USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 498 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 27 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 TYR OH : rot 50:sc= 1.25 USER MOD Single : A 31 HIS : no HD1:sc= -0.139 X(o=-0.14,f=-0.0081) USER MOD Single : A 35 THR OG1 : rot -150:sc= -1.93! USER MOD Single : A 40 MET CE :methyl 169:sc= -0.0354 (180deg=-0.285) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -26:sc= 0.173 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0.0038 USER MOD Single : A 49 THR OG1 : rot -56:sc= 1.29 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 ASN : amide:sc= 1.04 K(o=1,f=-0.19) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.00607 USER MOD Single : A 72 ASN : amide:sc= -2.86! C(o=-2.9!,f=-6!) USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= -0.0385 (180deg=-0.261) USER MOD Single : A 75 GLN : amide:sc= -0.545 K(o=-0.55,f=-1.9) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -14.176 14.155 -4.517 1.00 0.00 N ATOM 225 CA ALA A 22 -14.452 14.603 -5.851 1.00 0.00 C ATOM 226 C ALA A 22 -15.746 13.965 -6.274 1.00 0.00 C ATOM 227 O ALA A 22 -15.996 12.803 -5.938 1.00 0.00 O ATOM 228 CB ALA A 22 -13.325 14.197 -6.790 1.00 0.00 C ATOM 0 HA ALA A 22 -14.530 15.690 -5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -13.549 14.544 -7.799 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -12.390 14.644 -6.451 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.227 13.111 -6.793 1.00 0.00 H new ATOM 234 N ARG A 23 -16.573 14.690 -6.968 1.00 0.00 N ATOM 235 CA ARG A 23 -17.865 14.157 -7.343 1.00 0.00 C ATOM 236 C ARG A 23 -18.087 14.331 -8.843 1.00 0.00 C ATOM 237 O ARG A 23 -18.985 13.707 -9.447 1.00 0.00 O ATOM 238 CB ARG A 23 -18.965 14.836 -6.534 1.00 0.00 C ATOM 239 CG ARG A 23 -20.172 13.958 -6.268 1.00 0.00 C ATOM 240 CD ARG A 23 -21.191 14.691 -5.426 1.00 0.00 C ATOM 241 NE ARG A 23 -22.214 13.789 -4.874 1.00 0.00 N ATOM 242 CZ ARG A 23 -23.358 14.183 -4.307 1.00 0.00 C ATOM 243 NH1 ARG A 23 -23.758 15.450 -4.401 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -24.127 13.297 -3.685 1.00 0.00 N ATOM 0 H ARG A 23 -16.387 15.641 -7.286 1.00 0.00 H new ATOM 0 HA ARG A 23 -17.895 13.090 -7.121 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.550 15.163 -5.581 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -19.290 15.731 -7.064 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -20.623 13.656 -7.213 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -19.860 13.047 -5.758 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.683 15.203 -4.609 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -21.675 15.458 -6.031 1.00 0.00 H new ATOM 0 HE ARG A 23 -22.036 12.786 -4.928 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -23.190 16.128 -4.909 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -24.633 15.742 -3.965 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.844 12.318 -3.641 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -25.001 13.595 -3.251 1.00 0.00 H new ATOM 258 N PHE A 24 -17.290 15.179 -9.443 1.00 0.00 N ATOM 259 CA PHE A 24 -17.308 15.368 -10.865 1.00 0.00 C ATOM 260 C PHE A 24 -15.903 15.280 -11.383 1.00 0.00 C ATOM 261 O PHE A 24 -14.952 15.208 -10.616 1.00 0.00 O ATOM 262 CB PHE A 24 -17.892 16.734 -11.282 1.00 0.00 C ATOM 263 CG PHE A 24 -19.326 16.958 -10.959 1.00 0.00 C ATOM 264 CD1 PHE A 24 -19.712 17.386 -9.702 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.292 16.771 -11.925 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.034 17.615 -9.416 1.00 0.00 C ATOM 267 CE2 PHE A 24 -21.613 16.996 -11.643 1.00 0.00 C ATOM 268 CZ PHE A 24 -21.984 17.420 -10.388 1.00 0.00 C ATOM 0 H PHE A 24 -16.609 15.759 -8.953 1.00 0.00 H new ATOM 0 HA PHE A 24 -17.946 14.591 -11.285 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.306 17.518 -10.803 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -17.760 16.849 -12.358 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -18.965 17.542 -8.938 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.004 16.444 -12.913 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -21.326 17.947 -8.431 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.363 16.841 -12.405 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.026 17.600 -10.167 1.00 0.00 H new ATOM 278 N CYS A 25 -15.781 15.255 -12.660 1.00 0.00 N ATOM 279 CA CYS A 25 -14.529 15.307 -13.317 1.00 0.00 C ATOM 280 C CYS A 25 -14.620 16.350 -14.397 1.00 0.00 C ATOM 281 O CYS A 25 -15.632 16.424 -15.108 1.00 0.00 O ATOM 282 CB CYS A 25 -14.203 13.959 -13.928 1.00 0.00 C ATOM 283 SG CYS A 25 -13.958 12.635 -12.720 1.00 0.00 S ATOM 0 H CYS A 25 -16.576 15.196 -13.296 1.00 0.00 H new ATOM 0 HA CYS A 25 -13.740 15.558 -12.608 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -15.010 13.674 -14.603 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.301 14.055 -14.532 1.00 0.00 H new ATOM 288 N VAL A 26 -13.620 17.165 -14.496 1.00 0.00 N ATOM 289 CA VAL A 26 -13.583 18.221 -15.484 1.00 0.00 C ATOM 290 C VAL A 26 -12.674 17.780 -16.609 1.00 0.00 C ATOM 291 O VAL A 26 -11.493 17.537 -16.379 1.00 0.00 O ATOM 292 CB VAL A 26 -13.002 19.519 -14.875 1.00 0.00 C ATOM 293 CG1 VAL A 26 -13.316 20.703 -15.738 1.00 0.00 C ATOM 294 CG2 VAL A 26 -13.471 19.741 -13.452 1.00 0.00 C ATOM 0 H VAL A 26 -12.796 17.126 -13.896 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.595 18.415 -15.838 1.00 0.00 H new ATOM 0 HB VAL A 26 -11.919 19.401 -14.839 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -12.897 21.603 -15.288 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -12.883 20.557 -16.728 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.397 20.812 -15.827 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -13.038 20.664 -13.066 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -14.558 19.816 -13.435 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.155 18.904 -12.830 1.00 0.00 H new ATOM 304 N TYR A 27 -13.221 17.633 -17.791 1.00 0.00 N ATOM 305 CA TYR A 27 -12.435 17.238 -18.943 1.00 0.00 C ATOM 306 C TYR A 27 -12.025 18.437 -19.736 1.00 0.00 C ATOM 307 O TYR A 27 -12.793 19.409 -19.864 1.00 0.00 O ATOM 308 CB TYR A 27 -13.173 16.244 -19.840 1.00 0.00 C ATOM 309 CG TYR A 27 -13.363 14.881 -19.220 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.314 14.661 -18.238 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.585 13.809 -19.625 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.482 13.414 -17.679 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.751 12.561 -19.070 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.701 12.370 -18.097 1.00 0.00 C ATOM 315 OH TYR A 27 -13.872 11.126 -17.540 1.00 0.00 O ATOM 0 H TYR A 27 -14.211 17.781 -17.985 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.546 16.736 -18.561 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.150 16.656 -20.094 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.621 16.133 -20.773 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.934 15.480 -17.905 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.836 13.955 -20.389 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.228 13.260 -16.913 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.137 11.735 -19.398 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.959 10.458 -18.252 1.00 0.00 H new ATOM 325 N TYR A 28 -10.838 18.384 -20.261 1.00 0.00 N ATOM 326 CA TYR A 28 -10.289 19.460 -21.033 1.00 0.00 C ATOM 327 C TYR A 28 -9.577 18.911 -22.251 1.00 0.00 C ATOM 328 O TYR A 28 -9.185 17.734 -22.281 1.00 0.00 O ATOM 329 CB TYR A 28 -9.232 20.223 -20.252 1.00 0.00 C ATOM 330 CG TYR A 28 -9.593 20.745 -18.886 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.398 19.959 -17.770 1.00 0.00 C ATOM 332 CD2 TYR A 28 -10.043 22.048 -18.703 1.00 0.00 C ATOM 333 CE1 TYR A 28 -9.634 20.444 -16.517 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.298 22.537 -17.440 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.082 21.725 -16.350 1.00 0.00 C ATOM 336 OH TYR A 28 -10.279 22.200 -15.076 1.00 0.00 O ATOM 0 H TYR A 28 -10.215 17.582 -20.165 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.123 20.111 -21.297 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.365 19.571 -20.141 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.917 21.071 -20.860 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.053 18.943 -17.890 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -10.195 22.685 -19.562 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.467 19.815 -15.655 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.663 23.545 -17.307 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.482 22.022 -14.534 1.00 0.00 H new ATOM 346 N ASP A 29 -9.417 19.767 -23.227 1.00 0.00 N ATOM 347 CA ASP A 29 -8.629 19.507 -24.406 1.00 0.00 C ATOM 348 C ASP A 29 -7.263 20.085 -24.167 1.00 0.00 C ATOM 349 O ASP A 29 -7.099 21.321 -24.095 1.00 0.00 O ATOM 350 CB ASP A 29 -9.239 20.177 -25.636 1.00 0.00 C ATOM 351 CG ASP A 29 -8.410 19.979 -26.904 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.465 20.751 -27.146 1.00 0.00 O1- ATOM 353 OD2 ASP A 29 -8.730 19.080 -27.714 1.00 0.00 O ATOM 0 H ASP A 29 -9.844 20.693 -23.224 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.590 18.433 -24.590 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.241 19.779 -25.799 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.347 21.244 -25.444 1.00 0.00 H new ATOM 358 N GLY A 30 -6.322 19.238 -23.981 1.00 0.00 N ATOM 359 CA GLY A 30 -4.996 19.653 -23.724 1.00 0.00 C ATOM 360 C GLY A 30 -4.576 19.241 -22.351 1.00 0.00 C ATOM 361 O GLY A 30 -5.407 19.098 -21.461 1.00 0.00 O ATOM 0 H GLY A 30 -6.452 18.227 -24.003 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.323 19.218 -24.463 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.922 20.736 -23.824 1.00 0.00 H new ATOM 365 N HIS A 31 -3.309 19.068 -22.167 1.00 0.00 N ATOM 366 CA HIS A 31 -2.788 18.614 -20.889 1.00 0.00 C ATOM 367 C HIS A 31 -2.117 19.751 -20.135 1.00 0.00 C ATOM 368 O HIS A 31 -1.843 19.638 -18.928 1.00 0.00 O ATOM 369 CB HIS A 31 -1.799 17.437 -21.077 1.00 0.00 C ATOM 370 CG HIS A 31 -0.604 17.755 -21.944 1.00 0.00 C ATOM 371 ND1 HIS A 31 0.648 18.070 -21.458 1.00 0.00 N ATOM 372 CD2 HIS A 31 -0.498 17.800 -23.291 1.00 0.00 C ATOM 373 CE1 HIS A 31 1.450 18.291 -22.496 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.803 18.137 -23.639 1.00 0.00 N ATOM 0 H HIS A 31 -2.599 19.231 -22.881 1.00 0.00 H new ATOM 0 HA HIS A 31 -3.633 18.262 -20.297 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -1.446 17.116 -20.097 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -2.335 16.595 -21.514 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.300 17.604 -23.987 1.00 0.00 H new ATOM 0 HE1 HIS A 31 2.493 18.561 -22.416 1.00 0.00 H new ATOM 0 HE2 HIS A 31 1.181 18.244 -24.580 1.00 0.00 H new ATOM 382 N LEU A 32 -1.866 20.846 -20.827 1.00 0.00 N ATOM 383 CA LEU A 32 -1.153 21.947 -20.254 1.00 0.00 C ATOM 384 C LEU A 32 -2.134 22.794 -19.430 1.00 0.00 C ATOM 385 O LEU A 32 -3.154 23.243 -19.953 1.00 0.00 O ATOM 386 CB LEU A 32 -0.492 22.769 -21.369 1.00 0.00 C ATOM 387 CG LEU A 32 0.623 23.711 -20.936 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.819 22.920 -20.414 1.00 0.00 C ATOM 389 CD2 LEU A 32 1.049 24.614 -22.077 1.00 0.00 C ATOM 0 H LEU A 32 -2.153 20.987 -21.796 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.362 21.591 -19.593 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.090 22.079 -22.111 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.264 23.357 -21.866 1.00 0.00 H new ATOM 0 HG LEU A 32 0.238 24.338 -20.132 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.606 23.610 -20.109 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.512 22.319 -19.558 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.194 22.266 -21.201 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.846 25.276 -21.739 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.409 24.006 -22.907 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.198 25.210 -22.407 1.00 0.00 H new ATOM 401 N PRO A 33 -1.829 23.025 -18.134 1.00 0.00 N ATOM 402 CA PRO A 33 -2.740 23.691 -17.179 1.00 0.00 C ATOM 403 C PRO A 33 -3.237 25.090 -17.589 1.00 0.00 C ATOM 404 O PRO A 33 -4.255 25.546 -17.088 1.00 0.00 O ATOM 405 CB PRO A 33 -1.939 23.751 -15.876 1.00 0.00 C ATOM 406 CG PRO A 33 -0.528 23.526 -16.276 1.00 0.00 C ATOM 407 CD PRO A 33 -0.568 22.638 -17.475 1.00 0.00 C ATOM 0 HA PRO A 33 -3.669 23.126 -17.110 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -2.060 24.716 -15.384 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.275 22.990 -15.172 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.035 24.470 -16.508 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.036 23.062 -15.467 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.292 22.798 -18.125 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.565 21.584 -17.197 1.00 0.00 H new ATOM 415 N ALA A 34 -2.535 25.774 -18.456 1.00 0.00 N ATOM 416 CA ALA A 34 -3.027 27.066 -18.913 1.00 0.00 C ATOM 417 C ALA A 34 -3.812 26.956 -20.229 1.00 0.00 C ATOM 418 O ALA A 34 -4.864 27.571 -20.395 1.00 0.00 O ATOM 419 CB ALA A 34 -1.892 28.066 -19.049 1.00 0.00 C ATOM 0 H ALA A 34 -1.645 25.477 -18.856 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.718 27.428 -18.152 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.288 29.022 -19.392 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.407 28.200 -18.082 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -1.165 27.695 -19.771 1.00 0.00 H new ATOM 425 N THR A 35 -3.319 26.144 -21.135 1.00 0.00 N ATOM 426 CA THR A 35 -3.849 26.074 -22.493 1.00 0.00 C ATOM 427 C THR A 35 -4.996 25.050 -22.637 1.00 0.00 C ATOM 428 O THR A 35 -5.611 24.939 -23.711 1.00 0.00 O ATOM 429 CB THR A 35 -2.703 25.666 -23.438 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.503 26.285 -22.969 1.00 0.00 O ATOM 431 CG2 THR A 35 -2.963 26.139 -24.866 1.00 0.00 C ATOM 0 H THR A 35 -2.539 25.510 -20.960 1.00 0.00 H new ATOM 0 HA THR A 35 -4.255 27.054 -22.742 1.00 0.00 H new ATOM 0 HB THR A 35 -2.622 24.579 -23.445 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.907 26.459 -23.727 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.135 25.835 -25.507 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.888 25.695 -25.233 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.051 27.225 -24.879 1.00 0.00 H new ATOM 439 N ARG A 36 -5.275 24.295 -21.594 1.00 0.00 N ATOM 440 CA ARG A 36 -6.282 23.267 -21.699 1.00 0.00 C ATOM 441 C ARG A 36 -7.695 23.865 -21.789 1.00 0.00 C ATOM 442 O ARG A 36 -8.095 24.698 -20.970 1.00 0.00 O ATOM 443 CB ARG A 36 -6.113 22.165 -20.617 1.00 0.00 C ATOM 444 CG ARG A 36 -6.683 22.380 -19.199 1.00 0.00 C ATOM 445 CD ARG A 36 -6.193 23.608 -18.468 1.00 0.00 C ATOM 446 NE ARG A 36 -7.194 24.684 -18.457 1.00 0.00 N ATOM 447 CZ ARG A 36 -7.636 25.318 -17.350 1.00 0.00 C ATOM 448 NH1 ARG A 36 -7.165 24.993 -16.145 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -8.552 26.273 -17.453 1.00 0.00 N ATOM 0 H ARG A 36 -4.827 24.373 -20.681 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.132 22.745 -22.644 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.561 21.253 -21.011 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.045 21.976 -20.511 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -7.769 22.433 -19.270 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -6.445 21.503 -18.596 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.938 23.341 -17.442 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.279 23.969 -18.940 1.00 0.00 H new ATOM 0 HE ARG A 36 -7.584 24.974 -19.354 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.463 24.258 -16.053 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -7.507 25.479 -15.316 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.922 26.528 -18.369 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -8.886 26.752 -16.617 1.00 0.00 H new ATOM 463 N VAL A 37 -8.413 23.477 -22.805 1.00 0.00 N ATOM 464 CA VAL A 37 -9.727 24.027 -23.077 1.00 0.00 C ATOM 465 C VAL A 37 -10.788 23.194 -22.390 1.00 0.00 C ATOM 466 O VAL A 37 -10.823 21.994 -22.566 1.00 0.00 O ATOM 467 CB VAL A 37 -10.003 24.058 -24.605 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.361 24.670 -24.914 1.00 0.00 C ATOM 469 CG2 VAL A 37 -8.901 24.814 -25.333 1.00 0.00 C ATOM 0 H VAL A 37 -8.110 22.769 -23.474 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.758 25.047 -22.693 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.014 23.027 -24.960 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.521 24.676 -25.992 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.143 24.081 -24.434 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.394 25.692 -24.537 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.112 24.825 -26.402 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.856 25.838 -24.962 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.945 24.322 -25.157 1.00 0.00 H new ATOM 479 N LEU A 38 -11.629 23.833 -21.605 1.00 0.00 N ATOM 480 CA LEU A 38 -12.712 23.160 -20.888 1.00 0.00 C ATOM 481 C LEU A 38 -13.644 22.474 -21.884 1.00 0.00 C ATOM 482 O LEU A 38 -14.102 23.097 -22.842 1.00 0.00 O ATOM 483 CB LEU A 38 -13.471 24.207 -20.003 1.00 0.00 C ATOM 484 CG LEU A 38 -14.689 23.752 -19.134 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.958 23.528 -19.951 1.00 0.00 C ATOM 486 CD2 LEU A 38 -14.354 22.507 -18.361 1.00 0.00 C ATOM 0 H LEU A 38 -11.588 24.839 -21.440 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.309 22.389 -20.232 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.740 24.654 -19.329 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.821 24.999 -20.665 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.892 24.571 -18.444 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.766 23.214 -19.290 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -16.238 24.456 -20.450 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.778 22.754 -20.697 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -15.215 22.207 -17.763 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -14.097 21.706 -19.054 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -13.507 22.704 -17.704 1.00 0.00 H new ATOM 498 N LEU A 39 -13.873 21.196 -21.685 1.00 0.00 N ATOM 499 CA LEU A 39 -14.774 20.450 -22.528 1.00 0.00 C ATOM 500 C LEU A 39 -16.116 20.267 -21.850 1.00 0.00 C ATOM 501 O LEU A 39 -17.127 20.742 -22.370 1.00 0.00 O ATOM 502 CB LEU A 39 -14.182 19.098 -22.948 1.00 0.00 C ATOM 503 CG LEU A 39 -12.936 19.156 -23.837 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.458 17.757 -24.173 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.219 19.936 -25.115 1.00 0.00 C ATOM 0 H LEU A 39 -13.443 20.649 -20.939 1.00 0.00 H new ATOM 0 HA LEU A 39 -14.924 21.031 -23.438 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.935 18.537 -22.047 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.953 18.534 -23.474 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.150 19.672 -23.285 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.572 17.817 -24.805 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.212 17.226 -23.253 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.246 17.221 -24.702 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.320 19.964 -25.731 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.022 19.449 -25.668 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.517 20.953 -24.862 1.00 0.00 H new ATOM 517 N MET A 40 -16.132 19.606 -20.681 1.00 0.00 N ATOM 518 CA MET A 40 -17.374 19.354 -19.942 1.00 0.00 C ATOM 519 C MET A 40 -17.098 18.694 -18.622 1.00 0.00 C ATOM 520 O MET A 40 -15.982 18.210 -18.367 1.00 0.00 O ATOM 521 CB MET A 40 -18.428 18.535 -20.736 1.00 0.00 C ATOM 522 CG MET A 40 -17.964 17.182 -21.215 1.00 0.00 C ATOM 523 SD MET A 40 -19.318 16.144 -21.823 1.00 0.00 S ATOM 524 CE MET A 40 -20.020 17.189 -23.099 1.00 0.00 C ATOM 0 H MET A 40 -15.295 19.237 -20.229 1.00 0.00 H new ATOM 0 HA MET A 40 -17.810 20.339 -19.774 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.307 18.398 -20.106 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.743 19.120 -21.600 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.231 17.316 -22.010 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.458 16.668 -20.398 1.00 0.00 H new ATOM 0 HE1 MET A 40 -20.731 16.613 -23.691 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.532 18.033 -22.637 1.00 0.00 H new ATOM 0 HE3 MET A 40 -19.224 17.557 -23.746 1.00 0.00 H new ATOM 534 N TYR A 41 -18.100 18.706 -17.796 1.00 0.00 N ATOM 535 CA TYR A 41 -18.077 18.118 -16.480 1.00 0.00 C ATOM 536 C TYR A 41 -18.831 16.809 -16.513 1.00 0.00 C ATOM 537 O TYR A 41 -19.886 16.719 -17.134 1.00 0.00 O ATOM 538 CB TYR A 41 -18.741 19.054 -15.462 1.00 0.00 C ATOM 539 CG TYR A 41 -17.990 20.338 -15.183 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.076 21.430 -16.041 1.00 0.00 C ATOM 541 CD2 TYR A 41 -17.196 20.456 -14.053 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.392 22.598 -15.776 1.00 0.00 C ATOM 543 CE2 TYR A 41 -16.513 21.620 -13.781 1.00 0.00 C ATOM 544 CZ TYR A 41 -16.611 22.687 -14.645 1.00 0.00 C ATOM 545 OH TYR A 41 -15.927 23.849 -14.370 1.00 0.00 O ATOM 0 H TYR A 41 -18.994 19.141 -18.024 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.041 17.952 -16.184 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -19.739 19.306 -15.821 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -18.867 18.514 -14.524 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -18.688 21.362 -16.928 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -17.112 19.620 -13.374 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.468 23.438 -16.451 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -15.903 21.696 -12.893 1.00 0.00 H new ATOM 0 HH TYR A 41 -15.426 23.744 -13.535 1.00 0.00 H new ATOM 555 N VAL A 42 -18.297 15.810 -15.867 1.00 0.00 N ATOM 556 CA VAL A 42 -18.916 14.495 -15.826 1.00 0.00 C ATOM 557 C VAL A 42 -19.082 14.067 -14.383 1.00 0.00 C ATOM 558 O VAL A 42 -18.195 14.288 -13.574 1.00 0.00 O ATOM 559 CB VAL A 42 -18.061 13.443 -16.594 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.681 12.049 -16.520 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.880 13.859 -18.046 1.00 0.00 C ATOM 0 H VAL A 42 -17.420 15.875 -15.351 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.890 14.555 -16.312 1.00 0.00 H new ATOM 0 HB VAL A 42 -17.085 13.401 -16.111 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -18.056 11.343 -17.067 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.753 11.738 -15.478 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.677 12.070 -16.962 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.280 13.112 -18.566 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.855 13.940 -18.526 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.374 14.824 -18.088 1.00 0.00 H new ATOM 571 N ARG A 43 -20.215 13.489 -14.074 1.00 0.00 N ATOM 572 CA ARG A 43 -20.539 13.034 -12.743 1.00 0.00 C ATOM 573 C ARG A 43 -19.830 11.706 -12.463 1.00 0.00 C ATOM 574 O ARG A 43 -19.980 10.724 -13.234 1.00 0.00 O ATOM 575 CB ARG A 43 -22.061 12.833 -12.656 1.00 0.00 C ATOM 576 CG ARG A 43 -22.616 12.521 -11.273 1.00 0.00 C ATOM 577 CD ARG A 43 -22.493 13.715 -10.346 1.00 0.00 C ATOM 578 NE ARG A 43 -23.220 13.516 -9.086 1.00 0.00 N ATOM 579 CZ ARG A 43 -24.062 14.416 -8.522 1.00 0.00 C ATOM 580 NH1 ARG A 43 -24.401 15.532 -9.168 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -24.609 14.160 -7.348 1.00 0.00 N ATOM 0 H ARG A 43 -20.955 13.317 -14.755 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.213 13.770 -12.008 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.548 13.735 -13.026 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.339 12.022 -13.329 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.663 12.229 -11.357 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.082 11.672 -10.848 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.440 13.899 -10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -22.876 14.604 -10.848 1.00 0.00 H new ATOM 0 HE ARG A 43 -23.081 12.632 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -24.026 15.717 -10.098 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -25.036 16.201 -8.732 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -24.398 13.286 -6.867 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -25.243 14.836 -6.922 1.00 0.00 H new ATOM 595 N ILE A 44 -19.070 11.662 -11.395 1.00 0.00 N ATOM 596 CA ILE A 44 -18.402 10.433 -10.997 1.00 0.00 C ATOM 597 C ILE A 44 -19.457 9.411 -10.621 1.00 0.00 C ATOM 598 O ILE A 44 -20.337 9.675 -9.791 1.00 0.00 O ATOM 599 CB ILE A 44 -17.378 10.631 -9.832 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.250 11.573 -10.282 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.799 9.282 -9.367 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.174 11.807 -9.240 1.00 0.00 C ATOM 0 H ILE A 44 -18.895 12.459 -10.783 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.813 10.082 -11.844 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.901 11.079 -8.987 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.786 11.162 -11.179 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.685 12.533 -10.559 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.090 9.450 -8.556 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.607 8.641 -9.015 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.289 8.798 -10.200 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.419 12.483 -9.642 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.620 12.250 -8.349 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.708 10.857 -8.978 1.00 0.00 H new ATOM 614 N GLY A 45 -19.405 8.293 -11.273 1.00 0.00 N ATOM 615 CA GLY A 45 -20.383 7.285 -11.091 1.00 0.00 C ATOM 616 C GLY A 45 -21.185 7.092 -12.347 1.00 0.00 C ATOM 617 O GLY A 45 -22.028 6.207 -12.416 1.00 0.00 O ATOM 0 H GLY A 45 -18.677 8.059 -11.948 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.900 6.348 -10.814 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -21.045 7.557 -10.269 1.00 0.00 H new ATOM 621 N THR A 46 -20.948 7.938 -13.343 1.00 0.00 N ATOM 622 CA THR A 46 -21.653 7.813 -14.595 1.00 0.00 C ATOM 623 C THR A 46 -20.710 7.856 -15.781 1.00 0.00 C ATOM 624 O THR A 46 -19.507 8.201 -15.655 1.00 0.00 O ATOM 625 CB THR A 46 -22.748 8.908 -14.762 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.189 10.223 -14.636 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.877 8.741 -13.756 1.00 0.00 C ATOM 0 H THR A 46 -20.279 8.707 -13.301 1.00 0.00 H new ATOM 0 HA THR A 46 -22.139 6.838 -14.569 1.00 0.00 H new ATOM 0 HB THR A 46 -23.158 8.786 -15.764 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.383 10.184 -14.080 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.619 9.525 -13.908 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.346 7.767 -13.894 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.477 8.811 -12.745 1.00 0.00 H new ATOM 635 N THR A 47 -21.248 7.499 -16.904 1.00 0.00 N ATOM 636 CA THR A 47 -20.563 7.563 -18.150 1.00 0.00 C ATOM 637 C THR A 47 -20.992 8.814 -18.863 1.00 0.00 C ATOM 638 O THR A 47 -22.059 9.370 -18.569 1.00 0.00 O ATOM 639 CB THR A 47 -20.911 6.355 -19.028 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.349 6.245 -19.148 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.355 5.070 -18.444 1.00 0.00 C ATOM 0 H THR A 47 -22.202 7.146 -16.978 1.00 0.00 H new ATOM 0 HA THR A 47 -19.489 7.563 -17.964 1.00 0.00 H new ATOM 0 HB THR A 47 -20.462 6.507 -20.010 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.572 5.474 -19.710 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.619 4.233 -19.090 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.270 5.143 -18.370 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.776 4.909 -17.451 1.00 0.00 H new ATOM 649 N ALA A 48 -20.193 9.256 -19.765 1.00 0.00 N ATOM 650 CA ALA A 48 -20.501 10.439 -20.533 1.00 0.00 C ATOM 651 C ALA A 48 -19.827 10.398 -21.869 1.00 0.00 C ATOM 652 O ALA A 48 -18.743 9.826 -22.014 1.00 0.00 O ATOM 653 CB ALA A 48 -20.094 11.692 -19.789 1.00 0.00 C ATOM 0 H ALA A 48 -19.303 8.818 -20.003 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.580 10.461 -20.685 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.338 12.568 -20.391 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.630 11.743 -18.841 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.021 11.670 -19.599 1.00 0.00 H new ATOM 659 N THR A 49 -20.460 10.985 -22.837 1.00 0.00 N ATOM 660 CA THR A 49 -19.913 11.068 -24.146 1.00 0.00 C ATOM 661 C THR A 49 -19.243 12.426 -24.300 1.00 0.00 C ATOM 662 O THR A 49 -19.915 13.463 -24.241 1.00 0.00 O ATOM 663 CB THR A 49 -21.023 10.966 -25.202 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.945 9.917 -24.843 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.431 10.668 -26.574 1.00 0.00 C ATOM 0 H THR A 49 -21.376 11.421 -22.735 1.00 0.00 H new ATOM 0 HA THR A 49 -19.204 10.253 -24.286 1.00 0.00 H new ATOM 0 HB THR A 49 -21.549 11.920 -25.242 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.456 9.074 -24.736 1.00 0.00 H new ATOM 0 HG21 THR A 49 -21.233 10.599 -27.309 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.747 11.468 -26.857 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.889 9.723 -26.539 1.00 0.00 H new ATOM 673 N ILE A 50 -17.952 12.427 -24.428 1.00 0.00 N ATOM 674 CA ILE A 50 -17.234 13.639 -24.688 1.00 0.00 C ATOM 675 C ILE A 50 -17.087 13.681 -26.192 1.00 0.00 C ATOM 676 O ILE A 50 -16.809 12.661 -26.804 1.00 0.00 O ATOM 677 CB ILE A 50 -15.797 13.589 -24.112 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.753 12.983 -22.695 1.00 0.00 C ATOM 679 CG2 ILE A 50 -15.163 14.985 -24.126 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.518 13.760 -21.641 1.00 0.00 C ATOM 0 H ILE A 50 -17.368 11.594 -24.356 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.757 14.488 -24.247 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.215 12.930 -24.757 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.151 11.969 -22.737 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.712 12.904 -22.382 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -14.154 14.930 -23.718 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.121 15.355 -25.150 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.763 15.663 -23.520 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.427 13.255 -20.679 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -16.108 14.767 -21.562 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.569 13.817 -21.923 1.00 0.00 H new ATOM 692 N THR A 51 -17.277 14.786 -26.770 1.00 0.00 N ATOM 693 CA THR A 51 -17.146 14.907 -28.197 1.00 0.00 C ATOM 694 C THR A 51 -16.118 15.992 -28.481 1.00 0.00 C ATOM 695 O THR A 51 -16.358 17.181 -28.206 1.00 0.00 O ATOM 696 CB THR A 51 -18.497 15.270 -28.855 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.544 14.421 -28.335 1.00 0.00 O ATOM 698 CG2 THR A 51 -18.427 15.101 -30.369 1.00 0.00 C ATOM 0 H THR A 51 -17.529 15.650 -26.290 1.00 0.00 H new ATOM 0 HA THR A 51 -16.827 13.953 -28.617 1.00 0.00 H new ATOM 0 HB THR A 51 -18.715 16.313 -28.623 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.397 14.658 -28.755 1.00 0.00 H new ATOM 0 HG21 THR A 51 -19.389 15.362 -30.809 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.654 15.755 -30.773 1.00 0.00 H new ATOM 0 HG23 THR A 51 -18.188 14.065 -30.609 1.00 0.00 H new ATOM 706 N ALA A 52 -14.976 15.594 -28.956 1.00 0.00 N ATOM 707 CA ALA A 52 -13.910 16.514 -29.224 1.00 0.00 C ATOM 708 C ALA A 52 -13.191 16.096 -30.472 1.00 0.00 C ATOM 709 O ALA A 52 -12.973 14.899 -30.687 1.00 0.00 O ATOM 710 CB ALA A 52 -12.953 16.579 -28.042 1.00 0.00 C ATOM 0 H ALA A 52 -14.756 14.621 -29.169 1.00 0.00 H new ATOM 0 HA ALA A 52 -14.324 17.511 -29.373 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -12.150 17.282 -28.262 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -13.492 16.911 -27.155 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -12.531 15.591 -27.861 1.00 0.00 H new ATOM 716 N ARG A 53 -12.885 17.070 -31.323 1.00 0.00 N ATOM 717 CA ARG A 53 -12.171 16.857 -32.586 1.00 0.00 C ATOM 718 C ARG A 53 -12.970 15.982 -33.534 1.00 0.00 C ATOM 719 O ARG A 53 -12.427 15.326 -34.424 1.00 0.00 O ATOM 720 CB ARG A 53 -10.795 16.275 -32.336 1.00 0.00 C ATOM 721 CG ARG A 53 -9.881 17.254 -31.656 1.00 0.00 C ATOM 722 CD ARG A 53 -8.525 16.665 -31.434 1.00 0.00 C ATOM 723 NE ARG A 53 -7.958 16.124 -32.674 1.00 0.00 N ATOM 724 CZ ARG A 53 -6.967 15.234 -32.762 1.00 0.00 C ATOM 725 NH1 ARG A 53 -6.327 14.818 -31.672 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -6.601 14.774 -33.952 1.00 0.00 N ATOM 0 H ARG A 53 -13.128 18.046 -31.156 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.046 17.828 -33.064 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.887 15.379 -31.722 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.355 15.967 -33.284 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.794 18.155 -32.263 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.311 17.553 -30.700 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -7.858 17.428 -31.032 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -8.590 15.873 -30.688 1.00 0.00 H new ATOM 0 HE ARG A 53 -8.358 16.459 -33.550 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.592 15.180 -30.756 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.571 14.138 -31.753 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.076 15.101 -34.793 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -5.844 14.094 -34.025 1.00 0.00 H new ATOM 740 N GLY A 54 -14.267 16.022 -33.362 1.00 0.00 N ATOM 741 CA GLY A 54 -15.160 15.231 -34.164 1.00 0.00 C ATOM 742 C GLY A 54 -15.216 13.773 -33.734 1.00 0.00 C ATOM 743 O GLY A 54 -15.807 12.938 -34.432 1.00 0.00 O ATOM 0 H GLY A 54 -14.731 16.603 -32.664 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.161 15.658 -34.110 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -14.846 15.284 -35.206 1.00 0.00 H new ATOM 747 N HIS A 55 -14.595 13.451 -32.618 1.00 0.00 N ATOM 748 CA HIS A 55 -14.611 12.103 -32.107 1.00 0.00 C ATOM 749 C HIS A 55 -15.451 12.033 -30.853 1.00 0.00 C ATOM 750 O HIS A 55 -15.433 12.959 -30.031 1.00 0.00 O ATOM 751 CB HIS A 55 -13.195 11.575 -31.805 1.00 0.00 C ATOM 752 CG HIS A 55 -12.320 11.329 -33.003 1.00 0.00 C ATOM 753 ND1 HIS A 55 -12.103 10.079 -33.546 1.00 0.00 N ATOM 754 CD2 HIS A 55 -11.562 12.186 -33.731 1.00 0.00 C ATOM 755 CE1 HIS A 55 -11.245 10.207 -34.556 1.00 0.00 C ATOM 756 NE2 HIS A 55 -10.878 11.468 -34.715 1.00 0.00 N ATOM 0 H HIS A 55 -14.070 14.113 -32.046 1.00 0.00 H new ATOM 0 HA HIS A 55 -15.043 11.472 -32.883 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.693 12.289 -31.152 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -13.286 10.643 -31.248 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -11.497 13.253 -33.575 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -10.894 9.388 -35.166 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -10.231 11.839 -35.411 1.00 0.00 H new ATOM 764 N GLU A 56 -16.197 10.971 -30.724 1.00 0.00 N ATOM 765 CA GLU A 56 -17.011 10.730 -29.561 1.00 0.00 C ATOM 766 C GLU A 56 -16.287 9.744 -28.657 1.00 0.00 C ATOM 767 O GLU A 56 -15.827 8.678 -29.114 1.00 0.00 O ATOM 768 CB GLU A 56 -18.344 10.132 -29.974 1.00 0.00 C ATOM 769 CG GLU A 56 -19.177 11.024 -30.861 1.00 0.00 C ATOM 770 CD GLU A 56 -20.415 10.325 -31.353 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.308 9.466 -32.251 1.00 0.00 O1- ATOM 772 OE2 GLU A 56 -21.518 10.609 -30.852 1.00 0.00 O ATOM 0 H GLU A 56 -16.259 10.239 -31.431 1.00 0.00 H new ATOM 0 HA GLU A 56 -17.187 11.671 -29.039 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -18.161 9.191 -30.493 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.916 9.895 -29.077 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -19.461 11.921 -30.310 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -18.580 11.349 -31.713 1.00 0.00 H new ATOM 779 N PHE A 57 -16.156 10.094 -27.418 1.00 0.00 N ATOM 780 CA PHE A 57 -15.512 9.279 -26.449 1.00 0.00 C ATOM 781 C PHE A 57 -16.496 8.973 -25.346 1.00 0.00 C ATOM 782 O PHE A 57 -16.883 9.877 -24.596 1.00 0.00 O ATOM 783 CB PHE A 57 -14.315 10.023 -25.852 1.00 0.00 C ATOM 784 CG PHE A 57 -13.318 10.526 -26.860 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.341 9.693 -27.368 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.368 11.842 -27.298 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.431 10.158 -28.297 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.465 12.311 -28.224 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.494 11.469 -28.724 1.00 0.00 C ATOM 0 H PHE A 57 -16.504 10.978 -27.046 1.00 0.00 H new ATOM 0 HA PHE A 57 -15.165 8.359 -26.920 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.683 10.870 -25.273 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.803 9.359 -25.156 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.288 8.667 -27.035 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -14.125 12.506 -26.907 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.672 9.497 -28.689 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.516 13.337 -28.559 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.783 11.835 -29.450 1.00 0.00 H new ATOM 799 N GLU A 58 -16.940 7.750 -25.268 1.00 0.00 N ATOM 800 CA GLU A 58 -17.811 7.355 -24.196 1.00 0.00 C ATOM 801 C GLU A 58 -16.906 6.922 -23.055 1.00 0.00 C ATOM 802 O GLU A 58 -16.257 5.863 -23.111 1.00 0.00 O ATOM 803 CB GLU A 58 -18.723 6.211 -24.649 1.00 0.00 C ATOM 804 CG GLU A 58 -19.808 5.809 -23.654 1.00 0.00 C ATOM 805 CD GLU A 58 -20.831 6.900 -23.398 1.00 0.00 C ATOM 806 OE1 GLU A 58 -21.480 7.368 -24.366 1.00 0.00 O ATOM 807 OE2 GLU A 58 -21.088 7.229 -22.225 1.00 0.00 O1- ATOM 0 H GLU A 58 -16.714 7.010 -25.933 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.464 8.170 -23.883 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -19.201 6.498 -25.586 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -18.106 5.338 -24.861 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.320 4.922 -24.027 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.339 5.533 -22.709 1.00 0.00 H new ATOM 814 N VAL A 59 -16.848 7.739 -22.054 1.00 0.00 N ATOM 815 CA VAL A 59 -15.940 7.555 -20.958 1.00 0.00 C ATOM 816 C VAL A 59 -16.709 7.281 -19.695 1.00 0.00 C ATOM 817 O VAL A 59 -17.876 7.653 -19.575 1.00 0.00 O ATOM 818 CB VAL A 59 -15.051 8.822 -20.748 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.237 9.144 -21.994 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.880 10.037 -20.329 1.00 0.00 C ATOM 0 H VAL A 59 -17.437 8.567 -21.969 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.296 6.707 -21.194 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.362 8.589 -19.936 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.630 10.031 -21.813 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.587 8.302 -22.232 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -14.911 9.330 -22.831 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.223 10.896 -20.193 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.615 10.260 -21.102 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.393 9.821 -19.392 1.00 0.00 H new ATOM 830 N GLU A 60 -16.082 6.635 -18.782 1.00 0.00 N ATOM 831 CA GLU A 60 -16.681 6.369 -17.515 1.00 0.00 C ATOM 832 C GLU A 60 -15.899 7.070 -16.415 1.00 0.00 C ATOM 833 O GLU A 60 -14.695 6.815 -16.223 1.00 0.00 O ATOM 834 CB GLU A 60 -16.765 4.859 -17.268 1.00 0.00 C ATOM 835 CG GLU A 60 -17.397 4.483 -15.940 1.00 0.00 C ATOM 836 CD GLU A 60 -17.622 3.002 -15.806 1.00 0.00 C ATOM 837 OE1 GLU A 60 -16.647 2.238 -15.747 1.00 0.00 O ATOM 838 OE2 GLU A 60 -18.788 2.577 -15.730 1.00 0.00 O1- ATOM 0 H GLU A 60 -15.135 6.272 -18.887 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.698 6.760 -17.511 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.339 4.401 -18.074 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.761 4.438 -17.312 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.756 4.825 -15.127 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.349 5.003 -15.835 1.00 0.00 H new ATOM 845 N ALA A 61 -16.557 7.977 -15.717 1.00 0.00 N ATOM 846 CA ALA A 61 -15.928 8.644 -14.597 1.00 0.00 C ATOM 847 C ALA A 61 -16.105 7.759 -13.382 1.00 0.00 C ATOM 848 O ALA A 61 -17.104 7.836 -12.681 1.00 0.00 O ATOM 849 CB ALA A 61 -16.515 10.031 -14.368 1.00 0.00 C ATOM 0 H ALA A 61 -17.517 8.265 -15.905 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.868 8.797 -14.800 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -16.018 10.501 -13.519 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.366 10.641 -15.259 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.582 9.945 -14.162 1.00 0.00 H new ATOM 855 N LYS A 62 -15.174 6.870 -13.199 1.00 0.00 N ATOM 856 CA LYS A 62 -15.282 5.844 -12.185 1.00 0.00 C ATOM 857 C LYS A 62 -14.464 6.097 -10.934 1.00 0.00 C ATOM 858 O LYS A 62 -14.746 5.520 -9.892 1.00 0.00 O ATOM 859 CB LYS A 62 -14.844 4.516 -12.761 1.00 0.00 C ATOM 860 CG LYS A 62 -13.464 4.571 -13.392 1.00 0.00 C ATOM 861 CD LYS A 62 -12.935 3.192 -13.714 1.00 0.00 C ATOM 862 CE LYS A 62 -13.832 2.448 -14.676 1.00 0.00 C ATOM 863 NZ LYS A 62 -13.436 1.043 -14.824 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.314 6.829 -13.746 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.331 5.846 -11.887 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.847 3.765 -11.971 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.568 4.194 -13.510 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -13.506 5.166 -14.304 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.775 5.075 -12.714 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -11.937 3.279 -14.143 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -12.837 2.618 -12.793 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -14.862 2.499 -14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.804 2.937 -15.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -14.077 0.570 -15.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.462 0.993 -15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -13.488 0.569 -13.900 1.00 0.00 H new ATOM 877 N ASP A 63 -13.462 6.921 -11.007 1.00 0.00 N ATOM 878 CA ASP A 63 -12.551 7.002 -9.914 1.00 0.00 C ATOM 879 C ASP A 63 -12.473 8.418 -9.428 1.00 0.00 C ATOM 880 O ASP A 63 -12.648 9.347 -10.213 1.00 0.00 O ATOM 881 CB ASP A 63 -11.179 6.511 -10.381 1.00 0.00 C ATOM 882 CG ASP A 63 -10.205 6.303 -9.259 1.00 0.00 C ATOM 883 OD1 ASP A 63 -9.659 7.274 -8.769 1.00 0.00 O ATOM 884 OD2 ASP A 63 -9.967 5.142 -8.873 1.00 0.00 O1- ATOM 0 H ASP A 63 -13.260 7.534 -11.797 1.00 0.00 H new ATOM 0 HA ASP A 63 -12.892 6.377 -9.089 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.302 5.573 -10.923 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -10.763 7.233 -11.084 1.00 0.00 H new ATOM 889 N GLN A 64 -12.178 8.585 -8.149 1.00 0.00 N ATOM 890 CA GLN A 64 -12.081 9.903 -7.526 1.00 0.00 C ATOM 891 C GLN A 64 -10.861 10.680 -8.038 1.00 0.00 C ATOM 892 O GLN A 64 -10.704 11.862 -7.753 1.00 0.00 O ATOM 893 CB GLN A 64 -12.009 9.779 -6.005 1.00 0.00 C ATOM 894 CG GLN A 64 -10.790 9.021 -5.499 1.00 0.00 C ATOM 895 CD GLN A 64 -10.695 9.037 -3.997 1.00 0.00 C ATOM 896 OE1 GLN A 64 -11.220 8.161 -3.317 1.00 0.00 O ATOM 897 NE2 GLN A 64 -10.048 10.036 -3.465 1.00 0.00 N ATOM 0 H GLN A 64 -11.998 7.811 -7.509 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.980 10.456 -7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -12.008 10.778 -5.570 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -12.909 9.277 -5.649 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -10.835 7.989 -5.848 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -9.888 9.462 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.624 10.746 -4.063 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.965 10.108 -2.451 1.00 0.00 H new ATOM 906 N ASN A 65 -9.996 10.000 -8.763 1.00 0.00 N ATOM 907 CA ASN A 65 -8.814 10.625 -9.347 1.00 0.00 C ATOM 908 C ASN A 65 -9.129 11.044 -10.754 1.00 0.00 C ATOM 909 O ASN A 65 -8.289 11.617 -11.452 1.00 0.00 O ATOM 910 CB ASN A 65 -7.624 9.649 -9.380 1.00 0.00 C ATOM 911 CG ASN A 65 -7.067 9.293 -8.014 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.147 9.947 -7.512 1.00 0.00 O ATOM 913 ND2 ASN A 65 -7.593 8.261 -7.414 1.00 0.00 N ATOM 0 H ASN A 65 -10.086 9.005 -8.966 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.543 11.485 -8.734 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -7.935 8.733 -9.882 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.827 10.087 -9.981 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.246 7.971 -6.500 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.352 7.744 -7.859 1.00 0.00 H new ATOM 920 N CYS A 66 -10.357 10.733 -11.172 1.00 0.00 N ATOM 921 CA CYS A 66 -10.838 10.994 -12.511 1.00 0.00 C ATOM 922 C CYS A 66 -10.012 10.286 -13.543 1.00 0.00 C ATOM 923 O CYS A 66 -9.740 10.807 -14.632 1.00 0.00 O ATOM 924 CB CYS A 66 -10.964 12.479 -12.770 1.00 0.00 C ATOM 925 SG CYS A 66 -12.274 13.216 -11.766 1.00 0.00 S ATOM 0 H CYS A 66 -11.050 10.285 -10.572 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.843 10.581 -12.594 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -10.016 12.970 -12.550 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -11.174 12.649 -13.826 1.00 0.00 H new ATOM 930 N LYS A 67 -9.597 9.084 -13.180 1.00 0.00 N ATOM 931 CA LYS A 67 -8.917 8.219 -14.061 1.00 0.00 C ATOM 932 C LYS A 67 -9.930 7.803 -15.120 1.00 0.00 C ATOM 933 O LYS A 67 -10.870 7.051 -14.839 1.00 0.00 O ATOM 934 CB LYS A 67 -8.403 7.005 -13.280 1.00 0.00 C ATOM 935 CG LYS A 67 -7.175 6.293 -13.837 1.00 0.00 C ATOM 936 CD LYS A 67 -6.019 7.257 -13.936 1.00 0.00 C ATOM 937 CE LYS A 67 -5.922 7.831 -15.329 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.089 9.053 -15.390 1.00 0.00 N1+ ATOM 0 H LYS A 67 -9.737 8.699 -12.246 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.056 8.698 -14.527 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -8.176 7.327 -12.264 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -9.213 6.279 -13.211 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -6.907 5.456 -13.193 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -7.399 5.879 -14.820 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.148 8.063 -13.213 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.090 6.746 -13.682 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.505 7.079 -15.999 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.923 8.061 -15.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.058 9.403 -16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.499 9.784 -14.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.124 8.832 -15.070 1.00 0.00 H new ATOM 952 N VAL A 68 -9.788 8.368 -16.274 1.00 0.00 N ATOM 953 CA VAL A 68 -10.718 8.175 -17.345 1.00 0.00 C ATOM 954 C VAL A 68 -10.490 6.877 -18.120 1.00 0.00 C ATOM 955 O VAL A 68 -9.484 6.703 -18.826 1.00 0.00 O ATOM 956 CB VAL A 68 -10.774 9.421 -18.284 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.390 9.875 -18.707 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.636 9.145 -19.500 1.00 0.00 C ATOM 0 H VAL A 68 -9.011 8.987 -16.506 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.699 8.067 -16.882 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.226 10.232 -17.713 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.476 10.744 -19.359 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.808 10.140 -17.824 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.890 9.068 -19.242 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.659 10.028 -20.138 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.221 8.305 -20.057 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.649 8.902 -19.180 1.00 0.00 H new ATOM 968 N ILE A 69 -11.402 5.963 -17.944 1.00 0.00 N ATOM 969 CA ILE A 69 -11.414 4.730 -18.674 1.00 0.00 C ATOM 970 C ILE A 69 -12.697 4.703 -19.484 1.00 0.00 C ATOM 971 O ILE A 69 -13.755 5.094 -18.987 1.00 0.00 O ATOM 972 CB ILE A 69 -11.293 3.448 -17.754 1.00 0.00 C ATOM 973 CG1 ILE A 69 -9.892 3.320 -17.125 1.00 0.00 C ATOM 974 CG2 ILE A 69 -11.620 2.168 -18.512 1.00 0.00 C ATOM 975 CD1 ILE A 69 -9.605 4.259 -15.980 1.00 0.00 C ATOM 0 H ILE A 69 -12.169 6.057 -17.279 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.535 4.692 -19.318 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.026 3.582 -16.958 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -9.763 2.296 -16.773 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.147 3.486 -17.903 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -11.524 1.314 -17.842 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.641 2.220 -18.890 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -10.929 2.053 -19.347 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -8.594 4.085 -15.612 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -9.694 5.290 -16.324 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.319 4.082 -15.176 1.00 0.00 H new ATOM 987 N LEU A 70 -12.593 4.325 -20.727 1.00 0.00 N ATOM 988 CA LEU A 70 -13.720 4.273 -21.608 1.00 0.00 C ATOM 989 C LEU A 70 -14.430 2.953 -21.443 1.00 0.00 C ATOM 990 O LEU A 70 -13.837 1.975 -20.992 1.00 0.00 O ATOM 991 CB LEU A 70 -13.321 4.515 -23.076 1.00 0.00 C ATOM 992 CG LEU A 70 -12.881 5.943 -23.494 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.596 6.390 -22.809 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.726 6.028 -25.002 1.00 0.00 C ATOM 0 H LEU A 70 -11.713 4.042 -21.159 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.401 5.080 -21.338 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.505 3.833 -23.315 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.168 4.232 -23.701 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.669 6.622 -23.168 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.338 7.396 -23.140 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.741 6.390 -21.729 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.789 5.705 -23.067 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.417 7.036 -25.280 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.972 5.313 -25.331 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.678 5.796 -25.479 1.00 0.00 H new ATOM 1006 N THR A 71 -15.648 2.914 -21.884 1.00 0.00 N ATOM 1007 CA THR A 71 -16.568 1.801 -21.647 1.00 0.00 C ATOM 1008 C THR A 71 -16.145 0.447 -22.256 1.00 0.00 C ATOM 1009 O THR A 71 -16.710 -0.594 -21.919 1.00 0.00 O ATOM 1010 CB THR A 71 -17.987 2.173 -22.103 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.938 2.698 -23.445 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.595 3.209 -21.172 1.00 0.00 C ATOM 0 H THR A 71 -16.059 3.667 -22.436 1.00 0.00 H new ATOM 0 HA THR A 71 -16.541 1.642 -20.569 1.00 0.00 H new ATOM 0 HB THR A 71 -18.608 1.278 -22.079 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.843 2.934 -23.737 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.600 3.459 -21.512 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.644 2.805 -20.161 1.00 0.00 H new ATOM 0 HG23 THR A 71 -17.977 4.107 -21.174 1.00 0.00 H new ATOM 1020 N ASN A 72 -15.195 0.445 -23.166 1.00 0.00 N ATOM 1021 CA ASN A 72 -14.741 -0.805 -23.723 1.00 0.00 C ATOM 1022 C ASN A 72 -13.385 -1.194 -23.137 1.00 0.00 C ATOM 1023 O ASN A 72 -12.774 -2.194 -23.541 1.00 0.00 O ATOM 1024 CB ASN A 72 -14.683 -0.744 -25.251 1.00 0.00 C ATOM 1025 CG ASN A 72 -13.515 0.042 -25.805 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -12.454 -0.515 -26.042 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -13.702 1.320 -26.046 1.00 0.00 N ATOM 0 H ASN A 72 -14.731 1.278 -23.528 1.00 0.00 H new ATOM 0 HA ASN A 72 -15.463 -1.576 -23.453 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -14.638 -1.761 -25.641 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -15.609 -0.302 -25.620 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -12.948 1.880 -26.444 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -14.602 1.752 -25.836 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.918 -0.403 -22.188 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.674 -0.686 -21.534 1.00 0.00 C ATOM 1036 C GLY A 73 -10.541 0.131 -22.086 1.00 0.00 C ATOM 1037 O GLY A 73 -9.376 -0.140 -21.794 1.00 0.00 O ATOM 0 H GLY A 73 -13.390 0.440 -21.860 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.774 -0.489 -20.467 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.442 -1.745 -21.643 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.859 1.114 -22.904 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.837 1.949 -23.467 1.00 0.00 C ATOM 1043 C LYS A 74 -9.430 3.029 -22.530 1.00 0.00 C ATOM 1044 O LYS A 74 -10.203 3.465 -21.679 1.00 0.00 O ATOM 1045 CB LYS A 74 -10.246 2.571 -24.798 1.00 0.00 C ATOM 1046 CG LYS A 74 -10.314 1.606 -25.945 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.963 1.000 -26.251 1.00 0.00 C ATOM 1048 CE LYS A 74 -9.069 -0.013 -27.360 1.00 0.00 C ATOM 1049 NZ LYS A 74 -9.565 0.585 -28.613 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.811 1.347 -23.187 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.990 1.287 -23.647 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.222 3.042 -24.679 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -9.538 3.362 -25.047 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.023 0.812 -25.711 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.691 2.119 -26.830 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -8.263 1.786 -26.536 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.562 0.525 -25.356 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.091 -0.461 -27.535 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.738 -0.817 -27.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -9.416 -0.081 -29.398 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.580 0.791 -28.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -9.049 1.467 -28.805 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.221 3.435 -22.681 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.702 4.538 -21.968 1.00 0.00 C ATOM 1065 C GLN A 75 -7.898 5.749 -22.844 1.00 0.00 C ATOM 1066 O GLN A 75 -8.071 5.619 -24.080 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.207 4.357 -21.611 1.00 0.00 C ATOM 1068 CG GLN A 75 -5.883 3.147 -20.716 1.00 0.00 C ATOM 1069 CD GLN A 75 -6.034 1.802 -21.419 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -5.834 1.690 -22.631 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -6.356 0.783 -20.685 1.00 0.00 N ATOM 0 H GLN A 75 -7.554 2.999 -23.317 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.223 4.643 -21.016 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.639 4.265 -22.537 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -5.858 5.261 -21.111 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -4.861 3.242 -20.349 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -6.537 3.166 -19.845 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -6.516 0.905 -19.685 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.450 -0.141 -21.108 1.00 0.00 H new ATOM 1080 N ALA A 76 -7.896 6.884 -22.247 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.142 8.101 -22.938 1.00 0.00 C ATOM 1082 C ALA A 76 -6.894 8.602 -23.645 1.00 0.00 C ATOM 1083 O ALA A 76 -5.759 8.214 -23.296 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.639 9.140 -21.960 1.00 0.00 C ATOM 0 H ALA A 76 -7.721 6.998 -21.249 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.900 7.918 -23.699 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.829 10.075 -22.487 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.562 8.791 -21.496 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -7.886 9.304 -21.190 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.094 9.414 -24.697 1.00 0.00 N ATOM 1091 CA PRO A 77 -6.015 10.119 -25.378 1.00 0.00 C ATOM 1092 C PRO A 77 -5.203 10.947 -24.380 1.00 0.00 C ATOM 1093 O PRO A 77 -5.700 11.313 -23.303 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.750 11.066 -26.328 1.00 0.00 C ATOM 1095 CG PRO A 77 -8.090 10.468 -26.546 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.402 9.650 -25.330 1.00 0.00 C ATOM 0 HA PRO A 77 -5.323 9.441 -25.878 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -6.833 12.064 -25.897 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.211 11.170 -27.270 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.841 11.245 -26.693 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.095 9.847 -27.442 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.078 10.180 -24.658 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.888 8.712 -25.597 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.989 11.265 -24.728 1.00 0.00 N ATOM 1105 CA ASP A 78 -3.125 12.010 -23.835 1.00 0.00 C ATOM 1106 C ASP A 78 -3.555 13.461 -23.760 1.00 0.00 C ATOM 1107 O ASP A 78 -3.368 14.133 -22.747 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.666 11.896 -24.255 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.737 12.592 -23.289 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -0.538 12.080 -22.156 1.00 0.00 O1- ATOM 1111 OD2 ASP A 78 -0.185 13.649 -23.631 1.00 0.00 O ATOM 0 H ASP A 78 -3.567 11.023 -25.625 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.217 11.575 -22.840 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -1.391 10.844 -24.326 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.541 12.325 -25.249 1.00 0.00 H new ATOM 1116 N TRP A 79 -4.181 13.914 -24.820 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.665 15.271 -24.901 1.00 0.00 C ATOM 1118 C TRP A 79 -6.007 15.432 -24.191 1.00 0.00 C ATOM 1119 O TRP A 79 -6.518 16.529 -24.074 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.749 15.740 -26.371 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.622 14.908 -27.260 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -5.215 13.899 -28.053 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -7.041 15.031 -27.462 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -6.278 13.364 -28.735 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -7.411 14.044 -28.390 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -8.032 15.874 -26.943 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.723 13.875 -28.816 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -9.335 15.703 -27.367 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.668 14.712 -28.295 1.00 0.00 C ATOM 0 H TRP A 79 -4.369 13.352 -25.650 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.947 15.909 -24.385 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -5.116 16.766 -26.387 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.742 15.754 -26.789 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -4.194 13.558 -28.140 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -6.230 12.586 -29.392 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.782 16.642 -26.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.985 13.110 -29.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -10.110 16.346 -26.975 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.696 14.606 -28.607 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.573 14.346 -23.729 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.821 14.412 -23.030 1.00 0.00 C ATOM 1142 C LEU A 80 -7.529 14.421 -21.545 1.00 0.00 C ATOM 1143 O LEU A 80 -7.092 13.410 -20.967 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.745 13.245 -23.423 1.00 0.00 C ATOM 1145 CG LEU A 80 -10.146 13.256 -22.791 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.895 14.532 -23.148 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.948 12.039 -23.226 1.00 0.00 C ATOM 0 H LEU A 80 -6.186 13.408 -23.827 1.00 0.00 H new ATOM 0 HA LEU A 80 -8.352 15.324 -23.302 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.857 13.245 -24.507 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.253 12.311 -23.153 1.00 0.00 H new ATOM 0 HG LEU A 80 -10.021 13.220 -21.709 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.883 14.515 -22.688 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -10.339 15.395 -22.781 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -11.000 14.602 -24.231 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.935 12.070 -22.765 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -11.054 12.042 -24.311 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.431 11.132 -22.914 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.738 15.548 -20.938 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.406 15.719 -19.557 1.00 0.00 C ATOM 1161 C ALA A 81 -8.643 15.699 -18.724 1.00 0.00 C ATOM 1162 O ALA A 81 -9.720 16.050 -19.195 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.643 17.015 -19.342 1.00 0.00 C ATOM 0 H ALA A 81 -8.142 16.372 -21.383 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.764 14.892 -19.252 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.401 17.124 -18.285 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.722 16.996 -19.925 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -7.258 17.856 -19.662 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.489 15.286 -17.508 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.563 15.227 -16.561 1.00 0.00 C ATOM 1171 C ALA A 82 -9.020 15.522 -15.181 1.00 0.00 C ATOM 1172 O ALA A 82 -8.025 14.921 -14.760 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.223 13.853 -16.588 1.00 0.00 C ATOM 0 H ALA A 82 -7.594 14.972 -17.134 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.317 15.969 -16.822 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.036 13.826 -15.863 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.619 13.659 -17.585 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.486 13.090 -16.336 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.649 16.434 -14.497 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.258 16.802 -13.167 1.00 0.00 C ATOM 1181 C GLU A 83 -10.408 16.509 -12.226 1.00 0.00 C ATOM 1182 O GLU A 83 -11.572 16.748 -12.583 1.00 0.00 O ATOM 1183 CB GLU A 83 -8.885 18.286 -13.074 1.00 0.00 C ATOM 1184 CG GLU A 83 -7.739 18.716 -13.974 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.335 20.156 -13.743 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.195 21.065 -13.821 1.00 0.00 O1- ATOM 1187 OE2 GLU A 83 -6.149 20.405 -13.436 1.00 0.00 O ATOM 0 H GLU A 83 -10.456 16.948 -14.851 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.376 16.223 -12.893 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.764 18.882 -13.319 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.622 18.515 -12.041 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -6.880 18.068 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.030 18.586 -15.016 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.110 15.938 -11.056 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.108 15.630 -10.036 1.00 0.00 C ATOM 1196 C PRO A 84 -11.793 16.885 -9.507 1.00 0.00 C ATOM 1197 O PRO A 84 -11.129 17.835 -9.046 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.278 14.944 -8.938 1.00 0.00 C ATOM 1199 CG PRO A 84 -8.891 15.377 -9.179 1.00 0.00 C ATOM 1200 CD PRO A 84 -8.777 15.484 -10.647 1.00 0.00 C ATOM 0 HA PRO A 84 -11.921 15.012 -10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.617 15.240 -7.945 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.368 13.859 -8.995 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.686 16.332 -8.696 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.177 14.657 -8.779 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.003 16.193 -10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.521 14.527 -11.102 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.092 16.904 -9.581 1.00 0.00 N ATOM 1209 CA TYR A 85 -13.857 18.024 -9.154 1.00 0.00 C ATOM 1210 C TYR A 85 -14.654 17.648 -7.914 1.00 0.00 C ATOM 1211 O TYR A 85 -15.737 17.033 -8.035 1.00 0.00 O ATOM 1212 CB TYR A 85 -14.764 18.513 -10.281 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.515 19.798 -9.992 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.949 21.031 -10.285 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -16.788 19.779 -9.440 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -15.627 22.204 -10.034 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.472 20.945 -9.190 1.00 0.00 C ATOM 1218 CZ TYR A 85 -16.887 22.154 -9.488 1.00 0.00 C ATOM 1219 OH TYR A 85 -17.577 23.326 -9.243 1.00 0.00 O ATOM 1220 OXT TYR A 85 -14.183 17.940 -6.806 1.00 0.00 O1- ATOM 0 H TYR A 85 -13.650 16.131 -9.944 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.190 18.847 -8.897 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.159 18.658 -11.176 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.488 17.731 -10.509 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.960 21.072 -10.717 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.249 18.832 -9.203 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -15.171 23.156 -10.265 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.463 20.912 -8.762 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.453 23.115 -8.857 1.00 0.00 H new