USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 32 TYR OH : rot 56:sc= 0.356 USER MOD Set 1.2: A 42 LYS NZ :NH3+ -150:sc= -1.68! (180deg=-3.41!) USER MOD Set 1.3: A 60 GLN : amide:sc= -2.9 K(o=-4.2,f=-14!) USER MOD Set 2.1: A 25 TYR OH : rot -72:sc= 1.16 USER MOD Set 2.2: A 29 GLN :FLIP amide:sc= -0.0526 F(o=-0.8,f=1.1) USER MOD Single : A 10 SER OG : rot 24:sc= 0.116 USER MOD Single : A 12 SER OG : rot 180:sc= -0.252 USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= -0.159 (180deg=-0.86) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.679 USER MOD Single : A 23 ASN :FLIP amide:sc= -0.245 F(o=-1.4!,f=-0.24) USER MOD Single : A 28 GLN : amide:sc=-0.00941 K(o=-0.0094,f=-0.95) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -170:sc= -5.46! (180deg=-5.66!) USER MOD Single : A 40 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 43 GLN : amide:sc= -1.11 K(o=-1.1,f=-2.8!) USER MOD Single : A 46 MET CE :methyl -145:sc= 0 (180deg=-0.0502) USER MOD Single : A 53 THR OG1 : rot 114:sc= 0.22 USER MOD Single : A 55 TYR OH : rot -125:sc= 0.691 USER MOD Single : A 57 LYS NZ :NH3+ 145:sc= -0.18 (180deg=-1.05) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -1.69! C(o=-1.7!,f=-2.7!) USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0107 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -131:sc= 1.26 USER MOD Single : A 70 ASN : amide:sc= -1.01 K(o=-1,f=-3.2) USER MOD Single : A 71 LYS NZ :NH3+ 175:sc= -0.902 (180deg=-1.09) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc= -0.0157 X(o=-0.016,f=-0.37) USER MOD Single : A 82 LYS NZ :NH3+ -144:sc= -0.0772 (180deg=-0.352) USER MOD Single : A 84 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.301) USER MOD Single : A 86 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 74.860 -12.098 10.330 1.00 0.00 N ATOM 194 CA SER A 10 75.946 -12.970 9.905 1.00 0.00 C ATOM 195 C SER A 10 76.801 -12.287 8.841 1.00 0.00 C ATOM 196 O SER A 10 76.400 -11.280 8.257 1.00 0.00 O ATOM 197 CB SER A 10 75.384 -14.282 9.356 1.00 0.00 C ATOM 198 OG SER A 10 74.586 -14.905 10.354 1.00 0.00 O ATOM 0 HA SER A 10 76.573 -13.183 10.771 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.787 -14.091 8.464 1.00 0.00 H new ATOM 0 HB3 SER A 10 76.198 -14.944 9.059 1.00 0.00 H new ATOM 0 HG SER A 10 74.262 -14.228 10.984 1.00 0.00 H new ATOM 204 N ILE A 11 77.978 -12.848 8.591 1.00 0.00 N ATOM 205 CA ILE A 11 78.885 -12.301 7.588 1.00 0.00 C ATOM 206 C ILE A 11 79.429 -13.410 6.693 1.00 0.00 C ATOM 207 O ILE A 11 79.835 -14.465 7.180 1.00 0.00 O ATOM 208 CB ILE A 11 80.037 -11.552 8.260 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.474 -10.415 9.121 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.966 -10.973 7.190 1.00 0.00 C ATOM 211 CD1 ILE A 11 79.550 -10.800 10.599 1.00 0.00 C ATOM 0 H ILE A 11 78.327 -13.680 9.068 1.00 0.00 H new ATOM 0 HA ILE A 11 78.326 -11.599 6.969 1.00 0.00 H new ATOM 0 HB ILE A 11 80.599 -12.241 8.891 1.00 0.00 H new ATOM 0 HG12 ILE A 11 80.038 -9.499 8.945 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.440 -10.212 8.841 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.786 -10.440 7.670 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.367 -11.782 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.407 -10.284 6.557 1.00 0.00 H new ATOM 0 HD11 ILE A 11 79.149 -9.989 11.207 1.00 0.00 H new ATOM 0 HD12 ILE A 11 78.966 -11.705 10.770 1.00 0.00 H new ATOM 0 HD13 ILE A 11 80.589 -10.981 10.875 1.00 0.00 H new ATOM 223 N SER A 12 79.433 -13.161 5.385 1.00 0.00 N ATOM 224 CA SER A 12 79.928 -14.138 4.422 1.00 0.00 C ATOM 225 C SER A 12 81.052 -13.538 3.587 1.00 0.00 C ATOM 226 O SER A 12 81.379 -12.360 3.726 1.00 0.00 O ATOM 227 CB SER A 12 78.796 -14.596 3.503 1.00 0.00 C ATOM 228 OG SER A 12 79.315 -15.497 2.535 1.00 0.00 O ATOM 0 H SER A 12 79.099 -12.291 4.970 1.00 0.00 H new ATOM 0 HA SER A 12 80.313 -14.997 4.972 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.013 -15.081 4.085 1.00 0.00 H new ATOM 0 HB3 SER A 12 78.341 -13.737 3.010 1.00 0.00 H new ATOM 0 HG SER A 12 78.592 -15.795 1.944 1.00 0.00 H new ATOM 234 N ARG A 13 81.643 -14.355 2.722 1.00 0.00 N ATOM 235 CA ARG A 13 82.738 -13.897 1.870 1.00 0.00 C ATOM 236 C ARG A 13 82.310 -13.891 0.408 1.00 0.00 C ATOM 237 O ARG A 13 81.780 -14.879 -0.101 1.00 0.00 O ATOM 238 CB ARG A 13 83.948 -14.817 2.030 1.00 0.00 C ATOM 239 CG ARG A 13 84.769 -14.407 3.256 1.00 0.00 C ATOM 240 CD ARG A 13 83.910 -14.519 4.517 1.00 0.00 C ATOM 241 NE ARG A 13 84.745 -14.785 5.679 1.00 0.00 N ATOM 242 CZ ARG A 13 84.213 -14.902 6.891 1.00 0.00 C ATOM 243 NH1 ARG A 13 82.923 -14.771 7.055 1.00 0.00 N ATOM 244 NH2 ARG A 13 84.978 -15.149 7.917 1.00 0.00 N ATOM 0 H ARG A 13 81.385 -15.333 2.591 1.00 0.00 H new ATOM 0 HA ARG A 13 83.003 -12.884 2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.617 -15.850 2.135 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.569 -14.771 1.136 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.648 -15.045 3.346 1.00 0.00 H new ATOM 0 HG3 ARG A 13 85.128 -13.384 3.139 1.00 0.00 H new ATOM 0 HD2 ARG A 13 83.351 -13.595 4.667 1.00 0.00 H new ATOM 0 HD3 ARG A 13 83.179 -15.318 4.396 1.00 0.00 H new ATOM 0 HE ARG A 13 85.753 -14.883 5.561 1.00 0.00 H new ATOM 0 HH11 ARG A 13 82.324 -14.579 6.252 1.00 0.00 H new ATOM 0 HH12 ARG A 13 82.515 -14.861 7.986 1.00 0.00 H new ATOM 0 HH21 ARG A 13 85.985 -15.252 7.789 1.00 0.00 H new ATOM 0 HH22 ARG A 13 84.570 -15.239 8.847 1.00 0.00 H new ATOM 258 N ALA A 14 82.546 -12.770 -0.257 1.00 0.00 N ATOM 259 CA ALA A 14 82.189 -12.628 -1.663 1.00 0.00 C ATOM 260 C ALA A 14 83.009 -13.574 -2.527 1.00 0.00 C ATOM 261 O ALA A 14 84.144 -13.909 -2.188 1.00 0.00 O ATOM 262 CB ALA A 14 82.432 -11.195 -2.112 1.00 0.00 C ATOM 0 H ALA A 14 82.983 -11.945 0.153 1.00 0.00 H new ATOM 0 HA ALA A 14 81.134 -12.877 -1.776 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.164 -11.093 -3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 14 81.821 -10.518 -1.514 1.00 0.00 H new ATOM 0 HB3 ALA A 14 83.485 -10.946 -1.980 1.00 0.00 H new ATOM 268 N LYS A 15 82.429 -13.997 -3.646 1.00 0.00 N ATOM 269 CA LYS A 15 83.111 -14.901 -4.562 1.00 0.00 C ATOM 270 C LYS A 15 83.350 -14.202 -5.888 1.00 0.00 C ATOM 271 O LYS A 15 83.720 -14.833 -6.879 1.00 0.00 O ATOM 272 CB LYS A 15 82.269 -16.153 -4.788 1.00 0.00 C ATOM 273 CG LYS A 15 81.867 -16.757 -3.440 1.00 0.00 C ATOM 274 CD LYS A 15 83.116 -17.176 -2.659 1.00 0.00 C ATOM 275 CE LYS A 15 82.722 -18.164 -1.564 1.00 0.00 C ATOM 276 NZ LYS A 15 82.257 -19.432 -2.191 1.00 0.00 N ATOM 0 H LYS A 15 81.490 -13.728 -3.939 1.00 0.00 H new ATOM 0 HA LYS A 15 84.068 -15.190 -4.126 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.379 -15.904 -5.366 1.00 0.00 H new ATOM 0 HB3 LYS A 15 82.833 -16.882 -5.370 1.00 0.00 H new ATOM 0 HG2 LYS A 15 81.294 -16.031 -2.863 1.00 0.00 H new ATOM 0 HG3 LYS A 15 81.220 -17.620 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 15 83.843 -17.632 -3.331 1.00 0.00 H new ATOM 0 HD3 LYS A 15 83.594 -16.301 -2.219 1.00 0.00 H new ATOM 0 HE2 LYS A 15 83.572 -18.358 -0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 15 81.933 -17.741 -0.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 82.406 -20.221 -1.530 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 81.245 -19.356 -2.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 82.795 -19.605 -3.064 1.00 0.00 H new ATOM 290 N LYS A 16 83.177 -12.887 -5.886 1.00 0.00 N ATOM 291 CA LYS A 16 83.418 -12.102 -7.083 1.00 0.00 C ATOM 292 C LYS A 16 83.333 -10.605 -6.784 1.00 0.00 C ATOM 293 O LYS A 16 82.966 -10.199 -5.687 1.00 0.00 O ATOM 294 CB LYS A 16 82.437 -12.490 -8.194 1.00 0.00 C ATOM 295 CG LYS A 16 82.545 -11.533 -9.399 1.00 0.00 C ATOM 296 CD LYS A 16 83.938 -11.576 -10.039 1.00 0.00 C ATOM 297 CE LYS A 16 83.971 -10.611 -11.211 1.00 0.00 C ATOM 298 NZ LYS A 16 85.338 -10.621 -11.780 1.00 0.00 N ATOM 0 H LYS A 16 82.873 -12.348 -5.075 1.00 0.00 H new ATOM 0 HA LYS A 16 84.429 -12.319 -7.429 1.00 0.00 H new ATOM 0 HB2 LYS A 16 82.638 -13.511 -8.519 1.00 0.00 H new ATOM 0 HB3 LYS A 16 81.419 -12.474 -7.805 1.00 0.00 H new ATOM 0 HG2 LYS A 16 81.795 -11.800 -10.143 1.00 0.00 H new ATOM 0 HG3 LYS A 16 82.325 -10.516 -9.076 1.00 0.00 H new ATOM 0 HD2 LYS A 16 84.698 -11.305 -9.306 1.00 0.00 H new ATOM 0 HD3 LYS A 16 84.167 -12.587 -10.377 1.00 0.00 H new ATOM 0 HE2 LYS A 16 83.243 -10.905 -11.967 1.00 0.00 H new ATOM 0 HE3 LYS A 16 83.703 -9.606 -10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 85.383 -9.965 -12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 86.019 -10.323 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 85.573 -11.582 -12.102 1.00 0.00 H new ATOM 312 N TRP A 17 83.686 -9.802 -7.778 1.00 0.00 N ATOM 313 CA TRP A 17 83.662 -8.345 -7.653 1.00 0.00 C ATOM 314 C TRP A 17 82.384 -7.759 -8.233 1.00 0.00 C ATOM 315 O TRP A 17 82.068 -7.967 -9.404 1.00 0.00 O ATOM 316 CB TRP A 17 84.867 -7.728 -8.363 1.00 0.00 C ATOM 317 CG TRP A 17 84.704 -6.243 -8.383 1.00 0.00 C ATOM 318 CD1 TRP A 17 84.857 -5.436 -7.310 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.377 -5.372 -9.505 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.637 -4.130 -7.698 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.339 -4.037 -9.039 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.110 -5.605 -10.868 1.00 0.00 C ATOM 323 CZ2 TRP A 17 84.045 -2.974 -9.887 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.816 -4.533 -11.728 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.782 -3.221 -11.237 1.00 0.00 C ATOM 0 H TRP A 17 83.996 -10.136 -8.690 1.00 0.00 H new ATOM 0 HA TRP A 17 83.703 -8.108 -6.590 1.00 0.00 H new ATOM 0 HB2 TRP A 17 85.789 -8.000 -7.848 1.00 0.00 H new ATOM 0 HB3 TRP A 17 84.944 -8.113 -9.380 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.110 -5.760 -6.311 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.689 -3.330 -7.067 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.131 -6.613 -11.255 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 84.020 -1.964 -9.504 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.615 -4.721 -12.772 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.553 -2.401 -11.902 1.00 0.00 H new ATOM 336 N SER A 18 81.666 -7.009 -7.412 1.00 0.00 N ATOM 337 CA SER A 18 80.437 -6.381 -7.860 1.00 0.00 C ATOM 338 C SER A 18 80.174 -5.115 -7.056 1.00 0.00 C ATOM 339 O SER A 18 80.656 -4.970 -5.933 1.00 0.00 O ATOM 340 CB SER A 18 79.266 -7.351 -7.685 1.00 0.00 C ATOM 341 OG SER A 18 79.044 -7.574 -6.299 1.00 0.00 O ATOM 0 H SER A 18 81.912 -6.822 -6.440 1.00 0.00 H new ATOM 0 HA SER A 18 80.538 -6.121 -8.914 1.00 0.00 H new ATOM 0 HB2 SER A 18 78.368 -6.942 -8.148 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.482 -8.294 -8.187 1.00 0.00 H new ATOM 0 HG SER A 18 78.293 -8.194 -6.183 1.00 0.00 H new ATOM 347 N GLU A 19 79.421 -4.199 -7.646 1.00 0.00 N ATOM 348 CA GLU A 19 79.118 -2.942 -6.977 1.00 0.00 C ATOM 349 C GLU A 19 78.727 -3.198 -5.527 1.00 0.00 C ATOM 350 O GLU A 19 78.894 -2.334 -4.666 1.00 0.00 O ATOM 351 CB GLU A 19 77.971 -2.231 -7.703 1.00 0.00 C ATOM 352 CG GLU A 19 76.739 -3.141 -7.725 1.00 0.00 C ATOM 353 CD GLU A 19 75.583 -2.448 -8.436 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.736 -1.289 -8.784 1.00 0.00 O ATOM 355 OE2 GLU A 19 74.562 -3.088 -8.624 1.00 0.00 O ATOM 0 H GLU A 19 79.013 -4.299 -8.575 1.00 0.00 H new ATOM 0 HA GLU A 19 80.006 -2.310 -6.998 1.00 0.00 H new ATOM 0 HB2 GLU A 19 77.735 -1.293 -7.201 1.00 0.00 H new ATOM 0 HB3 GLU A 19 78.270 -1.981 -8.721 1.00 0.00 H new ATOM 0 HG2 GLU A 19 76.978 -4.076 -8.231 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.448 -3.396 -6.706 1.00 0.00 H new ATOM 362 N GLU A 20 78.226 -4.397 -5.260 1.00 0.00 N ATOM 363 CA GLU A 20 77.837 -4.758 -3.905 1.00 0.00 C ATOM 364 C GLU A 20 79.063 -4.908 -3.008 1.00 0.00 C ATOM 365 O GLU A 20 79.062 -4.462 -1.864 1.00 0.00 O ATOM 366 CB GLU A 20 77.057 -6.073 -3.924 1.00 0.00 C ATOM 367 CG GLU A 20 75.667 -5.833 -4.515 1.00 0.00 C ATOM 368 CD GLU A 20 74.814 -5.037 -3.533 1.00 0.00 C ATOM 369 OE1 GLU A 20 74.163 -5.657 -2.708 1.00 0.00 O ATOM 370 OE2 GLU A 20 74.825 -3.820 -3.621 1.00 0.00 O ATOM 0 H GLU A 20 78.081 -5.128 -5.956 1.00 0.00 H new ATOM 0 HA GLU A 20 77.209 -3.962 -3.506 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.592 -6.817 -4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.970 -6.471 -2.913 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.752 -5.292 -5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.187 -6.786 -4.737 1.00 0.00 H new ATOM 377 N ILE A 21 80.107 -5.544 -3.535 1.00 0.00 N ATOM 378 CA ILE A 21 81.325 -5.753 -2.754 1.00 0.00 C ATOM 379 C ILE A 21 82.076 -4.448 -2.607 1.00 0.00 C ATOM 380 O ILE A 21 82.356 -4.007 -1.493 1.00 0.00 O ATOM 381 CB ILE A 21 82.216 -6.790 -3.440 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.368 -8.000 -3.833 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.348 -7.234 -2.501 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.556 -8.492 -2.634 1.00 0.00 C ATOM 0 H ILE A 21 80.136 -5.918 -4.483 1.00 0.00 H new ATOM 0 HA ILE A 21 81.050 -6.119 -1.765 1.00 0.00 H new ATOM 0 HB ILE A 21 82.660 -6.344 -4.330 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.697 -7.733 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 21 82.012 -8.800 -4.198 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.971 -7.972 -3.006 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.955 -6.371 -2.230 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.921 -7.675 -1.600 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.957 -9.354 -2.929 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.233 -8.779 -1.829 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.898 -7.695 -2.288 1.00 0.00 H new ATOM 396 N GLU A 22 82.450 -3.849 -3.725 1.00 0.00 N ATOM 397 CA GLU A 22 83.206 -2.615 -3.673 1.00 0.00 C ATOM 398 C GLU A 22 82.574 -1.646 -2.698 1.00 0.00 C ATOM 399 O GLU A 22 83.255 -1.075 -1.854 1.00 0.00 O ATOM 400 CB GLU A 22 83.235 -1.985 -5.066 1.00 0.00 C ATOM 401 CG GLU A 22 83.902 -0.606 -5.016 1.00 0.00 C ATOM 402 CD GLU A 22 85.300 -0.718 -4.418 1.00 0.00 C ATOM 403 OE1 GLU A 22 85.903 -1.768 -4.561 1.00 0.00 O ATOM 404 OE2 GLU A 22 85.743 0.241 -3.813 1.00 0.00 O ATOM 0 H GLU A 22 82.246 -4.192 -4.664 1.00 0.00 H new ATOM 0 HA GLU A 22 84.220 -2.836 -3.340 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.778 -2.633 -5.754 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.219 -1.891 -5.451 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.961 -0.186 -6.020 1.00 0.00 H new ATOM 0 HG3 GLU A 22 83.297 0.077 -4.420 1.00 0.00 H new ATOM 411 N ASN A 23 81.271 -1.465 -2.810 1.00 0.00 N ATOM 412 CA ASN A 23 80.575 -0.551 -1.919 1.00 0.00 C ATOM 413 C ASN A 23 80.805 -0.941 -0.465 1.00 0.00 C ATOM 414 O ASN A 23 81.121 -0.093 0.369 1.00 0.00 O ATOM 415 CB ASN A 23 79.083 -0.588 -2.211 1.00 0.00 C ATOM 416 CG ASN A 23 78.347 0.241 -1.173 1.00 0.00 C ATOM 417 OD1 ASN A 23 78.097 -0.290 -0.010 1.00 0.00 O flip ATOM 418 ND2 ASN A 23 78.019 1.402 -1.416 1.00 0.00 N flip ATOM 0 H ASN A 23 80.679 -1.930 -3.498 1.00 0.00 H new ATOM 0 HA ASN A 23 80.963 0.454 -2.085 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.887 -0.198 -3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.723 -1.617 -2.193 1.00 0.00 H new ATOM 0 HD21 ASN A 23 78.220 1.808 -2.330 1.00 0.00 H new ATOM 0 HD22 ASN A 23 77.547 1.958 -0.703 1.00 0.00 H new ATOM 425 N LEU A 24 80.638 -2.224 -0.160 1.00 0.00 N ATOM 426 CA LEU A 24 80.831 -2.684 1.203 1.00 0.00 C ATOM 427 C LEU A 24 82.244 -2.397 1.654 1.00 0.00 C ATOM 428 O LEU A 24 82.458 -1.978 2.782 1.00 0.00 O ATOM 429 CB LEU A 24 80.543 -4.179 1.301 1.00 0.00 C ATOM 430 CG LEU A 24 79.032 -4.408 1.197 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.753 -5.901 1.033 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.322 -3.896 2.459 1.00 0.00 C ATOM 0 H LEU A 24 80.374 -2.949 -0.827 1.00 0.00 H new ATOM 0 HA LEU A 24 80.138 -2.150 1.854 1.00 0.00 H new ATOM 0 HB2 LEU A 24 81.060 -4.714 0.504 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.919 -4.573 2.245 1.00 0.00 H new ATOM 0 HG LEU A 24 78.655 -3.862 0.333 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.678 -6.064 0.959 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.238 -6.265 0.127 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.143 -6.441 1.896 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.249 -4.067 2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.701 -4.428 3.331 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.511 -2.829 2.575 1.00 0.00 H new ATOM 444 N TYR A 25 83.206 -2.595 0.771 1.00 0.00 N ATOM 445 CA TYR A 25 84.585 -2.313 1.120 1.00 0.00 C ATOM 446 C TYR A 25 84.746 -0.845 1.473 1.00 0.00 C ATOM 447 O TYR A 25 85.333 -0.505 2.500 1.00 0.00 O ATOM 448 CB TYR A 25 85.495 -2.669 -0.053 1.00 0.00 C ATOM 449 CG TYR A 25 86.886 -2.143 0.196 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.683 -2.701 1.203 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.386 -1.100 -0.595 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.977 -2.215 1.420 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.678 -0.614 -0.377 1.00 0.00 C ATOM 454 CZ TYR A 25 89.474 -1.171 0.630 1.00 0.00 C ATOM 455 OH TYR A 25 90.748 -0.692 0.844 1.00 0.00 O ATOM 0 H TYR A 25 83.062 -2.944 -0.177 1.00 0.00 H new ATOM 0 HA TYR A 25 84.862 -2.914 1.986 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.525 -3.750 -0.186 1.00 0.00 H new ATOM 0 HB3 TYR A 25 85.097 -2.245 -0.975 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.299 -3.506 1.812 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.772 -0.671 -1.374 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.592 -2.645 2.197 1.00 0.00 H new ATOM 0 HE2 TYR A 25 89.062 0.191 -0.986 1.00 0.00 H new ATOM 0 HH TYR A 25 90.770 -0.184 1.682 1.00 0.00 H new ATOM 465 N ARG A 26 84.226 0.024 0.614 1.00 0.00 N ATOM 466 CA ARG A 26 84.334 1.453 0.851 1.00 0.00 C ATOM 467 C ARG A 26 83.629 1.827 2.152 1.00 0.00 C ATOM 468 O ARG A 26 84.173 2.569 2.969 1.00 0.00 O ATOM 469 CB ARG A 26 83.698 2.221 -0.311 1.00 0.00 C ATOM 470 CG ARG A 26 84.480 1.951 -1.600 1.00 0.00 C ATOM 471 CD ARG A 26 83.946 2.843 -2.722 1.00 0.00 C ATOM 472 NE ARG A 26 84.612 2.519 -3.977 1.00 0.00 N ATOM 473 CZ ARG A 26 84.483 3.295 -5.044 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.764 4.379 -4.976 1.00 0.00 N ATOM 475 NH2 ARG A 26 85.075 2.970 -6.161 1.00 0.00 N ATOM 0 H ARG A 26 83.732 -0.234 -0.241 1.00 0.00 H new ATOM 0 HA ARG A 26 85.389 1.716 0.928 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.659 1.917 -0.435 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.694 3.289 -0.094 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.541 2.145 -1.441 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.387 0.902 -1.881 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.870 2.705 -2.826 1.00 0.00 H new ATOM 0 HD3 ARG A 26 84.111 3.891 -2.474 1.00 0.00 H new ATOM 0 HE ARG A 26 85.188 1.679 -4.036 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.301 4.630 -4.102 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.664 4.977 -5.796 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.636 2.120 -6.212 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.976 3.566 -6.983 1.00 0.00 H new ATOM 489 N PHE A 27 82.420 1.302 2.347 1.00 0.00 N ATOM 490 CA PHE A 27 81.659 1.588 3.559 1.00 0.00 C ATOM 491 C PHE A 27 82.386 1.045 4.787 1.00 0.00 C ATOM 492 O PHE A 27 82.560 1.748 5.783 1.00 0.00 O ATOM 493 CB PHE A 27 80.270 0.958 3.444 1.00 0.00 C ATOM 494 CG PHE A 27 79.300 1.980 2.909 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.425 2.464 1.599 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.280 2.450 3.730 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.525 3.425 1.123 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.385 3.404 3.256 1.00 0.00 C ATOM 499 CZ PHE A 27 77.505 3.898 1.954 1.00 0.00 C ATOM 0 H PHE A 27 81.951 0.682 1.687 1.00 0.00 H new ATOM 0 HA PHE A 27 81.559 2.667 3.673 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.305 0.092 2.783 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.938 0.601 4.419 1.00 0.00 H new ATOM 0 HD1 PHE A 27 80.213 2.096 0.959 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.183 2.074 4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.619 3.801 0.115 1.00 0.00 H new ATOM 0 HE2 PHE A 27 76.594 3.764 3.897 1.00 0.00 H new ATOM 0 HZ PHE A 27 76.812 4.643 1.591 1.00 0.00 H new ATOM 509 N GLN A 28 82.797 -0.213 4.702 1.00 0.00 N ATOM 510 CA GLN A 28 83.498 -0.860 5.804 1.00 0.00 C ATOM 511 C GLN A 28 84.762 -0.089 6.143 1.00 0.00 C ATOM 512 O GLN A 28 85.092 0.091 7.314 1.00 0.00 O ATOM 513 CB GLN A 28 83.858 -2.305 5.432 1.00 0.00 C ATOM 514 CG GLN A 28 82.611 -3.194 5.479 1.00 0.00 C ATOM 515 CD GLN A 28 82.927 -4.565 4.886 1.00 0.00 C ATOM 516 OE1 GLN A 28 84.078 -5.002 4.910 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.968 -5.274 4.358 1.00 0.00 N ATOM 0 H GLN A 28 82.658 -0.805 3.883 1.00 0.00 H new ATOM 0 HA GLN A 28 82.841 -0.871 6.674 1.00 0.00 H new ATOM 0 HB2 GLN A 28 84.295 -2.332 4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.612 -2.688 6.120 1.00 0.00 H new ATOM 0 HG2 GLN A 28 82.270 -3.303 6.509 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.799 -2.726 4.923 1.00 0.00 H new ATOM 0 HE21 GLN A 28 81.015 -4.910 4.339 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.171 -6.193 3.964 1.00 0.00 H new ATOM 526 N GLN A 29 85.453 0.388 5.120 1.00 0.00 N ATOM 527 CA GLN A 29 86.665 1.160 5.340 1.00 0.00 C ATOM 528 C GLN A 29 86.343 2.414 6.150 1.00 0.00 C ATOM 529 O GLN A 29 87.072 2.772 7.075 1.00 0.00 O ATOM 530 CB GLN A 29 87.273 1.551 3.991 1.00 0.00 C ATOM 531 CG GLN A 29 87.970 0.339 3.371 1.00 0.00 C ATOM 532 CD GLN A 29 89.378 0.210 3.937 1.00 0.00 C ATOM 533 OE1 GLN A 29 90.392 0.641 3.237 1.00 0.00 O flip ATOM 534 NE2 GLN A 29 89.560 -0.294 5.045 1.00 0.00 N flip ATOM 0 H GLN A 29 85.200 0.257 4.141 1.00 0.00 H new ATOM 0 HA GLN A 29 87.382 0.556 5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.494 1.917 3.322 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.986 2.364 4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.400 -0.566 3.579 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.012 0.447 2.287 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.765 -0.630 5.589 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.505 -0.376 5.419 1.00 0.00 H new ATOM 543 N ALA A 30 85.241 3.067 5.800 1.00 0.00 N ATOM 544 CA ALA A 30 84.820 4.273 6.506 1.00 0.00 C ATOM 545 C ALA A 30 84.266 3.916 7.883 1.00 0.00 C ATOM 546 O ALA A 30 84.128 4.779 8.750 1.00 0.00 O ATOM 547 CB ALA A 30 83.754 5.021 5.703 1.00 0.00 C ATOM 0 H ALA A 30 84.626 2.785 5.037 1.00 0.00 H new ATOM 0 HA ALA A 30 85.691 4.918 6.626 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.452 5.917 6.245 1.00 0.00 H new ATOM 0 HB2 ALA A 30 84.161 5.304 4.732 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.888 4.376 5.559 1.00 0.00 H new ATOM 553 N GLY A 31 83.946 2.634 8.070 1.00 0.00 N ATOM 554 CA GLY A 31 83.402 2.157 9.341 1.00 0.00 C ATOM 555 C GLY A 31 81.882 1.991 9.274 1.00 0.00 C ATOM 556 O GLY A 31 81.238 1.663 10.270 1.00 0.00 O ATOM 0 H GLY A 31 84.054 1.910 7.359 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.862 1.203 9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.658 2.860 10.134 1.00 0.00 H new ATOM 560 N TYR A 32 81.318 2.229 8.094 1.00 0.00 N ATOM 561 CA TYR A 32 79.878 2.118 7.886 1.00 0.00 C ATOM 562 C TYR A 32 79.531 0.735 7.365 1.00 0.00 C ATOM 563 O TYR A 32 80.306 0.107 6.646 1.00 0.00 O ATOM 564 CB TYR A 32 79.447 3.196 6.897 1.00 0.00 C ATOM 565 CG TYR A 32 79.759 4.602 7.430 1.00 0.00 C ATOM 566 CD1 TYR A 32 80.236 4.829 8.750 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.613 5.699 6.566 1.00 0.00 C ATOM 568 CE1 TYR A 32 80.543 6.123 9.171 1.00 0.00 C ATOM 569 CE2 TYR A 32 79.924 6.993 7.009 1.00 0.00 C ATOM 570 CZ TYR A 32 80.388 7.196 8.310 1.00 0.00 C ATOM 571 OH TYR A 32 80.706 8.456 8.755 1.00 0.00 O ATOM 0 H TYR A 32 81.841 2.502 7.262 1.00 0.00 H new ATOM 0 HA TYR A 32 79.350 2.260 8.829 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.957 3.044 5.946 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.378 3.108 6.703 1.00 0.00 H new ATOM 0 HD1 TYR A 32 80.361 3.998 9.428 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.260 5.546 5.557 1.00 0.00 H new ATOM 0 HE1 TYR A 32 80.904 6.289 10.175 1.00 0.00 H new ATOM 0 HE2 TYR A 32 79.804 7.834 6.342 1.00 0.00 H new ATOM 0 HH TYR A 32 81.632 8.466 9.075 1.00 0.00 H new ATOM 581 N ARG A 33 78.366 0.263 7.769 1.00 0.00 N ATOM 582 CA ARG A 33 77.911 -1.062 7.375 1.00 0.00 C ATOM 583 C ARG A 33 77.340 -1.030 5.968 1.00 0.00 C ATOM 584 O ARG A 33 77.588 -1.929 5.167 1.00 0.00 O ATOM 585 CB ARG A 33 76.840 -1.571 8.347 1.00 0.00 C ATOM 586 CG ARG A 33 76.160 -0.383 9.030 1.00 0.00 C ATOM 587 CD ARG A 33 77.013 0.123 10.206 1.00 0.00 C ATOM 588 NE ARG A 33 78.367 -0.406 10.121 1.00 0.00 N ATOM 589 CZ ARG A 33 79.256 -0.191 11.080 1.00 0.00 C ATOM 590 NH1 ARG A 33 78.931 0.516 12.128 1.00 0.00 N ATOM 591 NH2 ARG A 33 80.456 -0.689 10.972 1.00 0.00 N ATOM 0 H ARG A 33 77.718 0.774 8.368 1.00 0.00 H new ATOM 0 HA ARG A 33 78.767 -1.736 7.399 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.101 -2.167 7.811 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.293 -2.223 9.094 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.010 0.421 8.310 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.174 -0.678 9.389 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.041 1.213 10.200 1.00 0.00 H new ATOM 0 HD3 ARG A 33 76.557 -0.178 11.149 1.00 0.00 H new ATOM 0 HE ARG A 33 78.637 -0.955 9.305 1.00 0.00 H new ATOM 0 HH11 ARG A 33 77.991 0.904 12.210 1.00 0.00 H new ATOM 0 HH12 ARG A 33 79.617 0.680 12.865 1.00 0.00 H new ATOM 0 HH21 ARG A 33 80.707 -1.241 10.152 1.00 0.00 H new ATOM 0 HH22 ARG A 33 81.144 -0.526 11.707 1.00 0.00 H new ATOM 605 N ASP A 34 76.569 0.009 5.677 1.00 0.00 N ATOM 606 CA ASP A 34 75.958 0.152 4.364 1.00 0.00 C ATOM 607 C ASP A 34 75.323 1.531 4.212 1.00 0.00 C ATOM 608 O ASP A 34 75.367 2.353 5.136 1.00 0.00 O ATOM 609 CB ASP A 34 74.908 -0.943 4.152 1.00 0.00 C ATOM 610 CG ASP A 34 74.410 -0.919 2.712 1.00 0.00 C ATOM 611 OD1 ASP A 34 75.011 -1.583 1.884 1.00 0.00 O ATOM 612 OD2 ASP A 34 73.433 -0.232 2.456 1.00 0.00 O ATOM 0 H ASP A 34 76.353 0.762 6.330 1.00 0.00 H new ATOM 0 HA ASP A 34 76.735 0.049 3.607 1.00 0.00 H new ATOM 0 HB2 ASP A 34 75.337 -1.919 4.380 1.00 0.00 H new ATOM 0 HB3 ASP A 34 74.073 -0.794 4.836 1.00 0.00 H new ATOM 617 N GLU A 35 74.735 1.773 3.040 1.00 0.00 N ATOM 618 CA GLU A 35 74.101 3.055 2.749 1.00 0.00 C ATOM 619 C GLU A 35 73.226 3.491 3.910 1.00 0.00 C ATOM 620 O GLU A 35 73.014 4.683 4.117 1.00 0.00 O ATOM 621 CB GLU A 35 73.244 2.934 1.497 1.00 0.00 C ATOM 622 CG GLU A 35 74.141 2.755 0.271 1.00 0.00 C ATOM 623 CD GLU A 35 73.282 2.549 -0.972 1.00 0.00 C ATOM 624 OE1 GLU A 35 72.080 2.410 -0.819 1.00 0.00 O ATOM 625 OE2 GLU A 35 73.839 2.533 -2.057 1.00 0.00 O ATOM 0 H GLU A 35 74.686 1.097 2.278 1.00 0.00 H new ATOM 0 HA GLU A 35 74.883 3.798 2.592 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.566 2.086 1.590 1.00 0.00 H new ATOM 0 HB3 GLU A 35 72.626 3.825 1.380 1.00 0.00 H new ATOM 0 HG2 GLU A 35 74.777 3.631 0.144 1.00 0.00 H new ATOM 0 HG3 GLU A 35 74.801 1.900 0.414 1.00 0.00 H new ATOM 632 N ILE A 36 72.712 2.527 4.663 1.00 0.00 N ATOM 633 CA ILE A 36 71.852 2.848 5.795 1.00 0.00 C ATOM 634 C ILE A 36 72.580 3.741 6.800 1.00 0.00 C ATOM 635 O ILE A 36 72.046 4.761 7.231 1.00 0.00 O ATOM 636 CB ILE A 36 71.440 1.554 6.493 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.499 0.758 5.586 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.732 1.885 7.807 1.00 0.00 C ATOM 639 CD1 ILE A 36 70.323 -0.656 6.146 1.00 0.00 C ATOM 0 H ILE A 36 72.872 1.531 4.514 1.00 0.00 H new ATOM 0 HA ILE A 36 70.976 3.380 5.424 1.00 0.00 H new ATOM 0 HB ILE A 36 72.328 0.957 6.702 1.00 0.00 H new ATOM 0 HG12 ILE A 36 69.532 1.257 5.520 1.00 0.00 H new ATOM 0 HG13 ILE A 36 70.904 0.712 4.575 1.00 0.00 H new ATOM 0 HG21 ILE A 36 70.438 0.961 8.305 1.00 0.00 H new ATOM 0 HG22 ILE A 36 71.407 2.446 8.453 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.845 2.484 7.601 1.00 0.00 H new ATOM 0 HD11 ILE A 36 69.653 -1.223 5.500 1.00 0.00 H new ATOM 0 HD12 ILE A 36 71.292 -1.153 6.189 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.899 -0.600 7.149 1.00 0.00 H new ATOM 651 N GLU A 37 73.799 3.364 7.172 1.00 0.00 N ATOM 652 CA GLU A 37 74.571 4.160 8.127 1.00 0.00 C ATOM 653 C GLU A 37 74.970 5.503 7.533 1.00 0.00 C ATOM 654 O GLU A 37 74.901 6.533 8.202 1.00 0.00 O ATOM 655 CB GLU A 37 75.824 3.394 8.555 1.00 0.00 C ATOM 656 CG GLU A 37 76.644 4.216 9.558 1.00 0.00 C ATOM 657 CD GLU A 37 75.817 4.473 10.810 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.918 3.690 11.069 1.00 0.00 O ATOM 659 OE2 GLU A 37 76.087 5.451 11.487 1.00 0.00 O ATOM 0 H GLU A 37 74.271 2.525 6.834 1.00 0.00 H new ATOM 0 HA GLU A 37 73.940 4.345 8.996 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.539 2.442 9.003 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.433 3.165 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 37 77.559 3.683 9.818 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.944 5.162 9.108 1.00 0.00 H new ATOM 666 N TYR A 38 75.403 5.486 6.282 1.00 0.00 N ATOM 667 CA TYR A 38 75.830 6.719 5.632 1.00 0.00 C ATOM 668 C TYR A 38 74.708 7.736 5.600 1.00 0.00 C ATOM 669 O TYR A 38 74.914 8.906 5.927 1.00 0.00 O ATOM 670 CB TYR A 38 76.305 6.438 4.217 1.00 0.00 C ATOM 671 CG TYR A 38 76.560 7.737 3.502 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.633 8.539 3.894 1.00 0.00 C ATOM 673 CD2 TYR A 38 75.747 8.128 2.436 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.897 9.735 3.223 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.009 9.329 1.767 1.00 0.00 C ATOM 676 CZ TYR A 38 77.084 10.130 2.159 1.00 0.00 C ATOM 677 OH TYR A 38 77.345 11.309 1.492 1.00 0.00 O ATOM 0 H TYR A 38 75.468 4.649 5.703 1.00 0.00 H new ATOM 0 HA TYR A 38 76.656 7.131 6.213 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.216 5.840 4.241 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.555 5.857 3.680 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.261 8.234 4.718 1.00 0.00 H new ATOM 0 HD2 TYR A 38 74.919 7.506 2.129 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.729 10.353 3.527 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.379 9.637 0.946 1.00 0.00 H new ATOM 0 HH TYR A 38 76.685 11.434 0.778 1.00 0.00 H new ATOM 687 N LYS A 39 73.523 7.302 5.207 1.00 0.00 N ATOM 688 CA LYS A 39 72.382 8.203 5.147 1.00 0.00 C ATOM 689 C LYS A 39 72.062 8.766 6.527 1.00 0.00 C ATOM 690 O LYS A 39 71.730 9.941 6.667 1.00 0.00 O ATOM 691 CB LYS A 39 71.163 7.453 4.605 1.00 0.00 C ATOM 692 CG LYS A 39 71.354 7.177 3.111 1.00 0.00 C ATOM 693 CD LYS A 39 70.116 6.469 2.560 1.00 0.00 C ATOM 694 CE LYS A 39 70.189 6.426 1.033 1.00 0.00 C ATOM 695 NZ LYS A 39 71.362 5.617 0.609 1.00 0.00 N ATOM 0 H LYS A 39 73.325 6.341 4.927 1.00 0.00 H new ATOM 0 HA LYS A 39 72.631 9.031 4.484 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.031 6.515 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.260 8.043 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.519 8.112 2.576 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.239 6.560 2.955 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.055 5.457 2.960 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.214 6.992 2.877 1.00 0.00 H new ATOM 0 HE2 LYS A 39 69.273 5.996 0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 39 70.270 7.437 0.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 71.508 5.728 -0.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 72.209 5.941 1.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 71.190 4.615 0.828 1.00 0.00 H new ATOM 709 N GLN A 40 72.167 7.921 7.544 1.00 0.00 N ATOM 710 CA GLN A 40 71.890 8.354 8.906 1.00 0.00 C ATOM 711 C GLN A 40 72.868 9.443 9.332 1.00 0.00 C ATOM 712 O GLN A 40 72.477 10.431 9.953 1.00 0.00 O ATOM 713 CB GLN A 40 71.993 7.166 9.866 1.00 0.00 C ATOM 714 CG GLN A 40 71.603 7.609 11.281 1.00 0.00 C ATOM 715 CD GLN A 40 71.599 6.407 12.220 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.779 5.272 11.780 1.00 0.00 O ATOM 717 NE2 GLN A 40 71.401 6.590 13.497 1.00 0.00 N ATOM 0 H GLN A 40 72.439 6.942 7.453 1.00 0.00 H new ATOM 0 HA GLN A 40 70.878 8.758 8.939 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.339 6.360 9.534 1.00 0.00 H new ATOM 0 HB3 GLN A 40 73.009 6.772 9.865 1.00 0.00 H new ATOM 0 HG2 GLN A 40 72.305 8.361 11.642 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.617 8.074 11.267 1.00 0.00 H new ATOM 0 HE21 GLN A 40 71.252 7.531 13.860 1.00 0.00 H new ATOM 0 HE22 GLN A 40 71.395 5.792 14.132 1.00 0.00 H new ATOM 726 N VAL A 41 74.144 9.264 8.996 1.00 0.00 N ATOM 727 CA VAL A 41 75.163 10.241 9.369 1.00 0.00 C ATOM 728 C VAL A 41 74.901 11.577 8.686 1.00 0.00 C ATOM 729 O VAL A 41 75.011 12.634 9.306 1.00 0.00 O ATOM 730 CB VAL A 41 76.547 9.721 8.958 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.642 10.732 9.328 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.827 8.392 9.664 1.00 0.00 C ATOM 0 H VAL A 41 74.493 8.461 8.472 1.00 0.00 H new ATOM 0 HA VAL A 41 75.127 10.386 10.449 1.00 0.00 H new ATOM 0 HB VAL A 41 76.554 9.577 7.878 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.614 10.342 9.027 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.455 11.675 8.815 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.635 10.898 10.405 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.810 8.024 9.371 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.802 8.541 10.743 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.068 7.663 9.381 1.00 0.00 H new ATOM 742 N LYS A 42 74.563 11.526 7.405 1.00 0.00 N ATOM 743 CA LYS A 42 74.300 12.744 6.656 1.00 0.00 C ATOM 744 C LYS A 42 72.824 13.104 6.724 1.00 0.00 C ATOM 745 O LYS A 42 72.408 14.148 6.223 1.00 0.00 O ATOM 746 CB LYS A 42 74.725 12.567 5.197 1.00 0.00 C ATOM 747 CG LYS A 42 76.242 12.750 5.059 1.00 0.00 C ATOM 748 CD LYS A 42 76.968 11.888 6.089 1.00 0.00 C ATOM 749 CE LYS A 42 78.476 11.844 5.799 1.00 0.00 C ATOM 750 NZ LYS A 42 79.200 12.607 6.853 1.00 0.00 N ATOM 0 H LYS A 42 74.466 10.664 6.869 1.00 0.00 H new ATOM 0 HA LYS A 42 74.878 13.554 7.101 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.438 11.576 4.845 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.206 13.291 4.569 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.560 12.475 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 42 76.504 13.798 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 42 76.797 12.287 7.089 1.00 0.00 H new ATOM 0 HD3 LYS A 42 76.561 10.877 6.075 1.00 0.00 H new ATOM 0 HE2 LYS A 42 78.824 10.811 5.777 1.00 0.00 H new ATOM 0 HE3 LYS A 42 78.682 12.271 4.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.068 13.016 6.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.590 13.370 7.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.448 11.968 7.635 1.00 0.00 H new ATOM 764 N GLN A 43 72.032 12.239 7.349 1.00 0.00 N ATOM 765 CA GLN A 43 70.603 12.495 7.469 1.00 0.00 C ATOM 766 C GLN A 43 69.994 12.797 6.101 1.00 0.00 C ATOM 767 O GLN A 43 69.254 13.768 5.944 1.00 0.00 O ATOM 768 CB GLN A 43 70.363 13.678 8.405 1.00 0.00 C ATOM 769 CG GLN A 43 70.993 13.391 9.769 1.00 0.00 C ATOM 770 CD GLN A 43 70.128 12.404 10.544 1.00 0.00 C ATOM 771 OE1 GLN A 43 70.082 11.221 10.210 1.00 0.00 O ATOM 772 NE2 GLN A 43 69.437 12.826 11.567 1.00 0.00 N ATOM 0 H GLN A 43 72.350 11.368 7.774 1.00 0.00 H new ATOM 0 HA GLN A 43 70.127 11.604 7.878 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.792 14.585 7.979 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.293 13.854 8.517 1.00 0.00 H new ATOM 0 HG2 GLN A 43 71.995 12.984 9.638 1.00 0.00 H new ATOM 0 HG3 GLN A 43 71.097 14.318 10.333 1.00 0.00 H new ATOM 0 HE21 GLN A 43 69.478 13.808 11.840 1.00 0.00 H new ATOM 0 HE22 GLN A 43 68.856 12.174 12.094 1.00 0.00 H new ATOM 781 N VAL A 44 70.311 11.957 5.119 1.00 0.00 N ATOM 782 CA VAL A 44 69.796 12.131 3.761 1.00 0.00 C ATOM 783 C VAL A 44 69.058 10.878 3.308 1.00 0.00 C ATOM 784 O VAL A 44 68.825 9.963 4.098 1.00 0.00 O ATOM 785 CB VAL A 44 70.939 12.431 2.789 1.00 0.00 C ATOM 786 CG1 VAL A 44 71.545 13.794 3.113 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.010 11.354 2.926 1.00 0.00 C ATOM 0 H VAL A 44 70.922 11.149 5.237 1.00 0.00 H new ATOM 0 HA VAL A 44 69.103 12.972 3.766 1.00 0.00 H new ATOM 0 HB VAL A 44 70.556 12.441 1.769 1.00 0.00 H new ATOM 0 HG11 VAL A 44 72.359 14.005 2.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 70.779 14.564 3.019 1.00 0.00 H new ATOM 0 HG13 VAL A 44 71.930 13.788 4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 44 72.827 11.563 2.235 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.391 11.348 3.947 1.00 0.00 H new ATOM 0 HG23 VAL A 44 71.579 10.380 2.694 1.00 0.00 H new ATOM 797 N ALA A 45 68.682 10.851 2.034 1.00 0.00 N ATOM 798 CA ALA A 45 67.956 9.712 1.482 1.00 0.00 C ATOM 799 C ALA A 45 68.548 9.290 0.142 1.00 0.00 C ATOM 800 O ALA A 45 67.885 8.629 -0.659 1.00 0.00 O ATOM 801 CB ALA A 45 66.484 10.078 1.299 1.00 0.00 C ATOM 0 H ALA A 45 68.866 11.600 1.367 1.00 0.00 H new ATOM 0 HA ALA A 45 68.043 8.878 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 45 65.945 9.225 0.887 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.053 10.347 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 45 66.401 10.924 0.616 1.00 0.00 H new ATOM 807 N MET A 46 69.793 9.679 -0.099 1.00 0.00 N ATOM 808 CA MET A 46 70.462 9.338 -1.348 1.00 0.00 C ATOM 809 C MET A 46 71.977 9.417 -1.188 1.00 0.00 C ATOM 810 O MET A 46 72.479 10.166 -0.351 1.00 0.00 O ATOM 811 CB MET A 46 70.013 10.295 -2.452 1.00 0.00 C ATOM 812 CG MET A 46 70.323 11.740 -2.042 1.00 0.00 C ATOM 813 SD MET A 46 72.057 12.116 -2.402 1.00 0.00 S ATOM 814 CE MET A 46 71.847 12.526 -4.153 1.00 0.00 C ATOM 0 H MET A 46 70.358 10.228 0.549 1.00 0.00 H new ATOM 0 HA MET A 46 70.193 8.316 -1.616 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.523 10.054 -3.385 1.00 0.00 H new ATOM 0 HB3 MET A 46 68.944 10.180 -2.634 1.00 0.00 H new ATOM 0 HG2 MET A 46 69.672 12.429 -2.580 1.00 0.00 H new ATOM 0 HG3 MET A 46 70.124 11.878 -0.979 1.00 0.00 H new ATOM 0 HE1 MET A 46 72.723 12.196 -4.712 1.00 0.00 H new ATOM 0 HE2 MET A 46 70.960 12.025 -4.540 1.00 0.00 H new ATOM 0 HE3 MET A 46 71.732 13.604 -4.263 1.00 0.00 H new ATOM 824 N VAL A 47 72.696 8.636 -1.992 1.00 0.00 N ATOM 825 CA VAL A 47 74.152 8.620 -1.927 1.00 0.00 C ATOM 826 C VAL A 47 74.741 9.243 -3.184 1.00 0.00 C ATOM 827 O VAL A 47 74.271 8.986 -4.291 1.00 0.00 O ATOM 828 CB VAL A 47 74.659 7.184 -1.782 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.161 7.197 -1.491 1.00 0.00 C ATOM 830 CG2 VAL A 47 73.911 6.493 -0.640 1.00 0.00 C ATOM 0 H VAL A 47 72.295 8.011 -2.691 1.00 0.00 H new ATOM 0 HA VAL A 47 74.466 9.200 -1.059 1.00 0.00 H new ATOM 0 HB VAL A 47 74.481 6.638 -2.709 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.521 6.173 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.686 7.685 -2.312 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.348 7.742 -0.566 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.271 5.470 -0.536 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.085 7.035 0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 47 72.843 6.481 -0.859 1.00 0.00 H new ATOM 840 N ASP A 48 75.763 10.074 -3.010 1.00 0.00 N ATOM 841 CA ASP A 48 76.401 10.730 -4.141 1.00 0.00 C ATOM 842 C ASP A 48 77.290 9.748 -4.896 1.00 0.00 C ATOM 843 O ASP A 48 78.188 9.137 -4.316 1.00 0.00 O ATOM 844 CB ASP A 48 77.241 11.904 -3.646 1.00 0.00 C ATOM 845 CG ASP A 48 76.336 13.041 -3.185 1.00 0.00 C ATOM 846 OD1 ASP A 48 75.152 12.984 -3.476 1.00 0.00 O ATOM 847 OD2 ASP A 48 76.839 13.954 -2.553 1.00 0.00 O ATOM 0 H ASP A 48 76.164 10.307 -2.102 1.00 0.00 H new ATOM 0 HA ASP A 48 75.627 11.093 -4.817 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.880 11.582 -2.824 1.00 0.00 H new ATOM 0 HB3 ASP A 48 77.898 12.252 -4.443 1.00 0.00 H new ATOM 852 N ARG A 49 77.035 9.603 -6.193 1.00 0.00 N ATOM 853 CA ARG A 49 77.820 8.688 -7.013 1.00 0.00 C ATOM 854 C ARG A 49 78.028 9.259 -8.410 1.00 0.00 C ATOM 855 O ARG A 49 77.412 10.259 -8.772 1.00 0.00 O ATOM 856 CB ARG A 49 77.109 7.343 -7.120 1.00 0.00 C ATOM 857 CG ARG A 49 76.484 6.988 -5.773 1.00 0.00 C ATOM 858 CD ARG A 49 76.022 5.532 -5.781 1.00 0.00 C ATOM 859 NE ARG A 49 77.145 4.641 -5.516 1.00 0.00 N ATOM 860 CZ ARG A 49 76.967 3.327 -5.412 1.00 0.00 C ATOM 861 NH1 ARG A 49 75.774 2.820 -5.547 1.00 0.00 N ATOM 862 NH2 ARG A 49 77.986 2.546 -5.177 1.00 0.00 N ATOM 0 H ARG A 49 76.299 10.101 -6.694 1.00 0.00 H new ATOM 0 HA ARG A 49 78.792 8.553 -6.538 1.00 0.00 H new ATOM 0 HB2 ARG A 49 76.339 7.387 -7.890 1.00 0.00 H new ATOM 0 HB3 ARG A 49 77.816 6.569 -7.420 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.209 7.144 -4.974 1.00 0.00 H new ATOM 0 HG3 ARG A 49 75.639 7.646 -5.570 1.00 0.00 H new ATOM 0 HD2 ARG A 49 75.248 5.385 -5.028 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.578 5.290 -6.746 1.00 0.00 H new ATOM 0 HE ARG A 49 78.081 5.031 -5.409 1.00 0.00 H new ATOM 0 HH11 ARG A 49 74.978 3.431 -5.732 1.00 0.00 H new ATOM 0 HH12 ARG A 49 75.636 1.813 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 49 78.920 2.943 -5.073 1.00 0.00 H new ATOM 0 HH22 ARG A 49 77.849 1.538 -5.097 1.00 0.00 H new ATOM 876 N TRP A 50 78.897 8.626 -9.193 1.00 0.00 N ATOM 877 CA TRP A 50 79.158 9.108 -10.548 1.00 0.00 C ATOM 878 C TRP A 50 78.314 8.350 -11.579 1.00 0.00 C ATOM 879 O TRP A 50 78.104 7.156 -11.448 1.00 0.00 O ATOM 880 CB TRP A 50 80.628 8.930 -10.896 1.00 0.00 C ATOM 881 CG TRP A 50 81.457 9.750 -9.971 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.932 9.336 -8.775 1.00 0.00 C ATOM 883 CD2 TRP A 50 81.916 11.121 -10.142 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.650 10.369 -8.202 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.676 11.482 -9.009 1.00 0.00 C ATOM 886 CE3 TRP A 50 81.749 12.077 -11.160 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.254 12.741 -8.887 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.326 13.351 -11.037 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.080 13.680 -9.901 1.00 0.00 C ATOM 0 H TRP A 50 79.423 7.795 -8.922 1.00 0.00 H new ATOM 0 HA TRP A 50 78.892 10.165 -10.577 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.907 7.879 -10.818 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.808 9.232 -11.928 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.776 8.360 -8.339 1.00 0.00 H new ATOM 0 HE1 TRP A 50 83.105 10.312 -7.291 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.174 11.830 -12.040 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 83.835 12.989 -8.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 82.189 14.081 -11.821 1.00 0.00 H new ATOM 0 HH2 TRP A 50 83.525 14.660 -9.813 1.00 0.00 H new ATOM 900 N PRO A 51 77.840 9.005 -12.605 1.00 0.00 N ATOM 901 CA PRO A 51 77.003 8.342 -13.654 1.00 0.00 C ATOM 902 C PRO A 51 77.786 7.309 -14.463 1.00 0.00 C ATOM 903 O PRO A 51 77.214 6.357 -14.996 1.00 0.00 O ATOM 904 CB PRO A 51 76.552 9.504 -14.541 1.00 0.00 C ATOM 905 CG PRO A 51 77.575 10.570 -14.334 1.00 0.00 C ATOM 906 CD PRO A 51 78.056 10.429 -12.899 1.00 0.00 C ATOM 0 HA PRO A 51 76.176 7.781 -13.219 1.00 0.00 H new ATOM 0 HB2 PRO A 51 76.501 9.204 -15.588 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.558 9.852 -14.260 1.00 0.00 H new ATOM 0 HG2 PRO A 51 78.403 10.456 -15.034 1.00 0.00 H new ATOM 0 HG3 PRO A 51 77.147 11.558 -14.505 1.00 0.00 H new ATOM 0 HD2 PRO A 51 79.106 10.705 -12.798 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.491 11.069 -12.221 1.00 0.00 H new ATOM 914 N GLU A 52 79.092 7.520 -14.566 1.00 0.00 N ATOM 915 CA GLU A 52 79.942 6.617 -15.336 1.00 0.00 C ATOM 916 C GLU A 52 79.762 5.177 -14.877 1.00 0.00 C ATOM 917 O GLU A 52 79.490 4.292 -15.687 1.00 0.00 O ATOM 918 CB GLU A 52 81.409 7.014 -15.171 1.00 0.00 C ATOM 919 CG GLU A 52 81.809 8.008 -16.263 1.00 0.00 C ATOM 920 CD GLU A 52 80.987 9.284 -16.130 1.00 0.00 C ATOM 921 OE1 GLU A 52 80.988 9.855 -15.053 1.00 0.00 O ATOM 922 OE2 GLU A 52 80.365 9.668 -17.106 1.00 0.00 O ATOM 0 H GLU A 52 79.584 8.301 -14.131 1.00 0.00 H new ATOM 0 HA GLU A 52 79.652 6.693 -16.384 1.00 0.00 H new ATOM 0 HB2 GLU A 52 81.565 7.459 -14.188 1.00 0.00 H new ATOM 0 HB3 GLU A 52 82.042 6.128 -15.225 1.00 0.00 H new ATOM 0 HG2 GLU A 52 82.871 8.240 -16.185 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.651 7.564 -17.246 1.00 0.00 H new ATOM 929 N THR A 53 79.923 4.948 -13.579 1.00 0.00 N ATOM 930 CA THR A 53 79.781 3.608 -13.028 1.00 0.00 C ATOM 931 C THR A 53 78.754 3.579 -11.899 1.00 0.00 C ATOM 932 O THR A 53 78.134 2.548 -11.647 1.00 0.00 O ATOM 933 CB THR A 53 81.118 3.143 -12.479 1.00 0.00 C ATOM 934 OG1 THR A 53 81.540 4.067 -11.491 1.00 0.00 O ATOM 935 CG2 THR A 53 82.158 3.079 -13.600 1.00 0.00 C ATOM 0 H THR A 53 80.150 5.668 -12.893 1.00 0.00 H new ATOM 0 HA THR A 53 79.443 2.949 -13.828 1.00 0.00 H new ATOM 0 HB THR A 53 81.013 2.147 -12.048 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.544 3.629 -10.614 1.00 0.00 H new ATOM 0 HG21 THR A 53 83.112 2.744 -13.193 1.00 0.00 H new ATOM 0 HG22 THR A 53 81.825 2.379 -14.366 1.00 0.00 H new ATOM 0 HG23 THR A 53 82.279 4.068 -14.041 1.00 0.00 H new ATOM 943 N GLY A 54 78.580 4.708 -11.212 1.00 0.00 N ATOM 944 CA GLY A 54 77.624 4.756 -10.108 1.00 0.00 C ATOM 945 C GLY A 54 78.303 4.476 -8.776 1.00 0.00 C ATOM 946 O GLY A 54 77.640 4.124 -7.804 1.00 0.00 O ATOM 0 H GLY A 54 79.075 5.581 -11.394 1.00 0.00 H new ATOM 0 HA2 GLY A 54 77.149 5.737 -10.078 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.834 4.025 -10.277 1.00 0.00 H new ATOM 950 N TYR A 55 79.623 4.627 -8.732 1.00 0.00 N ATOM 951 CA TYR A 55 80.356 4.377 -7.496 1.00 0.00 C ATOM 952 C TYR A 55 80.305 5.588 -6.580 1.00 0.00 C ATOM 953 O TYR A 55 80.138 6.719 -7.032 1.00 0.00 O ATOM 954 CB TYR A 55 81.812 4.015 -7.786 1.00 0.00 C ATOM 955 CG TYR A 55 81.906 2.675 -8.500 1.00 0.00 C ATOM 956 CD1 TYR A 55 81.227 1.536 -8.025 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.681 2.580 -9.658 1.00 0.00 C ATOM 958 CE1 TYR A 55 81.328 0.326 -8.717 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.779 1.369 -10.346 1.00 0.00 C ATOM 960 CZ TYR A 55 82.099 0.244 -9.875 1.00 0.00 C ATOM 961 OH TYR A 55 82.189 -0.952 -10.549 1.00 0.00 O ATOM 0 H TYR A 55 80.199 4.916 -9.523 1.00 0.00 H new ATOM 0 HA TYR A 55 79.877 3.535 -6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 55 82.269 4.791 -8.400 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.374 3.975 -6.853 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.629 1.598 -7.128 1.00 0.00 H new ATOM 0 HD2 TYR A 55 83.208 3.449 -10.024 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.807 -0.548 -8.353 1.00 0.00 H new ATOM 0 HE2 TYR A 55 83.380 1.302 -11.241 1.00 0.00 H new ATOM 0 HH TYR A 55 83.132 -1.197 -10.656 1.00 0.00 H new ATOM 971 N VAL A 56 80.433 5.326 -5.286 1.00 0.00 N ATOM 972 CA VAL A 56 80.375 6.383 -4.290 1.00 0.00 C ATOM 973 C VAL A 56 81.439 7.432 -4.582 1.00 0.00 C ATOM 974 O VAL A 56 82.624 7.118 -4.695 1.00 0.00 O ATOM 975 CB VAL A 56 80.597 5.799 -2.888 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.387 6.891 -1.842 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.612 4.652 -2.611 1.00 0.00 C ATOM 0 H VAL A 56 80.577 4.391 -4.904 1.00 0.00 H new ATOM 0 HA VAL A 56 79.391 6.849 -4.331 1.00 0.00 H new ATOM 0 HB VAL A 56 81.615 5.413 -2.835 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.545 6.476 -0.846 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.096 7.701 -2.014 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.370 7.277 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.789 4.254 -1.612 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.590 5.026 -2.677 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.758 3.862 -3.347 1.00 0.00 H new ATOM 987 N LYS A 57 81.006 8.682 -4.691 1.00 0.00 N ATOM 988 CA LYS A 57 81.925 9.774 -4.962 1.00 0.00 C ATOM 989 C LYS A 57 82.729 10.134 -3.720 1.00 0.00 C ATOM 990 O LYS A 57 83.953 10.256 -3.772 1.00 0.00 O ATOM 991 CB LYS A 57 81.143 10.993 -5.453 1.00 0.00 C ATOM 992 CG LYS A 57 82.096 12.185 -5.579 1.00 0.00 C ATOM 993 CD LYS A 57 81.496 13.259 -6.490 1.00 0.00 C ATOM 994 CE LYS A 57 80.315 13.936 -5.808 1.00 0.00 C ATOM 995 NZ LYS A 57 80.750 14.482 -4.493 1.00 0.00 N ATOM 0 H LYS A 57 80.030 8.961 -4.596 1.00 0.00 H new ATOM 0 HA LYS A 57 82.624 9.454 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.680 10.779 -6.416 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.338 11.228 -4.757 1.00 0.00 H new ATOM 0 HG2 LYS A 57 82.294 12.606 -4.593 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.053 11.852 -5.981 1.00 0.00 H new ATOM 0 HD2 LYS A 57 82.255 14.001 -6.737 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.173 12.809 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 57 79.928 14.738 -6.437 1.00 0.00 H new ATOM 0 HE3 LYS A 57 79.504 13.222 -5.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 80.245 15.371 -4.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 80.536 13.794 -3.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 81.774 14.664 -4.514 1.00 0.00 H new ATOM 1009 N LYS A 58 82.033 10.298 -2.602 1.00 0.00 N ATOM 1010 CA LYS A 58 82.693 10.639 -1.350 1.00 0.00 C ATOM 1011 C LYS A 58 81.987 9.967 -0.185 1.00 0.00 C ATOM 1012 O LYS A 58 80.772 9.794 -0.208 1.00 0.00 O ATOM 1013 CB LYS A 58 82.674 12.162 -1.149 1.00 0.00 C ATOM 1014 CG LYS A 58 81.226 12.660 -1.027 1.00 0.00 C ATOM 1015 CD LYS A 58 81.220 14.180 -0.869 1.00 0.00 C ATOM 1016 CE LYS A 58 79.776 14.670 -0.750 1.00 0.00 C ATOM 1017 NZ LYS A 58 79.765 16.152 -0.605 1.00 0.00 N ATOM 0 H LYS A 58 81.020 10.201 -2.537 1.00 0.00 H new ATOM 0 HA LYS A 58 83.725 10.290 -1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 58 83.234 12.425 -0.252 1.00 0.00 H new ATOM 0 HB3 LYS A 58 83.166 12.654 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 58 80.656 12.374 -1.911 1.00 0.00 H new ATOM 0 HG3 LYS A 58 80.741 12.193 -0.170 1.00 0.00 H new ATOM 0 HD2 LYS A 58 81.788 14.467 0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 58 81.706 14.648 -1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 58 79.207 14.376 -1.632 1.00 0.00 H new ATOM 0 HE3 LYS A 58 79.293 14.206 0.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 78.783 16.486 -0.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 80.294 16.421 0.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 80.210 16.586 -1.439 1.00 0.00 H new ATOM 1031 N LEU A 59 82.750 9.597 0.832 1.00 0.00 N ATOM 1032 CA LEU A 59 82.169 8.950 2.000 1.00 0.00 C ATOM 1033 C LEU A 59 82.904 9.384 3.261 1.00 0.00 C ATOM 1034 O LEU A 59 84.134 9.386 3.302 1.00 0.00 O ATOM 1035 CB LEU A 59 82.292 7.438 1.865 1.00 0.00 C ATOM 1036 CG LEU A 59 81.035 6.744 2.359 1.00 0.00 C ATOM 1037 CD1 LEU A 59 79.844 7.069 1.459 1.00 0.00 C ATOM 1038 CD2 LEU A 59 81.244 5.229 2.391 1.00 0.00 C ATOM 0 H LEU A 59 83.760 9.731 0.874 1.00 0.00 H new ATOM 0 HA LEU A 59 81.120 9.237 2.068 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.471 7.176 0.822 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.153 7.087 2.434 1.00 0.00 H new ATOM 0 HG LEU A 59 80.827 7.105 3.366 1.00 0.00 H new ATOM 0 HD11 LEU A 59 78.956 6.560 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 59 79.672 8.145 1.457 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.053 6.733 0.443 1.00 0.00 H new ATOM 0 HD21 LEU A 59 80.335 4.744 2.747 1.00 0.00 H new ATOM 0 HD22 LEU A 59 81.476 4.873 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 59 82.070 4.990 3.061 1.00 0.00 H new ATOM 1050 N GLN A 60 82.146 9.745 4.288 1.00 0.00 N ATOM 1051 CA GLN A 60 82.740 10.176 5.546 1.00 0.00 C ATOM 1052 C GLN A 60 83.073 8.983 6.434 1.00 0.00 C ATOM 1053 O GLN A 60 82.260 8.078 6.614 1.00 0.00 O ATOM 1054 CB GLN A 60 81.773 11.096 6.287 1.00 0.00 C ATOM 1055 CG GLN A 60 82.511 11.811 7.420 1.00 0.00 C ATOM 1056 CD GLN A 60 81.521 12.197 8.512 1.00 0.00 C ATOM 1057 OE1 GLN A 60 80.644 11.406 8.860 1.00 0.00 O ATOM 1058 NE2 GLN A 60 81.610 13.364 9.086 1.00 0.00 N ATOM 0 H GLN A 60 81.126 9.748 4.275 1.00 0.00 H new ATOM 0 HA GLN A 60 83.662 10.710 5.317 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.350 11.826 5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 60 80.941 10.518 6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.285 11.162 7.830 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.011 12.701 7.037 1.00 0.00 H new ATOM 0 HE21 GLN A 60 82.336 14.020 8.798 1.00 0.00 H new ATOM 0 HE22 GLN A 60 80.953 13.621 9.823 1.00 0.00 H new ATOM 1067 N ARG A 61 84.283 8.991 6.973 1.00 0.00 N ATOM 1068 CA ARG A 61 84.728 7.901 7.833 1.00 0.00 C ATOM 1069 C ARG A 61 84.109 8.021 9.225 1.00 0.00 C ATOM 1070 O ARG A 61 83.485 9.028 9.562 1.00 0.00 O ATOM 1071 CB ARG A 61 86.254 7.887 7.950 1.00 0.00 C ATOM 1072 CG ARG A 61 86.875 8.006 6.556 1.00 0.00 C ATOM 1073 CD ARG A 61 88.114 7.115 6.464 1.00 0.00 C ATOM 1074 NE ARG A 61 89.063 7.451 7.517 1.00 0.00 N ATOM 1075 CZ ARG A 61 90.159 6.725 7.709 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.406 5.700 6.940 1.00 0.00 N ATOM 1077 NH2 ARG A 61 90.986 7.036 8.668 1.00 0.00 N ATOM 0 H ARG A 61 84.970 9.732 6.833 1.00 0.00 H new ATOM 0 HA ARG A 61 84.400 6.966 7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.588 8.711 8.580 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.584 6.965 8.429 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.148 7.714 5.798 1.00 0.00 H new ATOM 0 HG3 ARG A 61 87.145 9.043 6.355 1.00 0.00 H new ATOM 0 HD2 ARG A 61 87.823 6.068 6.549 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.585 7.237 5.489 1.00 0.00 H new ATOM 0 HE ARG A 61 88.883 8.256 8.116 1.00 0.00 H new ATOM 0 HH11 ARG A 61 89.758 5.456 6.191 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.248 5.143 7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 61 90.791 7.836 9.270 1.00 0.00 H new ATOM 0 HH22 ARG A 61 91.828 6.479 8.816 1.00 0.00 H new ATOM 1091 N ARG A 62 84.290 6.977 10.022 1.00 0.00 N ATOM 1092 CA ARG A 62 83.749 6.959 11.377 1.00 0.00 C ATOM 1093 C ARG A 62 84.470 7.985 12.237 1.00 0.00 C ATOM 1094 O ARG A 62 84.084 8.237 13.379 1.00 0.00 O ATOM 1095 CB ARG A 62 83.906 5.578 12.005 1.00 0.00 C ATOM 1096 CG ARG A 62 82.655 5.253 12.826 1.00 0.00 C ATOM 1097 CD ARG A 62 82.866 3.941 13.576 1.00 0.00 C ATOM 1098 NE ARG A 62 81.645 3.550 14.272 1.00 0.00 N ATOM 1099 CZ ARG A 62 81.589 2.431 14.988 1.00 0.00 C ATOM 1100 NH1 ARG A 62 82.636 1.656 15.070 1.00 0.00 N ATOM 1101 NH2 ARG A 62 80.487 2.107 15.608 1.00 0.00 N ATOM 0 H ARG A 62 84.803 6.136 9.758 1.00 0.00 H new ATOM 0 HA ARG A 62 82.688 7.203 11.323 1.00 0.00 H new ATOM 0 HB2 ARG A 62 84.051 4.827 11.229 1.00 0.00 H new ATOM 0 HB3 ARG A 62 84.790 5.553 12.642 1.00 0.00 H new ATOM 0 HG2 ARG A 62 82.450 6.059 13.531 1.00 0.00 H new ATOM 0 HG3 ARG A 62 81.787 5.174 12.171 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.160 3.158 12.877 1.00 0.00 H new ATOM 0 HD3 ARG A 62 83.681 4.051 14.292 1.00 0.00 H new ATOM 0 HE ARG A 62 80.819 4.146 14.208 1.00 0.00 H new ATOM 0 HH11 ARG A 62 83.497 1.909 14.585 1.00 0.00 H new ATOM 0 HH12 ARG A 62 82.593 0.798 15.619 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.669 2.712 15.543 1.00 0.00 H new ATOM 0 HH22 ARG A 62 80.444 1.249 16.157 1.00 0.00 H new ATOM 1115 N ASP A 63 85.521 8.570 11.679 1.00 0.00 N ATOM 1116 CA ASP A 63 86.298 9.565 12.398 1.00 0.00 C ATOM 1117 C ASP A 63 85.900 10.976 11.987 1.00 0.00 C ATOM 1118 O ASP A 63 86.563 11.937 12.372 1.00 0.00 O ATOM 1119 CB ASP A 63 87.785 9.363 12.134 1.00 0.00 C ATOM 1120 CG ASP A 63 88.258 8.082 12.810 1.00 0.00 C ATOM 1121 OD1 ASP A 63 87.557 7.607 13.688 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.311 7.593 12.437 1.00 0.00 O ATOM 0 H ASP A 63 85.853 8.373 10.735 1.00 0.00 H new ATOM 0 HA ASP A 63 86.094 9.441 13.462 1.00 0.00 H new ATOM 0 HB2 ASP A 63 87.969 9.309 11.061 1.00 0.00 H new ATOM 0 HB3 ASP A 63 88.350 10.215 12.512 1.00 0.00 H new ATOM 1127 N ASN A 64 84.823 11.100 11.207 1.00 0.00 N ATOM 1128 CA ASN A 64 84.347 12.403 10.752 1.00 0.00 C ATOM 1129 C ASN A 64 85.222 12.928 9.624 1.00 0.00 C ATOM 1130 O ASN A 64 84.934 13.969 9.032 1.00 0.00 O ATOM 1131 CB ASN A 64 84.331 13.405 11.907 1.00 0.00 C ATOM 1132 CG ASN A 64 83.908 12.705 13.192 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.119 11.760 13.157 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.374 13.127 14.331 1.00 0.00 N ATOM 0 H ASN A 64 84.266 10.311 10.879 1.00 0.00 H new ATOM 0 HA ASN A 64 83.330 12.280 10.380 1.00 0.00 H new ATOM 0 HB2 ASN A 64 85.320 13.846 12.031 1.00 0.00 H new ATOM 0 HB3 ASN A 64 83.644 14.221 11.683 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.086 12.675 15.199 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.027 13.910 14.356 1.00 0.00 H new ATOM 1141 N THR A 65 86.287 12.198 9.320 1.00 0.00 N ATOM 1142 CA THR A 65 87.184 12.604 8.252 1.00 0.00 C ATOM 1143 C THR A 65 86.588 12.251 6.894 1.00 0.00 C ATOM 1144 O THR A 65 86.171 11.117 6.667 1.00 0.00 O ATOM 1145 CB THR A 65 88.535 11.905 8.418 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.325 10.518 8.648 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.280 12.517 9.603 1.00 0.00 C ATOM 0 H THR A 65 86.547 11.332 9.793 1.00 0.00 H new ATOM 0 HA THR A 65 87.324 13.684 8.305 1.00 0.00 H new ATOM 0 HB THR A 65 89.128 12.034 7.513 1.00 0.00 H new ATOM 0 HG1 THR A 65 89.171 10.098 8.910 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.243 12.020 9.723 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.440 13.580 9.423 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.689 12.388 10.510 1.00 0.00 H new ATOM 1155 N PHE A 66 86.543 13.227 5.994 1.00 0.00 N ATOM 1156 CA PHE A 66 85.989 12.990 4.667 1.00 0.00 C ATOM 1157 C PHE A 66 86.970 12.191 3.820 1.00 0.00 C ATOM 1158 O PHE A 66 88.133 12.570 3.683 1.00 0.00 O ATOM 1159 CB PHE A 66 85.694 14.325 3.981 1.00 0.00 C ATOM 1160 CG PHE A 66 84.479 14.962 4.611 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.202 14.641 4.139 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.628 15.872 5.665 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.072 15.229 4.718 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.498 16.461 6.244 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.219 16.139 5.771 1.00 0.00 C ATOM 0 H PHE A 66 86.878 14.177 6.156 1.00 0.00 H new ATOM 0 HA PHE A 66 85.064 12.422 4.772 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.553 14.989 4.072 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.523 14.168 2.916 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.088 13.938 3.327 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.614 16.119 6.031 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.087 14.981 4.352 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.612 17.164 7.056 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.347 16.593 6.219 1.00 0.00 H new ATOM 1175 N PHE A 67 86.493 11.084 3.253 1.00 0.00 N ATOM 1176 CA PHE A 67 87.335 10.234 2.419 1.00 0.00 C ATOM 1177 C PHE A 67 86.765 10.150 1.008 1.00 0.00 C ATOM 1178 O PHE A 67 85.668 9.629 0.799 1.00 0.00 O ATOM 1179 CB PHE A 67 87.413 8.829 3.019 1.00 0.00 C ATOM 1180 CG PHE A 67 88.447 8.021 2.274 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.089 7.325 1.114 1.00 0.00 C ATOM 1182 CD2 PHE A 67 89.766 7.972 2.741 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.049 6.580 0.420 1.00 0.00 C ATOM 1184 CE2 PHE A 67 90.726 7.226 2.048 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.368 6.530 0.887 1.00 0.00 C ATOM 0 H PHE A 67 85.532 10.757 3.356 1.00 0.00 H new ATOM 0 HA PHE A 67 88.334 10.668 2.377 1.00 0.00 H new ATOM 0 HB2 PHE A 67 87.674 8.887 4.076 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.440 8.341 2.957 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.071 7.363 0.754 1.00 0.00 H new ATOM 0 HD2 PHE A 67 90.042 8.510 3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 67 88.773 6.044 -0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 67 91.743 7.187 2.409 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.109 5.955 0.352 1.00 0.00 H new ATOM 1195 N TYR A 68 87.514 10.665 0.042 1.00 0.00 N ATOM 1196 CA TYR A 68 87.071 10.639 -1.344 1.00 0.00 C ATOM 1197 C TYR A 68 87.385 9.288 -1.978 1.00 0.00 C ATOM 1198 O TYR A 68 88.470 8.738 -1.782 1.00 0.00 O ATOM 1199 CB TYR A 68 87.763 11.750 -2.137 1.00 0.00 C ATOM 1200 CG TYR A 68 87.248 13.096 -1.683 1.00 0.00 C ATOM 1201 CD1 TYR A 68 85.991 13.542 -2.108 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.026 13.896 -0.837 1.00 0.00 C ATOM 1203 CE1 TYR A 68 85.512 14.789 -1.688 1.00 0.00 C ATOM 1204 CE2 TYR A 68 87.547 15.144 -0.417 1.00 0.00 C ATOM 1205 CZ TYR A 68 86.290 15.590 -0.843 1.00 0.00 C ATOM 1206 OH TYR A 68 85.817 16.819 -0.430 1.00 0.00 O ATOM 0 H TYR A 68 88.423 11.102 0.191 1.00 0.00 H new ATOM 0 HA TYR A 68 85.993 10.798 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 68 88.842 11.695 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 68 87.577 11.619 -3.203 1.00 0.00 H new ATOM 0 HD1 TYR A 68 85.391 12.924 -2.760 1.00 0.00 H new ATOM 0 HD2 TYR A 68 88.995 13.551 -0.508 1.00 0.00 H new ATOM 0 HE1 TYR A 68 84.542 15.133 -2.016 1.00 0.00 H new ATOM 0 HE2 TYR A 68 88.147 15.762 0.235 1.00 0.00 H new ATOM 0 HH TYR A 68 86.479 17.245 0.153 1.00 0.00 H new ATOM 1216 N TYR A 69 86.431 8.768 -2.743 1.00 0.00 N ATOM 1217 CA TYR A 69 86.603 7.484 -3.416 1.00 0.00 C ATOM 1218 C TYR A 69 86.761 7.679 -4.918 1.00 0.00 C ATOM 1219 O TYR A 69 86.267 8.655 -5.485 1.00 0.00 O ATOM 1220 CB TYR A 69 85.412 6.568 -3.134 1.00 0.00 C ATOM 1221 CG TYR A 69 85.577 5.927 -1.776 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.452 4.844 -1.628 1.00 0.00 C ATOM 1223 CD2 TYR A 69 84.854 6.397 -0.670 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.610 4.233 -0.379 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.014 5.776 0.578 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.889 4.700 0.722 1.00 0.00 C ATOM 1227 OH TYR A 69 86.037 4.099 1.955 1.00 0.00 O ATOM 0 H TYR A 69 85.530 9.215 -2.913 1.00 0.00 H new ATOM 0 HA TYR A 69 87.508 7.018 -3.027 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.485 7.140 -3.167 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.341 5.800 -3.904 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.006 4.479 -2.480 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.178 7.232 -0.778 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.289 3.401 -0.267 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.457 6.133 1.431 1.00 0.00 H new ATOM 0 HH TYR A 69 85.154 3.903 2.332 1.00 0.00 H new ATOM 1237 N ASN A 70 87.453 6.744 -5.562 1.00 0.00 N ATOM 1238 CA ASN A 70 87.669 6.822 -7.000 1.00 0.00 C ATOM 1239 C ASN A 70 86.656 5.962 -7.749 1.00 0.00 C ATOM 1240 O ASN A 70 86.406 4.815 -7.376 1.00 0.00 O ATOM 1241 CB ASN A 70 89.087 6.353 -7.333 1.00 0.00 C ATOM 1242 CG ASN A 70 89.128 4.831 -7.424 1.00 0.00 C ATOM 1243 OD1 ASN A 70 88.938 4.266 -8.501 1.00 0.00 O ATOM 1244 ND2 ASN A 70 89.355 4.128 -6.347 1.00 0.00 N ATOM 0 H ASN A 70 87.871 5.929 -5.113 1.00 0.00 H new ATOM 0 HA ASN A 70 87.541 7.858 -7.313 1.00 0.00 H new ATOM 0 HB2 ASN A 70 89.411 6.790 -8.278 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.782 6.698 -6.567 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.375 3.109 -6.398 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.512 4.598 -5.455 1.00 0.00 H new ATOM 1251 N LYS A 71 86.083 6.519 -8.811 1.00 0.00 N ATOM 1252 CA LYS A 71 85.108 5.787 -9.611 1.00 0.00 C ATOM 1253 C LYS A 71 85.814 4.767 -10.503 1.00 0.00 C ATOM 1254 O LYS A 71 85.256 3.730 -10.846 1.00 0.00 O ATOM 1255 CB LYS A 71 84.296 6.758 -10.464 1.00 0.00 C ATOM 1256 CG LYS A 71 85.245 7.729 -11.154 1.00 0.00 C ATOM 1257 CD LYS A 71 84.647 8.163 -12.487 1.00 0.00 C ATOM 1258 CE LYS A 71 85.519 9.256 -13.100 1.00 0.00 C ATOM 1259 NZ LYS A 71 86.934 8.790 -13.168 1.00 0.00 N ATOM 0 H LYS A 71 86.275 7.467 -9.136 1.00 0.00 H new ATOM 0 HA LYS A 71 84.432 5.256 -8.941 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.714 6.211 -11.205 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.587 7.304 -9.841 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.417 8.599 -10.520 1.00 0.00 H new ATOM 0 HG3 LYS A 71 86.213 7.255 -11.315 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.582 7.311 -13.164 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.632 8.531 -12.340 1.00 0.00 H new ATOM 0 HE2 LYS A 71 85.159 9.505 -14.098 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.454 10.165 -12.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.510 9.501 -13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 87.302 8.655 -12.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.978 7.889 -13.685 1.00 0.00 H new ATOM 1273 N GLU A 72 87.047 5.058 -10.876 1.00 0.00 N ATOM 1274 CA GLU A 72 87.795 4.134 -11.713 1.00 0.00 C ATOM 1275 C GLU A 72 88.195 2.904 -10.912 1.00 0.00 C ATOM 1276 O GLU A 72 89.377 2.591 -10.798 1.00 0.00 O ATOM 1277 CB GLU A 72 89.055 4.807 -12.249 1.00 0.00 C ATOM 1278 CG GLU A 72 88.677 5.993 -13.132 1.00 0.00 C ATOM 1279 CD GLU A 72 87.968 5.496 -14.386 1.00 0.00 C ATOM 1280 OE1 GLU A 72 88.133 4.332 -14.712 1.00 0.00 O ATOM 1281 OE2 GLU A 72 87.269 6.285 -14.999 1.00 0.00 O ATOM 0 H GLU A 72 87.546 5.910 -10.619 1.00 0.00 H new ATOM 0 HA GLU A 72 87.158 3.837 -12.546 1.00 0.00 H new ATOM 0 HB2 GLU A 72 89.678 5.144 -11.420 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.645 4.091 -12.821 1.00 0.00 H new ATOM 0 HG2 GLU A 72 88.029 6.675 -12.583 1.00 0.00 H new ATOM 0 HG3 GLU A 72 89.571 6.554 -13.406 1.00 0.00 H new ATOM 1365 N LYS A 78 91.497 -10.456 -5.831 1.00 0.00 N ATOM 1366 CA LYS A 78 92.288 -10.357 -4.613 1.00 0.00 C ATOM 1367 C LYS A 78 91.518 -9.609 -3.527 1.00 0.00 C ATOM 1368 O LYS A 78 91.594 -9.951 -2.344 1.00 0.00 O ATOM 1369 CB LYS A 78 93.604 -9.630 -4.893 1.00 0.00 C ATOM 1370 CG LYS A 78 94.508 -10.519 -5.755 1.00 0.00 C ATOM 1371 CD LYS A 78 95.903 -9.891 -5.891 1.00 0.00 C ATOM 1372 CE LYS A 78 95.852 -8.670 -6.816 1.00 0.00 C ATOM 1373 NZ LYS A 78 97.240 -8.210 -7.102 1.00 0.00 N ATOM 0 HA LYS A 78 92.499 -11.368 -4.265 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.409 -8.687 -5.405 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.103 -9.386 -3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 78 94.590 -11.509 -5.306 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.064 -10.652 -6.742 1.00 0.00 H new ATOM 0 HD2 LYS A 78 96.273 -9.596 -4.909 1.00 0.00 H new ATOM 0 HD3 LYS A 78 96.603 -10.627 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 78 95.342 -8.925 -7.745 1.00 0.00 H new ATOM 0 HE3 LYS A 78 95.280 -7.869 -6.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 97.209 -7.381 -7.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 97.711 -7.952 -6.211 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 97.771 -8.975 -7.565 1.00 0.00 H new ATOM 1387 N GLU A 79 90.761 -8.597 -3.929 1.00 0.00 N ATOM 1388 CA GLU A 79 89.985 -7.825 -2.974 1.00 0.00 C ATOM 1389 C GLU A 79 88.690 -8.548 -2.630 1.00 0.00 C ATOM 1390 O GLU A 79 88.193 -8.444 -1.513 1.00 0.00 O ATOM 1391 CB GLU A 79 89.670 -6.454 -3.562 1.00 0.00 C ATOM 1392 CG GLU A 79 90.967 -5.683 -3.796 1.00 0.00 C ATOM 1393 CD GLU A 79 91.590 -5.302 -2.459 1.00 0.00 C ATOM 1394 OE1 GLU A 79 90.891 -5.374 -1.462 1.00 0.00 O ATOM 1395 OE2 GLU A 79 92.756 -4.945 -2.451 1.00 0.00 O ATOM 0 H GLU A 79 90.669 -8.295 -4.899 1.00 0.00 H new ATOM 0 HA GLU A 79 90.569 -7.705 -2.061 1.00 0.00 H new ATOM 0 HB2 GLU A 79 89.128 -6.566 -4.501 1.00 0.00 H new ATOM 0 HB3 GLU A 79 89.022 -5.897 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 79 91.664 -6.292 -4.372 1.00 0.00 H new ATOM 0 HG3 GLU A 79 90.767 -4.787 -4.383 1.00 0.00 H new ATOM 1402 N VAL A 80 88.141 -9.281 -3.588 1.00 0.00 N ATOM 1403 CA VAL A 80 86.899 -9.999 -3.346 1.00 0.00 C ATOM 1404 C VAL A 80 87.073 -10.928 -2.156 1.00 0.00 C ATOM 1405 O VAL A 80 86.210 -11.003 -1.282 1.00 0.00 O ATOM 1406 CB VAL A 80 86.548 -10.830 -4.592 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.377 -11.794 -4.329 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.156 -9.889 -5.729 1.00 0.00 C ATOM 0 H VAL A 80 88.528 -9.393 -4.525 1.00 0.00 H new ATOM 0 HA VAL A 80 86.100 -9.288 -3.137 1.00 0.00 H new ATOM 0 HB VAL A 80 87.426 -11.420 -4.855 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.162 -12.361 -5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 80 85.644 -12.481 -3.526 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.494 -11.224 -4.040 1.00 0.00 H new ATOM 0 HG21 VAL A 80 85.906 -10.473 -6.615 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.292 -9.297 -5.429 1.00 0.00 H new ATOM 0 HG23 VAL A 80 86.990 -9.225 -5.956 1.00 0.00 H new ATOM 1418 N HIS A 81 88.188 -11.636 -2.138 1.00 0.00 N ATOM 1419 CA HIS A 81 88.467 -12.568 -1.051 1.00 0.00 C ATOM 1420 C HIS A 81 88.750 -11.826 0.251 1.00 0.00 C ATOM 1421 O HIS A 81 88.295 -12.240 1.319 1.00 0.00 O ATOM 1422 CB HIS A 81 89.658 -13.459 -1.400 1.00 0.00 C ATOM 1423 CG HIS A 81 89.776 -14.559 -0.375 1.00 0.00 C ATOM 1424 ND1 HIS A 81 90.528 -14.420 0.782 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.242 -15.824 -0.323 1.00 0.00 C ATOM 1426 CE1 HIS A 81 90.429 -15.571 1.473 1.00 0.00 C ATOM 1427 NE2 HIS A 81 89.656 -16.461 0.844 1.00 0.00 N ATOM 0 H HIS A 81 88.912 -11.587 -2.855 1.00 0.00 H new ATOM 0 HA HIS A 81 87.581 -13.189 -0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 81 89.528 -13.886 -2.395 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.574 -12.868 -1.423 1.00 0.00 H new ATOM 0 HD2 HIS A 81 88.599 -16.259 -1.074 1.00 0.00 H new ATOM 0 HE1 HIS A 81 90.915 -15.753 2.420 1.00 0.00 H new ATOM 0 HE2 HIS A 81 89.420 -17.404 1.152 1.00 0.00 H new ATOM 1435 N LYS A 82 89.498 -10.730 0.160 1.00 0.00 N ATOM 1436 CA LYS A 82 89.826 -9.944 1.345 1.00 0.00 C ATOM 1437 C LYS A 82 88.594 -9.207 1.871 1.00 0.00 C ATOM 1438 O LYS A 82 88.484 -8.937 3.068 1.00 0.00 O ATOM 1439 CB LYS A 82 90.915 -8.933 0.994 1.00 0.00 C ATOM 1440 CG LYS A 82 92.225 -9.669 0.696 1.00 0.00 C ATOM 1441 CD LYS A 82 93.270 -9.276 1.739 1.00 0.00 C ATOM 1442 CE LYS A 82 93.620 -7.793 1.582 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.227 -7.059 2.817 1.00 0.00 N ATOM 0 H LYS A 82 89.885 -10.369 -0.712 1.00 0.00 H new ATOM 0 HA LYS A 82 90.180 -10.620 2.124 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.612 -8.344 0.128 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.058 -8.236 1.820 1.00 0.00 H new ATOM 0 HG2 LYS A 82 92.063 -10.747 0.714 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.579 -9.417 -0.304 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.887 -9.465 2.742 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.165 -9.886 1.619 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.689 -7.677 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.104 -7.376 0.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.880 -6.112 2.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.475 -7.583 3.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.052 -6.968 3.444 1.00 0.00 H new ATOM 1457 N VAL A 83 87.674 -8.884 0.968 1.00 0.00 N ATOM 1458 CA VAL A 83 86.453 -8.177 1.342 1.00 0.00 C ATOM 1459 C VAL A 83 85.352 -9.159 1.725 1.00 0.00 C ATOM 1460 O VAL A 83 85.156 -10.174 1.056 1.00 0.00 O ATOM 1461 CB VAL A 83 85.976 -7.300 0.189 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.668 -6.613 0.590 1.00 0.00 C ATOM 1463 CG2 VAL A 83 87.040 -6.243 -0.110 1.00 0.00 C ATOM 0 H VAL A 83 87.750 -9.100 -0.026 1.00 0.00 H new ATOM 0 HA VAL A 83 86.678 -7.550 2.204 1.00 0.00 H new ATOM 0 HB VAL A 83 85.810 -7.910 -0.699 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.321 -5.984 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.914 -7.368 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.836 -5.997 1.473 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.705 -5.612 -0.934 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.201 -5.628 0.776 1.00 0.00 H new ATOM 0 HG23 VAL A 83 87.973 -6.734 -0.385 1.00 0.00 H new ATOM 1473 N LYS A 84 84.632 -8.847 2.801 1.00 0.00 N ATOM 1474 CA LYS A 84 83.545 -9.707 3.263 1.00 0.00 C ATOM 1475 C LYS A 84 82.200 -9.029 3.031 1.00 0.00 C ATOM 1476 O LYS A 84 82.136 -7.813 2.846 1.00 0.00 O ATOM 1477 CB LYS A 84 83.712 -10.008 4.750 1.00 0.00 C ATOM 1478 CG LYS A 84 85.192 -10.239 5.057 1.00 0.00 C ATOM 1479 CD LYS A 84 85.340 -10.746 6.491 1.00 0.00 C ATOM 1480 CE LYS A 84 86.732 -10.392 7.014 1.00 0.00 C ATOM 1481 NZ LYS A 84 87.767 -10.957 6.103 1.00 0.00 N ATOM 0 H LYS A 84 84.780 -8.011 3.366 1.00 0.00 H new ATOM 0 HA LYS A 84 83.577 -10.639 2.699 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.331 -9.179 5.346 1.00 0.00 H new ATOM 0 HB3 LYS A 84 83.131 -10.889 5.022 1.00 0.00 H new ATOM 0 HG2 LYS A 84 85.611 -10.963 4.358 1.00 0.00 H new ATOM 0 HG3 LYS A 84 85.751 -9.312 4.928 1.00 0.00 H new ATOM 0 HD2 LYS A 84 84.576 -10.299 7.127 1.00 0.00 H new ATOM 0 HD3 LYS A 84 85.191 -11.825 6.524 1.00 0.00 H new ATOM 0 HE2 LYS A 84 86.842 -9.310 7.079 1.00 0.00 H new ATOM 0 HE3 LYS A 84 86.865 -10.787 8.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 88.686 -10.973 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 87.501 -11.925 5.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 87.838 -10.367 5.249 1.00 0.00 H new ATOM 1495 N VAL A 85 81.128 -9.820 3.039 1.00 0.00 N ATOM 1496 CA VAL A 85 79.789 -9.283 2.822 1.00 0.00 C ATOM 1497 C VAL A 85 78.917 -9.532 4.049 1.00 0.00 C ATOM 1498 O VAL A 85 78.779 -10.666 4.505 1.00 0.00 O ATOM 1499 CB VAL A 85 79.155 -9.953 1.602 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.012 -9.081 1.080 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.209 -10.130 0.508 1.00 0.00 C ATOM 0 H VAL A 85 81.161 -10.828 3.192 1.00 0.00 H new ATOM 0 HA VAL A 85 79.865 -8.209 2.650 1.00 0.00 H new ATOM 0 HB VAL A 85 78.765 -10.930 1.886 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.559 -9.557 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.261 -8.961 1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.401 -8.103 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 79.755 -10.608 -0.360 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.603 -9.155 0.221 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.021 -10.754 0.882 1.00 0.00 H new ATOM 1511 N TYR A 86 78.336 -8.464 4.584 1.00 0.00 N ATOM 1512 CA TYR A 86 77.489 -8.582 5.765 1.00 0.00 C ATOM 1513 C TYR A 86 76.032 -8.826 5.367 1.00 0.00 C ATOM 1514 O TYR A 86 75.554 -8.300 4.362 1.00 0.00 O ATOM 1515 CB TYR A 86 77.606 -7.302 6.605 1.00 0.00 C ATOM 1516 CG TYR A 86 76.555 -6.305 6.172 1.00 0.00 C ATOM 1517 CD1 TYR A 86 76.434 -5.964 4.822 1.00 0.00 C ATOM 1518 CD2 TYR A 86 75.692 -5.737 7.115 1.00 0.00 C ATOM 1519 CE1 TYR A 86 75.450 -5.054 4.414 1.00 0.00 C ATOM 1520 CE2 TYR A 86 74.707 -4.828 6.707 1.00 0.00 C ATOM 1521 CZ TYR A 86 74.588 -4.488 5.356 1.00 0.00 C ATOM 1522 OH TYR A 86 73.619 -3.594 4.953 1.00 0.00 O ATOM 0 H TYR A 86 78.434 -7.515 4.223 1.00 0.00 H new ATOM 0 HA TYR A 86 77.823 -9.435 6.356 1.00 0.00 H new ATOM 0 HB2 TYR A 86 77.483 -7.538 7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 86 78.600 -6.870 6.489 1.00 0.00 H new ATOM 0 HD1 TYR A 86 77.099 -6.402 4.093 1.00 0.00 H new ATOM 0 HD2 TYR A 86 75.785 -5.999 8.159 1.00 0.00 H new ATOM 0 HE1 TYR A 86 75.358 -4.790 3.371 1.00 0.00 H new ATOM 0 HE2 TYR A 86 74.040 -4.390 7.435 1.00 0.00 H new ATOM 0 HH TYR A 86 73.105 -3.296 5.732 1.00 0.00 H new ATOM 1532 N VAL A 87 75.332 -9.636 6.156 1.00 0.00 N ATOM 1533 CA VAL A 87 73.931 -9.933 5.877 1.00 0.00 C ATOM 1534 C VAL A 87 73.075 -9.731 7.125 1.00 0.00 C ATOM 1535 O VAL A 87 73.295 -10.365 8.158 1.00 0.00 O ATOM 1536 CB VAL A 87 73.789 -11.364 5.362 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.209 -11.422 3.891 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.692 -12.287 6.178 1.00 0.00 C ATOM 0 H VAL A 87 75.708 -10.095 6.986 1.00 0.00 H new ATOM 0 HA VAL A 87 73.580 -9.245 5.108 1.00 0.00 H new ATOM 0 HB VAL A 87 72.751 -11.683 5.459 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.108 -12.443 3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.572 -10.760 3.304 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.247 -11.104 3.796 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.593 -13.309 5.813 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.728 -11.965 6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 87 74.400 -12.247 7.227 1.00 0.00 H new ATOM 1548 N TYR A 88 72.093 -8.845 7.026 1.00 0.00 N ATOM 1549 CA TYR A 88 71.215 -8.578 8.157 1.00 0.00 C ATOM 1550 C TYR A 88 69.993 -9.489 8.106 1.00 0.00 C ATOM 1551 O TYR A 88 69.446 -9.772 9.158 1.00 0.00 O ATOM 1552 CB TYR A 88 70.768 -7.116 8.146 1.00 0.00 C ATOM 1553 CG TYR A 88 69.834 -6.888 6.985 1.00 0.00 C ATOM 1554 CD1 TYR A 88 70.352 -6.571 5.726 1.00 0.00 C ATOM 1555 CD2 TYR A 88 68.451 -6.996 7.168 1.00 0.00 C ATOM 1556 CE1 TYR A 88 69.486 -6.359 4.645 1.00 0.00 C ATOM 1557 CE2 TYR A 88 67.584 -6.784 6.089 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.102 -6.466 4.827 1.00 0.00 C ATOM 1559 OH TYR A 88 67.248 -6.257 3.764 1.00 0.00 O ATOM 1560 OXT TYR A 88 69.626 -9.893 7.014 1.00 0.00 O ATOM 0 H TYR A 88 71.886 -8.305 6.186 1.00 0.00 H new ATOM 0 HA TYR A 88 71.767 -8.775 9.076 1.00 0.00 H new ATOM 0 HB2 TYR A 88 70.268 -6.870 9.083 1.00 0.00 H new ATOM 0 HB3 TYR A 88 71.634 -6.460 8.065 1.00 0.00 H new ATOM 0 HD1 TYR A 88 71.420 -6.489 5.586 1.00 0.00 H new ATOM 0 HD2 TYR A 88 68.052 -7.243 8.141 1.00 0.00 H new ATOM 0 HE1 TYR A 88 69.886 -6.113 3.672 1.00 0.00 H new ATOM 0 HE2 TYR A 88 66.516 -6.866 6.230 1.00 0.00 H new ATOM 0 HH TYR A 88 66.321 -6.371 4.062 1.00 0.00 H new