USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 519 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 27 THR OG1 : rot -84:sc= 1.09 USER MOD Set 1.2: A 50 SER OG : rot -116:sc= 0.355 USER MOD Set 2.1: A 12 SER OG : rot -108:sc= 0.912 USER MOD Set 2.2: A 14 THR OG1 : rot -148:sc= 1.67 USER MOD Set 2.3: A 59 TYR OH : rot 180:sc= -0.698 USER MOD Single : A 9 ASN : amide:sc= 0.333 X(o=0.33,f=-0.11) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN : amide:sc= -1.61 X(o=-1.6,f=-1.5) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.467 X(o=-0.47,f=-0.57) USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.224 USER MOD Single : A 36 THR OG1 : rot 137:sc= 1.21 USER MOD Single : A 41 ASN : amide:sc= -0.613 K(o=-0.61,f=-2.7!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00965 K(o=-0.0097,f=-1.5!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.0689 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.289 USER MOD Single : A 56 TYR OH : rot 38:sc= -5.04! USER MOD Single : A 60 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0702) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN :FLIP amide:sc= -0.165 F(o=-1.1,f=-0.17) USER MOD ----------------------------------------------------------------- ATOM 163 N GLY A 8 -5.400 -12.855 17.043 1.00 4.54 N ATOM 164 CA GLY A 8 -5.829 -13.434 18.303 1.00 1.12 C ATOM 165 C GLY A 8 -7.319 -13.282 18.534 1.00 12.44 C ATOM 166 O GLY A 8 -7.858 -12.179 18.450 1.00 42.34 O ATOM 0 HA2 GLY A 8 -5.568 -14.492 18.320 1.00 1.12 H new ATOM 0 HA3 GLY A 8 -5.287 -12.959 19.121 1.00 1.12 H new ATOM 170 N ASN A 9 -7.987 -14.393 18.824 1.00 51.20 N ATOM 171 CA ASN A 9 -9.426 -14.380 19.066 1.00 63.11 C ATOM 172 C ASN A 9 -9.854 -15.602 19.873 1.00 4.24 C ATOM 173 O ASN A 9 -9.547 -16.737 19.510 1.00 20.25 O ATOM 174 CB ASN A 9 -10.185 -14.339 17.739 1.00 62.31 C ATOM 175 CG ASN A 9 -11.628 -14.784 17.885 1.00 62.52 C ATOM 176 OD1 ASN A 9 -12.132 -15.568 17.081 1.00 73.41 O ATOM 177 ND2 ASN A 9 -12.299 -14.285 18.916 1.00 54.03 N ATOM 0 H ASN A 9 -7.556 -15.314 18.897 1.00 51.20 H new ATOM 0 HA ASN A 9 -9.665 -13.486 19.642 1.00 63.11 H new ATOM 0 HB2 ASN A 9 -10.159 -13.325 17.340 1.00 62.31 H new ATOM 0 HB3 ASN A 9 -9.681 -14.980 17.015 1.00 62.31 H new ATOM 0 HD21 ASN A 9 -13.273 -14.549 19.067 1.00 54.03 H new ATOM 0 HD22 ASN A 9 -11.841 -13.638 19.558 1.00 54.03 H new ATOM 184 N VAL A 10 -10.564 -15.360 20.970 1.00 11.42 N ATOM 185 CA VAL A 10 -11.036 -16.439 21.829 1.00 24.54 C ATOM 186 C VAL A 10 -12.560 -16.469 21.886 1.00 65.31 C ATOM 187 O VAL A 10 -13.204 -15.446 22.118 1.00 73.33 O ATOM 188 CB VAL A 10 -10.482 -16.302 23.259 1.00 72.34 C ATOM 189 CG1 VAL A 10 -11.005 -17.423 24.144 1.00 4.15 C ATOM 190 CG2 VAL A 10 -8.961 -16.293 23.242 1.00 42.41 C ATOM 0 H VAL A 10 -10.825 -14.426 21.285 1.00 11.42 H new ATOM 0 HA VAL A 10 -10.673 -17.371 21.395 1.00 24.54 H new ATOM 0 HB VAL A 10 -10.825 -15.354 23.673 1.00 72.34 H new ATOM 0 HG11 VAL A 10 -10.603 -17.310 25.151 1.00 4.15 H new ATOM 0 HG12 VAL A 10 -12.094 -17.380 24.181 1.00 4.15 H new ATOM 0 HG13 VAL A 10 -10.694 -18.384 23.735 1.00 4.15 H new ATOM 0 HG21 VAL A 10 -8.586 -16.195 24.261 1.00 42.41 H new ATOM 0 HG22 VAL A 10 -8.596 -17.224 22.809 1.00 42.41 H new ATOM 0 HG23 VAL A 10 -8.609 -15.453 22.644 1.00 42.41 H new ATOM 200 N THR A 11 -13.131 -17.651 21.675 1.00 10.10 N ATOM 201 CA THR A 11 -14.579 -17.815 21.702 1.00 34.03 C ATOM 202 C THR A 11 -14.985 -18.956 22.628 1.00 20.04 C ATOM 203 O THR A 11 -14.160 -19.789 23.001 1.00 73.43 O ATOM 204 CB THR A 11 -15.140 -18.088 20.294 1.00 22.23 C ATOM 205 OG1 THR A 11 -14.229 -18.907 19.554 1.00 45.23 O ATOM 206 CG2 THR A 11 -15.382 -16.785 19.546 1.00 3.03 C ATOM 0 H THR A 11 -12.613 -18.508 21.484 1.00 10.10 H new ATOM 0 HA THR A 11 -14.996 -16.880 22.076 1.00 34.03 H new ATOM 0 HB THR A 11 -16.091 -18.609 20.401 1.00 22.23 H new ATOM 0 HG1 THR A 11 -14.594 -19.077 18.661 1.00 45.23 H new ATOM 0 HG21 THR A 11 -15.778 -17.003 18.554 1.00 3.03 H new ATOM 0 HG22 THR A 11 -16.099 -16.177 20.097 1.00 3.03 H new ATOM 0 HG23 THR A 11 -14.442 -16.241 19.450 1.00 3.03 H new ATOM 214 N SER A 12 -16.263 -18.988 22.995 1.00 72.20 N ATOM 215 CA SER A 12 -16.778 -20.025 23.880 1.00 63.13 C ATOM 216 C SER A 12 -17.154 -21.276 23.091 1.00 64.31 C ATOM 217 O SER A 12 -17.559 -21.194 21.930 1.00 41.10 O ATOM 218 CB SER A 12 -17.995 -19.510 24.651 1.00 31.13 C ATOM 219 OG SER A 12 -18.108 -20.148 25.911 1.00 24.24 O ATOM 0 H SER A 12 -16.960 -18.307 22.693 1.00 72.20 H new ATOM 0 HA SER A 12 -15.992 -20.286 24.588 1.00 63.13 H new ATOM 0 HB2 SER A 12 -17.911 -18.432 24.792 1.00 31.13 H new ATOM 0 HB3 SER A 12 -18.899 -19.686 24.069 1.00 31.13 H new ATOM 0 HG SER A 12 -18.862 -20.774 25.894 1.00 24.24 H new ATOM 225 N LYS A 13 -17.019 -22.434 23.729 1.00 44.22 N ATOM 226 CA LYS A 13 -17.345 -23.703 23.089 1.00 60.22 C ATOM 227 C LYS A 13 -18.790 -24.100 23.375 1.00 54.30 C ATOM 228 O LYS A 13 -19.170 -25.260 23.207 1.00 2.34 O ATOM 229 CB LYS A 13 -16.396 -24.801 23.576 1.00 51.22 C ATOM 230 CG LYS A 13 -16.285 -25.975 22.620 1.00 2.31 C ATOM 231 CD LYS A 13 -16.018 -27.274 23.361 1.00 13.33 C ATOM 232 CE LYS A 13 -15.618 -28.389 22.407 1.00 53.45 C ATOM 233 NZ LYS A 13 -14.158 -28.371 22.113 1.00 51.21 N1+ ATOM 0 H LYS A 13 -16.686 -22.520 24.689 1.00 44.22 H new ATOM 0 HA LYS A 13 -17.227 -23.581 22.012 1.00 60.22 H new ATOM 0 HB2 LYS A 13 -15.406 -24.372 23.729 1.00 51.22 H new ATOM 0 HB3 LYS A 13 -16.739 -25.163 24.545 1.00 51.22 H new ATOM 0 HG2 LYS A 13 -17.207 -26.066 22.045 1.00 2.31 H new ATOM 0 HG3 LYS A 13 -15.482 -25.790 21.907 1.00 2.31 H new ATOM 0 HD2 LYS A 13 -15.226 -27.120 24.094 1.00 13.33 H new ATOM 0 HD3 LYS A 13 -16.910 -27.569 23.913 1.00 13.33 H new ATOM 0 HE2 LYS A 13 -15.889 -29.352 22.840 1.00 53.45 H new ATOM 0 HE3 LYS A 13 -16.177 -28.289 21.477 1.00 53.45 H new ATOM 0 HZ1 LYS A 13 -13.926 -29.146 21.460 1.00 51.21 H new ATOM 0 HZ2 LYS A 13 -13.903 -27.462 21.677 1.00 51.21 H new ATOM 0 HZ3 LYS A 13 -13.624 -28.492 22.997 1.00 51.21 H new ATOM 247 N THR A 14 -19.592 -23.131 23.806 1.00 41.41 N ATOM 248 CA THR A 14 -20.993 -23.380 24.115 1.00 75.14 C ATOM 249 C THR A 14 -21.883 -23.073 22.915 1.00 53.42 C ATOM 250 O THR A 14 -22.604 -23.943 22.426 1.00 1.11 O ATOM 251 CB THR A 14 -21.463 -22.539 25.316 1.00 22.31 C ATOM 252 OG1 THR A 14 -20.556 -21.452 25.537 1.00 34.11 O ATOM 253 CG2 THR A 14 -21.553 -23.392 26.573 1.00 0.42 C ATOM 0 H THR A 14 -19.294 -22.166 23.949 1.00 41.41 H new ATOM 0 HA THR A 14 -21.077 -24.437 24.367 1.00 75.14 H new ATOM 0 HB THR A 14 -22.454 -22.146 25.090 1.00 22.31 H new ATOM 0 HG1 THR A 14 -20.524 -21.242 26.494 1.00 34.11 H new ATOM 0 HG21 THR A 14 -21.887 -22.776 27.408 1.00 0.42 H new ATOM 0 HG22 THR A 14 -22.264 -24.202 26.413 1.00 0.42 H new ATOM 0 HG23 THR A 14 -20.572 -23.810 26.800 1.00 0.42 H new ATOM 261 N ASP A 15 -21.827 -21.832 22.446 1.00 13.30 N ATOM 262 CA ASP A 15 -22.627 -21.410 21.303 1.00 3.24 C ATOM 263 C ASP A 15 -21.735 -20.936 20.160 1.00 54.23 C ATOM 264 O ASP A 15 -22.118 -21.000 18.993 1.00 30.21 O ATOM 265 CB ASP A 15 -23.591 -20.293 21.710 1.00 34.54 C ATOM 266 CG ASP A 15 -24.912 -20.829 22.226 1.00 5.42 C ATOM 267 OD1 ASP A 15 -25.355 -20.377 23.302 1.00 25.13 O ATOM 268 OD2 ASP A 15 -25.503 -21.701 21.554 1.00 72.52 O1- ATOM 0 H ASP A 15 -21.236 -21.100 22.840 1.00 13.30 H new ATOM 0 HA ASP A 15 -23.203 -22.269 20.959 1.00 3.24 H new ATOM 0 HB2 ASP A 15 -23.126 -19.678 22.480 1.00 34.54 H new ATOM 0 HB3 ASP A 15 -23.775 -19.645 20.853 1.00 34.54 H new ATOM 273 N GLY A 16 -20.543 -20.459 20.506 1.00 45.50 N ATOM 274 CA GLY A 16 -19.614 -19.981 19.498 1.00 13.14 C ATOM 275 C GLY A 16 -19.524 -18.467 19.466 1.00 50.04 C ATOM 276 O GLY A 16 -19.255 -17.878 18.420 1.00 53.34 O ATOM 0 H GLY A 16 -20.204 -20.395 21.466 1.00 45.50 H new ATOM 0 HA2 GLY A 16 -18.625 -20.397 19.692 1.00 13.14 H new ATOM 0 HA3 GLY A 16 -19.926 -20.345 18.519 1.00 13.14 H new ATOM 280 N GLN A 17 -19.749 -17.839 20.615 1.00 15.14 N ATOM 281 CA GLN A 17 -19.693 -16.385 20.713 1.00 71.43 C ATOM 282 C GLN A 17 -18.337 -15.926 21.239 1.00 32.32 C ATOM 283 O GLN A 17 -17.593 -16.689 21.857 1.00 12.20 O ATOM 284 CB GLN A 17 -20.808 -15.870 21.626 1.00 54.31 C ATOM 285 CG GLN A 17 -22.131 -15.655 20.909 1.00 63.40 C ATOM 286 CD GLN A 17 -22.235 -14.278 20.281 1.00 73.24 C ATOM 287 OE1 GLN A 17 -22.737 -13.338 20.899 1.00 3.00 O ATOM 288 NE2 GLN A 17 -21.762 -14.151 19.047 1.00 74.15 N ATOM 0 H GLN A 17 -19.972 -18.313 21.490 1.00 15.14 H new ATOM 0 HA GLN A 17 -19.833 -15.974 19.713 1.00 71.43 H new ATOM 0 HB2 GLN A 17 -20.957 -16.580 22.440 1.00 54.31 H new ATOM 0 HB3 GLN A 17 -20.492 -14.929 22.077 1.00 54.31 H new ATOM 0 HG2 GLN A 17 -22.248 -16.413 20.135 1.00 63.40 H new ATOM 0 HG3 GLN A 17 -22.950 -15.791 21.616 1.00 63.40 H new ATOM 0 HE21 GLN A 17 -21.354 -14.956 18.572 1.00 74.15 H new ATOM 0 HE22 GLN A 17 -21.806 -13.248 18.574 1.00 74.15 H new ATOM 297 N PRO A 18 -18.005 -14.650 20.989 1.00 51.11 N ATOM 298 CA PRO A 18 -16.737 -14.062 21.429 1.00 61.23 C ATOM 299 C PRO A 18 -16.674 -13.884 22.943 1.00 5.35 C ATOM 300 O PRO A 18 -17.668 -13.530 23.577 1.00 41.13 O ATOM 301 CB PRO A 18 -16.716 -12.701 20.729 1.00 11.54 C ATOM 302 CG PRO A 18 -18.151 -12.372 20.498 1.00 0.34 C ATOM 303 CD PRO A 18 -18.843 -13.685 20.258 1.00 14.12 C ATOM 0 HA PRO A 18 -15.886 -14.697 21.183 1.00 61.23 H new ATOM 0 HB2 PRO A 18 -16.231 -11.945 21.347 1.00 11.54 H new ATOM 0 HB3 PRO A 18 -16.164 -12.747 19.790 1.00 11.54 H new ATOM 0 HG2 PRO A 18 -18.577 -11.858 21.360 1.00 0.34 H new ATOM 0 HG3 PRO A 18 -18.266 -11.708 19.641 1.00 0.34 H new ATOM 0 HD2 PRO A 18 -19.866 -13.675 20.634 1.00 14.12 H new ATOM 0 HD3 PRO A 18 -18.897 -13.923 19.196 1.00 14.12 H new ATOM 311 N ILE A 19 -15.501 -14.132 23.515 1.00 51.31 N ATOM 312 CA ILE A 19 -15.310 -13.998 24.954 1.00 72.32 C ATOM 313 C ILE A 19 -14.959 -12.562 25.329 1.00 61.13 C ATOM 314 O ILE A 19 -13.907 -12.049 24.947 1.00 31.30 O ATOM 315 CB ILE A 19 -14.200 -14.936 25.464 1.00 71.32 C ATOM 316 CG1 ILE A 19 -14.429 -16.359 24.952 1.00 63.22 C ATOM 317 CG2 ILE A 19 -14.147 -14.916 26.984 1.00 24.05 C ATOM 318 CD1 ILE A 19 -15.775 -16.931 25.339 1.00 75.31 C ATOM 0 H ILE A 19 -14.669 -14.427 23.004 1.00 51.31 H new ATOM 0 HA ILE A 19 -16.253 -14.275 25.426 1.00 72.32 H new ATOM 0 HB ILE A 19 -13.242 -14.583 25.082 1.00 71.32 H new ATOM 0 HG12 ILE A 19 -14.340 -16.364 23.866 1.00 63.22 H new ATOM 0 HG13 ILE A 19 -13.643 -17.007 25.340 1.00 63.22 H new ATOM 0 HG21 ILE A 19 -13.358 -15.584 27.329 1.00 24.05 H new ATOM 0 HG22 ILE A 19 -13.941 -13.902 27.328 1.00 24.05 H new ATOM 0 HG23 ILE A 19 -15.104 -15.248 27.386 1.00 24.05 H new ATOM 0 HD11 ILE A 19 -15.868 -17.942 24.942 1.00 75.31 H new ATOM 0 HD12 ILE A 19 -15.860 -16.958 26.425 1.00 75.31 H new ATOM 0 HD13 ILE A 19 -16.568 -16.306 24.928 1.00 75.31 H new ATOM 330 N ILE A 20 -15.847 -11.919 26.081 1.00 0.14 N ATOM 331 CA ILE A 20 -15.630 -10.544 26.510 1.00 33.25 C ATOM 332 C ILE A 20 -15.216 -10.485 27.977 1.00 4.43 C ATOM 333 O ILE A 20 -15.778 -11.184 28.820 1.00 31.01 O ATOM 334 CB ILE A 20 -16.892 -9.685 26.311 1.00 33.04 C ATOM 335 CG1 ILE A 20 -17.472 -9.909 24.912 1.00 32.15 C ATOM 336 CG2 ILE A 20 -16.573 -8.214 26.528 1.00 11.11 C ATOM 337 CD1 ILE A 20 -18.764 -9.163 24.667 1.00 42.20 C ATOM 0 H ILE A 20 -16.723 -12.329 26.405 1.00 0.14 H new ATOM 0 HA ILE A 20 -14.827 -10.144 25.891 1.00 33.25 H new ATOM 0 HB ILE A 20 -17.638 -9.986 27.047 1.00 33.04 H new ATOM 0 HG12 ILE A 20 -16.737 -9.600 24.169 1.00 32.15 H new ATOM 0 HG13 ILE A 20 -17.644 -10.975 24.765 1.00 32.15 H new ATOM 0 HG21 ILE A 20 -17.476 -7.621 26.383 1.00 11.11 H new ATOM 0 HG22 ILE A 20 -16.201 -8.068 27.542 1.00 11.11 H new ATOM 0 HG23 ILE A 20 -15.813 -7.897 25.814 1.00 11.11 H new ATOM 0 HD11 ILE A 20 -19.117 -9.368 23.656 1.00 42.20 H new ATOM 0 HD12 ILE A 20 -19.515 -9.489 25.387 1.00 42.20 H new ATOM 0 HD13 ILE A 20 -18.593 -8.093 24.781 1.00 42.20 H new ATOM 349 N GLY A 21 -14.231 -9.644 28.276 1.00 4.13 N ATOM 350 CA GLY A 21 -13.760 -9.508 29.642 1.00 62.52 C ATOM 351 C GLY A 21 -12.904 -10.679 30.079 1.00 10.52 C ATOM 352 O GLY A 21 -13.104 -11.235 31.158 1.00 13.11 O ATOM 0 H GLY A 21 -13.751 -9.054 27.597 1.00 4.13 H new ATOM 0 HA2 GLY A 21 -13.185 -8.587 29.735 1.00 62.52 H new ATOM 0 HA3 GLY A 21 -14.616 -9.418 30.311 1.00 62.52 H new ATOM 356 N ALA A 22 -11.946 -11.058 29.237 1.00 14.24 N ATOM 357 CA ALA A 22 -11.056 -12.170 29.543 1.00 24.05 C ATOM 358 C ALA A 22 -9.759 -11.678 30.176 1.00 13.45 C ATOM 359 O ALA A 22 -9.382 -10.517 30.018 1.00 23.13 O ATOM 360 CB ALA A 22 -10.761 -12.972 28.284 1.00 63.11 C ATOM 0 H ALA A 22 -11.768 -10.610 28.338 1.00 14.24 H new ATOM 0 HA ALA A 22 -11.558 -12.817 30.263 1.00 24.05 H new ATOM 0 HB1 ALA A 22 -10.095 -13.800 28.528 1.00 63.11 H new ATOM 0 HB2 ALA A 22 -11.693 -13.364 27.876 1.00 63.11 H new ATOM 0 HB3 ALA A 22 -10.284 -12.328 27.546 1.00 63.11 H new ATOM 366 N SER A 23 -9.079 -12.568 30.891 1.00 20.43 N ATOM 367 CA SER A 23 -7.826 -12.223 31.551 1.00 45.41 C ATOM 368 C SER A 23 -6.638 -12.832 30.814 1.00 32.33 C ATOM 369 O SER A 23 -6.412 -14.042 30.870 1.00 40.44 O ATOM 370 CB SER A 23 -7.841 -12.703 33.004 1.00 52.44 C ATOM 371 OG SER A 23 -9.084 -12.419 33.623 1.00 21.24 O ATOM 0 H SER A 23 -9.375 -13.534 31.028 1.00 20.43 H new ATOM 0 HA SER A 23 -7.723 -11.138 31.536 1.00 45.41 H new ATOM 0 HB2 SER A 23 -7.651 -13.776 33.038 1.00 52.44 H new ATOM 0 HB3 SER A 23 -7.036 -12.220 33.558 1.00 52.44 H new ATOM 0 HG SER A 23 -9.068 -12.737 34.550 1.00 21.24 H new ATOM 377 N VAL A 24 -5.880 -11.987 30.123 1.00 70.10 N ATOM 378 CA VAL A 24 -4.714 -12.441 29.375 1.00 11.40 C ATOM 379 C VAL A 24 -3.423 -11.943 30.015 1.00 21.15 C ATOM 380 O VAL A 24 -3.122 -10.750 29.984 1.00 75.44 O ATOM 381 CB VAL A 24 -4.765 -11.965 27.911 1.00 12.12 C ATOM 382 CG1 VAL A 24 -3.521 -12.411 27.161 1.00 65.33 C ATOM 383 CG2 VAL A 24 -6.023 -12.480 27.229 1.00 64.12 C ATOM 0 H VAL A 24 -6.053 -10.983 30.066 1.00 70.10 H new ATOM 0 HA VAL A 24 -4.730 -13.531 29.395 1.00 11.40 H new ATOM 0 HB VAL A 24 -4.793 -10.875 27.901 1.00 12.12 H new ATOM 0 HG11 VAL A 24 -3.575 -12.066 26.129 1.00 65.33 H new ATOM 0 HG12 VAL A 24 -2.637 -11.989 27.639 1.00 65.33 H new ATOM 0 HG13 VAL A 24 -3.457 -13.499 27.177 1.00 65.33 H new ATOM 0 HG21 VAL A 24 -6.044 -12.135 26.195 1.00 64.12 H new ATOM 0 HG22 VAL A 24 -6.027 -13.570 27.248 1.00 64.12 H new ATOM 0 HG23 VAL A 24 -6.901 -12.105 27.754 1.00 64.12 H new ATOM 393 N VAL A 25 -2.661 -12.866 30.595 1.00 54.40 N ATOM 394 CA VAL A 25 -1.401 -12.520 31.240 1.00 74.22 C ATOM 395 C VAL A 25 -0.244 -13.316 30.647 1.00 74.52 C ATOM 396 O VAL A 25 -0.408 -14.471 30.254 1.00 52.34 O ATOM 397 CB VAL A 25 -1.459 -12.776 32.758 1.00 4.15 C ATOM 398 CG1 VAL A 25 -2.631 -12.031 33.380 1.00 41.31 C ATOM 399 CG2 VAL A 25 -1.552 -14.267 33.045 1.00 31.03 C ATOM 0 H VAL A 25 -2.895 -13.858 30.631 1.00 54.40 H new ATOM 0 HA VAL A 25 -1.236 -11.457 31.063 1.00 74.22 H new ATOM 0 HB VAL A 25 -0.540 -12.400 33.207 1.00 4.15 H new ATOM 0 HG11 VAL A 25 -2.656 -12.223 34.453 1.00 41.31 H new ATOM 0 HG12 VAL A 25 -2.516 -10.961 33.206 1.00 41.31 H new ATOM 0 HG13 VAL A 25 -3.562 -12.374 32.928 1.00 41.31 H new ATOM 0 HG21 VAL A 25 -1.592 -14.428 34.122 1.00 31.03 H new ATOM 0 HG22 VAL A 25 -2.453 -14.671 32.584 1.00 31.03 H new ATOM 0 HG23 VAL A 25 -0.677 -14.772 32.635 1.00 31.03 H new ATOM 409 N GLU A 26 0.927 -12.691 30.586 1.00 60.03 N ATOM 410 CA GLU A 26 2.113 -13.342 30.039 1.00 2.03 C ATOM 411 C GLU A 26 2.887 -14.070 31.135 1.00 74.12 C ATOM 412 O GLU A 26 2.773 -13.741 32.316 1.00 32.34 O ATOM 413 CB GLU A 26 3.018 -12.314 29.358 1.00 54.12 C ATOM 414 CG GLU A 26 2.265 -11.322 28.487 1.00 11.04 C ATOM 415 CD GLU A 26 1.350 -12.002 27.487 1.00 42.11 C ATOM 416 OE1 GLU A 26 1.673 -11.983 26.280 1.00 1.54 O ATOM 417 OE2 GLU A 26 0.312 -12.551 27.909 1.00 73.20 O1- ATOM 0 H GLU A 26 1.081 -11.735 30.908 1.00 60.03 H new ATOM 0 HA GLU A 26 1.787 -14.074 29.300 1.00 2.03 H new ATOM 0 HB2 GLU A 26 3.571 -11.767 30.122 1.00 54.12 H new ATOM 0 HB3 GLU A 26 3.752 -12.838 28.746 1.00 54.12 H new ATOM 0 HG2 GLU A 26 1.676 -10.661 29.122 1.00 11.04 H new ATOM 0 HG3 GLU A 26 2.980 -10.697 27.953 1.00 11.04 H new ATOM 424 N THR A 27 3.674 -15.065 30.734 1.00 32.44 N ATOM 425 CA THR A 27 4.466 -15.841 31.679 1.00 21.42 C ATOM 426 C THR A 27 5.647 -15.032 32.203 1.00 43.23 C ATOM 427 O THR A 27 6.062 -15.191 33.351 1.00 52.43 O ATOM 428 CB THR A 27 4.991 -17.140 31.038 1.00 43.33 C ATOM 429 OG1 THR A 27 5.736 -16.835 29.855 1.00 43.23 O ATOM 430 CG2 THR A 27 3.842 -18.076 30.693 1.00 11.11 C ATOM 0 H THR A 27 3.779 -15.351 29.761 1.00 32.44 H new ATOM 0 HA THR A 27 3.807 -16.095 32.510 1.00 21.42 H new ATOM 0 HB THR A 27 5.641 -17.638 31.758 1.00 43.33 H new ATOM 0 HG1 THR A 27 5.122 -16.735 29.098 1.00 43.23 H new ATOM 0 HG21 THR A 27 4.237 -18.986 30.242 1.00 11.11 H new ATOM 0 HG22 THR A 27 3.294 -18.329 31.601 1.00 11.11 H new ATOM 0 HG23 THR A 27 3.171 -17.584 29.989 1.00 11.11 H new ATOM 438 N THR A 28 6.185 -14.162 31.354 1.00 30.42 N ATOM 439 CA THR A 28 7.319 -13.329 31.731 1.00 4.41 C ATOM 440 C THR A 28 6.859 -12.063 32.444 1.00 13.12 C ATOM 441 O THR A 28 7.621 -11.444 33.185 1.00 64.00 O ATOM 442 CB THR A 28 8.160 -12.935 30.502 1.00 64.03 C ATOM 443 OG1 THR A 28 7.402 -12.073 29.645 1.00 63.55 O ATOM 444 CG2 THR A 28 8.599 -14.169 29.728 1.00 20.21 C ATOM 0 H THR A 28 5.853 -14.016 30.401 1.00 30.42 H new ATOM 0 HA THR A 28 7.934 -13.921 32.409 1.00 4.41 H new ATOM 0 HB THR A 28 9.049 -12.409 30.851 1.00 64.03 H new ATOM 0 HG1 THR A 28 7.944 -11.826 28.867 1.00 63.55 H new ATOM 0 HG21 THR A 28 9.191 -13.865 28.865 1.00 20.21 H new ATOM 0 HG22 THR A 28 9.200 -14.809 30.374 1.00 20.21 H new ATOM 0 HG23 THR A 28 7.720 -14.718 29.390 1.00 20.21 H new ATOM 452 N ALA A 29 5.605 -11.685 32.215 1.00 21.15 N ATOM 453 CA ALA A 29 5.042 -10.493 32.840 1.00 63.21 C ATOM 454 C ALA A 29 3.518 -10.529 32.814 1.00 61.33 C ATOM 455 O ALA A 29 2.897 -10.307 31.774 1.00 2.51 O ATOM 456 CB ALA A 29 5.553 -9.241 32.143 1.00 62.41 C ATOM 0 H ALA A 29 4.961 -12.186 31.603 1.00 21.15 H new ATOM 0 HA ALA A 29 5.362 -10.473 33.882 1.00 63.21 H new ATOM 0 HB1 ALA A 29 5.125 -8.359 32.619 1.00 62.41 H new ATOM 0 HB2 ALA A 29 6.640 -9.202 32.216 1.00 62.41 H new ATOM 0 HB3 ALA A 29 5.261 -9.264 31.093 1.00 62.41 H new ATOM 462 N THR A 30 2.917 -10.812 33.967 1.00 64.05 N ATOM 463 CA THR A 30 1.466 -10.880 34.076 1.00 52.03 C ATOM 464 C THR A 30 0.872 -9.504 34.357 1.00 44.32 C ATOM 465 O THR A 30 -0.221 -9.180 33.889 1.00 33.44 O ATOM 466 CB THR A 30 1.031 -11.852 35.189 1.00 73.01 C ATOM 467 OG1 THR A 30 1.441 -11.350 36.466 1.00 1.52 O ATOM 468 CG2 THR A 30 1.628 -13.233 34.965 1.00 41.22 C ATOM 0 H THR A 30 3.414 -10.998 34.838 1.00 64.05 H new ATOM 0 HA THR A 30 1.093 -11.246 33.119 1.00 52.03 H new ATOM 0 HB THR A 30 -0.056 -11.935 35.164 1.00 73.01 H new ATOM 0 HG1 THR A 30 1.159 -11.973 37.168 1.00 1.52 H new ATOM 0 HG21 THR A 30 1.307 -13.902 35.763 1.00 41.22 H new ATOM 0 HG22 THR A 30 1.290 -13.624 34.006 1.00 41.22 H new ATOM 0 HG23 THR A 30 2.716 -13.164 34.965 1.00 41.22 H new ATOM 476 N THR A 31 1.597 -8.696 35.126 1.00 20.21 N ATOM 477 CA THR A 31 1.141 -7.356 35.469 1.00 74.23 C ATOM 478 C THR A 31 0.778 -6.561 34.220 1.00 5.21 C ATOM 479 O THR A 31 -0.089 -5.689 34.259 1.00 44.33 O ATOM 480 CB THR A 31 2.213 -6.584 36.262 1.00 70.21 C ATOM 481 OG1 THR A 31 3.434 -6.538 35.516 1.00 65.04 O ATOM 482 CG2 THR A 31 2.461 -7.237 37.613 1.00 32.33 C ATOM 0 H THR A 31 2.502 -8.948 35.522 1.00 20.21 H new ATOM 0 HA THR A 31 0.254 -7.474 36.091 1.00 74.23 H new ATOM 0 HB THR A 31 1.851 -5.569 36.429 1.00 70.21 H new ATOM 0 HG1 THR A 31 4.110 -6.044 36.025 1.00 65.04 H new ATOM 0 HG21 THR A 31 3.221 -6.675 38.155 1.00 32.33 H new ATOM 0 HG22 THR A 31 1.536 -7.244 38.189 1.00 32.33 H new ATOM 0 HG23 THR A 31 2.804 -8.261 37.465 1.00 32.33 H new ATOM 490 N ASN A 32 1.445 -6.869 33.113 1.00 33.34 N ATOM 491 CA ASN A 32 1.192 -6.183 31.852 1.00 52.15 C ATOM 492 C ASN A 32 0.183 -6.953 31.007 1.00 70.20 C ATOM 493 O ASN A 32 0.233 -6.923 29.778 1.00 25.25 O ATOM 494 CB ASN A 32 2.496 -6.006 31.073 1.00 21.20 C ATOM 495 CG ASN A 32 2.355 -5.030 29.921 1.00 12.02 C ATOM 496 OD1 ASN A 32 1.853 -3.919 30.093 1.00 74.30 O ATOM 497 ND2 ASN A 32 2.797 -5.442 28.738 1.00 53.21 N ATOM 0 H ASN A 32 2.165 -7.590 33.064 1.00 33.34 H new ATOM 0 HA ASN A 32 0.776 -5.201 32.079 1.00 52.15 H new ATOM 0 HB2 ASN A 32 3.275 -5.655 31.750 1.00 21.20 H new ATOM 0 HB3 ASN A 32 2.820 -6.973 30.688 1.00 21.20 H new ATOM 0 HD21 ASN A 32 2.727 -4.829 27.926 1.00 53.21 H new ATOM 0 HD22 ASN A 32 3.206 -6.371 28.642 1.00 53.21 H new ATOM 504 N GLY A 33 -0.737 -7.643 31.676 1.00 61.22 N ATOM 505 CA GLY A 33 -1.747 -8.411 30.970 1.00 53.12 C ATOM 506 C GLY A 33 -2.795 -7.531 30.320 1.00 52.44 C ATOM 507 O GLY A 33 -2.911 -6.348 30.641 1.00 13.13 O ATOM 0 H GLY A 33 -0.801 -7.684 32.693 1.00 61.22 H new ATOM 0 HA2 GLY A 33 -1.266 -9.022 30.206 1.00 53.12 H new ATOM 0 HA3 GLY A 33 -2.232 -9.094 31.667 1.00 53.12 H new ATOM 511 N THR A 34 -3.562 -8.107 29.399 1.00 73.43 N ATOM 512 CA THR A 34 -4.605 -7.368 28.700 1.00 24.51 C ATOM 513 C THR A 34 -5.924 -8.130 28.713 1.00 64.20 C ATOM 514 O THR A 34 -5.969 -9.304 29.085 1.00 40.52 O ATOM 515 CB THR A 34 -4.205 -7.080 27.240 1.00 43.53 C ATOM 516 OG1 THR A 34 -5.194 -6.253 26.616 1.00 72.33 O ATOM 517 CG2 THR A 34 -4.051 -8.375 26.456 1.00 1.21 C ATOM 0 H THR A 34 -3.480 -9.085 29.120 1.00 73.43 H new ATOM 0 HA THR A 34 -4.731 -6.423 29.229 1.00 24.51 H new ATOM 0 HB THR A 34 -3.247 -6.560 27.244 1.00 43.53 H new ATOM 0 HG1 THR A 34 -4.932 -6.073 25.689 1.00 72.33 H new ATOM 0 HG21 THR A 34 -3.768 -8.147 25.428 1.00 1.21 H new ATOM 0 HG22 THR A 34 -3.278 -8.990 26.917 1.00 1.21 H new ATOM 0 HG23 THR A 34 -4.996 -8.918 26.460 1.00 1.21 H new ATOM 525 N ILE A 35 -6.995 -7.458 28.305 1.00 53.35 N ATOM 526 CA ILE A 35 -8.315 -8.074 28.269 1.00 41.13 C ATOM 527 C ILE A 35 -8.842 -8.162 26.841 1.00 31.20 C ATOM 528 O ILE A 35 -8.329 -7.503 25.936 1.00 21.21 O ATOM 529 CB ILE A 35 -9.325 -7.293 29.131 1.00 72.12 C ATOM 530 CG1 ILE A 35 -9.351 -5.821 28.715 1.00 3.53 C ATOM 531 CG2 ILE A 35 -8.977 -7.428 30.606 1.00 55.24 C ATOM 532 CD1 ILE A 35 -10.706 -5.354 28.232 1.00 62.41 C ATOM 0 H ILE A 35 -6.974 -6.487 27.995 1.00 53.35 H new ATOM 0 HA ILE A 35 -8.205 -9.079 28.675 1.00 41.13 H new ATOM 0 HB ILE A 35 -10.318 -7.713 28.973 1.00 72.12 H new ATOM 0 HG12 ILE A 35 -9.045 -5.207 29.562 1.00 3.53 H new ATOM 0 HG13 ILE A 35 -8.618 -5.662 27.924 1.00 3.53 H new ATOM 0 HG21 ILE A 35 -9.699 -6.871 31.203 1.00 55.24 H new ATOM 0 HG22 ILE A 35 -9.004 -8.480 30.892 1.00 55.24 H new ATOM 0 HG23 ILE A 35 -7.977 -7.030 30.782 1.00 55.24 H new ATOM 0 HD11 ILE A 35 -10.650 -4.302 27.954 1.00 62.41 H new ATOM 0 HD12 ILE A 35 -11.006 -5.943 27.365 1.00 62.41 H new ATOM 0 HD13 ILE A 35 -11.440 -5.481 29.028 1.00 62.41 H new ATOM 544 N THR A 36 -9.874 -8.978 26.645 1.00 11.05 N ATOM 545 CA THR A 36 -10.472 -9.150 25.327 1.00 11.35 C ATOM 546 C THR A 36 -11.583 -8.133 25.090 1.00 20.04 C ATOM 547 O THR A 36 -12.242 -7.690 26.030 1.00 42.14 O ATOM 548 CB THR A 36 -11.045 -10.570 25.153 1.00 15.54 C ATOM 549 OG1 THR A 36 -11.799 -10.939 26.312 1.00 5.11 O ATOM 550 CG2 THR A 36 -9.930 -11.578 24.923 1.00 55.34 C ATOM 0 H THR A 36 -10.312 -9.530 27.382 1.00 11.05 H new ATOM 0 HA THR A 36 -9.679 -8.993 24.596 1.00 11.35 H new ATOM 0 HB THR A 36 -11.699 -10.571 24.281 1.00 15.54 H new ATOM 0 HG1 THR A 36 -12.633 -11.372 26.035 1.00 5.11 H new ATOM 0 HG21 THR A 36 -10.358 -12.573 24.803 1.00 55.34 H new ATOM 0 HG22 THR A 36 -9.377 -11.310 24.023 1.00 55.34 H new ATOM 0 HG23 THR A 36 -9.254 -11.575 25.778 1.00 55.34 H new ATOM 558 N ASP A 37 -11.785 -7.769 23.829 1.00 12.13 N ATOM 559 CA ASP A 37 -12.819 -6.805 23.468 1.00 12.53 C ATOM 560 C ASP A 37 -14.131 -7.511 23.144 1.00 15.53 C ATOM 561 O ASP A 37 -14.225 -8.736 23.221 1.00 0.31 O ATOM 562 CB ASP A 37 -12.368 -5.966 22.272 1.00 5.44 C ATOM 563 CG ASP A 37 -11.134 -5.138 22.577 1.00 34.54 C ATOM 564 OD1 ASP A 37 -10.712 -4.357 21.699 1.00 11.40 O ATOM 565 OD2 ASP A 37 -10.593 -5.272 23.694 1.00 5.53 O1- ATOM 0 H ASP A 37 -11.247 -8.126 23.039 1.00 12.13 H new ATOM 0 HA ASP A 37 -12.983 -6.148 24.322 1.00 12.53 H new ATOM 0 HB2 ASP A 37 -12.161 -6.624 21.428 1.00 5.44 H new ATOM 0 HB3 ASP A 37 -13.180 -5.305 21.969 1.00 5.44 H new ATOM 570 N PHE A 38 -15.144 -6.730 22.783 1.00 33.31 N ATOM 571 CA PHE A 38 -16.452 -7.281 22.448 1.00 53.25 C ATOM 572 C PHE A 38 -16.342 -8.300 21.318 1.00 61.41 C ATOM 573 O PHE A 38 -17.121 -9.249 21.245 1.00 72.12 O ATOM 574 CB PHE A 38 -17.414 -6.160 22.047 1.00 35.41 C ATOM 575 CG PHE A 38 -18.860 -6.506 22.256 1.00 23.40 C ATOM 576 CD1 PHE A 38 -19.577 -7.168 21.273 1.00 64.43 C ATOM 577 CD2 PHE A 38 -19.502 -6.170 23.437 1.00 13.51 C ATOM 578 CE1 PHE A 38 -20.908 -7.488 21.462 1.00 20.23 C ATOM 579 CE2 PHE A 38 -20.833 -6.489 23.633 1.00 23.43 C ATOM 580 CZ PHE A 38 -21.537 -7.147 22.644 1.00 34.05 C ATOM 0 H PHE A 38 -15.084 -5.714 22.715 1.00 33.31 H new ATOM 0 HA PHE A 38 -16.841 -7.787 23.332 1.00 53.25 H new ATOM 0 HB2 PHE A 38 -17.176 -5.265 22.622 1.00 35.41 H new ATOM 0 HB3 PHE A 38 -17.256 -5.915 20.997 1.00 35.41 H new ATOM 0 HD1 PHE A 38 -19.090 -7.437 20.348 1.00 64.43 H new ATOM 0 HD2 PHE A 38 -18.957 -5.653 24.213 1.00 13.51 H new ATOM 0 HE1 PHE A 38 -21.456 -8.004 20.687 1.00 20.23 H new ATOM 0 HE2 PHE A 38 -21.322 -6.224 24.559 1.00 23.43 H new ATOM 0 HZ PHE A 38 -22.577 -7.395 22.794 1.00 34.05 H new ATOM 590 N ASP A 39 -15.368 -8.095 20.438 1.00 22.51 N ATOM 591 CA ASP A 39 -15.153 -8.995 19.311 1.00 30.24 C ATOM 592 C ASP A 39 -14.534 -10.310 19.776 1.00 3.40 C ATOM 593 O ASP A 39 -14.580 -11.314 19.068 1.00 20.40 O ATOM 594 CB ASP A 39 -14.252 -8.334 18.268 1.00 73.22 C ATOM 595 CG ASP A 39 -14.775 -6.981 17.825 1.00 23.23 C ATOM 596 OD1 ASP A 39 -16.003 -6.852 17.639 1.00 51.04 O ATOM 597 OD2 ASP A 39 -13.956 -6.052 17.664 1.00 72.53 O1- ATOM 0 H ASP A 39 -14.715 -7.313 20.484 1.00 22.51 H new ATOM 0 HA ASP A 39 -16.122 -9.210 18.859 1.00 30.24 H new ATOM 0 HB2 ASP A 39 -13.250 -8.216 18.680 1.00 73.22 H new ATOM 0 HB3 ASP A 39 -14.165 -8.988 17.401 1.00 73.22 H new ATOM 602 N GLY A 40 -13.954 -10.295 20.973 1.00 73.03 N ATOM 603 CA GLY A 40 -13.333 -11.491 21.511 1.00 73.43 C ATOM 604 C GLY A 40 -11.876 -11.618 21.112 1.00 75.31 C ATOM 605 O GLY A 40 -11.347 -12.723 21.015 1.00 64.34 O ATOM 0 H GLY A 40 -13.903 -9.476 21.579 1.00 73.03 H new ATOM 0 HA2 GLY A 40 -13.409 -11.478 22.598 1.00 73.43 H new ATOM 0 HA3 GLY A 40 -13.879 -12.368 21.164 1.00 73.43 H new ATOM 609 N ASN A 41 -11.228 -10.481 20.880 1.00 12.43 N ATOM 610 CA ASN A 41 -9.823 -10.470 20.487 1.00 23.51 C ATOM 611 C ASN A 41 -9.010 -9.555 21.399 1.00 23.24 C ATOM 612 O ASN A 41 -9.568 -8.745 22.139 1.00 21.02 O ATOM 613 CB ASN A 41 -9.682 -10.015 19.033 1.00 52.24 C ATOM 614 CG ASN A 41 -10.345 -8.675 18.780 1.00 71.23 C ATOM 615 OD1 ASN A 41 -10.423 -7.830 19.672 1.00 52.35 O ATOM 616 ND2 ASN A 41 -10.827 -8.475 17.559 1.00 22.41 N ATOM 0 H ASN A 41 -11.652 -9.557 20.957 1.00 12.43 H new ATOM 0 HA ASN A 41 -9.437 -11.485 20.582 1.00 23.51 H new ATOM 0 HB2 ASN A 41 -8.625 -9.948 18.777 1.00 52.24 H new ATOM 0 HB3 ASN A 41 -10.122 -10.765 18.376 1.00 52.24 H new ATOM 0 HD21 ASN A 41 -11.284 -7.593 17.329 1.00 22.41 H new ATOM 0 HD22 ASN A 41 -10.740 -9.204 16.851 1.00 22.41 H new ATOM 623 N PHE A 42 -7.690 -9.690 21.338 1.00 71.21 N ATOM 624 CA PHE A 42 -6.800 -8.877 22.159 1.00 52.03 C ATOM 625 C PHE A 42 -5.436 -8.721 21.491 1.00 31.22 C ATOM 626 O PHE A 42 -5.115 -9.428 20.536 1.00 60.33 O ATOM 627 CB PHE A 42 -6.633 -9.504 23.544 1.00 2.54 C ATOM 628 CG PHE A 42 -6.167 -10.931 23.504 1.00 44.22 C ATOM 629 CD1 PHE A 42 -4.834 -11.244 23.713 1.00 24.02 C ATOM 630 CD2 PHE A 42 -7.062 -11.959 23.256 1.00 22.24 C ATOM 631 CE1 PHE A 42 -4.402 -12.556 23.677 1.00 64.14 C ATOM 632 CE2 PHE A 42 -6.636 -13.273 23.220 1.00 3.45 C ATOM 633 CZ PHE A 42 -5.303 -13.572 23.429 1.00 22.53 C ATOM 0 H PHE A 42 -7.213 -10.354 20.729 1.00 71.21 H new ATOM 0 HA PHE A 42 -7.248 -7.889 22.267 1.00 52.03 H new ATOM 0 HB2 PHE A 42 -5.919 -8.913 24.118 1.00 2.54 H new ATOM 0 HB3 PHE A 42 -7.585 -9.456 24.073 1.00 2.54 H new ATOM 0 HD1 PHE A 42 -4.124 -10.453 23.906 1.00 24.02 H new ATOM 0 HD2 PHE A 42 -8.104 -11.731 23.089 1.00 22.24 H new ATOM 0 HE1 PHE A 42 -3.360 -12.786 23.843 1.00 64.14 H new ATOM 0 HE2 PHE A 42 -7.344 -14.066 23.029 1.00 3.45 H new ATOM 0 HZ PHE A 42 -4.967 -14.598 23.398 1.00 22.53 H new ATOM 643 N THR A 43 -4.638 -7.788 22.001 1.00 70.14 N ATOM 644 CA THR A 43 -3.311 -7.537 21.455 1.00 1.25 C ATOM 645 C THR A 43 -2.320 -7.184 22.558 1.00 72.34 C ATOM 646 O THR A 43 -2.553 -6.266 23.346 1.00 32.41 O ATOM 647 CB THR A 43 -3.336 -6.396 20.419 1.00 55.40 C ATOM 648 OG1 THR A 43 -1.999 -6.014 20.079 1.00 61.44 O ATOM 649 CG2 THR A 43 -4.090 -5.191 20.961 1.00 0.43 C ATOM 0 H THR A 43 -4.888 -7.194 22.791 1.00 70.14 H new ATOM 0 HA THR A 43 -2.992 -8.457 20.965 1.00 1.25 H new ATOM 0 HB THR A 43 -3.849 -6.755 19.527 1.00 55.40 H new ATOM 0 HG1 THR A 43 -2.023 -5.290 19.419 1.00 61.44 H new ATOM 0 HG21 THR A 43 -4.095 -4.398 20.213 1.00 0.43 H new ATOM 0 HG22 THR A 43 -5.116 -5.478 21.193 1.00 0.43 H new ATOM 0 HG23 THR A 43 -3.600 -4.833 21.866 1.00 0.43 H new ATOM 657 N LEU A 44 -1.213 -7.916 22.610 1.00 30.33 N ATOM 658 CA LEU A 44 -0.185 -7.680 23.618 1.00 30.51 C ATOM 659 C LEU A 44 1.209 -7.784 23.008 1.00 15.23 C ATOM 660 O LEU A 44 1.518 -8.742 22.299 1.00 43.42 O ATOM 661 CB LEU A 44 -0.328 -8.681 24.765 1.00 2.24 C ATOM 662 CG LEU A 44 0.013 -8.157 26.160 1.00 41.34 C ATOM 663 CD1 LEU A 44 -0.152 -9.256 27.198 1.00 14.32 C ATOM 664 CD2 LEU A 44 1.430 -7.602 26.189 1.00 72.23 C ATOM 0 H LEU A 44 -1.004 -8.679 21.966 1.00 30.33 H new ATOM 0 HA LEU A 44 -0.317 -6.670 24.007 1.00 30.51 H new ATOM 0 HB2 LEU A 44 -1.355 -9.045 24.777 1.00 2.24 H new ATOM 0 HB3 LEU A 44 0.312 -9.538 24.554 1.00 2.24 H new ATOM 0 HG LEU A 44 -0.678 -7.349 26.403 1.00 41.34 H new ATOM 0 HD11 LEU A 44 0.095 -8.865 28.185 1.00 14.32 H new ATOM 0 HD12 LEU A 44 -1.184 -9.607 27.195 1.00 14.32 H new ATOM 0 HD13 LEU A 44 0.514 -10.085 26.959 1.00 14.32 H new ATOM 0 HD21 LEU A 44 1.656 -7.233 27.190 1.00 72.23 H new ATOM 0 HD22 LEU A 44 2.135 -8.390 25.925 1.00 72.23 H new ATOM 0 HD23 LEU A 44 1.515 -6.784 25.473 1.00 72.23 H new ATOM 676 N SER A 45 2.048 -6.792 23.289 1.00 73.42 N ATOM 677 CA SER A 45 3.410 -6.770 22.767 1.00 30.11 C ATOM 678 C SER A 45 4.398 -7.290 23.806 1.00 54.45 C ATOM 679 O SER A 45 4.549 -6.710 24.881 1.00 53.14 O ATOM 680 CB SER A 45 3.795 -5.351 22.346 1.00 12.24 C ATOM 681 OG SER A 45 5.022 -5.345 21.639 1.00 52.35 O ATOM 0 H SER A 45 1.809 -5.993 23.875 1.00 73.42 H new ATOM 0 HA SER A 45 3.449 -7.423 21.895 1.00 30.11 H new ATOM 0 HB2 SER A 45 3.009 -4.928 21.720 1.00 12.24 H new ATOM 0 HB3 SER A 45 3.877 -4.716 23.228 1.00 12.24 H new ATOM 0 HG SER A 45 5.245 -4.427 21.379 1.00 52.35 H new ATOM 687 N VAL A 46 5.070 -8.389 23.477 1.00 11.02 N ATOM 688 CA VAL A 46 6.046 -8.988 24.381 1.00 13.10 C ATOM 689 C VAL A 46 7.448 -8.938 23.786 1.00 41.33 C ATOM 690 O VAL A 46 7.632 -8.859 22.572 1.00 34.03 O ATOM 691 CB VAL A 46 5.688 -10.452 24.702 1.00 71.43 C ATOM 692 CG1 VAL A 46 4.569 -10.514 25.730 1.00 64.43 C ATOM 693 CG2 VAL A 46 5.301 -11.196 23.434 1.00 21.52 C ATOM 0 H VAL A 46 4.957 -8.883 22.592 1.00 11.02 H new ATOM 0 HA VAL A 46 6.024 -8.406 25.302 1.00 13.10 H new ATOM 0 HB VAL A 46 6.566 -10.938 25.127 1.00 71.43 H new ATOM 0 HG11 VAL A 46 4.329 -11.555 25.945 1.00 64.43 H new ATOM 0 HG12 VAL A 46 4.889 -10.019 26.647 1.00 64.43 H new ATOM 0 HG13 VAL A 46 3.685 -10.012 25.336 1.00 64.43 H new ATOM 0 HG21 VAL A 46 5.051 -12.228 23.680 1.00 21.52 H new ATOM 0 HG22 VAL A 46 4.437 -10.712 22.978 1.00 21.52 H new ATOM 0 HG23 VAL A 46 6.137 -11.181 22.734 1.00 21.52 H new ATOM 703 N PRO A 47 8.463 -8.984 24.661 1.00 12.13 N ATOM 704 CA PRO A 47 9.869 -8.947 24.246 1.00 2.21 C ATOM 705 C PRO A 47 10.297 -10.224 23.531 1.00 41.24 C ATOM 706 O PRO A 47 10.906 -10.176 22.462 1.00 33.23 O ATOM 707 CB PRO A 47 10.626 -8.795 25.567 1.00 32.44 C ATOM 708 CG PRO A 47 9.715 -9.375 26.595 1.00 60.01 C ATOM 709 CD PRO A 47 8.318 -9.079 26.124 1.00 52.01 C ATOM 0 HA PRO A 47 10.062 -8.145 23.534 1.00 2.21 H new ATOM 0 HB2 PRO A 47 11.579 -9.323 25.540 1.00 32.44 H new ATOM 0 HB3 PRO A 47 10.847 -7.749 25.779 1.00 32.44 H new ATOM 0 HG2 PRO A 47 9.874 -10.449 26.696 1.00 60.01 H new ATOM 0 HG3 PRO A 47 9.899 -8.932 27.574 1.00 60.01 H new ATOM 0 HD2 PRO A 47 7.623 -9.869 26.408 1.00 52.01 H new ATOM 0 HD3 PRO A 47 7.938 -8.151 26.551 1.00 52.01 H new ATOM 717 N VAL A 48 9.974 -11.368 24.128 1.00 62.33 N ATOM 718 CA VAL A 48 10.323 -12.658 23.547 1.00 40.41 C ATOM 719 C VAL A 48 9.076 -13.421 23.113 1.00 23.10 C ATOM 720 O VAL A 48 7.958 -12.920 23.228 1.00 71.24 O ATOM 721 CB VAL A 48 11.121 -13.524 24.541 1.00 11.01 C ATOM 722 CG1 VAL A 48 12.462 -12.877 24.855 1.00 61.40 C ATOM 723 CG2 VAL A 48 10.317 -13.750 25.813 1.00 30.33 C ATOM 0 H VAL A 48 9.471 -11.426 25.014 1.00 62.33 H new ATOM 0 HA VAL A 48 10.943 -12.454 22.674 1.00 40.41 H new ATOM 0 HB VAL A 48 11.312 -14.494 24.082 1.00 11.01 H new ATOM 0 HG11 VAL A 48 13.012 -13.502 25.558 1.00 61.40 H new ATOM 0 HG12 VAL A 48 13.039 -12.771 23.936 1.00 61.40 H new ATOM 0 HG13 VAL A 48 12.297 -11.894 25.296 1.00 61.40 H new ATOM 0 HG21 VAL A 48 10.895 -14.363 26.504 1.00 30.33 H new ATOM 0 HG22 VAL A 48 10.095 -12.790 26.278 1.00 30.33 H new ATOM 0 HG23 VAL A 48 9.385 -14.259 25.569 1.00 30.33 H new ATOM 733 N ASN A 49 9.277 -14.637 22.615 1.00 53.04 N ATOM 734 CA ASN A 49 8.168 -15.471 22.162 1.00 3.42 C ATOM 735 C ASN A 49 7.810 -16.516 23.214 1.00 15.14 C ATOM 736 O ASN A 49 7.508 -17.663 22.886 1.00 41.55 O ATOM 737 CB ASN A 49 8.525 -16.158 20.843 1.00 63.41 C ATOM 738 CG ASN A 49 8.504 -15.200 19.668 1.00 20.23 C ATOM 739 OD1 ASN A 49 8.044 -14.064 19.786 1.00 0.21 O ATOM 740 ND2 ASN A 49 9.003 -15.655 18.524 1.00 2.13 N ATOM 0 H ASN A 49 10.197 -15.067 22.515 1.00 53.04 H new ATOM 0 HA ASN A 49 7.302 -14.828 22.005 1.00 3.42 H new ATOM 0 HB2 ASN A 49 9.516 -16.605 20.926 1.00 63.41 H new ATOM 0 HB3 ASN A 49 7.823 -16.971 20.658 1.00 63.41 H new ATOM 0 HD21 ASN A 49 9.015 -15.056 17.699 1.00 2.13 H new ATOM 0 HD22 ASN A 49 9.374 -16.604 18.471 1.00 2.13 H new ATOM 747 N SER A 50 7.847 -16.112 24.480 1.00 44.25 N ATOM 748 CA SER A 50 7.530 -17.014 25.580 1.00 32.14 C ATOM 749 C SER A 50 6.076 -17.470 25.507 1.00 64.13 C ATOM 750 O SER A 50 5.387 -17.234 24.513 1.00 43.22 O ATOM 751 CB SER A 50 7.795 -16.329 26.922 1.00 24.20 C ATOM 752 OG SER A 50 8.088 -17.281 27.931 1.00 2.44 O ATOM 0 H SER A 50 8.094 -15.165 24.769 1.00 44.25 H new ATOM 0 HA SER A 50 8.172 -17.891 25.495 1.00 32.14 H new ATOM 0 HB2 SER A 50 8.628 -15.633 26.821 1.00 24.20 H new ATOM 0 HB3 SER A 50 6.924 -15.742 27.213 1.00 24.20 H new ATOM 0 HG SER A 50 7.390 -17.254 28.619 1.00 2.44 H new ATOM 758 N THR A 51 5.614 -18.126 26.567 1.00 5.13 N ATOM 759 CA THR A 51 4.242 -18.616 26.624 1.00 65.34 C ATOM 760 C THR A 51 3.300 -17.550 27.172 1.00 50.11 C ATOM 761 O THR A 51 3.735 -16.591 27.810 1.00 60.11 O ATOM 762 CB THR A 51 4.134 -19.880 27.499 1.00 55.53 C ATOM 763 OG1 THR A 51 5.424 -20.235 28.009 1.00 72.33 O ATOM 764 CG2 THR A 51 3.561 -21.041 26.702 1.00 1.44 C ATOM 0 H THR A 51 6.170 -18.330 27.398 1.00 5.13 H new ATOM 0 HA THR A 51 3.951 -18.863 25.603 1.00 65.34 H new ATOM 0 HB THR A 51 3.463 -19.664 28.330 1.00 55.53 H new ATOM 0 HG1 THR A 51 5.346 -21.038 28.565 1.00 72.33 H new ATOM 0 HG21 THR A 51 3.494 -21.922 27.340 1.00 1.44 H new ATOM 0 HG22 THR A 51 2.567 -20.778 26.340 1.00 1.44 H new ATOM 0 HG23 THR A 51 4.211 -21.256 25.854 1.00 1.44 H new ATOM 772 N LEU A 52 2.008 -17.726 26.920 1.00 33.00 N ATOM 773 CA LEU A 52 1.002 -16.778 27.389 1.00 60.43 C ATOM 774 C LEU A 52 -0.133 -17.500 28.109 1.00 61.44 C ATOM 775 O LEU A 52 -0.722 -18.440 27.575 1.00 62.04 O ATOM 776 CB LEU A 52 0.445 -15.972 26.214 1.00 25.32 C ATOM 777 CG LEU A 52 1.467 -15.497 25.181 1.00 24.22 C ATOM 778 CD1 LEU A 52 0.791 -14.655 24.109 1.00 0.43 C ATOM 779 CD2 LEU A 52 2.580 -14.709 25.857 1.00 44.14 C ATOM 0 H LEU A 52 1.632 -18.515 26.394 1.00 33.00 H new ATOM 0 HA LEU A 52 1.480 -16.098 28.094 1.00 60.43 H new ATOM 0 HB2 LEU A 52 -0.302 -16.580 25.704 1.00 25.32 H new ATOM 0 HB3 LEU A 52 -0.073 -15.099 26.611 1.00 25.32 H new ATOM 0 HG LEU A 52 1.906 -16.372 24.703 1.00 24.22 H new ATOM 0 HD11 LEU A 52 1.534 -14.326 23.383 1.00 0.43 H new ATOM 0 HD12 LEU A 52 0.030 -15.250 23.605 1.00 0.43 H new ATOM 0 HD13 LEU A 52 0.324 -13.785 24.570 1.00 0.43 H new ATOM 0 HD21 LEU A 52 3.299 -14.378 25.107 1.00 44.14 H new ATOM 0 HD22 LEU A 52 2.156 -13.841 26.361 1.00 44.14 H new ATOM 0 HD23 LEU A 52 3.083 -15.343 26.587 1.00 44.14 H new ATOM 791 N LYS A 53 -0.436 -17.054 29.323 1.00 74.15 N ATOM 792 CA LYS A 53 -1.502 -17.654 30.115 1.00 74.21 C ATOM 793 C LYS A 53 -2.759 -16.791 30.079 1.00 31.10 C ATOM 794 O LYS A 53 -2.728 -15.617 30.453 1.00 13.00 O ATOM 795 CB LYS A 53 -1.043 -17.845 31.563 1.00 14.13 C ATOM 796 CG LYS A 53 -2.080 -18.517 32.446 1.00 13.04 C ATOM 797 CD LYS A 53 -1.497 -18.908 33.794 1.00 71.31 C ATOM 798 CE LYS A 53 -2.527 -18.781 34.905 1.00 44.24 C ATOM 799 NZ LYS A 53 -2.176 -19.620 36.085 1.00 24.22 N1+ ATOM 0 H LYS A 53 0.043 -16.278 29.780 1.00 74.15 H new ATOM 0 HA LYS A 53 -1.738 -18.627 29.683 1.00 74.21 H new ATOM 0 HB2 LYS A 53 -0.130 -18.441 31.570 1.00 14.13 H new ATOM 0 HB3 LYS A 53 -0.792 -16.873 31.987 1.00 14.13 H new ATOM 0 HG2 LYS A 53 -2.924 -17.843 32.595 1.00 13.04 H new ATOM 0 HG3 LYS A 53 -2.466 -19.404 31.944 1.00 13.04 H new ATOM 0 HD2 LYS A 53 -1.133 -19.934 33.750 1.00 71.31 H new ATOM 0 HD3 LYS A 53 -0.639 -18.274 34.018 1.00 71.31 H new ATOM 0 HE2 LYS A 53 -2.604 -17.738 35.211 1.00 44.24 H new ATOM 0 HE3 LYS A 53 -3.506 -19.076 34.528 1.00 44.24 H new ATOM 0 HZ1 LYS A 53 -2.902 -19.506 36.820 1.00 24.22 H new ATOM 0 HZ2 LYS A 53 -2.127 -20.619 35.799 1.00 24.22 H new ATOM 0 HZ3 LYS A 53 -1.253 -19.322 36.461 1.00 24.22 H new ATOM 813 N ILE A 54 -3.862 -17.379 29.629 1.00 64.31 N ATOM 814 CA ILE A 54 -5.129 -16.663 29.547 1.00 34.23 C ATOM 815 C ILE A 54 -6.219 -17.385 30.332 1.00 24.45 C ATOM 816 O ILE A 54 -6.562 -18.530 30.033 1.00 52.53 O ATOM 817 CB ILE A 54 -5.588 -16.497 28.087 1.00 12.32 C ATOM 818 CG1 ILE A 54 -4.484 -15.842 27.253 1.00 50.32 C ATOM 819 CG2 ILE A 54 -6.866 -15.674 28.023 1.00 55.33 C ATOM 820 CD1 ILE A 54 -4.815 -15.746 25.781 1.00 73.40 C ATOM 0 H ILE A 54 -3.904 -18.349 29.316 1.00 64.31 H new ATOM 0 HA ILE A 54 -4.964 -15.677 29.981 1.00 34.23 H new ATOM 0 HB ILE A 54 -5.794 -17.484 27.673 1.00 12.32 H new ATOM 0 HG12 ILE A 54 -4.293 -14.841 27.640 1.00 50.32 H new ATOM 0 HG13 ILE A 54 -3.563 -16.412 27.373 1.00 50.32 H new ATOM 0 HG21 ILE A 54 -7.177 -15.566 26.984 1.00 55.33 H new ATOM 0 HG22 ILE A 54 -7.652 -16.177 28.587 1.00 55.33 H new ATOM 0 HG23 ILE A 54 -6.686 -14.688 28.452 1.00 55.33 H new ATOM 0 HD11 ILE A 54 -3.988 -15.272 25.252 1.00 73.40 H new ATOM 0 HD12 ILE A 54 -4.977 -16.746 25.379 1.00 73.40 H new ATOM 0 HD13 ILE A 54 -5.719 -15.151 25.649 1.00 73.40 H new ATOM 832 N THR A 55 -6.764 -16.708 31.338 1.00 53.10 N ATOM 833 CA THR A 55 -7.817 -17.283 32.166 1.00 62.11 C ATOM 834 C THR A 55 -9.136 -16.545 31.970 1.00 50.41 C ATOM 835 O THR A 55 -9.153 -15.336 31.736 1.00 11.34 O ATOM 836 CB THR A 55 -7.439 -17.249 33.659 1.00 60.51 C ATOM 837 OG1 THR A 55 -7.349 -15.894 34.110 1.00 12.50 O ATOM 838 CG2 THR A 55 -6.115 -17.958 33.899 1.00 13.32 C ATOM 0 H THR A 55 -6.493 -15.760 31.599 1.00 53.10 H new ATOM 0 HA THR A 55 -7.935 -18.320 31.852 1.00 62.11 H new ATOM 0 HB THR A 55 -8.217 -17.767 34.220 1.00 60.51 H new ATOM 0 HG1 THR A 55 -7.110 -15.881 35.060 1.00 12.50 H new ATOM 0 HG21 THR A 55 -5.869 -17.921 34.960 1.00 13.32 H new ATOM 0 HG22 THR A 55 -6.196 -18.998 33.582 1.00 13.32 H new ATOM 0 HG23 THR A 55 -5.329 -17.464 33.327 1.00 13.32 H new ATOM 846 N TYR A 56 -10.239 -17.278 32.069 1.00 11.42 N ATOM 847 CA TYR A 56 -11.563 -16.692 31.900 1.00 11.02 C ATOM 848 C TYR A 56 -12.454 -17.007 33.097 1.00 62.40 C ATOM 849 O TYR A 56 -12.244 -17.997 33.800 1.00 41.44 O ATOM 850 CB TYR A 56 -12.214 -17.211 30.616 1.00 44.12 C ATOM 851 CG TYR A 56 -11.313 -17.128 29.405 1.00 65.43 C ATOM 852 CD1 TYR A 56 -10.331 -18.084 29.178 1.00 22.43 C ATOM 853 CD2 TYR A 56 -11.446 -16.094 28.486 1.00 4.15 C ATOM 854 CE1 TYR A 56 -9.505 -18.011 28.073 1.00 32.34 C ATOM 855 CE2 TYR A 56 -10.626 -16.015 27.377 1.00 41.03 C ATOM 856 CZ TYR A 56 -9.656 -16.975 27.175 1.00 31.42 C ATOM 857 OH TYR A 56 -8.837 -16.900 26.073 1.00 41.25 O ATOM 0 H TYR A 56 -10.243 -18.279 32.265 1.00 11.42 H new ATOM 0 HA TYR A 56 -11.447 -15.610 31.830 1.00 11.02 H new ATOM 0 HB2 TYR A 56 -12.515 -18.248 30.764 1.00 44.12 H new ATOM 0 HB3 TYR A 56 -13.122 -16.640 30.423 1.00 44.12 H new ATOM 0 HD1 TYR A 56 -10.211 -18.898 29.877 1.00 22.43 H new ATOM 0 HD2 TYR A 56 -12.203 -15.340 28.641 1.00 4.15 H new ATOM 0 HE1 TYR A 56 -8.745 -18.761 27.913 1.00 32.34 H new ATOM 0 HE2 TYR A 56 -10.744 -15.206 26.672 1.00 41.03 H new ATOM 0 HH TYR A 56 -8.672 -17.802 25.726 1.00 41.25 H new ATOM 867 N ILE A 57 -13.451 -16.158 33.325 1.00 62.21 N ATOM 868 CA ILE A 57 -14.375 -16.345 34.437 1.00 35.22 C ATOM 869 C ILE A 57 -15.594 -17.156 34.007 1.00 41.02 C ATOM 870 O ILE A 57 -16.455 -16.664 33.280 1.00 74.23 O ATOM 871 CB ILE A 57 -14.847 -14.996 35.010 1.00 72.44 C ATOM 872 CG1 ILE A 57 -15.905 -15.219 36.092 1.00 51.25 C ATOM 873 CG2 ILE A 57 -15.393 -14.111 33.901 1.00 21.35 C ATOM 874 CD1 ILE A 57 -16.362 -13.943 36.763 1.00 34.03 C ATOM 0 H ILE A 57 -13.639 -15.334 32.754 1.00 62.21 H new ATOM 0 HA ILE A 57 -13.833 -16.889 35.210 1.00 35.22 H new ATOM 0 HB ILE A 57 -13.993 -14.492 35.462 1.00 72.44 H new ATOM 0 HG12 ILE A 57 -16.768 -15.715 35.648 1.00 51.25 H new ATOM 0 HG13 ILE A 57 -15.503 -15.894 36.848 1.00 51.25 H new ATOM 0 HG21 ILE A 57 -15.722 -13.161 34.322 1.00 21.35 H new ATOM 0 HG22 ILE A 57 -14.612 -13.929 33.163 1.00 21.35 H new ATOM 0 HG23 ILE A 57 -16.237 -14.607 33.422 1.00 21.35 H new ATOM 0 HD11 ILE A 57 -17.112 -14.178 37.518 1.00 34.03 H new ATOM 0 HD12 ILE A 57 -15.510 -13.456 37.237 1.00 34.03 H new ATOM 0 HD13 ILE A 57 -16.794 -13.275 36.018 1.00 34.03 H new ATOM 886 N GLY A 58 -15.659 -18.403 34.465 1.00 41.22 N ATOM 887 CA GLY A 58 -16.777 -19.262 34.119 1.00 34.45 C ATOM 888 C GLY A 58 -16.333 -20.556 33.467 1.00 45.03 C ATOM 889 O GLY A 58 -16.745 -21.640 33.881 1.00 23.42 O ATOM 0 H GLY A 58 -14.958 -18.833 35.069 1.00 41.22 H new ATOM 0 HA2 GLY A 58 -17.349 -19.489 35.019 1.00 34.45 H new ATOM 0 HA3 GLY A 58 -17.445 -18.729 33.443 1.00 34.45 H new ATOM 893 N TYR A 59 -15.494 -20.444 32.444 1.00 61.23 N ATOM 894 CA TYR A 59 -14.998 -21.613 31.730 1.00 30.13 C ATOM 895 C TYR A 59 -13.543 -21.896 32.091 1.00 1.25 C ATOM 896 O TYR A 59 -12.887 -21.090 32.751 1.00 60.34 O ATOM 897 CB TYR A 59 -15.129 -21.410 30.219 1.00 42.25 C ATOM 898 CG TYR A 59 -16.559 -21.406 29.730 1.00 43.24 C ATOM 899 CD1 TYR A 59 -17.020 -22.388 28.863 1.00 2.34 C ATOM 900 CD2 TYR A 59 -17.451 -20.420 30.136 1.00 22.52 C ATOM 901 CE1 TYR A 59 -18.327 -22.388 28.413 1.00 33.50 C ATOM 902 CE2 TYR A 59 -18.759 -20.413 29.694 1.00 61.12 C ATOM 903 CZ TYR A 59 -19.193 -21.400 28.831 1.00 4.31 C ATOM 904 OH TYR A 59 -20.495 -21.396 28.387 1.00 24.41 O ATOM 0 H TYR A 59 -15.143 -19.554 32.090 1.00 61.23 H new ATOM 0 HA TYR A 59 -15.601 -22.470 32.028 1.00 30.13 H new ATOM 0 HB2 TYR A 59 -14.658 -20.466 29.946 1.00 42.25 H new ATOM 0 HB3 TYR A 59 -14.581 -22.200 29.706 1.00 42.25 H new ATOM 0 HD1 TYR A 59 -16.346 -23.165 28.535 1.00 2.34 H new ATOM 0 HD2 TYR A 59 -17.115 -19.645 30.809 1.00 22.52 H new ATOM 0 HE1 TYR A 59 -18.668 -23.158 27.737 1.00 33.50 H new ATOM 0 HE2 TYR A 59 -19.439 -19.640 30.021 1.00 61.12 H new ATOM 0 HH TYR A 59 -20.971 -20.633 28.777 1.00 24.41 H new ATOM 914 N LYS A 60 -13.044 -23.048 31.654 1.00 52.23 N ATOM 915 CA LYS A 60 -11.666 -23.439 31.928 1.00 72.32 C ATOM 916 C LYS A 60 -10.686 -22.489 31.248 1.00 51.35 C ATOM 917 O LYS A 60 -10.960 -21.931 30.185 1.00 73.04 O ATOM 918 CB LYS A 60 -11.417 -24.872 31.454 1.00 13.13 C ATOM 919 CG LYS A 60 -12.010 -25.928 32.371 1.00 75.30 C ATOM 920 CD LYS A 60 -11.032 -26.332 33.461 1.00 4.44 C ATOM 921 CE LYS A 60 -11.237 -27.779 33.884 1.00 2.10 C ATOM 922 NZ LYS A 60 -12.214 -27.897 35.002 1.00 3.41 N1+ ATOM 0 H LYS A 60 -13.574 -23.727 31.108 1.00 52.23 H new ATOM 0 HA LYS A 60 -11.507 -23.387 33.005 1.00 72.32 H new ATOM 0 HB2 LYS A 60 -11.836 -24.993 30.455 1.00 13.13 H new ATOM 0 HB3 LYS A 60 -10.343 -25.037 31.371 1.00 13.13 H new ATOM 0 HG2 LYS A 60 -12.924 -25.545 32.825 1.00 75.30 H new ATOM 0 HG3 LYS A 60 -12.287 -26.805 31.786 1.00 75.30 H new ATOM 0 HD2 LYS A 60 -10.011 -26.197 33.104 1.00 4.44 H new ATOM 0 HD3 LYS A 60 -11.157 -25.678 34.324 1.00 4.44 H new ATOM 0 HE2 LYS A 60 -11.589 -28.360 33.032 1.00 2.10 H new ATOM 0 HE3 LYS A 60 -10.282 -28.207 34.189 1.00 2.10 H new ATOM 0 HZ1 LYS A 60 -12.250 -28.884 35.329 1.00 3.41 H new ATOM 0 HZ2 LYS A 60 -11.919 -27.283 35.787 1.00 3.41 H new ATOM 0 HZ3 LYS A 60 -13.156 -27.607 34.671 1.00 3.41 H new ATOM 936 N PRO A 61 -9.513 -22.301 31.871 1.00 20.42 N ATOM 937 CA PRO A 61 -8.467 -21.421 31.342 1.00 52.34 C ATOM 938 C PRO A 61 -7.818 -21.983 30.083 1.00 43.11 C ATOM 939 O PRO A 61 -8.190 -23.056 29.606 1.00 71.32 O ATOM 940 CB PRO A 61 -7.449 -21.354 32.483 1.00 12.55 C ATOM 941 CG PRO A 61 -7.652 -22.616 33.247 1.00 64.21 C ATOM 942 CD PRO A 61 -9.117 -22.933 33.141 1.00 62.33 C ATOM 0 HA PRO A 61 -8.863 -20.449 31.048 1.00 52.34 H new ATOM 0 HB2 PRO A 61 -6.431 -21.282 32.101 1.00 12.55 H new ATOM 0 HB3 PRO A 61 -7.616 -20.479 33.112 1.00 12.55 H new ATOM 0 HG2 PRO A 61 -7.047 -23.424 32.834 1.00 64.21 H new ATOM 0 HG3 PRO A 61 -7.353 -22.494 34.288 1.00 64.21 H new ATOM 0 HD2 PRO A 61 -9.295 -24.008 33.127 1.00 62.33 H new ATOM 0 HD3 PRO A 61 -9.678 -22.528 33.983 1.00 62.33 H new ATOM 950 N VAL A 62 -6.845 -21.254 29.547 1.00 41.12 N ATOM 951 CA VAL A 62 -6.143 -21.681 28.343 1.00 22.22 C ATOM 952 C VAL A 62 -4.721 -21.131 28.310 1.00 13.54 C ATOM 953 O VAL A 62 -4.449 -20.050 28.834 1.00 74.11 O ATOM 954 CB VAL A 62 -6.886 -21.231 27.070 1.00 23.31 C ATOM 955 CG1 VAL A 62 -6.641 -19.753 26.804 1.00 24.54 C ATOM 956 CG2 VAL A 62 -6.458 -22.074 25.878 1.00 33.21 C ATOM 0 H VAL A 62 -6.525 -20.364 29.928 1.00 41.12 H new ATOM 0 HA VAL A 62 -6.107 -22.770 28.368 1.00 22.22 H new ATOM 0 HB VAL A 62 -7.955 -21.376 27.223 1.00 23.31 H new ATOM 0 HG11 VAL A 62 -7.173 -19.453 25.901 1.00 24.54 H new ATOM 0 HG12 VAL A 62 -7.001 -19.167 27.649 1.00 24.54 H new ATOM 0 HG13 VAL A 62 -5.573 -19.579 26.670 1.00 24.54 H new ATOM 0 HG21 VAL A 62 -6.992 -21.743 24.988 1.00 33.21 H new ATOM 0 HG22 VAL A 62 -5.385 -21.963 25.720 1.00 33.21 H new ATOM 0 HG23 VAL A 62 -6.689 -23.121 26.071 1.00 33.21 H new ATOM 966 N THR A 63 -3.816 -21.881 27.690 1.00 11.33 N ATOM 967 CA THR A 63 -2.421 -21.469 27.590 1.00 11.40 C ATOM 968 C THR A 63 -1.905 -21.619 26.164 1.00 54.21 C ATOM 969 O THR A 63 -1.988 -22.696 25.573 1.00 35.44 O ATOM 970 CB THR A 63 -1.524 -22.287 28.537 1.00 13.53 C ATOM 971 OG1 THR A 63 -2.331 -23.106 29.391 1.00 22.11 O ATOM 972 CG2 THR A 63 -0.651 -21.372 29.381 1.00 60.11 C ATOM 0 H THR A 63 -4.024 -22.777 27.249 1.00 11.33 H new ATOM 0 HA THR A 63 -2.380 -20.419 27.880 1.00 11.40 H new ATOM 0 HB THR A 63 -0.878 -22.921 27.931 1.00 13.53 H new ATOM 0 HG1 THR A 63 -1.753 -23.624 29.989 1.00 22.11 H new ATOM 0 HG21 THR A 63 -0.026 -21.973 30.042 1.00 60.11 H new ATOM 0 HG22 THR A 63 -0.017 -20.771 28.729 1.00 60.11 H new ATOM 0 HG23 THR A 63 -1.283 -20.715 29.978 1.00 60.11 H new ATOM 980 N VAL A 64 -1.373 -20.532 25.614 1.00 54.51 N ATOM 981 CA VAL A 64 -0.840 -20.544 24.257 1.00 53.21 C ATOM 982 C VAL A 64 0.342 -19.592 24.122 1.00 13.32 C ATOM 983 O VAL A 64 0.446 -18.605 24.850 1.00 10.04 O ATOM 984 CB VAL A 64 -1.919 -20.155 23.228 1.00 74.21 C ATOM 985 CG1 VAL A 64 -2.987 -21.234 23.139 1.00 21.00 C ATOM 986 CG2 VAL A 64 -2.536 -18.811 23.587 1.00 14.45 C ATOM 0 H VAL A 64 -1.300 -19.632 26.088 1.00 54.51 H new ATOM 0 HA VAL A 64 -0.506 -21.562 24.057 1.00 53.21 H new ATOM 0 HB VAL A 64 -1.447 -20.064 22.250 1.00 74.21 H new ATOM 0 HG11 VAL A 64 -3.740 -20.941 22.407 1.00 21.00 H new ATOM 0 HG12 VAL A 64 -2.529 -22.174 22.832 1.00 21.00 H new ATOM 0 HG13 VAL A 64 -3.458 -21.361 24.114 1.00 21.00 H new ATOM 0 HG21 VAL A 64 -3.296 -18.551 22.850 1.00 14.45 H new ATOM 0 HG22 VAL A 64 -2.994 -18.873 24.574 1.00 14.45 H new ATOM 0 HG23 VAL A 64 -1.761 -18.045 23.594 1.00 14.45 H new ATOM 996 N LYS A 65 1.234 -19.893 23.183 1.00 23.50 N ATOM 997 CA LYS A 65 2.410 -19.064 22.949 1.00 33.44 C ATOM 998 C LYS A 65 2.063 -17.863 22.074 1.00 51.13 C ATOM 999 O LYS A 65 1.123 -17.911 21.282 1.00 14.12 O ATOM 1000 CB LYS A 65 3.517 -19.888 22.288 1.00 53.40 C ATOM 1001 CG LYS A 65 3.722 -21.253 22.924 1.00 44.43 C ATOM 1002 CD LYS A 65 5.182 -21.671 22.888 1.00 43.14 C ATOM 1003 CE LYS A 65 5.328 -23.183 22.828 1.00 1.42 C ATOM 1004 NZ LYS A 65 5.468 -23.782 24.184 1.00 70.32 N1+ ATOM 0 H LYS A 65 1.164 -20.706 22.571 1.00 23.50 H new ATOM 0 HA LYS A 65 2.764 -18.699 23.913 1.00 33.44 H new ATOM 0 HB2 LYS A 65 3.279 -20.020 21.233 1.00 53.40 H new ATOM 0 HB3 LYS A 65 4.452 -19.330 22.336 1.00 53.40 H new ATOM 0 HG2 LYS A 65 3.375 -21.230 23.957 1.00 44.43 H new ATOM 0 HG3 LYS A 65 3.117 -21.994 22.401 1.00 44.43 H new ATOM 0 HD2 LYS A 65 5.668 -21.223 22.022 1.00 43.14 H new ATOM 0 HD3 LYS A 65 5.692 -21.290 23.773 1.00 43.14 H new ATOM 0 HE2 LYS A 65 4.459 -23.612 22.330 1.00 1.42 H new ATOM 0 HE3 LYS A 65 6.200 -23.440 22.226 1.00 1.42 H new ATOM 0 HZ1 LYS A 65 5.565 -24.814 24.099 1.00 70.32 H new ATOM 0 HZ2 LYS A 65 6.312 -23.392 24.650 1.00 70.32 H new ATOM 0 HZ3 LYS A 65 4.625 -23.559 24.751 1.00 70.32 H new ATOM 1018 N ALA A 66 2.831 -16.789 22.221 1.00 25.33 N ATOM 1019 CA ALA A 66 2.607 -15.578 21.442 1.00 72.41 C ATOM 1020 C ALA A 66 2.623 -15.877 19.947 1.00 62.14 C ATOM 1021 O ALA A 66 3.681 -16.096 19.359 1.00 13.22 O ATOM 1022 CB ALA A 66 3.656 -14.529 21.783 1.00 71.52 C ATOM 0 H ALA A 66 3.614 -16.733 22.872 1.00 25.33 H new ATOM 0 HA ALA A 66 1.622 -15.188 21.698 1.00 72.41 H new ATOM 0 HB1 ALA A 66 3.476 -13.630 21.194 1.00 71.52 H new ATOM 0 HB2 ALA A 66 3.596 -14.286 22.844 1.00 71.52 H new ATOM 0 HB3 ALA A 66 4.648 -14.919 21.556 1.00 71.52 H new ATOM 1028 N ALA A 67 1.442 -15.884 19.337 1.00 60.43 N ATOM 1029 CA ALA A 67 1.320 -16.154 17.910 1.00 33.34 C ATOM 1030 C ALA A 67 0.433 -15.117 17.228 1.00 63.13 C ATOM 1031 O ALA A 67 -0.442 -14.525 17.858 1.00 55.04 O ATOM 1032 CB ALA A 67 0.768 -17.554 17.684 1.00 32.31 C ATOM 0 H ALA A 67 0.556 -15.706 19.809 1.00 60.43 H new ATOM 0 HA ALA A 67 2.314 -16.091 17.467 1.00 33.34 H new ATOM 0 HB1 ALA A 67 0.682 -17.743 16.614 1.00 32.31 H new ATOM 0 HB2 ALA A 67 1.441 -18.287 18.129 1.00 32.31 H new ATOM 0 HB3 ALA A 67 -0.215 -17.637 18.147 1.00 32.31 H new ATOM 1038 N ALA A 68 0.667 -14.903 15.938 1.00 60.23 N ATOM 1039 CA ALA A 68 -0.111 -13.938 15.170 1.00 73.13 C ATOM 1040 C ALA A 68 -1.602 -14.250 15.249 1.00 2.42 C ATOM 1041 O ALA A 68 -2.412 -13.378 15.564 1.00 53.41 O ATOM 1042 CB ALA A 68 0.350 -13.921 13.721 1.00 13.31 C ATOM 0 H ALA A 68 1.389 -15.385 15.402 1.00 60.23 H new ATOM 0 HA ALA A 68 0.052 -12.951 15.602 1.00 73.13 H new ATOM 0 HB1 ALA A 68 -0.240 -13.196 13.160 1.00 13.31 H new ATOM 0 HB2 ALA A 68 1.403 -13.643 13.677 1.00 13.31 H new ATOM 0 HB3 ALA A 68 0.218 -14.911 13.285 1.00 13.31 H new ATOM 1048 N ILE A 69 -1.957 -15.497 14.958 1.00 72.31 N ATOM 1049 CA ILE A 69 -3.350 -15.922 14.997 1.00 43.13 C ATOM 1050 C ILE A 69 -3.554 -17.052 16.001 1.00 23.51 C ATOM 1051 O ILE A 69 -3.019 -18.148 15.835 1.00 14.30 O ATOM 1052 CB ILE A 69 -3.834 -16.389 13.612 1.00 41.22 C ATOM 1053 CG1 ILE A 69 -3.579 -15.303 12.564 1.00 11.02 C ATOM 1054 CG2 ILE A 69 -5.312 -16.749 13.659 1.00 3.10 C ATOM 1055 CD1 ILE A 69 -3.832 -15.761 11.145 1.00 23.11 C ATOM 0 H ILE A 69 -1.299 -16.230 14.693 1.00 72.31 H new ATOM 0 HA ILE A 69 -3.935 -15.056 15.306 1.00 43.13 H new ATOM 0 HB ILE A 69 -3.272 -17.279 13.330 1.00 41.22 H new ATOM 0 HG12 ILE A 69 -4.216 -14.445 12.779 1.00 11.02 H new ATOM 0 HG13 ILE A 69 -2.547 -14.963 12.649 1.00 11.02 H new ATOM 0 HG21 ILE A 69 -5.638 -17.077 12.672 1.00 3.10 H new ATOM 0 HG22 ILE A 69 -5.468 -17.553 14.378 1.00 3.10 H new ATOM 0 HG23 ILE A 69 -5.890 -15.875 13.960 1.00 3.10 H new ATOM 0 HD11 ILE A 69 -3.631 -14.940 10.456 1.00 23.11 H new ATOM 0 HD12 ILE A 69 -3.176 -16.600 10.911 1.00 23.11 H new ATOM 0 HD13 ILE A 69 -4.871 -16.074 11.043 1.00 23.11 H new ATOM 1067 N VAL A 70 -4.330 -16.778 17.043 1.00 42.53 N ATOM 1068 CA VAL A 70 -4.608 -17.771 18.074 1.00 74.42 C ATOM 1069 C VAL A 70 -6.107 -17.937 18.289 1.00 52.51 C ATOM 1070 O VAL A 70 -6.760 -17.072 18.871 1.00 11.54 O ATOM 1071 CB VAL A 70 -3.947 -17.391 19.412 1.00 5.12 C ATOM 1072 CG1 VAL A 70 -4.063 -18.534 20.409 1.00 41.11 C ATOM 1073 CG2 VAL A 70 -2.491 -17.005 19.197 1.00 74.33 C ATOM 0 H VAL A 70 -4.779 -15.875 17.197 1.00 42.53 H new ATOM 0 HA VAL A 70 -4.188 -18.715 17.725 1.00 74.42 H new ATOM 0 HB VAL A 70 -4.470 -16.528 19.823 1.00 5.12 H new ATOM 0 HG11 VAL A 70 -3.590 -18.247 21.348 1.00 41.11 H new ATOM 0 HG12 VAL A 70 -5.115 -18.757 20.586 1.00 41.11 H new ATOM 0 HG13 VAL A 70 -3.567 -19.418 20.008 1.00 41.11 H new ATOM 0 HG21 VAL A 70 -2.040 -16.740 20.153 1.00 74.33 H new ATOM 0 HG22 VAL A 70 -1.952 -17.847 18.763 1.00 74.33 H new ATOM 0 HG23 VAL A 70 -2.437 -16.152 18.521 1.00 74.33 H new ATOM 1083 N ASN A 71 -6.648 -19.055 17.816 1.00 53.23 N ATOM 1084 CA ASN A 71 -8.072 -19.334 17.956 1.00 11.52 C ATOM 1085 C ASN A 71 -8.304 -20.538 18.864 1.00 55.40 C ATOM 1086 O ASN A 71 -8.012 -21.675 18.493 1.00 31.34 O ATOM 1087 CB ASN A 71 -8.701 -19.589 16.584 1.00 53.52 C ATOM 1088 CG ASN A 71 -8.774 -18.331 15.739 1.00 74.11 C ATOM 1089 OD1 ASN A 71 -9.398 -17.290 16.282 1.00 10.31 O flip ATOM 1090 ND2 ASN A 71 -8.277 -18.295 14.615 1.00 50.40 N flip ATOM 0 H ASN A 71 -6.121 -19.782 17.332 1.00 53.23 H new ATOM 0 HA ASN A 71 -8.544 -18.462 18.409 1.00 11.52 H new ATOM 0 HB2 ASN A 71 -8.120 -20.345 16.056 1.00 53.52 H new ATOM 0 HB3 ASN A 71 -9.705 -19.993 16.717 1.00 53.52 H new ATOM 0 HD21 ASN A 71 -7.807 -19.118 14.238 1.00 50.40 H new ATOM 0 HD22 ASN A 71 -8.334 -17.442 14.059 1.00 50.40 H new ATOM 1097 N VAL A 72 -8.831 -20.280 20.057 1.00 51.53 N ATOM 1098 CA VAL A 72 -9.103 -21.341 21.019 1.00 24.20 C ATOM 1099 C VAL A 72 -10.533 -21.257 21.540 1.00 31.43 C ATOM 1100 O VAL A 72 -11.102 -20.170 21.651 1.00 20.30 O ATOM 1101 CB VAL A 72 -8.129 -21.282 22.210 1.00 52.34 C ATOM 1102 CG1 VAL A 72 -8.298 -22.505 23.100 1.00 61.34 C ATOM 1103 CG2 VAL A 72 -6.693 -21.165 21.720 1.00 24.11 C ATOM 0 H VAL A 72 -9.078 -19.345 20.380 1.00 51.53 H new ATOM 0 HA VAL A 72 -8.966 -22.287 20.495 1.00 24.20 H new ATOM 0 HB VAL A 72 -8.361 -20.396 22.801 1.00 52.34 H new ATOM 0 HG11 VAL A 72 -7.601 -22.446 23.936 1.00 61.34 H new ATOM 0 HG12 VAL A 72 -9.319 -22.540 23.480 1.00 61.34 H new ATOM 0 HG13 VAL A 72 -8.095 -23.407 22.522 1.00 61.34 H new ATOM 0 HG21 VAL A 72 -6.019 -21.125 22.576 1.00 24.11 H new ATOM 0 HG22 VAL A 72 -6.447 -22.030 21.105 1.00 24.11 H new ATOM 0 HG23 VAL A 72 -6.583 -20.256 21.128 1.00 24.11 H new ATOM 1113 N LEU A 73 -11.109 -22.410 21.860 1.00 10.54 N ATOM 1114 CA LEU A 73 -12.474 -22.468 22.373 1.00 72.02 C ATOM 1115 C LEU A 73 -12.480 -22.637 23.888 1.00 3.23 C ATOM 1116 O LEU A 73 -11.616 -23.309 24.452 1.00 44.43 O ATOM 1117 CB LEU A 73 -13.237 -23.619 21.716 1.00 3.23 C ATOM 1118 CG LEU A 73 -13.490 -23.488 20.213 1.00 71.14 C ATOM 1119 CD1 LEU A 73 -12.330 -24.074 19.423 1.00 5.30 C ATOM 1120 CD2 LEU A 73 -14.796 -24.167 19.831 1.00 64.32 C ATOM 0 H LEU A 73 -10.652 -23.318 21.773 1.00 10.54 H new ATOM 0 HA LEU A 73 -12.968 -21.527 22.130 1.00 72.02 H new ATOM 0 HB2 LEU A 73 -12.684 -24.542 21.892 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -14.199 -23.724 22.218 1.00 3.23 H new ATOM 0 HG LEU A 73 -13.570 -22.429 19.968 1.00 71.14 H new ATOM 0 HD11 LEU A 73 -12.528 -23.972 18.356 1.00 5.30 H new ATOM 0 HD12 LEU A 73 -11.413 -23.542 19.675 1.00 5.30 H new ATOM 0 HD13 LEU A 73 -12.217 -25.129 19.671 1.00 5.30 H new ATOM 0 HD21 LEU A 73 -14.960 -24.064 18.758 1.00 64.32 H new ATOM 0 HD22 LEU A 73 -14.746 -25.225 20.090 1.00 64.32 H new ATOM 0 HD23 LEU A 73 -15.620 -23.700 20.370 1.00 64.32 H new ATOM 1132 N LEU A 74 -13.461 -22.025 24.541 1.00 44.52 N ATOM 1133 CA LEU A 74 -13.583 -22.109 25.993 1.00 22.25 C ATOM 1134 C LEU A 74 -14.396 -23.333 26.402 1.00 10.24 C ATOM 1135 O LEU A 74 -15.555 -23.478 26.012 1.00 22.34 O ATOM 1136 CB LEU A 74 -14.237 -20.841 26.544 1.00 64.12 C ATOM 1137 CG LEU A 74 -13.451 -20.096 27.625 1.00 31.24 C ATOM 1138 CD1 LEU A 74 -12.049 -19.771 27.136 1.00 65.54 C ATOM 1139 CD2 LEU A 74 -14.183 -18.827 28.036 1.00 34.41 C ATOM 0 H LEU A 74 -14.184 -21.465 24.089 1.00 44.52 H new ATOM 0 HA LEU A 74 -12.581 -22.205 26.412 1.00 22.25 H new ATOM 0 HB2 LEU A 74 -14.413 -20.157 25.714 1.00 64.12 H new ATOM 0 HB3 LEU A 74 -15.213 -21.107 26.950 1.00 64.12 H new ATOM 0 HG LEU A 74 -13.368 -20.742 28.499 1.00 31.24 H new ATOM 0 HD11 LEU A 74 -11.505 -19.241 27.918 1.00 65.54 H new ATOM 0 HD12 LEU A 74 -11.525 -20.695 26.892 1.00 65.54 H new ATOM 0 HD13 LEU A 74 -12.110 -19.143 26.247 1.00 65.54 H new ATOM 0 HD21 LEU A 74 -13.610 -18.310 28.805 1.00 34.41 H new ATOM 0 HD22 LEU A 74 -14.297 -18.176 27.169 1.00 34.41 H new ATOM 0 HD23 LEU A 74 -15.167 -19.085 28.428 1.00 34.41 H new ATOM 1151 N GLU A 75 -13.782 -24.210 27.189 1.00 25.11 N ATOM 1152 CA GLU A 75 -14.451 -25.421 27.651 1.00 73.42 C ATOM 1153 C GLU A 75 -15.045 -25.218 29.041 1.00 44.11 C ATOM 1154 O GLU A 75 -14.354 -24.797 29.968 1.00 4.12 O ATOM 1155 CB GLU A 75 -13.470 -26.596 27.671 1.00 3.14 C ATOM 1156 CG GLU A 75 -14.145 -27.953 27.562 1.00 21.34 C ATOM 1157 CD GLU A 75 -13.192 -29.101 27.833 1.00 33.45 C ATOM 1158 OE1 GLU A 75 -12.773 -29.262 28.998 1.00 53.52 O ATOM 1159 OE2 GLU A 75 -12.864 -29.838 26.879 1.00 2.54 O1- ATOM 0 H GLU A 75 -12.823 -24.105 27.520 1.00 25.11 H new ATOM 0 HA GLU A 75 -15.262 -25.644 26.957 1.00 73.42 H new ATOM 0 HB2 GLU A 75 -12.764 -26.483 26.848 1.00 3.14 H new ATOM 0 HB3 GLU A 75 -12.892 -26.560 28.594 1.00 3.14 H new ATOM 0 HG2 GLU A 75 -14.975 -28.000 28.267 1.00 21.34 H new ATOM 0 HG3 GLU A 75 -14.569 -28.065 26.564 1.00 21.34 H new ATOM 1166 N GLU A 76 -16.333 -25.519 29.178 1.00 14.42 N ATOM 1167 CA GLU A 76 -17.021 -25.367 30.454 1.00 55.40 C ATOM 1168 C GLU A 76 -16.292 -26.127 31.559 1.00 52.44 C ATOM 1169 O GLU A 76 -15.755 -27.211 31.331 1.00 74.35 O ATOM 1170 CB GLU A 76 -18.463 -25.866 30.344 1.00 21.40 C ATOM 1171 CG GLU A 76 -18.599 -27.173 29.580 1.00 75.12 C ATOM 1172 CD GLU A 76 -19.057 -26.968 28.150 1.00 53.13 C ATOM 1173 OE1 GLU A 76 -18.190 -26.881 27.256 1.00 51.43 O ATOM 1174 OE2 GLU A 76 -20.283 -26.896 27.925 1.00 33.35 O1- ATOM 0 H GLU A 76 -16.920 -25.869 28.421 1.00 14.42 H new ATOM 0 HA GLU A 76 -17.029 -24.307 30.709 1.00 55.40 H new ATOM 0 HB2 GLU A 76 -18.871 -25.997 31.346 1.00 21.40 H new ATOM 0 HB3 GLU A 76 -19.066 -25.103 29.852 1.00 21.40 H new ATOM 0 HG2 GLU A 76 -17.640 -27.691 29.580 1.00 75.12 H new ATOM 0 HG3 GLU A 76 -19.309 -27.819 30.096 1.00 75.12 H new ATOM 1181 N ASP A 77 -16.277 -25.549 32.756 1.00 24.14 N ATOM 1182 CA ASP A 77 -15.615 -26.171 33.896 1.00 14.13 C ATOM 1183 C ASP A 77 -16.636 -26.766 34.860 1.00 2.45 C ATOM 1184 O ASP A 77 -17.797 -26.355 34.883 1.00 35.31 O ATOM 1185 CB ASP A 77 -14.742 -25.149 34.625 1.00 0.41 C ATOM 1186 CG ASP A 77 -15.540 -24.282 35.579 1.00 44.35 C ATOM 1187 OD1 ASP A 77 -16.717 -23.994 35.275 1.00 4.44 O ATOM 1188 OD2 ASP A 77 -14.988 -23.889 36.629 1.00 33.42 O1- ATOM 0 H ASP A 77 -16.716 -24.651 32.961 1.00 24.14 H new ATOM 0 HA ASP A 77 -14.983 -26.977 33.522 1.00 14.13 H new ATOM 0 HB2 ASP A 77 -13.962 -25.671 35.179 1.00 0.41 H new ATOM 0 HB3 ASP A 77 -14.242 -24.514 33.893 1.00 0.41 H new