 CG GLU A 22 84.360 -1.198 -6.306 1.00 0.00 C ATOM 402 CD GLU A 22 85.661 -1.271 -5.522 1.00 0.00 C ATOM 403 OE1 GLU A 22 85.616 -1.032 -4.324 1.00 0.00 O ATOM 404 OE2 GLU A 22 86.679 -1.556 -6.128 1.00 0.00 O ATOM 0 H GLU A 22 82.525 -4.615 -5.421 1.00 0.00 H new ATOM 0 HA GLU A 22 84.521 -3.124 -4.320 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.971 -3.279 -6.740 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.524 -2.323 -6.489 1.00 0.00 H new ATOM 0 HG2 GLU A 22 84.576 -1.041 -7.363 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.776 -0.342 -5.969 1.00 0.00 H new ATOM 411 N ASN A 23 81.613 -1.612 -3.957 1.00 0.00 N ATOM 412 CA ASN A 23 80.926 -0.581 -3.179 1.00 0.00 C ATOM 413 C ASN A 23 81.038 -0.867 -1.682 1.00 0.00 C ATOM 414 O ASN A 23 81.363 0.018 -0.891 1.00 0.00 O ATOM 415 CB ASN A 23 79.452 -0.548 -3.562 1.00 0.00 C ATOM 416 CG ASN A 23 78.697 0.329 -2.588 1.00 0.00 C ATOM 417 OD1 ASN A 23 78.371 1.465 -2.906 1.00 0.00 O ATOM 418 ND2 ASN A 23 78.404 -0.148 -1.409 1.00 0.00 N ATOM 0 H ASN A 23 81.014 -2.138 -4.593 1.00 0.00 H new ATOM 0 HA ASN A 23 81.395 0.379 -3.396 1.00 0.00 H new ATOM 0 HB2 ASN A 23 79.337 -0.166 -4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 23 79.040 -1.557 -3.553 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.896 0.428 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.683 -1.097 -1.159 1.00 0.00 H new ATOM 425 N LEU A 24 80.749 -2.110 -1.293 1.00 0.00 N ATOM 426 CA LEU A 24 80.801 -2.488 0.111 1.00 0.00 C ATOM 427 C LEU A 24 82.183 -2.206 0.669 1.00 0.00 C ATOM 428 O LEU A 24 82.316 -1.798 1.812 1.00 0.00 O ATOM 429 CB LEU A 24 80.452 -3.972 0.253 1.00 0.00 C ATOM 430 CG LEU A 24 78.935 -4.163 0.094 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.636 -5.629 -0.231 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.204 -3.792 1.398 1.00 0.00 C ATOM 0 H LEU A 24 80.480 -2.862 -1.927 1.00 0.00 H new ATOM 0 HA LEU A 24 80.076 -1.902 0.676 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.983 -4.554 -0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.775 -4.340 1.227 1.00 0.00 H new ATOM 0 HG LEU A 24 78.589 -3.516 -0.712 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.560 -5.765 -0.344 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.136 -5.905 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 24 78.999 -6.262 0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.131 -3.933 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.558 -4.430 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.405 -2.749 1.644 1.00 0.00 H new ATOM 444 N TYR A 25 83.201 -2.408 -0.148 1.00 0.00 N ATOM 445 CA TYR A 25 84.557 -2.130 0.281 1.00 0.00 C ATOM 446 C TYR A 25 84.688 -0.664 0.666 1.00 0.00 C ATOM 447 O TYR A 25 85.233 -0.337 1.718 1.00 0.00 O ATOM 448 CB TYR A 25 85.544 -2.465 -0.837 1.00 0.00 C ATOM 449 CG TYR A 25 86.909 -1.926 -0.487 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.643 -2.488 0.563 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.446 -0.864 -1.226 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.911 -1.986 0.875 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.712 -0.363 -0.914 1.00 0.00 C ATOM 454 CZ TYR A 25 89.446 -0.924 0.136 1.00 0.00 C ATOM 455 OH TYR A 25 90.696 -0.429 0.445 1.00 0.00 O ATOM 0 H TYR A 25 83.115 -2.760 -1.102 1.00 0.00 H new ATOM 0 HA TYR A 25 84.785 -2.749 1.149 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.594 -3.544 -0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.202 -2.034 -1.778 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.231 -3.308 1.132 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.880 -0.432 -2.038 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.478 -2.418 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.124 0.457 -1.483 1.00 0.00 H new ATOM 0 HH TYR A 25 90.917 0.305 -0.165 1.00 0.00 H new ATOM 465 N ARG A 26 84.184 0.218 -0.191 1.00 0.00 N ATOM 466 CA ARG A 26 84.259 1.650 0.073 1.00 0.00 C ATOM 467 C ARG A 26 83.512 1.996 1.361 1.00 0.00 C ATOM 468 O ARG A 26 84.046 2.678 2.233 1.00 0.00 O ATOM 469 CB ARG A 26 83.631 2.420 -1.089 1.00 0.00 C ATOM 470 CG ARG A 26 84.386 2.100 -2.379 1.00 0.00 C ATOM 471 CD ARG A 26 83.811 2.929 -3.527 1.00 0.00 C ATOM 472 NE ARG A 26 84.358 2.466 -4.801 1.00 0.00 N ATOM 473 CZ ARG A 26 84.321 3.232 -5.885 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.807 4.430 -5.820 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.799 2.787 -7.014 1.00 0.00 N ATOM 0 H ARG A 26 83.723 -0.031 -1.066 1.00 0.00 H new ATOM 0 HA ARG A 26 85.307 1.928 0.182 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.580 2.149 -1.193 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.666 3.491 -0.891 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.447 2.318 -2.255 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.303 1.037 -2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.724 2.847 -3.537 1.00 0.00 H new ATOM 0 HD3 ARG A 26 84.050 3.982 -3.381 1.00 0.00 H new ATOM 0 HE ARG A 26 84.776 1.537 -4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.434 4.778 -4.937 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.778 5.019 -6.653 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.201 1.851 -7.064 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.771 3.375 -7.847 1.00 0.00 H new ATOM 489 N PHE A 27 82.271 1.517 1.479 1.00 0.00 N ATOM 490 CA PHE A 27 81.473 1.787 2.674 1.00 0.00 C ATOM 491 C PHE A 27 82.126 1.167 3.911 1.00 0.00 C ATOM 492 O PHE A 27 82.275 1.823 4.944 1.00 0.00 O ATOM 493 CB PHE A 27 80.060 1.241 2.498 1.00 0.00 C ATOM 494 CG PHE A 27 79.210 2.264 1.781 1.00 0.00 C ATOM 495 CD1 PHE A 27 78.600 3.298 2.499 1.00 0.00 C ATOM 496 CD2 PHE A 27 79.009 2.168 0.406 1.00 0.00 C ATOM 497 CE1 PHE A 27 77.799 4.235 1.838 1.00 0.00 C ATOM 498 CE2 PHE A 27 78.201 3.102 -0.253 1.00 0.00 C ATOM 499 CZ PHE A 27 77.601 4.134 0.463 1.00 0.00 C ATOM 0 H PHE A 27 81.804 0.949 0.772 1.00 0.00 H new ATOM 0 HA PHE A 27 81.421 2.867 2.815 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.086 0.311 1.929 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.625 1.008 3.470 1.00 0.00 H new ATOM 0 HD1 PHE A 27 78.748 3.373 3.566 1.00 0.00 H new ATOM 0 HD2 PHE A 27 79.477 1.371 -0.153 1.00 0.00 H new ATOM 0 HE1 PHE A 27 77.334 5.036 2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 27 78.043 3.022 -1.318 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.982 4.857 -0.048 1.00 0.00 H new ATOM 509 N GLN A 28 82.504 -0.101 3.794 1.00 0.00 N ATOM 510 CA GLN A 28 83.134 -0.817 4.901 1.00 0.00 C ATOM 511 C GLN A 28 84.386 -0.090 5.354 1.00 0.00 C ATOM 512 O GLN A 28 84.631 0.046 6.551 1.00 0.00 O ATOM 513 CB GLN A 28 83.494 -2.242 4.470 1.00 0.00 C ATOM 514 CG GLN A 28 82.234 -3.111 4.413 1.00 0.00 C ATOM 515 CD GLN A 28 82.574 -4.468 3.809 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.718 -4.915 3.886 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.641 -5.156 3.214 1.00 0.00 N ATOM 0 H GLN A 28 82.386 -0.655 2.946 1.00 0.00 H new ATOM 0 HA GLN A 28 82.429 -0.861 5.731 1.00 0.00 H new ATOM 0 HB2 GLN A 28 83.976 -2.223 3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.210 -2.672 5.171 1.00 0.00 H new ATOM 0 HG2 GLN A 28 81.824 -3.240 5.415 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.467 -2.618 3.816 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.694 -4.783 3.152 1.00 0.00 H new ATOM 0 HE22 GLN A 28 81.858 -6.067 2.811 1.00 0.00 H new ATOM 526 N GLN A 29 85.162 0.404 4.401 1.00 0.00 N ATOM 527 CA GLN A 29 86.370 1.138 4.738 1.00 0.00 C ATOM 528 C GLN A 29 86.022 2.347 5.603 1.00 0.00 C ATOM 529 O GLN A 29 86.734 2.666 6.555 1.00 0.00 O ATOM 530 CB GLN A 29 87.066 1.592 3.451 1.00 0.00 C ATOM 531 CG GLN A 29 87.872 0.429 2.865 1.00 0.00 C ATOM 532 CD GLN A 29 89.117 0.194 3.713 1.00 0.00 C ATOM 533 OE1 GLN A 29 90.000 1.052 3.768 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.240 -0.916 4.383 1.00 0.00 N ATOM 0 H GLN A 29 84.980 0.312 3.402 1.00 0.00 H new ATOM 0 HA GLN A 29 87.042 0.490 5.300 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.327 1.936 2.728 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.724 2.435 3.660 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.261 -0.474 2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.156 0.652 1.837 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.507 -1.624 4.335 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.069 -1.077 4.955 1.00 0.00 H new ATOM 543 N ALA A 30 84.920 3.000 5.272 1.00 0.00 N ATOM 544 CA ALA A 30 84.477 4.162 6.033 1.00 0.00 C ATOM 545 C ALA A 30 83.965 3.726 7.406 1.00 0.00 C ATOM 546 O ALA A 30 83.799 4.546 8.310 1.00 0.00 O ATOM 547 CB ALA A 30 83.375 4.906 5.276 1.00 0.00 C ATOM 0 H ALA A 30 84.318 2.750 4.488 1.00 0.00 H new ATOM 0 HA ALA A 30 85.325 4.834 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.055 5.771 5.857 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.757 5.238 4.311 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.527 4.239 5.120 1.00 0.00 H new ATOM 553 N GLY A 31 83.717 2.423 7.552 1.00 0.00 N ATOM 554 CA GLY A 31 83.223 1.877 8.813 1.00 0.00 C ATOM 555 C GLY A 31 81.729 1.564 8.738 1.00 0.00 C ATOM 556 O GLY A 31 81.125 1.131 9.720 1.00 0.00 O ATOM 0 H GLY A 31 83.850 1.731 6.815 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.774 0.970 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.407 2.590 9.617 1.00 0.00 H new ATOM 560 N TYR A 32 81.133 1.795 7.574 1.00 0.00 N ATOM 561 CA TYR A 32 79.709 1.554 7.383 1.00 0.00 C ATOM 562 C TYR A 32 79.490 0.212 6.696 1.00 0.00 C ATOM 563 O TYR A 32 80.283 -0.205 5.859 1.00 0.00 O ATOM 564 CB TYR A 32 79.120 2.653 6.510 1.00 0.00 C ATOM 565 CG TYR A 32 79.336 4.002 7.171 1.00 0.00 C ATOM 566 CD1 TYR A 32 80.629 4.530 7.266 1.00 0.00 C ATOM 567 CD2 TYR A 32 78.255 4.720 7.689 1.00 0.00 C ATOM 568 CE1 TYR A 32 80.839 5.767 7.878 1.00 0.00 C ATOM 569 CE2 TYR A 32 78.467 5.963 8.297 1.00 0.00 C ATOM 570 CZ TYR A 32 79.759 6.485 8.391 1.00 0.00 C ATOM 571 OH TYR A 32 79.967 7.708 8.997 1.00 0.00 O ATOM 0 H TYR A 32 81.615 2.149 6.748 1.00 0.00 H new ATOM 0 HA TYR A 32 79.221 1.547 8.358 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.589 2.640 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.055 2.478 6.358 1.00 0.00 H new ATOM 0 HD1 TYR A 32 81.467 3.979 6.865 1.00 0.00 H new ATOM 0 HD2 TYR A 32 77.256 4.316 7.620 1.00 0.00 H new ATOM 0 HE1 TYR A 32 81.839 6.168 7.954 1.00 0.00 H new ATOM 0 HE2 TYR A 32 77.630 6.519 8.694 1.00 0.00 H new ATOM 0 HH TYR A 32 80.749 8.142 8.597 1.00 0.00 H new ATOM 581 N ARG A 33 78.407 -0.454 7.053 1.00 0.00 N ATOM 582 CA ARG A 33 78.094 -1.752 6.460 1.00 0.00 C ATOM 583 C ARG A 33 77.467 -1.572 5.081 1.00 0.00 C ATOM 584 O ARG A 33 77.733 -2.345 4.162 1.00 0.00 O ATOM 585 CB ARG A 33 77.134 -2.532 7.366 1.00 0.00 C ATOM 586 CG ARG A 33 76.265 -1.547 8.150 1.00 0.00 C ATOM 587 CD ARG A 33 76.963 -1.150 9.458 1.00 0.00 C ATOM 588 NE ARG A 33 78.408 -1.329 9.343 1.00 0.00 N ATOM 589 CZ ARG A 33 79.212 -1.136 10.380 1.00 0.00 C ATOM 590 NH1 ARG A 33 78.719 -0.770 11.528 1.00 0.00 N ATOM 591 NH2 ARG A 33 80.498 -1.317 10.246 1.00 0.00 N ATOM 0 H ARG A 33 77.732 -0.126 7.744 1.00 0.00 H new ATOM 0 HA ARG A 33 79.022 -2.314 6.355 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.506 -3.192 6.767 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.697 -3.164 8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.074 -0.659 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.297 -1.998 8.368 1.00 0.00 H new ATOM 0 HD2 ARG A 33 76.737 -0.111 9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.580 -1.756 10.279 1.00 0.00 H new ATOM 0 HE ARG A 33 78.807 -1.608 8.447 1.00 0.00 H new ATOM 0 HH11 ARG A 33 77.714 -0.631 11.630 1.00 0.00 H new ATOM 0 HH12 ARG A 33 79.338 -0.622 12.325 1.00 0.00 H new ATOM 0 HH21 ARG A 33 80.881 -1.606 9.346 1.00 0.00 H new ATOM 0 HH22 ARG A 33 81.119 -1.169 11.041 1.00 0.00 H new ATOM 605 N ASP A 34 76.631 -0.548 4.951 1.00 0.00 N ATOM 606 CA ASP A 34 75.962 -0.261 3.687 1.00 0.00 C ATOM 607 C ASP A 34 75.438 1.169 3.669 1.00 0.00 C ATOM 608 O ASP A 34 75.463 1.869 4.687 1.00 0.00 O ATOM 609 CB ASP A 34 74.802 -1.238 3.471 1.00 0.00 C ATOM 610 CG ASP A 34 74.195 -1.034 2.085 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.943 -0.729 1.172 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.990 -1.168 1.964 1.00 0.00 O ATOM 0 H ASP A 34 76.400 0.098 5.706 1.00 0.00 H new ATOM 0 HA ASP A 34 76.687 -0.379 2.882 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.156 -2.264 3.574 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.041 -1.085 4.236 1.00 0.00 H new ATOM 617 N GLU A 35 74.980 1.595 2.500 1.00 0.00 N ATOM 618 CA GLU A 35 74.467 2.946 2.345 1.00 0.00 C ATOM 619 C GLU A 35 73.448 3.248 3.434 1.00 0.00 C ATOM 620 O GLU A 35 73.238 4.402 3.795 1.00 0.00 O ATOM 621 CB GLU A 35 73.804 3.103 0.972 1.00 0.00 C ATOM 622 CG GLU A 35 72.613 2.146 0.863 1.00 0.00 C ATOM 623 CD GLU A 35 72.032 2.190 -0.547 1.00 0.00 C ATOM 624 OE1 GLU A 35 72.173 3.213 -1.195 1.00 0.00 O ATOM 625 OE2 GLU A 35 71.461 1.193 -0.962 1.00 0.00 O ATOM 0 H GLU A 35 74.954 1.029 1.652 1.00 0.00 H new ATOM 0 HA GLU A 35 75.300 3.645 2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 35 73.471 4.131 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 35 74.526 2.893 0.183 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.929 1.131 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.848 2.421 1.589 1.00 0.00 H new ATOM 632 N ILE A 36 72.812 2.205 3.957 1.00 0.00 N ATOM 633 CA ILE A 36 71.809 2.388 4.998 1.00 0.00 C ATOM 634 C ILE A 36 72.415 3.062 6.226 1.00 0.00 C ATOM 635 O ILE A 36 71.865 4.032 6.748 1.00 0.00 O ATOM 636 CB ILE A 36 71.245 1.025 5.405 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.432 0.443 4.245 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.339 1.188 6.626 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.123 -1.031 4.524 1.00 0.00 C ATOM 0 H ILE A 36 72.971 1.236 3.681 1.00 0.00 H new ATOM 0 HA ILE A 36 71.016 3.024 4.604 1.00 0.00 H new ATOM 0 HB ILE A 36 72.067 0.353 5.650 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.505 1.002 4.121 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.989 0.538 3.313 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.938 0.216 6.914 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.915 1.603 7.453 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.517 1.861 6.382 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.544 -1.444 3.698 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.056 -1.585 4.627 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.548 -1.114 5.447 1.00 0.00 H new ATOM 651 N GLU A 37 73.551 2.546 6.682 1.00 0.00 N ATOM 652 CA GLU A 37 74.222 3.109 7.850 1.00 0.00 C ATOM 653 C GLU A 37 74.691 4.527 7.562 1.00 0.00 C ATOM 654 O GLU A 37 74.587 5.413 8.412 1.00 0.00 O ATOM 655 CB GLU A 37 75.419 2.237 8.242 1.00 0.00 C ATOM 656 CG GLU A 37 75.978 2.701 9.592 1.00 0.00 C ATOM 657 CD GLU A 37 75.000 2.343 10.705 1.00 0.00 C ATOM 658 OE1 GLU A 37 75.112 1.250 11.238 1.00 0.00 O ATOM 659 OE2 GLU A 37 74.149 3.163 11.005 1.00 0.00 O ATOM 0 H GLU A 37 74.025 1.745 6.265 1.00 0.00 H new ATOM 0 HA GLU A 37 73.512 3.134 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.115 1.192 8.303 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.193 2.299 7.477 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.943 2.230 9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.147 3.778 9.576 1.00 0.00 H new ATOM 666 N TYR A 38 75.210 4.733 6.360 1.00 0.00 N ATOM 667 CA TYR A 38 75.698 6.048 5.964 1.00 0.00 C ATOM 668 C TYR A 38 74.594 7.086 6.012 1.00 0.00 C ATOM 669 O TYR A 38 74.784 8.182 6.541 1.00 0.00 O ATOM 670 CB TYR A 38 76.279 5.992 4.562 1.00 0.00 C ATOM 671 CG TYR A 38 76.556 7.398 4.072 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.580 8.155 4.652 1.00 0.00 C ATOM 673 CD2 TYR A 38 75.788 7.941 3.031 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.836 9.454 4.195 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.046 9.240 2.574 1.00 0.00 C ATOM 676 CZ TYR A 38 77.070 9.997 3.154 1.00 0.00 C ATOM 677 OH TYR A 38 77.322 11.278 2.707 1.00 0.00 O ATOM 0 H TYR A 38 75.304 4.012 5.645 1.00 0.00 H new ATOM 0 HA TYR A 38 76.475 6.338 6.671 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.199 5.408 4.562 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.583 5.491 3.889 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.173 7.738 5.452 1.00 0.00 H new ATOM 0 HD2 TYR A 38 74.998 7.358 2.582 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.625 10.038 4.645 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.454 9.658 1.773 1.00 0.00 H new ATOM 0 HH TYR A 38 76.702 11.499 1.981 1.00 0.00 H new ATOM 687 N LYS A 39 73.443 6.751 5.454 1.00 0.00 N ATOM 688 CA LYS A 39 72.321 7.674 5.433 1.00 0.00 C ATOM 689 C LYS A 39 71.867 8.033 6.844 1.00 0.00 C ATOM 690 O LYS A 39 71.514 9.177 7.114 1.00 0.00 O ATOM 691 CB LYS A 39 71.151 7.047 4.675 1.00 0.00 C ATOM 692 CG LYS A 39 71.471 6.987 3.180 1.00 0.00 C ATOM 693 CD LYS A 39 70.307 6.329 2.434 1.00 0.00 C ATOM 694 CE LYS A 39 70.611 6.304 0.933 1.00 0.00 C ATOM 695 NZ LYS A 39 69.472 5.678 0.205 1.00 0.00 N ATOM 0 H LYS A 39 73.261 5.850 5.011 1.00 0.00 H new ATOM 0 HA LYS A 39 72.648 8.586 4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 39 70.956 6.044 5.055 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.245 7.631 4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.643 7.992 2.794 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.388 6.421 3.016 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.153 5.314 2.802 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.385 6.879 2.620 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.777 7.318 0.568 1.00 0.00 H new ATOM 0 HE3 LYS A 39 71.527 5.744 0.746 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 69.679 5.661 -0.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.334 4.705 0.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 68.607 6.230 0.374 1.00 0.00 H new ATOM 709 N GLN A 40 71.874 7.052 7.734 1.00 0.00 N ATOM 710 CA GLN A 40 71.451 7.287 9.110 1.00 0.00 C ATOM 711 C GLN A 40 72.350 8.323 9.785 1.00 0.00 C ATOM 712 O GLN A 40 71.868 9.251 10.430 1.00 0.00 O ATOM 713 CB GLN A 40 71.505 5.974 9.893 1.00 0.00 C ATOM 714 CG GLN A 40 71.008 6.208 11.321 1.00 0.00 C ATOM 715 CD GLN A 40 70.942 4.886 12.072 1.00 0.00 C ATOM 716 OE1 GLN A 40 70.678 3.842 11.475 1.00 0.00 O ATOM 717 NE2 GLN A 40 71.171 4.867 13.357 1.00 0.00 N ATOM 0 H GLN A 40 72.164 6.095 7.533 1.00 0.00 H new ATOM 0 HA GLN A 40 70.430 7.669 9.099 1.00 0.00 H new ATOM 0 HB2 GLN A 40 70.890 5.220 9.402 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.525 5.591 9.910 1.00 0.00 H new ATOM 0 HG2 GLN A 40 71.675 6.897 11.839 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.023 6.674 11.300 1.00 0.00 H new ATOM 0 HE21 GLN A 40 71.389 5.733 13.849 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.131 3.986 13.869 1.00 0.00 H new ATOM 726 N VAL A 41 73.653 8.161 9.613 1.00 0.00 N ATOM 727 CA VAL A 41 74.611 9.086 10.211 1.00 0.00 C ATOM 728 C VAL A 41 74.426 10.493 9.664 1.00 0.00 C ATOM 729 O VAL A 41 74.500 11.471 10.408 1.00 0.00 O ATOM 730 CB VAL A 41 76.041 8.608 9.946 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.027 9.710 10.336 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.333 7.349 10.777 1.00 0.00 C ATOM 0 H VAL A 41 74.071 7.406 9.070 1.00 0.00 H new ATOM 0 HA VAL A 41 74.433 9.110 11.286 1.00 0.00 H new ATOM 0 HB VAL A 41 76.150 8.375 8.887 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.045 9.370 10.148 1.00 0.00 H new ATOM 0 HG12 VAL A 41 76.827 10.603 9.744 1.00 0.00 H new ATOM 0 HG13 VAL A 41 76.912 9.943 11.395 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.352 7.014 10.584 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.221 7.578 11.837 1.00 0.00 H new ATOM 0 HG23 VAL A 41 75.633 6.560 10.501 1.00 0.00 H new ATOM 742 N LYS A 42 74.194 10.593 8.368 1.00 0.00 N ATOM 743 CA LYS A 42 74.011 11.891 7.739 1.00 0.00 C ATOM 744 C LYS A 42 72.538 12.271 7.714 1.00 0.00 C ATOM 745 O LYS A 42 72.186 13.388 7.342 1.00 0.00 O ATOM 746 CB LYS A 42 74.556 11.846 6.315 1.00 0.00 C ATOM 747 CG LYS A 42 76.036 11.444 6.325 1.00 0.00 C ATOM 748 CD LYS A 42 76.886 12.567 6.931 1.00 0.00 C ATOM 749 CE LYS A 42 78.362 12.289 6.657 1.00 0.00 C ATOM 750 NZ LYS A 42 79.176 13.400 7.226 1.00 0.00 N ATOM 0 H LYS A 42 74.128 9.798 7.733 1.00 0.00 H new ATOM 0 HA LYS A 42 74.552 12.641 8.316 1.00 0.00 H new ATOM 0 HB2 LYS A 42 73.983 11.134 5.721 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.440 12.822 5.843 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.167 10.528 6.900 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.370 11.233 5.309 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.600 13.527 6.502 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.710 12.633 8.005 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.656 11.339 7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.537 12.204 5.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 79.989 13.588 6.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.591 14.257 7.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.518 13.131 8.171 1.00 0.00 H new ATOM 764 N GLN A 43 71.678 11.341 8.113 1.00 0.00 N ATOM 765 CA GLN A 43 70.245 11.610 8.124 1.00 0.00 C ATOM 766 C GLN A 43 69.778 12.148 6.774 1.00 0.00 C ATOM 767 O GLN A 43 69.092 13.169 6.709 1.00 0.00 O ATOM 768 CB GLN A 43 69.913 12.618 9.222 1.00 0.00 C ATOM 769 CG GLN A 43 70.281 12.027 10.586 1.00 0.00 C ATOM 770 CD GLN A 43 69.372 10.842 10.900 1.00 0.00 C ATOM 771 OE1 GLN A 43 68.262 10.754 10.372 1.00 0.00 O ATOM 772 NE2 GLN A 43 69.776 9.923 11.731 1.00 0.00 N ATOM 0 H GLN A 43 71.942 10.408 8.429 1.00 0.00 H new ATOM 0 HA GLN A 43 69.725 10.672 8.320 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.460 13.546 9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 43 68.852 12.865 9.195 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.323 11.707 10.584 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.182 12.788 11.360 1.00 0.00 H new ATOM 0 HE21 GLN A 43 70.695 9.998 12.167 1.00 0.00 H new ATOM 0 HE22 GLN A 43 69.173 9.129 11.946 1.00 0.00 H new ATOM 781 N VAL A 44 70.148 11.453 5.702 1.00 0.00 N ATOM 782 CA VAL A 44 69.758 11.865 4.355 1.00 0.00 C ATOM 783 C VAL A 44 69.145 10.692 3.598 1.00 0.00 C ATOM 784 O VAL A 44 68.918 9.623 4.166 1.00 0.00 O ATOM 785 CB VAL A 44 70.970 12.397 3.586 1.00 0.00 C ATOM 786 CG1 VAL A 44 71.571 13.587 4.335 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.015 11.291 3.470 1.00 0.00 C ATOM 0 H VAL A 44 70.715 10.606 5.738 1.00 0.00 H new ATOM 0 HA VAL A 44 69.017 12.659 4.442 1.00 0.00 H new ATOM 0 HB VAL A 44 70.659 12.716 2.591 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.434 13.964 3.786 1.00 0.00 H new ATOM 0 HG12 VAL A 44 70.824 14.376 4.424 1.00 0.00 H new ATOM 0 HG13 VAL A 44 71.884 13.270 5.330 1.00 0.00 H new ATOM 0 HG21 VAL A 44 72.881 11.664 2.923 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.324 10.976 4.467 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.588 10.441 2.937 1.00 0.00 H new ATOM 797 N ALA A 45 68.872 10.903 2.315 1.00 0.00 N ATOM 798 CA ALA A 45 68.275 9.859 1.489 1.00 0.00 C ATOM 799 C ALA A 45 68.916 9.828 0.106 1.00 0.00 C ATOM 800 O ALA A 45 68.258 9.509 -0.886 1.00 0.00 O ATOM 801 CB ALA A 45 66.774 10.106 1.354 1.00 0.00 C ATOM 0 H ALA A 45 69.053 11.780 1.827 1.00 0.00 H new ATOM 0 HA ALA A 45 68.447 8.897 1.971 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.331 9.325 0.737 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.313 10.093 2.342 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.605 11.077 0.887 1.00 0.00 H new ATOM 807 N MET A 46 70.198 10.162 0.045 1.00 0.00 N ATOM 808 CA MET A 46 70.918 10.171 -1.224 1.00 0.00 C ATOM 809 C MET A 46 72.423 10.152 -0.991 1.00 0.00 C ATOM 810 O MET A 46 72.907 10.666 0.018 1.00 0.00 O ATOM 811 CB MET A 46 70.532 11.417 -2.021 1.00 0.00 C ATOM 812 CG MET A 46 70.743 12.664 -1.155 1.00 0.00 C ATOM 813 SD MET A 46 70.561 14.152 -2.170 1.00 0.00 S ATOM 814 CE MET A 46 72.251 14.209 -2.815 1.00 0.00 C ATOM 0 H MET A 46 70.759 10.429 0.854 1.00 0.00 H new ATOM 0 HA MET A 46 70.646 9.278 -1.786 1.00 0.00 H new ATOM 0 HB2 MET A 46 71.135 11.484 -2.926 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.491 11.352 -2.336 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.020 12.678 -0.339 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.734 12.640 -0.702 1.00 0.00 H new ATOM 0 HE1 MET A 46 72.395 15.132 -3.376 1.00 0.00 H new ATOM 0 HE2 MET A 46 72.958 14.173 -1.986 1.00 0.00 H new ATOM 0 HE3 MET A 46 72.419 13.356 -3.472 1.00 0.00 H new ATOM 824 N VAL A 47 73.161 9.559 -1.927 1.00 0.00 N ATOM 825 CA VAL A 47 74.613 9.483 -1.807 1.00 0.00 C ATOM 826 C VAL A 47 75.271 9.986 -3.090 1.00 0.00 C ATOM 827 O VAL A 47 74.828 9.657 -4.189 1.00 0.00 O ATOM 828 CB VAL A 47 75.040 8.040 -1.540 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.509 8.013 -1.115 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.165 7.449 -0.435 1.00 0.00 C ATOM 0 H VAL A 47 72.781 9.128 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 47 74.931 10.110 -0.974 1.00 0.00 H new ATOM 0 HB VAL A 47 74.921 7.447 -2.447 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.814 6.984 -0.924 1.00 0.00 H new ATOM 0 HG12 VAL A 47 77.125 8.433 -1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.636 8.603 -0.207 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.468 6.420 -0.243 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.281 8.037 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.121 7.468 -0.748 1.00 0.00 H new ATOM 840 N ASP A 48 76.323 10.788 -2.941 1.00 0.00 N ATOM 841 CA ASP A 48 77.028 11.336 -4.098 1.00 0.00 C ATOM 842 C ASP A 48 77.678 10.220 -4.906 1.00 0.00 C ATOM 843 O ASP A 48 78.392 9.378 -4.360 1.00 0.00 O ATOM 844 CB ASP A 48 78.101 12.316 -3.631 1.00 0.00 C ATOM 845 CG ASP A 48 77.456 13.465 -2.862 1.00 0.00 C ATOM 846 OD1 ASP A 48 76.469 13.993 -3.346 1.00 0.00 O ATOM 847 OD2 ASP A 48 77.957 13.795 -1.800 1.00 0.00 O ATOM 0 H ASP A 48 76.704 11.071 -2.038 1.00 0.00 H new ATOM 0 HA ASP A 48 76.307 11.855 -4.730 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.823 11.803 -2.996 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.650 12.704 -4.489 1.00 0.00 H new ATOM 852 N ARG A 49 77.423 10.215 -6.210 1.00 0.00 N ATOM 853 CA ARG A 49 77.987 9.192 -7.084 1.00 0.00 C ATOM 854 C ARG A 49 78.345 9.782 -8.438 1.00 0.00 C ATOM 855 O ARG A 49 77.935 10.895 -8.762 1.00 0.00 O ATOM 856 CB ARG A 49 76.988 8.052 -7.278 1.00 0.00 C ATOM 857 CG ARG A 49 76.677 7.410 -5.925 1.00 0.00 C ATOM 858 CD ARG A 49 75.686 6.267 -6.116 1.00 0.00 C ATOM 859 NE ARG A 49 75.318 5.702 -4.823 1.00 0.00 N ATOM 860 CZ ARG A 49 76.069 4.774 -4.240 1.00 0.00 C ATOM 861 NH1 ARG A 49 77.156 4.352 -4.823 1.00 0.00 N ATOM 862 NH2 ARG A 49 75.719 4.285 -3.082 1.00 0.00 N ATOM 0 H ARG A 49 76.835 10.901 -6.682 1.00 0.00 H new ATOM 0 HA ARG A 49 78.891 8.806 -6.613 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.072 8.430 -7.732 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.398 7.307 -7.960 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.594 7.037 -5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 49 76.262 8.154 -5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 49 74.796 6.629 -6.630 1.00 0.00 H new ATOM 0 HD3 ARG A 49 76.126 5.495 -6.747 1.00 0.00 H new ATOM 0 HE ARG A 49 74.469 6.025 -4.358 1.00 0.00 H new ATOM 0 HH11 ARG A 49 77.431 4.734 -5.728 1.00 0.00 H new ATOM 0 HH12 ARG A 49 77.732 3.640 -4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 49 74.869 4.615 -2.625 1.00 0.00 H new ATOM 0 HH22 ARG A 49 76.295 3.572 -2.634 1.00 0.00 H new ATOM 876 N TRP A 50 79.114 9.037 -9.227 1.00 0.00 N ATOM 877 CA TRP A 50 79.505 9.525 -10.552 1.00 0.00 C ATOM 878 C TRP A 50 78.626 8.903 -11.645 1.00 0.00 C ATOM 879 O TRP A 50 78.271 7.736 -11.568 1.00 0.00 O ATOM 880 CB TRP A 50 80.963 9.188 -10.830 1.00 0.00 C ATOM 881 CG TRP A 50 81.822 9.910 -9.851 1.00 0.00 C ATOM 882 CD1 TRP A 50 82.096 9.485 -8.597 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.524 11.175 -10.025 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.924 10.415 -7.988 1.00 0.00 N ATOM 885 CE2 TRP A 50 83.215 11.472 -8.829 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.626 12.086 -11.095 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.983 12.627 -8.699 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.397 13.253 -10.964 1.00 0.00 C ATOM 889 CH2 TRP A 50 84.076 13.522 -9.768 1.00 0.00 C ATOM 0 H TRP A 50 79.473 8.114 -8.983 1.00 0.00 H new ATOM 0 HA TRP A 50 79.372 10.607 -10.563 1.00 0.00 H new ATOM 0 HB2 TRP A 50 81.123 8.113 -10.750 1.00 0.00 H new ATOM 0 HB3 TRP A 50 81.228 9.475 -11.847 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.731 8.574 -8.146 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.276 10.329 -7.034 1.00 0.00 H new ATOM 0 HE3 TRP A 50 82.108 11.886 -12.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.505 12.830 -7.775 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.467 13.946 -11.789 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.670 14.419 -9.673 1.00 0.00 H new ATOM 900 N PRO A 51 78.275 9.649 -12.659 1.00 0.00 N ATOM 901 CA PRO A 51 77.406 9.137 -13.765 1.00 0.00 C ATOM 902 C PRO A 51 78.077 8.036 -14.588 1.00 0.00 C ATOM 903 O PRO A 51 77.418 7.097 -15.036 1.00 0.00 O ATOM 904 CB PRO A 51 77.159 10.376 -14.627 1.00 0.00 C ATOM 905 CG PRO A 51 78.293 11.294 -14.324 1.00 0.00 C ATOM 906 CD PRO A 51 78.667 11.046 -12.874 1.00 0.00 C ATOM 0 HA PRO A 51 76.495 8.678 -13.380 1.00 0.00 H new ATOM 0 HB2 PRO A 51 77.132 10.120 -15.686 1.00 0.00 H new ATOM 0 HB3 PRO A 51 76.202 10.839 -14.386 1.00 0.00 H new ATOM 0 HG2 PRO A 51 79.139 11.097 -14.983 1.00 0.00 H new ATOM 0 HG3 PRO A 51 78.004 12.333 -14.478 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.733 11.196 -12.702 1.00 0.00 H new ATOM 0 HD3 PRO A 51 78.138 11.721 -12.201 1.00 0.00 H new ATOM 914 N GLU A 52 79.380 8.170 -14.784 1.00 0.00 N ATOM 915 CA GLU A 52 80.127 7.198 -15.575 1.00 0.00 C ATOM 916 C GLU A 52 79.671 5.781 -15.253 1.00 0.00 C ATOM 917 O GLU A 52 79.397 4.991 -16.156 1.00 0.00 O ATOM 918 CB GLU A 52 81.618 7.324 -15.271 1.00 0.00 C ATOM 919 CG GLU A 52 82.121 8.698 -15.709 1.00 0.00 C ATOM 920 CD GLU A 52 82.090 8.804 -17.228 1.00 0.00 C ATOM 921 OE1 GLU A 52 82.030 7.771 -17.873 1.00 0.00 O ATOM 922 OE2 GLU A 52 82.125 9.918 -17.724 1.00 0.00 O ATOM 0 H GLU A 52 79.941 8.936 -14.410 1.00 0.00 H new ATOM 0 HA GLU A 52 79.944 7.399 -16.631 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.794 7.185 -14.204 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.172 6.541 -15.790 1.00 0.00 H new ATOM 0 HG2 GLU A 52 81.501 9.479 -15.269 1.00 0.00 H new ATOM 0 HG3 GLU A 52 83.137 8.855 -15.346 1.00 0.00 H new ATOM 929 N THR A 53 79.585 5.468 -13.971 1.00 0.00 N ATOM 930 CA THR A 53 79.157 4.145 -13.551 1.00 0.00 C ATOM 931 C THR A 53 78.143 4.223 -12.408 1.00 0.00 C ATOM 932 O THR A 53 77.215 3.422 -12.340 1.00 0.00 O ATOM 933 CB THR A 53 80.361 3.356 -13.095 1.00 0.00 C ATOM 934 OG1 THR A 53 81.140 4.184 -12.260 1.00 0.00 O ATOM 935 CG2 THR A 53 81.198 2.911 -14.297 1.00 0.00 C ATOM 0 H THR A 53 79.804 6.108 -13.207 1.00 0.00 H new ATOM 0 HA THR A 53 78.678 3.655 -14.399 1.00 0.00 H new ATOM 0 HB THR A 53 80.033 2.466 -12.557 1.00 0.00 H new ATOM 0 HG1 THR A 53 80.976 3.950 -11.323 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.061 2.344 -13.949 1.00 0.00 H new ATOM 0 HG22 THR A 53 80.591 2.284 -14.951 1.00 0.00 H new ATOM 0 HG23 THR A 53 81.538 3.788 -14.848 1.00 0.00 H new ATOM 943 N GLY A 54 78.336 5.188 -11.508 1.00 0.00 N ATOM 944 CA GLY A 54 77.432 5.344 -10.369 1.00 0.00 C ATOM 945 C GLY A 54 78.033 4.783 -9.086 1.00 0.00 C ATOM 946 O GLY A 54 77.318 4.246 -8.246 1.00 0.00 O ATOM 0 H GLY A 54 79.099 5.864 -11.544 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.202 6.400 -10.230 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.490 4.837 -10.581 1.00 0.00 H new ATOM 950 N TYR A 55 79.349 4.912 -8.940 1.00 0.00 N ATOM 951 CA TYR A 55 80.018 4.430 -7.740 1.00 0.00 C ATOM 952 C TYR A 55 80.099 5.547 -6.711 1.00 0.00 C ATOM 953 O TYR A 55 79.869 6.718 -7.037 1.00 0.00 O ATOM 954 CB TYR A 55 81.425 3.930 -8.061 1.00 0.00 C ATOM 955 CG TYR A 55 81.333 2.688 -8.914 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.704 1.529 -8.432 1.00 0.00 C ATOM 957 CD2 TYR A 55 81.865 2.695 -10.199 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.613 0.394 -9.244 1.00 0.00 C ATOM 959 CE2 TYR A 55 81.771 1.561 -11.009 1.00 0.00 C ATOM 960 CZ TYR A 55 81.141 0.411 -10.531 1.00 0.00 C ATOM 961 OH TYR A 55 81.054 -0.713 -11.328 1.00 0.00 O ATOM 0 H TYR A 55 79.965 5.341 -9.630 1.00 0.00 H new ATOM 0 HA TYR A 55 79.438 3.599 -7.337 1.00 0.00 H new ATOM 0 HB2 TYR A 55 81.987 4.703 -8.585 1.00 0.00 H new ATOM 0 HB3 TYR A 55 81.965 3.712 -7.139 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.291 1.514 -7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.354 3.583 -10.573 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.132 -0.498 -8.871 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.186 1.574 -12.006 1.00 0.00 H new ATOM 0 HH TYR A 55 81.471 -0.532 -12.196 1.00 0.00 H new ATOM 971 N VAL A 56 80.412 5.179 -5.471 1.00 0.00 N ATOM 972 CA VAL A 56 80.498 6.156 -4.389 1.00 0.00 C ATOM 973 C VAL A 56 81.605 7.170 -4.653 1.00 0.00 C ATOM 974 O VAL A 56 82.778 6.814 -4.761 1.00 0.00 O ATOM 975 CB VAL A 56 80.789 5.445 -3.067 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.854 6.470 -1.933 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.685 4.437 -2.770 1.00 0.00 C ATOM 0 H VAL A 56 80.609 4.218 -5.192 1.00 0.00 H new ATOM 0 HA VAL A 56 79.543 6.678 -4.334 1.00 0.00 H new ATOM 0 HB VAL A 56 81.744 4.926 -3.145 1.00 0.00 H new ATOM 0 HG11 VAL A 56 81.062 5.959 -0.993 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.647 7.190 -2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.900 6.992 -1.859 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.897 3.933 -1.827 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.729 4.955 -2.698 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.639 3.701 -3.573 1.00 0.00 H new ATOM 987 N LYS A 57 81.221 8.438 -4.739 1.00 0.00 N ATOM 988 CA LYS A 57 82.187 9.504 -4.970 1.00 0.00 C ATOM 989 C LYS A 57 83.006 9.784 -3.716 1.00 0.00 C ATOM 990 O LYS A 57 84.234 9.843 -3.762 1.00 0.00 O ATOM 991 CB LYS A 57 81.460 10.781 -5.409 1.00 0.00 C ATOM 992 CG LYS A 57 82.428 11.969 -5.376 1.00 0.00 C ATOM 993 CD LYS A 57 81.787 13.175 -6.056 1.00 0.00 C ATOM 994 CE LYS A 57 82.637 14.418 -5.787 1.00 0.00 C ATOM 995 NZ LYS A 57 82.072 15.577 -6.529 1.00 0.00 N ATOM 0 H LYS A 57 80.254 8.751 -4.653 1.00 0.00 H new ATOM 0 HA LYS A 57 82.867 9.181 -5.758 1.00 0.00 H new ATOM 0 HB2 LYS A 57 81.060 10.655 -6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.613 10.972 -4.750 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.683 12.214 -4.345 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.358 11.707 -5.881 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.706 13.001 -7.129 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.775 13.324 -5.680 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.658 14.632 -4.719 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.667 14.241 -6.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.650 16.422 -6.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 82.074 15.371 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.097 15.750 -6.212 1.00 0.00 H new ATOM 1009 N LYS A 58 82.317 9.954 -2.600 1.00 0.00 N ATOM 1010 CA LYS A 58 82.988 10.230 -1.338 1.00 0.00 C ATOM 1011 C LYS A 58 82.184 9.680 -0.174 1.00 0.00 C ATOM 1012 O LYS A 58 80.966 9.541 -0.270 1.00 0.00 O ATOM 1013 CB LYS A 58 83.172 11.741 -1.168 1.00 0.00 C ATOM 1014 CG LYS A 58 81.807 12.436 -1.210 1.00 0.00 C ATOM 1015 CD LYS A 58 81.999 13.945 -1.057 1.00 0.00 C ATOM 1016 CE LYS A 58 80.640 14.643 -1.145 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.825 16.112 -0.978 1.00 0.00 N ATOM 0 H LYS A 58 81.300 9.906 -2.540 1.00 0.00 H new ATOM 0 HA LYS A 58 83.963 9.743 -1.350 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.669 11.952 -0.221 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.813 12.130 -1.959 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.304 12.216 -2.152 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.169 12.057 -0.412 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.473 14.167 -0.101 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.663 14.319 -1.836 1.00 0.00 H new ATOM 0 HE2 LYS A 58 80.172 14.431 -2.106 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.972 14.260 -0.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.902 16.587 -1.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 81.254 16.305 -0.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 81.448 16.471 -1.729 1.00 0.00 H new ATOM 1031 N LEU A 59 82.870 9.378 0.923 1.00 0.00 N ATOM 1032 CA LEU A 59 82.201 8.839 2.099 1.00 0.00 C ATOM 1033 C LEU A 59 82.956 9.224 3.372 1.00 0.00 C ATOM 1034 O LEU A 59 84.189 9.124 3.441 1.00 0.00 O ATOM 1035 CB LEU A 59 82.114 7.310 1.992 1.00 0.00 C ATOM 1036 CG LEU A 59 80.765 6.800 2.514 1.00 0.00 C ATOM 1037 CD1 LEU A 59 80.570 7.275 3.950 1.00 0.00 C ATOM 1038 CD2 LEU A 59 79.623 7.323 1.638 1.00 0.00 C ATOM 0 H LEU A 59 83.878 9.496 1.022 1.00 0.00 H new ATOM 0 HA LEU A 59 81.196 9.258 2.149 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.245 7.006 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 59 82.924 6.855 2.562 1.00 0.00 H new ATOM 0 HG LEU A 59 80.758 5.710 2.482 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.612 6.915 4.325 1.00 0.00 H new ATOM 0 HD12 LEU A 59 81.374 6.886 4.574 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.584 8.365 3.978 1.00 0.00 H new ATOM 0 HD21 LEU A 59 78.672 6.953 2.021 1.00 0.00 H new ATOM 0 HD22 LEU A 59 79.621 8.413 1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 59 79.762 6.976 0.614 1.00 0.00 H new ATOM 1050 N GLN A 60 82.206 9.656 4.378 1.00 0.00 N ATOM 1051 CA GLN A 60 82.802 10.046 5.649 1.00 0.00 C ATOM 1052 C GLN A 60 83.156 8.799 6.450 1.00 0.00 C ATOM 1053 O GLN A 60 82.375 7.854 6.511 1.00 0.00 O ATOM 1054 CB GLN A 60 81.826 10.900 6.458 1.00 0.00 C ATOM 1055 CG GLN A 60 82.575 11.559 7.614 1.00 0.00 C ATOM 1056 CD GLN A 60 81.581 12.143 8.610 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.446 11.673 8.701 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.937 13.144 9.368 1.00 0.00 N ATOM 0 H GLN A 60 81.191 9.745 4.339 1.00 0.00 H new ATOM 0 HA GLN A 60 83.701 10.628 5.448 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.375 11.660 5.821 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.014 10.282 6.840 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.213 10.827 8.110 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.228 12.345 7.235 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.877 13.532 9.292 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.275 13.538 10.037 1.00 0.00 H new ATOM 1067 N ARG A 61 84.340 8.804 7.047 1.00 0.00 N ATOM 1068 CA ARG A 61 84.800 7.660 7.829 1.00 0.00 C ATOM 1069 C ARG A 61 84.206 7.679 9.238 1.00 0.00 C ATOM 1070 O ARG A 61 83.553 8.641 9.640 1.00 0.00 O ATOM 1071 CB ARG A 61 86.327 7.659 7.921 1.00 0.00 C ATOM 1072 CG ARG A 61 86.925 7.617 6.513 1.00 0.00 C ATOM 1073 CD ARG A 61 88.383 7.152 6.584 1.00 0.00 C ATOM 1074 NE ARG A 61 89.169 8.073 7.396 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.389 7.750 7.814 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.903 6.592 7.497 1.00 0.00 N ATOM 1077 NH2 ARG A 61 91.074 8.590 8.543 1.00 0.00 N ATOM 0 H ARG A 61 84.998 9.582 7.007 1.00 0.00 H new ATOM 0 HA ARG A 61 84.465 6.755 7.322 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.670 8.550 8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.666 6.798 8.497 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.348 6.941 5.883 1.00 0.00 H new ATOM 0 HG3 ARG A 61 86.870 8.604 6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 61 88.432 6.149 7.009 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.802 7.093 5.580 1.00 0.00 H new ATOM 0 HE ARG A 61 88.776 8.980 7.648 1.00 0.00 H new ATOM 0 HH11 ARG A 61 90.368 5.935 6.929 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.839 6.344 7.818 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.673 9.494 8.792 1.00 0.00 H new ATOM 0 HH22 ARG A 61 92.010 8.342 8.863 1.00 0.00 H new ATOM 1091 N ARG A 62 84.443 6.599 9.961 1.00 0.00 N ATOM 1092 CA ARG A 62 83.939 6.486 11.327 1.00 0.00 C ATOM 1093 C ARG A 62 84.688 7.440 12.241 1.00 0.00 C ATOM 1094 O ARG A 62 84.295 7.660 13.386 1.00 0.00 O ATOM 1095 CB ARG A 62 84.081 5.056 11.846 1.00 0.00 C ATOM 1096 CG ARG A 62 82.735 4.327 11.772 1.00 0.00 C ATOM 1097 CD ARG A 62 81.863 4.722 12.972 1.00 0.00 C ATOM 1098 NE ARG A 62 80.604 3.992 12.935 1.00 0.00 N ATOM 1099 CZ ARG A 62 79.555 4.464 12.271 1.00 0.00 C ATOM 1100 NH1 ARG A 62 79.640 5.597 11.628 1.00 0.00 N ATOM 1101 NH2 ARG A 62 78.438 3.790 12.258 1.00 0.00 N ATOM 0 H ARG A 62 84.975 5.793 9.634 1.00 0.00 H new ATOM 0 HA ARG A 62 82.881 6.748 11.320 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.825 4.520 11.257 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.439 5.069 12.875 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.225 4.579 10.842 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.895 3.249 11.766 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.390 4.507 13.901 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.671 5.795 12.955 1.00 0.00 H new ATOM 0 HE ARG A 62 80.526 3.102 13.428 1.00 0.00 H new ATOM 0 HH11 ARG A 62 80.514 6.123 11.634 1.00 0.00 H new ATOM 0 HH12 ARG A 62 78.832 5.956 11.119 1.00 0.00 H new ATOM 0 HH21 ARG A 62 78.372 2.903 12.757 1.00 0.00 H new ATOM 0 HH22 ARG A 62 77.631 4.150 11.749 1.00 0.00 H new ATOM 1115 N ASP A 63 85.771 8.008 11.729 1.00 0.00 N ATOM 1116 CA ASP A 63 86.574 8.934 12.506 1.00 0.00 C ATOM 1117 C ASP A 63 86.196 10.368 12.199 1.00 0.00 C ATOM 1118 O ASP A 63 86.832 11.293 12.700 1.00 0.00 O ATOM 1119 CB ASP A 63 88.052 8.729 12.217 1.00 0.00 C ATOM 1120 CG ASP A 63 88.512 7.402 12.804 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.768 6.838 13.589 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.603 6.973 12.466 1.00 0.00 O ATOM 0 H ASP A 63 86.111 7.843 10.782 1.00 0.00 H new ATOM 0 HA ASP A 63 86.381 8.736 13.561 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.227 8.742 11.141 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.632 9.547 12.644 1.00 0.00 H new ATOM 1127 N ASN A 64 85.159 10.568 11.372 1.00 0.00 N ATOM 1128 CA ASN A 64 84.707 11.909 11.012 1.00 0.00 C ATOM 1129 C ASN A 64 85.584 12.495 9.913 1.00 0.00 C ATOM 1130 O ASN A 64 85.369 13.623 9.470 1.00 0.00 O ATOM 1131 CB ASN A 64 84.708 12.827 12.235 1.00 0.00 C ATOM 1132 CG ASN A 64 84.255 12.047 13.465 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.442 11.128 13.357 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.720 12.375 14.633 1.00 0.00 N ATOM 0 H ASN A 64 84.621 9.815 10.943 1.00 0.00 H new ATOM 0 HA ASN A 64 83.686 11.832 10.638 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.707 13.232 12.397 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.044 13.675 12.066 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.412 11.871 15.464 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.393 13.137 14.718 1.00 0.00 H new ATOM 1141 N THR A 65 86.566 11.720 9.470 1.00 0.00 N ATOM 1142 CA THR A 65 87.456 12.177 8.414 1.00 0.00 C ATOM 1143 C THR A 65 86.857 11.861 7.048 1.00 0.00 C ATOM 1144 O THR A 65 86.400 10.747 6.805 1.00 0.00 O ATOM 1145 CB THR A 65 88.820 11.495 8.553 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.631 10.108 8.805 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.593 12.125 9.712 1.00 0.00 C ATOM 0 H THR A 65 86.764 10.783 9.821 1.00 0.00 H new ATOM 0 HA THR A 65 87.583 13.256 8.502 1.00 0.00 H new ATOM 0 HB THR A 65 89.386 11.624 7.630 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.053 9.870 9.657 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.563 11.638 9.809 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.738 13.188 9.518 1.00 0.00 H new ATOM 0 HG23 THR A 65 89.029 11.999 10.636 1.00 0.00 H new ATOM 1155 N PHE A 66 86.861 12.848 6.157 1.00 0.00 N ATOM 1156 CA PHE A 66 86.308 12.653 4.821 1.00 0.00 C ATOM 1157 C PHE A 66 87.309 11.932 3.929 1.00 0.00 C ATOM 1158 O PHE A 66 88.485 12.292 3.894 1.00 0.00 O ATOM 1159 CB PHE A 66 85.960 14.008 4.203 1.00 0.00 C ATOM 1160 CG PHE A 66 84.776 14.602 4.928 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.477 14.319 4.494 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.980 15.437 6.034 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.379 14.869 5.164 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.880 15.986 6.706 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.581 15.703 6.271 1.00 0.00 C ATOM 0 H PHE A 66 87.236 13.780 6.332 1.00 0.00 H new ATOM 0 HA PHE A 66 85.407 12.045 4.904 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.815 14.680 4.269 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.729 13.889 3.144 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.321 13.675 3.641 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.983 15.657 6.368 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.376 14.651 4.828 1.00 0.00 H new ATOM 0 HE2 PHE A 66 84.035 16.628 7.560 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.734 16.128 6.789 1.00 0.00 H new ATOM 1175 N PHE A 67 86.842 10.911 3.212 1.00 0.00 N ATOM 1176 CA PHE A 67 87.717 10.151 2.327 1.00 0.00 C ATOM 1177 C PHE A 67 87.101 10.053 0.936 1.00 0.00 C ATOM 1178 O PHE A 67 86.004 9.515 0.767 1.00 0.00 O ATOM 1179 CB PHE A 67 87.935 8.747 2.893 1.00 0.00 C ATOM 1180 CG PHE A 67 89.207 8.169 2.322 1.00 0.00 C ATOM 1181 CD1 PHE A 67 90.432 8.436 2.945 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.166 7.369 1.174 1.00 0.00 C ATOM 1183 CE1 PHE A 67 91.616 7.905 2.423 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.351 6.837 0.651 1.00 0.00 C ATOM 1185 CZ PHE A 67 91.575 7.106 1.274 1.00 0.00 C ATOM 0 H PHE A 67 85.872 10.595 3.227 1.00 0.00 H new ATOM 0 HA PHE A 67 88.676 10.664 2.255 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.997 8.787 3.981 1.00 0.00 H new ATOM 0 HB3 PHE A 67 87.088 8.107 2.645 1.00 0.00 H new ATOM 0 HD1 PHE A 67 90.463 9.053 3.831 1.00 0.00 H new ATOM 0 HD2 PHE A 67 88.222 7.162 0.692 1.00 0.00 H new ATOM 0 HE1 PHE A 67 92.560 8.111 2.905 1.00 0.00 H new ATOM 0 HE2 PHE A 67 90.320 6.219 -0.234 1.00 0.00 H new ATOM 0 HZ PHE A 67 92.488 6.697 0.868 1.00 0.00 H new ATOM 1195 N TYR A 68 87.808 10.576 -0.059 1.00 0.00 N ATOM 1196 CA TYR A 68 87.316 10.544 -1.430 1.00 0.00 C ATOM 1197 C TYR A 68 87.619 9.196 -2.078 1.00 0.00 C ATOM 1198 O TYR A 68 88.720 8.662 -1.941 1.00 0.00 O ATOM 1199 CB TYR A 68 87.975 11.660 -2.245 1.00 0.00 C ATOM 1200 CG TYR A 68 87.553 13.002 -1.694 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.383 13.615 -2.158 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.335 13.633 -0.719 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.995 14.858 -1.646 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.947 14.876 -0.206 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.777 15.490 -0.671 1.00 0.00 C ATOM 1206 OH TYR A 68 86.394 16.716 -0.165 1.00 0.00 O ATOM 0 H TYR A 68 88.717 11.024 0.057 1.00 0.00 H new ATOM 0 HA TYR A 68 86.236 10.692 -1.412 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.060 11.563 -2.204 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.687 11.578 -3.293 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.780 13.129 -2.911 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.238 13.160 -0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.092 15.330 -2.003 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.549 15.361 0.548 1.00 0.00 H new ATOM 0 HH TYR A 68 87.047 17.013 0.503 1.00 0.00 H new ATOM 1216 N TYR A 69 86.632 8.658 -2.788 1.00 0.00 N ATOM 1217 CA TYR A 69 86.791 7.374 -3.465 1.00 0.00 C ATOM 1218 C TYR A 69 86.924 7.568 -4.969 1.00 0.00 C ATOM 1219 O TYR A 69 86.606 8.633 -5.498 1.00 0.00 O ATOM 1220 CB TYR A 69 85.594 6.465 -3.174 1.00 0.00 C ATOM 1221 CG TYR A 69 85.756 5.840 -1.809 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.552 4.698 -1.656 1.00 0.00 C ATOM 1223 CD2 TYR A 69 85.114 6.398 -0.699 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.705 4.114 -0.393 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.268 5.811 0.563 1.00 0.00 C ATOM 1226 CZ TYR A 69 86.062 4.671 0.717 1.00 0.00 C ATOM 1227 OH TYR A 69 86.210 4.097 1.961 1.00 0.00 O ATOM 0 H TYR A 69 85.716 9.089 -2.910 1.00 0.00 H new ATOM 0 HA TYR A 69 87.700 6.907 -3.087 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.669 7.040 -3.215 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.520 5.688 -3.935 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.048 4.267 -2.513 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.501 7.280 -0.815 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.319 3.234 -0.276 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.771 6.241 1.420 1.00 0.00 H new ATOM 0 HH TYR A 69 85.331 3.837 2.308 1.00 0.00 H new ATOM 1237 N ASN A 70 87.400 6.535 -5.653 1.00 0.00 N ATOM 1238 CA ASN A 70 87.575 6.606 -7.097 1.00 0.00 C ATOM 1239 C ASN A 70 86.380 5.987 -7.820 1.00 0.00 C ATOM 1240 O ASN A 70 85.929 4.896 -7.477 1.00 0.00 O ATOM 1241 CB ASN A 70 88.857 5.870 -7.498 1.00 0.00 C ATOM 1242 CG ASN A 70 88.521 4.522 -8.127 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.829 4.286 -9.291 1.00 0.00 O ATOM 1244 ND2 ASN A 70 87.903 3.612 -7.427 1.00 0.00 N ATOM 0 H ASN A 70 87.670 5.645 -5.235 1.00 0.00 H new ATOM 0 HA ASN A 70 87.648 7.655 -7.385 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.426 6.476 -8.203 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.489 5.722 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 70 87.678 2.710 -7.848 1.00 0.00 H new ATOM 0 HD22 ASN A 70 87.644 3.802 -6.459 1.00 0.00 H new ATOM 1251 N LYS A 71 85.873 6.688 -8.822 1.00 0.00 N ATOM 1252 CA LYS A 71 84.744 6.184 -9.589 1.00 0.00 C ATOM 1253 C LYS A 71 85.177 5.019 -10.478 1.00 0.00 C ATOM 1254 O LYS A 71 84.367 4.216 -10.914 1.00 0.00 O ATOM 1255 CB LYS A 71 84.162 7.303 -10.453 1.00 0.00 C ATOM 1256 CG LYS A 71 85.214 7.803 -11.452 1.00 0.00 C ATOM 1257 CD LYS A 71 84.516 8.446 -12.644 1.00 0.00 C ATOM 1258 CE LYS A 71 85.574 8.902 -13.644 1.00 0.00 C ATOM 1259 NZ LYS A 71 85.027 10.003 -14.481 1.00 0.00 N ATOM 0 H LYS A 71 86.221 7.599 -9.121 1.00 0.00 H new ATOM 0 HA LYS A 71 83.983 5.830 -8.894 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.285 6.940 -10.989 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.831 8.126 -9.820 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.874 8.525 -10.971 1.00 0.00 H new ATOM 0 HG3 LYS A 71 85.837 6.974 -11.786 1.00 0.00 H new ATOM 0 HD2 LYS A 71 83.836 7.735 -13.112 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.915 9.294 -12.317 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.466 9.241 -13.116 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.876 8.067 -14.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.007 9.705 -15.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.062 10.230 -14.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 85.629 10.845 -14.384 1.00 0.00 H new ATOM 1273 N GLU A 72 86.469 4.946 -10.755 1.00 0.00 N ATOM 1274 CA GLU A 72 86.978 3.887 -11.605 1.00 0.00 C ATOM 1275 C GLU A 72 86.930 2.561 -10.865 1.00 0.00 C ATOM 1276 O GLU A 72 87.094 2.513 -9.644 1.00 0.00 O ATOM 1277 CB GLU A 72 88.415 4.203 -12.040 1.00 0.00 C ATOM 1278 CG GLU A 72 88.431 4.648 -13.501 1.00 0.00 C ATOM 1279 CD GLU A 72 87.580 5.902 -13.672 1.00 0.00 C ATOM 1280 OE1 GLU A 72 87.863 6.880 -13.001 1.00 0.00 O ATOM 1281 OE2 GLU A 72 86.659 5.862 -14.472 1.00 0.00 O ATOM 0 H GLU A 72 87.173 5.597 -10.409 1.00 0.00 H new ATOM 0 HA GLU A 72 86.353 3.815 -12.495 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.831 4.987 -11.408 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.045 3.322 -11.912 1.00 0.00 H new ATOM 0 HG2 GLU A 72 89.455 4.847 -13.818 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.049 3.850 -14.137 1.00 0.00 H new ATOM 1365 N LYS A 78 91.656 -9.974 -5.151 1.00 0.00 N ATOM 1366 CA LYS A 78 92.406 -9.731 -3.928 1.00 0.00 C ATOM 1367 C LYS A 78 91.536 -9.001 -2.906 1.00 0.00 C ATOM 1368 O LYS A 78 91.632 -9.242 -1.695 1.00 0.00 O ATOM 1369 CB LYS A 78 93.647 -8.896 -4.236 1.00 0.00 C ATOM 1370 CG LYS A 78 93.222 -7.549 -4.836 1.00 0.00 C ATOM 1371 CD LYS A 78 93.327 -6.447 -3.778 1.00 0.00 C ATOM 1372 CE LYS A 78 94.782 -5.993 -3.652 1.00 0.00 C ATOM 1373 NZ LYS A 78 95.018 -5.462 -2.281 1.00 0.00 N ATOM 0 HA LYS A 78 92.711 -10.691 -3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.225 -8.735 -3.326 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.293 -9.429 -4.933 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.855 -7.306 -5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 78 92.199 -7.613 -5.206 1.00 0.00 H new ATOM 0 HD2 LYS A 78 92.695 -5.603 -4.054 1.00 0.00 H new ATOM 0 HD3 LYS A 78 92.966 -6.815 -2.818 1.00 0.00 H new ATOM 0 HE2 LYS A 78 95.454 -6.828 -3.851 1.00 0.00 H new ATOM 0 HE3 LYS A 78 95.000 -5.225 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 96.007 -5.153 -2.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 94.386 -4.654 -2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 94.826 -6.208 -1.582 1.00 0.00 H new ATOM 1387 N GLU A 79 90.668 -8.114 -3.395 1.00 0.00 N ATOM 1388 CA GLU A 79 89.790 -7.365 -2.513 1.00 0.00 C ATOM 1389 C GLU A 79 88.589 -8.220 -2.136 1.00 0.00 C ATOM 1390 O GLU A 79 88.125 -8.191 -1.006 1.00 0.00 O ATOM 1391 CB GLU A 79 89.320 -6.082 -3.215 1.00 0.00 C ATOM 1392 CG GLU A 79 89.388 -4.907 -2.237 1.00 0.00 C ATOM 1393 CD GLU A 79 90.822 -4.395 -2.133 1.00 0.00 C ATOM 1394 OE1 GLU A 79 91.556 -4.912 -1.306 1.00 0.00 O ATOM 1395 OE2 GLU A 79 91.165 -3.495 -2.881 1.00 0.00 O ATOM 0 H GLU A 79 90.559 -7.902 -4.387 1.00 0.00 H new ATOM 0 HA GLU A 79 90.334 -7.096 -1.608 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.946 -5.881 -4.085 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.300 -6.207 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU A 79 88.731 -4.105 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 79 89.033 -5.220 -1.255 1.00 0.00 H new ATOM 1402 N VAL A 80 88.097 -8.993 -3.086 1.00 0.00 N ATOM 1403 CA VAL A 80 86.954 -9.856 -2.815 1.00 0.00 C ATOM 1404 C VAL A 80 87.267 -10.812 -1.665 1.00 0.00 C ATOM 1405 O VAL A 80 86.405 -11.101 -0.831 1.00 0.00 O ATOM 1406 CB VAL A 80 86.608 -10.662 -4.057 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.550 -11.719 -3.720 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.063 -9.723 -5.131 1.00 0.00 C ATOM 0 H VAL A 80 88.461 -9.044 -4.038 1.00 0.00 H new ATOM 0 HA VAL A 80 86.107 -9.229 -2.537 1.00 0.00 H new ATOM 0 HB VAL A 80 87.506 -11.161 -4.422 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.309 -12.291 -4.616 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.938 -12.391 -2.954 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.650 -11.228 -3.350 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.814 -10.297 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.168 -9.224 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.818 -8.977 -5.379 1.00 0.00 H new ATOM 1418 N HIS A 81 88.488 -11.319 -1.635 1.00 0.00 N ATOM 1419 CA HIS A 81 88.885 -12.268 -0.594 1.00 0.00 C ATOM 1420 C HIS A 81 89.022 -11.596 0.773 1.00 0.00 C ATOM 1421 O HIS A 81 88.592 -12.148 1.783 1.00 0.00 O ATOM 1422 CB HIS A 81 90.225 -12.885 -0.960 1.00 0.00 C ATOM 1423 CG HIS A 81 90.096 -13.665 -2.239 1.00 0.00 C ATOM 1424 ND1 HIS A 81 91.201 -14.118 -2.938 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.002 -14.065 -2.964 1.00 0.00 C ATOM 1426 CE1 HIS A 81 90.754 -14.758 -4.032 1.00 0.00 C ATOM 1427 NE2 HIS A 81 89.421 -14.756 -4.095 1.00 0.00 N ATOM 0 H HIS A 81 89.219 -11.096 -2.310 1.00 0.00 H new ATOM 0 HA HIS A 81 88.106 -13.027 -0.529 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.976 -12.103 -1.074 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.566 -13.539 -0.157 1.00 0.00 H new ATOM 0 HD2 HIS A 81 87.973 -13.873 -2.697 1.00 0.00 H new ATOM 0 HE1 HIS A 81 91.395 -15.218 -4.770 1.00 0.00 H new ATOM 0 HE2 HIS A 81 88.835 -15.173 -4.818 1.00 0.00 H new ATOM 1435 N LYS A 82 89.633 -10.413 0.804 1.00 0.00 N ATOM 1436 CA LYS A 82 89.828 -9.707 2.067 1.00 0.00 C ATOM 1437 C LYS A 82 88.573 -8.925 2.463 1.00 0.00 C ATOM 1438 O LYS A 82 88.385 -8.586 3.628 1.00 0.00 O ATOM 1439 CB LYS A 82 91.019 -8.764 1.946 1.00 0.00 C ATOM 1440 CG LYS A 82 90.662 -7.605 1.019 1.00 0.00 C ATOM 1441 CD LYS A 82 90.420 -6.331 1.826 1.00 0.00 C ATOM 1442 CE LYS A 82 91.764 -5.702 2.180 1.00 0.00 C ATOM 1443 NZ LYS A 82 91.619 -4.890 3.417 1.00 0.00 N ATOM 0 H LYS A 82 89.996 -9.930 -0.018 1.00 0.00 H new ATOM 0 HA LYS A 82 90.024 -10.442 2.847 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.296 -8.384 2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.883 -9.302 1.556 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.468 -7.442 0.304 1.00 0.00 H new ATOM 0 HG3 LYS A 82 89.770 -7.853 0.443 1.00 0.00 H new ATOM 0 HD2 LYS A 82 89.817 -5.630 1.250 1.00 0.00 H new ATOM 0 HD3 LYS A 82 89.862 -6.561 2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.514 -6.479 2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.112 -5.075 1.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.535 -4.460 3.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 90.916 -4.140 3.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.305 -5.501 4.198 1.00 0.00 H new ATOM 1457 N VAL A 83 87.726 -8.644 1.479 1.00 0.00 N ATOM 1458 CA VAL A 83 86.495 -7.901 1.729 1.00 0.00 C ATOM 1459 C VAL A 83 85.454 -8.766 2.426 1.00 0.00 C ATOM 1460 O VAL A 83 85.159 -9.886 1.999 1.00 0.00 O ATOM 1461 CB VAL A 83 85.927 -7.375 0.415 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.504 -6.873 0.639 1.00 0.00 C ATOM 1463 CG2 VAL A 83 86.789 -6.212 -0.069 1.00 0.00 C ATOM 0 H VAL A 83 87.867 -8.917 0.506 1.00 0.00 H new ATOM 0 HA VAL A 83 86.738 -7.065 2.385 1.00 0.00 H new ATOM 0 HB VAL A 83 85.922 -8.175 -0.326 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.099 -6.497 -0.300 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.882 -7.692 1.001 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.513 -6.071 1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.390 -5.830 -1.008 1.00 0.00 H new ATOM 0 HG22 VAL A 83 86.782 -5.418 0.678 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.812 -6.556 -0.223 1.00 0.00 H new ATOM 1473 N LYS A 84 84.879 -8.231 3.502 1.00 0.00 N ATOM 1474 CA LYS A 84 83.857 -8.953 4.247 1.00 0.00 C ATOM 1475 C LYS A 84 82.525 -8.225 4.144 1.00 0.00 C ATOM 1476 O LYS A 84 82.450 -7.025 4.398 1.00 0.00 O ATOM 1477 CB LYS A 84 84.274 -9.080 5.711 1.00 0.00 C ATOM 1478 CG LYS A 84 84.111 -7.735 6.409 1.00 0.00 C ATOM 1479 CD LYS A 84 84.869 -7.768 7.734 1.00 0.00 C ATOM 1480 CE LYS A 84 84.317 -6.688 8.661 1.00 0.00 C ATOM 1481 NZ LYS A 84 84.556 -5.344 8.063 1.00 0.00 N ATOM 0 H LYS A 84 85.103 -7.308 3.873 1.00 0.00 H new ATOM 0 HA LYS A 84 83.746 -9.951 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.665 -9.835 6.208 1.00 0.00 H new ATOM 0 HB3 LYS A 84 85.310 -9.412 5.777 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.493 -6.934 5.776 1.00 0.00 H new ATOM 0 HG3 LYS A 84 83.055 -7.527 6.584 1.00 0.00 H new ATOM 0 HD2 LYS A 84 84.768 -8.749 8.199 1.00 0.00 H new ATOM 0 HD3 LYS A 84 85.933 -7.605 7.561 1.00 0.00 H new ATOM 0 HE2 LYS A 84 83.250 -6.842 8.820 1.00 0.00 H new ATOM 0 HE3 LYS A 84 84.797 -6.753 9.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 84.352 -4.608 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 85.549 -5.270 7.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 83.934 -5.215 7.240 1.00 0.00 H new ATOM 1495 N VAL A 85 81.478 -8.953 3.762 1.00 0.00 N ATOM 1496 CA VAL A 85 80.158 -8.349 3.607 1.00 0.00 C ATOM 1497 C VAL A 85 79.218 -8.798 4.722 1.00 0.00 C ATOM 1498 O VAL A 85 79.103 -9.988 5.011 1.00 0.00 O ATOM 1499 CB VAL A 85 79.566 -8.747 2.258 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.287 -7.948 2.001 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.580 -8.469 1.150 1.00 0.00 C ATOM 0 H VAL A 85 81.517 -9.951 3.556 1.00 0.00 H new ATOM 0 HA VAL A 85 80.270 -7.266 3.660 1.00 0.00 H new ATOM 0 HB VAL A 85 79.328 -9.811 2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.867 -8.234 1.037 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.563 -8.157 2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.519 -6.883 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.155 -8.754 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.824 -7.407 1.138 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.486 -9.047 1.332 1.00 0.00 H new ATOM 1511 N TYR A 86 78.548 -7.838 5.347 1.00 0.00 N ATOM 1512 CA TYR A 86 77.625 -8.155 6.431 1.00 0.00 C ATOM 1513 C TYR A 86 76.261 -8.561 5.886 1.00 0.00 C ATOM 1514 O TYR A 86 75.912 -8.219 4.755 1.00 0.00 O ATOM 1515 CB TYR A 86 77.468 -6.949 7.355 1.00 0.00 C ATOM 1516 CG TYR A 86 76.358 -6.068 6.844 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.345 -5.659 5.507 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.335 -5.670 7.707 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.310 -4.847 5.034 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.298 -4.858 7.236 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.285 -4.446 5.899 1.00 0.00 C ATOM 1522 OH TYR A 86 73.264 -3.643 5.434 1.00 0.00 O ATOM 0 H TYR A 86 78.624 -6.845 5.126 1.00 0.00 H new ATOM 0 HA TYR A 86 78.038 -8.993 6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.246 -7.281 8.369 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.401 -6.388 7.400 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.135 -5.970 4.839 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.344 -5.989 8.739 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.301 -4.529 4.002 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.508 -4.549 7.904 1.00 0.00 H new ATOM 0 HH TYR A 86 72.635 -3.459 6.163 1.00 0.00 H new ATOM 1532 N VAL A 87 75.491 -9.292 6.696 1.00 0.00 N ATOM 1533 CA VAL A 87 74.166 -9.736 6.278 1.00 0.00 C ATOM 1534 C VAL A 87 73.124 -9.333 7.317 1.00 0.00 C ATOM 1535 O VAL A 87 73.301 -9.560 8.520 1.00 0.00 O ATOM 1536 CB VAL A 87 74.147 -11.258 6.100 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.047 -11.935 7.467 1.00 0.00 C ATOM 1538 CG2 VAL A 87 72.945 -11.656 5.243 1.00 0.00 C ATOM 0 H VAL A 87 75.762 -9.585 7.635 1.00 0.00 H new ATOM 0 HA VAL A 87 73.928 -9.261 5.326 1.00 0.00 H new ATOM 0 HB VAL A 87 75.066 -11.576 5.607 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.034 -13.017 7.337 1.00 0.00 H new ATOM 0 HG12 VAL A 87 74.906 -11.653 8.076 1.00 0.00 H new ATOM 0 HG13 VAL A 87 73.130 -11.618 7.964 1.00 0.00 H new ATOM 0 HG21 VAL A 87 72.931 -12.738 5.116 1.00 0.00 H new ATOM 0 HG22 VAL A 87 72.026 -11.336 5.734 1.00 0.00 H new ATOM 0 HG23 VAL A 87 73.020 -11.177 4.267 1.00 0.00 H new ATOM 1548 N TYR A 88 72.036 -8.731 6.843 1.00 0.00 N ATOM 1549 CA TYR A 88 70.967 -8.293 7.731 1.00 0.00 C ATOM 1550 C TYR A 88 70.389 -9.479 8.489 1.00 0.00 C ATOM 1551 O TYR A 88 70.949 -10.556 8.375 1.00 0.00 O ATOM 1552 CB TYR A 88 69.861 -7.615 6.919 1.00 0.00 C ATOM 1553 CG TYR A 88 68.977 -8.667 6.292 1.00 0.00 C ATOM 1554 CD1 TYR A 88 69.443 -9.411 5.204 1.00 0.00 C ATOM 1555 CD2 TYR A 88 67.695 -8.902 6.804 1.00 0.00 C ATOM 1556 CE1 TYR A 88 68.627 -10.390 4.623 1.00 0.00 C ATOM 1557 CE2 TYR A 88 66.878 -9.880 6.224 1.00 0.00 C ATOM 1558 CZ TYR A 88 67.345 -10.625 5.132 1.00 0.00 C ATOM 1559 OH TYR A 88 66.539 -11.587 4.558 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.396 -9.294 9.173 1.00 0.00 O ATOM 0 H TYR A 88 71.873 -8.537 5.855 1.00 0.00 H new ATOM 0 HA TYR A 88 71.379 -7.582 8.447 1.00 0.00 H new ATOM 0 HB2 TYR A 88 69.269 -6.965 7.563 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.298 -6.984 6.145 1.00 0.00 H new ATOM 0 HD1 TYR A 88 70.433 -9.231 4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 88 67.336 -8.329 7.646 1.00 0.00 H new ATOM 0 HE1 TYR A 88 68.987 -10.964 3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 88 65.889 -10.060 6.618 1.00 0.00 H new ATOM 0 HH TYR A 88 65.683 -11.622 5.033 1.00 0.00 H new