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 Single : A 10 SER OG : rot 32:sc= 0.109 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 152:sc= -0.0976 (180deg=-0.652) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.799 USER MOD Single : A 23 ASN :FLIP amide:sc= -3.57! C(o=-7.3!,f=-3.6!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -2.43 F(o=-3.2!,f=-2.4) USER MOD Single : A 29 GLN : amide:sc= -0.289 X(o=-0.29,f=-0.59) USER MOD Single : A 32 TYR OH : rot 159:sc= 1.22 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= -0.0482 K(o=-0.048,f=-2.2!) USER MOD Single : A 42 LYS NZ :NH3+ 153:sc= -0.0493 (180deg=-0.372) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 115:sc= 0.385 USER MOD Single : A 55 TYR OH : rot -107:sc= 0.00371 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 60 GLN : amide:sc= -1.01 K(o=-1,f=-3.4!) USER MOD Single : A 64 ASN : amide:sc= -1.51! C(o=-1.5!,f=-2.5!) USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.602 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -101:sc= 0.977 USER MOD Single : A 70 ASN : amide:sc= -2.86! C(o=-2.9!,f=-8.9!) USER MOD Single : A 71 LYS NZ :NH3+ -162:sc= -0.016 (180deg=-0.315) 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=-0.076) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 154:sc= -0.109 (180deg=-0.695) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.528 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 73.783 -11.632 9.662 1.00 0.00 N ATOM 194 CA SER A 10 74.919 -12.526 9.487 1.00 0.00 C ATOM 195 C SER A 10 75.970 -11.881 8.590 1.00 0.00 C ATOM 196 O SER A 10 75.695 -10.896 7.906 1.00 0.00 O ATOM 197 CB SER A 10 74.461 -13.849 8.875 1.00 0.00 C ATOM 198 OG SER A 10 73.489 -14.447 9.725 1.00 0.00 O ATOM 0 HA SER A 10 75.359 -12.719 10.465 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.039 -13.678 7.884 1.00 0.00 H new ATOM 0 HB3 SER A 10 75.312 -14.519 8.748 1.00 0.00 H new ATOM 0 HG SER A 10 72.968 -13.746 10.170 1.00 0.00 H new ATOM 204 N ILE A 11 77.178 -12.439 8.599 1.00 0.00 N ATOM 205 CA ILE A 11 78.266 -11.913 7.777 1.00 0.00 C ATOM 206 C ILE A 11 78.780 -12.995 6.833 1.00 0.00 C ATOM 207 O ILE A 11 79.072 -14.112 7.259 1.00 0.00 O ATOM 208 CB ILE A 11 79.407 -11.424 8.668 1.00 0.00 C ATOM 209 CG1 ILE A 11 78.882 -10.356 9.627 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.538 -10.856 7.803 1.00 0.00 C ATOM 211 CD1 ILE A 11 78.441 -9.130 8.855 1.00 0.00 C ATOM 0 H ILE A 11 77.428 -13.251 9.163 1.00 0.00 H new ATOM 0 HA ILE A 11 77.887 -11.077 7.189 1.00 0.00 H new ATOM 0 HB ILE A 11 79.800 -12.259 9.248 1.00 0.00 H new ATOM 0 HG12 ILE A 11 78.045 -10.753 10.202 1.00 0.00 H new ATOM 0 HG13 ILE A 11 79.659 -10.085 10.341 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.348 -10.509 8.445 1.00 0.00 H new ATOM 0 HG22 ILE A 11 80.911 -11.633 7.136 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.160 -10.021 7.213 1.00 0.00 H new ATOM 0 HD11 ILE A 11 78.069 -8.377 9.550 1.00 0.00 H new ATOM 0 HD12 ILE A 11 79.288 -8.725 8.300 1.00 0.00 H new ATOM 0 HD13 ILE A 11 77.648 -9.404 8.159 1.00 0.00 H new ATOM 223 N SER A 12 78.883 -12.653 5.552 1.00 0.00 N ATOM 224 CA SER A 12 79.356 -13.593 4.541 1.00 0.00 C ATOM 225 C SER A 12 80.564 -13.025 3.806 1.00 0.00 C ATOM 226 O SER A 12 80.941 -11.871 4.013 1.00 0.00 O ATOM 227 CB SER A 12 78.240 -13.893 3.542 1.00 0.00 C ATOM 228 OG SER A 12 77.159 -14.521 4.219 1.00 0.00 O ATOM 0 H SER A 12 78.645 -11.730 5.189 1.00 0.00 H new ATOM 0 HA SER A 12 79.651 -14.516 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 12 77.902 -12.971 3.070 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.612 -14.540 2.748 1.00 0.00 H new ATOM 0 HG SER A 12 76.441 -14.713 3.581 1.00 0.00 H new ATOM 234 N ARG A 13 81.163 -13.842 2.947 1.00 0.00 N ATOM 235 CA ARG A 13 82.328 -13.414 2.179 1.00 0.00 C ATOM 236 C ARG A 13 81.992 -13.340 0.695 1.00 0.00 C ATOM 237 O ARG A 13 81.463 -14.289 0.117 1.00 0.00 O ATOM 238 CB ARG A 13 83.476 -14.401 2.396 1.00 0.00 C ATOM 239 CG ARG A 13 84.135 -14.135 3.752 1.00 0.00 C ATOM 240 CD ARG A 13 85.256 -13.108 3.587 1.00 0.00 C ATOM 241 NE ARG A 13 86.275 -13.621 2.677 1.00 0.00 N ATOM 242 CZ ARG A 13 87.226 -14.445 3.104 1.00 0.00 C ATOM 243 NH1 ARG A 13 87.264 -14.806 4.357 1.00 0.00 N ATOM 244 NH2 ARG A 13 88.124 -14.890 2.268 1.00 0.00 N ATOM 0 H ARG A 13 80.864 -14.800 2.765 1.00 0.00 H new ATOM 0 HA ARG A 13 82.627 -12.423 2.520 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.101 -15.424 2.357 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.211 -14.300 1.597 1.00 0.00 H new ATOM 0 HG2 ARG A 13 83.394 -13.768 4.462 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.536 -15.063 4.161 1.00 0.00 H new ATOM 0 HD2 ARG A 13 84.850 -12.173 3.201 1.00 0.00 H new ATOM 0 HD3 ARG A 13 85.702 -12.885 4.556 1.00 0.00 H new ATOM 0 HE ARG A 13 86.257 -13.342 1.696 1.00 0.00 H new ATOM 0 HH11 ARG A 13 86.563 -14.456 5.010 1.00 0.00 H new ATOM 0 HH12 ARG A 13 87.994 -15.439 4.684 1.00 0.00 H new ATOM 0 HH21 ARG A 13 88.095 -14.605 1.289 1.00 0.00 H new ATOM 0 HH22 ARG A 13 88.855 -15.523 2.594 1.00 0.00 H new ATOM 258 N ALA A 14 82.304 -12.204 0.084 1.00 0.00 N ATOM 259 CA ALA A 14 82.032 -12.007 -1.333 1.00 0.00 C ATOM 260 C ALA A 14 82.753 -13.054 -2.169 1.00 0.00 C ATOM 261 O ALA A 14 83.793 -13.573 -1.765 1.00 0.00 O ATOM 262 CB ALA A 14 82.482 -10.614 -1.753 1.00 0.00 C ATOM 0 H ALA A 14 82.744 -11.408 0.546 1.00 0.00 H new ATOM 0 HA ALA A 14 80.960 -12.109 -1.499 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.277 -10.470 -2.814 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.940 -9.866 -1.174 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.552 -10.507 -1.572 1.00 0.00 H new ATOM 268 N LYS A 15 82.187 -13.375 -3.330 1.00 0.00 N ATOM 269 CA LYS A 15 82.786 -14.377 -4.202 1.00 0.00 C ATOM 270 C LYS A 15 83.583 -13.719 -5.324 1.00 0.00 C ATOM 271 O LYS A 15 84.676 -14.169 -5.667 1.00 0.00 O ATOM 272 CB LYS A 15 81.686 -15.246 -4.811 1.00 0.00 C ATOM 273 CG LYS A 15 80.765 -15.773 -3.706 1.00 0.00 C ATOM 274 CD LYS A 15 81.570 -16.635 -2.732 1.00 0.00 C ATOM 275 CE LYS A 15 80.620 -17.523 -1.931 1.00 0.00 C ATOM 276 NZ LYS A 15 80.035 -18.558 -2.828 1.00 0.00 N ATOM 0 H LYS A 15 81.325 -12.961 -3.684 1.00 0.00 H new ATOM 0 HA LYS A 15 83.463 -14.989 -3.606 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.109 -14.666 -5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.129 -16.080 -5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 15 80.305 -14.940 -3.175 1.00 0.00 H new ATOM 0 HG3 LYS A 15 79.956 -16.359 -4.142 1.00 0.00 H new ATOM 0 HD2 LYS A 15 82.285 -17.250 -3.279 1.00 0.00 H new ATOM 0 HD3 LYS A 15 82.146 -16.000 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 15 81.155 -17.999 -1.109 1.00 0.00 H new ATOM 0 HE3 LYS A 15 79.827 -16.920 -1.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 79.796 -19.404 -2.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 79.174 -18.183 -3.275 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 80.726 -18.810 -3.564 1.00 0.00 H new ATOM 290 N LYS A 16 83.026 -12.657 -5.895 1.00 0.00 N ATOM 291 CA LYS A 16 83.696 -11.954 -6.981 1.00 0.00 C ATOM 292 C LYS A 16 83.389 -10.460 -6.915 1.00 0.00 C ATOM 293 O LYS A 16 82.317 -10.054 -6.467 1.00 0.00 O ATOM 294 CB LYS A 16 83.248 -12.522 -8.329 1.00 0.00 C ATOM 295 CG LYS A 16 84.103 -11.923 -9.448 1.00 0.00 C ATOM 296 CD LYS A 16 83.752 -12.602 -10.775 1.00 0.00 C ATOM 297 CE LYS A 16 84.615 -12.012 -11.892 1.00 0.00 C ATOM 298 NZ LYS A 16 84.316 -12.714 -13.172 1.00 0.00 N ATOM 0 H LYS A 16 82.122 -12.268 -5.627 1.00 0.00 H new ATOM 0 HA LYS A 16 84.772 -12.095 -6.877 1.00 0.00 H new ATOM 0 HB2 LYS A 16 83.342 -13.608 -8.327 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.196 -12.294 -8.500 1.00 0.00 H new ATOM 0 HG2 LYS A 16 83.929 -10.849 -9.519 1.00 0.00 H new ATOM 0 HG3 LYS A 16 85.161 -12.060 -9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 16 83.918 -13.677 -10.701 1.00 0.00 H new ATOM 0 HD3 LYS A 16 82.696 -12.458 -11.002 1.00 0.00 H new ATOM 0 HE2 LYS A 16 84.417 -10.945 -11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 16 85.671 -12.118 -11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 84.902 -12.314 -13.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 84.526 -13.727 -13.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 83.311 -12.591 -13.409 1.00 0.00 H new ATOM 312 N TRP A 17 84.349 -9.649 -7.349 1.00 0.00 N ATOM 313 CA TRP A 17 84.186 -8.199 -7.323 1.00 0.00 C ATOM 314 C TRP A 17 82.946 -7.773 -8.090 1.00 0.00 C ATOM 315 O TRP A 17 82.668 -8.280 -9.175 1.00 0.00 O ATOM 316 CB TRP A 17 85.418 -7.521 -7.920 1.00 0.00 C ATOM 317 CG TRP A 17 85.172 -6.050 -8.013 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.178 -5.189 -6.968 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.903 -5.247 -9.200 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.922 -3.919 -7.437 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.746 -3.900 -8.803 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.777 -5.556 -10.566 1.00 0.00 C ATOM 323 CZ2 TRP A 17 84.473 -2.892 -9.727 1.00 0.00 C ATOM 324 CZ3 TRP A 17 84.505 -4.545 -11.501 1.00 0.00 C ATOM 325 CH2 TRP A 17 84.352 -3.214 -11.081 1.00 0.00 C ATOM 0 H TRP A 17 85.243 -9.969 -7.721 1.00 0.00 H new ATOM 0 HA TRP A 17 84.070 -7.892 -6.283 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.292 -7.717 -7.300 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.630 -7.930 -8.908 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.355 -5.454 -5.936 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.869 -3.091 -6.843 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.890 -6.578 -10.898 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 84.356 -1.870 -9.398 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 84.413 -4.792 -12.548 1.00 0.00 H new ATOM 0 HH2 TRP A 17 84.141 -2.440 -11.804 1.00 0.00 H new ATOM 336 N SER A 18 82.206 -6.834 -7.513 1.00 0.00 N ATOM 337 CA SER A 18 80.996 -6.336 -8.152 1.00 0.00 C ATOM 338 C SER A 18 80.508 -5.069 -7.458 1.00 0.00 C ATOM 339 O SER A 18 80.937 -4.753 -6.348 1.00 0.00 O ATOM 340 CB SER A 18 79.900 -7.401 -8.117 1.00 0.00 C ATOM 341 OG SER A 18 79.406 -7.542 -6.794 1.00 0.00 O ATOM 0 H SER A 18 82.420 -6.406 -6.612 1.00 0.00 H new ATOM 0 HA SER A 18 81.229 -6.101 -9.190 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.089 -7.123 -8.790 1.00 0.00 H new ATOM 0 HB3 SER A 18 80.295 -8.353 -8.471 1.00 0.00 H new ATOM 0 HG SER A 18 78.703 -8.224 -6.778 1.00 0.00 H new ATOM 347 N GLU A 19 79.613 -4.346 -8.120 1.00 0.00 N ATOM 348 CA GLU A 19 79.083 -3.116 -7.553 1.00 0.00 C ATOM 349 C GLU A 19 78.709 -3.320 -6.093 1.00 0.00 C ATOM 350 O GLU A 19 78.880 -2.421 -5.264 1.00 0.00 O ATOM 351 CB GLU A 19 77.848 -2.670 -8.348 1.00 0.00 C ATOM 352 CG GLU A 19 76.873 -3.843 -8.462 1.00 0.00 C ATOM 353 CD GLU A 19 75.657 -3.439 -9.291 1.00 0.00 C ATOM 354 OE1 GLU A 19 74.930 -2.563 -8.853 1.00 0.00 O ATOM 355 OE2 GLU A 19 75.469 -4.014 -10.352 1.00 0.00 O ATOM 0 H GLU A 19 79.243 -4.588 -9.039 1.00 0.00 H new ATOM 0 HA GLU A 19 79.851 -2.345 -7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.366 -1.828 -7.852 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.143 -2.329 -9.340 1.00 0.00 H new ATOM 0 HG2 GLU A 19 77.371 -4.695 -8.925 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.556 -4.160 -7.468 1.00 0.00 H new ATOM 362 N GLU A 20 78.219 -4.511 -5.774 1.00 0.00 N ATOM 363 CA GLU A 20 77.843 -4.813 -4.403 1.00 0.00 C ATOM 364 C GLU A 20 79.072 -4.809 -3.496 1.00 0.00 C ATOM 365 O GLU A 20 79.064 -4.207 -2.431 1.00 0.00 O ATOM 366 CB GLU A 20 77.154 -6.182 -4.341 1.00 0.00 C ATOM 367 CG GLU A 20 76.726 -6.497 -2.902 1.00 0.00 C ATOM 368 CD GLU A 20 75.705 -5.469 -2.427 1.00 0.00 C ATOM 369 OE1 GLU A 20 75.087 -4.842 -3.273 1.00 0.00 O ATOM 370 OE2 GLU A 20 75.555 -5.321 -1.225 1.00 0.00 O ATOM 0 H GLU A 20 78.075 -5.273 -6.437 1.00 0.00 H new ATOM 0 HA GLU A 20 77.152 -4.045 -4.055 1.00 0.00 H new ATOM 0 HB2 GLU A 20 76.283 -6.189 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU A 20 77.832 -6.955 -4.704 1.00 0.00 H new ATOM 0 HG2 GLU A 20 76.297 -7.498 -2.852 1.00 0.00 H new ATOM 0 HG3 GLU A 20 77.596 -6.489 -2.245 1.00 0.00 H new ATOM 377 N ILE A 21 80.122 -5.495 -3.928 1.00 0.00 N ATOM 378 CA ILE A 21 81.338 -5.575 -3.126 1.00 0.00 C ATOM 379 C ILE A 21 81.996 -4.215 -3.058 1.00 0.00 C ATOM 380 O ILE A 21 82.203 -3.676 -1.965 1.00 0.00 O ATOM 381 CB ILE A 21 82.307 -6.598 -3.731 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.512 -7.799 -4.251 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.310 -7.074 -2.674 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.505 -8.267 -3.196 1.00 0.00 C ATOM 0 H ILE A 21 80.159 -5.997 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 21 81.076 -5.897 -2.118 1.00 0.00 H new ATOM 0 HB ILE A 21 82.853 -6.128 -4.549 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.989 -7.528 -5.168 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.192 -8.613 -4.501 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.991 -7.800 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.880 -6.222 -2.303 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.774 -7.539 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.947 -9.121 -3.579 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.036 -8.558 -2.290 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.814 -7.456 -2.967 1.00 0.00 H new ATOM 396 N GLU A 22 82.319 -3.665 -4.219 1.00 0.00 N ATOM 397 CA GLU A 22 82.962 -2.362 -4.278 1.00 0.00 C ATOM 398 C GLU A 22 82.388 -1.450 -3.208 1.00 0.00 C ATOM 399 O GLU A 22 83.126 -0.779 -2.493 1.00 0.00 O ATOM 400 CB GLU A 22 82.730 -1.740 -5.664 1.00 0.00 C ATOM 401 CG GLU A 22 82.805 -0.211 -5.583 1.00 0.00 C ATOM 402 CD GLU A 22 81.456 0.360 -5.149 1.00 0.00 C ATOM 403 OE1 GLU A 22 80.443 -0.138 -5.616 1.00 0.00 O ATOM 404 OE2 GLU A 22 81.451 1.277 -4.346 1.00 0.00 O ATOM 0 H GLU A 22 82.148 -4.097 -5.127 1.00 0.00 H new ATOM 0 HA GLU A 22 84.031 -2.482 -4.105 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.477 -2.110 -6.366 1.00 0.00 H new ATOM 0 HB3 GLU A 22 81.756 -2.043 -6.047 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.579 0.086 -4.875 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.087 0.199 -6.553 1.00 0.00 H new ATOM 411 N ASN A 23 81.067 -1.433 -3.104 1.00 0.00 N ATOM 412 CA ASN A 23 80.408 -0.598 -2.112 1.00 0.00 C ATOM 413 C ASN A 23 80.787 -1.019 -0.699 1.00 0.00 C ATOM 414 O ASN A 23 81.125 -0.188 0.137 1.00 0.00 O ATOM 415 CB ASN A 23 78.895 -0.708 -2.272 1.00 0.00 C ATOM 416 CG ASN A 23 78.202 -0.053 -1.088 1.00 0.00 C ATOM 417 OD1 ASN A 23 78.095 -0.719 0.027 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 77.758 1.091 -1.176 1.00 0.00 N flip ATOM 0 H ASN A 23 80.436 -1.982 -3.688 1.00 0.00 H new ATOM 0 HA ASN A 23 80.731 0.431 -2.270 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.582 -0.228 -3.199 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.603 -1.756 -2.342 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.846 1.606 -2.052 1.00 0.00 H new ATOM 0 HD22 ASN A 23 77.302 1.524 -0.373 1.00 0.00 H new ATOM 425 N LEU A 24 80.719 -2.314 -0.434 1.00 0.00 N ATOM 426 CA LEU A 24 81.033 -2.818 0.895 1.00 0.00 C ATOM 427 C LEU A 24 82.413 -2.361 1.329 1.00 0.00 C ATOM 428 O LEU A 24 82.587 -1.877 2.441 1.00 0.00 O ATOM 429 CB LEU A 24 80.973 -4.346 0.909 1.00 0.00 C ATOM 430 CG LEU A 24 79.629 -4.820 1.468 1.00 0.00 C ATOM 431 CD1 LEU A 24 79.538 -4.493 2.962 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.490 -4.118 0.728 1.00 0.00 C ATOM 0 H LEU A 24 80.453 -3.028 -1.112 1.00 0.00 H new ATOM 0 HA LEU A 24 80.295 -2.421 1.592 1.00 0.00 H new ATOM 0 HB2 LEU A 24 81.111 -4.731 -0.101 1.00 0.00 H new ATOM 0 HB3 LEU A 24 81.787 -4.743 1.515 1.00 0.00 H new ATOM 0 HG LEU A 24 79.548 -5.898 1.330 1.00 0.00 H new ATOM 0 HD11 LEU A 24 78.579 -4.834 3.351 1.00 0.00 H new ATOM 0 HD12 LEU A 24 80.345 -4.996 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.626 -3.416 3.105 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.534 -4.456 1.127 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.578 -3.040 0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.545 -4.356 -0.334 1.00 0.00 H new ATOM 444 N TYR A 25 83.390 -2.504 0.448 1.00 0.00 N ATOM 445 CA TYR A 25 84.745 -2.090 0.767 1.00 0.00 C ATOM 446 C TYR A 25 84.784 -0.607 1.107 1.00 0.00 C ATOM 447 O TYR A 25 85.355 -0.213 2.118 1.00 0.00 O ATOM 448 CB TYR A 25 85.661 -2.369 -0.422 1.00 0.00 C ATOM 449 CG TYR A 25 87.010 -1.733 -0.183 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.893 -2.287 0.750 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.380 -0.589 -0.901 1.00 0.00 C ATOM 452 CE1 TYR A 25 89.144 -1.699 0.967 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.630 0.001 -0.683 1.00 0.00 C ATOM 454 CZ TYR A 25 89.512 -0.554 0.251 1.00 0.00 C ATOM 455 OH TYR A 25 90.744 0.028 0.467 1.00 0.00 O ATOM 0 H TYR A 25 83.272 -2.900 -0.485 1.00 0.00 H new ATOM 0 HA TYR A 25 85.088 -2.656 1.633 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.774 -3.444 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.218 -1.973 -1.336 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.609 -3.170 1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.700 -0.162 -1.623 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.825 -2.128 1.687 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.914 0.884 -1.235 1.00 0.00 H new ATOM 0 HH TYR A 25 90.841 0.813 -0.112 1.00 0.00 H new ATOM 465 N ARG A 26 84.186 0.211 0.254 1.00 0.00 N ATOM 466 CA ARG A 26 84.186 1.648 0.490 1.00 0.00 C ATOM 467 C ARG A 26 83.523 1.973 1.823 1.00 0.00 C ATOM 468 O ARG A 26 84.053 2.750 2.618 1.00 0.00 O ATOM 469 CB ARG A 26 83.428 2.356 -0.636 1.00 0.00 C ATOM 470 CG ARG A 26 84.218 2.248 -1.943 1.00 0.00 C ATOM 471 CD ARG A 26 83.581 3.146 -3.004 1.00 0.00 C ATOM 472 NE ARG A 26 84.224 2.931 -4.295 1.00 0.00 N ATOM 473 CZ ARG A 26 84.045 3.778 -5.301 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.297 4.834 -5.140 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.618 3.555 -6.450 1.00 0.00 N ATOM 0 H ARG A 26 83.703 -0.087 -0.593 1.00 0.00 H new ATOM 0 HA ARG A 26 85.219 1.994 0.515 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.441 1.909 -0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.274 3.404 -0.380 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.255 2.542 -1.778 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.231 1.214 -2.287 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.515 2.932 -3.080 1.00 0.00 H new ATOM 0 HD3 ARG A 26 83.676 4.192 -2.711 1.00 0.00 H new ATOM 0 HE ARG A 26 84.822 2.115 -4.427 1.00 0.00 H new ATOM 0 HH11 ARG A 26 82.849 5.009 -4.241 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.160 5.485 -5.914 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.204 2.730 -6.576 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.481 4.206 -7.223 1.00 0.00 H new ATOM 489 N PHE A 27 82.355 1.387 2.068 1.00 0.00 N ATOM 490 CA PHE A 27 81.637 1.638 3.309 1.00 0.00 C ATOM 491 C PHE A 27 82.452 1.150 4.502 1.00 0.00 C ATOM 492 O PHE A 27 82.621 1.867 5.490 1.00 0.00 O ATOM 493 CB PHE A 27 80.288 0.918 3.260 1.00 0.00 C ATOM 494 CG PHE A 27 79.299 1.755 2.481 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.591 2.160 1.170 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.082 2.113 3.061 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.669 2.919 0.448 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.166 2.875 2.336 1.00 0.00 C ATOM 499 CZ PHE A 27 77.458 3.277 1.032 1.00 0.00 C ATOM 0 H PHE A 27 81.891 0.741 1.429 1.00 0.00 H new ATOM 0 HA PHE A 27 81.475 2.710 3.423 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.402 -0.060 2.792 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.918 0.746 4.271 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.532 1.884 0.718 1.00 0.00 H new ATOM 0 HD2 PHE A 27 77.850 1.801 4.069 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.895 3.228 -0.562 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.225 3.156 2.786 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.744 3.866 0.476 1.00 0.00 H new ATOM 509 N GLN A 28 82.955 -0.077 4.401 1.00 0.00 N ATOM 510 CA GLN A 28 83.750 -0.654 5.477 1.00 0.00 C ATOM 511 C GLN A 28 84.925 0.253 5.801 1.00 0.00 C ATOM 512 O GLN A 28 85.218 0.509 6.967 1.00 0.00 O ATOM 513 CB GLN A 28 84.269 -2.033 5.065 1.00 0.00 C ATOM 514 CG GLN A 28 83.142 -3.065 5.147 1.00 0.00 C ATOM 515 CD GLN A 28 83.620 -4.397 4.580 1.00 0.00 C ATOM 516 OE1 GLN A 28 82.754 -5.222 4.066 1.00 0.00 O flip ATOM 517 NE2 GLN A 28 84.813 -4.695 4.610 1.00 0.00 N flip ATOM 0 H GLN A 28 82.827 -0.685 3.592 1.00 0.00 H new ATOM 0 HA GLN A 28 83.120 -0.756 6.360 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.663 -1.993 4.050 1.00 0.00 H new ATOM 0 HB3 GLN A 28 85.092 -2.330 5.715 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.827 -3.192 6.183 1.00 0.00 H new ATOM 0 HG3 GLN A 28 82.273 -2.713 4.591 1.00 0.00 H new ATOM 0 HE21 GLN A 28 85.490 -4.048 5.013 1.00 0.00 H new ATOM 0 HE22 GLN A 28 85.125 -5.589 4.232 1.00 0.00 H new ATOM 526 N GLN A 29 85.577 0.762 4.765 1.00 0.00 N ATOM 527 CA GLN A 29 86.703 1.666 4.961 1.00 0.00 C ATOM 528 C GLN A 29 86.251 2.942 5.659 1.00 0.00 C ATOM 529 O GLN A 29 86.949 3.465 6.525 1.00 0.00 O ATOM 530 CB GLN A 29 87.341 2.006 3.613 1.00 0.00 C ATOM 531 CG GLN A 29 88.088 0.786 3.069 1.00 0.00 C ATOM 532 CD GLN A 29 89.298 0.482 3.943 1.00 0.00 C ATOM 533 OE1 GLN A 29 90.077 1.381 4.258 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.497 -0.737 4.362 1.00 0.00 N ATOM 0 H GLN A 29 85.350 0.568 3.790 1.00 0.00 H new ATOM 0 HA GLN A 29 87.440 1.169 5.591 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.573 2.318 2.906 1.00 0.00 H new ATOM 0 HB3 GLN A 29 88.029 2.844 3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.422 -0.077 3.043 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.408 0.973 2.044 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.849 -1.479 4.098 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.301 -0.948 4.953 1.00 0.00 H new ATOM 543 N ALA A 30 85.077 3.440 5.283 1.00 0.00 N ATOM 544 CA ALA A 30 84.542 4.653 5.887 1.00 0.00 C ATOM 545 C ALA A 30 84.088 4.381 7.316 1.00 0.00 C ATOM 546 O ALA A 30 83.955 5.301 8.122 1.00 0.00 O ATOM 547 CB ALA A 30 83.367 5.173 5.058 1.00 0.00 C ATOM 0 H ALA A 30 84.482 3.024 4.567 1.00 0.00 H new ATOM 0 HA ALA A 30 85.328 5.408 5.908 1.00 0.00 H new ATOM 0 HB1 ALA A 30 82.972 6.080 5.516 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.706 5.395 4.046 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.584 4.415 5.021 1.00 0.00 H new ATOM 553 N GLY A 31 83.853 3.109 7.625 1.00 0.00 N ATOM 554 CA GLY A 31 83.412 2.727 8.959 1.00 0.00 C ATOM 555 C GLY A 31 81.942 2.317 8.963 1.00 0.00 C ATOM 556 O GLY A 31 81.381 2.001 10.012 1.00 0.00 O ATOM 0 H GLY A 31 83.960 2.331 6.974 1.00 0.00 H new ATOM 0 HA2 GLY A 31 84.023 1.901 9.323 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.561 3.560 9.646 1.00 0.00 H new ATOM 560 N TYR A 32 81.321 2.324 7.787 1.00 0.00 N ATOM 561 CA TYR A 32 79.917 1.952 7.674 1.00 0.00 C ATOM 562 C TYR A 32 79.795 0.555 7.086 1.00 0.00 C ATOM 563 O TYR A 32 80.649 0.115 6.317 1.00 0.00 O ATOM 564 CB TYR A 32 79.187 2.949 6.769 1.00 0.00 C ATOM 565 CG TYR A 32 79.568 4.363 7.147 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.547 4.773 8.490 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.950 5.267 6.150 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.910 6.078 8.827 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.310 6.573 6.490 1.00 0.00 C ATOM 570 CZ TYR A 32 80.292 6.978 7.830 1.00 0.00 C ATOM 571 OH TYR A 32 80.650 8.266 8.169 1.00 0.00 O ATOM 0 H TYR A 32 81.765 2.581 6.906 1.00 0.00 H new ATOM 0 HA TYR A 32 79.468 1.966 8.667 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.442 2.761 5.726 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.109 2.816 6.862 1.00 0.00 H new ATOM 0 HD1 TYR A 32 79.250 4.079 9.262 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.967 4.955 5.116 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.895 6.392 9.860 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.602 7.271 5.719 1.00 0.00 H new ATOM 0 HH TYR A 32 81.190 8.655 7.450 1.00 0.00 H new ATOM 581 N ARG A 33 78.735 -0.146 7.468 1.00 0.00 N ATOM 582 CA ARG A 33 78.510 -1.496 6.969 1.00 0.00 C ATOM 583 C ARG A 33 77.770 -1.462 5.639 1.00 0.00 C ATOM 584 O ARG A 33 78.017 -2.290 4.763 1.00 0.00 O ATOM 585 CB ARG A 33 77.705 -2.298 7.986 1.00 0.00 C ATOM 586 CG ARG A 33 76.434 -1.529 8.371 1.00 0.00 C ATOM 587 CD ARG A 33 76.391 -1.342 9.887 1.00 0.00 C ATOM 588 NE ARG A 33 76.690 -2.596 10.565 1.00 0.00 N ATOM 589 CZ ARG A 33 77.240 -2.612 11.774 1.00 0.00 C ATOM 590 NH1 ARG A 33 77.518 -1.489 12.382 1.00 0.00 N ATOM 591 NH2 ARG A 33 77.502 -3.750 12.354 1.00 0.00 N ATOM 0 H ARG A 33 78.024 0.194 8.115 1.00 0.00 H new ATOM 0 HA ARG A 33 79.478 -1.973 6.816 1.00 0.00 H new ATOM 0 HB2 ARG A 33 77.440 -3.269 7.568 1.00 0.00 H new ATOM 0 HB3 ARG A 33 78.309 -2.487 8.873 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.418 -0.559 7.874 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.551 -2.073 8.036 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.111 -0.580 10.186 1.00 0.00 H new ATOM 0 HD3 ARG A 33 75.406 -0.985 10.187 1.00 0.00 H new ATOM 0 HE ARG A 33 76.473 -3.479 10.103 1.00 0.00 H new ATOM 0 HH11 ARG A 33 77.313 -0.599 11.928 1.00 0.00 H new ATOM 0 HH12 ARG A 33 77.940 -1.503 13.310 1.00 0.00 H new ATOM 0 HH21 ARG A 33 77.285 -4.626 11.879 1.00 0.00 H new ATOM 0 HH22 ARG A 33 77.924 -3.764 13.282 1.00 0.00 H new ATOM 605 N ASP A 34 76.861 -0.501 5.498 1.00 0.00 N ATOM 606 CA ASP A 34 76.080 -0.363 4.272 1.00 0.00 C ATOM 607 C ASP A 34 75.218 0.899 4.320 1.00 0.00 C ATOM 608 O ASP A 34 75.293 1.679 5.268 1.00 0.00 O ATOM 609 CB ASP A 34 75.178 -1.587 4.082 1.00 0.00 C ATOM 610 CG ASP A 34 74.677 -1.661 2.644 1.00 0.00 C ATOM 611 OD1 ASP A 34 75.284 -1.038 1.789 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.688 -2.339 2.419 1.00 0.00 O ATOM 0 H ASP A 34 76.647 0.192 6.215 1.00 0.00 H new ATOM 0 HA ASP A 34 76.773 -0.287 3.434 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.729 -2.494 4.329 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.331 -1.532 4.766 1.00 0.00 H new ATOM 617 N GLU A 35 74.401 1.086 3.288 1.00 0.00 N ATOM 618 CA GLU A 35 73.528 2.254 3.218 1.00 0.00 C ATOM 619 C GLU A 35 72.879 2.525 4.563 1.00 0.00 C ATOM 620 O GLU A 35 72.768 3.673 4.981 1.00 0.00 O ATOM 621 CB GLU A 35 72.443 2.022 2.169 1.00 0.00 C ATOM 622 CG GLU A 35 71.798 0.651 2.378 1.00 0.00 C ATOM 623 CD GLU A 35 70.775 0.385 1.283 1.00 0.00 C ATOM 624 OE1 GLU A 35 70.527 1.284 0.498 1.00 0.00 O ATOM 625 OE2 GLU A 35 70.254 -0.717 1.246 1.00 0.00 O ATOM 0 H GLU A 35 74.325 0.450 2.494 1.00 0.00 H new ATOM 0 HA GLU A 35 74.132 3.118 2.942 1.00 0.00 H new ATOM 0 HB2 GLU A 35 71.686 2.803 2.238 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.873 2.082 1.169 1.00 0.00 H new ATOM 0 HG2 GLU A 35 72.563 -0.125 2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 35 71.316 0.612 3.355 1.00 0.00 H new ATOM 632 N ILE A 36 72.436 1.471 5.231 1.00 0.00 N ATOM 633 CA ILE A 36 71.776 1.630 6.519 1.00 0.00 C ATOM 634 C ILE A 36 72.583 2.529 7.444 1.00 0.00 C ATOM 635 O ILE A 36 72.123 3.596 7.837 1.00 0.00 O ATOM 636 CB ILE A 36 71.617 0.263 7.183 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.900 -0.693 6.225 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.810 0.401 8.477 1.00 0.00 C ATOM 639 CD1 ILE A 36 69.534 -0.123 5.816 1.00 0.00 C ATOM 0 H ILE A 36 72.519 0.507 4.908 1.00 0.00 H new ATOM 0 HA ILE A 36 70.802 2.087 6.344 1.00 0.00 H new ATOM 0 HB ILE A 36 72.603 -0.136 7.421 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.513 -0.856 5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.767 -1.664 6.703 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.701 -0.578 8.944 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.330 1.073 9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.824 0.806 8.249 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.040 -0.816 5.135 1.00 0.00 H new ATOM 0 HD12 ILE A 36 68.917 0.016 6.704 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.674 0.836 5.318 1.00 0.00 H new ATOM 651 N GLU A 37 73.779 2.091 7.799 1.00 0.00 N ATOM 652 CA GLU A 37 74.619 2.869 8.694 1.00 0.00 C ATOM 653 C GLU A 37 75.009 4.196 8.072 1.00 0.00 C ATOM 654 O GLU A 37 75.033 5.222 8.747 1.00 0.00 O ATOM 655 CB GLU A 37 75.892 2.087 9.021 1.00 0.00 C ATOM 656 CG GLU A 37 76.745 2.861 10.037 1.00 0.00 C ATOM 657 CD GLU A 37 75.995 2.977 11.356 1.00 0.00 C ATOM 658 OE1 GLU A 37 75.118 2.159 11.588 1.00 0.00 O ATOM 659 OE2 GLU A 37 76.296 3.886 12.112 1.00 0.00 O ATOM 0 H GLU A 37 74.187 1.210 7.485 1.00 0.00 H new ATOM 0 HA GLU A 37 74.047 3.061 9.602 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.632 1.108 9.424 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.466 1.915 8.110 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.695 2.350 10.192 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.976 3.854 9.651 1.00 0.00 H new ATOM 666 N TYR A 38 75.351 4.168 6.796 1.00 0.00 N ATOM 667 CA TYR A 38 75.782 5.386 6.140 1.00 0.00 C ATOM 668 C TYR A 38 74.688 6.465 6.209 1.00 0.00 C ATOM 669 O TYR A 38 74.941 7.606 6.608 1.00 0.00 O ATOM 670 CB TYR A 38 76.049 5.121 4.662 1.00 0.00 C ATOM 671 CG TYR A 38 76.384 6.420 3.933 1.00 0.00 C ATOM 672 CD1 TYR A 38 76.805 7.579 4.629 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.310 6.457 2.532 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.110 8.738 3.936 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.613 7.640 1.849 1.00 0.00 C ATOM 676 CZ TYR A 38 77.004 8.778 2.558 1.00 0.00 C ATOM 677 OH TYR A 38 77.294 9.949 1.896 1.00 0.00 O ATOM 0 H TYR A 38 75.339 3.336 6.206 1.00 0.00 H new ATOM 0 HA TYR A 38 76.684 5.724 6.650 1.00 0.00 H new ATOM 0 HB2 TYR A 38 76.874 4.416 4.557 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.174 4.658 4.207 1.00 0.00 H new ATOM 0 HD1 TYR A 38 76.889 7.559 5.706 1.00 0.00 H new ATOM 0 HD2 TYR A 38 76.020 5.574 1.982 1.00 0.00 H new ATOM 0 HE1 TYR A 38 77.433 9.616 4.475 1.00 0.00 H new ATOM 0 HE2 TYR A 38 76.544 7.673 0.772 1.00 0.00 H new ATOM 0 HH TYR A 38 77.174 9.818 0.932 1.00 0.00 H new ATOM 687 N LYS A 39 73.471 6.110 5.813 1.00 0.00 N ATOM 688 CA LYS A 39 72.378 7.070 5.822 1.00 0.00 C ATOM 689 C LYS A 39 72.100 7.573 7.223 1.00 0.00 C ATOM 690 O LYS A 39 71.848 8.751 7.418 1.00 0.00 O ATOM 691 CB LYS A 39 71.113 6.422 5.260 1.00 0.00 C ATOM 692 CG LYS A 39 71.259 6.227 3.751 1.00 0.00 C ATOM 693 CD LYS A 39 69.991 5.567 3.198 1.00 0.00 C ATOM 694 CE LYS A 39 70.107 5.428 1.678 1.00 0.00 C ATOM 695 NZ LYS A 39 68.881 4.771 1.143 1.00 0.00 N ATOM 0 H LYS A 39 73.220 5.177 5.486 1.00 0.00 H new ATOM 0 HA LYS A 39 72.671 7.917 5.201 1.00 0.00 H new ATOM 0 HB2 LYS A 39 70.939 5.462 5.745 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.247 7.048 5.473 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.424 7.188 3.263 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.129 5.606 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 39 69.851 4.587 3.653 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.116 6.165 3.453 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.235 6.409 1.221 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.988 4.840 1.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 68.960 4.677 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 68.778 3.828 1.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 68.048 5.349 1.375 1.00 0.00 H new ATOM 709 N GLN A 40 72.148 6.674 8.193 1.00 0.00 N ATOM 710 CA GLN A 40 71.893 7.056 9.574 1.00 0.00 C ATOM 711 C GLN A 40 72.931 8.055 10.075 1.00 0.00 C ATOM 712 O GLN A 40 72.594 9.014 10.765 1.00 0.00 O ATOM 713 CB GLN A 40 71.929 5.812 10.462 1.00 0.00 C ATOM 714 CG GLN A 40 70.706 4.941 10.178 1.00 0.00 C ATOM 715 CD GLN A 40 70.857 3.588 10.868 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.974 3.147 11.135 1.00 0.00 O ATOM 717 NE2 GLN A 40 69.791 2.894 11.166 1.00 0.00 N ATOM 0 H GLN A 40 72.359 5.686 8.053 1.00 0.00 H new ATOM 0 HA GLN A 40 70.911 7.527 9.618 1.00 0.00 H new ATOM 0 HB2 GLN A 40 72.842 5.246 10.275 1.00 0.00 H new ATOM 0 HB3 GLN A 40 71.944 6.103 11.512 1.00 0.00 H new ATOM 0 HG2 GLN A 40 69.804 5.440 10.532 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.592 4.800 9.103 1.00 0.00 H new ATOM 0 HE21 GLN A 40 68.865 3.261 10.944 1.00 0.00 H new ATOM 0 HE22 GLN A 40 69.884 1.986 11.620 1.00 0.00 H new ATOM 726 N VAL A 41 74.194 7.826 9.730 1.00 0.00 N ATOM 727 CA VAL A 41 75.262 8.712 10.179 1.00 0.00 C ATOM 728 C VAL A 41 75.053 10.136 9.677 1.00 0.00 C ATOM 729 O VAL A 41 75.184 11.093 10.437 1.00 0.00 O ATOM 730 CB VAL A 41 76.604 8.188 9.664 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.700 9.212 9.958 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.940 6.868 10.359 1.00 0.00 C ATOM 0 H VAL A 41 74.500 7.046 9.149 1.00 0.00 H new ATOM 0 HA VAL A 41 75.253 8.730 11.269 1.00 0.00 H new ATOM 0 HB VAL A 41 76.539 8.025 8.588 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.656 8.838 9.591 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.463 10.152 9.460 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.764 9.378 11.033 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.896 6.496 9.991 1.00 0.00 H new ATOM 0 HG22 VAL A 41 77.003 7.029 11.435 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.160 6.136 10.147 1.00 0.00 H new ATOM 742 N LYS A 42 74.737 10.269 8.398 1.00 0.00 N ATOM 743 CA LYS A 42 74.521 11.584 7.812 1.00 0.00 C ATOM 744 C LYS A 42 73.034 11.890 7.704 1.00 0.00 C ATOM 745 O LYS A 42 72.650 12.957 7.234 1.00 0.00 O ATOM 746 CB LYS A 42 75.163 11.646 6.427 1.00 0.00 C ATOM 747 CG LYS A 42 76.688 11.737 6.556 1.00 0.00 C ATOM 748 CD LYS A 42 77.090 13.095 7.150 1.00 0.00 C ATOM 749 CE LYS A 42 78.439 13.519 6.575 1.00 0.00 C ATOM 750 NZ LYS A 42 78.261 13.927 5.153 1.00 0.00 N ATOM 0 H LYS A 42 74.625 9.489 7.750 1.00 0.00 H new ATOM 0 HA LYS A 42 74.981 12.330 8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.891 10.761 5.852 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.784 12.510 5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 42 77.055 10.931 7.191 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.151 11.608 5.578 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.332 13.844 6.920 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.150 13.026 8.236 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.851 14.346 7.154 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.151 12.697 6.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 78.997 14.614 4.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.337 13.091 4.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 77.324 14.361 5.031 1.00 0.00 H new ATOM 764 N GLN A 43 72.202 10.954 8.142 1.00 0.00 N ATOM 765 CA GLN A 43 70.761 11.151 8.075 1.00 0.00 C ATOM 766 C GLN A 43 70.352 11.657 6.693 1.00 0.00 C ATOM 767 O GLN A 43 69.680 12.682 6.576 1.00 0.00 O ATOM 768 CB GLN A 43 70.312 12.145 9.139 1.00 0.00 C ATOM 769 CG GLN A 43 70.628 11.577 10.522 1.00 0.00 C ATOM 770 CD GLN A 43 70.116 12.523 11.599 1.00 0.00 C ATOM 771 OE1 GLN A 43 68.929 12.844 11.630 1.00 0.00 O ATOM 772 NE2 GLN A 43 70.946 12.996 12.486 1.00 0.00 N ATOM 0 H GLN A 43 72.495 10.063 8.542 1.00 0.00 H new ATOM 0 HA GLN A 43 70.277 10.191 8.257 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.820 13.099 9.000 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.243 12.337 9.047 1.00 0.00 H new ATOM 0 HG2 GLN A 43 70.165 10.597 10.637 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.703 11.437 10.630 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.930 12.728 12.458 1.00 0.00 H new ATOM 0 HE22 GLN A 43 70.612 13.634 13.208 1.00 0.00 H new ATOM 781 N VAL A 44 70.764 10.934 5.654 1.00 0.00 N ATOM 782 CA VAL A 44 70.440 11.316 4.279 1.00 0.00 C ATOM 783 C VAL A 44 69.596 10.240 3.606 1.00 0.00 C ATOM 784 O VAL A 44 69.104 9.322 4.262 1.00 0.00 O ATOM 785 CB VAL A 44 71.720 11.537 3.472 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.433 12.791 3.979 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.636 10.326 3.639 1.00 0.00 C ATOM 0 H VAL A 44 71.321 10.083 5.736 1.00 0.00 H new ATOM 0 HA VAL A 44 69.870 12.245 4.313 1.00 0.00 H new ATOM 0 HB VAL A 44 71.471 11.664 2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.345 12.948 3.404 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.778 13.654 3.863 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.685 12.666 5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.550 10.479 3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.886 10.201 4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.127 9.432 3.278 1.00 0.00 H new ATOM 797 N ALA A 45 69.421 10.370 2.297 1.00 0.00 N ATOM 798 CA ALA A 45 68.622 9.411 1.543 1.00 0.00 C ATOM 799 C ALA A 45 69.292 9.064 0.218 1.00 0.00 C ATOM 800 O ALA A 45 69.205 7.930 -0.252 1.00 0.00 O ATOM 801 CB ALA A 45 67.233 9.990 1.272 1.00 0.00 C ATOM 0 H ALA A 45 69.818 11.125 1.738 1.00 0.00 H new ATOM 0 HA ALA A 45 68.533 8.502 2.138 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.642 9.268 0.708 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.737 10.205 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 45 67.328 10.910 0.695 1.00 0.00 H new ATOM 807 N MET A 46 69.958 10.048 -0.379 1.00 0.00 N ATOM 808 CA MET A 46 70.636 9.840 -1.655 1.00 0.00 C ATOM 809 C MET A 46 72.148 9.890 -1.470 1.00 0.00 C ATOM 810 O MET A 46 72.650 10.606 -0.604 1.00 0.00 O ATOM 811 CB MET A 46 70.208 10.922 -2.651 1.00 0.00 C ATOM 812 CG MET A 46 70.601 12.301 -2.113 1.00 0.00 C ATOM 813 SD MET A 46 69.990 13.583 -3.235 1.00 0.00 S ATOM 814 CE MET A 46 70.613 15.007 -2.309 1.00 0.00 C ATOM 0 H MET A 46 70.043 10.992 -0.003 1.00 0.00 H new ATOM 0 HA MET A 46 70.360 8.858 -2.039 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.682 10.749 -3.617 1.00 0.00 H new ATOM 0 HB3 MET A 46 69.131 10.877 -2.812 1.00 0.00 H new ATOM 0 HG2 MET A 46 70.185 12.446 -1.116 1.00 0.00 H new ATOM 0 HG3 MET A 46 71.685 12.371 -2.019 1.00 0.00 H new ATOM 0 HE1 MET A 46 70.345 15.926 -2.830 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.173 15.014 -1.312 1.00 0.00 H new ATOM 0 HE3 MET A 46 71.698 14.941 -2.226 1.00 0.00 H new ATOM 824 N VAL A 47 72.863 9.125 -2.290 1.00 0.00 N ATOM 825 CA VAL A 47 74.318 9.082 -2.211 1.00 0.00 C ATOM 826 C VAL A 47 74.934 9.689 -3.464 1.00 0.00 C ATOM 827 O VAL A 47 74.484 9.420 -4.576 1.00 0.00 O ATOM 828 CB VAL A 47 74.797 7.638 -2.062 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.320 7.611 -1.908 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.134 7.010 -0.838 1.00 0.00 C ATOM 0 H VAL A 47 72.460 8.529 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 47 74.631 9.659 -1.340 1.00 0.00 H new ATOM 0 HB VAL A 47 74.524 7.069 -2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.657 6.580 -1.802 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.783 8.055 -2.789 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.606 8.179 -1.023 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.473 5.980 -0.729 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.403 7.577 0.053 1.00 0.00 H new ATOM 0 HG23 VAL A 47 73.051 7.024 -0.963 1.00 0.00 H new ATOM 840 N ASP A 48 75.956 10.517 -3.279 1.00 0.00 N ATOM 841 CA ASP A 48 76.625 11.158 -4.406 1.00 0.00 C ATOM 842 C ASP A 48 77.468 10.140 -5.167 1.00 0.00 C ATOM 843 O ASP A 48 78.403 9.560 -4.616 1.00 0.00 O ATOM 844 CB ASP A 48 77.520 12.292 -3.901 1.00 0.00 C ATOM 845 CG ASP A 48 78.176 11.891 -2.584 1.00 0.00 C ATOM 846 OD1 ASP A 48 78.540 10.734 -2.452 1.00 0.00 O ATOM 847 OD2 ASP A 48 78.303 12.747 -1.723 1.00 0.00 O ATOM 0 H ASP A 48 76.338 10.760 -2.365 1.00 0.00 H new ATOM 0 HA ASP A 48 75.869 11.565 -5.078 1.00 0.00 H new ATOM 0 HB2 ASP A 48 78.285 12.521 -4.643 1.00 0.00 H new ATOM 0 HB3 ASP A 48 76.930 13.198 -3.762 1.00 0.00 H new ATOM 852 N ARG A 49 77.130 9.923 -6.434 1.00 0.00 N ATOM 853 CA ARG A 49 77.864 8.964 -7.252 1.00 0.00 C ATOM 854 C ARG A 49 78.069 9.509 -8.656 1.00 0.00 C ATOM 855 O ARG A 49 77.493 10.534 -9.021 1.00 0.00 O ATOM 856 CB ARG A 49 77.105 7.642 -7.329 1.00 0.00 C ATOM 857 CG ARG A 49 76.555 7.292 -5.950 1.00 0.00 C ATOM 858 CD ARG A 49 76.218 5.803 -5.884 1.00 0.00 C ATOM 859 NE ARG A 49 77.417 5.022 -5.602 1.00 0.00 N ATOM 860 CZ ARG A 49 77.362 3.701 -5.475 1.00 0.00 C ATOM 861 NH1 ARG A 49 76.221 3.082 -5.605 1.00 0.00 N ATOM 862 NH2 ARG A 49 78.446 3.023 -5.222 1.00 0.00 N ATOM 0 H ARG A 49 76.361 10.392 -6.913 1.00 0.00 H new ATOM 0 HA ARG A 49 78.836 8.796 -6.788 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.290 7.719 -8.049 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.767 6.850 -7.680 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.288 7.542 -5.183 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.664 7.884 -5.744 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.471 5.627 -5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.780 5.481 -6.829 1.00 0.00 H new ATOM 0 HE ARG A 49 78.313 5.498 -5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 49 75.373 3.612 -5.804 1.00 0.00 H new ATOM 0 HH12 ARG A 49 76.177 2.068 -5.508 1.00 0.00 H new ATOM 0 HH21 ARG A 49 79.338 3.507 -5.121 1.00 0.00 H new ATOM 0 HH22 ARG A 49 78.402 2.009 -5.125 1.00 0.00 H new ATOM 876 N TRP A 50 78.895 8.823 -9.440 1.00 0.00 N ATOM 877 CA TRP A 50 79.155 9.275 -10.806 1.00 0.00 C ATOM 878 C TRP A 50 78.271 8.527 -11.812 1.00 0.00 C ATOM 879 O TRP A 50 78.037 7.337 -11.670 1.00 0.00 O ATOM 880 CB TRP A 50 80.617 9.049 -11.163 1.00 0.00 C ATOM 881 CG TRP A 50 81.472 9.853 -10.244 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.747 9.529 -8.961 1.00 0.00 C ATOM 883 CD2 TRP A 50 82.177 11.100 -10.513 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.562 10.504 -8.419 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.860 11.490 -9.339 1.00 0.00 C ATOM 886 CE3 TRP A 50 82.285 11.923 -11.649 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.625 12.653 -9.292 1.00 0.00 C ATOM 888 CZ3 TRP A 50 83.055 13.096 -11.604 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.725 13.460 -10.429 1.00 0.00 C ATOM 0 H TRP A 50 79.386 7.973 -9.164 1.00 0.00 H new ATOM 0 HA TRP A 50 78.923 10.339 -10.855 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.866 7.991 -11.079 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.801 9.339 -12.198 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.388 8.651 -8.444 1.00 0.00 H new ATOM 0 HE1 TRP A 50 82.902 10.497 -7.457 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.773 11.651 -12.560 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 84.138 12.930 -8.383 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 83.131 13.722 -12.481 1.00 0.00 H new ATOM 0 HH2 TRP A 50 84.318 14.362 -10.402 1.00 0.00 H new ATOM 900 N PRO A 51 77.785 9.191 -12.826 1.00 0.00 N ATOM 901 CA PRO A 51 76.904 8.554 -13.854 1.00 0.00 C ATOM 902 C PRO A 51 77.627 7.486 -14.673 1.00 0.00 C ATOM 903 O PRO A 51 77.011 6.533 -15.148 1.00 0.00 O ATOM 904 CB PRO A 51 76.481 9.726 -14.741 1.00 0.00 C ATOM 905 CG PRO A 51 77.534 10.762 -14.546 1.00 0.00 C ATOM 906 CD PRO A 51 78.028 10.606 -13.122 1.00 0.00 C ATOM 0 HA PRO A 51 76.066 8.028 -13.396 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.414 9.425 -15.786 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.499 10.103 -14.454 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.349 10.626 -15.257 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.131 11.761 -14.710 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.085 10.858 -13.034 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.487 11.258 -12.436 1.00 0.00 H new ATOM 914 N GLU A 52 78.930 7.661 -14.842 1.00 0.00 N ATOM 915 CA GLU A 52 79.714 6.718 -15.632 1.00 0.00 C ATOM 916 C GLU A 52 79.480 5.294 -15.152 1.00 0.00 C ATOM 917 O GLU A 52 79.185 4.408 -15.955 1.00 0.00 O ATOM 918 CB GLU A 52 81.202 7.053 -15.502 1.00 0.00 C ATOM 919 CG GLU A 52 81.543 8.281 -16.349 1.00 0.00 C ATOM 920 CD GLU A 52 80.941 9.534 -15.725 1.00 0.00 C ATOM 921 OE1 GLU A 52 80.706 9.521 -14.528 1.00 0.00 O ATOM 922 OE2 GLU A 52 80.725 10.486 -16.454 1.00 0.00 O ATOM 0 H GLU A 52 79.463 8.437 -14.449 1.00 0.00 H new ATOM 0 HA GLU A 52 79.404 6.797 -16.674 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.450 7.242 -14.458 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.803 6.202 -15.823 1.00 0.00 H new ATOM 0 HG2 GLU A 52 82.625 8.389 -16.427 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.161 8.151 -17.362 1.00 0.00 H new ATOM 929 N THR A 53 79.607 5.076 -13.851 1.00 0.00 N ATOM 930 CA THR A 53 79.397 3.750 -13.290 1.00 0.00 C ATOM 931 C THR A 53 78.377 3.788 -12.158 1.00 0.00 C ATOM 932 O THR A 53 77.597 2.854 -11.987 1.00 0.00 O ATOM 933 CB THR A 53 80.715 3.211 -12.755 1.00 0.00 C ATOM 934 OG1 THR A 53 81.252 4.143 -11.832 1.00 0.00 O ATOM 935 CG2 THR A 53 81.703 2.995 -13.905 1.00 0.00 C ATOM 0 H THR A 53 79.852 5.794 -13.169 1.00 0.00 H new ATOM 0 HA THR A 53 79.017 3.102 -14.079 1.00 0.00 H new ATOM 0 HB THR A 53 80.542 2.256 -12.260 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.274 3.742 -10.938 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.643 2.609 -13.510 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.286 2.279 -14.613 1.00 0.00 H new ATOM 0 HG23 THR A 53 81.885 3.943 -14.412 1.00 0.00 H new ATOM 943 N GLY A 54 78.386 4.872 -11.387 1.00 0.00 N ATOM 944 CA GLY A 54 77.450 4.999 -10.270 1.00 0.00 C ATOM 945 C GLY A 54 78.116 4.650 -8.951 1.00 0.00 C ATOM 946 O GLY A 54 77.445 4.248 -8.005 1.00 0.00 O ATOM 0 H GLY A 54 79.018 5.663 -11.510 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.067 6.018 -10.228 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.595 4.343 -10.433 1.00 0.00 H new ATOM 950 N TYR A 55 79.434 4.804 -8.894 1.00 0.00 N ATOM 951 CA TYR A 55 80.172 4.502 -7.675 1.00 0.00 C ATOM 952 C TYR A 55 80.194 5.707 -6.750 1.00 0.00 C ATOM 953 O TYR A 55 80.059 6.850 -7.199 1.00 0.00 O ATOM 954 CB TYR A 55 81.604 4.073 -8.003 1.00 0.00 C ATOM 955 CG TYR A 55 81.600 2.753 -8.747 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.877 1.652 -8.257 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.318 2.630 -9.943 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.874 0.452 -8.962 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.312 1.418 -10.644 1.00 0.00 C ATOM 960 CZ TYR A 55 81.584 0.331 -10.152 1.00 0.00 C ATOM 961 OH TYR A 55 81.574 -0.866 -10.835 1.00 0.00 O ATOM 0 H TYR A 55 80.008 5.133 -9.670 1.00 0.00 H new ATOM 0 HA TYR A 55 79.666 3.680 -7.170 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.090 4.838 -8.608 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.182 3.978 -7.084 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.324 1.737 -7.333 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.877 3.471 -10.325 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.316 -0.391 -8.582 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.869 1.323 -11.564 1.00 0.00 H new ATOM 0 HH TYR A 55 82.441 -1.310 -10.729 1.00 0.00 H new ATOM 971 N VAL A 56 80.353 5.441 -5.454 1.00 0.00 N ATOM 972 CA VAL A 56 80.369 6.509 -4.465 1.00 0.00 C ATOM 973 C VAL A 56 81.459 7.520 -4.799 1.00 0.00 C ATOM 974 O VAL A 56 82.632 7.167 -4.925 1.00 0.00 O ATOM 975 CB VAL A 56 80.622 5.925 -3.070 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.527 7.024 -2.015 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.579 4.849 -2.764 1.00 0.00 C ATOM 0 H VAL A 56 80.471 4.503 -5.071 1.00 0.00 H new ATOM 0 HA VAL A 56 79.402 7.011 -4.477 1.00 0.00 H new ATOM 0 HB VAL A 56 81.621 5.489 -3.050 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.708 6.598 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.273 7.792 -2.221 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.532 7.468 -2.041 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.762 4.436 -1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.582 5.289 -2.796 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.648 4.054 -3.506 1.00 0.00 H new ATOM 987 N LYS A 57 81.061 8.780 -4.933 1.00 0.00 N ATOM 988 CA LYS A 57 82.011 9.842 -5.242 1.00 0.00 C ATOM 989 C LYS A 57 82.842 10.204 -4.018 1.00 0.00 C ATOM 990 O LYS A 57 84.069 10.238 -4.075 1.00 0.00 O ATOM 991 CB LYS A 57 81.261 11.077 -5.749 1.00 0.00 C ATOM 992 CG LYS A 57 82.224 12.266 -5.850 1.00 0.00 C ATOM 993 CD LYS A 57 81.532 13.427 -6.555 1.00 0.00 C ATOM 994 CE LYS A 57 82.401 14.680 -6.438 1.00 0.00 C ATOM 995 NZ LYS A 57 81.757 15.801 -7.176 1.00 0.00 N ATOM 0 H LYS A 57 80.094 9.090 -4.833 1.00 0.00 H new ATOM 0 HA LYS A 57 82.687 9.484 -6.018 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.820 10.871 -6.724 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.441 11.318 -5.073 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.546 12.572 -4.854 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.120 11.976 -6.399 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.365 13.183 -7.604 1.00 0.00 H new ATOM 0 HD3 LYS A 57 80.553 13.606 -6.110 1.00 0.00 H new ATOM 0 HE2 LYS A 57 82.532 14.948 -5.390 1.00 0.00 H new ATOM 0 HE3 LYS A 57 83.394 14.486 -6.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 82.348 16.653 -7.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 81.654 15.543 -8.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 80.819 15.991 -6.769 1.00 0.00 H new ATOM 1009 N LYS A 58 82.164 10.477 -2.911 1.00 0.00 N ATOM 1010 CA LYS A 58 82.854 10.841 -1.681 1.00 0.00 C ATOM 1011 C LYS A 58 82.156 10.227 -0.482 1.00 0.00 C ATOM 1012 O LYS A 58 80.937 10.058 -0.490 1.00 0.00 O ATOM 1013 CB LYS A 58 82.883 12.368 -1.528 1.00 0.00 C ATOM 1014 CG LYS A 58 81.452 12.915 -1.449 1.00 0.00 C ATOM 1015 CD LYS A 58 81.494 14.437 -1.309 1.00 0.00 C ATOM 1016 CE LYS A 58 80.067 14.978 -1.216 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.104 16.459 -1.067 1.00 0.00 N ATOM 0 H LYS A 58 81.147 10.454 -2.839 1.00 0.00 H new ATOM 0 HA LYS A 58 83.875 10.461 -1.732 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.436 12.641 -0.629 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.406 12.816 -2.372 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.895 12.637 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.930 12.475 -0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 58 82.059 14.716 -0.420 1.00 0.00 H new ATOM 0 HD3 LYS A 58 82.007 14.878 -2.164 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.505 14.706 -2.110 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.552 14.530 -0.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 79.133 16.826 -1.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 80.625 16.708 -0.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.580 16.879 -1.891 1.00 0.00 H new ATOM 1031 N LEU A 59 82.926 9.898 0.549 1.00 0.00 N ATOM 1032 CA LEU A 59 82.347 9.302 1.745 1.00 0.00 C ATOM 1033 C LEU A 59 83.128 9.724 2.986 1.00 0.00 C ATOM 1034 O LEU A 59 84.362 9.708 2.997 1.00 0.00 O ATOM 1035 CB LEU A 59 82.383 7.774 1.630 1.00 0.00 C ATOM 1036 CG LEU A 59 81.119 7.154 2.189 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.899 7.648 1.419 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.194 5.627 2.094 1.00 0.00 C ATOM 0 H LEU A 59 83.937 10.031 0.581 1.00 0.00 H new ATOM 0 HA LEU A 59 81.317 9.646 1.837 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.500 7.488 0.585 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.249 7.386 2.166 1.00 0.00 H new ATOM 0 HG LEU A 59 81.026 7.448 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 59 78.999 7.193 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.830 8.732 1.504 1.00 0.00 H new ATOM 0 HD13 LEU A 59 79.995 7.372 0.369 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.280 5.192 2.499 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.305 5.332 1.050 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.050 5.269 2.665 1.00 0.00 H new ATOM 1050 N GLN A 60 82.400 10.100 4.030 1.00 0.00 N ATOM 1051 CA GLN A 60 83.028 10.524 5.275 1.00 0.00 C ATOM 1052 C GLN A 60 83.337 9.317 6.153 1.00 0.00 C ATOM 1053 O GLN A 60 82.518 8.412 6.292 1.00 0.00 O ATOM 1054 CB GLN A 60 82.110 11.480 6.033 1.00 0.00 C ATOM 1055 CG GLN A 60 82.915 12.210 7.108 1.00 0.00 C ATOM 1056 CD GLN A 60 81.967 12.905 8.079 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.825 12.475 8.245 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.372 13.954 8.740 1.00 0.00 N ATOM 0 H GLN A 60 81.380 10.120 4.040 1.00 0.00 H new ATOM 0 HA GLN A 60 83.958 11.036 5.030 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.666 12.199 5.344 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.289 10.928 6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.547 11.503 7.645 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.577 12.942 6.645 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.318 14.310 8.602 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.743 14.419 9.395 1.00 0.00 H new ATOM 1067 N ARG A 61 84.527 9.309 6.734 1.00 0.00 N ATOM 1068 CA ARG A 61 84.936 8.197 7.585 1.00 0.00 C ATOM 1069 C ARG A 61 84.305 8.301 8.971 1.00 0.00 C ATOM 1070 O ARG A 61 83.738 9.332 9.336 1.00 0.00 O ATOM 1071 CB ARG A 61 86.456 8.162 7.721 1.00 0.00 C ATOM 1072 CG ARG A 61 87.094 8.160 6.327 1.00 0.00 C ATOM 1073 CD ARG A 61 88.337 7.260 6.319 1.00 0.00 C ATOM 1074 NE ARG A 61 88.894 7.175 4.974 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.722 6.191 4.638 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.049 5.285 5.519 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.202 6.126 3.428 1.00 0.00 N ATOM 0 H ARG A 61 85.221 10.050 6.635 1.00 0.00 H new ATOM 0 HA ARG A 61 84.592 7.277 7.113 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.801 9.026 8.289 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.762 7.274 8.274 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.374 7.806 5.589 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.369 9.176 6.042 1.00 0.00 H new ATOM 0 HD2 ARG A 61 89.085 7.657 7.005 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.075 6.264 6.675 1.00 0.00 H new ATOM 0 HE ARG A 61 88.645 7.881 4.281 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.669 5.332 6.464 1.00 0.00 H new ATOM 0 HH12 ARG A 61 90.684 4.530 5.262 1.00 0.00 H new ATOM 0 HH21 ARG A 61 89.942 6.831 2.738 1.00 0.00 H new ATOM 0 HH22 ARG A 61 90.837 5.370 3.171 1.00 0.00 H new ATOM 1091 N ARG A 62 84.417 7.226 9.736 1.00 0.00 N ATOM 1092 CA ARG A 62 83.861 7.207 11.085 1.00 0.00 C ATOM 1093 C ARG A 62 84.646 8.144 11.989 1.00 0.00 C ATOM 1094 O ARG A 62 84.268 8.378 13.136 1.00 0.00 O ATOM 1095 CB ARG A 62 83.884 5.787 11.663 1.00 0.00 C ATOM 1096 CG ARG A 62 82.489 5.159 11.576 1.00 0.00 C ATOM 1097 CD ARG A 62 81.638 5.639 12.751 1.00 0.00 C ATOM 1098 NE ARG A 62 80.244 5.274 12.543 1.00 0.00 N ATOM 1099 CZ ARG A 62 79.318 5.564 13.448 1.00 0.00 C ATOM 1100 NH1 ARG A 62 79.652 6.187 14.545 1.00 0.00 N ATOM 1101 NH2 ARG A 62 78.076 5.228 13.240 1.00 0.00 N ATOM 0 H ARG A 62 84.882 6.363 9.453 1.00 0.00 H new ATOM 0 HA ARG A 62 82.826 7.544 11.032 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.601 5.175 11.116 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.215 5.814 12.701 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.014 5.432 10.634 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.567 4.072 11.590 1.00 0.00 H new ATOM 0 HD2 ARG A 62 82.003 5.197 13.678 1.00 0.00 H new ATOM 0 HD3 ARG A 62 81.727 6.720 12.856 1.00 0.00 H new ATOM 0 HE ARG A 62 79.975 4.788 11.688 1.00 0.00 H new ATOM 0 HH11 ARG A 62 80.624 6.451 14.706 1.00 0.00 H new ATOM 0 HH12 ARG A 62 78.941 6.410 15.241 1.00 0.00 H new ATOM 0 HH21 ARG A 62 77.816 4.742 12.382 1.00 0.00 H new ATOM 0 HH22 ARG A 62 77.364 5.451 13.936 1.00 0.00 H new ATOM 1115 N ASP A 63 85.743 8.677 11.464 1.00 0.00 N ATOM 1116 CA ASP A 63 86.579 9.589 12.230 1.00 0.00 C ATOM 1117 C ASP A 63 86.259 11.033 11.881 1.00 0.00 C ATOM 1118 O ASP A 63 86.932 11.947 12.348 1.00 0.00 O ATOM 1119 CB ASP A 63 88.050 9.314 11.961 1.00 0.00 C ATOM 1120 CG ASP A 63 88.448 7.976 12.571 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.656 7.433 13.321 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.543 7.521 12.286 1.00 0.00 O ATOM 0 H ASP A 63 86.072 8.494 10.516 1.00 0.00 H new ATOM 0 HA ASP A 63 86.372 9.427 13.288 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.236 9.304 10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.661 10.112 12.383 1.00 0.00 H new ATOM 1127 N ASN A 64 85.229 11.236 11.058 1.00 0.00 N ATOM 1128 CA ASN A 64 84.830 12.577 10.656 1.00 0.00 C ATOM 1129 C ASN A 64 85.815 13.166 9.652 1.00 0.00 C ATOM 1130 O ASN A 64 86.100 14.363 9.679 1.00 0.00 O ATOM 1131 CB ASN A 64 84.732 13.488 11.877 1.00 0.00 C ATOM 1132 CG ASN A 64 84.182 12.708 13.064 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.379 11.789 12.889 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.555 13.033 14.267 1.00 0.00 N ATOM 0 H ASN A 64 84.660 10.489 10.660 1.00 0.00 H new ATOM 0 HA ASN A 64 83.852 12.506 10.179 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.715 13.892 12.120 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.084 14.337 11.657 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.183 12.527 15.071 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.220 13.794 14.407 1.00 0.00 H new ATOM 1141 N THR A 65 86.318 12.315 8.762 1.00 0.00 N ATOM 1142 CA THR A 65 87.257 12.762 7.738 1.00 0.00 C ATOM 1143 C THR A 65 86.705 12.464 6.351 1.00 0.00 C ATOM 1144 O THR A 65 86.281 11.343 6.067 1.00 0.00 O ATOM 1145 CB THR A 65 88.607 12.064 7.926 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.409 10.661 8.008 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.265 12.567 9.210 1.00 0.00 C ATOM 0 H THR A 65 86.094 11.321 8.729 1.00 0.00 H new ATOM 0 HA THR A 65 87.397 13.839 7.836 1.00 0.00 H new ATOM 0 HB THR A 65 89.253 12.287 7.077 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.274 10.215 8.127 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.226 12.071 9.345 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.419 13.644 9.142 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.620 12.346 10.060 1.00 0.00 H new ATOM 1155 N PHE A 66 86.712 13.476 5.488 1.00 0.00 N ATOM 1156 CA PHE A 66 86.200 13.309 4.133 1.00 0.00 C ATOM 1157 C PHE A 66 87.183 12.510 3.288 1.00 0.00 C ATOM 1158 O PHE A 66 88.350 12.882 3.167 1.00 0.00 O ATOM 1159 CB PHE A 66 85.974 14.680 3.488 1.00 0.00 C ATOM 1160 CG PHE A 66 84.815 15.373 4.162 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.502 15.012 3.840 1.00 0.00 C ATOM 1162 CD2 PHE A 66 85.054 16.376 5.112 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.426 15.653 4.466 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.978 17.017 5.738 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.665 16.656 5.414 1.00 0.00 C ATOM 0 H PHE A 66 87.063 14.410 5.700 1.00 0.00 H new ATOM 0 HA PHE A 66 85.254 12.769 4.185 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.875 15.287 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.771 14.563 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.319 14.239 3.109 1.00 0.00 H new ATOM 0 HD2 PHE A 66 86.067 16.654 5.361 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.412 15.374 4.218 1.00 0.00 H new ATOM 0 HE2 PHE A 66 84.161 17.789 6.470 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.835 17.152 5.896 1.00 0.00 H new ATOM 1175 N PHE A 67 86.704 11.411 2.707 1.00 0.00 N ATOM 1176 CA PHE A 67 87.549 10.563 1.877 1.00 0.00 C ATOM 1177 C PHE A 67 86.962 10.441 0.477 1.00 0.00 C ATOM 1178 O PHE A 67 85.851 9.939 0.299 1.00 0.00 O ATOM 1179 CB PHE A 67 87.671 9.174 2.507 1.00 0.00 C ATOM 1180 CG PHE A 67 88.791 8.418 1.835 1.00 0.00 C ATOM 1181 CD1 PHE A 67 90.121 8.763 2.105 1.00 0.00 C ATOM 1182 CD2 PHE A 67 88.504 7.375 0.947 1.00 0.00 C ATOM 1183 CE1 PHE A 67 91.165 8.064 1.485 1.00 0.00 C ATOM 1184 CE2 PHE A 67 89.547 6.676 0.328 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.878 7.021 0.598 1.00 0.00 C ATOM 0 H PHE A 67 85.740 11.091 2.797 1.00 0.00 H new ATOM 0 HA PHE A 67 88.538 11.016 1.807 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.867 9.263 3.576 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.733 8.629 2.399 1.00 0.00 H new ATOM 0 HD1 PHE A 67 90.342 9.568 2.791 1.00 0.00 H new ATOM 0 HD2 PHE A 67 87.478 7.109 0.739 1.00 0.00 H new ATOM 0 HE1 PHE A 67 92.191 8.330 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 67 89.326 5.871 -0.357 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.683 6.481 0.121 1.00 0.00 H new ATOM 1195 N TYR A 68 87.710 10.908 -0.515 1.00 0.00 N ATOM 1196 CA TYR A 68 87.246 10.847 -1.894 1.00 0.00 C ATOM 1197 C TYR A 68 87.509 9.465 -2.484 1.00 0.00 C ATOM 1198 O TYR A 68 88.597 8.911 -2.330 1.00 0.00 O ATOM 1199 CB TYR A 68 87.968 11.905 -2.733 1.00 0.00 C ATOM 1200 CG TYR A 68 87.589 13.284 -2.246 1.00 0.00 C ATOM 1201 CD1 TYR A 68 86.350 13.833 -2.595 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.475 14.012 -1.443 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.997 15.110 -2.142 1.00 0.00 C ATOM 1204 CE2 TYR A 68 88.123 15.289 -0.989 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.883 15.838 -1.339 1.00 0.00 C ATOM 1206 OH TYR A 68 86.537 17.096 -0.891 1.00 0.00 O ATOM 0 H TYR A 68 88.631 11.329 -0.392 1.00 0.00 H new ATOM 0 HA TYR A 68 86.173 11.040 -1.908 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.047 11.767 -2.661 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.702 11.794 -3.784 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.666 13.272 -3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.431 13.588 -1.173 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.041 15.533 -2.412 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.807 15.850 -0.370 1.00 0.00 H new ATOM 0 HH TYR A 68 87.265 17.461 -0.345 1.00 0.00 H new ATOM 1216 N TYR A 69 86.505 8.922 -3.168 1.00 0.00 N ATOM 1217 CA TYR A 69 86.626 7.608 -3.790 1.00 0.00 C ATOM 1218 C TYR A 69 86.763 7.740 -5.300 1.00 0.00 C ATOM 1219 O TYR A 69 86.299 8.714 -5.893 1.00 0.00 O ATOM 1220 CB TYR A 69 85.413 6.740 -3.451 1.00 0.00 C ATOM 1221 CG TYR A 69 85.592 6.142 -2.075 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.433 5.034 -1.907 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.920 6.679 -0.973 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.602 4.468 -0.638 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.092 6.107 0.293 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.930 5.006 0.460 1.00 0.00 C ATOM 1227 OH TYR A 69 86.089 4.451 1.712 1.00 0.00 O ATOM 0 H TYR A 69 85.600 9.372 -3.305 1.00 0.00 H new ATOM 0 HA TYR A 69 87.523 7.129 -3.397 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.503 7.339 -3.484 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.300 5.948 -4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 69 86.951 4.616 -2.757 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.270 7.533 -1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.252 3.615 -0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.573 6.521 1.145 1.00 0.00 H new ATOM 0 HH TYR A 69 85.319 3.880 1.917 1.00 0.00 H new ATOM 1237 N ASN A 70 87.401 6.753 -5.921 1.00 0.00 N ATOM 1238 CA ASN A 70 87.587 6.767 -7.367 1.00 0.00 C ATOM 1239 C ASN A 70 86.569 5.863 -8.060 1.00 0.00 C ATOM 1240 O ASN A 70 86.350 4.728 -7.639 1.00 0.00 O ATOM 1241 CB ASN A 70 89.002 6.305 -7.711 1.00 0.00 C ATOM 1242 CG ASN A 70 89.047 4.783 -7.806 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.688 4.214 -8.838 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.469 4.086 -6.788 1.00 0.00 N ATOM 0 H ASN A 70 87.795 5.939 -5.449 1.00 0.00 H new ATOM 0 HA ASN A 70 87.438 7.787 -7.720 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.317 6.746 -8.657 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.701 6.651 -6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.502 3.068 -6.845 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.766 4.559 -5.934 1.00 0.00 H new ATOM 1251 N LYS A 71 85.964 6.365 -9.131 1.00 0.00 N ATOM 1252 CA LYS A 71 84.988 5.579 -9.880 1.00 0.00 C ATOM 1253 C LYS A 71 85.679 4.461 -10.655 1.00 0.00 C ATOM 1254 O LYS A 71 85.112 3.392 -10.869 1.00 0.00 O ATOM 1255 CB LYS A 71 84.227 6.488 -10.847 1.00 0.00 C ATOM 1256 CG LYS A 71 85.211 7.429 -11.540 1.00 0.00 C ATOM 1257 CD LYS A 71 84.613 7.912 -12.859 1.00 0.00 C ATOM 1258 CE LYS A 71 85.549 8.938 -13.497 1.00 0.00 C ATOM 1259 NZ LYS A 71 85.512 10.205 -12.710 1.00 0.00 N ATOM 0 H LYS A 71 86.129 7.302 -9.498 1.00 0.00 H new ATOM 0 HA LYS A 71 84.287 5.130 -9.176 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.698 5.888 -11.587 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.475 7.064 -10.307 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.432 8.280 -10.896 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.154 6.915 -11.723 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.466 7.069 -13.534 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.633 8.356 -12.685 1.00 0.00 H new ATOM 0 HE2 LYS A 71 86.566 8.547 -13.529 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.248 9.129 -14.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 85.890 10.983 -13.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 84.530 10.418 -12.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.090 10.098 -11.852 1.00 0.00 H new ATOM 1273 N GLU A 72 86.912 4.710 -11.069 1.00 0.00 N ATOM 1274 CA GLU A 72 87.662 3.710 -11.815 1.00 0.00 C ATOM 1275 C GLU A 72 88.134 2.605 -10.886 1.00 0.00 C ATOM 1276 O GLU A 72 89.320 2.295 -10.856 1.00 0.00 O ATOM 1277 CB GLU A 72 88.879 4.354 -12.478 1.00 0.00 C ATOM 1278 CG GLU A 72 88.417 5.277 -13.605 1.00 0.00 C ATOM 1279 CD GLU A 72 89.604 6.058 -14.159 1.00 0.00 C ATOM 1280 OE1 GLU A 72 90.615 6.124 -13.478 1.00 0.00 O ATOM 1281 OE2 GLU A 72 89.486 6.572 -15.258 1.00 0.00 O ATOM 0 H GLU A 72 87.410 5.585 -10.904 1.00 0.00 H new ATOM 0 HA GLU A 72 87.008 3.289 -12.578 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.451 4.919 -11.742 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.541 3.584 -12.873 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.954 4.691 -14.399 1.00 0.00 H new ATOM 0 HG3 GLU A 72 87.659 5.966 -13.234 1.00 0.00 H new ATOM 1365 N LYS A 78 91.446 -10.310 -5.174 1.00 0.00 N ATOM 1366 CA LYS A 78 92.234 -10.176 -3.954 1.00 0.00 C ATOM 1367 C LYS A 78 91.443 -9.427 -2.881 1.00 0.00 C ATOM 1368 O LYS A 78 91.523 -9.742 -1.688 1.00 0.00 O ATOM 1369 CB LYS A 78 93.528 -9.423 -4.244 1.00 0.00 C ATOM 1370 CG LYS A 78 94.430 -9.470 -3.007 1.00 0.00 C ATOM 1371 CD LYS A 78 95.769 -8.784 -3.307 1.00 0.00 C ATOM 1372 CE LYS A 78 95.613 -7.261 -3.217 1.00 0.00 C ATOM 1373 NZ LYS A 78 96.948 -6.618 -3.349 1.00 0.00 N ATOM 0 HA LYS A 78 92.468 -11.176 -3.590 1.00 0.00 H new ATOM 0 HB2 LYS A 78 94.038 -9.869 -5.097 1.00 0.00 H new ATOM 0 HB3 LYS A 78 93.309 -8.389 -4.509 1.00 0.00 H new ATOM 0 HG2 LYS A 78 93.938 -8.975 -2.169 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.601 -10.505 -2.710 1.00 0.00 H new ATOM 0 HD2 LYS A 78 96.526 -9.122 -2.600 1.00 0.00 H new ATOM 0 HD3 LYS A 78 96.115 -9.064 -4.302 1.00 0.00 H new ATOM 0 HE2 LYS A 78 94.947 -6.906 -4.003 1.00 0.00 H new ATOM 0 HE3 LYS A 78 95.158 -6.987 -2.265 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 96.843 -5.585 -3.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 97.570 -6.949 -2.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 97.365 -6.870 -4.268 1.00 0.00 H new ATOM 1387 N GLU A 79 90.665 -8.433 -3.310 1.00 0.00 N ATOM 1388 CA GLU A 79 89.872 -7.648 -2.379 1.00 0.00 C ATOM 1389 C GLU A 79 88.600 -8.393 -2.012 1.00 0.00 C ATOM 1390 O GLU A 79 88.148 -8.341 -0.884 1.00 0.00 O ATOM 1391 CB GLU A 79 89.516 -6.300 -3.003 1.00 0.00 C ATOM 1392 CG GLU A 79 90.054 -5.164 -2.129 1.00 0.00 C ATOM 1393 CD GLU A 79 91.579 -5.173 -2.141 1.00 0.00 C ATOM 1394 OE1 GLU A 79 92.140 -5.423 -3.195 1.00 0.00 O ATOM 1395 OE2 GLU A 79 92.162 -4.930 -1.097 1.00 0.00 O ATOM 0 H GLU A 79 90.571 -8.158 -4.288 1.00 0.00 H new ATOM 0 HA GLU A 79 90.459 -7.482 -1.476 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.938 -6.231 -4.006 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.434 -6.211 -3.106 1.00 0.00 H new ATOM 0 HG2 GLU A 79 89.685 -4.206 -2.496 1.00 0.00 H new ATOM 0 HG3 GLU A 79 89.690 -5.276 -1.108 1.00 0.00 H new ATOM 1402 N VAL A 80 88.031 -9.105 -2.966 1.00 0.00 N ATOM 1403 CA VAL A 80 86.814 -9.858 -2.694 1.00 0.00 C ATOM 1404 C VAL A 80 87.049 -10.871 -1.576 1.00 0.00 C ATOM 1405 O VAL A 80 86.193 -11.067 -0.708 1.00 0.00 O ATOM 1406 CB VAL A 80 86.377 -10.590 -3.954 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.244 -11.577 -3.642 1.00 0.00 C ATOM 1408 CG2 VAL A 80 85.876 -9.571 -4.963 1.00 0.00 C ATOM 0 H VAL A 80 88.381 -9.180 -3.921 1.00 0.00 H new ATOM 0 HA VAL A 80 86.036 -9.162 -2.381 1.00 0.00 H new ATOM 0 HB VAL A 80 87.227 -11.144 -4.354 1.00 0.00 H new ATOM 0 HG11 VAL A 80 84.946 -12.090 -4.556 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.590 -12.309 -2.912 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.390 -11.034 -3.236 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.560 -10.084 -5.871 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.032 -9.026 -4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.677 -8.871 -5.202 1.00 0.00 H new ATOM 1418 N HIS A 81 88.196 -11.529 -1.616 1.00 0.00 N ATOM 1419 CA HIS A 81 88.514 -12.538 -0.607 1.00 0.00 C ATOM 1420 C HIS A 81 88.736 -11.920 0.771 1.00 0.00 C ATOM 1421 O HIS A 81 88.268 -12.448 1.774 1.00 0.00 O ATOM 1422 CB HIS A 81 89.780 -13.287 -1.014 1.00 0.00 C ATOM 1423 CG HIS A 81 89.463 -14.268 -2.105 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.298 -13.884 -3.424 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.283 -15.630 -2.084 1.00 0.00 C ATOM 1426 CE1 HIS A 81 89.029 -14.989 -4.139 1.00 0.00 C ATOM 1427 NE2 HIS A 81 89.008 -16.083 -3.371 1.00 0.00 N ATOM 0 H HIS A 81 88.917 -11.389 -2.324 1.00 0.00 H new ATOM 0 HA HIS A 81 87.663 -13.217 -0.546 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.537 -12.581 -1.356 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.197 -13.809 -0.153 1.00 0.00 H new ATOM 0 HD2 HIS A 81 89.345 -16.253 -1.204 1.00 0.00 H new ATOM 0 HE1 HIS A 81 88.851 -14.993 -5.204 1.00 0.00 H new ATOM 0 HE2 HIS A 81 88.829 -17.043 -3.665 1.00 0.00 H new ATOM 1435 N LYS A 82 89.451 -10.802 0.814 1.00 0.00 N ATOM 1436 CA LYS A 82 89.719 -10.139 2.088 1.00 0.00 C ATOM 1437 C LYS A 82 88.535 -9.269 2.515 1.00 0.00 C ATOM 1438 O LYS A 82 88.395 -8.928 3.689 1.00 0.00 O ATOM 1439 CB LYS A 82 90.990 -9.300 1.975 1.00 0.00 C ATOM 1440 CG LYS A 82 90.730 -8.093 1.085 1.00 0.00 C ATOM 1441 CD LYS A 82 90.643 -6.827 1.933 1.00 0.00 C ATOM 1442 CE LYS A 82 92.015 -6.516 2.532 1.00 0.00 C ATOM 1443 NZ LYS A 82 92.315 -5.074 2.350 1.00 0.00 N ATOM 0 H LYS A 82 89.851 -10.340 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 82 89.862 -10.901 2.854 1.00 0.00 H new ATOM 0 HB2 LYS A 82 91.310 -8.972 2.964 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.799 -9.902 1.561 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.529 -7.994 0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 82 89.802 -8.233 0.530 1.00 0.00 H new ATOM 0 HD2 LYS A 82 90.304 -5.991 1.322 1.00 0.00 H new ATOM 0 HD3 LYS A 82 89.909 -6.959 2.728 1.00 0.00 H new ATOM 0 HE2 LYS A 82 92.028 -6.771 3.592 1.00 0.00 H new ATOM 0 HE3 LYS A 82 92.781 -7.122 2.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.248 -4.859 2.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.319 -4.846 1.335 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.589 -4.505 2.830 1.00 0.00 H new ATOM 1457 N VAL A 83 87.691 -8.916 1.550 1.00 0.00 N ATOM 1458 CA VAL A 83 86.522 -8.090 1.824 1.00 0.00 C ATOM 1459 C VAL A 83 85.353 -8.955 2.271 1.00 0.00 C ATOM 1460 O VAL A 83 85.110 -10.022 1.709 1.00 0.00 O ATOM 1461 CB VAL A 83 86.123 -7.299 0.579 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.791 -6.597 0.825 1.00 0.00 C ATOM 1463 CG2 VAL A 83 87.199 -6.255 0.281 1.00 0.00 C ATOM 0 H VAL A 83 87.795 -9.189 0.573 1.00 0.00 H new ATOM 0 HA VAL A 83 86.778 -7.394 2.623 1.00 0.00 H new ATOM 0 HB VAL A 83 86.023 -7.977 -0.268 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.507 -6.033 -0.064 1.00 0.00 H new ATOM 0 HG12 VAL A 83 84.023 -7.339 1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.889 -5.916 1.671 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.919 -5.688 -0.607 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.294 -5.578 1.130 1.00 0.00 H new ATOM 0 HG23 VAL A 83 88.152 -6.754 0.107 1.00 0.00 H new ATOM 1473 N LYS A 84 84.629 -8.487 3.282 1.00 0.00 N ATOM 1474 CA LYS A 84 83.479 -9.221 3.795 1.00 0.00 C ATOM 1475 C LYS A 84 82.183 -8.524 3.406 1.00 0.00 C ATOM 1476 O LYS A 84 82.182 -7.338 3.086 1.00 0.00 O ATOM 1477 CB LYS A 84 83.564 -9.325 5.318 1.00 0.00 C ATOM 1478 CG LYS A 84 84.450 -10.512 5.699 1.00 0.00 C ATOM 1479 CD LYS A 84 84.726 -10.482 7.203 1.00 0.00 C ATOM 1480 CE LYS A 84 86.214 -10.225 7.441 1.00 0.00 C ATOM 1481 NZ LYS A 84 86.608 -8.947 6.782 1.00 0.00 N ATOM 0 H LYS A 84 84.817 -7.606 3.761 1.00 0.00 H new ATOM 0 HA LYS A 84 83.487 -10.221 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.973 -8.404 5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 84 82.567 -9.451 5.741 1.00 0.00 H new ATOM 0 HG2 LYS A 84 83.960 -11.447 5.427 1.00 0.00 H new ATOM 0 HG3 LYS A 84 85.388 -10.471 5.146 1.00 0.00 H new ATOM 0 HD2 LYS A 84 84.130 -9.702 7.678 1.00 0.00 H new ATOM 0 HD3 LYS A 84 84.432 -11.428 7.657 1.00 0.00 H new ATOM 0 HE2 LYS A 84 86.419 -10.174 8.510 1.00 0.00 H new ATOM 0 HE3 LYS A 84 86.805 -11.050 7.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 87.432 -8.544 7.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 86.851 -9.130 5.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 85.816 -8.275 6.827 1.00 0.00 H new ATOM 1495 N VAL A 85 81.083 -9.270 3.429 1.00 0.00 N ATOM 1496 CA VAL A 85 79.784 -8.706 3.077 1.00 0.00 C ATOM 1497 C VAL A 85 78.765 -8.985 4.176 1.00 0.00 C ATOM 1498 O VAL A 85 78.535 -10.135 4.547 1.00 0.00 O ATOM 1499 CB VAL A 85 79.295 -9.307 1.758 1.00 0.00 C ATOM 1500 CG1 VAL A 85 77.936 -8.707 1.392 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.306 -8.995 0.655 1.00 0.00 C ATOM 0 H VAL A 85 81.064 -10.257 3.685 1.00 0.00 H new ATOM 0 HA VAL A 85 79.894 -7.627 2.965 1.00 0.00 H new ATOM 0 HB VAL A 85 79.194 -10.387 1.866 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.590 -9.137 0.452 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.216 -8.929 2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.033 -7.627 1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 85 79.961 -9.422 -0.287 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.406 -7.915 0.548 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.273 -9.425 0.915 1.00 0.00 H new ATOM 1511 N TYR A 86 78.151 -7.925 4.687 1.00 0.00 N ATOM 1512 CA TYR A 86 77.153 -8.073 5.738 1.00 0.00 C ATOM 1513 C TYR A 86 75.771 -8.296 5.145 1.00 0.00 C ATOM 1514 O TYR A 86 75.414 -7.685 4.138 1.00 0.00 O ATOM 1515 CB TYR A 86 77.131 -6.827 6.633 1.00 0.00 C ATOM 1516 CG TYR A 86 75.741 -6.266 6.673 1.00 0.00 C ATOM 1517 CD1 TYR A 86 74.763 -6.927 7.393 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.441 -5.079 6.002 1.00 0.00 C ATOM 1519 CE1 TYR A 86 73.465 -6.405 7.457 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.146 -4.555 6.057 1.00 0.00 C ATOM 1521 CZ TYR A 86 73.156 -5.217 6.786 1.00 0.00 C ATOM 1522 OH TYR A 86 71.881 -4.697 6.847 1.00 0.00 O ATOM 0 H TYR A 86 78.324 -6.963 4.394 1.00 0.00 H new ATOM 0 HA TYR A 86 77.423 -8.943 6.337 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.461 -7.083 7.640 1.00 0.00 H new ATOM 0 HB3 TYR A 86 77.826 -6.079 6.251 1.00 0.00 H new ATOM 0 HD1 TYR A 86 75.000 -7.847 7.907 1.00 0.00 H new ATOM 0 HD2 TYR A 86 76.208 -4.566 5.441 1.00 0.00 H new ATOM 0 HE1 TYR A 86 72.703 -6.919 8.024 1.00 0.00 H new ATOM 0 HE2 TYR A 86 73.911 -3.639 5.536 1.00 0.00 H new ATOM 0 HH TYR A 86 71.840 -3.868 6.326 1.00 0.00 H new ATOM 1532 N VAL A 87 74.996 -9.169 5.790 1.00 0.00 N ATOM 1533 CA VAL A 87 73.644 -9.458 5.329 1.00 0.00 C ATOM 1534 C VAL A 87 72.625 -9.319 6.466 1.00 0.00 C ATOM 1535 O VAL A 87 72.831 -9.803 7.582 1.00 0.00 O ATOM 1536 CB VAL A 87 73.586 -10.874 4.747 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.325 -10.912 3.408 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.259 -11.847 5.714 1.00 0.00 C ATOM 0 H VAL A 87 75.280 -9.682 6.625 1.00 0.00 H new ATOM 0 HA VAL A 87 73.387 -8.734 4.556 1.00 0.00 H new ATOM 0 HB VAL A 87 72.544 -11.159 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.282 -11.921 2.997 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.855 -10.216 2.713 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.366 -10.626 3.559 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.219 -12.855 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.299 -11.555 5.859 1.00 0.00 H new ATOM 0 HG23 VAL A 87 73.740 -11.826 6.672 1.00 0.00 H new ATOM 1548 N TYR A 88 71.520 -8.653 6.172 1.00 0.00 N ATOM 1549 CA TYR A 88 70.475 -8.464 7.170 1.00 0.00 C ATOM 1550 C TYR A 88 69.569 -9.689 7.220 1.00 0.00 C ATOM 1551 O TYR A 88 69.980 -10.723 6.722 1.00 0.00 O ATOM 1552 CB TYR A 88 69.642 -7.225 6.841 1.00 0.00 C ATOM 1553 CG TYR A 88 69.203 -7.284 5.398 1.00 0.00 C ATOM 1554 CD1 TYR A 88 68.006 -7.925 5.056 1.00 0.00 C ATOM 1555 CD2 TYR A 88 69.990 -6.695 4.402 1.00 0.00 C ATOM 1556 CE1 TYR A 88 67.599 -7.981 3.718 1.00 0.00 C ATOM 1557 CE2 TYR A 88 69.583 -6.749 3.064 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.387 -7.391 2.722 1.00 0.00 C ATOM 1559 OH TYR A 88 67.985 -7.443 1.402 1.00 0.00 O ATOM 1560 OXT TYR A 88 68.479 -9.574 7.755 1.00 0.00 O ATOM 0 H TYR A 88 71.323 -8.238 5.262 1.00 0.00 H new ATOM 0 HA TYR A 88 70.948 -8.326 8.142 1.00 0.00 H new ATOM 0 HB2 TYR A 88 68.772 -7.174 7.495 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.227 -6.323 7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 88 67.397 -8.376 5.825 1.00 0.00 H new ATOM 0 HD2 TYR A 88 70.912 -6.198 4.666 1.00 0.00 H new ATOM 0 HE1 TYR A 88 66.678 -8.479 3.454 1.00 0.00 H new ATOM 0 HE2 TYR A 88 70.191 -6.295 2.296 1.00 0.00 H new ATOM 0 HH TYR A 88 68.645 -6.985 0.841 1.00 0.00 H new