USER MOD reduce.3.24.130724 H: found=0, std=0, add=644, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 645 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 42 LYS NZ :NH3+ -137:sc= -5.25! (180deg=-4.46!) USER MOD Set 1.2: A 60 GLN : amide:sc= -0.201 K(o=-5.5,f=-18!) USER MOD Single : A 10 SER OG : rot 34:sc= 0.0457 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -161:sc= -0.0653 (180deg=-0.503) USER MOD Single : A 16 LYS NZ :NH3+ -164:sc= -0.364 (180deg=-0.564) USER MOD Single : A 18 SER OG : rot 180:sc=-0.00109 USER MOD Single : A 23 ASN : amide:sc= -2.88! C(o=-2.9!,f=-5!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0.14 K(o=0.14,f=-1.7) USER MOD Single : A 29 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.16) USER MOD Single : A 32 TYR OH : rot 180:sc= -1.82! 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 K(o=0,f=-1.5!) USER MOD Single : A 43 GLN : amide:sc= -2.85! C(o=-2.8!,f=-12!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 109:sc= 0.0424 USER MOD Single : A 55 TYR OH : rot -140:sc= -0.0844 USER MOD Single : A 57 LYS NZ :NH3+ -160:sc= -0.0261 (180deg=-0.311) USER MOD Single : A 58 LYS NZ :NH3+ 131:sc= -0.0362 (180deg=-0.55) USER MOD Single : A 64 ASN : amide:sc= -1.38 K(o=-1.4,f=-2.3!) USER MOD Single : A 65 THR OG1 : rot 24:sc= 0.145 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 TYR OH : rot -89:sc= 1.26 USER MOD Single : A 70 ASN :FLIP amide:sc= -4.33! C(o=-6.6!,f=-4.3!) USER MOD Single : A 71 LYS NZ :NH3+ -134:sc= -2.32! (180deg=-3.07!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HD1:sc=-0.00409 X(o=-0.0041,f=-0.34) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ -148:sc= -0.216 (180deg=-1.23!) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 193 N SER A 10 73.997 -11.430 9.257 1.00 0.00 N ATOM 194 CA SER A 10 75.246 -12.178 9.333 1.00 0.00 C ATOM 195 C SER A 10 76.299 -11.558 8.419 1.00 0.00 C ATOM 196 O SER A 10 76.020 -10.610 7.687 1.00 0.00 O ATOM 197 CB SER A 10 75.008 -13.630 8.920 1.00 0.00 C ATOM 198 OG SER A 10 74.133 -14.246 9.857 1.00 0.00 O ATOM 0 HA SER A 10 75.606 -12.144 10.361 1.00 0.00 H new ATOM 0 HB2 SER A 10 74.576 -13.670 7.920 1.00 0.00 H new ATOM 0 HB3 SER A 10 75.955 -14.169 8.880 1.00 0.00 H new ATOM 0 HG SER A 10 73.484 -13.587 10.181 1.00 0.00 H new ATOM 204 N ILE A 11 77.511 -12.101 8.468 1.00 0.00 N ATOM 205 CA ILE A 11 78.599 -11.601 7.635 1.00 0.00 C ATOM 206 C ILE A 11 79.186 -12.729 6.793 1.00 0.00 C ATOM 207 O ILE A 11 79.563 -13.776 7.319 1.00 0.00 O ATOM 208 CB ILE A 11 79.696 -10.992 8.507 1.00 0.00 C ATOM 209 CG1 ILE A 11 79.100 -9.866 9.356 1.00 0.00 C ATOM 210 CG2 ILE A 11 80.805 -10.430 7.618 1.00 0.00 C ATOM 211 CD1 ILE A 11 78.405 -10.456 10.585 1.00 0.00 C ATOM 0 H ILE A 11 77.764 -12.883 9.072 1.00 0.00 H new ATOM 0 HA ILE A 11 78.198 -10.833 6.973 1.00 0.00 H new ATOM 0 HB ILE A 11 80.112 -11.760 9.159 1.00 0.00 H new ATOM 0 HG12 ILE A 11 79.886 -9.177 9.667 1.00 0.00 H new ATOM 0 HG13 ILE A 11 78.387 -9.291 8.765 1.00 0.00 H new ATOM 0 HG21 ILE A 11 81.587 -9.996 8.242 1.00 0.00 H new ATOM 0 HG22 ILE A 11 81.227 -11.232 7.012 1.00 0.00 H new ATOM 0 HG23 ILE A 11 80.393 -9.661 6.965 1.00 0.00 H new ATOM 0 HD11 ILE A 11 77.983 -9.651 11.186 1.00 0.00 H new ATOM 0 HD12 ILE A 11 77.608 -11.127 10.265 1.00 0.00 H new ATOM 0 HD13 ILE A 11 79.129 -11.012 11.181 1.00 0.00 H new ATOM 223 N SER A 12 79.262 -12.509 5.485 1.00 0.00 N ATOM 224 CA SER A 12 79.806 -13.510 4.574 1.00 0.00 C ATOM 225 C SER A 12 81.036 -12.967 3.857 1.00 0.00 C ATOM 226 O SER A 12 81.403 -11.808 4.031 1.00 0.00 O ATOM 227 CB SER A 12 78.753 -13.915 3.546 1.00 0.00 C ATOM 228 OG SER A 12 77.656 -14.524 4.213 1.00 0.00 O ATOM 0 H SER A 12 78.954 -11.648 5.032 1.00 0.00 H new ATOM 0 HA SER A 12 80.093 -14.384 5.158 1.00 0.00 H new ATOM 0 HB2 SER A 12 78.415 -13.040 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 12 79.183 -14.607 2.821 1.00 0.00 H new ATOM 0 HG SER A 12 76.977 -14.784 3.556 1.00 0.00 H new ATOM 234 N ARG A 13 81.671 -13.815 3.055 1.00 0.00 N ATOM 235 CA ARG A 13 82.862 -13.408 2.319 1.00 0.00 C ATOM 236 C ARG A 13 82.563 -13.310 0.826 1.00 0.00 C ATOM 237 O ARG A 13 82.026 -14.241 0.225 1.00 0.00 O ATOM 238 CB ARG A 13 83.986 -14.421 2.540 1.00 0.00 C ATOM 239 CG ARG A 13 84.619 -14.191 3.915 1.00 0.00 C ATOM 240 CD ARG A 13 83.598 -14.518 5.007 1.00 0.00 C ATOM 241 NE ARG A 13 84.274 -15.027 6.194 1.00 0.00 N ATOM 242 CZ ARG A 13 84.704 -14.208 7.147 1.00 0.00 C ATOM 243 NH1 ARG A 13 84.524 -12.920 7.032 1.00 0.00 N ATOM 244 NH2 ARG A 13 85.305 -14.691 8.199 1.00 0.00 N ATOM 0 H ARG A 13 81.384 -14.781 2.899 1.00 0.00 H new ATOM 0 HA ARG A 13 83.172 -12.430 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 13 83.593 -15.436 2.474 1.00 0.00 H new ATOM 0 HB3 ARG A 13 84.740 -14.319 1.759 1.00 0.00 H new ATOM 0 HG2 ARG A 13 85.503 -14.818 4.030 1.00 0.00 H new ATOM 0 HG3 ARG A 13 84.948 -13.156 4.008 1.00 0.00 H new ATOM 0 HD2 ARG A 13 83.027 -13.625 5.260 1.00 0.00 H new ATOM 0 HD3 ARG A 13 82.887 -15.258 4.640 1.00 0.00 H new ATOM 0 HE ARG A 13 84.420 -16.032 6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 13 84.053 -12.542 6.210 1.00 0.00 H new ATOM 0 HH12 ARG A 13 84.854 -12.291 7.764 1.00 0.00 H new ATOM 0 HH21 ARG A 13 85.445 -15.697 8.290 1.00 0.00 H new ATOM 0 HH22 ARG A 13 85.635 -14.062 8.931 1.00 0.00 H new ATOM 258 N ALA A 14 82.908 -12.169 0.233 1.00 0.00 N ATOM 259 CA ALA A 14 82.669 -11.955 -1.190 1.00 0.00 C ATOM 260 C ALA A 14 83.439 -12.978 -2.012 1.00 0.00 C ATOM 261 O ALA A 14 84.569 -13.340 -1.674 1.00 0.00 O ATOM 262 CB ALA A 14 83.101 -10.546 -1.586 1.00 0.00 C ATOM 0 H ALA A 14 83.350 -11.385 0.712 1.00 0.00 H new ATOM 0 HA ALA A 14 81.603 -12.072 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 14 82.919 -10.395 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 14 82.530 -9.816 -1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 14 84.163 -10.419 -1.378 1.00 0.00 H new ATOM 268 N LYS A 15 82.826 -13.451 -3.098 1.00 0.00 N ATOM 269 CA LYS A 15 83.464 -14.440 -3.958 1.00 0.00 C ATOM 270 C LYS A 15 84.140 -13.767 -5.141 1.00 0.00 C ATOM 271 O LYS A 15 85.254 -14.128 -5.524 1.00 0.00 O ATOM 272 CB LYS A 15 82.424 -15.442 -4.455 1.00 0.00 C ATOM 273 CG LYS A 15 83.123 -16.547 -5.253 1.00 0.00 C ATOM 274 CD LYS A 15 82.143 -17.688 -5.505 1.00 0.00 C ATOM 275 CE LYS A 15 82.841 -18.802 -6.290 1.00 0.00 C ATOM 276 NZ LYS A 15 83.235 -18.288 -7.632 1.00 0.00 N ATOM 0 H LYS A 15 81.894 -13.165 -3.399 1.00 0.00 H new ATOM 0 HA LYS A 15 84.224 -14.965 -3.379 1.00 0.00 H new ATOM 0 HB2 LYS A 15 81.886 -15.873 -3.611 1.00 0.00 H new ATOM 0 HB3 LYS A 15 81.687 -14.938 -5.080 1.00 0.00 H new ATOM 0 HG2 LYS A 15 83.488 -16.151 -6.201 1.00 0.00 H new ATOM 0 HG3 LYS A 15 83.991 -16.913 -4.705 1.00 0.00 H new ATOM 0 HD2 LYS A 15 81.770 -18.076 -4.557 1.00 0.00 H new ATOM 0 HD3 LYS A 15 81.280 -17.323 -6.062 1.00 0.00 H new ATOM 0 HE2 LYS A 15 83.721 -19.148 -5.748 1.00 0.00 H new ATOM 0 HE3 LYS A 15 82.176 -19.659 -6.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 83.407 -19.088 -8.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 82.471 -17.695 -8.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 84.103 -17.721 -7.546 1.00 0.00 H new ATOM 290 N LYS A 16 83.455 -12.787 -5.730 1.00 0.00 N ATOM 291 CA LYS A 16 83.994 -12.060 -6.879 1.00 0.00 C ATOM 292 C LYS A 16 83.827 -10.556 -6.691 1.00 0.00 C ATOM 293 O LYS A 16 83.405 -10.101 -5.640 1.00 0.00 O ATOM 294 CB LYS A 16 83.310 -12.527 -8.162 1.00 0.00 C ATOM 295 CG LYS A 16 82.203 -11.543 -8.541 1.00 0.00 C ATOM 296 CD LYS A 16 81.183 -12.234 -9.438 1.00 0.00 C ATOM 297 CE LYS A 16 80.874 -11.339 -10.638 1.00 0.00 C ATOM 298 NZ LYS A 16 80.429 -10.000 -10.161 1.00 0.00 N ATOM 0 H LYS A 16 82.529 -12.479 -5.432 1.00 0.00 H new ATOM 0 HA LYS A 16 85.060 -12.271 -6.958 1.00 0.00 H new ATOM 0 HB2 LYS A 16 84.039 -12.598 -8.969 1.00 0.00 H new ATOM 0 HB3 LYS A 16 82.892 -13.524 -8.021 1.00 0.00 H new ATOM 0 HG2 LYS A 16 81.715 -11.167 -7.642 1.00 0.00 H new ATOM 0 HG3 LYS A 16 82.630 -10.682 -9.056 1.00 0.00 H new ATOM 0 HD2 LYS A 16 81.572 -13.194 -9.777 1.00 0.00 H new ATOM 0 HD3 LYS A 16 80.270 -12.439 -8.879 1.00 0.00 H new ATOM 0 HE2 LYS A 16 81.759 -11.237 -11.266 1.00 0.00 H new ATOM 0 HE3 LYS A 16 80.098 -11.794 -11.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 79.967 -9.490 -10.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 79.756 -10.117 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 81.253 -9.457 -9.832 1.00 0.00 H new ATOM 312 N TRP A 17 84.119 -9.805 -7.739 1.00 0.00 N ATOM 313 CA TRP A 17 83.980 -8.356 -7.704 1.00 0.00 C ATOM 314 C TRP A 17 82.655 -7.900 -8.308 1.00 0.00 C ATOM 315 O TRP A 17 82.347 -8.214 -9.456 1.00 0.00 O ATOM 316 CB TRP A 17 85.137 -7.708 -8.458 1.00 0.00 C ATOM 317 CG TRP A 17 84.845 -6.256 -8.658 1.00 0.00 C ATOM 318 CD1 TRP A 17 85.006 -5.293 -7.723 1.00 0.00 C ATOM 319 CD2 TRP A 17 84.364 -5.585 -9.861 1.00 0.00 C ATOM 320 NE1 TRP A 17 84.642 -4.075 -8.268 1.00 0.00 N ATOM 321 CE2 TRP A 17 84.239 -4.203 -9.585 1.00 0.00 C ATOM 322 CE3 TRP A 17 84.022 -6.037 -11.148 1.00 0.00 C ATOM 323 CZ2 TRP A 17 83.792 -3.301 -10.553 1.00 0.00 C ATOM 324 CZ3 TRP A 17 83.574 -5.132 -12.123 1.00 0.00 C ATOM 325 CH2 TRP A 17 83.460 -3.767 -11.826 1.00 0.00 C ATOM 0 H TRP A 17 84.455 -10.175 -8.628 1.00 0.00 H new ATOM 0 HA TRP A 17 83.996 -8.046 -6.659 1.00 0.00 H new ATOM 0 HB2 TRP A 17 86.065 -7.830 -7.899 1.00 0.00 H new ATOM 0 HB3 TRP A 17 85.278 -8.198 -9.421 1.00 0.00 H new ATOM 0 HD1 TRP A 17 85.361 -5.449 -6.715 1.00 0.00 H new ATOM 0 HE1 TRP A 17 84.668 -3.190 -7.761 1.00 0.00 H new ATOM 0 HE3 TRP A 17 84.105 -7.087 -11.388 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 83.704 -2.251 -10.318 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 83.315 -5.490 -13.109 1.00 0.00 H new ATOM 0 HH2 TRP A 17 83.116 -3.076 -12.582 1.00 0.00 H new ATOM 336 N SER A 18 81.880 -7.154 -7.528 1.00 0.00 N ATOM 337 CA SER A 18 80.594 -6.655 -8.003 1.00 0.00 C ATOM 338 C SER A 18 80.203 -5.384 -7.253 1.00 0.00 C ATOM 339 O SER A 18 80.640 -5.160 -6.124 1.00 0.00 O ATOM 340 CB SER A 18 79.513 -7.716 -7.808 1.00 0.00 C ATOM 341 OG SER A 18 78.280 -7.227 -8.319 1.00 0.00 O ATOM 0 H SER A 18 82.116 -6.883 -6.573 1.00 0.00 H new ATOM 0 HA SER A 18 80.687 -6.425 -9.065 1.00 0.00 H new ATOM 0 HB2 SER A 18 79.793 -8.636 -8.321 1.00 0.00 H new ATOM 0 HB3 SER A 18 79.411 -7.959 -6.750 1.00 0.00 H new ATOM 0 HG SER A 18 77.583 -7.906 -8.198 1.00 0.00 H new ATOM 347 N GLU A 19 79.390 -4.552 -7.893 1.00 0.00 N ATOM 348 CA GLU A 19 78.959 -3.299 -7.279 1.00 0.00 C ATOM 349 C GLU A 19 78.594 -3.522 -5.816 1.00 0.00 C ATOM 350 O GLU A 19 78.759 -2.628 -4.984 1.00 0.00 O ATOM 351 CB GLU A 19 77.739 -2.749 -8.025 1.00 0.00 C ATOM 352 CG GLU A 19 78.102 -2.507 -9.492 1.00 0.00 C ATOM 353 CD GLU A 19 76.907 -1.923 -10.236 1.00 0.00 C ATOM 354 OE1 GLU A 19 75.806 -2.401 -10.016 1.00 0.00 O ATOM 355 OE2 GLU A 19 77.110 -1.008 -11.017 1.00 0.00 O ATOM 0 H GLU A 19 79.018 -4.718 -8.828 1.00 0.00 H new ATOM 0 HA GLU A 19 79.780 -2.584 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 19 76.910 -3.453 -7.956 1.00 0.00 H new ATOM 0 HB3 GLU A 19 77.407 -1.819 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 19 78.950 -1.825 -9.558 1.00 0.00 H new ATOM 0 HG3 GLU A 19 78.409 -3.443 -9.958 1.00 0.00 H new ATOM 362 N GLU A 20 78.111 -4.720 -5.504 1.00 0.00 N ATOM 363 CA GLU A 20 77.742 -5.048 -4.131 1.00 0.00 C ATOM 364 C GLU A 20 78.981 -5.137 -3.246 1.00 0.00 C ATOM 365 O GLU A 20 78.975 -4.669 -2.109 1.00 0.00 O ATOM 366 CB GLU A 20 76.990 -6.379 -4.099 1.00 0.00 C ATOM 367 CG GLU A 20 75.564 -6.176 -4.616 1.00 0.00 C ATOM 368 CD GLU A 20 74.741 -5.411 -3.585 1.00 0.00 C ATOM 369 OE1 GLU A 20 74.163 -6.054 -2.723 1.00 0.00 O ATOM 370 OE2 GLU A 20 74.705 -4.194 -3.666 1.00 0.00 O ATOM 0 H GLU A 20 77.967 -5.474 -6.176 1.00 0.00 H new ATOM 0 HA GLU A 20 77.097 -4.257 -3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 20 77.508 -7.116 -4.712 1.00 0.00 H new ATOM 0 HB3 GLU A 20 76.967 -6.771 -3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 20 75.584 -5.627 -5.558 1.00 0.00 H new ATOM 0 HG3 GLU A 20 75.101 -7.142 -4.820 1.00 0.00 H new ATOM 377 N ILE A 21 80.041 -5.744 -3.774 1.00 0.00 N ATOM 378 CA ILE A 21 81.275 -5.894 -3.009 1.00 0.00 C ATOM 379 C ILE A 21 82.040 -4.578 -2.980 1.00 0.00 C ATOM 380 O ILE A 21 82.249 -3.996 -1.917 1.00 0.00 O ATOM 381 CB ILE A 21 82.149 -6.977 -3.646 1.00 0.00 C ATOM 382 CG1 ILE A 21 81.286 -8.205 -3.956 1.00 0.00 C ATOM 383 CG2 ILE A 21 83.268 -7.368 -2.678 1.00 0.00 C ATOM 384 CD1 ILE A 21 80.541 -8.643 -2.696 1.00 0.00 C ATOM 0 H ILE A 21 80.071 -6.135 -4.716 1.00 0.00 H new ATOM 0 HA ILE A 21 81.022 -6.182 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 21 82.588 -6.597 -4.568 1.00 0.00 H new ATOM 0 HG12 ILE A 21 80.574 -7.971 -4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 21 81.912 -9.019 -4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 21 83.890 -8.139 -3.133 1.00 0.00 H new ATOM 0 HG22 ILE A 21 83.879 -6.493 -2.456 1.00 0.00 H new ATOM 0 HG23 ILE A 21 82.833 -7.750 -1.755 1.00 0.00 H new ATOM 0 HD11 ILE A 21 79.929 -9.516 -2.920 1.00 0.00 H new ATOM 0 HD12 ILE A 21 81.261 -8.895 -1.917 1.00 0.00 H new ATOM 0 HD13 ILE A 21 79.902 -7.831 -2.350 1.00 0.00 H new ATOM 396 N GLU A 22 82.452 -4.107 -4.152 1.00 0.00 N ATOM 397 CA GLU A 22 83.213 -2.863 -4.242 1.00 0.00 C ATOM 398 C GLU A 22 82.596 -1.814 -3.335 1.00 0.00 C ATOM 399 O GLU A 22 83.297 -1.141 -2.578 1.00 0.00 O ATOM 400 CB GLU A 22 83.208 -2.360 -5.688 1.00 0.00 C ATOM 401 CG GLU A 22 84.099 -1.125 -5.804 1.00 0.00 C ATOM 402 CD GLU A 22 84.189 -0.678 -7.257 1.00 0.00 C ATOM 403 OE1 GLU A 22 83.351 0.105 -7.668 1.00 0.00 O ATOM 404 OE2 GLU A 22 85.094 -1.127 -7.935 1.00 0.00 O ATOM 0 H GLU A 22 82.274 -4.562 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 22 84.240 -3.049 -3.927 1.00 0.00 H new ATOM 0 HB2 GLU A 22 83.565 -3.143 -6.357 1.00 0.00 H new ATOM 0 HB3 GLU A 22 82.191 -2.117 -5.996 1.00 0.00 H new ATOM 0 HG2 GLU A 22 83.697 -0.318 -5.192 1.00 0.00 H new ATOM 0 HG3 GLU A 22 85.095 -1.349 -5.422 1.00 0.00 H new ATOM 411 N ASN A 23 81.281 -1.674 -3.404 1.00 0.00 N ATOM 412 CA ASN A 23 80.585 -0.705 -2.562 1.00 0.00 C ATOM 413 C ASN A 23 80.800 -1.015 -1.083 1.00 0.00 C ATOM 414 O ASN A 23 81.209 -0.150 -0.313 1.00 0.00 O ATOM 415 CB ASN A 23 79.082 -0.755 -2.845 1.00 0.00 C ATOM 416 CG ASN A 23 78.327 0.168 -1.898 1.00 0.00 C ATOM 417 OD1 ASN A 23 77.898 1.239 -2.290 1.00 0.00 O ATOM 418 ND2 ASN A 23 78.144 -0.219 -0.674 1.00 0.00 N ATOM 0 H ASN A 23 80.677 -2.211 -4.026 1.00 0.00 H new ATOM 0 HA ASN A 23 80.986 0.283 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 23 78.891 -0.461 -3.877 1.00 0.00 H new ATOM 0 HB3 ASN A 23 78.719 -1.777 -2.732 1.00 0.00 H new ATOM 0 HD21 ASN A 23 77.634 0.376 -0.022 1.00 0.00 H new ATOM 0 HD22 ASN A 23 78.510 -1.119 -0.363 1.00 0.00 H new ATOM 425 N LEU A 24 80.557 -2.270 -0.692 1.00 0.00 N ATOM 426 CA LEU A 24 80.730 -2.671 0.700 1.00 0.00 C ATOM 427 C LEU A 24 82.127 -2.342 1.183 1.00 0.00 C ATOM 428 O LEU A 24 82.297 -1.897 2.301 1.00 0.00 O ATOM 429 CB LEU A 24 80.472 -4.170 0.845 1.00 0.00 C ATOM 430 CG LEU A 24 78.964 -4.436 0.838 1.00 0.00 C ATOM 431 CD1 LEU A 24 78.710 -5.933 0.661 1.00 0.00 C ATOM 432 CD2 LEU A 24 78.360 -3.973 2.169 1.00 0.00 C ATOM 0 H LEU A 24 80.244 -3.015 -1.314 1.00 0.00 H new ATOM 0 HA LEU A 24 80.014 -2.120 1.309 1.00 0.00 H new ATOM 0 HB2 LEU A 24 80.951 -4.712 0.029 1.00 0.00 H new ATOM 0 HB3 LEU A 24 80.912 -4.537 1.773 1.00 0.00 H new ATOM 0 HG LEU A 24 78.503 -3.889 0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 24 77.636 -6.122 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 24 79.141 -6.266 -0.283 1.00 0.00 H new ATOM 0 HD13 LEU A 24 79.171 -6.480 1.484 1.00 0.00 H new ATOM 0 HD21 LEU A 24 77.286 -4.161 2.166 1.00 0.00 H new ATOM 0 HD22 LEU A 24 78.823 -4.522 2.989 1.00 0.00 H new ATOM 0 HD23 LEU A 24 78.541 -2.906 2.299 1.00 0.00 H new ATOM 444 N TYR A 25 83.114 -2.540 0.328 1.00 0.00 N ATOM 445 CA TYR A 25 84.491 -2.225 0.681 1.00 0.00 C ATOM 446 C TYR A 25 84.626 -0.749 1.039 1.00 0.00 C ATOM 447 O TYR A 25 85.206 -0.402 2.069 1.00 0.00 O ATOM 448 CB TYR A 25 85.416 -2.551 -0.497 1.00 0.00 C ATOM 449 CG TYR A 25 86.764 -1.906 -0.274 1.00 0.00 C ATOM 450 CD1 TYR A 25 87.562 -2.299 0.805 1.00 0.00 C ATOM 451 CD2 TYR A 25 87.218 -0.911 -1.154 1.00 0.00 C ATOM 452 CE1 TYR A 25 88.810 -1.700 1.009 1.00 0.00 C ATOM 453 CE2 TYR A 25 88.466 -0.313 -0.949 1.00 0.00 C ATOM 454 CZ TYR A 25 89.261 -0.706 0.132 1.00 0.00 C ATOM 455 OH TYR A 25 90.492 -0.115 0.335 1.00 0.00 O ATOM 0 H TYR A 25 82.991 -2.916 -0.612 1.00 0.00 H new ATOM 0 HA TYR A 25 84.774 -2.825 1.546 1.00 0.00 H new ATOM 0 HB2 TYR A 25 85.530 -3.631 -0.596 1.00 0.00 H new ATOM 0 HB3 TYR A 25 84.978 -2.190 -1.428 1.00 0.00 H new ATOM 0 HD1 TYR A 25 87.215 -3.066 1.482 1.00 0.00 H new ATOM 0 HD2 TYR A 25 86.604 -0.607 -1.989 1.00 0.00 H new ATOM 0 HE1 TYR A 25 89.425 -2.004 1.843 1.00 0.00 H new ATOM 0 HE2 TYR A 25 88.816 0.452 -1.626 1.00 0.00 H new ATOM 0 HH TYR A 25 90.653 0.553 -0.363 1.00 0.00 H new ATOM 465 N ARG A 26 84.103 0.117 0.180 1.00 0.00 N ATOM 466 CA ARG A 26 84.188 1.553 0.420 1.00 0.00 C ATOM 467 C ARG A 26 83.479 1.928 1.715 1.00 0.00 C ATOM 468 O ARG A 26 84.042 2.621 2.564 1.00 0.00 O ATOM 469 CB ARG A 26 83.535 2.309 -0.743 1.00 0.00 C ATOM 470 CG ARG A 26 84.319 2.048 -2.030 1.00 0.00 C ATOM 471 CD ARG A 26 83.784 2.944 -3.150 1.00 0.00 C ATOM 472 NE ARG A 26 84.386 2.571 -4.425 1.00 0.00 N ATOM 473 CZ ARG A 26 84.299 3.367 -5.484 1.00 0.00 C ATOM 474 NH1 ARG A 26 83.677 4.510 -5.393 1.00 0.00 N ATOM 475 NH2 ARG A 26 84.839 3.006 -6.617 1.00 0.00 N ATOM 0 H ARG A 26 83.621 -0.145 -0.680 1.00 0.00 H new ATOM 0 HA ARG A 26 85.240 1.825 0.501 1.00 0.00 H new ATOM 0 HB2 ARG A 26 82.501 1.987 -0.864 1.00 0.00 H new ATOM 0 HB3 ARG A 26 83.513 3.378 -0.529 1.00 0.00 H new ATOM 0 HG2 ARG A 26 85.379 2.245 -1.868 1.00 0.00 H new ATOM 0 HG3 ARG A 26 84.230 1.000 -2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 26 82.700 2.853 -3.211 1.00 0.00 H new ATOM 0 HD3 ARG A 26 84.005 3.988 -2.927 1.00 0.00 H new ATOM 0 HE ARG A 26 84.882 1.683 -4.504 1.00 0.00 H new ATOM 0 HH11 ARG A 26 83.257 4.793 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 26 83.611 5.121 -6.207 1.00 0.00 H new ATOM 0 HH21 ARG A 26 85.327 2.113 -6.688 1.00 0.00 H new ATOM 0 HH22 ARG A 26 84.773 3.617 -7.431 1.00 0.00 H new ATOM 489 N PHE A 27 82.239 1.457 1.870 1.00 0.00 N ATOM 490 CA PHE A 27 81.465 1.751 3.072 1.00 0.00 C ATOM 491 C PHE A 27 82.123 1.143 4.304 1.00 0.00 C ATOM 492 O PHE A 27 82.327 1.820 5.310 1.00 0.00 O ATOM 493 CB PHE A 27 80.044 1.218 2.921 1.00 0.00 C ATOM 494 CG PHE A 27 79.211 2.208 2.142 1.00 0.00 C ATOM 495 CD1 PHE A 27 79.151 2.133 0.745 1.00 0.00 C ATOM 496 CD2 PHE A 27 78.494 3.202 2.818 1.00 0.00 C ATOM 497 CE1 PHE A 27 78.376 3.050 0.028 1.00 0.00 C ATOM 498 CE2 PHE A 27 77.721 4.118 2.094 1.00 0.00 C ATOM 499 CZ PHE A 27 77.662 4.041 0.701 1.00 0.00 C ATOM 0 H PHE A 27 81.756 0.877 1.184 1.00 0.00 H new ATOM 0 HA PHE A 27 81.430 2.833 3.202 1.00 0.00 H new ATOM 0 HB2 PHE A 27 80.058 0.256 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 27 79.602 1.049 3.903 1.00 0.00 H new ATOM 0 HD1 PHE A 27 79.703 1.367 0.221 1.00 0.00 H new ATOM 0 HD2 PHE A 27 78.537 3.262 3.895 1.00 0.00 H new ATOM 0 HE1 PHE A 27 78.330 2.991 -1.049 1.00 0.00 H new ATOM 0 HE2 PHE A 27 77.169 4.886 2.615 1.00 0.00 H new ATOM 0 HZ PHE A 27 77.064 4.748 0.145 1.00 0.00 H new ATOM 509 N GLN A 28 82.458 -0.137 4.214 1.00 0.00 N ATOM 510 CA GLN A 28 83.094 -0.832 5.325 1.00 0.00 C ATOM 511 C GLN A 28 84.332 -0.075 5.782 1.00 0.00 C ATOM 512 O GLN A 28 84.562 0.082 6.983 1.00 0.00 O ATOM 513 CB GLN A 28 83.498 -2.245 4.897 1.00 0.00 C ATOM 514 CG GLN A 28 82.275 -3.164 4.933 1.00 0.00 C ATOM 515 CD GLN A 28 82.661 -4.563 4.462 1.00 0.00 C ATOM 516 OE1 GLN A 28 83.807 -4.980 4.626 1.00 0.00 O ATOM 517 NE2 GLN A 28 81.764 -5.315 3.888 1.00 0.00 N ATOM 0 H GLN A 28 82.301 -0.713 3.387 1.00 0.00 H new ATOM 0 HA GLN A 28 82.382 -0.889 6.149 1.00 0.00 H new ATOM 0 HB2 GLN A 28 83.920 -2.224 3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 28 84.273 -2.629 5.560 1.00 0.00 H new ATOM 0 HG2 GLN A 28 81.874 -3.210 5.945 1.00 0.00 H new ATOM 0 HG3 GLN A 28 81.488 -2.761 4.296 1.00 0.00 H new ATOM 0 HE21 GLN A 28 80.815 -4.965 3.754 1.00 0.00 H new ATOM 0 HE22 GLN A 28 82.011 -6.253 3.573 1.00 0.00 H new ATOM 526 N GLN A 29 85.112 0.414 4.826 1.00 0.00 N ATOM 527 CA GLN A 29 86.318 1.173 5.153 1.00 0.00 C ATOM 528 C GLN A 29 85.974 2.411 5.974 1.00 0.00 C ATOM 529 O GLN A 29 86.675 2.742 6.925 1.00 0.00 O ATOM 530 CB GLN A 29 87.034 1.586 3.866 1.00 0.00 C ATOM 531 CG GLN A 29 87.807 0.394 3.298 1.00 0.00 C ATOM 532 CD GLN A 29 89.049 0.133 4.145 1.00 0.00 C ATOM 533 OE1 GLN A 29 89.929 0.991 4.238 1.00 0.00 O ATOM 534 NE2 GLN A 29 89.177 -1.004 4.771 1.00 0.00 N ATOM 0 H GLN A 29 84.936 0.302 3.828 1.00 0.00 H new ATOM 0 HA GLN A 29 86.975 0.538 5.747 1.00 0.00 H new ATOM 0 HB2 GLN A 29 86.309 1.943 3.134 1.00 0.00 H new ATOM 0 HB3 GLN A 29 87.717 2.411 4.068 1.00 0.00 H new ATOM 0 HG2 GLN A 29 87.171 -0.491 3.286 1.00 0.00 H new ATOM 0 HG3 GLN A 29 88.095 0.594 2.266 1.00 0.00 H new ATOM 0 HE21 GLN A 29 88.448 -1.714 4.694 1.00 0.00 H new ATOM 0 HE22 GLN A 29 90.006 -1.184 5.338 1.00 0.00 H new ATOM 543 N ALA A 30 84.892 3.082 5.598 1.00 0.00 N ATOM 544 CA ALA A 30 84.457 4.278 6.310 1.00 0.00 C ATOM 545 C ALA A 30 83.976 3.917 7.712 1.00 0.00 C ATOM 546 O ALA A 30 83.853 4.783 8.579 1.00 0.00 O ATOM 547 CB ALA A 30 83.345 4.976 5.539 1.00 0.00 C ATOM 0 H ALA A 30 84.302 2.820 4.808 1.00 0.00 H new ATOM 0 HA ALA A 30 85.305 4.957 6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 30 83.030 5.867 6.082 1.00 0.00 H new ATOM 0 HB2 ALA A 30 83.710 5.262 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 30 82.498 4.299 5.430 1.00 0.00 H new ATOM 553 N GLY A 31 83.709 2.634 7.927 1.00 0.00 N ATOM 554 CA GLY A 31 83.245 2.169 9.229 1.00 0.00 C ATOM 555 C GLY A 31 81.754 1.860 9.212 1.00 0.00 C ATOM 556 O GLY A 31 81.160 1.586 10.255 1.00 0.00 O ATOM 0 H GLY A 31 83.805 1.902 7.223 1.00 0.00 H new ATOM 0 HA2 GLY A 31 83.800 1.276 9.516 1.00 0.00 H new ATOM 0 HA3 GLY A 31 83.452 2.929 9.983 1.00 0.00 H new ATOM 560 N TYR A 32 81.156 1.898 8.024 1.00 0.00 N ATOM 561 CA TYR A 32 79.741 1.611 7.884 1.00 0.00 C ATOM 562 C TYR A 32 79.530 0.230 7.273 1.00 0.00 C ATOM 563 O TYR A 32 80.310 -0.218 6.446 1.00 0.00 O ATOM 564 CB TYR A 32 79.084 2.665 6.994 1.00 0.00 C ATOM 565 CG TYR A 32 79.317 4.038 7.580 1.00 0.00 C ATOM 566 CD1 TYR A 32 79.078 4.276 8.942 1.00 0.00 C ATOM 567 CD2 TYR A 32 79.782 5.077 6.763 1.00 0.00 C ATOM 568 CE1 TYR A 32 79.302 5.543 9.480 1.00 0.00 C ATOM 569 CE2 TYR A 32 80.004 6.347 7.307 1.00 0.00 C ATOM 570 CZ TYR A 32 79.766 6.580 8.665 1.00 0.00 C ATOM 571 OH TYR A 32 79.981 7.835 9.200 1.00 0.00 O ATOM 0 H TYR A 32 81.632 2.124 7.151 1.00 0.00 H new ATOM 0 HA TYR A 32 79.286 1.631 8.874 1.00 0.00 H new ATOM 0 HB2 TYR A 32 79.497 2.614 5.986 1.00 0.00 H new ATOM 0 HB3 TYR A 32 78.015 2.470 6.911 1.00 0.00 H new ATOM 0 HD1 TYR A 32 78.720 3.477 9.574 1.00 0.00 H new ATOM 0 HD2 TYR A 32 79.969 4.898 5.714 1.00 0.00 H new ATOM 0 HE1 TYR A 32 79.117 5.724 10.529 1.00 0.00 H new ATOM 0 HE2 TYR A 32 80.360 7.149 6.677 1.00 0.00 H new ATOM 0 HH TYR A 32 80.304 8.439 8.499 1.00 0.00 H new ATOM 581 N ARG A 33 78.458 -0.435 7.691 1.00 0.00 N ATOM 582 CA ARG A 33 78.149 -1.770 7.179 1.00 0.00 C ATOM 583 C ARG A 33 77.461 -1.672 5.821 1.00 0.00 C ATOM 584 O ARG A 33 77.673 -2.508 4.943 1.00 0.00 O ATOM 585 CB ARG A 33 77.251 -2.517 8.162 1.00 0.00 C ATOM 586 CG ARG A 33 76.190 -1.561 8.707 1.00 0.00 C ATOM 587 CD ARG A 33 76.609 -1.071 10.094 1.00 0.00 C ATOM 588 NE ARG A 33 76.596 -2.177 11.045 1.00 0.00 N ATOM 589 CZ ARG A 33 77.340 -2.146 12.144 1.00 0.00 C ATOM 590 NH1 ARG A 33 78.103 -1.115 12.387 1.00 0.00 N ATOM 591 NH2 ARG A 33 77.312 -3.148 12.980 1.00 0.00 N ATOM 0 H ARG A 33 77.793 -0.078 8.377 1.00 0.00 H new ATOM 0 HA ARG A 33 79.083 -2.320 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 33 76.774 -3.362 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 33 77.846 -2.922 8.980 1.00 0.00 H new ATOM 0 HG2 ARG A 33 76.067 -0.714 8.032 1.00 0.00 H new ATOM 0 HG3 ARG A 33 75.225 -2.065 8.764 1.00 0.00 H new ATOM 0 HD2 ARG A 33 77.606 -0.634 10.047 1.00 0.00 H new ATOM 0 HD3 ARG A 33 75.932 -0.285 10.430 1.00 0.00 H new ATOM 0 HE ARG A 33 76.005 -2.988 10.862 1.00 0.00 H new ATOM 0 HH11 ARG A 33 78.128 -0.333 11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 33 78.675 -1.091 13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 33 76.718 -3.955 12.789 1.00 0.00 H new ATOM 0 HH22 ARG A 33 77.884 -3.124 13.824 1.00 0.00 H new ATOM 605 N ASP A 34 76.637 -0.643 5.654 1.00 0.00 N ATOM 606 CA ASP A 34 75.925 -0.437 4.398 1.00 0.00 C ATOM 607 C ASP A 34 75.421 0.999 4.298 1.00 0.00 C ATOM 608 O ASP A 34 75.480 1.759 5.269 1.00 0.00 O ATOM 609 CB ASP A 34 74.751 -1.406 4.289 1.00 0.00 C ATOM 610 CG ASP A 34 73.806 -1.206 5.468 1.00 0.00 C ATOM 611 OD1 ASP A 34 74.118 -0.391 6.322 1.00 0.00 O ATOM 612 OD2 ASP A 34 72.784 -1.871 5.500 1.00 0.00 O ATOM 0 H ASP A 34 76.446 0.059 6.369 1.00 0.00 H new ATOM 0 HA ASP A 34 76.618 -0.624 3.578 1.00 0.00 H new ATOM 0 HB2 ASP A 34 74.218 -1.242 3.352 1.00 0.00 H new ATOM 0 HB3 ASP A 34 75.115 -2.433 4.273 1.00 0.00 H new ATOM 617 N GLU A 35 74.942 1.371 3.118 1.00 0.00 N ATOM 618 CA GLU A 35 74.451 2.724 2.898 1.00 0.00 C ATOM 619 C GLU A 35 73.505 3.132 4.019 1.00 0.00 C ATOM 620 O GLU A 35 73.449 4.301 4.401 1.00 0.00 O ATOM 621 CB GLU A 35 73.712 2.800 1.556 1.00 0.00 C ATOM 622 CG GLU A 35 74.576 2.169 0.461 1.00 0.00 C ATOM 623 CD GLU A 35 74.335 0.663 0.407 1.00 0.00 C ATOM 624 OE1 GLU A 35 73.203 0.252 0.607 1.00 0.00 O ATOM 625 OE2 GLU A 35 75.286 -0.063 0.173 1.00 0.00 O ATOM 0 H GLU A 35 74.883 0.759 2.304 1.00 0.00 H new ATOM 0 HA GLU A 35 75.303 3.404 2.884 1.00 0.00 H new ATOM 0 HB2 GLU A 35 72.756 2.280 1.625 1.00 0.00 H new ATOM 0 HB3 GLU A 35 73.493 3.838 1.308 1.00 0.00 H new ATOM 0 HG2 GLU A 35 74.340 2.618 -0.504 1.00 0.00 H new ATOM 0 HG3 GLU A 35 75.629 2.370 0.657 1.00 0.00 H new ATOM 632 N ILE A 36 72.743 2.170 4.530 1.00 0.00 N ATOM 633 CA ILE A 36 71.785 2.463 5.583 1.00 0.00 C ATOM 634 C ILE A 36 72.461 3.136 6.766 1.00 0.00 C ATOM 635 O ILE A 36 71.994 4.172 7.245 1.00 0.00 O ATOM 636 CB ILE A 36 71.132 1.155 6.060 1.00 0.00 C ATOM 637 CG1 ILE A 36 70.457 0.456 4.871 1.00 0.00 C ATOM 638 CG2 ILE A 36 70.079 1.461 7.131 1.00 0.00 C ATOM 639 CD1 ILE A 36 69.448 1.402 4.215 1.00 0.00 C ATOM 0 H ILE A 36 72.771 1.194 4.235 1.00 0.00 H new ATOM 0 HA ILE A 36 71.031 3.139 5.179 1.00 0.00 H new ATOM 0 HB ILE A 36 71.899 0.505 6.481 1.00 0.00 H new ATOM 0 HG12 ILE A 36 71.209 0.150 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 36 69.953 -0.450 5.209 1.00 0.00 H new ATOM 0 HG21 ILE A 36 69.619 0.531 7.466 1.00 0.00 H new ATOM 0 HG22 ILE A 36 70.554 1.956 7.978 1.00 0.00 H new ATOM 0 HG23 ILE A 36 69.313 2.114 6.712 1.00 0.00 H new ATOM 0 HD11 ILE A 36 68.973 0.900 3.372 1.00 0.00 H new ATOM 0 HD12 ILE A 36 68.688 1.686 4.943 1.00 0.00 H new ATOM 0 HD13 ILE A 36 69.963 2.295 3.861 1.00 0.00 H new ATOM 651 N GLU A 37 73.559 2.558 7.225 1.00 0.00 N ATOM 652 CA GLU A 37 74.294 3.122 8.350 1.00 0.00 C ATOM 653 C GLU A 37 74.856 4.495 7.997 1.00 0.00 C ATOM 654 O GLU A 37 74.857 5.410 8.821 1.00 0.00 O ATOM 655 CB GLU A 37 75.443 2.189 8.746 1.00 0.00 C ATOM 656 CG GLU A 37 76.035 2.642 10.081 1.00 0.00 C ATOM 657 CD GLU A 37 75.032 2.397 11.205 1.00 0.00 C ATOM 658 OE1 GLU A 37 74.109 1.628 10.990 1.00 0.00 O ATOM 659 OE2 GLU A 37 75.202 2.980 12.262 1.00 0.00 O ATOM 0 H GLU A 37 73.961 1.703 6.840 1.00 0.00 H new ATOM 0 HA GLU A 37 73.604 3.229 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 37 75.081 1.164 8.826 1.00 0.00 H new ATOM 0 HB3 GLU A 37 76.213 2.196 7.974 1.00 0.00 H new ATOM 0 HG2 GLU A 37 76.959 2.099 10.282 1.00 0.00 H new ATOM 0 HG3 GLU A 37 76.291 3.701 10.035 1.00 0.00 H new ATOM 666 N TYR A 38 75.331 4.632 6.768 1.00 0.00 N ATOM 667 CA TYR A 38 75.889 5.896 6.314 1.00 0.00 C ATOM 668 C TYR A 38 74.849 6.999 6.327 1.00 0.00 C ATOM 669 O TYR A 38 75.100 8.107 6.810 1.00 0.00 O ATOM 670 CB TYR A 38 76.446 5.746 4.900 1.00 0.00 C ATOM 671 CG TYR A 38 76.739 7.113 4.318 1.00 0.00 C ATOM 672 CD1 TYR A 38 77.701 7.936 4.910 1.00 0.00 C ATOM 673 CD2 TYR A 38 76.043 7.554 3.184 1.00 0.00 C ATOM 674 CE1 TYR A 38 77.964 9.202 4.372 1.00 0.00 C ATOM 675 CE2 TYR A 38 76.309 8.818 2.645 1.00 0.00 C ATOM 676 CZ TYR A 38 77.270 9.642 3.241 1.00 0.00 C ATOM 677 OH TYR A 38 77.532 10.889 2.712 1.00 0.00 O ATOM 0 H TYR A 38 75.341 3.888 6.071 1.00 0.00 H new ATOM 0 HA TYR A 38 76.690 6.168 7.001 1.00 0.00 H new ATOM 0 HB2 TYR A 38 77.356 5.146 4.919 1.00 0.00 H new ATOM 0 HB3 TYR A 38 75.729 5.218 4.271 1.00 0.00 H new ATOM 0 HD1 TYR A 38 78.241 7.596 5.781 1.00 0.00 H new ATOM 0 HD2 TYR A 38 75.301 6.918 2.726 1.00 0.00 H new ATOM 0 HE1 TYR A 38 78.704 9.840 4.832 1.00 0.00 H new ATOM 0 HE2 TYR A 38 75.773 9.157 1.771 1.00 0.00 H new ATOM 0 HH TYR A 38 76.964 11.037 1.927 1.00 0.00 H new ATOM 687 N LYS A 39 73.674 6.706 5.780 1.00 0.00 N ATOM 688 CA LYS A 39 72.613 7.697 5.703 1.00 0.00 C ATOM 689 C LYS A 39 72.231 8.197 7.084 1.00 0.00 C ATOM 690 O LYS A 39 71.998 9.389 7.274 1.00 0.00 O ATOM 691 CB LYS A 39 71.379 7.078 5.027 1.00 0.00 C ATOM 692 CG LYS A 39 71.674 6.825 3.544 1.00 0.00 C ATOM 693 CD LYS A 39 70.471 6.140 2.891 1.00 0.00 C ATOM 694 CE LYS A 39 70.774 5.875 1.415 1.00 0.00 C ATOM 695 NZ LYS A 39 69.620 5.167 0.791 1.00 0.00 N ATOM 0 H LYS A 39 73.436 5.796 5.386 1.00 0.00 H new ATOM 0 HA LYS A 39 72.976 8.542 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 39 71.114 6.143 5.520 1.00 0.00 H new ATOM 0 HB3 LYS A 39 70.523 7.746 5.129 1.00 0.00 H new ATOM 0 HG2 LYS A 39 71.887 7.767 3.039 1.00 0.00 H new ATOM 0 HG3 LYS A 39 72.561 6.200 3.441 1.00 0.00 H new ATOM 0 HD2 LYS A 39 70.251 5.203 3.402 1.00 0.00 H new ATOM 0 HD3 LYS A 39 69.586 6.769 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 39 70.961 6.815 0.896 1.00 0.00 H new ATOM 0 HE3 LYS A 39 71.678 5.273 1.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 69.825 4.986 -0.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 69.462 4.263 1.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 68.767 5.757 0.869 1.00 0.00 H new ATOM 709 N GLN A 40 72.165 7.286 8.041 1.00 0.00 N ATOM 710 CA GLN A 40 71.812 7.654 9.404 1.00 0.00 C ATOM 711 C GLN A 40 72.835 8.625 9.987 1.00 0.00 C ATOM 712 O GLN A 40 72.475 9.571 10.685 1.00 0.00 O ATOM 713 CB GLN A 40 71.746 6.397 10.281 1.00 0.00 C ATOM 714 CG GLN A 40 71.222 6.769 11.672 1.00 0.00 C ATOM 715 CD GLN A 40 71.037 5.510 12.513 1.00 0.00 C ATOM 716 OE1 GLN A 40 71.194 4.398 12.011 1.00 0.00 O ATOM 717 NE2 GLN A 40 70.711 5.621 13.772 1.00 0.00 N ATOM 0 H GLN A 40 72.350 6.293 7.902 1.00 0.00 H new ATOM 0 HA GLN A 40 70.838 8.142 9.385 1.00 0.00 H new ATOM 0 HB2 GLN A 40 71.093 5.655 9.822 1.00 0.00 H new ATOM 0 HB3 GLN A 40 72.735 5.945 10.362 1.00 0.00 H new ATOM 0 HG2 GLN A 40 71.921 7.446 12.164 1.00 0.00 H new ATOM 0 HG3 GLN A 40 70.274 7.299 11.583 1.00 0.00 H new ATOM 0 HE21 GLN A 40 70.581 6.544 14.186 1.00 0.00 H new ATOM 0 HE22 GLN A 40 70.586 4.784 14.342 1.00 0.00 H new ATOM 726 N VAL A 41 74.105 8.379 9.696 1.00 0.00 N ATOM 727 CA VAL A 41 75.171 9.230 10.211 1.00 0.00 C ATOM 728 C VAL A 41 75.014 10.662 9.713 1.00 0.00 C ATOM 729 O VAL A 41 75.143 11.613 10.483 1.00 0.00 O ATOM 730 CB VAL A 41 76.531 8.684 9.774 1.00 0.00 C ATOM 731 CG1 VAL A 41 77.631 9.675 10.161 1.00 0.00 C ATOM 732 CG2 VAL A 41 76.790 7.342 10.462 1.00 0.00 C ATOM 0 H VAL A 41 74.421 7.605 9.112 1.00 0.00 H new ATOM 0 HA VAL A 41 75.109 9.231 11.299 1.00 0.00 H new ATOM 0 HB VAL A 41 76.532 8.544 8.693 1.00 0.00 H new ATOM 0 HG11 VAL A 41 78.599 9.284 9.849 1.00 0.00 H new ATOM 0 HG12 VAL A 41 77.450 10.630 9.669 1.00 0.00 H new ATOM 0 HG13 VAL A 41 77.629 9.817 11.242 1.00 0.00 H new ATOM 0 HG21 VAL A 41 77.760 6.954 10.150 1.00 0.00 H new ATOM 0 HG22 VAL A 41 76.786 7.481 11.543 1.00 0.00 H new ATOM 0 HG23 VAL A 41 76.009 6.634 10.184 1.00 0.00 H new ATOM 742 N LYS A 42 74.733 10.805 8.424 1.00 0.00 N ATOM 743 CA LYS A 42 74.560 12.124 7.829 1.00 0.00 C ATOM 744 C LYS A 42 73.085 12.468 7.689 1.00 0.00 C ATOM 745 O LYS A 42 72.731 13.513 7.138 1.00 0.00 O ATOM 746 CB LYS A 42 75.238 12.170 6.460 1.00 0.00 C ATOM 747 CG LYS A 42 76.753 12.038 6.629 1.00 0.00 C ATOM 748 CD LYS A 42 77.361 13.419 6.896 1.00 0.00 C ATOM 749 CE LYS A 42 78.885 13.319 6.865 1.00 0.00 C ATOM 750 NZ LYS A 42 79.295 11.905 7.084 1.00 0.00 N ATOM 0 H LYS A 42 74.620 10.028 7.773 1.00 0.00 H new ATOM 0 HA LYS A 42 75.022 12.860 8.487 1.00 0.00 H new ATOM 0 HB2 LYS A 42 74.861 11.364 5.830 1.00 0.00 H new ATOM 0 HB3 LYS A 42 74.999 13.107 5.957 1.00 0.00 H new ATOM 0 HG2 LYS A 42 76.980 11.363 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 42 77.193 11.603 5.732 1.00 0.00 H new ATOM 0 HD2 LYS A 42 77.017 14.131 6.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 77.030 13.793 7.865 1.00 0.00 H new ATOM 0 HE2 LYS A 42 79.264 13.674 5.907 1.00 0.00 H new ATOM 0 HE3 LYS A 42 79.318 13.958 7.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 80.100 11.875 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 78.499 11.371 7.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 79.573 11.480 6.177 1.00 0.00 H new ATOM 764 N GLN A 43 72.228 11.587 8.190 1.00 0.00 N ATOM 765 CA GLN A 43 70.791 11.815 8.113 1.00 0.00 C ATOM 766 C GLN A 43 70.386 12.271 6.717 1.00 0.00 C ATOM 767 O GLN A 43 69.770 13.324 6.557 1.00 0.00 O ATOM 768 CB GLN A 43 70.369 12.864 9.141 1.00 0.00 C ATOM 769 CG GLN A 43 70.702 12.368 10.550 1.00 0.00 C ATOM 770 CD GLN A 43 72.028 12.961 11.013 1.00 0.00 C ATOM 771 OE1 GLN A 43 72.905 13.238 10.197 1.00 0.00 O ATOM 772 NE2 GLN A 43 72.226 13.174 12.286 1.00 0.00 N ATOM 0 H GLN A 43 72.499 10.717 8.649 1.00 0.00 H new ATOM 0 HA GLN A 43 70.287 10.873 8.330 1.00 0.00 H new ATOM 0 HB2 GLN A 43 70.882 13.806 8.946 1.00 0.00 H new ATOM 0 HB3 GLN A 43 69.300 13.060 9.057 1.00 0.00 H new ATOM 0 HG2 GLN A 43 69.907 12.650 11.241 1.00 0.00 H new ATOM 0 HG3 GLN A 43 70.759 11.280 10.557 1.00 0.00 H new ATOM 0 HE21 GLN A 43 71.497 12.943 12.961 1.00 0.00 H new ATOM 0 HE22 GLN A 43 73.110 13.571 12.605 1.00 0.00 H new ATOM 781 N VAL A 44 70.741 11.477 5.712 1.00 0.00 N ATOM 782 CA VAL A 44 70.415 11.809 4.330 1.00 0.00 C ATOM 783 C VAL A 44 69.675 10.658 3.663 1.00 0.00 C ATOM 784 O VAL A 44 69.302 9.684 4.319 1.00 0.00 O ATOM 785 CB VAL A 44 71.689 12.126 3.549 1.00 0.00 C ATOM 786 CG1 VAL A 44 72.338 13.390 4.114 1.00 0.00 C ATOM 787 CG2 VAL A 44 72.663 10.954 3.678 1.00 0.00 C ATOM 0 H VAL A 44 71.253 10.602 5.828 1.00 0.00 H new ATOM 0 HA VAL A 44 69.769 12.687 4.332 1.00 0.00 H new ATOM 0 HB VAL A 44 71.442 12.286 2.500 1.00 0.00 H new ATOM 0 HG11 VAL A 44 73.247 13.614 3.555 1.00 0.00 H new ATOM 0 HG12 VAL A 44 71.644 14.226 4.027 1.00 0.00 H new ATOM 0 HG13 VAL A 44 72.587 13.233 5.163 1.00 0.00 H new ATOM 0 HG21 VAL A 44 73.574 11.175 3.122 1.00 0.00 H new ATOM 0 HG22 VAL A 44 72.908 10.798 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 44 72.202 10.052 3.275 1.00 0.00 H new ATOM 797 N ALA A 45 69.457 10.779 2.359 1.00 0.00 N ATOM 798 CA ALA A 45 68.750 9.745 1.614 1.00 0.00 C ATOM 799 C ALA A 45 69.458 9.442 0.299 1.00 0.00 C ATOM 800 O ALA A 45 69.470 8.302 -0.163 1.00 0.00 O ATOM 801 CB ALA A 45 67.317 10.203 1.324 1.00 0.00 C ATOM 0 H ALA A 45 69.757 11.577 1.799 1.00 0.00 H new ATOM 0 HA ALA A 45 68.734 8.839 2.220 1.00 0.00 H new ATOM 0 HB1 ALA A 45 66.793 9.427 0.767 1.00 0.00 H new ATOM 0 HB2 ALA A 45 66.797 10.389 2.264 1.00 0.00 H new ATOM 0 HB3 ALA A 45 67.340 11.120 0.735 1.00 0.00 H new ATOM 807 N MET A 46 70.046 10.471 -0.301 1.00 0.00 N ATOM 808 CA MET A 46 70.749 10.307 -1.566 1.00 0.00 C ATOM 809 C MET A 46 72.258 10.336 -1.363 1.00 0.00 C ATOM 810 O MET A 46 72.778 11.192 -0.649 1.00 0.00 O ATOM 811 CB MET A 46 70.347 11.425 -2.534 1.00 0.00 C ATOM 812 CG MET A 46 69.235 10.928 -3.461 1.00 0.00 C ATOM 813 SD MET A 46 69.911 9.696 -4.604 1.00 0.00 S ATOM 814 CE MET A 46 68.345 9.213 -5.369 1.00 0.00 C ATOM 0 H MET A 46 70.050 11.422 0.067 1.00 0.00 H new ATOM 0 HA MET A 46 70.472 9.338 -1.982 1.00 0.00 H new ATOM 0 HB2 MET A 46 70.006 12.297 -1.976 1.00 0.00 H new ATOM 0 HB3 MET A 46 71.210 11.739 -3.121 1.00 0.00 H new ATOM 0 HG2 MET A 46 68.426 10.492 -2.875 1.00 0.00 H new ATOM 0 HG3 MET A 46 68.811 11.763 -4.018 1.00 0.00 H new ATOM 0 HE1 MET A 46 68.529 8.446 -6.121 1.00 0.00 H new ATOM 0 HE2 MET A 46 67.674 8.819 -4.606 1.00 0.00 H new ATOM 0 HE3 MET A 46 67.887 10.082 -5.841 1.00 0.00 H new ATOM 824 N VAL A 47 72.952 9.388 -1.987 1.00 0.00 N ATOM 825 CA VAL A 47 74.404 9.313 -1.866 1.00 0.00 C ATOM 826 C VAL A 47 75.062 9.755 -3.170 1.00 0.00 C ATOM 827 O VAL A 47 74.617 9.388 -4.261 1.00 0.00 O ATOM 828 CB VAL A 47 74.833 7.888 -1.531 1.00 0.00 C ATOM 829 CG1 VAL A 47 76.328 7.869 -1.215 1.00 0.00 C ATOM 830 CG2 VAL A 47 74.043 7.394 -0.322 1.00 0.00 C ATOM 0 H VAL A 47 72.536 8.667 -2.577 1.00 0.00 H new ATOM 0 HA VAL A 47 74.721 9.977 -1.062 1.00 0.00 H new ATOM 0 HB VAL A 47 74.637 7.235 -2.382 1.00 0.00 H new ATOM 0 HG11 VAL A 47 76.636 6.851 -0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 47 76.887 8.223 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 47 76.528 8.519 -0.363 1.00 0.00 H new ATOM 0 HG21 VAL A 47 74.347 6.376 -0.080 1.00 0.00 H new ATOM 0 HG22 VAL A 47 74.239 8.044 0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 47 72.978 7.409 -0.552 1.00 0.00 H new ATOM 840 N ASP A 48 76.122 10.551 -3.059 1.00 0.00 N ATOM 841 CA ASP A 48 76.822 11.044 -4.237 1.00 0.00 C ATOM 842 C ASP A 48 77.422 9.891 -5.031 1.00 0.00 C ATOM 843 O ASP A 48 78.253 9.138 -4.524 1.00 0.00 O ATOM 844 CB ASP A 48 77.941 12.002 -3.812 1.00 0.00 C ATOM 845 CG ASP A 48 78.517 12.711 -5.033 1.00 0.00 C ATOM 846 OD1 ASP A 48 78.445 12.144 -6.111 1.00 0.00 O ATOM 847 OD2 ASP A 48 79.004 13.818 -4.875 1.00 0.00 O ATOM 0 H ASP A 48 76.512 10.866 -2.170 1.00 0.00 H new ATOM 0 HA ASP A 48 76.104 11.569 -4.867 1.00 0.00 H new ATOM 0 HB2 ASP A 48 77.553 12.736 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 48 78.728 11.449 -3.298 1.00 0.00 H new ATOM 852 N ARG A 49 76.992 9.755 -6.281 1.00 0.00 N ATOM 853 CA ARG A 49 77.486 8.689 -7.142 1.00 0.00 C ATOM 854 C ARG A 49 77.686 9.196 -8.565 1.00 0.00 C ATOM 855 O ARG A 49 77.093 10.198 -8.965 1.00 0.00 O ATOM 856 CB ARG A 49 76.499 7.519 -7.149 1.00 0.00 C ATOM 857 CG ARG A 49 76.507 6.834 -5.781 1.00 0.00 C ATOM 858 CD ARG A 49 75.421 5.758 -5.742 1.00 0.00 C ATOM 859 NE ARG A 49 75.433 5.078 -4.452 1.00 0.00 N ATOM 860 CZ ARG A 49 76.282 4.087 -4.207 1.00 0.00 C ATOM 861 NH1 ARG A 49 77.126 3.708 -5.128 1.00 0.00 N ATOM 862 NH2 ARG A 49 76.274 3.491 -3.045 1.00 0.00 N ATOM 0 H ARG A 49 76.304 10.368 -6.719 1.00 0.00 H new ATOM 0 HA ARG A 49 78.446 8.351 -6.751 1.00 0.00 H new ATOM 0 HB2 ARG A 49 75.496 7.877 -7.382 1.00 0.00 H new ATOM 0 HB3 ARG A 49 76.771 6.805 -7.926 1.00 0.00 H new ATOM 0 HG2 ARG A 49 77.483 6.387 -5.592 1.00 0.00 H new ATOM 0 HG3 ARG A 49 76.335 7.568 -4.994 1.00 0.00 H new ATOM 0 HD2 ARG A 49 74.444 6.210 -5.914 1.00 0.00 H new ATOM 0 HD3 ARG A 49 75.584 5.037 -6.543 1.00 0.00 H new ATOM 0 HE ARG A 49 74.778 5.369 -3.726 1.00 0.00 H new ATOM 0 HH11 ARG A 49 77.133 4.173 -6.036 1.00 0.00 H new ATOM 0 HH12 ARG A 49 77.778 2.947 -4.940 1.00 0.00 H new ATOM 0 HH21 ARG A 49 75.615 3.787 -2.325 1.00 0.00 H new ATOM 0 HH22 ARG A 49 76.927 2.730 -2.858 1.00 0.00 H new ATOM 876 N TRP A 50 78.521 8.495 -9.328 1.00 0.00 N ATOM 877 CA TRP A 50 78.781 8.880 -10.702 1.00 0.00 C ATOM 878 C TRP A 50 77.872 8.112 -11.662 1.00 0.00 C ATOM 879 O TRP A 50 77.625 6.930 -11.478 1.00 0.00 O ATOM 880 CB TRP A 50 80.239 8.610 -11.066 1.00 0.00 C ATOM 881 CG TRP A 50 81.123 9.449 -10.199 1.00 0.00 C ATOM 882 CD1 TRP A 50 81.489 9.145 -8.934 1.00 0.00 C ATOM 883 CD2 TRP A 50 81.766 10.718 -10.518 1.00 0.00 C ATOM 884 NE1 TRP A 50 82.307 10.150 -8.451 1.00 0.00 N ATOM 885 CE2 TRP A 50 82.510 11.141 -9.392 1.00 0.00 C ATOM 886 CE3 TRP A 50 81.774 11.535 -11.663 1.00 0.00 C ATOM 887 CZ2 TRP A 50 83.236 12.332 -9.401 1.00 0.00 C ATOM 888 CZ3 TRP A 50 82.504 12.735 -11.675 1.00 0.00 C ATOM 889 CH2 TRP A 50 83.234 13.132 -10.545 1.00 0.00 C ATOM 0 H TRP A 50 79.023 7.664 -9.016 1.00 0.00 H new ATOM 0 HA TRP A 50 78.576 9.947 -10.794 1.00 0.00 H new ATOM 0 HB2 TRP A 50 80.471 7.554 -10.930 1.00 0.00 H new ATOM 0 HB3 TRP A 50 80.413 8.842 -12.117 1.00 0.00 H new ATOM 0 HD1 TRP A 50 81.191 8.261 -8.389 1.00 0.00 H new ATOM 0 HE1 TRP A 50 82.711 10.159 -7.514 1.00 0.00 H new ATOM 0 HE3 TRP A 50 81.215 11.238 -12.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 83.796 12.633 -8.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 82.503 13.355 -12.559 1.00 0.00 H new ATOM 0 HH2 TRP A 50 83.794 14.055 -10.560 1.00 0.00 H new ATOM 900 N PRO A 51 77.388 8.757 -12.685 1.00 0.00 N ATOM 901 CA PRO A 51 76.501 8.114 -13.696 1.00 0.00 C ATOM 902 C PRO A 51 77.228 7.041 -14.503 1.00 0.00 C ATOM 903 O PRO A 51 76.618 6.071 -14.953 1.00 0.00 O ATOM 904 CB PRO A 51 76.075 9.282 -14.594 1.00 0.00 C ATOM 905 CG PRO A 51 77.136 10.314 -14.419 1.00 0.00 C ATOM 906 CD PRO A 51 77.637 10.174 -12.998 1.00 0.00 C ATOM 0 HA PRO A 51 75.661 7.595 -13.234 1.00 0.00 H new ATOM 0 HB2 PRO A 51 75.996 8.970 -15.635 1.00 0.00 H new ATOM 0 HB3 PRO A 51 75.098 9.668 -14.302 1.00 0.00 H new ATOM 0 HG2 PRO A 51 77.946 10.164 -15.133 1.00 0.00 H new ATOM 0 HG3 PRO A 51 76.738 11.314 -14.594 1.00 0.00 H new ATOM 0 HD2 PRO A 51 78.695 10.423 -12.919 1.00 0.00 H new ATOM 0 HD3 PRO A 51 77.102 10.836 -12.317 1.00 0.00 H new ATOM 914 N GLU A 52 78.522 7.241 -14.705 1.00 0.00 N ATOM 915 CA GLU A 52 79.308 6.298 -15.490 1.00 0.00 C ATOM 916 C GLU A 52 79.090 4.872 -15.000 1.00 0.00 C ATOM 917 O GLU A 52 78.763 3.984 -15.789 1.00 0.00 O ATOM 918 CB GLU A 52 80.799 6.642 -15.369 1.00 0.00 C ATOM 919 CG GLU A 52 81.602 5.826 -16.387 1.00 0.00 C ATOM 920 CD GLU A 52 81.254 6.276 -17.803 1.00 0.00 C ATOM 921 OE1 GLU A 52 80.706 7.359 -17.940 1.00 0.00 O ATOM 922 OE2 GLU A 52 81.535 5.532 -18.726 1.00 0.00 O ATOM 0 H GLU A 52 79.046 8.037 -14.342 1.00 0.00 H new ATOM 0 HA GLU A 52 78.988 6.370 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 52 80.951 7.707 -15.541 1.00 0.00 H new ATOM 0 HB3 GLU A 52 81.150 6.429 -14.359 1.00 0.00 H new ATOM 0 HG2 GLU A 52 82.670 5.953 -16.208 1.00 0.00 H new ATOM 0 HG3 GLU A 52 81.383 4.765 -16.269 1.00 0.00 H new ATOM 929 N THR A 53 79.264 4.660 -13.700 1.00 0.00 N ATOM 930 CA THR A 53 79.083 3.333 -13.121 1.00 0.00 C ATOM 931 C THR A 53 78.107 3.370 -11.952 1.00 0.00 C ATOM 932 O THR A 53 77.354 2.423 -11.736 1.00 0.00 O ATOM 933 CB THR A 53 80.437 2.805 -12.643 1.00 0.00 C ATOM 934 OG1 THR A 53 81.046 3.783 -11.820 1.00 0.00 O ATOM 935 CG2 THR A 53 81.339 2.509 -13.844 1.00 0.00 C ATOM 0 H THR A 53 79.528 5.384 -13.031 1.00 0.00 H new ATOM 0 HA THR A 53 78.671 2.674 -13.885 1.00 0.00 H new ATOM 0 HB THR A 53 80.290 1.884 -12.079 1.00 0.00 H new ATOM 0 HG1 THR A 53 81.036 3.479 -10.888 1.00 0.00 H new ATOM 0 HG21 THR A 53 82.300 2.134 -13.493 1.00 0.00 H new ATOM 0 HG22 THR A 53 80.866 1.759 -14.478 1.00 0.00 H new ATOM 0 HG23 THR A 53 81.494 3.423 -14.417 1.00 0.00 H new ATOM 943 N GLY A 54 78.122 4.473 -11.215 1.00 0.00 N ATOM 944 CA GLY A 54 77.226 4.619 -10.071 1.00 0.00 C ATOM 945 C GLY A 54 77.949 4.343 -8.764 1.00 0.00 C ATOM 946 O GLY A 54 77.324 4.036 -7.751 1.00 0.00 O ATOM 0 H GLY A 54 78.735 5.271 -11.384 1.00 0.00 H new ATOM 0 HA2 GLY A 54 76.815 5.628 -10.055 1.00 0.00 H new ATOM 0 HA3 GLY A 54 76.385 3.934 -10.175 1.00 0.00 H new ATOM 950 N TYR A 55 79.273 4.447 -8.793 1.00 0.00 N ATOM 951 CA TYR A 55 80.076 4.213 -7.599 1.00 0.00 C ATOM 952 C TYR A 55 80.077 5.445 -6.705 1.00 0.00 C ATOM 953 O TYR A 55 79.820 6.553 -7.168 1.00 0.00 O ATOM 954 CB TYR A 55 81.514 3.860 -7.986 1.00 0.00 C ATOM 955 CG TYR A 55 81.540 2.517 -8.672 1.00 0.00 C ATOM 956 CD1 TYR A 55 80.944 1.401 -8.066 1.00 0.00 C ATOM 957 CD2 TYR A 55 82.160 2.382 -9.916 1.00 0.00 C ATOM 958 CE1 TYR A 55 80.969 0.165 -8.704 1.00 0.00 C ATOM 959 CE2 TYR A 55 82.186 1.136 -10.556 1.00 0.00 C ATOM 960 CZ TYR A 55 81.586 0.027 -9.950 1.00 0.00 C ATOM 961 OH TYR A 55 81.609 -1.200 -10.578 1.00 0.00 O ATOM 0 H TYR A 55 79.810 4.690 -9.625 1.00 0.00 H new ATOM 0 HA TYR A 55 79.637 3.379 -7.052 1.00 0.00 H new ATOM 0 HB2 TYR A 55 81.921 4.625 -8.647 1.00 0.00 H new ATOM 0 HB3 TYR A 55 82.145 3.838 -7.098 1.00 0.00 H new ATOM 0 HD1 TYR A 55 80.465 1.501 -7.103 1.00 0.00 H new ATOM 0 HD2 TYR A 55 82.620 3.239 -10.385 1.00 0.00 H new ATOM 0 HE1 TYR A 55 80.509 -0.692 -8.234 1.00 0.00 H new ATOM 0 HE2 TYR A 55 82.669 1.032 -11.516 1.00 0.00 H new ATOM 0 HH TYR A 55 82.484 -1.337 -10.997 1.00 0.00 H new ATOM 971 N VAL A 56 80.357 5.244 -5.421 1.00 0.00 N ATOM 972 CA VAL A 56 80.367 6.350 -4.472 1.00 0.00 C ATOM 973 C VAL A 56 81.522 7.303 -4.771 1.00 0.00 C ATOM 974 O VAL A 56 82.672 6.883 -4.890 1.00 0.00 O ATOM 975 CB VAL A 56 80.512 5.811 -3.046 1.00 0.00 C ATOM 976 CG1 VAL A 56 80.400 6.963 -2.047 1.00 0.00 C ATOM 977 CG2 VAL A 56 79.411 4.787 -2.773 1.00 0.00 C ATOM 0 H VAL A 56 80.578 4.334 -5.017 1.00 0.00 H new ATOM 0 HA VAL A 56 79.426 6.892 -4.566 1.00 0.00 H new ATOM 0 HB VAL A 56 81.486 5.334 -2.937 1.00 0.00 H new ATOM 0 HG11 VAL A 56 80.504 6.577 -1.033 1.00 0.00 H new ATOM 0 HG12 VAL A 56 81.188 7.690 -2.240 1.00 0.00 H new ATOM 0 HG13 VAL A 56 79.428 7.444 -2.154 1.00 0.00 H new ATOM 0 HG21 VAL A 56 79.514 4.403 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 56 78.436 5.262 -2.884 1.00 0.00 H new ATOM 0 HG23 VAL A 56 79.496 3.964 -3.482 1.00 0.00 H new ATOM 987 N LYS A 57 81.202 8.588 -4.893 1.00 0.00 N ATOM 988 CA LYS A 57 82.221 9.593 -5.172 1.00 0.00 C ATOM 989 C LYS A 57 83.093 9.827 -3.942 1.00 0.00 C ATOM 990 O LYS A 57 84.317 9.907 -4.045 1.00 0.00 O ATOM 991 CB LYS A 57 81.556 10.907 -5.588 1.00 0.00 C ATOM 992 CG LYS A 57 82.629 11.977 -5.808 1.00 0.00 C ATOM 993 CD LYS A 57 81.985 13.231 -6.401 1.00 0.00 C ATOM 994 CE LYS A 57 82.989 14.386 -6.365 1.00 0.00 C ATOM 995 NZ LYS A 57 83.139 14.866 -4.961 1.00 0.00 N ATOM 0 H LYS A 57 80.254 8.955 -4.804 1.00 0.00 H new ATOM 0 HA LYS A 57 82.851 9.231 -5.985 1.00 0.00 H new ATOM 0 HB2 LYS A 57 80.980 10.762 -6.502 1.00 0.00 H new ATOM 0 HB3 LYS A 57 80.856 11.232 -4.818 1.00 0.00 H new ATOM 0 HG2 LYS A 57 83.117 12.218 -4.863 1.00 0.00 H new ATOM 0 HG3 LYS A 57 83.401 11.600 -6.478 1.00 0.00 H new ATOM 0 HD2 LYS A 57 81.670 13.041 -7.427 1.00 0.00 H new ATOM 0 HD3 LYS A 57 81.090 13.495 -5.837 1.00 0.00 H new ATOM 0 HE2 LYS A 57 83.953 14.057 -6.754 1.00 0.00 H new ATOM 0 HE3 LYS A 57 82.648 15.200 -7.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 83.532 15.829 -4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 82.209 14.873 -4.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 83.781 14.232 -4.444 1.00 0.00 H new ATOM 1009 N LYS A 58 82.453 9.938 -2.782 1.00 0.00 N ATOM 1010 CA LYS A 58 83.181 10.161 -1.537 1.00 0.00 C ATOM 1011 C LYS A 58 82.361 9.685 -0.345 1.00 0.00 C ATOM 1012 O LYS A 58 81.131 9.663 -0.397 1.00 0.00 O ATOM 1013 CB LYS A 58 83.503 11.649 -1.386 1.00 0.00 C ATOM 1014 CG LYS A 58 82.201 12.448 -1.309 1.00 0.00 C ATOM 1015 CD LYS A 58 82.519 13.944 -1.344 1.00 0.00 C ATOM 1016 CE LYS A 58 81.218 14.743 -1.251 1.00 0.00 C ATOM 1017 NZ LYS A 58 80.573 14.489 0.067 1.00 0.00 N ATOM 0 H LYS A 58 81.440 9.878 -2.678 1.00 0.00 H new ATOM 0 HA LYS A 58 84.110 9.591 -1.569 1.00 0.00 H new ATOM 0 HB2 LYS A 58 84.097 11.814 -0.487 1.00 0.00 H new ATOM 0 HB3 LYS A 58 84.102 11.990 -2.231 1.00 0.00 H new ATOM 0 HG2 LYS A 58 81.550 12.184 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 58 81.663 12.201 -0.394 1.00 0.00 H new ATOM 0 HD2 LYS A 58 83.179 14.206 -0.517 1.00 0.00 H new ATOM 0 HD3 LYS A 58 83.047 14.193 -2.265 1.00 0.00 H new ATOM 0 HE2 LYS A 58 81.423 15.807 -1.369 1.00 0.00 H new ATOM 0 HE3 LYS A 58 80.544 14.457 -2.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 80.312 15.395 0.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 79.719 13.912 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 81.237 13.983 0.687 1.00 0.00 H new ATOM 1031 N LEU A 59 83.049 9.312 0.728 1.00 0.00 N ATOM 1032 CA LEU A 59 82.373 8.840 1.925 1.00 0.00 C ATOM 1033 C LEU A 59 83.146 9.234 3.179 1.00 0.00 C ATOM 1034 O LEU A 59 84.356 9.022 3.265 1.00 0.00 O ATOM 1035 CB LEU A 59 82.231 7.312 1.875 1.00 0.00 C ATOM 1036 CG LEU A 59 80.873 6.897 2.444 1.00 0.00 C ATOM 1037 CD1 LEU A 59 80.720 7.462 3.857 1.00 0.00 C ATOM 1038 CD2 LEU A 59 79.755 7.443 1.550 1.00 0.00 C ATOM 0 H LEU A 59 84.067 9.328 0.792 1.00 0.00 H new ATOM 0 HA LEU A 59 81.387 9.302 1.963 1.00 0.00 H new ATOM 0 HB2 LEU A 59 82.327 6.963 0.847 1.00 0.00 H new ATOM 0 HB3 LEU A 59 83.033 6.845 2.446 1.00 0.00 H new ATOM 0 HG LEU A 59 80.810 5.809 2.478 1.00 0.00 H new ATOM 0 HD11 LEU A 59 79.753 7.167 4.264 1.00 0.00 H new ATOM 0 HD12 LEU A 59 81.515 7.072 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 59 80.783 8.550 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 59 78.788 7.147 1.956 1.00 0.00 H new ATOM 0 HD22 LEU A 59 79.816 8.531 1.514 1.00 0.00 H new ATOM 0 HD23 LEU A 59 79.865 7.040 0.543 1.00 0.00 H new ATOM 1050 N GLN A 60 82.438 9.805 4.150 1.00 0.00 N ATOM 1051 CA GLN A 60 83.069 10.220 5.402 1.00 0.00 C ATOM 1052 C GLN A 60 83.277 9.008 6.314 1.00 0.00 C ATOM 1053 O GLN A 60 82.367 8.217 6.527 1.00 0.00 O ATOM 1054 CB GLN A 60 82.195 11.247 6.112 1.00 0.00 C ATOM 1055 CG GLN A 60 83.004 11.913 7.224 1.00 0.00 C ATOM 1056 CD GLN A 60 82.079 12.310 8.373 1.00 0.00 C ATOM 1057 OE1 GLN A 60 81.141 11.581 8.698 1.00 0.00 O ATOM 1058 NE2 GLN A 60 82.296 13.420 9.023 1.00 0.00 N ATOM 0 H GLN A 60 81.436 9.990 4.097 1.00 0.00 H new ATOM 0 HA GLN A 60 84.036 10.667 5.173 1.00 0.00 H new ATOM 0 HB2 GLN A 60 81.844 11.996 5.402 1.00 0.00 H new ATOM 0 HB3 GLN A 60 81.311 10.764 6.528 1.00 0.00 H new ATOM 0 HG2 GLN A 60 83.774 11.231 7.584 1.00 0.00 H new ATOM 0 HG3 GLN A 60 83.515 12.794 6.836 1.00 0.00 H new ATOM 0 HE21 GLN A 60 83.073 14.025 8.755 1.00 0.00 H new ATOM 0 HE22 GLN A 60 81.689 13.683 9.799 1.00 0.00 H new ATOM 1067 N ARG A 61 84.492 8.866 6.821 1.00 0.00 N ATOM 1068 CA ARG A 61 84.828 7.734 7.685 1.00 0.00 C ATOM 1069 C ARG A 61 84.316 7.958 9.105 1.00 0.00 C ATOM 1070 O ARG A 61 83.821 9.032 9.420 1.00 0.00 O ATOM 1071 CB ARG A 61 86.341 7.508 7.692 1.00 0.00 C ATOM 1072 CG ARG A 61 86.861 7.454 6.250 1.00 0.00 C ATOM 1073 CD ARG A 61 88.211 6.735 6.224 1.00 0.00 C ATOM 1074 NE ARG A 61 88.068 5.379 6.742 1.00 0.00 N ATOM 1075 CZ ARG A 61 89.130 4.654 7.076 1.00 0.00 C ATOM 1076 NH1 ARG A 61 90.329 5.151 6.934 1.00 0.00 N ATOM 1077 NH2 ARG A 61 88.977 3.447 7.547 1.00 0.00 N ATOM 0 H ARG A 61 85.261 9.514 6.653 1.00 0.00 H new ATOM 0 HA ARG A 61 84.340 6.844 7.288 1.00 0.00 H new ATOM 0 HB2 ARG A 61 86.836 8.311 8.238 1.00 0.00 H new ATOM 0 HB3 ARG A 61 86.577 6.578 8.209 1.00 0.00 H new ATOM 0 HG2 ARG A 61 86.146 6.933 5.613 1.00 0.00 H new ATOM 0 HG3 ARG A 61 86.966 8.463 5.851 1.00 0.00 H new ATOM 0 HD2 ARG A 61 88.596 6.704 5.205 1.00 0.00 H new ATOM 0 HD3 ARG A 61 88.937 7.286 6.822 1.00 0.00 H new ATOM 0 HE ARG A 61 87.135 4.980 6.850 1.00 0.00 H new ATOM 0 HH11 ARG A 61 90.450 6.095 6.567 1.00 0.00 H new ATOM 0 HH12 ARG A 61 91.145 4.595 7.190 1.00 0.00 H new ATOM 0 HH21 ARG A 61 88.041 3.058 7.659 1.00 0.00 H new ATOM 0 HH22 ARG A 61 89.794 2.892 7.803 1.00 0.00 H new ATOM 1091 N ARG A 62 84.473 6.944 9.943 1.00 0.00 N ATOM 1092 CA ARG A 62 84.039 7.042 11.333 1.00 0.00 C ATOM 1093 C ARG A 62 84.896 8.054 12.091 1.00 0.00 C ATOM 1094 O ARG A 62 84.525 8.504 13.175 1.00 0.00 O ATOM 1095 CB ARG A 62 84.119 5.680 12.008 1.00 0.00 C ATOM 1096 CG ARG A 62 83.482 5.764 13.396 1.00 0.00 C ATOM 1097 CD ARG A 62 82.650 4.509 13.647 1.00 0.00 C ATOM 1098 NE ARG A 62 81.550 4.436 12.692 1.00 0.00 N ATOM 1099 CZ ARG A 62 80.820 3.333 12.566 1.00 0.00 C ATOM 1100 NH1 ARG A 62 81.079 2.291 13.308 1.00 0.00 N ATOM 1101 NH2 ARG A 62 79.843 3.292 11.702 1.00 0.00 N ATOM 0 H ARG A 62 84.894 6.050 9.690 1.00 0.00 H new ATOM 0 HA ARG A 62 83.004 7.382 11.347 1.00 0.00 H new ATOM 0 HB2 ARG A 62 83.605 4.932 11.404 1.00 0.00 H new ATOM 0 HB3 ARG A 62 85.159 5.363 12.091 1.00 0.00 H new ATOM 0 HG2 ARG A 62 84.255 5.860 14.158 1.00 0.00 H new ATOM 0 HG3 ARG A 62 82.853 6.651 13.467 1.00 0.00 H new ATOM 0 HD2 ARG A 62 83.279 3.623 13.558 1.00 0.00 H new ATOM 0 HD3 ARG A 62 82.258 4.521 14.664 1.00 0.00 H new ATOM 0 HE ARG A 62 81.337 5.246 12.110 1.00 0.00 H new ATOM 0 HH11 ARG A 62 81.842 2.324 13.984 1.00 0.00 H new ATOM 0 HH12 ARG A 62 80.519 1.444 13.211 1.00 0.00 H new ATOM 0 HH21 ARG A 62 79.640 4.107 11.123 1.00 0.00 H new ATOM 0 HH22 ARG A 62 79.283 2.445 11.605 1.00 0.00 H new ATOM 1115 N ASP A 63 86.050 8.395 11.522 1.00 0.00 N ATOM 1116 CA ASP A 63 86.962 9.332 12.160 1.00 0.00 C ATOM 1117 C ASP A 63 86.607 10.756 11.790 1.00 0.00 C ATOM 1118 O ASP A 63 87.290 11.701 12.187 1.00 0.00 O ATOM 1119 CB ASP A 63 88.397 9.036 11.744 1.00 0.00 C ATOM 1120 CG ASP A 63 88.855 7.711 12.345 1.00 0.00 C ATOM 1121 OD1 ASP A 63 88.197 7.239 13.258 1.00 0.00 O ATOM 1122 OD2 ASP A 63 89.853 7.184 11.881 1.00 0.00 O ATOM 0 H ASP A 63 86.372 8.036 10.623 1.00 0.00 H new ATOM 0 HA ASP A 63 86.871 9.216 13.240 1.00 0.00 H new ATOM 0 HB2 ASP A 63 88.467 8.995 10.657 1.00 0.00 H new ATOM 0 HB3 ASP A 63 89.053 9.841 12.076 1.00 0.00 H new ATOM 1127 N ASN A 64 85.527 10.924 11.021 1.00 0.00 N ATOM 1128 CA ASN A 64 85.094 12.246 10.609 1.00 0.00 C ATOM 1129 C ASN A 64 86.018 12.814 9.540 1.00 0.00 C ATOM 1130 O ASN A 64 86.299 14.013 9.525 1.00 0.00 O ATOM 1131 CB ASN A 64 85.053 13.190 11.808 1.00 0.00 C ATOM 1132 CG ASN A 64 84.552 12.443 13.040 1.00 0.00 C ATOM 1133 OD1 ASN A 64 83.767 11.502 12.922 1.00 0.00 O ATOM 1134 ND2 ASN A 64 84.958 12.812 14.224 1.00 0.00 N ATOM 0 H ASN A 64 84.945 10.160 10.677 1.00 0.00 H new ATOM 0 HA ASN A 64 84.092 12.155 10.190 1.00 0.00 H new ATOM 0 HB2 ASN A 64 86.047 13.595 11.997 1.00 0.00 H new ATOM 0 HB3 ASN A 64 84.399 14.036 11.594 1.00 0.00 H new ATOM 0 HD21 ASN A 64 84.625 12.321 15.053 1.00 0.00 H new ATOM 0 HD22 ASN A 64 85.608 13.592 14.320 1.00 0.00 H new ATOM 1141 N THR A 65 86.483 11.946 8.647 1.00 0.00 N ATOM 1142 CA THR A 65 87.374 12.374 7.576 1.00 0.00 C ATOM 1143 C THR A 65 86.799 11.995 6.216 1.00 0.00 C ATOM 1144 O THR A 65 86.357 10.864 6.010 1.00 0.00 O ATOM 1145 CB THR A 65 88.749 11.722 7.750 1.00 0.00 C ATOM 1146 OG1 THR A 65 88.596 10.310 7.824 1.00 0.00 O ATOM 1147 CG2 THR A 65 89.403 12.236 9.033 1.00 0.00 C ATOM 0 H THR A 65 86.260 10.951 8.643 1.00 0.00 H new ATOM 0 HA THR A 65 87.476 13.458 7.625 1.00 0.00 H new ATOM 0 HB THR A 65 89.381 11.975 6.899 1.00 0.00 H new ATOM 0 HG1 THR A 65 87.763 10.047 7.379 1.00 0.00 H new ATOM 0 HG21 THR A 65 90.381 11.771 9.154 1.00 0.00 H new ATOM 0 HG22 THR A 65 89.521 13.318 8.973 1.00 0.00 H new ATOM 0 HG23 THR A 65 88.774 11.986 9.887 1.00 0.00 H new ATOM 1155 N PHE A 66 86.812 12.946 5.288 1.00 0.00 N ATOM 1156 CA PHE A 66 86.292 12.697 3.948 1.00 0.00 C ATOM 1157 C PHE A 66 87.297 11.902 3.125 1.00 0.00 C ATOM 1158 O PHE A 66 88.444 12.318 2.958 1.00 0.00 O ATOM 1159 CB PHE A 66 85.995 14.025 3.247 1.00 0.00 C ATOM 1160 CG PHE A 66 84.753 14.645 3.839 1.00 0.00 C ATOM 1161 CD1 PHE A 66 83.490 14.218 3.411 1.00 0.00 C ATOM 1162 CD2 PHE A 66 84.862 15.642 4.814 1.00 0.00 C ATOM 1163 CE1 PHE A 66 82.335 14.789 3.958 1.00 0.00 C ATOM 1164 CE2 PHE A 66 83.707 16.214 5.361 1.00 0.00 C ATOM 1165 CZ PHE A 66 82.444 15.787 4.935 1.00 0.00 C ATOM 0 H PHE A 66 87.173 13.888 5.437 1.00 0.00 H new ATOM 0 HA PHE A 66 85.372 12.119 4.037 1.00 0.00 H new ATOM 0 HB2 PHE A 66 86.841 14.704 3.359 1.00 0.00 H new ATOM 0 HB3 PHE A 66 85.857 13.861 2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 66 83.407 13.448 2.659 1.00 0.00 H new ATOM 0 HD2 PHE A 66 85.836 15.970 5.145 1.00 0.00 H new ATOM 0 HE1 PHE A 66 81.361 14.460 3.627 1.00 0.00 H new ATOM 0 HE2 PHE A 66 83.791 16.985 6.112 1.00 0.00 H new ATOM 0 HZ PHE A 66 81.554 16.227 5.359 1.00 0.00 H new ATOM 1175 N PHE A 67 86.861 10.754 2.614 1.00 0.00 N ATOM 1176 CA PHE A 67 87.733 9.905 1.811 1.00 0.00 C ATOM 1177 C PHE A 67 87.222 9.823 0.375 1.00 0.00 C ATOM 1178 O PHE A 67 86.091 9.399 0.130 1.00 0.00 O ATOM 1179 CB PHE A 67 87.791 8.499 2.411 1.00 0.00 C ATOM 1180 CG PHE A 67 88.844 7.688 1.695 1.00 0.00 C ATOM 1181 CD1 PHE A 67 88.520 6.999 0.521 1.00 0.00 C ATOM 1182 CD2 PHE A 67 90.148 7.629 2.203 1.00 0.00 C ATOM 1183 CE1 PHE A 67 89.497 6.250 -0.144 1.00 0.00 C ATOM 1184 CE2 PHE A 67 91.125 6.878 1.539 1.00 0.00 C ATOM 1185 CZ PHE A 67 90.800 6.189 0.365 1.00 0.00 C ATOM 0 H PHE A 67 85.916 10.393 2.741 1.00 0.00 H new ATOM 0 HA PHE A 67 88.732 10.341 1.809 1.00 0.00 H new ATOM 0 HB2 PHE A 67 88.022 8.556 3.475 1.00 0.00 H new ATOM 0 HB3 PHE A 67 86.819 8.013 2.321 1.00 0.00 H new ATOM 0 HD1 PHE A 67 87.515 7.045 0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 67 90.400 8.163 3.107 1.00 0.00 H new ATOM 0 HE1 PHE A 67 89.246 5.719 -1.050 1.00 0.00 H new ATOM 0 HE2 PHE A 67 92.130 6.830 1.933 1.00 0.00 H new ATOM 0 HZ PHE A 67 91.554 5.610 -0.148 1.00 0.00 H new ATOM 1195 N TYR A 68 88.061 10.236 -0.571 1.00 0.00 N ATOM 1196 CA TYR A 68 87.682 10.208 -1.979 1.00 0.00 C ATOM 1197 C TYR A 68 87.881 8.809 -2.555 1.00 0.00 C ATOM 1198 O TYR A 68 88.903 8.170 -2.316 1.00 0.00 O ATOM 1199 CB TYR A 68 88.525 11.212 -2.765 1.00 0.00 C ATOM 1200 CG TYR A 68 88.170 12.615 -2.337 1.00 0.00 C ATOM 1201 CD1 TYR A 68 87.106 13.287 -2.952 1.00 0.00 C ATOM 1202 CD2 TYR A 68 88.902 13.245 -1.323 1.00 0.00 C ATOM 1203 CE1 TYR A 68 86.776 14.587 -2.553 1.00 0.00 C ATOM 1204 CE2 TYR A 68 88.572 14.546 -0.925 1.00 0.00 C ATOM 1205 CZ TYR A 68 87.509 15.217 -1.541 1.00 0.00 C ATOM 1206 OH TYR A 68 87.183 16.499 -1.148 1.00 0.00 O ATOM 0 H TYR A 68 89.000 10.591 -0.390 1.00 0.00 H new ATOM 0 HA TYR A 68 86.629 10.477 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 68 89.585 11.026 -2.593 1.00 0.00 H new ATOM 0 HB3 TYR A 68 88.350 11.092 -3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 68 86.540 12.802 -3.734 1.00 0.00 H new ATOM 0 HD2 TYR A 68 89.722 12.727 -0.848 1.00 0.00 H new ATOM 0 HE1 TYR A 68 85.955 15.105 -3.027 1.00 0.00 H new ATOM 0 HE2 TYR A 68 89.137 15.032 -0.143 1.00 0.00 H new ATOM 0 HH TYR A 68 87.790 16.787 -0.434 1.00 0.00 H new ATOM 1216 N TYR A 69 86.895 8.346 -3.314 1.00 0.00 N ATOM 1217 CA TYR A 69 86.961 7.020 -3.924 1.00 0.00 C ATOM 1218 C TYR A 69 87.110 7.128 -5.434 1.00 0.00 C ATOM 1219 O TYR A 69 86.672 8.102 -6.042 1.00 0.00 O ATOM 1220 CB TYR A 69 85.704 6.221 -3.581 1.00 0.00 C ATOM 1221 CG TYR A 69 85.796 5.713 -2.160 1.00 0.00 C ATOM 1222 CD1 TYR A 69 86.572 4.582 -1.874 1.00 0.00 C ATOM 1223 CD2 TYR A 69 85.109 6.368 -1.133 1.00 0.00 C ATOM 1224 CE1 TYR A 69 86.660 4.106 -0.561 1.00 0.00 C ATOM 1225 CE2 TYR A 69 85.197 5.890 0.180 1.00 0.00 C ATOM 1226 CZ TYR A 69 85.971 4.760 0.467 1.00 0.00 C ATOM 1227 OH TYR A 69 86.057 4.292 1.761 1.00 0.00 O ATOM 0 H TYR A 69 86.042 8.866 -3.522 1.00 0.00 H new ATOM 0 HA TYR A 69 87.834 6.503 -3.526 1.00 0.00 H new ATOM 0 HB2 TYR A 69 84.820 6.848 -3.697 1.00 0.00 H new ATOM 0 HB3 TYR A 69 85.594 5.384 -4.270 1.00 0.00 H new ATOM 0 HD1 TYR A 69 87.103 4.077 -2.668 1.00 0.00 H new ATOM 0 HD2 TYR A 69 84.512 7.241 -1.352 1.00 0.00 H new ATOM 0 HE1 TYR A 69 87.259 3.235 -0.341 1.00 0.00 H new ATOM 0 HE2 TYR A 69 84.666 6.395 0.974 1.00 0.00 H new ATOM 0 HH TYR A 69 85.348 3.634 1.919 1.00 0.00 H new ATOM 1237 N ASN A 70 87.729 6.117 -6.035 1.00 0.00 N ATOM 1238 CA ASN A 70 87.927 6.104 -7.479 1.00 0.00 C ATOM 1239 C ASN A 70 86.811 5.329 -8.172 1.00 0.00 C ATOM 1240 O ASN A 70 86.728 4.107 -8.056 1.00 0.00 O ATOM 1241 CB ASN A 70 89.278 5.468 -7.814 1.00 0.00 C ATOM 1242 CG ASN A 70 89.400 5.258 -9.319 1.00 0.00 C ATOM 1243 OD1 ASN A 70 89.271 4.053 -9.810 1.00 0.00 O flip ATOM 1244 ND2 ASN A 70 89.603 6.213 -10.069 1.00 0.00 N flip ATOM 0 H ASN A 70 88.100 5.301 -5.548 1.00 0.00 H new ATOM 0 HA ASN A 70 87.910 7.134 -7.836 1.00 0.00 H new ATOM 0 HB2 ASN A 70 90.087 6.108 -7.462 1.00 0.00 H new ATOM 0 HB3 ASN A 70 89.378 4.514 -7.297 1.00 0.00 H new ATOM 0 HD21 ASN A 70 89.703 7.152 -9.683 1.00 0.00 H new ATOM 0 HD22 ASN A 70 89.671 6.065 -11.076 1.00 0.00 H new ATOM 1251 N LYS A 71 85.960 6.049 -8.895 1.00 0.00 N ATOM 1252 CA LYS A 71 84.855 5.415 -9.607 1.00 0.00 C ATOM 1253 C LYS A 71 85.380 4.404 -10.625 1.00 0.00 C ATOM 1254 O LYS A 71 84.700 3.451 -10.980 1.00 0.00 O ATOM 1255 CB LYS A 71 84.017 6.477 -10.321 1.00 0.00 C ATOM 1256 CG LYS A 71 84.927 7.345 -11.192 1.00 0.00 C ATOM 1257 CD LYS A 71 84.264 7.587 -12.546 1.00 0.00 C ATOM 1258 CE LYS A 71 85.086 8.599 -13.345 1.00 0.00 C ATOM 1259 NZ LYS A 71 86.492 8.119 -13.458 1.00 0.00 N ATOM 0 H LYS A 71 86.012 7.062 -9.004 1.00 0.00 H new ATOM 0 HA LYS A 71 84.233 4.890 -8.882 1.00 0.00 H new ATOM 0 HB2 LYS A 71 83.254 6.000 -10.936 1.00 0.00 H new ATOM 0 HB3 LYS A 71 83.496 7.096 -9.591 1.00 0.00 H new ATOM 0 HG2 LYS A 71 85.122 8.296 -10.696 1.00 0.00 H new ATOM 0 HG3 LYS A 71 85.890 6.854 -11.330 1.00 0.00 H new ATOM 0 HD2 LYS A 71 84.187 6.650 -13.097 1.00 0.00 H new ATOM 0 HD3 LYS A 71 83.249 7.958 -12.404 1.00 0.00 H new ATOM 0 HE2 LYS A 71 84.655 8.731 -14.337 1.00 0.00 H new ATOM 0 HE3 LYS A 71 85.061 9.572 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 87.144 8.901 -13.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 86.650 7.345 -12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 86.665 7.776 -14.424 1.00 0.00 H new ATOM 1273 N GLU A 72 86.600 4.621 -11.092 1.00 0.00 N ATOM 1274 CA GLU A 72 87.201 3.722 -12.071 1.00 0.00 C ATOM 1275 C GLU A 72 87.615 2.419 -11.412 1.00 0.00 C ATOM 1276 O GLU A 72 88.797 2.119 -11.357 1.00 0.00 O ATOM 1277 CB GLU A 72 88.428 4.390 -12.704 1.00 0.00 C ATOM 1278 CG GLU A 72 88.006 5.153 -13.958 1.00 0.00 C ATOM 1279 CD GLU A 72 87.707 4.174 -15.087 1.00 0.00 C ATOM 1280 OE1 GLU A 72 88.650 3.625 -15.633 1.00 0.00 O ATOM 1281 OE2 GLU A 72 86.540 3.988 -15.392 1.00 0.00 O ATOM 0 H GLU A 72 87.191 5.404 -10.813 1.00 0.00 H new ATOM 0 HA GLU A 72 86.463 3.506 -12.844 1.00 0.00 H new ATOM 0 HB2 GLU A 72 88.892 5.071 -11.991 1.00 0.00 H new ATOM 0 HB3 GLU A 72 89.174 3.637 -12.958 1.00 0.00 H new ATOM 0 HG2 GLU A 72 87.124 5.757 -13.746 1.00 0.00 H new ATOM 0 HG3 GLU A 72 88.797 5.839 -14.260 1.00 0.00 H new ATOM 1365 N LYS A 78 91.931 -9.475 -5.255 1.00 0.00 N ATOM 1366 CA LYS A 78 92.631 -9.598 -3.980 1.00 0.00 C ATOM 1367 C LYS A 78 91.801 -8.978 -2.855 1.00 0.00 C ATOM 1368 O LYS A 78 91.837 -9.423 -1.696 1.00 0.00 O ATOM 1369 CB LYS A 78 93.979 -8.878 -4.053 1.00 0.00 C ATOM 1370 CG LYS A 78 94.890 -9.610 -5.036 1.00 0.00 C ATOM 1371 CD LYS A 78 96.234 -8.886 -5.127 1.00 0.00 C ATOM 1372 CE LYS A 78 97.149 -9.626 -6.103 1.00 0.00 C ATOM 1373 NZ LYS A 78 98.451 -8.909 -6.205 1.00 0.00 N ATOM 0 HA LYS A 78 92.787 -10.657 -3.775 1.00 0.00 H new ATOM 0 HB2 LYS A 78 93.836 -7.846 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 78 94.441 -8.846 -3.066 1.00 0.00 H new ATOM 0 HG2 LYS A 78 95.041 -10.639 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 78 94.421 -9.653 -6.019 1.00 0.00 H new ATOM 0 HD2 LYS A 78 96.084 -7.859 -5.461 1.00 0.00 H new ATOM 0 HD3 LYS A 78 96.699 -8.836 -4.143 1.00 0.00 H new ATOM 0 HE2 LYS A 78 97.311 -10.649 -5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 78 96.678 -9.688 -7.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 99.073 -9.412 -6.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 98.288 -7.941 -6.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 98.901 -8.872 -5.268 1.00 0.00 H new ATOM 1387 N GLU A 79 90.994 -7.964 -3.199 1.00 0.00 N ATOM 1388 CA GLU A 79 90.153 -7.306 -2.213 1.00 0.00 C ATOM 1389 C GLU A 79 88.868 -8.097 -1.994 1.00 0.00 C ATOM 1390 O GLU A 79 88.322 -8.117 -0.901 1.00 0.00 O ATOM 1391 CB GLU A 79 89.813 -5.890 -2.684 1.00 0.00 C ATOM 1392 CG GLU A 79 90.219 -4.883 -1.606 1.00 0.00 C ATOM 1393 CD GLU A 79 91.739 -4.814 -1.504 1.00 0.00 C ATOM 1394 OE1 GLU A 79 92.371 -4.571 -2.519 1.00 0.00 O ATOM 1395 OE2 GLU A 79 92.249 -5.005 -0.412 1.00 0.00 O ATOM 0 H GLU A 79 90.912 -7.591 -4.145 1.00 0.00 H new ATOM 0 HA GLU A 79 90.697 -7.254 -1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 79 90.333 -5.671 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 79 88.745 -5.810 -2.888 1.00 0.00 H new ATOM 0 HG2 GLU A 79 89.817 -3.899 -1.846 1.00 0.00 H new ATOM 0 HG3 GLU A 79 89.795 -5.175 -0.645 1.00 0.00 H new ATOM 1402 N VAL A 80 88.391 -8.756 -3.042 1.00 0.00 N ATOM 1403 CA VAL A 80 87.173 -9.551 -2.937 1.00 0.00 C ATOM 1404 C VAL A 80 87.310 -10.552 -1.794 1.00 0.00 C ATOM 1405 O VAL A 80 86.411 -10.681 -0.960 1.00 0.00 O ATOM 1406 CB VAL A 80 86.937 -10.302 -4.250 1.00 0.00 C ATOM 1407 CG1 VAL A 80 85.813 -11.320 -4.064 1.00 0.00 C ATOM 1408 CG2 VAL A 80 86.539 -9.302 -5.340 1.00 0.00 C ATOM 0 H VAL A 80 88.823 -8.757 -3.966 1.00 0.00 H new ATOM 0 HA VAL A 80 86.328 -8.892 -2.739 1.00 0.00 H new ATOM 0 HB VAL A 80 87.851 -10.820 -4.541 1.00 0.00 H new ATOM 0 HG11 VAL A 80 85.647 -11.853 -5.000 1.00 0.00 H new ATOM 0 HG12 VAL A 80 86.091 -12.031 -3.286 1.00 0.00 H new ATOM 0 HG13 VAL A 80 84.898 -10.803 -3.774 1.00 0.00 H new ATOM 0 HG21 VAL A 80 86.370 -9.833 -6.277 1.00 0.00 H new ATOM 0 HG22 VAL A 80 85.625 -8.787 -5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 80 87.339 -8.574 -5.475 1.00 0.00 H new ATOM 1418 N HIS A 81 88.421 -11.281 -1.773 1.00 0.00 N ATOM 1419 CA HIS A 81 88.643 -12.277 -0.727 1.00 0.00 C ATOM 1420 C HIS A 81 88.841 -11.603 0.624 1.00 0.00 C ATOM 1421 O HIS A 81 88.325 -12.064 1.643 1.00 0.00 O ATOM 1422 CB HIS A 81 89.887 -13.106 -1.060 1.00 0.00 C ATOM 1423 CG HIS A 81 89.590 -14.009 -2.225 1.00 0.00 C ATOM 1424 ND1 HIS A 81 89.566 -13.545 -3.531 1.00 0.00 N ATOM 1425 CD2 HIS A 81 89.305 -15.351 -2.299 1.00 0.00 C ATOM 1426 CE1 HIS A 81 89.275 -14.589 -4.328 1.00 0.00 C ATOM 1427 NE2 HIS A 81 89.107 -15.714 -3.627 1.00 0.00 N ATOM 0 H HIS A 81 89.173 -11.204 -2.458 1.00 0.00 H new ATOM 0 HA HIS A 81 87.767 -12.923 -0.676 1.00 0.00 H new ATOM 0 HB2 HIS A 81 90.722 -12.448 -1.300 1.00 0.00 H new ATOM 0 HB3 HIS A 81 90.185 -13.697 -0.194 1.00 0.00 H new ATOM 0 HD2 HIS A 81 89.244 -16.022 -1.455 1.00 0.00 H new ATOM 0 HE1 HIS A 81 89.188 -14.526 -5.403 1.00 0.00 H new ATOM 0 HE2 HIS A 81 88.882 -16.641 -3.988 1.00 0.00 H new ATOM 1435 N LYS A 82 89.582 -10.496 0.624 1.00 0.00 N ATOM 1436 CA LYS A 82 89.828 -9.765 1.862 1.00 0.00 C ATOM 1437 C LYS A 82 88.589 -8.983 2.296 1.00 0.00 C ATOM 1438 O LYS A 82 88.438 -8.643 3.467 1.00 0.00 O ATOM 1439 CB LYS A 82 90.994 -8.792 1.659 1.00 0.00 C ATOM 1440 CG LYS A 82 92.271 -9.577 1.349 1.00 0.00 C ATOM 1441 CD LYS A 82 93.263 -9.417 2.500 1.00 0.00 C ATOM 1442 CE LYS A 82 93.749 -7.967 2.557 1.00 0.00 C ATOM 1443 NZ LYS A 82 93.567 -7.437 3.939 1.00 0.00 N ATOM 0 H LYS A 82 90.016 -10.092 -0.206 1.00 0.00 H new ATOM 0 HA LYS A 82 90.072 -10.487 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 82 90.770 -8.106 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 82 91.136 -8.187 2.554 1.00 0.00 H new ATOM 0 HG2 LYS A 82 92.035 -10.631 1.202 1.00 0.00 H new ATOM 0 HG3 LYS A 82 92.715 -9.217 0.421 1.00 0.00 H new ATOM 0 HD2 LYS A 82 92.789 -9.690 3.443 1.00 0.00 H new ATOM 0 HD3 LYS A 82 94.109 -10.090 2.361 1.00 0.00 H new ATOM 0 HE2 LYS A 82 94.799 -7.912 2.270 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.192 -7.357 1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 93.897 -6.452 3.979 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 92.560 -7.476 4.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 94.117 -8.014 4.607 1.00 0.00 H new ATOM 1457 N VAL A 83 87.718 -8.689 1.342 1.00 0.00 N ATOM 1458 CA VAL A 83 86.510 -7.930 1.623 1.00 0.00 C ATOM 1459 C VAL A 83 85.363 -8.845 2.034 1.00 0.00 C ATOM 1460 O VAL A 83 85.138 -9.892 1.427 1.00 0.00 O ATOM 1461 CB VAL A 83 86.102 -7.121 0.388 1.00 0.00 C ATOM 1462 CG1 VAL A 83 84.750 -6.449 0.638 1.00 0.00 C ATOM 1463 CG2 VAL A 83 87.155 -6.043 0.111 1.00 0.00 C ATOM 0 H VAL A 83 87.826 -8.965 0.366 1.00 0.00 H new ATOM 0 HA VAL A 83 86.724 -7.255 2.452 1.00 0.00 H new ATOM 0 HB VAL A 83 86.026 -7.789 -0.470 1.00 0.00 H new ATOM 0 HG11 VAL A 83 84.461 -5.874 -0.242 1.00 0.00 H new ATOM 0 HG12 VAL A 83 83.996 -7.211 0.837 1.00 0.00 H new ATOM 0 HG13 VAL A 83 84.828 -5.783 1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 83 86.864 -5.468 -0.768 1.00 0.00 H new ATOM 0 HG22 VAL A 83 87.230 -5.378 0.971 1.00 0.00 H new ATOM 0 HG23 VAL A 83 88.121 -6.515 -0.068 1.00 0.00 H new ATOM 1473 N LYS A 84 84.639 -8.439 3.071 1.00 0.00 N ATOM 1474 CA LYS A 84 83.512 -9.228 3.555 1.00 0.00 C ATOM 1475 C LYS A 84 82.196 -8.635 3.057 1.00 0.00 C ATOM 1476 O LYS A 84 82.158 -7.497 2.586 1.00 0.00 O ATOM 1477 CB LYS A 84 83.509 -9.266 5.079 1.00 0.00 C ATOM 1478 CG LYS A 84 84.821 -9.875 5.575 1.00 0.00 C ATOM 1479 CD LYS A 84 84.843 -9.876 7.104 1.00 0.00 C ATOM 1480 CE LYS A 84 85.311 -8.509 7.613 1.00 0.00 C ATOM 1481 NZ LYS A 84 86.708 -8.266 7.153 1.00 0.00 N ATOM 0 H LYS A 84 84.810 -7.577 3.589 1.00 0.00 H new ATOM 0 HA LYS A 84 83.614 -10.243 3.171 1.00 0.00 H new ATOM 0 HB2 LYS A 84 83.389 -8.259 5.479 1.00 0.00 H new ATOM 0 HB3 LYS A 84 82.664 -9.854 5.437 1.00 0.00 H new ATOM 0 HG2 LYS A 84 84.926 -10.893 5.200 1.00 0.00 H new ATOM 0 HG3 LYS A 84 85.666 -9.305 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 84 83.849 -10.099 7.492 1.00 0.00 H new ATOM 0 HD3 LYS A 84 85.509 -10.658 7.468 1.00 0.00 H new ATOM 0 HE2 LYS A 84 84.652 -7.724 7.242 1.00 0.00 H new ATOM 0 HE3 LYS A 84 85.263 -8.477 8.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 87.212 -7.694 7.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 87.197 -9.176 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 86.691 -7.758 6.246 1.00 0.00 H new ATOM 1495 N VAL A 85 81.122 -9.415 3.156 1.00 0.00 N ATOM 1496 CA VAL A 85 79.814 -8.952 2.708 1.00 0.00 C ATOM 1497 C VAL A 85 78.793 -9.085 3.839 1.00 0.00 C ATOM 1498 O VAL A 85 78.643 -10.148 4.431 1.00 0.00 O ATOM 1499 CB VAL A 85 79.355 -9.769 1.501 1.00 0.00 C ATOM 1500 CG1 VAL A 85 78.118 -9.115 0.881 1.00 0.00 C ATOM 1501 CG2 VAL A 85 80.479 -9.826 0.470 1.00 0.00 C ATOM 0 H VAL A 85 81.132 -10.361 3.538 1.00 0.00 H new ATOM 0 HA VAL A 85 79.893 -7.903 2.421 1.00 0.00 H new ATOM 0 HB VAL A 85 79.105 -10.781 1.819 1.00 0.00 H new ATOM 0 HG11 VAL A 85 77.791 -9.698 0.020 1.00 0.00 H new ATOM 0 HG12 VAL A 85 77.317 -9.078 1.620 1.00 0.00 H new ATOM 0 HG13 VAL A 85 78.364 -8.102 0.561 1.00 0.00 H new ATOM 0 HG21 VAL A 85 80.153 -10.409 -0.392 1.00 0.00 H new ATOM 0 HG22 VAL A 85 80.731 -8.815 0.150 1.00 0.00 H new ATOM 0 HG23 VAL A 85 81.357 -10.295 0.914 1.00 0.00 H new ATOM 1511 N TYR A 86 78.088 -7.995 4.124 1.00 0.00 N ATOM 1512 CA TYR A 86 77.080 -8.001 5.178 1.00 0.00 C ATOM 1513 C TYR A 86 75.714 -8.365 4.614 1.00 0.00 C ATOM 1514 O TYR A 86 75.328 -7.890 3.547 1.00 0.00 O ATOM 1515 CB TYR A 86 77.014 -6.624 5.843 1.00 0.00 C ATOM 1516 CG TYR A 86 78.216 -6.438 6.739 1.00 0.00 C ATOM 1517 CD1 TYR A 86 79.438 -6.027 6.198 1.00 0.00 C ATOM 1518 CD2 TYR A 86 78.104 -6.676 8.115 1.00 0.00 C ATOM 1519 CE1 TYR A 86 80.550 -5.854 7.032 1.00 0.00 C ATOM 1520 CE2 TYR A 86 79.214 -6.504 8.949 1.00 0.00 C ATOM 1521 CZ TYR A 86 80.437 -6.093 8.407 1.00 0.00 C ATOM 1522 OH TYR A 86 81.534 -5.923 9.229 1.00 0.00 O ATOM 0 H TYR A 86 78.195 -7.102 3.643 1.00 0.00 H new ATOM 0 HA TYR A 86 77.361 -8.749 5.919 1.00 0.00 H new ATOM 0 HB2 TYR A 86 76.989 -5.843 5.083 1.00 0.00 H new ATOM 0 HB3 TYR A 86 76.096 -6.533 6.424 1.00 0.00 H new ATOM 0 HD1 TYR A 86 79.525 -5.843 5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 86 77.160 -6.993 8.532 1.00 0.00 H new ATOM 0 HE1 TYR A 86 81.494 -5.536 6.615 1.00 0.00 H new ATOM 0 HE2 TYR A 86 79.127 -6.688 10.010 1.00 0.00 H new ATOM 0 HH TYR A 86 81.285 -6.129 10.154 1.00 0.00 H new ATOM 1532 N VAL A 87 74.985 -9.207 5.341 1.00 0.00 N ATOM 1533 CA VAL A 87 73.658 -9.627 4.904 1.00 0.00 C ATOM 1534 C VAL A 87 72.610 -9.280 5.954 1.00 0.00 C ATOM 1535 O VAL A 87 72.803 -9.518 7.144 1.00 0.00 O ATOM 1536 CB VAL A 87 73.649 -11.138 4.652 1.00 0.00 C ATOM 1537 CG1 VAL A 87 74.354 -11.441 3.328 1.00 0.00 C ATOM 1538 CG2 VAL A 87 74.386 -11.848 5.791 1.00 0.00 C ATOM 0 H VAL A 87 75.288 -9.609 6.228 1.00 0.00 H new ATOM 0 HA VAL A 87 73.416 -9.100 3.981 1.00 0.00 H new ATOM 0 HB VAL A 87 72.619 -11.491 4.605 1.00 0.00 H new ATOM 0 HG11 VAL A 87 74.347 -12.516 3.150 1.00 0.00 H new ATOM 0 HG12 VAL A 87 73.834 -10.935 2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 87 75.384 -11.088 3.375 1.00 0.00 H new ATOM 0 HG21 VAL A 87 74.381 -12.923 5.613 1.00 0.00 H new ATOM 0 HG22 VAL A 87 75.416 -11.493 5.835 1.00 0.00 H new ATOM 0 HG23 VAL A 87 73.887 -11.634 6.736 1.00 0.00 H new ATOM 1548 N TYR A 88 71.495 -8.717 5.501 1.00 0.00 N ATOM 1549 CA TYR A 88 70.416 -8.343 6.408 1.00 0.00 C ATOM 1550 C TYR A 88 69.335 -9.417 6.425 1.00 0.00 C ATOM 1551 O TYR A 88 69.488 -10.395 5.710 1.00 0.00 O ATOM 1552 CB TYR A 88 69.805 -7.009 5.975 1.00 0.00 C ATOM 1553 CG TYR A 88 69.325 -7.115 4.547 1.00 0.00 C ATOM 1554 CD1 TYR A 88 68.026 -7.558 4.277 1.00 0.00 C ATOM 1555 CD2 TYR A 88 70.181 -6.771 3.494 1.00 0.00 C ATOM 1556 CE1 TYR A 88 67.580 -7.656 2.953 1.00 0.00 C ATOM 1557 CE2 TYR A 88 69.737 -6.869 2.171 1.00 0.00 C ATOM 1558 CZ TYR A 88 68.436 -7.311 1.899 1.00 0.00 C ATOM 1559 OH TYR A 88 67.998 -7.408 0.595 1.00 0.00 O ATOM 1560 OXT TYR A 88 68.372 -9.251 7.155 1.00 0.00 O ATOM 0 H TYR A 88 71.315 -8.511 4.518 1.00 0.00 H new ATOM 0 HA TYR A 88 70.830 -8.243 7.411 1.00 0.00 H new ATOM 0 HB2 TYR A 88 68.974 -6.747 6.631 1.00 0.00 H new ATOM 0 HB3 TYR A 88 70.544 -6.213 6.063 1.00 0.00 H new ATOM 0 HD1 TYR A 88 67.367 -7.825 5.090 1.00 0.00 H new ATOM 0 HD2 TYR A 88 71.184 -6.430 3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 88 66.577 -7.997 2.745 1.00 0.00 H new ATOM 0 HE2 TYR A 88 70.398 -6.604 1.359 1.00 0.00 H new ATOM 0 HH TYR A 88 68.715 -7.130 -0.012 1.00 0.00 H new