USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 761 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 48 GLN :FLIP amide:sc= -2.66 F(o=-7.3!,f=-1.9) USER MOD Set 1.2: A 68 SER OG : rot 179:sc= 0.717 USER MOD Set 2.1: A 40 SER OG : rot -77:sc= -3.39! USER MOD Set 2.2: A 83 LYS NZ :NH3+ -107:sc= 2.32 (180deg=0.647) USER MOD Set 3.1: A 34 TYR OH : rot 33:sc= -0.797 USER MOD Set 3.2: A 88 ASN : amide:sc= -0.138 X(o=-0.94,f=-1.2) USER MOD Set 4.1: A 27 LYS NZ :NH3+ -149:sc= 0 (180deg=0) USER MOD Set 4.2: A 67 LYS NZ :NH3+ 177:sc= -0.692 (180deg=-0.693) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.72! USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.631 USER MOD Single : A 20 GLN : amide:sc= -1 X(o=-1,f=-0.76) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -177:sc= 0.751 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -0.174 X(o=-0.17,f=-0.19) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.152) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -1.79! C(o=-1.8!,f=-1.7!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0.583 K(o=0.58,f=-1.3) USER MOD Single : A 81 MET CE :methyl -123:sc= -1.3 (180deg=-3.41!) USER MOD Single : A 82 SER OG : rot 129:sc= -5.77! USER MOD Single : A 86 MET CE :methyl -103:sc= -3.83! (180deg=-10.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= -5.48! USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 TYR OH : rot 165:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N VAL A 13 -6.934 16.976 -6.931 1.00 0.00 N ATOM 176 CA VAL A 13 -7.382 18.148 -7.733 1.00 0.00 C ATOM 177 C VAL A 13 -6.233 18.628 -8.622 1.00 0.00 C ATOM 178 O VAL A 13 -5.099 18.710 -8.194 1.00 0.00 O ATOM 179 CB VAL A 13 -7.802 19.279 -6.792 1.00 0.00 C ATOM 180 CG1 VAL A 13 -8.577 20.337 -7.580 1.00 0.00 C ATOM 181 CG2 VAL A 13 -8.690 18.716 -5.680 1.00 0.00 C ATOM 0 HA VAL A 13 -8.228 17.859 -8.356 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.915 19.733 -6.351 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.876 21.143 -6.910 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.943 20.739 -8.370 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -9.464 19.884 -8.022 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.989 19.522 -5.010 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -9.578 18.261 -6.119 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.136 17.964 -5.118 1.00 0.00 H new ATOM 191 N GLN A 14 -6.515 18.944 -9.858 1.00 0.00 N ATOM 192 CA GLN A 14 -5.434 19.418 -10.767 1.00 0.00 C ATOM 193 C GLN A 14 -5.625 20.909 -11.056 1.00 0.00 C ATOM 194 O GLN A 14 -6.651 21.328 -11.554 1.00 0.00 O ATOM 195 CB GLN A 14 -5.487 18.631 -12.077 1.00 0.00 C ATOM 196 CG GLN A 14 -4.919 17.228 -11.853 1.00 0.00 C ATOM 197 CD GLN A 14 -5.072 16.405 -13.134 1.00 0.00 C ATOM 198 OE1 GLN A 14 -6.135 15.886 -13.412 1.00 0.00 O ATOM 199 NE2 GLN A 14 -4.048 16.263 -13.931 1.00 0.00 N ATOM 0 H GLN A 14 -7.444 18.894 -10.275 1.00 0.00 H new ATOM 0 HA GLN A 14 -4.466 19.264 -10.291 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.515 18.566 -12.433 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -4.915 19.148 -12.847 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -3.868 17.290 -11.572 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.441 16.740 -11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -3.156 16.699 -13.698 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -4.140 15.716 -14.787 1.00 0.00 H new ATOM 208 N VAL A 15 -4.646 21.712 -10.741 1.00 0.00 N ATOM 209 CA VAL A 15 -4.769 23.175 -10.990 1.00 0.00 C ATOM 210 C VAL A 15 -3.534 23.668 -11.750 1.00 0.00 C ATOM 211 O VAL A 15 -2.427 23.239 -11.495 1.00 0.00 O ATOM 212 CB VAL A 15 -4.864 23.899 -9.649 1.00 0.00 C ATOM 213 CG1 VAL A 15 -3.531 23.774 -8.913 1.00 0.00 C ATOM 214 CG2 VAL A 15 -5.186 25.376 -9.881 1.00 0.00 C ATOM 0 H VAL A 15 -3.765 21.417 -10.321 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.661 23.376 -11.583 1.00 0.00 H new ATOM 0 HB VAL A 15 -5.656 23.451 -9.049 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.595 24.290 -7.955 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -3.306 22.721 -8.744 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.740 24.222 -9.514 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -5.253 25.889 -8.922 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -4.398 25.830 -10.481 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -6.137 25.463 -10.406 1.00 0.00 H new ATOM 224 N THR A 16 -3.712 24.568 -12.680 1.00 0.00 N ATOM 225 CA THR A 16 -2.540 25.081 -13.448 1.00 0.00 C ATOM 226 C THR A 16 -2.705 26.582 -13.701 1.00 0.00 C ATOM 227 O THR A 16 -3.800 27.074 -13.885 1.00 0.00 O ATOM 228 CB THR A 16 -2.448 24.345 -14.788 1.00 0.00 C ATOM 229 OG1 THR A 16 -3.590 24.652 -15.574 1.00 0.00 O ATOM 230 CG2 THR A 16 -2.384 22.837 -14.542 1.00 0.00 C ATOM 0 H THR A 16 -4.613 24.969 -12.940 1.00 0.00 H new ATOM 0 HA THR A 16 -1.629 24.910 -12.874 1.00 0.00 H new ATOM 0 HB THR A 16 -1.548 24.662 -15.316 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.532 24.183 -16.433 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.319 22.315 -15.497 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.506 22.604 -13.940 1.00 0.00 H new ATOM 0 HG23 THR A 16 -3.282 22.516 -14.014 1.00 0.00 H new ATOM 238 N PHE A 17 -1.623 27.313 -13.709 1.00 0.00 N ATOM 239 CA PHE A 17 -1.713 28.783 -13.947 1.00 0.00 C ATOM 240 C PHE A 17 -0.937 29.148 -15.213 1.00 0.00 C ATOM 241 O PHE A 17 0.101 28.588 -15.496 1.00 0.00 O ATOM 242 CB PHE A 17 -1.100 29.530 -12.761 1.00 0.00 C ATOM 243 CG PHE A 17 -1.833 29.169 -11.494 1.00 0.00 C ATOM 244 CD1 PHE A 17 -1.749 27.868 -10.982 1.00 0.00 C ATOM 245 CD2 PHE A 17 -2.591 30.136 -10.826 1.00 0.00 C ATOM 246 CE1 PHE A 17 -2.424 27.537 -9.802 1.00 0.00 C ATOM 247 CE2 PHE A 17 -3.267 29.805 -9.648 1.00 0.00 C ATOM 248 CZ PHE A 17 -3.184 28.505 -9.134 1.00 0.00 C ATOM 0 H PHE A 17 -0.679 26.955 -13.561 1.00 0.00 H new ATOM 0 HA PHE A 17 -2.760 29.062 -14.063 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -0.044 29.276 -12.666 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -1.155 30.605 -12.930 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.164 27.121 -11.498 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.654 31.139 -11.221 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -2.359 26.534 -9.406 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.854 30.552 -9.134 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.706 28.249 -8.223 1.00 0.00 H new ATOM 258 N THR A 18 -1.421 30.091 -15.970 1.00 0.00 N ATOM 259 CA THR A 18 -0.690 30.492 -17.206 1.00 0.00 C ATOM 260 C THR A 18 -0.704 32.017 -17.329 1.00 0.00 C ATOM 261 O THR A 18 -1.741 32.644 -17.259 1.00 0.00 O ATOM 262 CB THR A 18 -1.362 29.867 -18.431 1.00 0.00 C ATOM 263 OG1 THR A 18 -1.414 28.455 -18.272 1.00 0.00 O ATOM 264 CG2 THR A 18 -0.560 30.211 -19.687 1.00 0.00 C ATOM 0 H THR A 18 -2.286 30.600 -15.789 1.00 0.00 H new ATOM 0 HA THR A 18 0.340 30.141 -17.149 1.00 0.00 H new ATOM 0 HB THR A 18 -2.374 30.260 -18.530 1.00 0.00 H new ATOM 0 HG1 THR A 18 -1.845 28.053 -19.055 1.00 0.00 H new ATOM 0 HG21 THR A 18 -1.040 29.765 -20.558 1.00 0.00 H new ATOM 0 HG22 THR A 18 -0.521 31.293 -19.808 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.453 29.820 -19.591 1.00 0.00 H new ATOM 272 N VAL A 19 0.440 32.618 -17.510 1.00 0.00 N ATOM 273 CA VAL A 19 0.488 34.103 -17.635 1.00 0.00 C ATOM 274 C VAL A 19 -0.001 34.512 -19.023 1.00 0.00 C ATOM 275 O VAL A 19 0.461 34.007 -20.027 1.00 0.00 O ATOM 276 CB VAL A 19 1.925 34.592 -17.442 1.00 0.00 C ATOM 277 CG1 VAL A 19 1.931 36.118 -17.315 1.00 0.00 C ATOM 278 CG2 VAL A 19 2.511 33.970 -16.173 1.00 0.00 C ATOM 0 H VAL A 19 1.342 32.146 -17.577 1.00 0.00 H new ATOM 0 HA VAL A 19 -0.152 34.548 -16.873 1.00 0.00 H new ATOM 0 HB VAL A 19 2.528 34.297 -18.301 1.00 0.00 H new ATOM 0 HG11 VAL A 19 2.954 36.468 -17.177 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.515 36.560 -18.220 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.328 36.414 -16.457 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.535 34.319 -16.036 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.910 34.264 -15.313 1.00 0.00 H new ATOM 0 HG23 VAL A 19 2.507 32.884 -16.265 1.00 0.00 H new ATOM 288 N GLN A 20 -0.933 35.421 -19.093 1.00 0.00 N ATOM 289 CA GLN A 20 -1.448 35.855 -20.419 1.00 0.00 C ATOM 290 C GLN A 20 -0.637 37.054 -20.916 1.00 0.00 C ATOM 291 O GLN A 20 0.295 37.497 -20.276 1.00 0.00 O ATOM 292 CB GLN A 20 -2.920 36.252 -20.291 1.00 0.00 C ATOM 293 CG GLN A 20 -3.698 35.110 -19.633 1.00 0.00 C ATOM 294 CD GLN A 20 -3.524 33.833 -20.459 1.00 0.00 C ATOM 295 OE1 GLN A 20 -3.857 33.801 -21.627 1.00 0.00 O ATOM 296 NE2 GLN A 20 -3.015 32.771 -19.896 1.00 0.00 N ATOM 0 H GLN A 20 -1.360 35.881 -18.289 1.00 0.00 H new ATOM 0 HA GLN A 20 -1.354 35.034 -21.130 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -3.013 37.160 -19.696 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -3.336 36.471 -21.274 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.340 34.950 -18.616 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.754 35.369 -19.562 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -2.735 32.798 -18.915 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.897 31.914 -20.437 1.00 0.00 H new ATOM 305 N LYS A 21 -0.987 37.577 -22.058 1.00 0.00 N ATOM 306 CA LYS A 21 -0.246 38.744 -22.613 1.00 0.00 C ATOM 307 C LYS A 21 -0.714 40.033 -21.935 1.00 0.00 C ATOM 308 O LYS A 21 -1.368 40.857 -22.546 1.00 0.00 O ATOM 309 CB LYS A 21 -0.528 38.839 -24.114 1.00 0.00 C ATOM 310 CG LYS A 21 -0.194 37.502 -24.778 1.00 0.00 C ATOM 311 CD LYS A 21 0.194 37.740 -26.239 1.00 0.00 C ATOM 312 CE LYS A 21 0.687 36.430 -26.855 1.00 0.00 C ATOM 313 NZ LYS A 21 2.010 36.654 -27.503 1.00 0.00 N ATOM 0 H LYS A 21 -1.760 37.244 -22.634 1.00 0.00 H new ATOM 0 HA LYS A 21 0.821 38.613 -22.435 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.575 39.091 -24.284 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.067 39.637 -24.558 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.625 37.015 -24.248 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -1.052 36.832 -24.723 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -0.663 38.117 -26.797 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.974 38.499 -26.300 1.00 0.00 H new ATOM 0 HE2 LYS A 21 0.772 35.663 -26.085 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.033 36.067 -27.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 2.346 35.764 -27.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 1.914 37.373 -28.248 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 2.694 36.982 -26.791 1.00 0.00 H new ATOM 327 N GLY A 22 -0.393 40.227 -20.684 1.00 0.00 N ATOM 328 CA GLY A 22 -0.839 41.478 -20.005 1.00 0.00 C ATOM 329 C GLY A 22 -0.301 41.540 -18.572 1.00 0.00 C ATOM 330 O GLY A 22 -0.878 42.184 -17.719 1.00 0.00 O ATOM 0 H GLY A 22 0.151 39.583 -20.109 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.492 42.345 -20.566 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -1.928 41.522 -19.992 1.00 0.00 H new ATOM 334 N SER A 23 0.795 40.890 -18.290 1.00 0.00 N ATOM 335 CA SER A 23 1.337 40.948 -16.902 1.00 0.00 C ATOM 336 C SER A 23 1.966 42.326 -16.674 1.00 0.00 C ATOM 337 O SER A 23 2.604 42.877 -17.548 1.00 0.00 O ATOM 338 CB SER A 23 2.391 39.855 -16.708 1.00 0.00 C ATOM 339 OG SER A 23 2.443 39.485 -15.338 1.00 0.00 O ATOM 0 H SER A 23 1.333 40.328 -18.950 1.00 0.00 H new ATOM 0 HA SER A 23 0.532 40.788 -16.185 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.147 38.987 -17.321 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.367 40.213 -17.036 1.00 0.00 H new ATOM 0 HG SER A 23 3.150 38.819 -15.206 1.00 0.00 H new ATOM 345 N ASP A 24 1.786 42.895 -15.511 1.00 0.00 N ATOM 346 CA ASP A 24 2.370 44.242 -15.244 1.00 0.00 C ATOM 347 C ASP A 24 3.044 44.252 -13.870 1.00 0.00 C ATOM 348 O ASP A 24 2.961 43.300 -13.120 1.00 0.00 O ATOM 349 CB ASP A 24 1.258 45.296 -15.275 1.00 0.00 C ATOM 350 CG ASP A 24 0.045 44.746 -16.029 1.00 0.00 C ATOM 351 OD1 ASP A 24 -0.575 43.825 -15.521 1.00 0.00 O ATOM 352 OD2 ASP A 24 -0.243 45.253 -17.101 1.00 0.00 O ATOM 0 H ASP A 24 1.262 42.487 -14.737 1.00 0.00 H new ATOM 0 HA ASP A 24 3.111 44.470 -16.010 1.00 0.00 H new ATOM 0 HB2 ASP A 24 0.973 45.568 -14.259 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.618 46.204 -15.759 1.00 0.00 H new ATOM 357 N PRO A 25 3.731 45.359 -13.538 1.00 0.00 N ATOM 358 CA PRO A 25 4.430 45.504 -12.256 1.00 0.00 C ATOM 359 C PRO A 25 3.453 45.682 -11.089 1.00 0.00 C ATOM 360 O PRO A 25 3.707 45.253 -9.981 1.00 0.00 O ATOM 361 CB PRO A 25 5.255 46.777 -12.440 1.00 0.00 C ATOM 362 CG PRO A 25 4.522 47.556 -13.479 1.00 0.00 C ATOM 363 CD PRO A 25 3.878 46.551 -14.392 1.00 0.00 C ATOM 0 HA PRO A 25 5.025 44.623 -12.015 1.00 0.00 H new ATOM 0 HB2 PRO A 25 5.333 47.336 -11.508 1.00 0.00 H new ATOM 0 HB3 PRO A 25 6.271 46.547 -12.761 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.772 48.202 -13.022 1.00 0.00 H new ATOM 0 HG3 PRO A 25 5.204 48.202 -14.032 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.914 46.903 -14.761 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.498 46.346 -15.265 1.00 0.00 H new ATOM 371 N LYS A 26 2.333 46.305 -11.335 1.00 0.00 N ATOM 372 CA LYS A 26 1.333 46.505 -10.248 1.00 0.00 C ATOM 373 C LYS A 26 0.047 45.761 -10.611 1.00 0.00 C ATOM 374 O LYS A 26 -0.953 45.850 -9.928 1.00 0.00 O ATOM 375 CB LYS A 26 1.035 47.996 -10.089 1.00 0.00 C ATOM 376 CG LYS A 26 2.350 48.778 -10.055 1.00 0.00 C ATOM 377 CD LYS A 26 2.060 50.250 -9.754 1.00 0.00 C ATOM 378 CE LYS A 26 3.375 51.030 -9.713 1.00 0.00 C ATOM 379 NZ LYS A 26 3.533 51.803 -10.977 1.00 0.00 N ATOM 0 H LYS A 26 2.067 46.685 -12.243 1.00 0.00 H new ATOM 0 HA LYS A 26 1.730 46.119 -9.309 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.414 48.344 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.472 48.170 -9.172 1.00 0.00 H new ATOM 0 HG2 LYS A 26 3.012 48.364 -9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 26 2.865 48.686 -11.011 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.402 50.666 -10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 26 1.540 50.342 -8.800 1.00 0.00 H new ATOM 0 HE2 LYS A 26 3.383 51.705 -8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 26 4.213 50.345 -9.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.427 52.334 -10.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.543 51.149 -11.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.739 52.467 -11.079 1.00 0.00 H new ATOM 393 N LYS A 27 0.076 45.023 -11.685 1.00 0.00 N ATOM 394 CA LYS A 27 -1.129 44.260 -12.108 1.00 0.00 C ATOM 395 C LYS A 27 -0.683 42.912 -12.669 1.00 0.00 C ATOM 396 O LYS A 27 0.232 42.836 -13.466 1.00 0.00 O ATOM 397 CB LYS A 27 -1.881 45.038 -13.190 1.00 0.00 C ATOM 398 CG LYS A 27 -3.137 44.262 -13.590 1.00 0.00 C ATOM 399 CD LYS A 27 -3.754 44.894 -14.839 1.00 0.00 C ATOM 400 CE LYS A 27 -4.949 44.056 -15.297 1.00 0.00 C ATOM 401 NZ LYS A 27 -5.706 44.800 -16.343 1.00 0.00 N ATOM 0 H LYS A 27 0.889 44.915 -12.292 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.789 44.110 -11.254 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -2.153 46.027 -12.821 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -1.240 45.187 -14.059 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -2.886 43.219 -13.784 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -3.858 44.270 -12.772 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -4.073 45.914 -14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.011 44.953 -15.635 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -4.606 43.100 -15.692 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.599 43.836 -14.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.714 44.549 -16.287 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.595 45.823 -16.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.338 44.548 -17.283 1.00 0.00 H new ATOM 415 N LEU A 28 -1.315 41.846 -12.267 1.00 0.00 N ATOM 416 CA LEU A 28 -0.908 40.515 -12.790 1.00 0.00 C ATOM 417 C LEU A 28 -2.119 39.812 -13.402 1.00 0.00 C ATOM 418 O LEU A 28 -3.173 39.724 -12.805 1.00 0.00 O ATOM 419 CB LEU A 28 -0.336 39.665 -11.653 1.00 0.00 C ATOM 420 CG LEU A 28 0.981 39.028 -12.103 1.00 0.00 C ATOM 421 CD1 LEU A 28 1.828 38.691 -10.874 1.00 0.00 C ATOM 422 CD2 LEU A 28 0.686 37.748 -12.886 1.00 0.00 C ATOM 0 H LEU A 28 -2.090 41.839 -11.604 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.144 40.648 -13.556 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.170 40.283 -10.771 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.049 38.890 -11.370 1.00 0.00 H new ATOM 0 HG LEU A 28 1.525 39.726 -12.740 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.767 38.237 -11.192 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.037 39.603 -10.315 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.284 37.992 -10.238 1.00 0.00 H new ATOM 0 HD21 LEU A 28 1.623 37.294 -13.207 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.143 37.049 -12.250 1.00 0.00 H new ATOM 0 HD23 LEU A 28 0.081 37.988 -13.760 1.00 0.00 H new ATOM 434 N VAL A 29 -1.961 39.303 -14.591 1.00 0.00 N ATOM 435 CA VAL A 29 -3.081 38.591 -15.262 1.00 0.00 C ATOM 436 C VAL A 29 -2.629 37.167 -15.574 1.00 0.00 C ATOM 437 O VAL A 29 -1.622 36.955 -16.219 1.00 0.00 O ATOM 438 CB VAL A 29 -3.440 39.314 -16.562 1.00 0.00 C ATOM 439 CG1 VAL A 29 -4.834 38.882 -17.019 1.00 0.00 C ATOM 440 CG2 VAL A 29 -3.428 40.826 -16.324 1.00 0.00 C ATOM 0 H VAL A 29 -1.097 39.351 -15.130 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.957 38.571 -14.614 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.711 39.060 -17.332 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -5.089 39.397 -17.945 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.844 37.805 -17.188 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.564 39.135 -16.250 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -3.684 41.342 -17.249 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.157 41.079 -15.554 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -2.435 41.135 -15.999 1.00 0.00 H new ATOM 450 N LEU A 30 -3.354 36.184 -15.117 1.00 0.00 N ATOM 451 CA LEU A 30 -2.942 34.779 -15.389 1.00 0.00 C ATOM 452 C LEU A 30 -4.173 33.910 -15.619 1.00 0.00 C ATOM 453 O LEU A 30 -5.186 34.063 -14.966 1.00 0.00 O ATOM 454 CB LEU A 30 -2.175 34.220 -14.186 1.00 0.00 C ATOM 455 CG LEU A 30 -1.021 35.150 -13.809 1.00 0.00 C ATOM 456 CD1 LEU A 30 -1.127 35.512 -12.326 1.00 0.00 C ATOM 457 CD2 LEU A 30 0.308 34.437 -14.066 1.00 0.00 C ATOM 0 H LEU A 30 -4.208 36.292 -14.570 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.308 34.770 -16.276 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.850 34.106 -13.338 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.789 33.228 -14.422 1.00 0.00 H new ATOM 0 HG LEU A 30 -1.070 36.058 -14.410 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -0.306 36.175 -12.054 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.076 36.015 -12.141 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.075 34.604 -11.725 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.133 35.097 -13.798 1.00 0.00 H new ATOM 0 HD22 LEU A 30 0.358 33.531 -13.462 1.00 0.00 H new ATOM 0 HD23 LEU A 30 0.382 34.174 -15.121 1.00 0.00 H new ATOM 469 N ASP A 31 -4.079 32.967 -16.513 1.00 0.00 N ATOM 470 CA ASP A 31 -5.228 32.056 -16.745 1.00 0.00 C ATOM 471 C ASP A 31 -5.141 30.949 -15.699 1.00 0.00 C ATOM 472 O ASP A 31 -4.079 30.419 -15.440 1.00 0.00 O ATOM 473 CB ASP A 31 -5.147 31.456 -18.151 1.00 0.00 C ATOM 474 CG ASP A 31 -6.377 30.584 -18.404 1.00 0.00 C ATOM 475 OD1 ASP A 31 -7.270 30.597 -17.572 1.00 0.00 O ATOM 476 OD2 ASP A 31 -6.407 29.918 -19.426 1.00 0.00 O ATOM 0 H ASP A 31 -3.257 32.789 -17.091 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.172 32.594 -16.663 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.092 32.251 -18.895 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.239 30.861 -18.253 1.00 0.00 H new ATOM 481 N ILE A 32 -6.229 30.602 -15.076 1.00 0.00 N ATOM 482 CA ILE A 32 -6.150 29.541 -14.037 1.00 0.00 C ATOM 483 C ILE A 32 -7.030 28.356 -14.415 1.00 0.00 C ATOM 484 O ILE A 32 -8.196 28.499 -14.725 1.00 0.00 O ATOM 485 CB ILE A 32 -6.601 30.106 -12.690 1.00 0.00 C ATOM 486 CG1 ILE A 32 -5.551 31.090 -12.172 1.00 0.00 C ATOM 487 CG2 ILE A 32 -6.774 28.963 -11.688 1.00 0.00 C ATOM 488 CD1 ILE A 32 -6.092 31.809 -10.935 1.00 0.00 C ATOM 0 H ILE A 32 -7.155 30.999 -15.236 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.117 29.200 -13.964 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.552 30.624 -12.813 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.631 30.560 -11.924 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.302 31.815 -12.947 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.096 29.366 -10.728 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.525 28.265 -12.058 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -5.825 28.442 -11.563 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.344 32.510 -10.566 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -7.000 32.352 -11.198 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.318 31.078 -10.159 1.00 0.00 H new ATOM 500 N LYS A 33 -6.476 27.180 -14.361 1.00 0.00 N ATOM 501 CA LYS A 33 -7.266 25.964 -14.680 1.00 0.00 C ATOM 502 C LYS A 33 -7.452 25.172 -13.389 1.00 0.00 C ATOM 503 O LYS A 33 -6.498 24.770 -12.753 1.00 0.00 O ATOM 504 CB LYS A 33 -6.524 25.113 -15.713 1.00 0.00 C ATOM 505 CG LYS A 33 -7.490 24.093 -16.320 1.00 0.00 C ATOM 506 CD LYS A 33 -6.730 23.178 -17.282 1.00 0.00 C ATOM 507 CE LYS A 33 -6.712 23.807 -18.677 1.00 0.00 C ATOM 508 NZ LYS A 33 -7.781 23.192 -19.513 1.00 0.00 N ATOM 0 H LYS A 33 -5.503 27.009 -14.108 1.00 0.00 H new ATOM 0 HA LYS A 33 -8.234 26.241 -15.097 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -6.111 25.749 -16.496 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.685 24.600 -15.243 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -7.955 23.502 -15.531 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -8.293 24.607 -16.848 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.711 23.025 -16.927 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.205 22.197 -17.320 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.867 24.884 -18.604 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.738 23.656 -19.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.769 23.619 -20.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.614 22.169 -19.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.707 23.358 -19.070 1.00 0.00 H new ATOM 522 N TYR A 34 -8.671 24.956 -12.991 1.00 0.00 N ATOM 523 CA TYR A 34 -8.920 24.204 -11.735 1.00 0.00 C ATOM 524 C TYR A 34 -9.743 22.954 -12.043 1.00 0.00 C ATOM 525 O TYR A 34 -10.847 23.036 -12.544 1.00 0.00 O ATOM 526 CB TYR A 34 -9.680 25.098 -10.760 1.00 0.00 C ATOM 527 CG TYR A 34 -9.916 24.354 -9.467 1.00 0.00 C ATOM 528 CD1 TYR A 34 -8.888 24.248 -8.524 1.00 0.00 C ATOM 529 CD2 TYR A 34 -11.161 23.767 -9.215 1.00 0.00 C ATOM 530 CE1 TYR A 34 -9.106 23.557 -7.326 1.00 0.00 C ATOM 531 CE2 TYR A 34 -11.380 23.075 -8.018 1.00 0.00 C ATOM 532 CZ TYR A 34 -10.352 22.970 -7.073 1.00 0.00 C ATOM 533 OH TYR A 34 -10.567 22.287 -5.894 1.00 0.00 O ATOM 0 H TYR A 34 -9.508 25.269 -13.483 1.00 0.00 H new ATOM 0 HA TYR A 34 -7.971 23.905 -11.289 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.113 26.009 -10.569 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.632 25.401 -11.196 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -7.927 24.699 -8.720 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -11.953 23.848 -9.944 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -8.313 23.477 -6.597 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -12.341 22.622 -7.823 1.00 0.00 H new ATOM 0 HH TYR A 34 -10.042 22.699 -5.177 1.00 0.00 H new ATOM 543 N THR A 35 -9.216 21.798 -11.751 1.00 0.00 N ATOM 544 CA THR A 35 -9.976 20.549 -12.035 1.00 0.00 C ATOM 545 C THR A 35 -10.158 19.750 -10.744 1.00 0.00 C ATOM 546 O THR A 35 -9.207 19.279 -10.152 1.00 0.00 O ATOM 547 CB THR A 35 -9.215 19.705 -13.061 1.00 0.00 C ATOM 548 OG1 THR A 35 -8.919 20.500 -14.200 1.00 0.00 O ATOM 549 CG2 THR A 35 -10.075 18.512 -13.480 1.00 0.00 C ATOM 0 H THR A 35 -8.297 21.664 -11.330 1.00 0.00 H new ATOM 0 HA THR A 35 -10.955 20.808 -12.437 1.00 0.00 H new ATOM 0 HB THR A 35 -8.287 19.344 -12.618 1.00 0.00 H new ATOM 0 HG1 THR A 35 -8.430 19.961 -14.857 1.00 0.00 H new ATOM 0 HG21 THR A 35 -9.533 17.911 -14.210 1.00 0.00 H new ATOM 0 HG22 THR A 35 -10.302 17.902 -12.606 1.00 0.00 H new ATOM 0 HG23 THR A 35 -11.004 18.871 -13.923 1.00 0.00 H new ATOM 557 N ARG A 36 -11.378 19.592 -10.310 1.00 0.00 N ATOM 558 CA ARG A 36 -11.637 18.822 -9.063 1.00 0.00 C ATOM 559 C ARG A 36 -12.788 17.845 -9.310 1.00 0.00 C ATOM 560 O ARG A 36 -13.783 18.185 -9.918 1.00 0.00 O ATOM 561 CB ARG A 36 -12.016 19.783 -7.936 1.00 0.00 C ATOM 562 CG ARG A 36 -11.503 19.233 -6.604 1.00 0.00 C ATOM 563 CD ARG A 36 -12.654 18.568 -5.848 1.00 0.00 C ATOM 564 NE ARG A 36 -12.148 17.368 -5.125 1.00 0.00 N ATOM 565 CZ ARG A 36 -12.869 16.820 -4.186 1.00 0.00 C ATOM 566 NH1 ARG A 36 -13.903 16.090 -4.501 1.00 0.00 N ATOM 567 NH2 ARG A 36 -12.556 17.003 -2.933 1.00 0.00 N ATOM 0 H ARG A 36 -12.209 19.965 -10.768 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.740 18.271 -8.778 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.588 20.768 -8.124 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -13.098 19.907 -7.898 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -10.705 18.512 -6.780 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.078 20.039 -6.005 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -13.094 19.272 -5.142 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -13.442 18.281 -6.544 1.00 0.00 H new ATOM 0 HE ARG A 36 -11.238 16.975 -5.364 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -14.147 15.948 -5.481 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -14.467 15.661 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -11.748 17.575 -2.687 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -13.120 16.575 -2.199 1.00 0.00 H new ATOM 581 N PRO A 37 -12.644 16.603 -8.827 1.00 0.00 N ATOM 582 CA PRO A 37 -13.667 15.563 -8.996 1.00 0.00 C ATOM 583 C PRO A 37 -14.919 15.851 -8.163 1.00 0.00 C ATOM 584 O PRO A 37 -14.933 15.670 -6.962 1.00 0.00 O ATOM 585 CB PRO A 37 -12.979 14.300 -8.482 1.00 0.00 C ATOM 586 CG PRO A 37 -11.938 14.795 -7.537 1.00 0.00 C ATOM 587 CD PRO A 37 -11.471 16.115 -8.081 1.00 0.00 C ATOM 0 HA PRO A 37 -14.009 15.491 -10.029 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -13.687 13.639 -7.981 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -12.534 13.731 -9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.347 14.910 -6.533 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -11.111 14.089 -7.465 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -11.186 16.802 -7.284 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -10.601 15.999 -8.728 1.00 0.00 H new ATOM 595 N GLY A 38 -15.973 16.293 -8.794 1.00 0.00 N ATOM 596 CA GLY A 38 -17.224 16.585 -8.040 1.00 0.00 C ATOM 597 C GLY A 38 -17.164 18.005 -7.469 1.00 0.00 C ATOM 598 O GLY A 38 -18.052 18.436 -6.762 1.00 0.00 O ATOM 0 H GLY A 38 -16.021 16.464 -9.798 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -18.088 16.483 -8.697 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -17.350 15.863 -7.233 1.00 0.00 H new ATOM 602 N ASP A 39 -16.124 18.734 -7.766 1.00 0.00 N ATOM 603 CA ASP A 39 -16.015 20.121 -7.234 1.00 0.00 C ATOM 604 C ASP A 39 -15.534 21.063 -8.340 1.00 0.00 C ATOM 605 O ASP A 39 -15.213 20.642 -9.432 1.00 0.00 O ATOM 606 CB ASP A 39 -15.018 20.146 -6.074 1.00 0.00 C ATOM 607 CG ASP A 39 -15.537 21.077 -4.976 1.00 0.00 C ATOM 608 OD1 ASP A 39 -16.501 21.780 -5.229 1.00 0.00 O ATOM 609 OD2 ASP A 39 -14.963 21.068 -3.899 1.00 0.00 O ATOM 0 H ASP A 39 -15.347 18.430 -8.353 1.00 0.00 H new ATOM 0 HA ASP A 39 -16.993 20.449 -6.882 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -14.880 19.140 -5.678 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -14.044 20.487 -6.425 1.00 0.00 H new ATOM 614 N SER A 40 -15.481 22.338 -8.061 1.00 0.00 N ATOM 615 CA SER A 40 -15.021 23.309 -9.090 1.00 0.00 C ATOM 616 C SER A 40 -14.418 24.535 -8.398 1.00 0.00 C ATOM 617 O SER A 40 -14.656 24.782 -7.233 1.00 0.00 O ATOM 618 CB SER A 40 -16.217 23.734 -9.937 1.00 0.00 C ATOM 619 OG SER A 40 -16.912 24.783 -9.278 1.00 0.00 O ATOM 0 H SER A 40 -15.737 22.748 -7.163 1.00 0.00 H new ATOM 0 HA SER A 40 -14.265 22.848 -9.726 1.00 0.00 H new ATOM 0 HB2 SER A 40 -15.881 24.066 -10.919 1.00 0.00 H new ATOM 0 HB3 SER A 40 -16.883 22.886 -10.097 1.00 0.00 H new ATOM 0 HG SER A 40 -17.451 24.411 -8.549 1.00 0.00 H new ATOM 625 N LEU A 41 -13.634 25.303 -9.107 1.00 0.00 N ATOM 626 CA LEU A 41 -13.012 26.511 -8.488 1.00 0.00 C ATOM 627 C LEU A 41 -14.079 27.587 -8.271 1.00 0.00 C ATOM 628 O LEU A 41 -14.862 27.882 -9.152 1.00 0.00 O ATOM 629 CB LEU A 41 -11.923 27.052 -9.418 1.00 0.00 C ATOM 630 CG LEU A 41 -11.513 28.455 -8.967 1.00 0.00 C ATOM 631 CD1 LEU A 41 -11.277 28.459 -7.455 1.00 0.00 C ATOM 632 CD2 LEU A 41 -10.225 28.865 -9.684 1.00 0.00 C ATOM 0 H LEU A 41 -13.397 25.147 -10.087 1.00 0.00 H new ATOM 0 HA LEU A 41 -12.573 26.241 -7.527 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -11.058 26.388 -9.407 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -12.289 27.081 -10.444 1.00 0.00 H new ATOM 0 HG LEU A 41 -12.307 29.160 -9.212 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -10.985 29.459 -7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.194 28.167 -6.943 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -10.484 27.753 -7.209 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -9.932 29.865 -9.363 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.432 28.159 -9.439 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -10.392 28.864 -10.761 1.00 0.00 H new ATOM 644 N ALA A 42 -14.118 28.176 -7.107 1.00 0.00 N ATOM 645 CA ALA A 42 -15.138 29.233 -6.839 1.00 0.00 C ATOM 646 C ALA A 42 -14.441 30.564 -6.560 1.00 0.00 C ATOM 647 O ALA A 42 -14.869 31.607 -7.015 1.00 0.00 O ATOM 648 CB ALA A 42 -15.969 28.842 -5.619 1.00 0.00 C ATOM 0 H ALA A 42 -13.489 27.972 -6.330 1.00 0.00 H new ATOM 0 HA ALA A 42 -15.785 29.334 -7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -16.714 29.614 -5.423 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -16.471 27.893 -5.810 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -15.316 28.739 -4.752 1.00 0.00 H new ATOM 654 N GLU A 43 -13.375 30.542 -5.809 1.00 0.00 N ATOM 655 CA GLU A 43 -12.663 31.815 -5.497 1.00 0.00 C ATOM 656 C GLU A 43 -11.150 31.582 -5.497 1.00 0.00 C ATOM 657 O GLU A 43 -10.676 30.506 -5.192 1.00 0.00 O ATOM 658 CB GLU A 43 -13.101 32.318 -4.120 1.00 0.00 C ATOM 659 CG GLU A 43 -14.587 32.682 -4.159 1.00 0.00 C ATOM 660 CD GLU A 43 -14.972 33.395 -2.861 1.00 0.00 C ATOM 661 OE1 GLU A 43 -14.174 33.376 -1.939 1.00 0.00 O ATOM 662 OE2 GLU A 43 -16.058 33.947 -2.812 1.00 0.00 O ATOM 0 H GLU A 43 -12.967 29.702 -5.399 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.910 32.558 -6.255 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -12.923 31.550 -3.367 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -12.510 33.188 -3.834 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.792 33.325 -5.015 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.190 31.782 -4.285 1.00 0.00 H new ATOM 669 N VAL A 44 -10.391 32.589 -5.837 1.00 0.00 N ATOM 670 CA VAL A 44 -8.909 32.440 -5.858 1.00 0.00 C ATOM 671 C VAL A 44 -8.265 33.695 -5.269 1.00 0.00 C ATOM 672 O VAL A 44 -8.652 34.803 -5.582 1.00 0.00 O ATOM 673 CB VAL A 44 -8.438 32.274 -7.304 1.00 0.00 C ATOM 674 CG1 VAL A 44 -7.046 31.641 -7.318 1.00 0.00 C ATOM 675 CG2 VAL A 44 -9.414 31.373 -8.062 1.00 0.00 C ATOM 0 H VAL A 44 -10.736 33.512 -6.102 1.00 0.00 H new ATOM 0 HA VAL A 44 -8.623 31.567 -5.271 1.00 0.00 H new ATOM 0 HB VAL A 44 -8.399 33.251 -7.785 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.710 31.523 -8.348 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -6.349 32.284 -6.781 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -7.085 30.665 -6.835 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -9.076 31.256 -9.092 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -9.456 30.396 -7.581 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -10.406 31.824 -8.054 1.00 0.00 H new ATOM 685 N GLU A 45 -7.278 33.542 -4.428 1.00 0.00 N ATOM 686 CA GLU A 45 -6.623 34.748 -3.848 1.00 0.00 C ATOM 687 C GLU A 45 -5.110 34.650 -4.059 1.00 0.00 C ATOM 688 O GLU A 45 -4.546 33.575 -4.113 1.00 0.00 O ATOM 689 CB GLU A 45 -6.939 34.851 -2.355 1.00 0.00 C ATOM 690 CG GLU A 45 -8.406 35.245 -2.167 1.00 0.00 C ATOM 691 CD GLU A 45 -8.839 34.925 -0.735 1.00 0.00 C ATOM 692 OE1 GLU A 45 -7.981 34.580 0.061 1.00 0.00 O ATOM 693 OE2 GLU A 45 -10.023 35.030 -0.457 1.00 0.00 O ATOM 0 H GLU A 45 -6.901 32.645 -4.121 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.002 35.641 -4.345 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.742 33.898 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.290 35.591 -1.886 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.537 36.308 -2.369 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.033 34.706 -2.877 1.00 0.00 H new ATOM 700 N LEU A 46 -4.452 35.769 -4.192 1.00 0.00 N ATOM 701 CA LEU A 46 -2.980 35.753 -4.416 1.00 0.00 C ATOM 702 C LEU A 46 -2.274 36.508 -3.289 1.00 0.00 C ATOM 703 O LEU A 46 -2.723 37.546 -2.846 1.00 0.00 O ATOM 704 CB LEU A 46 -2.672 36.440 -5.749 1.00 0.00 C ATOM 705 CG LEU A 46 -1.174 36.345 -6.044 1.00 0.00 C ATOM 706 CD1 LEU A 46 -0.926 36.644 -7.524 1.00 0.00 C ATOM 707 CD2 LEU A 46 -0.419 37.363 -5.187 1.00 0.00 C ATOM 0 H LEU A 46 -4.873 36.697 -4.155 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.628 34.722 -4.434 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.241 35.970 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.979 37.485 -5.710 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.822 35.340 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.141 36.577 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.463 35.920 -8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -1.279 37.649 -7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.648 37.295 -5.397 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.772 38.368 -5.420 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.595 37.152 -4.132 1.00 0.00 H new ATOM 719 N ARG A 47 -1.163 36.000 -2.831 1.00 0.00 N ATOM 720 CA ARG A 47 -0.417 36.694 -1.744 1.00 0.00 C ATOM 721 C ARG A 47 1.032 36.896 -2.191 1.00 0.00 C ATOM 722 O ARG A 47 1.740 35.953 -2.487 1.00 0.00 O ATOM 723 CB ARG A 47 -0.457 35.851 -0.469 1.00 0.00 C ATOM 724 CG ARG A 47 0.583 36.377 0.522 1.00 0.00 C ATOM 725 CD ARG A 47 0.499 35.576 1.823 1.00 0.00 C ATOM 726 NE ARG A 47 1.476 34.451 1.777 1.00 0.00 N ATOM 727 CZ ARG A 47 1.650 33.696 2.828 1.00 0.00 C ATOM 728 NH1 ARG A 47 0.796 33.742 3.813 1.00 0.00 N ATOM 729 NH2 ARG A 47 2.679 32.896 2.892 1.00 0.00 N ATOM 0 H ARG A 47 -0.739 35.134 -3.163 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.876 37.661 -1.539 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.452 35.891 -0.025 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.255 34.806 -0.704 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.582 36.294 0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 47 0.409 37.434 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.712 36.222 2.675 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -0.511 35.190 1.960 1.00 0.00 H new ATOM 0 HE ARG A 47 2.008 34.271 0.925 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.008 34.368 3.762 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.932 33.152 4.634 1.00 0.00 H new ATOM 0 HH21 ARG A 47 3.346 32.861 2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 47 2.816 32.306 3.713 1.00 0.00 H new ATOM 743 N GLN A 48 1.473 38.122 -2.257 1.00 0.00 N ATOM 744 CA GLN A 48 2.869 38.395 -2.701 1.00 0.00 C ATOM 745 C GLN A 48 3.864 37.803 -1.703 1.00 0.00 C ATOM 746 O GLN A 48 3.632 37.788 -0.510 1.00 0.00 O ATOM 747 CB GLN A 48 3.086 39.907 -2.791 1.00 0.00 C ATOM 748 CG GLN A 48 1.874 40.559 -3.461 1.00 0.00 C ATOM 749 CD GLN A 48 2.217 42.001 -3.842 1.00 0.00 C ATOM 750 OE1 GLN A 48 1.548 42.587 -4.796 1.00 0.00 O flip ATOM 751 NE2 GLN A 48 3.104 42.599 -3.265 1.00 0.00 N flip ATOM 0 H GLN A 48 0.925 38.949 -2.022 1.00 0.00 H new ATOM 0 HA GLN A 48 3.027 37.938 -3.678 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.232 40.324 -1.794 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.989 40.122 -3.362 1.00 0.00 H new ATOM 0 HG2 GLN A 48 1.589 39.995 -4.349 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.019 40.544 -2.785 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.627 42.140 -2.519 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.325 43.560 -3.527 1.00 0.00 H new ATOM 760 N HIS A 49 4.976 37.323 -2.186 1.00 0.00 N ATOM 761 CA HIS A 49 5.997 36.742 -1.273 1.00 0.00 C ATOM 762 C HIS A 49 6.378 37.781 -0.216 1.00 0.00 C ATOM 763 O HIS A 49 6.419 38.967 -0.480 1.00 0.00 O ATOM 764 CB HIS A 49 7.240 36.349 -2.075 1.00 0.00 C ATOM 765 CG HIS A 49 8.406 36.157 -1.143 1.00 0.00 C ATOM 766 ND1 HIS A 49 8.521 35.045 -0.324 1.00 0.00 N ATOM 767 CD2 HIS A 49 9.515 36.926 -0.891 1.00 0.00 C ATOM 768 CE1 HIS A 49 9.663 35.176 0.377 1.00 0.00 C ATOM 769 NE2 HIS A 49 10.307 36.304 0.070 1.00 0.00 N ATOM 0 H HIS A 49 5.221 37.308 -3.176 1.00 0.00 H new ATOM 0 HA HIS A 49 5.589 35.856 -0.786 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.051 35.430 -2.630 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.471 37.122 -2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 49 9.739 37.870 -1.366 1.00 0.00 H new ATOM 0 HE1 HIS A 49 10.015 34.455 1.100 1.00 0.00 H new ATOM 0 HE2 HIS A 49 11.190 36.638 0.456 1.00 0.00 H new ATOM 777 N GLY A 50 6.659 37.342 0.979 1.00 0.00 N ATOM 778 CA GLY A 50 7.040 38.298 2.057 1.00 0.00 C ATOM 779 C GLY A 50 5.807 39.084 2.510 1.00 0.00 C ATOM 780 O GLY A 50 5.887 39.937 3.370 1.00 0.00 O ATOM 0 H GLY A 50 6.641 36.361 1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 50 7.469 37.757 2.901 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.807 38.983 1.695 1.00 0.00 H new ATOM 784 N SER A 51 4.664 38.804 1.941 1.00 0.00 N ATOM 785 CA SER A 51 3.433 39.538 2.349 1.00 0.00 C ATOM 786 C SER A 51 2.492 38.580 3.081 1.00 0.00 C ATOM 787 O SER A 51 2.508 37.386 2.856 1.00 0.00 O ATOM 788 CB SER A 51 2.735 40.097 1.109 1.00 0.00 C ATOM 789 OG SER A 51 1.740 41.029 1.505 1.00 0.00 O ATOM 0 H SER A 51 4.531 38.101 1.214 1.00 0.00 H new ATOM 0 HA SER A 51 3.701 40.361 3.011 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.462 40.580 0.456 1.00 0.00 H new ATOM 0 HB3 SER A 51 2.282 39.287 0.537 1.00 0.00 H new ATOM 0 HG SER A 51 1.294 41.389 0.710 1.00 0.00 H new ATOM 795 N GLU A 52 1.671 39.092 3.956 1.00 0.00 N ATOM 796 CA GLU A 52 0.732 38.208 4.702 1.00 0.00 C ATOM 797 C GLU A 52 -0.709 38.617 4.394 1.00 0.00 C ATOM 798 O GLU A 52 -1.646 38.123 4.990 1.00 0.00 O ATOM 799 CB GLU A 52 0.988 38.342 6.204 1.00 0.00 C ATOM 800 CG GLU A 52 0.338 37.169 6.941 1.00 0.00 C ATOM 801 CD GLU A 52 0.981 35.860 6.481 1.00 0.00 C ATOM 802 OE1 GLU A 52 2.173 35.868 6.218 1.00 0.00 O ATOM 803 OE2 GLU A 52 0.271 34.871 6.397 1.00 0.00 O ATOM 0 H GLU A 52 1.610 40.084 4.187 1.00 0.00 H new ATOM 0 HA GLU A 52 0.890 37.174 4.397 1.00 0.00 H new ATOM 0 HB2 GLU A 52 2.060 38.359 6.401 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.582 39.285 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 52 0.461 37.289 8.017 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.734 37.150 6.743 1.00 0.00 H new ATOM 810 N GLU A 53 -0.897 39.516 3.467 1.00 0.00 N ATOM 811 CA GLU A 53 -2.279 39.953 3.124 1.00 0.00 C ATOM 812 C GLU A 53 -2.696 39.328 1.792 1.00 0.00 C ATOM 813 O GLU A 53 -2.358 39.815 0.731 1.00 0.00 O ATOM 814 CB GLU A 53 -2.320 41.478 3.008 1.00 0.00 C ATOM 815 CG GLU A 53 -2.319 42.096 4.408 1.00 0.00 C ATOM 816 CD GLU A 53 -2.629 43.591 4.307 1.00 0.00 C ATOM 817 OE1 GLU A 53 -1.699 44.358 4.122 1.00 0.00 O ATOM 818 OE2 GLU A 53 -3.792 43.943 4.415 1.00 0.00 O ATOM 0 H GLU A 53 -0.154 39.966 2.933 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.966 39.631 3.907 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -1.460 41.834 2.441 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.211 41.788 2.463 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.061 41.602 5.036 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.349 41.946 4.882 1.00 0.00 H new ATOM 825 N TRP A 54 -3.426 38.249 1.841 1.00 0.00 N ATOM 826 CA TRP A 54 -3.866 37.587 0.583 1.00 0.00 C ATOM 827 C TRP A 54 -4.773 38.531 -0.209 1.00 0.00 C ATOM 828 O TRP A 54 -5.693 39.118 0.324 1.00 0.00 O ATOM 829 CB TRP A 54 -4.635 36.309 0.924 1.00 0.00 C ATOM 830 CG TRP A 54 -3.663 35.223 1.254 1.00 0.00 C ATOM 831 CD1 TRP A 54 -3.074 35.048 2.459 1.00 0.00 C ATOM 832 CD2 TRP A 54 -3.156 34.167 0.391 1.00 0.00 C ATOM 833 NE1 TRP A 54 -2.239 33.946 2.390 1.00 0.00 N ATOM 834 CE2 TRP A 54 -2.255 33.370 1.136 1.00 0.00 C ATOM 835 CE3 TRP A 54 -3.391 33.826 -0.952 1.00 0.00 C ATOM 836 CZ2 TRP A 54 -1.608 32.272 0.565 1.00 0.00 C ATOM 837 CZ3 TRP A 54 -2.742 32.723 -1.528 1.00 0.00 C ATOM 838 CH2 TRP A 54 -1.852 31.948 -0.772 1.00 0.00 C ATOM 0 H TRP A 54 -3.737 37.796 2.700 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.992 37.339 -0.019 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -5.301 36.486 1.768 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -5.260 36.011 0.082 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -3.229 35.666 3.331 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.680 33.602 3.171 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -4.075 34.416 -1.544 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.924 31.678 1.153 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -2.930 32.470 -2.561 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.355 31.101 -1.222 1.00 0.00 H new ATOM 849 N GLU A 55 -4.517 38.678 -1.481 1.00 0.00 N ATOM 850 CA GLU A 55 -5.361 39.580 -2.314 1.00 0.00 C ATOM 851 C GLU A 55 -6.285 38.739 -3.197 1.00 0.00 C ATOM 852 O GLU A 55 -5.878 37.747 -3.769 1.00 0.00 O ATOM 853 CB GLU A 55 -4.461 40.449 -3.197 1.00 0.00 C ATOM 854 CG GLU A 55 -4.326 41.840 -2.575 1.00 0.00 C ATOM 855 CD GLU A 55 -3.005 41.930 -1.808 1.00 0.00 C ATOM 856 OE1 GLU A 55 -2.126 41.132 -2.087 1.00 0.00 O ATOM 857 OE2 GLU A 55 -2.895 42.796 -0.955 1.00 0.00 O ATOM 0 H GLU A 55 -3.759 38.212 -1.979 1.00 0.00 H new ATOM 0 HA GLU A 55 -5.960 40.220 -1.666 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -3.479 39.988 -3.299 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.882 40.526 -4.199 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -4.360 42.603 -3.353 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -5.163 42.032 -1.903 1.00 0.00 H new ATOM 864 N PRO A 56 -7.559 39.145 -3.302 1.00 0.00 N ATOM 865 CA PRO A 56 -8.557 38.431 -4.111 1.00 0.00 C ATOM 866 C PRO A 56 -8.302 38.586 -5.615 1.00 0.00 C ATOM 867 O PRO A 56 -7.753 39.573 -6.065 1.00 0.00 O ATOM 868 CB PRO A 56 -9.873 39.112 -3.736 1.00 0.00 C ATOM 869 CG PRO A 56 -9.475 40.475 -3.281 1.00 0.00 C ATOM 870 CD PRO A 56 -8.126 40.330 -2.638 1.00 0.00 C ATOM 0 HA PRO A 56 -8.541 37.358 -3.919 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -10.551 39.161 -4.588 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.391 38.566 -2.947 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.432 41.168 -4.121 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.201 40.876 -2.574 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.508 41.214 -2.796 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.207 40.187 -1.561 1.00 0.00 H new ATOM 878 N LEU A 57 -8.708 37.618 -6.392 1.00 0.00 N ATOM 879 CA LEU A 57 -8.504 37.700 -7.867 1.00 0.00 C ATOM 880 C LEU A 57 -9.864 37.894 -8.540 1.00 0.00 C ATOM 881 O LEU A 57 -10.882 37.493 -8.012 1.00 0.00 O ATOM 882 CB LEU A 57 -7.891 36.388 -8.373 1.00 0.00 C ATOM 883 CG LEU A 57 -6.404 36.314 -8.015 1.00 0.00 C ATOM 884 CD1 LEU A 57 -5.578 36.907 -9.159 1.00 0.00 C ATOM 885 CD2 LEU A 57 -6.141 37.094 -6.726 1.00 0.00 C ATOM 0 H LEU A 57 -9.174 36.771 -6.067 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.839 38.532 -8.100 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.419 35.541 -7.935 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.014 36.316 -9.454 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.118 35.273 -7.863 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -4.519 36.856 -8.907 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -5.762 36.341 -10.072 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -5.864 37.947 -9.313 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -5.081 37.038 -6.476 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -6.426 38.137 -6.867 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -6.728 36.664 -5.914 1.00 0.00 H new ATOM 897 N THR A 58 -9.902 38.487 -9.702 1.00 0.00 N ATOM 898 CA THR A 58 -11.215 38.670 -10.380 1.00 0.00 C ATOM 899 C THR A 58 -11.269 37.756 -11.605 1.00 0.00 C ATOM 900 O THR A 58 -10.390 37.780 -12.444 1.00 0.00 O ATOM 901 CB THR A 58 -11.382 40.130 -10.810 1.00 0.00 C ATOM 902 OG1 THR A 58 -10.985 40.983 -9.745 1.00 0.00 O ATOM 903 CG2 THR A 58 -12.846 40.397 -11.162 1.00 0.00 C ATOM 0 H THR A 58 -9.092 38.848 -10.205 1.00 0.00 H new ATOM 0 HA THR A 58 -12.023 38.415 -9.694 1.00 0.00 H new ATOM 0 HB THR A 58 -10.761 40.325 -11.684 1.00 0.00 H new ATOM 0 HG1 THR A 58 -11.089 41.918 -10.019 1.00 0.00 H new ATOM 0 HG21 THR A 58 -12.963 41.437 -11.468 1.00 0.00 H new ATOM 0 HG22 THR A 58 -13.149 39.742 -11.979 1.00 0.00 H new ATOM 0 HG23 THR A 58 -13.471 40.203 -10.290 1.00 0.00 H new ATOM 911 N LYS A 59 -12.283 36.943 -11.715 1.00 0.00 N ATOM 912 CA LYS A 59 -12.371 36.027 -12.887 1.00 0.00 C ATOM 913 C LYS A 59 -12.766 36.830 -14.127 1.00 0.00 C ATOM 914 O LYS A 59 -13.901 37.238 -14.272 1.00 0.00 O ATOM 915 CB LYS A 59 -13.427 34.956 -12.611 1.00 0.00 C ATOM 916 CG LYS A 59 -13.312 33.842 -13.651 1.00 0.00 C ATOM 917 CD LYS A 59 -14.266 32.703 -13.284 1.00 0.00 C ATOM 918 CE LYS A 59 -13.950 31.478 -14.143 1.00 0.00 C ATOM 919 NZ LYS A 59 -14.696 31.568 -15.429 1.00 0.00 N ATOM 0 H LYS A 59 -13.051 36.873 -11.048 1.00 0.00 H new ATOM 0 HA LYS A 59 -11.406 35.550 -13.056 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -13.292 34.548 -11.609 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -14.423 35.397 -12.644 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.553 34.228 -14.641 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -12.287 33.473 -13.693 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -14.165 32.456 -12.227 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -15.299 33.014 -13.441 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.879 31.422 -14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.227 30.567 -13.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.356 30.831 -16.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.712 31.432 -15.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.542 32.504 -15.855 1.00 0.00 H new ATOM 933 N LYS A 60 -11.847 37.076 -15.022 1.00 0.00 N ATOM 934 CA LYS A 60 -12.202 37.869 -16.232 1.00 0.00 C ATOM 935 C LYS A 60 -11.944 37.048 -17.498 1.00 0.00 C ATOM 936 O LYS A 60 -10.985 36.314 -17.586 1.00 0.00 O ATOM 937 CB LYS A 60 -11.354 39.142 -16.271 1.00 0.00 C ATOM 938 CG LYS A 60 -11.767 40.066 -15.125 1.00 0.00 C ATOM 939 CD LYS A 60 -11.581 41.524 -15.552 1.00 0.00 C ATOM 940 CE LYS A 60 -12.279 42.444 -14.549 1.00 0.00 C ATOM 941 NZ LYS A 60 -11.270 43.016 -13.612 1.00 0.00 N ATOM 0 H LYS A 60 -10.877 36.766 -14.969 1.00 0.00 H new ATOM 0 HA LYS A 60 -13.260 38.129 -16.188 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -10.297 38.890 -16.186 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -11.485 39.650 -17.227 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -12.807 39.885 -14.855 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -11.167 39.856 -14.240 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -10.519 41.766 -15.605 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -11.993 41.677 -16.549 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -12.798 43.245 -15.075 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -13.033 41.887 -13.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.745 43.641 -12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -10.794 42.245 -13.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -10.566 43.561 -14.150 1.00 0.00 H new ATOM 955 N GLY A 61 -12.785 37.181 -18.485 1.00 0.00 N ATOM 956 CA GLY A 61 -12.582 36.424 -19.754 1.00 0.00 C ATOM 957 C GLY A 61 -12.147 34.984 -19.459 1.00 0.00 C ATOM 958 O GLY A 61 -11.362 34.407 -20.185 1.00 0.00 O ATOM 0 H GLY A 61 -13.608 37.784 -18.468 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -13.506 36.419 -20.333 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -11.827 36.920 -20.363 1.00 0.00 H new ATOM 962 N ASN A 62 -12.658 34.392 -18.414 1.00 0.00 N ATOM 963 CA ASN A 62 -12.281 32.983 -18.094 1.00 0.00 C ATOM 964 C ASN A 62 -10.900 32.935 -17.432 1.00 0.00 C ATOM 965 O ASN A 62 -10.325 31.879 -17.257 1.00 0.00 O ATOM 966 CB ASN A 62 -12.256 32.159 -19.383 1.00 0.00 C ATOM 967 CG ASN A 62 -13.428 32.576 -20.276 1.00 0.00 C ATOM 968 OD1 ASN A 62 -14.553 32.656 -19.824 1.00 0.00 O ATOM 969 ND2 ASN A 62 -13.210 32.847 -21.534 1.00 0.00 N ATOM 0 H ASN A 62 -13.320 34.822 -17.768 1.00 0.00 H new ATOM 0 HA ASN A 62 -13.016 32.570 -17.403 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -11.313 32.312 -19.907 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -12.322 31.096 -19.150 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -13.984 33.126 -22.137 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -12.266 32.780 -21.914 1.00 0.00 H new ATOM 976 N VAL A 63 -10.366 34.061 -17.050 1.00 0.00 N ATOM 977 CA VAL A 63 -9.030 34.064 -16.385 1.00 0.00 C ATOM 978 C VAL A 63 -9.130 34.860 -15.083 1.00 0.00 C ATOM 979 O VAL A 63 -10.188 35.333 -14.720 1.00 0.00 O ATOM 980 CB VAL A 63 -7.985 34.704 -17.302 1.00 0.00 C ATOM 981 CG1 VAL A 63 -7.710 33.777 -18.487 1.00 0.00 C ATOM 982 CG2 VAL A 63 -8.502 36.048 -17.816 1.00 0.00 C ATOM 0 H VAL A 63 -10.795 34.979 -17.168 1.00 0.00 H new ATOM 0 HA VAL A 63 -8.726 33.039 -16.173 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.064 34.863 -16.741 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.966 34.233 -19.140 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -7.335 32.821 -18.122 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -8.633 33.616 -19.045 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.755 36.500 -18.468 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -9.425 35.893 -18.374 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.695 36.710 -16.972 1.00 0.00 H new ATOM 992 N TRP A 64 -8.046 35.012 -14.373 1.00 0.00 N ATOM 993 CA TRP A 64 -8.113 35.778 -13.098 1.00 0.00 C ATOM 994 C TRP A 64 -7.121 36.941 -13.136 1.00 0.00 C ATOM 995 O TRP A 64 -6.019 36.820 -13.636 1.00 0.00 O ATOM 996 CB TRP A 64 -7.774 34.857 -11.926 1.00 0.00 C ATOM 997 CG TRP A 64 -8.865 33.847 -11.757 1.00 0.00 C ATOM 998 CD1 TRP A 64 -9.045 32.758 -12.539 1.00 0.00 C ATOM 999 CD2 TRP A 64 -9.924 33.817 -10.759 1.00 0.00 C ATOM 1000 NE1 TRP A 64 -10.152 32.061 -12.083 1.00 0.00 N ATOM 1001 CE2 TRP A 64 -10.726 32.674 -10.987 1.00 0.00 C ATOM 1002 CE3 TRP A 64 -10.262 34.661 -9.688 1.00 0.00 C ATOM 1003 CZ2 TRP A 64 -11.826 32.381 -10.180 1.00 0.00 C ATOM 1004 CZ3 TRP A 64 -11.367 34.371 -8.874 1.00 0.00 C ATOM 1005 CH2 TRP A 64 -12.148 33.232 -9.118 1.00 0.00 C ATOM 0 H TRP A 64 -7.127 34.643 -14.617 1.00 0.00 H new ATOM 0 HA TRP A 64 -9.122 36.171 -12.972 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.823 34.355 -12.106 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -7.658 35.440 -11.012 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -8.428 32.478 -13.380 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -10.500 31.200 -12.505 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -9.666 35.540 -9.490 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -12.424 31.503 -10.374 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -11.618 35.029 -8.055 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -12.997 33.012 -8.487 1.00 0.00 H new ATOM 1016 N GLU A 65 -7.508 38.068 -12.605 1.00 0.00 N ATOM 1017 CA GLU A 65 -6.598 39.245 -12.599 1.00 0.00 C ATOM 1018 C GLU A 65 -6.494 39.790 -11.174 1.00 0.00 C ATOM 1019 O GLU A 65 -7.459 39.812 -10.436 1.00 0.00 O ATOM 1020 CB GLU A 65 -7.159 40.331 -13.519 1.00 0.00 C ATOM 1021 CG GLU A 65 -7.301 39.776 -14.937 1.00 0.00 C ATOM 1022 CD GLU A 65 -7.783 40.886 -15.874 1.00 0.00 C ATOM 1023 OE1 GLU A 65 -8.223 41.908 -15.373 1.00 0.00 O ATOM 1024 OE2 GLU A 65 -7.704 40.695 -17.076 1.00 0.00 O ATOM 0 H GLU A 65 -8.419 38.224 -12.174 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.611 38.947 -12.953 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -8.128 40.669 -13.151 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -6.498 41.198 -13.521 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.345 39.383 -15.283 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -8.008 38.946 -14.945 1.00 0.00 H new ATOM 1031 N VAL A 66 -5.332 40.233 -10.781 1.00 0.00 N ATOM 1032 CA VAL A 66 -5.174 40.780 -9.403 1.00 0.00 C ATOM 1033 C VAL A 66 -4.283 42.020 -9.449 1.00 0.00 C ATOM 1034 O VAL A 66 -3.277 42.050 -10.129 1.00 0.00 O ATOM 1035 CB VAL A 66 -4.533 39.725 -8.499 1.00 0.00 C ATOM 1036 CG1 VAL A 66 -3.354 39.080 -9.228 1.00 0.00 C ATOM 1037 CG2 VAL A 66 -4.035 40.390 -7.213 1.00 0.00 C ATOM 0 H VAL A 66 -4.487 40.240 -11.352 1.00 0.00 H new ATOM 0 HA VAL A 66 -6.153 41.047 -9.006 1.00 0.00 H new ATOM 0 HB VAL A 66 -5.270 38.961 -8.251 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -2.896 38.328 -8.585 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -3.707 38.607 -10.144 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -2.617 39.844 -9.475 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -3.578 39.639 -6.568 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -3.297 41.153 -7.460 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -4.875 40.852 -6.693 1.00 0.00 H new ATOM 1047 N LYS A 67 -4.646 43.041 -8.727 1.00 0.00 N ATOM 1048 CA LYS A 67 -3.819 44.280 -8.727 1.00 0.00 C ATOM 1049 C LYS A 67 -3.387 44.610 -7.296 1.00 0.00 C ATOM 1050 O LYS A 67 -4.176 44.571 -6.372 1.00 0.00 O ATOM 1051 CB LYS A 67 -4.633 45.442 -9.298 1.00 0.00 C ATOM 1052 CG LYS A 67 -4.701 45.317 -10.822 1.00 0.00 C ATOM 1053 CD LYS A 67 -5.581 46.434 -11.386 1.00 0.00 C ATOM 1054 CE LYS A 67 -6.007 46.077 -12.811 1.00 0.00 C ATOM 1055 NZ LYS A 67 -5.868 47.275 -13.686 1.00 0.00 N ATOM 0 H LYS A 67 -5.478 43.072 -8.137 1.00 0.00 H new ATOM 0 HA LYS A 67 -2.934 44.122 -9.344 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -5.638 45.437 -8.877 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -4.175 46.392 -9.020 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -3.699 45.378 -11.248 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -5.107 44.344 -11.100 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.460 46.572 -10.756 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.035 47.378 -11.384 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.392 45.262 -13.192 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.039 45.727 -12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.109 47.020 -14.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.510 48.023 -13.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.887 47.620 -13.649 1.00 0.00 H new ATOM 1069 N SER A 68 -2.137 44.931 -7.111 1.00 0.00 N ATOM 1070 CA SER A 68 -1.637 45.263 -5.749 1.00 0.00 C ATOM 1071 C SER A 68 -1.147 46.711 -5.733 1.00 0.00 C ATOM 1072 O SER A 68 -0.612 47.204 -6.707 1.00 0.00 O ATOM 1073 CB SER A 68 -0.474 44.333 -5.398 1.00 0.00 C ATOM 1074 OG SER A 68 -0.322 44.276 -3.988 1.00 0.00 O ATOM 0 H SER A 68 -1.436 44.978 -7.850 1.00 0.00 H new ATOM 0 HA SER A 68 -2.439 45.138 -5.022 1.00 0.00 H new ATOM 0 HB2 SER A 68 -0.660 43.335 -5.795 1.00 0.00 H new ATOM 0 HB3 SER A 68 0.446 44.693 -5.859 1.00 0.00 H new ATOM 0 HG SER A 68 0.410 43.664 -3.762 1.00 0.00 H new ATOM 1080 N SER A 69 -1.322 47.398 -4.640 1.00 0.00 N ATOM 1081 CA SER A 69 -0.860 48.811 -4.576 1.00 0.00 C ATOM 1082 C SER A 69 0.670 48.844 -4.595 1.00 0.00 C ATOM 1083 O SER A 69 1.276 49.865 -4.850 1.00 0.00 O ATOM 1084 CB SER A 69 -1.371 49.460 -3.288 1.00 0.00 C ATOM 1085 OG SER A 69 -2.790 49.418 -3.268 1.00 0.00 O ATOM 0 H SER A 69 -1.763 47.044 -3.791 1.00 0.00 H new ATOM 0 HA SER A 69 -1.248 49.361 -5.434 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.969 48.937 -2.420 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.026 50.492 -3.226 1.00 0.00 H new ATOM 0 HG SER A 69 -3.118 49.832 -2.442 1.00 0.00 H new ATOM 1091 N LYS A 70 1.296 47.730 -4.329 1.00 0.00 N ATOM 1092 CA LYS A 70 2.784 47.690 -4.332 1.00 0.00 C ATOM 1093 C LYS A 70 3.265 46.760 -5.448 1.00 0.00 C ATOM 1094 O LYS A 70 2.476 46.133 -6.127 1.00 0.00 O ATOM 1095 CB LYS A 70 3.278 47.169 -2.983 1.00 0.00 C ATOM 1096 CG LYS A 70 3.982 48.297 -2.229 1.00 0.00 C ATOM 1097 CD LYS A 70 2.974 49.021 -1.333 1.00 0.00 C ATOM 1098 CE LYS A 70 3.182 48.588 0.120 1.00 0.00 C ATOM 1099 NZ LYS A 70 1.857 48.427 0.784 1.00 0.00 N ATOM 0 H LYS A 70 0.839 46.845 -4.109 1.00 0.00 H new ATOM 0 HA LYS A 70 3.178 48.692 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 70 2.439 46.793 -2.397 1.00 0.00 H new ATOM 0 HB3 LYS A 70 3.962 46.334 -3.132 1.00 0.00 H new ATOM 0 HG2 LYS A 70 4.796 47.893 -1.626 1.00 0.00 H new ATOM 0 HG3 LYS A 70 4.426 48.999 -2.935 1.00 0.00 H new ATOM 0 HD2 LYS A 70 3.099 50.100 -1.424 1.00 0.00 H new ATOM 0 HD3 LYS A 70 1.957 48.790 -1.651 1.00 0.00 H new ATOM 0 HE2 LYS A 70 3.735 47.649 0.156 1.00 0.00 H new ATOM 0 HE3 LYS A 70 3.779 49.330 0.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 1.997 48.133 1.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 1.345 49.332 0.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 1.303 47.704 0.283 1.00 0.00 H new ATOM 1113 N PRO A 71 4.589 46.669 -5.636 1.00 0.00 N ATOM 1114 CA PRO A 71 5.186 45.814 -6.669 1.00 0.00 C ATOM 1115 C PRO A 71 5.027 44.327 -6.336 1.00 0.00 C ATOM 1116 O PRO A 71 5.222 43.910 -5.211 1.00 0.00 O ATOM 1117 CB PRO A 71 6.663 46.202 -6.647 1.00 0.00 C ATOM 1118 CG PRO A 71 6.892 46.731 -5.271 1.00 0.00 C ATOM 1119 CD PRO A 71 5.609 47.393 -4.857 1.00 0.00 C ATOM 0 HA PRO A 71 4.712 45.953 -7.641 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.302 45.343 -6.853 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.887 46.954 -7.403 1.00 0.00 H new ATOM 0 HG2 PRO A 71 7.154 45.927 -4.584 1.00 0.00 H new ATOM 0 HG3 PRO A 71 7.718 47.442 -5.260 1.00 0.00 H new ATOM 0 HD2 PRO A 71 5.437 47.301 -3.785 1.00 0.00 H new ATOM 0 HD3 PRO A 71 5.612 48.458 -5.089 1.00 0.00 H new ATOM 1127 N LEU A 72 4.675 43.525 -7.304 1.00 0.00 N ATOM 1128 CA LEU A 72 4.503 42.069 -7.039 1.00 0.00 C ATOM 1129 C LEU A 72 5.864 41.437 -6.743 1.00 0.00 C ATOM 1130 O LEU A 72 6.848 41.712 -7.400 1.00 0.00 O ATOM 1131 CB LEU A 72 3.880 41.394 -8.263 1.00 0.00 C ATOM 1132 CG LEU A 72 2.616 42.152 -8.674 1.00 0.00 C ATOM 1133 CD1 LEU A 72 2.386 41.981 -10.177 1.00 0.00 C ATOM 1134 CD2 LEU A 72 1.415 41.594 -7.907 1.00 0.00 C ATOM 0 H LEU A 72 4.499 43.815 -8.266 1.00 0.00 H new ATOM 0 HA LEU A 72 3.847 41.934 -6.179 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.593 41.381 -9.087 1.00 0.00 H new ATOM 0 HB3 LEU A 72 3.637 40.356 -8.035 1.00 0.00 H new ATOM 0 HG LEU A 72 2.735 43.211 -8.443 1.00 0.00 H new ATOM 0 HD11 LEU A 72 1.486 42.521 -10.471 1.00 0.00 H new ATOM 0 HD12 LEU A 72 3.242 42.378 -10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.267 40.923 -10.409 1.00 0.00 H new ATOM 0 HD21 LEU A 72 0.514 42.134 -8.199 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.295 40.536 -8.138 1.00 0.00 H new ATOM 0 HD23 LEU A 72 1.579 41.715 -6.836 1.00 0.00 H new ATOM 1146 N VAL A 73 5.922 40.594 -5.749 1.00 0.00 N ATOM 1147 CA VAL A 73 7.210 39.936 -5.392 1.00 0.00 C ATOM 1148 C VAL A 73 7.018 38.419 -5.368 1.00 0.00 C ATOM 1149 O VAL A 73 6.153 37.904 -4.687 1.00 0.00 O ATOM 1150 CB VAL A 73 7.656 40.414 -4.008 1.00 0.00 C ATOM 1151 CG1 VAL A 73 9.088 39.946 -3.745 1.00 0.00 C ATOM 1152 CG2 VAL A 73 7.600 41.942 -3.953 1.00 0.00 C ATOM 0 H VAL A 73 5.128 40.331 -5.166 1.00 0.00 H new ATOM 0 HA VAL A 73 7.969 40.194 -6.131 1.00 0.00 H new ATOM 0 HB VAL A 73 6.993 39.999 -3.249 1.00 0.00 H new ATOM 0 HG11 VAL A 73 9.407 40.286 -2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 73 9.128 38.857 -3.784 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.751 40.361 -4.504 1.00 0.00 H new ATOM 0 HG21 VAL A 73 7.918 42.282 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 73 8.263 42.358 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.579 42.276 -4.141 1.00 0.00 H new ATOM 1162 N GLY A 74 7.820 37.699 -6.103 1.00 0.00 N ATOM 1163 CA GLY A 74 7.684 36.215 -6.119 1.00 0.00 C ATOM 1164 C GLY A 74 8.631 35.607 -5.082 1.00 0.00 C ATOM 1165 O GLY A 74 9.515 36.268 -4.575 1.00 0.00 O ATOM 0 H GLY A 74 8.563 38.074 -6.693 1.00 0.00 H new ATOM 0 HA2 GLY A 74 6.655 35.931 -5.899 1.00 0.00 H new ATOM 0 HA3 GLY A 74 7.916 35.828 -7.111 1.00 0.00 H new ATOM 1169 N PRO A 75 8.438 34.318 -4.763 1.00 0.00 N ATOM 1170 CA PRO A 75 7.375 33.498 -5.364 1.00 0.00 C ATOM 1171 C PRO A 75 5.982 33.945 -4.913 1.00 0.00 C ATOM 1172 O PRO A 75 5.785 34.396 -3.803 1.00 0.00 O ATOM 1173 CB PRO A 75 7.674 32.091 -4.852 1.00 0.00 C ATOM 1174 CG PRO A 75 8.433 32.307 -3.585 1.00 0.00 C ATOM 1175 CD PRO A 75 9.240 33.558 -3.790 1.00 0.00 C ATOM 0 HA PRO A 75 7.366 33.573 -6.451 1.00 0.00 H new ATOM 0 HB2 PRO A 75 6.756 31.530 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 75 8.260 31.522 -5.574 1.00 0.00 H new ATOM 0 HG2 PRO A 75 7.755 32.415 -2.738 1.00 0.00 H new ATOM 0 HG3 PRO A 75 9.080 31.457 -3.369 1.00 0.00 H new ATOM 0 HD2 PRO A 75 9.372 34.109 -2.859 1.00 0.00 H new ATOM 0 HD3 PRO A 75 10.236 33.337 -4.174 1.00 0.00 H new ATOM 1183 N PHE A 76 5.016 33.831 -5.784 1.00 0.00 N ATOM 1184 CA PHE A 76 3.631 34.257 -5.441 1.00 0.00 C ATOM 1185 C PHE A 76 2.849 33.091 -4.832 1.00 0.00 C ATOM 1186 O PHE A 76 3.054 31.942 -5.174 1.00 0.00 O ATOM 1187 CB PHE A 76 2.925 34.719 -6.717 1.00 0.00 C ATOM 1188 CG PHE A 76 3.637 35.929 -7.273 1.00 0.00 C ATOM 1189 CD1 PHE A 76 3.533 37.163 -6.621 1.00 0.00 C ATOM 1190 CD2 PHE A 76 4.402 35.815 -8.439 1.00 0.00 C ATOM 1191 CE1 PHE A 76 4.194 38.284 -7.136 1.00 0.00 C ATOM 1192 CE2 PHE A 76 5.064 36.936 -8.955 1.00 0.00 C ATOM 1193 CZ PHE A 76 4.959 38.171 -8.303 1.00 0.00 C ATOM 0 H PHE A 76 5.129 33.458 -6.726 1.00 0.00 H new ATOM 0 HA PHE A 76 3.677 35.069 -4.715 1.00 0.00 H new ATOM 0 HB2 PHE A 76 2.919 33.916 -7.454 1.00 0.00 H new ATOM 0 HB3 PHE A 76 1.884 34.962 -6.503 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.943 37.250 -5.721 1.00 0.00 H new ATOM 0 HD2 PHE A 76 4.482 34.862 -8.941 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.114 39.236 -6.633 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.655 36.848 -9.855 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.468 39.036 -8.701 1.00 0.00 H new ATOM 1203 N ASN A 77 1.938 33.384 -3.942 1.00 0.00 N ATOM 1204 CA ASN A 77 1.120 32.304 -3.320 1.00 0.00 C ATOM 1205 C ASN A 77 -0.321 32.423 -3.824 1.00 0.00 C ATOM 1206 O ASN A 77 -0.819 33.511 -4.041 1.00 0.00 O ATOM 1207 CB ASN A 77 1.145 32.456 -1.798 1.00 0.00 C ATOM 1208 CG ASN A 77 2.592 32.599 -1.324 1.00 0.00 C ATOM 1209 OD1 ASN A 77 3.268 31.616 -1.092 1.00 0.00 O ATOM 1210 ND2 ASN A 77 3.102 33.790 -1.170 1.00 0.00 N ATOM 0 H ASN A 77 1.725 34.328 -3.619 1.00 0.00 H new ATOM 0 HA ASN A 77 1.527 31.329 -3.589 1.00 0.00 H new ATOM 0 HB2 ASN A 77 0.565 33.329 -1.499 1.00 0.00 H new ATOM 0 HB3 ASN A 77 0.681 31.589 -1.328 1.00 0.00 H new ATOM 0 HD21 ASN A 77 4.067 33.895 -0.855 1.00 0.00 H new ATOM 0 HD22 ASN A 77 2.536 34.616 -1.364 1.00 0.00 H new ATOM 1217 N PHE A 78 -0.998 31.324 -4.023 1.00 0.00 N ATOM 1218 CA PHE A 78 -2.402 31.400 -4.523 1.00 0.00 C ATOM 1219 C PHE A 78 -3.296 30.434 -3.741 1.00 0.00 C ATOM 1220 O PHE A 78 -3.032 29.250 -3.674 1.00 0.00 O ATOM 1221 CB PHE A 78 -2.438 31.018 -6.003 1.00 0.00 C ATOM 1222 CG PHE A 78 -1.599 31.984 -6.805 1.00 0.00 C ATOM 1223 CD1 PHE A 78 -0.205 31.855 -6.819 1.00 0.00 C ATOM 1224 CD2 PHE A 78 -2.216 33.005 -7.538 1.00 0.00 C ATOM 1225 CE1 PHE A 78 0.572 32.748 -7.566 1.00 0.00 C ATOM 1226 CE2 PHE A 78 -1.439 33.898 -8.285 1.00 0.00 C ATOM 1227 CZ PHE A 78 -0.044 33.770 -8.299 1.00 0.00 C ATOM 0 H PHE A 78 -0.642 30.382 -3.862 1.00 0.00 H new ATOM 0 HA PHE A 78 -2.766 32.419 -4.389 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -2.064 30.003 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.466 31.029 -6.365 1.00 0.00 H new ATOM 0 HD1 PHE A 78 0.270 31.067 -6.254 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -3.291 33.104 -7.527 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.647 32.649 -7.577 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -1.915 34.686 -8.850 1.00 0.00 H new ATOM 0 HZ PHE A 78 0.556 34.459 -8.875 1.00 0.00 H new ATOM 1237 N ARG A 79 -4.365 30.922 -3.169 1.00 0.00 N ATOM 1238 CA ARG A 79 -5.281 30.018 -2.419 1.00 0.00 C ATOM 1239 C ARG A 79 -6.542 29.803 -3.257 1.00 0.00 C ATOM 1240 O ARG A 79 -7.017 30.702 -3.922 1.00 0.00 O ATOM 1241 CB ARG A 79 -5.646 30.635 -1.068 1.00 0.00 C ATOM 1242 CG ARG A 79 -6.286 29.570 -0.177 1.00 0.00 C ATOM 1243 CD ARG A 79 -6.473 30.130 1.234 1.00 0.00 C ATOM 1244 NE ARG A 79 -7.399 31.296 1.188 1.00 0.00 N ATOM 1245 CZ ARG A 79 -8.488 31.294 1.906 1.00 0.00 C ATOM 1246 NH1 ARG A 79 -8.483 30.758 3.097 1.00 0.00 N ATOM 1247 NH2 ARG A 79 -9.583 31.826 1.435 1.00 0.00 N ATOM 0 H ARG A 79 -4.641 31.904 -3.189 1.00 0.00 H new ATOM 0 HA ARG A 79 -4.789 29.063 -2.234 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.755 31.038 -0.588 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -6.335 31.467 -1.211 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -7.248 29.266 -0.589 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -5.657 28.680 -0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -6.874 29.359 1.892 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -5.511 30.433 1.647 1.00 0.00 H new ATOM 0 HE ARG A 79 -7.181 32.097 0.595 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -7.628 30.341 3.465 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -9.334 30.756 3.659 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.588 32.244 0.505 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -10.434 31.824 1.997 1.00 0.00 H new ATOM 1261 N PHE A 80 -7.070 28.610 -3.258 1.00 0.00 N ATOM 1262 CA PHE A 80 -8.278 28.332 -4.084 1.00 0.00 C ATOM 1263 C PHE A 80 -9.430 27.823 -3.219 1.00 0.00 C ATOM 1264 O PHE A 80 -9.239 27.054 -2.300 1.00 0.00 O ATOM 1265 CB PHE A 80 -7.939 27.247 -5.104 1.00 0.00 C ATOM 1266 CG PHE A 80 -7.280 27.863 -6.314 1.00 0.00 C ATOM 1267 CD1 PHE A 80 -6.156 28.681 -6.159 1.00 0.00 C ATOM 1268 CD2 PHE A 80 -7.792 27.610 -7.593 1.00 0.00 C ATOM 1269 CE1 PHE A 80 -5.541 29.247 -7.282 1.00 0.00 C ATOM 1270 CE2 PHE A 80 -7.178 28.177 -8.715 1.00 0.00 C ATOM 1271 CZ PHE A 80 -6.052 28.995 -8.561 1.00 0.00 C ATOM 0 H PHE A 80 -6.717 27.816 -2.723 1.00 0.00 H new ATOM 0 HA PHE A 80 -8.579 29.258 -4.573 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -7.275 26.509 -4.655 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -8.846 26.721 -5.402 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.762 28.876 -5.172 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -8.660 26.978 -7.713 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -4.673 29.878 -7.162 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -7.573 27.983 -9.701 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.578 29.431 -9.428 1.00 0.00 H new ATOM 1281 N MET A 81 -10.631 28.226 -3.527 1.00 0.00 N ATOM 1282 CA MET A 81 -11.803 27.741 -2.747 1.00 0.00 C ATOM 1283 C MET A 81 -12.812 27.131 -3.723 1.00 0.00 C ATOM 1284 O MET A 81 -13.230 27.759 -4.675 1.00 0.00 O ATOM 1285 CB MET A 81 -12.441 28.897 -1.975 1.00 0.00 C ATOM 1286 CG MET A 81 -13.821 28.473 -1.466 1.00 0.00 C ATOM 1287 SD MET A 81 -14.590 29.855 -0.587 1.00 0.00 S ATOM 1288 CE MET A 81 -14.554 29.122 1.067 1.00 0.00 C ATOM 0 H MET A 81 -10.852 28.871 -4.286 1.00 0.00 H new ATOM 0 HA MET A 81 -11.485 26.990 -2.024 1.00 0.00 H new ATOM 0 HB2 MET A 81 -11.805 29.183 -1.137 1.00 0.00 H new ATOM 0 HB3 MET A 81 -12.532 29.772 -2.619 1.00 0.00 H new ATOM 0 HG2 MET A 81 -14.450 28.164 -2.301 1.00 0.00 H new ATOM 0 HG3 MET A 81 -13.727 27.613 -0.803 1.00 0.00 H new ATOM 0 HE1 MET A 81 -15.565 29.088 1.472 1.00 0.00 H new ATOM 0 HE2 MET A 81 -14.153 28.110 1.008 1.00 0.00 H new ATOM 0 HE3 MET A 81 -13.922 29.725 1.719 1.00 0.00 H new ATOM 1298 N SER A 82 -13.180 25.895 -3.508 1.00 0.00 N ATOM 1299 CA SER A 82 -14.131 25.227 -4.439 1.00 0.00 C ATOM 1300 C SER A 82 -15.548 25.757 -4.222 1.00 0.00 C ATOM 1301 O SER A 82 -15.951 26.035 -3.108 1.00 0.00 O ATOM 1302 CB SER A 82 -14.116 23.720 -4.176 1.00 0.00 C ATOM 1303 OG SER A 82 -14.868 23.437 -3.004 1.00 0.00 O ATOM 0 H SER A 82 -12.862 25.321 -2.727 1.00 0.00 H new ATOM 0 HA SER A 82 -13.827 25.434 -5.465 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.537 23.187 -5.029 1.00 0.00 H new ATOM 0 HB3 SER A 82 -13.090 23.371 -4.056 1.00 0.00 H new ATOM 0 HG SER A 82 -15.519 22.730 -3.196 1.00 0.00 H new ATOM 1309 N LYS A 83 -16.312 25.880 -5.272 1.00 0.00 N ATOM 1310 CA LYS A 83 -17.711 26.373 -5.121 1.00 0.00 C ATOM 1311 C LYS A 83 -18.376 25.633 -3.957 1.00 0.00 C ATOM 1312 O LYS A 83 -19.044 26.223 -3.130 1.00 0.00 O ATOM 1313 CB LYS A 83 -18.495 26.108 -6.409 1.00 0.00 C ATOM 1314 CG LYS A 83 -17.807 26.809 -7.584 1.00 0.00 C ATOM 1315 CD LYS A 83 -18.732 26.788 -8.803 1.00 0.00 C ATOM 1316 CE LYS A 83 -18.218 27.779 -9.849 1.00 0.00 C ATOM 1317 NZ LYS A 83 -17.099 27.159 -10.613 1.00 0.00 N ATOM 0 H LYS A 83 -16.029 25.661 -6.227 1.00 0.00 H new ATOM 0 HA LYS A 83 -17.702 27.445 -4.923 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -18.554 25.036 -6.596 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -19.518 26.470 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -17.564 27.837 -7.316 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -16.867 26.310 -7.819 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -18.772 25.784 -9.226 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -19.748 27.049 -8.507 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -19.024 28.059 -10.527 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -17.878 28.693 -9.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.199 27.593 -10.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -17.069 26.138 -10.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.246 27.313 -11.631 1.00 0.00 H new ATOM 1331 N GLY A 84 -18.200 24.340 -3.892 1.00 0.00 N ATOM 1332 CA GLY A 84 -18.819 23.546 -2.788 1.00 0.00 C ATOM 1333 C GLY A 84 -18.377 24.094 -1.426 1.00 0.00 C ATOM 1334 O GLY A 84 -18.822 23.639 -0.392 1.00 0.00 O ATOM 0 H GLY A 84 -17.652 23.796 -4.559 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -19.905 23.585 -2.868 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -18.530 22.499 -2.878 1.00 0.00 H new ATOM 1338 N GLY A 85 -17.515 25.075 -1.413 1.00 0.00 N ATOM 1339 CA GLY A 85 -17.065 25.652 -0.115 1.00 0.00 C ATOM 1340 C GLY A 85 -15.772 24.976 0.341 1.00 0.00 C ATOM 1341 O GLY A 85 -15.452 24.960 1.513 1.00 0.00 O ATOM 0 H GLY A 85 -17.104 25.501 -2.244 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -16.906 26.725 -0.221 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -17.840 25.518 0.640 1.00 0.00 H new ATOM 1345 N MET A 86 -15.014 24.430 -0.570 1.00 0.00 N ATOM 1346 CA MET A 86 -13.736 23.773 -0.166 1.00 0.00 C ATOM 1347 C MET A 86 -12.591 24.753 -0.404 1.00 0.00 C ATOM 1348 O MET A 86 -12.662 25.595 -1.271 1.00 0.00 O ATOM 1349 CB MET A 86 -13.513 22.505 -0.994 1.00 0.00 C ATOM 1350 CG MET A 86 -14.778 21.645 -0.964 1.00 0.00 C ATOM 1351 SD MET A 86 -14.322 19.916 -0.687 1.00 0.00 S ATOM 1352 CE MET A 86 -13.146 19.771 -2.055 1.00 0.00 C ATOM 0 H MET A 86 -15.221 24.409 -1.569 1.00 0.00 H new ATOM 0 HA MET A 86 -13.779 23.496 0.887 1.00 0.00 H new ATOM 0 HB2 MET A 86 -13.264 22.769 -2.022 1.00 0.00 H new ATOM 0 HB3 MET A 86 -12.669 21.942 -0.596 1.00 0.00 H new ATOM 0 HG2 MET A 86 -15.446 21.988 -0.173 1.00 0.00 H new ATOM 0 HG3 MET A 86 -15.321 21.743 -1.904 1.00 0.00 H new ATOM 0 HE1 MET A 86 -13.611 19.229 -2.879 1.00 0.00 H new ATOM 0 HE2 MET A 86 -12.856 20.766 -2.393 1.00 0.00 H new ATOM 0 HE3 MET A 86 -12.261 19.230 -1.719 1.00 0.00 H new ATOM 1362 N ARG A 87 -11.543 24.675 0.368 1.00 0.00 N ATOM 1363 CA ARG A 87 -10.420 25.634 0.173 1.00 0.00 C ATOM 1364 C ARG A 87 -9.100 24.886 -0.022 1.00 0.00 C ATOM 1365 O ARG A 87 -8.830 23.892 0.622 1.00 0.00 O ATOM 1366 CB ARG A 87 -10.312 26.540 1.400 1.00 0.00 C ATOM 1367 CG ARG A 87 -11.538 27.454 1.466 1.00 0.00 C ATOM 1368 CD ARG A 87 -11.374 28.448 2.618 1.00 0.00 C ATOM 1369 NE ARG A 87 -10.994 27.713 3.857 1.00 0.00 N ATOM 1370 CZ ARG A 87 -11.699 26.686 4.249 1.00 0.00 C ATOM 1371 NH1 ARG A 87 -12.996 26.785 4.350 1.00 0.00 N ATOM 1372 NH2 ARG A 87 -11.105 25.561 4.540 1.00 0.00 N ATOM 0 H ARG A 87 -11.416 23.996 1.118 1.00 0.00 H new ATOM 0 HA ARG A 87 -10.618 26.231 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -10.245 25.938 2.306 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -9.402 27.137 1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -11.656 27.989 0.524 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -12.440 26.860 1.610 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -10.610 29.185 2.371 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -12.304 28.994 2.777 1.00 0.00 H new ATOM 0 HE ARG A 87 -10.183 28.012 4.399 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -13.460 27.665 4.123 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -13.546 25.983 4.656 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -10.091 25.484 4.461 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -11.655 24.758 4.846 1.00 0.00 H new ATOM 1386 N ASN A 88 -8.267 25.382 -0.896 1.00 0.00 N ATOM 1387 CA ASN A 88 -6.947 24.740 -1.136 1.00 0.00 C ATOM 1388 C ASN A 88 -5.893 25.843 -1.233 1.00 0.00 C ATOM 1389 O ASN A 88 -6.144 26.901 -1.774 1.00 0.00 O ATOM 1390 CB ASN A 88 -6.988 23.943 -2.443 1.00 0.00 C ATOM 1391 CG ASN A 88 -8.205 23.016 -2.436 1.00 0.00 C ATOM 1392 OD1 ASN A 88 -9.092 23.153 -3.256 1.00 0.00 O ATOM 1393 ND2 ASN A 88 -8.287 22.072 -1.539 1.00 0.00 N ATOM 0 H ASN A 88 -8.448 26.213 -1.459 1.00 0.00 H new ATOM 0 HA ASN A 88 -6.705 24.058 -0.321 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -7.039 24.622 -3.294 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -6.074 23.360 -2.555 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -9.095 21.450 -1.526 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -7.543 21.956 -0.851 1.00 0.00 H new ATOM 1400 N VAL A 89 -4.725 25.626 -0.698 1.00 0.00 N ATOM 1401 CA VAL A 89 -3.684 26.692 -0.756 1.00 0.00 C ATOM 1402 C VAL A 89 -2.423 26.170 -1.444 1.00 0.00 C ATOM 1403 O VAL A 89 -1.966 25.075 -1.184 1.00 0.00 O ATOM 1404 CB VAL A 89 -3.333 27.134 0.667 1.00 0.00 C ATOM 1405 CG1 VAL A 89 -2.511 28.423 0.608 1.00 0.00 C ATOM 1406 CG2 VAL A 89 -4.618 27.383 1.458 1.00 0.00 C ATOM 0 H VAL A 89 -4.446 24.765 -0.227 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.075 27.535 -1.325 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.753 26.353 1.158 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -2.259 28.741 1.620 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -1.595 28.245 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.093 29.203 0.117 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -4.367 27.698 2.471 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -5.200 28.164 0.969 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -5.204 26.465 1.498 1.00 0.00 H new ATOM 1416 N PHE A 90 -1.847 26.962 -2.306 1.00 0.00 N ATOM 1417 CA PHE A 90 -0.601 26.534 -2.999 1.00 0.00 C ATOM 1418 C PHE A 90 0.484 27.577 -2.733 1.00 0.00 C ATOM 1419 O PHE A 90 0.325 28.742 -3.040 1.00 0.00 O ATOM 1420 CB PHE A 90 -0.846 26.427 -4.505 1.00 0.00 C ATOM 1421 CG PHE A 90 -2.074 25.587 -4.763 1.00 0.00 C ATOM 1422 CD1 PHE A 90 -3.340 26.182 -4.762 1.00 0.00 C ATOM 1423 CD2 PHE A 90 -1.943 24.215 -5.009 1.00 0.00 C ATOM 1424 CE1 PHE A 90 -4.479 25.404 -5.008 1.00 0.00 C ATOM 1425 CE2 PHE A 90 -3.082 23.437 -5.253 1.00 0.00 C ATOM 1426 CZ PHE A 90 -4.350 24.032 -5.253 1.00 0.00 C ATOM 0 H PHE A 90 -2.187 27.889 -2.560 1.00 0.00 H new ATOM 0 HA PHE A 90 -0.290 25.559 -2.625 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.977 27.421 -4.933 1.00 0.00 H new ATOM 0 HB3 PHE A 90 0.020 25.981 -4.993 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -3.439 27.240 -4.572 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.965 23.757 -5.011 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -5.457 25.863 -5.009 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -2.982 22.378 -5.441 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.228 23.432 -5.442 1.00 0.00 H new ATOM 1436 N ASP A 91 1.581 27.174 -2.157 1.00 0.00 N ATOM 1437 CA ASP A 91 2.664 28.153 -1.867 1.00 0.00 C ATOM 1438 C ASP A 91 3.733 28.079 -2.956 1.00 0.00 C ATOM 1439 O ASP A 91 4.011 27.030 -3.501 1.00 0.00 O ATOM 1440 CB ASP A 91 3.292 27.834 -0.509 1.00 0.00 C ATOM 1441 CG ASP A 91 2.299 28.176 0.604 1.00 0.00 C ATOM 1442 OD1 ASP A 91 1.357 28.899 0.329 1.00 0.00 O ATOM 1443 OD2 ASP A 91 2.500 27.709 1.714 1.00 0.00 O ATOM 0 H ASP A 91 1.774 26.213 -1.875 1.00 0.00 H new ATOM 0 HA ASP A 91 2.243 29.158 -1.845 1.00 0.00 H new ATOM 0 HB2 ASP A 91 3.561 26.779 -0.459 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.212 28.404 -0.379 1.00 0.00 H new ATOM 1448 N GLU A 92 4.342 29.189 -3.267 1.00 0.00 N ATOM 1449 CA GLU A 92 5.404 29.199 -4.308 1.00 0.00 C ATOM 1450 C GLU A 92 4.885 28.578 -5.606 1.00 0.00 C ATOM 1451 O GLU A 92 5.508 27.701 -6.170 1.00 0.00 O ATOM 1452 CB GLU A 92 6.605 28.395 -3.808 1.00 0.00 C ATOM 1453 CG GLU A 92 7.828 28.718 -4.669 1.00 0.00 C ATOM 1454 CD GLU A 92 8.942 27.715 -4.365 1.00 0.00 C ATOM 1455 OE1 GLU A 92 8.793 26.963 -3.417 1.00 0.00 O ATOM 1456 OE2 GLU A 92 9.926 27.716 -5.088 1.00 0.00 O ATOM 0 H GLU A 92 4.147 30.095 -2.841 1.00 0.00 H new ATOM 0 HA GLU A 92 5.699 30.230 -4.504 1.00 0.00 H new ATOM 0 HB2 GLU A 92 6.808 28.635 -2.764 1.00 0.00 H new ATOM 0 HB3 GLU A 92 6.386 27.328 -3.853 1.00 0.00 H new ATOM 0 HG2 GLU A 92 7.564 28.676 -5.726 1.00 0.00 H new ATOM 0 HG3 GLU A 92 8.172 29.732 -4.466 1.00 0.00 H new ATOM 1463 N VAL A 93 3.760 29.025 -6.099 1.00 0.00 N ATOM 1464 CA VAL A 93 3.236 28.449 -7.370 1.00 0.00 C ATOM 1465 C VAL A 93 3.934 29.129 -8.550 1.00 0.00 C ATOM 1466 O VAL A 93 4.191 28.519 -9.569 1.00 0.00 O ATOM 1467 CB VAL A 93 1.727 28.692 -7.460 1.00 0.00 C ATOM 1468 CG1 VAL A 93 1.219 28.238 -8.831 1.00 0.00 C ATOM 1469 CG2 VAL A 93 1.015 27.898 -6.365 1.00 0.00 C ATOM 0 H VAL A 93 3.187 29.757 -5.680 1.00 0.00 H new ATOM 0 HA VAL A 93 3.429 27.376 -7.395 1.00 0.00 H new ATOM 0 HB VAL A 93 1.522 29.755 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 93 0.145 28.410 -8.896 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.726 28.804 -9.613 1.00 0.00 H new ATOM 0 HG13 VAL A 93 1.424 27.176 -8.962 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.059 28.072 -6.430 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.219 26.835 -6.495 1.00 0.00 H new ATOM 0 HG23 VAL A 93 1.376 28.220 -5.388 1.00 0.00 H new ATOM 1479 N ILE A 94 4.249 30.389 -8.417 1.00 0.00 N ATOM 1480 CA ILE A 94 4.938 31.110 -9.523 1.00 0.00 C ATOM 1481 C ILE A 94 6.074 31.955 -8.941 1.00 0.00 C ATOM 1482 O ILE A 94 5.874 32.731 -8.029 1.00 0.00 O ATOM 1483 CB ILE A 94 3.939 32.019 -10.243 1.00 0.00 C ATOM 1484 CG1 ILE A 94 2.694 31.211 -10.619 1.00 0.00 C ATOM 1485 CG2 ILE A 94 4.584 32.581 -11.511 1.00 0.00 C ATOM 1486 CD1 ILE A 94 1.795 32.050 -11.530 1.00 0.00 C ATOM 0 H ILE A 94 4.058 30.951 -7.587 1.00 0.00 H new ATOM 0 HA ILE A 94 5.344 30.390 -10.233 1.00 0.00 H new ATOM 0 HB ILE A 94 3.655 32.840 -9.585 1.00 0.00 H new ATOM 0 HG12 ILE A 94 2.984 30.290 -11.125 1.00 0.00 H new ATOM 0 HG13 ILE A 94 2.150 30.922 -9.720 1.00 0.00 H new ATOM 0 HG21 ILE A 94 3.873 33.229 -12.024 1.00 0.00 H new ATOM 0 HG22 ILE A 94 5.471 33.155 -11.244 1.00 0.00 H new ATOM 0 HG23 ILE A 94 4.868 31.760 -12.169 1.00 0.00 H new ATOM 0 HD11 ILE A 94 0.909 31.474 -11.797 1.00 0.00 H new ATOM 0 HD12 ILE A 94 1.494 32.958 -11.008 1.00 0.00 H new ATOM 0 HD13 ILE A 94 2.341 32.316 -12.435 1.00 0.00 H new ATOM 1498 N PRO A 95 7.293 31.790 -9.476 1.00 0.00 N ATOM 1499 CA PRO A 95 8.469 32.531 -9.005 1.00 0.00 C ATOM 1500 C PRO A 95 8.403 34.013 -9.384 1.00 0.00 C ATOM 1501 O PRO A 95 7.664 34.408 -10.264 1.00 0.00 O ATOM 1502 CB PRO A 95 9.633 31.854 -9.728 1.00 0.00 C ATOM 1503 CG PRO A 95 9.022 31.264 -10.954 1.00 0.00 C ATOM 1504 CD PRO A 95 7.619 30.872 -10.582 1.00 0.00 C ATOM 0 HA PRO A 95 8.555 32.510 -7.919 1.00 0.00 H new ATOM 0 HB2 PRO A 95 10.414 32.571 -9.980 1.00 0.00 H new ATOM 0 HB3 PRO A 95 10.094 31.087 -9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.020 31.984 -11.772 1.00 0.00 H new ATOM 0 HG3 PRO A 95 9.590 30.398 -11.293 1.00 0.00 H new ATOM 0 HD2 PRO A 95 6.932 30.992 -11.420 1.00 0.00 H new ATOM 0 HD3 PRO A 95 7.562 29.829 -10.270 1.00 0.00 H new ATOM 1512 N THR A 96 9.168 34.837 -8.721 1.00 0.00 N ATOM 1513 CA THR A 96 9.150 36.294 -9.033 1.00 0.00 C ATOM 1514 C THR A 96 9.363 36.504 -10.534 1.00 0.00 C ATOM 1515 O THR A 96 8.678 37.286 -11.162 1.00 0.00 O ATOM 1516 CB THR A 96 10.266 36.997 -8.256 1.00 0.00 C ATOM 1517 OG1 THR A 96 10.166 36.659 -6.880 1.00 0.00 O ATOM 1518 CG2 THR A 96 10.133 38.511 -8.423 1.00 0.00 C ATOM 0 H THR A 96 9.807 34.563 -7.974 1.00 0.00 H new ATOM 0 HA THR A 96 8.186 36.712 -8.744 1.00 0.00 H new ATOM 0 HB THR A 96 11.234 36.677 -8.640 1.00 0.00 H new ATOM 0 HG1 THR A 96 10.880 37.107 -6.380 1.00 0.00 H new ATOM 0 HG21 THR A 96 10.928 39.009 -7.869 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.210 38.769 -9.479 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.166 38.836 -8.040 1.00 0.00 H new ATOM 1526 N ALA A 97 10.308 35.817 -11.116 1.00 0.00 N ATOM 1527 CA ALA A 97 10.555 35.991 -12.575 1.00 0.00 C ATOM 1528 C ALA A 97 9.713 34.983 -13.357 1.00 0.00 C ATOM 1529 O ALA A 97 10.042 33.816 -13.436 1.00 0.00 O ATOM 1530 CB ALA A 97 12.038 35.761 -12.875 1.00 0.00 C ATOM 0 H ALA A 97 10.917 35.146 -10.647 1.00 0.00 H new ATOM 0 HA ALA A 97 10.279 37.003 -12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 97 12.217 35.889 -13.943 1.00 0.00 H new ATOM 0 HB2 ALA A 97 12.638 36.481 -12.318 1.00 0.00 H new ATOM 0 HB3 ALA A 97 12.317 34.750 -12.579 1.00 0.00 H new ATOM 1536 N PHE A 98 8.627 35.418 -13.934 1.00 0.00 N ATOM 1537 CA PHE A 98 7.769 34.476 -14.706 1.00 0.00 C ATOM 1538 C PHE A 98 7.850 34.815 -16.195 1.00 0.00 C ATOM 1539 O PHE A 98 8.079 35.946 -16.574 1.00 0.00 O ATOM 1540 CB PHE A 98 6.319 34.601 -14.233 1.00 0.00 C ATOM 1541 CG PHE A 98 5.832 36.011 -14.467 1.00 0.00 C ATOM 1542 CD1 PHE A 98 5.315 36.374 -15.717 1.00 0.00 C ATOM 1543 CD2 PHE A 98 5.895 36.954 -13.435 1.00 0.00 C ATOM 1544 CE1 PHE A 98 4.863 37.679 -15.934 1.00 0.00 C ATOM 1545 CE2 PHE A 98 5.442 38.261 -13.652 1.00 0.00 C ATOM 1546 CZ PHE A 98 4.926 38.623 -14.902 1.00 0.00 C ATOM 0 H PHE A 98 8.297 36.383 -13.904 1.00 0.00 H new ATOM 0 HA PHE A 98 8.117 33.455 -14.546 1.00 0.00 H new ATOM 0 HB2 PHE A 98 5.688 33.893 -14.770 1.00 0.00 H new ATOM 0 HB3 PHE A 98 6.248 34.351 -13.174 1.00 0.00 H new ATOM 0 HD1 PHE A 98 5.266 35.646 -16.513 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.293 36.674 -12.471 1.00 0.00 H new ATOM 0 HE1 PHE A 98 4.465 37.959 -16.898 1.00 0.00 H new ATOM 0 HE2 PHE A 98 5.491 38.989 -12.856 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.576 39.631 -15.070 1.00 0.00 H new ATOM 1556 N SER A 99 7.664 33.841 -17.044 1.00 0.00 N ATOM 1557 CA SER A 99 7.730 34.107 -18.508 1.00 0.00 C ATOM 1558 C SER A 99 6.318 34.076 -19.096 1.00 0.00 C ATOM 1559 O SER A 99 5.393 33.571 -18.490 1.00 0.00 O ATOM 1560 CB SER A 99 8.587 33.036 -19.183 1.00 0.00 C ATOM 1561 OG SER A 99 9.954 33.254 -18.868 1.00 0.00 O ATOM 0 H SER A 99 7.469 32.873 -16.787 1.00 0.00 H new ATOM 0 HA SER A 99 8.174 35.088 -18.679 1.00 0.00 H new ATOM 0 HB2 SER A 99 8.279 32.045 -18.849 1.00 0.00 H new ATOM 0 HB3 SER A 99 8.442 33.067 -20.263 1.00 0.00 H new ATOM 0 HG SER A 99 10.503 32.566 -19.299 1.00 0.00 H new ATOM 1567 N ILE A 100 6.144 34.611 -20.273 1.00 0.00 N ATOM 1568 CA ILE A 100 4.789 34.607 -20.893 1.00 0.00 C ATOM 1569 C ILE A 100 4.687 33.445 -21.882 1.00 0.00 C ATOM 1570 O ILE A 100 5.597 33.181 -22.642 1.00 0.00 O ATOM 1571 CB ILE A 100 4.555 35.927 -21.630 1.00 0.00 C ATOM 1572 CG1 ILE A 100 4.559 37.082 -20.624 1.00 0.00 C ATOM 1573 CG2 ILE A 100 3.203 35.877 -22.346 1.00 0.00 C ATOM 1574 CD1 ILE A 100 3.254 37.068 -19.826 1.00 0.00 C ATOM 0 H ILE A 100 6.878 35.049 -20.830 1.00 0.00 H new ATOM 0 HA ILE A 100 4.035 34.491 -20.114 1.00 0.00 H new ATOM 0 HB ILE A 100 5.348 36.081 -22.361 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.411 36.989 -19.950 1.00 0.00 H new ATOM 0 HG13 ILE A 100 4.668 38.033 -21.146 1.00 0.00 H new ATOM 0 HG21 ILE A 100 3.035 36.817 -22.872 1.00 0.00 H new ATOM 0 HG22 ILE A 100 3.201 35.055 -23.062 1.00 0.00 H new ATOM 0 HG23 ILE A 100 2.409 35.723 -21.615 1.00 0.00 H new ATOM 0 HD11 ILE A 100 3.257 37.890 -19.110 1.00 0.00 H new ATOM 0 HD12 ILE A 100 2.410 37.182 -20.506 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.164 36.122 -19.292 1.00 0.00 H new ATOM 1586 N GLY A 101 3.584 32.748 -21.879 1.00 0.00 N ATOM 1587 CA GLY A 101 3.424 31.604 -22.821 1.00 0.00 C ATOM 1588 C GLY A 101 3.783 30.298 -22.109 1.00 0.00 C ATOM 1589 O GLY A 101 3.853 29.249 -22.718 1.00 0.00 O ATOM 0 H GLY A 101 2.787 32.921 -21.266 1.00 0.00 H new ATOM 0 HA2 GLY A 101 2.398 31.561 -23.185 1.00 0.00 H new ATOM 0 HA3 GLY A 101 4.066 31.744 -23.691 1.00 0.00 H new ATOM 1593 N LYS A 102 4.009 30.349 -20.824 1.00 0.00 N ATOM 1594 CA LYS A 102 4.358 29.103 -20.083 1.00 0.00 C ATOM 1595 C LYS A 102 3.327 28.864 -18.979 1.00 0.00 C ATOM 1596 O LYS A 102 2.840 29.792 -18.364 1.00 0.00 O ATOM 1597 CB LYS A 102 5.749 29.247 -19.463 1.00 0.00 C ATOM 1598 CG LYS A 102 6.289 27.864 -19.094 1.00 0.00 C ATOM 1599 CD LYS A 102 7.201 27.357 -20.214 1.00 0.00 C ATOM 1600 CE LYS A 102 8.207 26.359 -19.639 1.00 0.00 C ATOM 1601 NZ LYS A 102 8.834 25.589 -20.751 1.00 0.00 N ATOM 0 H LYS A 102 3.967 31.196 -20.257 1.00 0.00 H new ATOM 0 HA LYS A 102 4.357 28.258 -20.772 1.00 0.00 H new ATOM 0 HB2 LYS A 102 6.423 29.737 -20.166 1.00 0.00 H new ATOM 0 HB3 LYS A 102 5.700 29.878 -18.576 1.00 0.00 H new ATOM 0 HG2 LYS A 102 6.842 27.916 -18.156 1.00 0.00 H new ATOM 0 HG3 LYS A 102 5.464 27.169 -18.940 1.00 0.00 H new ATOM 0 HD2 LYS A 102 6.607 26.882 -20.995 1.00 0.00 H new ATOM 0 HD3 LYS A 102 7.726 28.193 -20.677 1.00 0.00 H new ATOM 0 HE2 LYS A 102 8.973 26.886 -19.070 1.00 0.00 H new ATOM 0 HE3 LYS A 102 7.707 25.680 -18.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.518 24.910 -20.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 8.098 25.075 -21.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 9.324 26.244 -21.393 1.00 0.00 H new ATOM 1615 N THR A 103 2.984 27.629 -18.721 1.00 0.00 N ATOM 1616 CA THR A 103 1.981 27.353 -17.655 1.00 0.00 C ATOM 1617 C THR A 103 2.674 27.436 -16.294 1.00 0.00 C ATOM 1618 O THR A 103 3.864 27.663 -16.216 1.00 0.00 O ATOM 1619 CB THR A 103 1.406 25.947 -17.850 1.00 0.00 C ATOM 1620 OG1 THR A 103 1.092 25.753 -19.223 1.00 0.00 O ATOM 1621 CG2 THR A 103 0.139 25.787 -17.007 1.00 0.00 C ATOM 0 H THR A 103 3.353 26.807 -19.199 1.00 0.00 H new ATOM 0 HA THR A 103 1.173 28.083 -17.705 1.00 0.00 H new ATOM 0 HB THR A 103 2.142 25.207 -17.536 1.00 0.00 H new ATOM 0 HG1 THR A 103 0.725 24.853 -19.351 1.00 0.00 H new ATOM 0 HG21 THR A 103 -0.268 24.786 -17.148 1.00 0.00 H new ATOM 0 HG22 THR A 103 0.381 25.936 -15.955 1.00 0.00 H new ATOM 0 HG23 THR A 103 -0.600 26.526 -17.317 1.00 0.00 H new ATOM 1629 N TYR A 104 1.960 27.248 -15.217 1.00 0.00 N ATOM 1630 CA TYR A 104 2.614 27.311 -13.882 1.00 0.00 C ATOM 1631 C TYR A 104 1.685 26.686 -12.839 1.00 0.00 C ATOM 1632 O TYR A 104 0.808 27.335 -12.306 1.00 0.00 O ATOM 1633 CB TYR A 104 2.898 28.769 -13.522 1.00 0.00 C ATOM 1634 CG TYR A 104 4.192 29.193 -14.172 1.00 0.00 C ATOM 1635 CD1 TYR A 104 5.399 28.614 -13.763 1.00 0.00 C ATOM 1636 CD2 TYR A 104 4.185 30.160 -15.184 1.00 0.00 C ATOM 1637 CE1 TYR A 104 6.601 29.003 -14.366 1.00 0.00 C ATOM 1638 CE2 TYR A 104 5.388 30.549 -15.787 1.00 0.00 C ATOM 1639 CZ TYR A 104 6.595 29.970 -15.378 1.00 0.00 C ATOM 1640 OH TYR A 104 7.780 30.353 -15.973 1.00 0.00 O ATOM 0 H TYR A 104 0.959 27.055 -15.205 1.00 0.00 H new ATOM 0 HA TYR A 104 3.555 26.761 -13.904 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.081 29.406 -13.860 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.965 28.883 -12.440 1.00 0.00 H new ATOM 0 HD1 TYR A 104 5.403 27.867 -12.983 1.00 0.00 H new ATOM 0 HD2 TYR A 104 3.253 30.606 -15.500 1.00 0.00 H new ATOM 0 HE1 TYR A 104 7.533 28.557 -14.050 1.00 0.00 H new ATOM 0 HE2 TYR A 104 5.384 31.296 -16.567 1.00 0.00 H new ATOM 0 HH TYR A 104 7.588 30.840 -16.801 1.00 0.00 H new ATOM 1650 N LYS A 105 1.867 25.427 -12.553 1.00 0.00 N ATOM 1651 CA LYS A 105 0.990 24.751 -11.554 1.00 0.00 C ATOM 1652 C LYS A 105 1.768 24.530 -10.254 1.00 0.00 C ATOM 1653 O LYS A 105 2.980 24.607 -10.229 1.00 0.00 O ATOM 1654 CB LYS A 105 0.533 23.402 -12.114 1.00 0.00 C ATOM 1655 CG LYS A 105 1.751 22.500 -12.332 1.00 0.00 C ATOM 1656 CD LYS A 105 1.482 21.556 -13.506 1.00 0.00 C ATOM 1657 CE LYS A 105 2.231 22.055 -14.744 1.00 0.00 C ATOM 1658 NZ LYS A 105 1.626 21.454 -15.966 1.00 0.00 N ATOM 0 H LYS A 105 2.586 24.835 -12.968 1.00 0.00 H new ATOM 0 HA LYS A 105 0.120 25.375 -11.350 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -0.165 22.928 -11.424 1.00 0.00 H new ATOM 0 HB3 LYS A 105 0.002 23.548 -13.055 1.00 0.00 H new ATOM 0 HG2 LYS A 105 2.634 23.106 -12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 105 1.958 21.925 -11.429 1.00 0.00 H new ATOM 0 HD2 LYS A 105 1.805 20.546 -13.255 1.00 0.00 H new ATOM 0 HD3 LYS A 105 0.412 21.508 -13.710 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.182 23.143 -14.798 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.285 21.786 -14.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.134 21.793 -16.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 1.695 20.418 -15.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 0.626 21.732 -16.031 1.00 0.00 H new ATOM 1672 N PRO A 106 1.052 24.247 -9.153 1.00 0.00 N ATOM 1673 CA PRO A 106 1.676 24.013 -7.845 1.00 0.00 C ATOM 1674 C PRO A 106 2.449 22.691 -7.814 1.00 0.00 C ATOM 1675 O PRO A 106 2.049 21.713 -8.415 1.00 0.00 O ATOM 1676 CB PRO A 106 0.488 23.946 -6.888 1.00 0.00 C ATOM 1677 CG PRO A 106 -0.662 23.531 -7.742 1.00 0.00 C ATOM 1678 CD PRO A 106 -0.418 24.134 -9.096 1.00 0.00 C ATOM 0 HA PRO A 106 2.400 24.788 -7.592 1.00 0.00 H new ATOM 0 HB2 PRO A 106 0.665 23.229 -6.086 1.00 0.00 H new ATOM 0 HB3 PRO A 106 0.304 24.912 -6.417 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -0.727 22.445 -7.806 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -1.605 23.883 -7.323 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -0.805 23.501 -9.895 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -0.901 25.106 -9.197 1.00 0.00 H new