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 Set 1.1: A 64 GLN : amide:sc= -0.196 K(o=0.75,f=-0.083) USER MOD Set 1.2: A 65 ASN : amide:sc= 0.948 K(o=0.75,f=-0.083) USER MOD Single : A 27 TYR OH : rot 130:sc= 0 USER MOD Single : A 28 TYR OH : rot 33:sc= 1.26 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= -0.504 USER MOD Single : A 40 MET CE :methyl -165:sc= -0.127 (180deg=-0.54) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -29:sc= 0.206 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -13:sc= 1.14 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HE2:sc= -0.536 K(o=-0.54,f=-4.7!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 170:sc= -0.274 USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.52) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.187 X(o=-0.19,f=0) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 224 N ALA A 22 -14.219 14.541 -4.957 1.00 0.00 N ATOM 225 CA ALA A 22 -15.018 15.108 -6.013 1.00 0.00 C ATOM 226 C ALA A 22 -16.129 14.175 -6.436 1.00 0.00 C ATOM 227 O ALA A 22 -16.018 12.949 -6.289 1.00 0.00 O ATOM 228 CB ALA A 22 -14.135 15.413 -7.187 1.00 0.00 C ATOM 0 HA ALA A 22 -15.480 16.022 -5.640 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -14.733 15.843 -7.990 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -13.365 16.124 -6.888 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -13.664 14.494 -7.537 1.00 0.00 H new ATOM 234 N ARG A 23 -17.210 14.749 -6.921 1.00 0.00 N ATOM 235 CA ARG A 23 -18.333 13.962 -7.402 1.00 0.00 C ATOM 236 C ARG A 23 -18.502 14.182 -8.903 1.00 0.00 C ATOM 237 O ARG A 23 -19.376 13.591 -9.549 1.00 0.00 O ATOM 238 CB ARG A 23 -19.622 14.313 -6.647 1.00 0.00 C ATOM 239 CG ARG A 23 -19.476 14.234 -5.132 1.00 0.00 C ATOM 240 CD ARG A 23 -20.802 14.375 -4.417 1.00 0.00 C ATOM 241 NE ARG A 23 -21.644 13.179 -4.577 1.00 0.00 N ATOM 242 CZ ARG A 23 -22.898 13.054 -4.127 1.00 0.00 C ATOM 243 NH1 ARG A 23 -23.535 14.107 -3.625 1.00 0.00 N1+ ATOM 244 NH2 ARG A 23 -23.513 11.870 -4.193 1.00 0.00 N ATOM 0 H ARG A 23 -17.338 15.758 -6.994 1.00 0.00 H new ATOM 0 HA ARG A 23 -18.128 12.908 -7.217 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -19.933 15.321 -6.923 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -20.416 13.637 -6.964 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -19.021 13.281 -4.863 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.799 15.018 -4.794 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -20.625 14.555 -3.357 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -21.332 15.246 -4.804 1.00 0.00 H new ATOM 0 HE ARG A 23 -21.240 12.382 -5.070 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -23.068 15.013 -3.582 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -24.491 14.009 -3.283 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -23.027 11.064 -4.586 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -24.469 11.772 -3.851 1.00 0.00 H new ATOM 258 N PHE A 24 -17.663 15.038 -9.451 1.00 0.00 N ATOM 259 CA PHE A 24 -17.647 15.322 -10.863 1.00 0.00 C ATOM 260 C PHE A 24 -16.213 15.387 -11.329 1.00 0.00 C ATOM 261 O PHE A 24 -15.302 15.483 -10.520 1.00 0.00 O ATOM 262 CB PHE A 24 -18.343 16.661 -11.198 1.00 0.00 C ATOM 263 CG PHE A 24 -19.826 16.700 -10.941 1.00 0.00 C ATOM 264 CD1 PHE A 24 -20.323 17.023 -9.691 1.00 0.00 C ATOM 265 CD2 PHE A 24 -20.721 16.424 -11.959 1.00 0.00 C ATOM 266 CE1 PHE A 24 -21.676 17.066 -9.459 1.00 0.00 C ATOM 267 CE2 PHE A 24 -22.080 16.469 -11.734 1.00 0.00 C ATOM 268 CZ PHE A 24 -22.555 16.790 -10.481 1.00 0.00 C ATOM 0 H PHE A 24 -16.967 15.559 -8.918 1.00 0.00 H new ATOM 0 HA PHE A 24 -18.193 14.527 -11.371 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -17.870 17.452 -10.617 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -18.167 16.889 -12.249 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -19.637 17.244 -8.886 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -20.351 16.170 -12.941 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -22.049 17.316 -8.477 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -22.770 16.254 -12.537 1.00 0.00 H new ATOM 0 HZ PHE A 24 -23.619 16.825 -10.301 1.00 0.00 H new ATOM 278 N CYS A 25 -16.024 15.286 -12.598 1.00 0.00 N ATOM 279 CA CYS A 25 -14.747 15.443 -13.207 1.00 0.00 C ATOM 280 C CYS A 25 -14.852 16.447 -14.327 1.00 0.00 C ATOM 281 O CYS A 25 -15.876 16.505 -15.017 1.00 0.00 O ATOM 282 CB CYS A 25 -14.260 14.117 -13.769 1.00 0.00 C ATOM 283 SG CYS A 25 -13.874 12.854 -12.529 1.00 0.00 S ATOM 0 H CYS A 25 -16.773 15.086 -13.261 1.00 0.00 H new ATOM 0 HA CYS A 25 -14.038 15.790 -12.456 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -15.022 13.723 -14.442 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -13.369 14.300 -14.369 1.00 0.00 H new ATOM 288 N VAL A 26 -13.842 17.251 -14.477 1.00 0.00 N ATOM 289 CA VAL A 26 -13.759 18.197 -15.558 1.00 0.00 C ATOM 290 C VAL A 26 -12.795 17.693 -16.610 1.00 0.00 C ATOM 291 O VAL A 26 -11.637 17.417 -16.312 1.00 0.00 O ATOM 292 CB VAL A 26 -13.348 19.625 -15.091 1.00 0.00 C ATOM 293 CG1 VAL A 26 -14.533 20.363 -14.523 1.00 0.00 C ATOM 294 CG2 VAL A 26 -12.253 19.574 -14.041 1.00 0.00 C ATOM 0 H VAL A 26 -13.041 17.271 -13.846 1.00 0.00 H new ATOM 0 HA VAL A 26 -14.760 18.285 -15.981 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.973 20.151 -15.969 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -14.223 21.358 -14.203 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -15.306 20.452 -15.286 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -14.928 19.814 -13.668 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.991 20.588 -13.739 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.606 19.016 -13.174 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.374 19.081 -14.456 1.00 0.00 H new ATOM 304 N TYR A 27 -13.284 17.522 -17.815 1.00 0.00 N ATOM 305 CA TYR A 27 -12.445 17.067 -18.910 1.00 0.00 C ATOM 306 C TYR A 27 -12.003 18.225 -19.757 1.00 0.00 C ATOM 307 O TYR A 27 -12.773 19.166 -19.994 1.00 0.00 O ATOM 308 CB TYR A 27 -13.134 16.011 -19.776 1.00 0.00 C ATOM 309 CG TYR A 27 -13.279 14.655 -19.117 1.00 0.00 C ATOM 310 CD1 TYR A 27 -14.180 14.442 -18.084 1.00 0.00 C ATOM 311 CD2 TYR A 27 -12.504 13.583 -19.535 1.00 0.00 C ATOM 312 CE1 TYR A 27 -14.301 13.201 -17.490 1.00 0.00 C ATOM 313 CE2 TYR A 27 -12.624 12.343 -18.948 1.00 0.00 C ATOM 314 CZ TYR A 27 -13.525 12.157 -17.926 1.00 0.00 C ATOM 315 OH TYR A 27 -13.651 10.920 -17.339 1.00 0.00 O ATOM 0 H TYR A 27 -14.258 17.690 -18.067 1.00 0.00 H new ATOM 0 HA TYR A 27 -11.570 16.597 -18.461 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -14.124 16.375 -20.051 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -12.569 15.893 -20.701 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -14.796 15.259 -17.739 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -11.793 13.724 -20.336 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -15.005 13.053 -16.684 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -12.013 11.520 -19.289 1.00 0.00 H new ATOM 0 HH TYR A 27 -13.762 10.238 -18.034 1.00 0.00 H new ATOM 325 N TYR A 28 -10.783 18.167 -20.199 1.00 0.00 N ATOM 326 CA TYR A 28 -10.199 19.208 -20.993 1.00 0.00 C ATOM 327 C TYR A 28 -9.594 18.641 -22.249 1.00 0.00 C ATOM 328 O TYR A 28 -9.081 17.511 -22.253 1.00 0.00 O ATOM 329 CB TYR A 28 -9.073 19.921 -20.243 1.00 0.00 C ATOM 330 CG TYR A 28 -9.442 20.570 -18.939 1.00 0.00 C ATOM 331 CD1 TYR A 28 -9.489 19.832 -17.773 1.00 0.00 C ATOM 332 CD2 TYR A 28 -9.700 21.930 -18.866 1.00 0.00 C ATOM 333 CE1 TYR A 28 -9.780 20.422 -16.578 1.00 0.00 C ATOM 334 CE2 TYR A 28 -10.002 22.529 -17.661 1.00 0.00 C ATOM 335 CZ TYR A 28 -10.036 21.763 -16.521 1.00 0.00 C ATOM 336 OH TYR A 28 -10.304 22.342 -15.307 1.00 0.00 O ATOM 0 H TYR A 28 -10.155 17.384 -20.016 1.00 0.00 H new ATOM 0 HA TYR A 28 -11.002 19.908 -21.224 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -8.279 19.199 -20.052 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.657 20.686 -20.899 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.292 18.771 -17.808 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.664 22.528 -19.764 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -9.808 19.829 -15.676 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.209 23.588 -17.614 1.00 0.00 H new ATOM 0 HH TYR A 28 -9.797 21.882 -14.606 1.00 0.00 H new ATOM 346 N ASP A 29 -9.667 19.425 -23.288 1.00 0.00 N ATOM 347 CA ASP A 29 -9.002 19.160 -24.543 1.00 0.00 C ATOM 348 C ASP A 29 -7.611 19.719 -24.382 1.00 0.00 C ATOM 349 O ASP A 29 -7.424 20.953 -24.349 1.00 0.00 O ATOM 350 CB ASP A 29 -9.721 19.904 -25.681 1.00 0.00 C ATOM 351 CG ASP A 29 -9.144 19.657 -27.070 1.00 0.00 C ATOM 352 OD1 ASP A 29 -7.952 19.906 -27.298 1.00 0.00 O ATOM 353 OD2 ASP A 29 -9.910 19.293 -27.978 1.00 0.00 O1- ATOM 0 H ASP A 29 -10.205 20.292 -23.290 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.997 18.097 -24.784 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.771 19.611 -25.682 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -9.689 20.974 -25.474 1.00 0.00 H new ATOM 358 N GLY A 30 -6.670 18.859 -24.190 1.00 0.00 N ATOM 359 CA GLY A 30 -5.328 19.272 -23.950 1.00 0.00 C ATOM 360 C GLY A 30 -4.977 19.047 -22.510 1.00 0.00 C ATOM 361 O GLY A 30 -5.810 19.237 -21.619 1.00 0.00 O ATOM 0 H GLY A 30 -6.808 17.848 -24.195 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -4.646 18.714 -24.591 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -5.212 20.326 -24.202 1.00 0.00 H new ATOM 365 N HIS A 31 -3.765 18.664 -22.271 1.00 0.00 N ATOM 366 CA HIS A 31 -3.342 18.340 -20.914 1.00 0.00 C ATOM 367 C HIS A 31 -2.397 19.401 -20.376 1.00 0.00 C ATOM 368 O HIS A 31 -1.831 19.270 -19.282 1.00 0.00 O ATOM 369 CB HIS A 31 -2.704 16.930 -20.830 1.00 0.00 C ATOM 370 CG HIS A 31 -1.388 16.772 -21.540 1.00 0.00 C ATOM 371 ND1 HIS A 31 -0.183 16.674 -20.889 1.00 0.00 N ATOM 372 CD2 HIS A 31 -1.110 16.680 -22.856 1.00 0.00 C ATOM 373 CE1 HIS A 31 0.770 16.529 -21.797 1.00 0.00 C ATOM 374 NE2 HIS A 31 0.265 16.523 -23.022 1.00 0.00 N ATOM 0 H HIS A 31 -3.041 18.563 -22.982 1.00 0.00 H new ATOM 0 HA HIS A 31 -4.234 18.327 -20.287 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -2.563 16.676 -19.779 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -3.408 16.207 -21.241 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.837 16.721 -23.654 1.00 0.00 H new ATOM 0 HE1 HIS A 31 1.821 16.429 -21.569 1.00 0.00 H new ATOM 0 HE2 HIS A 31 0.774 16.424 -23.900 1.00 0.00 H new ATOM 382 N LEU A 32 -2.238 20.449 -21.134 1.00 0.00 N ATOM 383 CA LEU A 32 -1.380 21.518 -20.750 1.00 0.00 C ATOM 384 C LEU A 32 -2.234 22.545 -20.023 1.00 0.00 C ATOM 385 O LEU A 32 -3.180 23.056 -20.606 1.00 0.00 O ATOM 386 CB LEU A 32 -0.730 22.140 -21.982 1.00 0.00 C ATOM 387 CG LEU A 32 0.396 23.127 -21.705 1.00 0.00 C ATOM 388 CD1 LEU A 32 1.619 22.408 -21.147 1.00 0.00 C ATOM 389 CD2 LEU A 32 0.751 23.897 -22.950 1.00 0.00 C ATOM 0 H LEU A 32 -2.702 20.580 -22.033 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.581 21.159 -20.101 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.340 21.338 -22.609 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.501 22.649 -22.560 1.00 0.00 H new ATOM 0 HG LEU A 32 0.048 23.837 -20.955 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.411 23.132 -20.956 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.353 21.907 -20.216 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.968 21.670 -21.869 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.557 24.596 -22.728 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.075 23.204 -23.726 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.122 24.449 -23.298 1.00 0.00 H new ATOM 401 N PRO A 33 -1.899 22.864 -18.754 1.00 0.00 N ATOM 402 CA PRO A 33 -2.719 23.726 -17.868 1.00 0.00 C ATOM 403 C PRO A 33 -3.235 25.026 -18.512 1.00 0.00 C ATOM 404 O PRO A 33 -4.370 25.430 -18.279 1.00 0.00 O ATOM 405 CB PRO A 33 -1.798 24.037 -16.678 1.00 0.00 C ATOM 406 CG PRO A 33 -0.470 23.442 -17.005 1.00 0.00 C ATOM 407 CD PRO A 33 -0.692 22.400 -18.057 1.00 0.00 C ATOM 0 HA PRO A 33 -3.636 23.203 -17.597 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -1.714 25.113 -16.523 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -2.197 23.613 -15.757 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.216 24.209 -17.364 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -0.018 23.000 -16.117 1.00 0.00 H new ATOM 0 HD2 PRO A 33 0.159 22.327 -18.734 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.837 21.412 -17.619 1.00 0.00 H new ATOM 415 N ALA A 34 -2.435 25.650 -19.335 1.00 0.00 N ATOM 416 CA ALA A 34 -2.850 26.888 -19.952 1.00 0.00 C ATOM 417 C ALA A 34 -3.671 26.656 -21.222 1.00 0.00 C ATOM 418 O ALA A 34 -4.795 27.125 -21.333 1.00 0.00 O ATOM 419 CB ALA A 34 -1.655 27.760 -20.244 1.00 0.00 C ATOM 0 H ALA A 34 -1.502 25.329 -19.594 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.497 27.401 -19.241 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -1.987 28.688 -20.709 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.134 27.986 -19.314 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.979 27.237 -20.921 1.00 0.00 H new ATOM 425 N THR A 35 -3.146 25.877 -22.132 1.00 0.00 N ATOM 426 CA THR A 35 -3.745 25.714 -23.449 1.00 0.00 C ATOM 427 C THR A 35 -4.905 24.674 -23.456 1.00 0.00 C ATOM 428 O THR A 35 -5.492 24.380 -24.501 1.00 0.00 O ATOM 429 CB THR A 35 -2.632 25.303 -24.431 1.00 0.00 C ATOM 430 OG1 THR A 35 -1.489 26.132 -24.166 1.00 0.00 O ATOM 431 CG2 THR A 35 -3.051 25.526 -25.879 1.00 0.00 C ATOM 0 H THR A 35 -2.293 25.335 -21.990 1.00 0.00 H new ATOM 0 HA THR A 35 -4.193 26.661 -23.751 1.00 0.00 H new ATOM 0 HB THR A 35 -2.416 24.243 -24.294 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.762 25.891 -24.777 1.00 0.00 H new ATOM 0 HG21 THR A 35 -2.241 25.225 -26.543 1.00 0.00 H new ATOM 0 HG22 THR A 35 -3.938 24.932 -26.097 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.274 26.581 -26.035 1.00 0.00 H new ATOM 439 N ARG A 36 -5.249 24.159 -22.303 1.00 0.00 N ATOM 440 CA ARG A 36 -6.309 23.178 -22.202 1.00 0.00 C ATOM 441 C ARG A 36 -7.679 23.863 -22.348 1.00 0.00 C ATOM 442 O ARG A 36 -7.875 25.004 -21.901 1.00 0.00 O ATOM 443 CB ARG A 36 -6.205 22.434 -20.871 1.00 0.00 C ATOM 444 CG ARG A 36 -6.421 23.326 -19.669 1.00 0.00 C ATOM 445 CD ARG A 36 -6.238 22.592 -18.369 1.00 0.00 C ATOM 446 NE ARG A 36 -6.526 23.471 -17.238 1.00 0.00 N ATOM 447 CZ ARG A 36 -6.514 23.100 -15.952 1.00 0.00 C ATOM 448 NH1 ARG A 36 -5.991 21.928 -15.607 1.00 0.00 N1+ ATOM 449 NH2 ARG A 36 -6.968 23.930 -15.010 1.00 0.00 N ATOM 0 H ARG A 36 -4.810 24.402 -21.415 1.00 0.00 H new ATOM 0 HA ARG A 36 -6.206 22.452 -23.008 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.940 21.629 -20.854 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -5.222 21.970 -20.798 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -5.724 24.163 -19.711 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.426 23.746 -19.708 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.897 21.724 -18.339 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.216 22.219 -18.296 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.754 24.443 -17.445 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.600 21.314 -16.321 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.980 21.643 -14.628 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -7.325 24.849 -15.270 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.958 23.645 -14.031 1.00 0.00 H new ATOM 463 N VAL A 37 -8.592 23.202 -23.004 1.00 0.00 N ATOM 464 CA VAL A 37 -9.932 23.738 -23.204 1.00 0.00 C ATOM 465 C VAL A 37 -10.924 22.907 -22.407 1.00 0.00 C ATOM 466 O VAL A 37 -11.025 21.711 -22.625 1.00 0.00 O ATOM 467 CB VAL A 37 -10.340 23.708 -24.711 1.00 0.00 C ATOM 468 CG1 VAL A 37 -11.704 24.351 -24.933 1.00 0.00 C ATOM 469 CG2 VAL A 37 -9.280 24.376 -25.582 1.00 0.00 C ATOM 0 H VAL A 37 -8.441 22.282 -23.417 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.938 24.775 -22.867 1.00 0.00 H new ATOM 0 HB VAL A 37 -10.413 22.661 -25.007 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.956 24.313 -25.993 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -12.458 23.811 -24.361 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.674 25.390 -24.604 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -9.591 24.340 -26.626 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -9.159 25.415 -25.275 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -8.332 23.851 -25.468 1.00 0.00 H new ATOM 479 N LEU A 38 -11.621 23.527 -21.469 1.00 0.00 N ATOM 480 CA LEU A 38 -12.607 22.822 -20.651 1.00 0.00 C ATOM 481 C LEU A 38 -13.754 22.350 -21.542 1.00 0.00 C ATOM 482 O LEU A 38 -14.398 23.151 -22.217 1.00 0.00 O ATOM 483 CB LEU A 38 -13.091 23.738 -19.485 1.00 0.00 C ATOM 484 CG LEU A 38 -14.052 23.146 -18.404 1.00 0.00 C ATOM 485 CD1 LEU A 38 -15.475 22.981 -18.905 1.00 0.00 C ATOM 486 CD2 LEU A 38 -13.531 21.821 -17.884 1.00 0.00 C ATOM 0 H LEU A 38 -11.525 24.519 -21.251 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.158 21.941 -20.193 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -12.205 24.110 -18.970 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -13.587 24.601 -19.929 1.00 0.00 H new ATOM 0 HG LEU A 38 -14.077 23.870 -17.590 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -16.095 22.566 -18.110 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -15.870 23.952 -19.204 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -15.483 22.306 -19.761 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -14.217 21.430 -17.133 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -13.452 21.112 -18.708 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -12.548 21.967 -17.436 1.00 0.00 H new ATOM 498 N LEU A 39 -13.980 21.066 -21.546 1.00 0.00 N ATOM 499 CA LEU A 39 -14.986 20.472 -22.380 1.00 0.00 C ATOM 500 C LEU A 39 -16.311 20.337 -21.659 1.00 0.00 C ATOM 501 O LEU A 39 -17.295 20.953 -22.063 1.00 0.00 O ATOM 502 CB LEU A 39 -14.513 19.112 -22.882 1.00 0.00 C ATOM 503 CG LEU A 39 -13.287 19.133 -23.787 1.00 0.00 C ATOM 504 CD1 LEU A 39 -12.820 17.724 -24.063 1.00 0.00 C ATOM 505 CD2 LEU A 39 -13.606 19.852 -25.094 1.00 0.00 C ATOM 0 H LEU A 39 -13.469 20.399 -20.968 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.145 21.135 -23.231 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -14.295 18.482 -22.019 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.333 18.639 -23.422 1.00 0.00 H new ATOM 0 HG LEU A 39 -12.487 19.673 -23.281 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -11.944 17.751 -24.711 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.562 17.236 -23.123 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.617 17.166 -24.555 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -12.721 19.859 -25.731 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -14.417 19.334 -25.606 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -13.908 20.877 -24.881 1.00 0.00 H new ATOM 517 N MET A 40 -16.338 19.558 -20.585 1.00 0.00 N ATOM 518 CA MET A 40 -17.581 19.285 -19.869 1.00 0.00 C ATOM 519 C MET A 40 -17.319 18.634 -18.539 1.00 0.00 C ATOM 520 O MET A 40 -16.183 18.186 -18.252 1.00 0.00 O ATOM 521 CB MET A 40 -18.524 18.398 -20.705 1.00 0.00 C ATOM 522 CG MET A 40 -17.952 17.040 -21.039 1.00 0.00 C ATOM 523 SD MET A 40 -19.078 15.998 -21.992 1.00 0.00 S ATOM 524 CE MET A 40 -20.449 15.818 -20.848 1.00 0.00 C ATOM 0 H MET A 40 -15.515 19.104 -20.190 1.00 0.00 H new ATOM 0 HA MET A 40 -18.065 20.246 -19.695 1.00 0.00 H new ATOM 0 HB2 MET A 40 -19.458 18.264 -20.160 1.00 0.00 H new ATOM 0 HB3 MET A 40 -18.768 18.917 -21.632 1.00 0.00 H new ATOM 0 HG2 MET A 40 -17.028 17.172 -21.602 1.00 0.00 H new ATOM 0 HG3 MET A 40 -17.691 16.527 -20.113 1.00 0.00 H new ATOM 0 HE1 MET A 40 -21.091 15.000 -21.175 1.00 0.00 H new ATOM 0 HE2 MET A 40 -20.065 15.601 -19.851 1.00 0.00 H new ATOM 0 HE3 MET A 40 -21.025 16.743 -20.822 1.00 0.00 H new ATOM 534 N TYR A 41 -18.358 18.607 -17.743 1.00 0.00 N ATOM 535 CA TYR A 41 -18.371 17.984 -16.443 1.00 0.00 C ATOM 536 C TYR A 41 -18.923 16.585 -16.593 1.00 0.00 C ATOM 537 O TYR A 41 -19.769 16.340 -17.455 1.00 0.00 O ATOM 538 CB TYR A 41 -19.287 18.751 -15.479 1.00 0.00 C ATOM 539 CG TYR A 41 -18.903 20.187 -15.203 1.00 0.00 C ATOM 540 CD1 TYR A 41 -18.067 20.505 -14.156 1.00 0.00 C ATOM 541 CD2 TYR A 41 -19.400 21.225 -15.980 1.00 0.00 C ATOM 542 CE1 TYR A 41 -17.733 21.814 -13.885 1.00 0.00 C ATOM 543 CE2 TYR A 41 -19.067 22.537 -15.716 1.00 0.00 C ATOM 544 CZ TYR A 41 -18.233 22.823 -14.666 1.00 0.00 C ATOM 545 OH TYR A 41 -17.896 24.129 -14.388 1.00 0.00 O ATOM 0 H TYR A 41 -19.251 19.034 -17.991 1.00 0.00 H new ATOM 0 HA TYR A 41 -17.356 17.977 -16.046 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -20.299 18.737 -15.883 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -19.315 18.214 -14.531 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -17.667 19.716 -13.537 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -20.059 21.001 -16.806 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.078 22.045 -13.058 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -19.460 23.333 -16.331 1.00 0.00 H new ATOM 0 HH TYR A 41 -18.331 24.724 -15.034 1.00 0.00 H new ATOM 555 N VAL A 42 -18.441 15.680 -15.796 1.00 0.00 N ATOM 556 CA VAL A 42 -18.925 14.310 -15.795 1.00 0.00 C ATOM 557 C VAL A 42 -19.130 13.853 -14.367 1.00 0.00 C ATOM 558 O VAL A 42 -18.231 13.980 -13.551 1.00 0.00 O ATOM 559 CB VAL A 42 -17.936 13.334 -16.505 1.00 0.00 C ATOM 560 CG1 VAL A 42 -18.431 11.892 -16.439 1.00 0.00 C ATOM 561 CG2 VAL A 42 -17.726 13.735 -17.951 1.00 0.00 C ATOM 0 H VAL A 42 -17.698 15.860 -15.121 1.00 0.00 H new ATOM 0 HA VAL A 42 -19.865 14.293 -16.347 1.00 0.00 H new ATOM 0 HB VAL A 42 -16.985 13.398 -15.976 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -17.718 11.239 -16.943 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -18.527 11.588 -15.397 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -19.401 11.818 -16.930 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -17.033 13.040 -18.424 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -18.680 13.711 -18.477 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -17.314 14.743 -17.993 1.00 0.00 H new ATOM 571 N ARG A 43 -20.315 13.389 -14.070 1.00 0.00 N ATOM 572 CA ARG A 43 -20.649 12.839 -12.778 1.00 0.00 C ATOM 573 C ARG A 43 -19.870 11.546 -12.529 1.00 0.00 C ATOM 574 O ARG A 43 -19.965 10.573 -13.311 1.00 0.00 O ATOM 575 CB ARG A 43 -22.153 12.557 -12.724 1.00 0.00 C ATOM 576 CG ARG A 43 -22.640 11.851 -11.466 1.00 0.00 C ATOM 577 CD ARG A 43 -22.552 12.722 -10.229 1.00 0.00 C ATOM 578 NE ARG A 43 -23.121 12.028 -9.077 1.00 0.00 N ATOM 579 CZ ARG A 43 -23.684 12.602 -8.014 1.00 0.00 C ATOM 580 NH1 ARG A 43 -23.659 13.925 -7.859 1.00 0.00 N1+ ATOM 581 NH2 ARG A 43 -24.275 11.849 -7.102 1.00 0.00 N ATOM 0 H ARG A 43 -21.092 13.382 -14.731 1.00 0.00 H new ATOM 0 HA ARG A 43 -20.381 13.558 -12.004 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -22.686 13.503 -12.819 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -22.423 11.950 -13.588 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -23.674 11.536 -11.609 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -22.050 10.948 -11.311 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -21.511 12.978 -10.030 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -23.084 13.658 -10.397 1.00 0.00 H new ATOM 0 HE ARG A 43 -23.084 11.009 -9.087 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -23.205 14.512 -8.559 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -24.094 14.351 -7.041 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -24.298 10.835 -7.214 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -24.708 12.282 -6.286 1.00 0.00 H new ATOM 595 N ILE A 44 -19.113 11.538 -11.465 1.00 0.00 N ATOM 596 CA ILE A 44 -18.372 10.369 -11.063 1.00 0.00 C ATOM 597 C ILE A 44 -19.356 9.292 -10.657 1.00 0.00 C ATOM 598 O ILE A 44 -20.212 9.504 -9.797 1.00 0.00 O ATOM 599 CB ILE A 44 -17.383 10.675 -9.904 1.00 0.00 C ATOM 600 CG1 ILE A 44 -16.328 11.681 -10.377 1.00 0.00 C ATOM 601 CG2 ILE A 44 -16.723 9.397 -9.392 1.00 0.00 C ATOM 602 CD1 ILE A 44 -15.308 12.059 -9.325 1.00 0.00 C ATOM 0 H ILE A 44 -18.991 12.343 -10.850 1.00 0.00 H new ATOM 0 HA ILE A 44 -17.768 10.029 -11.904 1.00 0.00 H new ATOM 0 HB ILE A 44 -17.941 11.110 -9.075 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -15.806 11.264 -11.238 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -16.833 12.585 -10.718 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.036 9.642 -8.582 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.489 8.714 -9.025 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -16.172 8.922 -10.204 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -14.600 12.774 -9.745 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -15.815 12.509 -8.471 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -14.773 11.167 -9.000 1.00 0.00 H new ATOM 614 N GLY A 45 -19.262 8.177 -11.310 1.00 0.00 N ATOM 615 CA GLY A 45 -20.174 7.109 -11.093 1.00 0.00 C ATOM 616 C GLY A 45 -20.932 6.820 -12.355 1.00 0.00 C ATOM 617 O GLY A 45 -21.494 5.738 -12.518 1.00 0.00 O ATOM 0 H GLY A 45 -18.546 7.985 -12.011 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -19.634 6.218 -10.771 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -20.868 7.368 -10.293 1.00 0.00 H new ATOM 621 N THR A 46 -20.918 7.765 -13.272 1.00 0.00 N ATOM 622 CA THR A 46 -21.631 7.597 -14.507 1.00 0.00 C ATOM 623 C THR A 46 -20.701 7.654 -15.702 1.00 0.00 C ATOM 624 O THR A 46 -19.477 7.947 -15.577 1.00 0.00 O ATOM 625 CB THR A 46 -22.767 8.649 -14.674 1.00 0.00 C ATOM 626 OG1 THR A 46 -22.238 9.989 -14.652 1.00 0.00 O ATOM 627 CG2 THR A 46 -23.826 8.502 -13.586 1.00 0.00 C ATOM 0 H THR A 46 -20.421 8.651 -13.180 1.00 0.00 H new ATOM 0 HA THR A 46 -22.085 6.607 -14.464 1.00 0.00 H new ATOM 0 HB THR A 46 -23.233 8.466 -15.642 1.00 0.00 H new ATOM 0 HG1 THR A 46 -21.425 10.011 -14.106 1.00 0.00 H new ATOM 0 HG21 THR A 46 -24.604 9.251 -13.732 1.00 0.00 H new ATOM 0 HG22 THR A 46 -24.266 7.506 -13.639 1.00 0.00 H new ATOM 0 HG23 THR A 46 -23.365 8.643 -12.608 1.00 0.00 H new ATOM 635 N THR A 47 -21.251 7.319 -16.824 1.00 0.00 N ATOM 636 CA THR A 47 -20.581 7.440 -18.061 1.00 0.00 C ATOM 637 C THR A 47 -21.048 8.700 -18.752 1.00 0.00 C ATOM 638 O THR A 47 -22.147 9.197 -18.485 1.00 0.00 O ATOM 639 CB THR A 47 -20.844 6.236 -18.984 1.00 0.00 C ATOM 640 OG1 THR A 47 -22.262 6.047 -19.183 1.00 0.00 O ATOM 641 CG2 THR A 47 -20.230 4.959 -18.439 1.00 0.00 C ATOM 0 H THR A 47 -22.198 6.947 -16.899 1.00 0.00 H new ATOM 0 HA THR A 47 -19.511 7.478 -17.858 1.00 0.00 H new ATOM 0 HB THR A 47 -20.370 6.457 -19.940 1.00 0.00 H new ATOM 0 HG1 THR A 47 -22.410 5.279 -19.773 1.00 0.00 H new ATOM 0 HG21 THR A 47 -20.439 4.135 -19.121 1.00 0.00 H new ATOM 0 HG22 THR A 47 -19.152 5.086 -18.343 1.00 0.00 H new ATOM 0 HG23 THR A 47 -20.658 4.738 -17.461 1.00 0.00 H new ATOM 649 N ALA A 48 -20.237 9.201 -19.608 1.00 0.00 N ATOM 650 CA ALA A 48 -20.561 10.381 -20.373 1.00 0.00 C ATOM 651 C ALA A 48 -19.819 10.359 -21.666 1.00 0.00 C ATOM 652 O ALA A 48 -18.725 9.807 -21.749 1.00 0.00 O ATOM 653 CB ALA A 48 -20.226 11.646 -19.601 1.00 0.00 C ATOM 0 H ALA A 48 -19.316 8.811 -19.811 1.00 0.00 H new ATOM 0 HA ALA A 48 -21.634 10.381 -20.568 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -20.481 12.518 -20.203 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -20.796 11.667 -18.672 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.160 11.662 -19.373 1.00 0.00 H new ATOM 659 N THR A 49 -20.402 10.923 -22.667 1.00 0.00 N ATOM 660 CA THR A 49 -19.774 10.993 -23.937 1.00 0.00 C ATOM 661 C THR A 49 -19.111 12.358 -24.082 1.00 0.00 C ATOM 662 O THR A 49 -19.782 13.391 -24.077 1.00 0.00 O ATOM 663 CB THR A 49 -20.803 10.806 -25.054 1.00 0.00 C ATOM 664 OG1 THR A 49 -21.654 9.686 -24.735 1.00 0.00 O ATOM 665 CG2 THR A 49 -20.106 10.550 -26.387 1.00 0.00 C ATOM 0 H THR A 49 -21.328 11.348 -22.626 1.00 0.00 H new ATOM 0 HA THR A 49 -19.029 10.201 -24.014 1.00 0.00 H new ATOM 0 HB THR A 49 -21.399 11.715 -25.140 1.00 0.00 H new ATOM 0 HG1 THR A 49 -21.260 9.176 -23.997 1.00 0.00 H new ATOM 0 HG21 THR A 49 -20.854 10.419 -27.169 1.00 0.00 H new ATOM 0 HG22 THR A 49 -19.468 11.399 -26.633 1.00 0.00 H new ATOM 0 HG23 THR A 49 -19.498 9.649 -26.312 1.00 0.00 H new ATOM 673 N ILE A 50 -17.820 12.355 -24.190 1.00 0.00 N ATOM 674 CA ILE A 50 -17.062 13.564 -24.361 1.00 0.00 C ATOM 675 C ILE A 50 -16.885 13.729 -25.843 1.00 0.00 C ATOM 676 O ILE A 50 -16.836 12.746 -26.570 1.00 0.00 O ATOM 677 CB ILE A 50 -15.645 13.434 -23.740 1.00 0.00 C ATOM 678 CG1 ILE A 50 -15.692 12.810 -22.341 1.00 0.00 C ATOM 679 CG2 ILE A 50 -14.936 14.787 -23.698 1.00 0.00 C ATOM 680 CD1 ILE A 50 -16.444 13.621 -21.312 1.00 0.00 C ATOM 0 H ILE A 50 -17.253 11.508 -24.162 1.00 0.00 H new ATOM 0 HA ILE A 50 -17.576 14.397 -23.883 1.00 0.00 H new ATOM 0 HB ILE A 50 -15.074 12.765 -24.384 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -16.152 11.824 -22.413 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -14.671 12.661 -21.990 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -13.946 14.666 -23.258 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -14.838 15.178 -24.711 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -15.518 15.484 -23.095 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -16.424 13.102 -20.354 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -15.974 14.598 -21.205 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -17.477 13.749 -21.634 1.00 0.00 H new ATOM 692 N THR A 51 -16.860 14.912 -26.297 1.00 0.00 N ATOM 693 CA THR A 51 -16.656 15.157 -27.687 1.00 0.00 C ATOM 694 C THR A 51 -15.624 16.261 -27.843 1.00 0.00 C ATOM 695 O THR A 51 -15.874 17.411 -27.484 1.00 0.00 O ATOM 696 CB THR A 51 -17.979 15.546 -28.372 1.00 0.00 C ATOM 697 OG1 THR A 51 -19.010 14.606 -27.990 1.00 0.00 O ATOM 698 CG2 THR A 51 -17.828 15.523 -29.889 1.00 0.00 C ATOM 0 H THR A 51 -16.979 15.750 -25.728 1.00 0.00 H new ATOM 0 HA THR A 51 -16.293 14.249 -28.168 1.00 0.00 H new ATOM 0 HB THR A 51 -18.249 16.554 -28.058 1.00 0.00 H new ATOM 0 HG1 THR A 51 -19.854 14.852 -28.423 1.00 0.00 H new ATOM 0 HG21 THR A 51 -18.774 15.801 -30.353 1.00 0.00 H new ATOM 0 HG22 THR A 51 -17.055 16.231 -30.188 1.00 0.00 H new ATOM 0 HG23 THR A 51 -17.546 14.521 -30.211 1.00 0.00 H new ATOM 706 N ALA A 52 -14.458 15.904 -28.303 1.00 0.00 N ATOM 707 CA ALA A 52 -13.412 16.869 -28.503 1.00 0.00 C ATOM 708 C ALA A 52 -12.866 16.705 -29.886 1.00 0.00 C ATOM 709 O ALA A 52 -12.569 15.592 -30.298 1.00 0.00 O ATOM 710 CB ALA A 52 -12.318 16.690 -27.471 1.00 0.00 C ATOM 0 H ALA A 52 -14.206 14.946 -28.548 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.814 17.875 -28.387 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.535 17.430 -27.639 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.735 16.823 -26.472 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.896 15.689 -27.558 1.00 0.00 H new ATOM 716 N ARG A 53 -12.745 17.816 -30.601 1.00 0.00 N ATOM 717 CA ARG A 53 -12.294 17.864 -32.010 1.00 0.00 C ATOM 718 C ARG A 53 -13.175 16.971 -32.883 1.00 0.00 C ATOM 719 O ARG A 53 -12.745 16.448 -33.912 1.00 0.00 O ATOM 720 CB ARG A 53 -10.842 17.442 -32.155 1.00 0.00 C ATOM 721 CG ARG A 53 -9.885 18.172 -31.247 1.00 0.00 C ATOM 722 CD ARG A 53 -8.453 17.799 -31.561 1.00 0.00 C ATOM 723 NE ARG A 53 -8.287 16.341 -31.720 1.00 0.00 N ATOM 724 CZ ARG A 53 -7.147 15.658 -31.581 1.00 0.00 C ATOM 725 NH1 ARG A 53 -6.060 16.238 -31.093 1.00 0.00 N1+ ATOM 726 NH2 ARG A 53 -7.122 14.373 -31.906 1.00 0.00 N ATOM 0 H ARG A 53 -12.960 18.737 -30.220 1.00 0.00 H new ATOM 0 HA ARG A 53 -12.380 18.899 -32.340 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.766 16.373 -31.958 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -10.533 17.598 -33.189 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -10.018 19.248 -31.361 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.108 17.931 -30.208 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -8.139 18.302 -32.475 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.802 18.154 -30.762 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.121 15.804 -31.958 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -6.086 17.220 -30.817 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -5.197 15.703 -30.993 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.965 13.919 -32.257 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.259 13.838 -31.805 1.00 0.00 H new ATOM 740 N GLY A 54 -14.403 16.806 -32.457 1.00 0.00 N ATOM 741 CA GLY A 54 -15.346 15.970 -33.154 1.00 0.00 C ATOM 742 C GLY A 54 -15.270 14.502 -32.740 1.00 0.00 C ATOM 743 O GLY A 54 -16.140 13.712 -33.114 1.00 0.00 O ATOM 0 H GLY A 54 -14.776 17.248 -31.617 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -16.355 16.341 -32.971 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -15.167 16.048 -34.226 1.00 0.00 H new ATOM 747 N HIS A 55 -14.255 14.136 -31.958 1.00 0.00 N ATOM 748 CA HIS A 55 -14.074 12.757 -31.547 1.00 0.00 C ATOM 749 C HIS A 55 -14.943 12.499 -30.341 1.00 0.00 C ATOM 750 O HIS A 55 -14.925 13.275 -29.377 1.00 0.00 O ATOM 751 CB HIS A 55 -12.613 12.441 -31.161 1.00 0.00 C ATOM 752 CG HIS A 55 -11.540 12.866 -32.125 1.00 0.00 C ATOM 753 ND1 HIS A 55 -11.298 12.289 -33.353 1.00 0.00 N ATOM 754 CD2 HIS A 55 -10.611 13.835 -31.986 1.00 0.00 C ATOM 755 CE1 HIS A 55 -10.252 12.915 -33.904 1.00 0.00 C ATOM 756 NE2 HIS A 55 -9.796 13.869 -33.107 1.00 0.00 N ATOM 0 H HIS A 55 -13.549 14.780 -31.600 1.00 0.00 H new ATOM 0 HA HIS A 55 -14.345 12.123 -32.391 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -12.408 12.911 -30.199 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -12.528 11.364 -31.014 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -11.824 11.520 -33.769 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -10.517 14.486 -31.130 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -9.835 12.674 -34.871 1.00 0.00 H new ATOM 764 N GLU A 56 -15.694 11.449 -30.391 1.00 0.00 N ATOM 765 CA GLU A 56 -16.579 11.090 -29.316 1.00 0.00 C ATOM 766 C GLU A 56 -15.960 10.007 -28.461 1.00 0.00 C ATOM 767 O GLU A 56 -15.566 8.948 -28.961 1.00 0.00 O ATOM 768 CB GLU A 56 -17.900 10.629 -29.875 1.00 0.00 C ATOM 769 CG GLU A 56 -18.645 11.721 -30.589 1.00 0.00 C ATOM 770 CD GLU A 56 -19.879 11.223 -31.253 1.00 0.00 C ATOM 771 OE1 GLU A 56 -20.844 10.866 -30.548 1.00 0.00 O ATOM 772 OE2 GLU A 56 -19.923 11.200 -32.497 1.00 0.00 O1- ATOM 0 H GLU A 56 -15.716 10.806 -31.183 1.00 0.00 H new ATOM 0 HA GLU A 56 -16.747 11.966 -28.689 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -17.729 9.802 -30.564 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -18.518 10.245 -29.064 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -18.909 12.503 -29.877 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -17.992 12.175 -31.334 1.00 0.00 H new ATOM 779 N PHE A 57 -15.851 10.277 -27.195 1.00 0.00 N ATOM 780 CA PHE A 57 -15.273 9.374 -26.260 1.00 0.00 C ATOM 781 C PHE A 57 -16.317 9.011 -25.230 1.00 0.00 C ATOM 782 O PHE A 57 -16.697 9.855 -24.420 1.00 0.00 O ATOM 783 CB PHE A 57 -14.109 10.062 -25.536 1.00 0.00 C ATOM 784 CG PHE A 57 -13.094 10.716 -26.433 1.00 0.00 C ATOM 785 CD1 PHE A 57 -12.092 9.980 -27.031 1.00 0.00 C ATOM 786 CD2 PHE A 57 -13.152 12.079 -26.673 1.00 0.00 C ATOM 787 CE1 PHE A 57 -11.168 10.588 -27.855 1.00 0.00 C ATOM 788 CE2 PHE A 57 -12.234 12.688 -27.489 1.00 0.00 C ATOM 789 CZ PHE A 57 -11.241 11.945 -28.083 1.00 0.00 C ATOM 0 H PHE A 57 -16.170 11.152 -26.779 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.917 8.486 -26.783 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -14.516 10.817 -24.863 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.600 9.324 -24.916 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -12.030 8.917 -26.852 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -13.930 12.669 -26.212 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -10.389 10.002 -28.320 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -12.291 13.752 -27.665 1.00 0.00 H new ATOM 0 HZ PHE A 57 -10.519 12.424 -28.728 1.00 0.00 H new ATOM 799 N GLU A 58 -16.827 7.813 -25.288 1.00 0.00 N ATOM 800 CA GLU A 58 -17.749 7.360 -24.273 1.00 0.00 C ATOM 801 C GLU A 58 -16.898 6.924 -23.088 1.00 0.00 C ATOM 802 O GLU A 58 -16.228 5.885 -23.135 1.00 0.00 O ATOM 803 CB GLU A 58 -18.560 6.184 -24.802 1.00 0.00 C ATOM 804 CG GLU A 58 -19.721 5.751 -23.917 1.00 0.00 C ATOM 805 CD GLU A 58 -20.872 6.714 -23.957 1.00 0.00 C ATOM 806 OE1 GLU A 58 -20.890 7.688 -23.187 1.00 0.00 O1- ATOM 807 OE2 GLU A 58 -21.808 6.502 -24.770 1.00 0.00 O ATOM 0 H GLU A 58 -16.625 7.133 -26.021 1.00 0.00 H new ATOM 0 HA GLU A 58 -18.449 8.144 -23.987 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -18.951 6.445 -25.786 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.892 5.334 -24.940 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -20.066 4.766 -24.233 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.371 5.652 -22.889 1.00 0.00 H new ATOM 814 N VAL A 59 -16.911 7.704 -22.051 1.00 0.00 N ATOM 815 CA VAL A 59 -16.019 7.487 -20.937 1.00 0.00 C ATOM 816 C VAL A 59 -16.788 7.123 -19.685 1.00 0.00 C ATOM 817 O VAL A 59 -17.935 7.531 -19.507 1.00 0.00 O ATOM 818 CB VAL A 59 -15.145 8.756 -20.628 1.00 0.00 C ATOM 819 CG1 VAL A 59 -14.358 9.202 -21.844 1.00 0.00 C ATOM 820 CG2 VAL A 59 -15.973 9.915 -20.073 1.00 0.00 C ATOM 0 H VAL A 59 -17.533 8.506 -21.946 1.00 0.00 H new ATOM 0 HA VAL A 59 -15.365 6.664 -21.226 1.00 0.00 H new ATOM 0 HB VAL A 59 -14.440 8.457 -19.853 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -13.766 10.082 -21.592 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -13.695 8.398 -22.163 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -15.046 9.448 -22.653 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -15.321 10.766 -19.877 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -16.733 10.200 -20.800 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -16.456 9.606 -19.146 1.00 0.00 H new ATOM 830 N GLU A 60 -16.180 6.334 -18.865 1.00 0.00 N ATOM 831 CA GLU A 60 -16.702 6.020 -17.560 1.00 0.00 C ATOM 832 C GLU A 60 -15.860 6.741 -16.512 1.00 0.00 C ATOM 833 O GLU A 60 -14.637 6.556 -16.463 1.00 0.00 O ATOM 834 CB GLU A 60 -16.646 4.507 -17.315 1.00 0.00 C ATOM 835 CG GLU A 60 -17.205 4.063 -15.968 1.00 0.00 C ATOM 836 CD GLU A 60 -17.079 2.575 -15.758 1.00 0.00 C ATOM 837 OE1 GLU A 60 -17.900 1.821 -16.296 1.00 0.00 O1- ATOM 838 OE2 GLU A 60 -16.144 2.130 -15.064 1.00 0.00 O ATOM 0 H GLU A 60 -15.293 5.878 -19.077 1.00 0.00 H new ATOM 0 HA GLU A 60 -17.741 6.343 -17.495 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -17.199 4.003 -18.107 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -15.610 4.178 -17.390 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -16.680 4.586 -15.169 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -18.254 4.350 -15.900 1.00 0.00 H new ATOM 845 N ALA A 61 -16.485 7.587 -15.720 1.00 0.00 N ATOM 846 CA ALA A 61 -15.771 8.244 -14.633 1.00 0.00 C ATOM 847 C ALA A 61 -16.031 7.457 -13.362 1.00 0.00 C ATOM 848 O ALA A 61 -17.148 7.457 -12.857 1.00 0.00 O ATOM 849 CB ALA A 61 -16.226 9.689 -14.475 1.00 0.00 C ATOM 0 H ALA A 61 -17.471 7.837 -15.802 1.00 0.00 H new ATOM 0 HA ALA A 61 -14.703 8.267 -14.850 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -15.677 10.156 -13.657 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -16.033 10.234 -15.399 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -17.293 9.712 -14.256 1.00 0.00 H new ATOM 855 N LYS A 62 -15.034 6.751 -12.868 1.00 0.00 N ATOM 856 CA LYS A 62 -15.252 5.868 -11.743 1.00 0.00 C ATOM 857 C LYS A 62 -14.842 6.420 -10.362 1.00 0.00 C ATOM 858 O LYS A 62 -15.573 6.215 -9.385 1.00 0.00 O ATOM 859 CB LYS A 62 -14.649 4.495 -12.008 1.00 0.00 C ATOM 860 CG LYS A 62 -13.167 4.508 -12.316 1.00 0.00 C ATOM 861 CD LYS A 62 -12.646 3.116 -12.668 1.00 0.00 C ATOM 862 CE LYS A 62 -12.877 2.110 -11.549 1.00 0.00 C ATOM 863 NZ LYS A 62 -12.287 0.799 -11.861 1.00 0.00 N1+ ATOM 0 H LYS A 62 -14.078 6.771 -13.223 1.00 0.00 H new ATOM 0 HA LYS A 62 -16.336 5.779 -11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -14.820 3.863 -11.137 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -15.177 4.036 -12.844 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -12.975 5.188 -13.146 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -12.621 4.893 -11.455 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -13.138 2.766 -13.575 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -11.580 3.174 -12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -12.446 2.491 -10.623 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -13.948 1.995 -11.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -12.466 0.142 -11.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -12.716 0.423 -12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -11.261 0.904 -11.998 1.00 0.00 H new ATOM 877 N ASP A 63 -13.725 7.118 -10.255 1.00 0.00 N ATOM 878 CA ASP A 63 -13.270 7.584 -8.933 1.00 0.00 C ATOM 879 C ASP A 63 -12.850 9.040 -8.979 1.00 0.00 C ATOM 880 O ASP A 63 -12.863 9.656 -10.042 1.00 0.00 O ATOM 881 CB ASP A 63 -12.110 6.734 -8.407 1.00 0.00 C ATOM 882 CG ASP A 63 -10.808 7.012 -9.113 1.00 0.00 C ATOM 883 OD1 ASP A 63 -10.651 6.583 -10.260 1.00 0.00 O ATOM 884 OD2 ASP A 63 -9.928 7.664 -8.504 1.00 0.00 O1- ATOM 0 H ASP A 63 -13.122 7.375 -11.037 1.00 0.00 H new ATOM 0 HA ASP A 63 -14.115 7.480 -8.253 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -11.985 6.920 -7.340 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.360 5.679 -8.520 1.00 0.00 H new ATOM 889 N GLN A 64 -12.421 9.565 -7.831 1.00 0.00 N ATOM 890 CA GLN A 64 -12.095 10.971 -7.694 1.00 0.00 C ATOM 891 C GLN A 64 -10.712 11.384 -8.226 1.00 0.00 C ATOM 892 O GLN A 64 -10.349 12.544 -8.141 1.00 0.00 O ATOM 893 CB GLN A 64 -12.391 11.513 -6.271 1.00 0.00 C ATOM 894 CG GLN A 64 -11.869 10.687 -5.087 1.00 0.00 C ATOM 895 CD GLN A 64 -10.378 10.463 -5.110 1.00 0.00 C ATOM 896 OE1 GLN A 64 -9.902 9.466 -5.631 1.00 0.00 O ATOM 897 NE2 GLN A 64 -9.639 11.396 -4.583 1.00 0.00 N ATOM 0 H GLN A 64 -12.292 9.023 -6.976 1.00 0.00 H new ATOM 0 HA GLN A 64 -12.784 11.473 -8.374 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -11.970 12.516 -6.196 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -13.471 11.612 -6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -12.137 11.191 -4.158 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -12.372 9.720 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -10.076 12.213 -4.157 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -8.623 11.310 -4.596 1.00 0.00 H new ATOM 906 N ASN A 65 -9.935 10.447 -8.755 1.00 0.00 N ATOM 907 CA ASN A 65 -8.713 10.830 -9.469 1.00 0.00 C ATOM 908 C ASN A 65 -9.080 11.077 -10.899 1.00 0.00 C ATOM 909 O ASN A 65 -8.262 11.556 -11.703 1.00 0.00 O ATOM 910 CB ASN A 65 -7.615 9.753 -9.425 1.00 0.00 C ATOM 911 CG ASN A 65 -6.994 9.554 -8.067 1.00 0.00 C ATOM 912 OD1 ASN A 65 -6.019 10.229 -7.697 1.00 0.00 O ATOM 913 ND2 ASN A 65 -7.521 8.631 -7.326 1.00 0.00 N ATOM 0 H ASN A 65 -10.116 9.444 -8.709 1.00 0.00 H new ATOM 0 HA ASN A 65 -8.307 11.715 -8.980 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -8.038 8.806 -9.760 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -6.831 10.021 -10.134 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -7.135 8.437 -6.402 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -8.322 8.099 -7.667 1.00 0.00 H new ATOM 920 N CYS A 66 -10.331 10.738 -11.209 1.00 0.00 N ATOM 921 CA CYS A 66 -10.898 10.858 -12.519 1.00 0.00 C ATOM 922 C CYS A 66 -10.194 9.950 -13.485 1.00 0.00 C ATOM 923 O CYS A 66 -9.719 10.369 -14.550 1.00 0.00 O ATOM 924 CB CYS A 66 -10.933 12.311 -12.977 1.00 0.00 C ATOM 925 SG CYS A 66 -12.001 13.345 -11.933 1.00 0.00 S ATOM 0 H CYS A 66 -10.985 10.362 -10.522 1.00 0.00 H new ATOM 0 HA CYS A 66 -11.937 10.531 -12.482 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -9.921 12.716 -12.969 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -11.285 12.355 -14.008 1.00 0.00 H new ATOM 930 N LYS A 67 -10.058 8.703 -13.056 1.00 0.00 N ATOM 931 CA LYS A 67 -9.520 7.671 -13.853 1.00 0.00 C ATOM 932 C LYS A 67 -10.483 7.428 -15.001 1.00 0.00 C ATOM 933 O LYS A 67 -11.590 6.918 -14.803 1.00 0.00 O ATOM 934 CB LYS A 67 -9.372 6.414 -13.008 1.00 0.00 C ATOM 935 CG LYS A 67 -8.397 5.362 -13.496 1.00 0.00 C ATOM 936 CD LYS A 67 -7.026 5.945 -13.619 1.00 0.00 C ATOM 937 CE LYS A 67 -6.769 6.362 -15.041 1.00 0.00 C ATOM 938 NZ LYS A 67 -5.516 7.122 -15.201 1.00 0.00 N1+ ATOM 0 H LYS A 67 -10.332 8.400 -12.121 1.00 0.00 H new ATOM 0 HA LYS A 67 -8.539 7.943 -14.242 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -9.070 6.715 -12.005 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -10.354 5.949 -12.919 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.381 4.521 -12.803 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -8.723 4.974 -14.461 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.927 6.804 -12.956 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -6.281 5.213 -13.306 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.732 5.475 -15.673 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.603 6.969 -15.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.393 7.382 -16.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -5.557 7.985 -14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -4.713 6.536 -14.894 1.00 0.00 H new ATOM 952 N VAL A 68 -10.090 7.845 -16.155 1.00 0.00 N ATOM 953 CA VAL A 68 -10.918 7.752 -17.309 1.00 0.00 C ATOM 954 C VAL A 68 -10.723 6.424 -18.049 1.00 0.00 C ATOM 955 O VAL A 68 -9.631 6.105 -18.534 1.00 0.00 O ATOM 956 CB VAL A 68 -10.725 8.989 -18.249 1.00 0.00 C ATOM 957 CG1 VAL A 68 -9.259 9.228 -18.589 1.00 0.00 C ATOM 958 CG2 VAL A 68 -11.553 8.851 -19.512 1.00 0.00 C ATOM 0 H VAL A 68 -9.176 8.264 -16.327 1.00 0.00 H new ATOM 0 HA VAL A 68 -11.954 7.766 -16.970 1.00 0.00 H new ATOM 0 HB VAL A 68 -11.078 9.862 -17.700 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.174 10.096 -19.243 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.698 9.408 -17.672 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -8.855 8.351 -19.095 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.399 9.725 -20.145 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.248 7.954 -20.051 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -12.608 8.775 -19.249 1.00 0.00 H new ATOM 968 N ILE A 69 -11.762 5.628 -18.055 1.00 0.00 N ATOM 969 CA ILE A 69 -11.777 4.398 -18.801 1.00 0.00 C ATOM 970 C ILE A 69 -12.954 4.455 -19.739 1.00 0.00 C ATOM 971 O ILE A 69 -14.077 4.648 -19.308 1.00 0.00 O ATOM 972 CB ILE A 69 -11.905 3.098 -17.915 1.00 0.00 C ATOM 973 CG1 ILE A 69 -10.738 2.927 -16.939 1.00 0.00 C ATOM 974 CG2 ILE A 69 -12.005 1.848 -18.787 1.00 0.00 C ATOM 975 CD1 ILE A 69 -10.828 3.752 -15.684 1.00 0.00 C ATOM 0 H ILE A 69 -12.623 5.816 -17.541 1.00 0.00 H new ATOM 0 HA ILE A 69 -10.819 4.320 -19.315 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.819 3.223 -17.334 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -10.670 1.876 -16.660 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -9.812 3.180 -17.456 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.092 0.967 -18.151 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -12.883 1.921 -19.428 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -11.111 1.763 -19.405 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -9.956 3.560 -15.059 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -10.862 4.810 -15.945 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.732 3.485 -15.137 1.00 0.00 H new ATOM 987 N LEU A 70 -12.707 4.346 -21.007 1.00 0.00 N ATOM 988 CA LEU A 70 -13.767 4.334 -21.968 1.00 0.00 C ATOM 989 C LEU A 70 -14.406 2.976 -22.010 1.00 0.00 C ATOM 990 O LEU A 70 -13.831 1.992 -21.553 1.00 0.00 O ATOM 991 CB LEU A 70 -13.294 4.729 -23.378 1.00 0.00 C ATOM 992 CG LEU A 70 -13.029 6.214 -23.673 1.00 0.00 C ATOM 993 CD1 LEU A 70 -11.875 6.766 -22.861 1.00 0.00 C ATOM 994 CD2 LEU A 70 -12.781 6.415 -25.154 1.00 0.00 C ATOM 0 H LEU A 70 -11.771 4.263 -21.404 1.00 0.00 H new ATOM 0 HA LEU A 70 -14.494 5.081 -21.650 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -12.375 4.181 -23.585 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -14.042 4.378 -24.089 1.00 0.00 H new ATOM 0 HG LEU A 70 -13.919 6.769 -23.378 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -11.728 7.818 -23.106 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -12.098 6.668 -21.799 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -10.967 6.209 -23.094 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -12.594 7.471 -25.352 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -11.914 5.830 -25.460 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -13.656 6.090 -25.717 1.00 0.00 H new ATOM 1006 N THR A 71 -15.535 2.926 -22.631 1.00 0.00 N ATOM 1007 CA THR A 71 -16.359 1.720 -22.768 1.00 0.00 C ATOM 1008 C THR A 71 -15.700 0.665 -23.664 1.00 0.00 C ATOM 1009 O THR A 71 -16.181 -0.458 -23.804 1.00 0.00 O ATOM 1010 CB THR A 71 -17.724 2.108 -23.338 1.00 0.00 C ATOM 1011 OG1 THR A 71 -17.518 3.043 -24.413 1.00 0.00 O ATOM 1012 CG2 THR A 71 -18.601 2.733 -22.260 1.00 0.00 C ATOM 0 H THR A 71 -15.946 3.743 -23.083 1.00 0.00 H new ATOM 0 HA THR A 71 -16.472 1.276 -21.779 1.00 0.00 H new ATOM 0 HB THR A 71 -18.233 1.217 -23.707 1.00 0.00 H new ATOM 0 HG1 THR A 71 -18.361 3.179 -24.894 1.00 0.00 H new ATOM 0 HG21 THR A 71 -19.567 3.001 -22.687 1.00 0.00 H new ATOM 0 HG22 THR A 71 -18.748 2.018 -21.451 1.00 0.00 H new ATOM 0 HG23 THR A 71 -18.116 3.628 -21.870 1.00 0.00 H new ATOM 1020 N ASN A 72 -14.612 1.050 -24.277 1.00 0.00 N ATOM 1021 CA ASN A 72 -13.836 0.169 -25.122 1.00 0.00 C ATOM 1022 C ASN A 72 -12.689 -0.413 -24.323 1.00 0.00 C ATOM 1023 O ASN A 72 -11.864 -1.147 -24.849 1.00 0.00 O ATOM 1024 CB ASN A 72 -13.293 0.941 -26.331 1.00 0.00 C ATOM 1025 CG ASN A 72 -14.395 1.473 -27.224 1.00 0.00 C ATOM 1026 OD1 ASN A 72 -15.456 0.852 -27.374 1.00 0.00 O ATOM 1027 ND2 ASN A 72 -14.172 2.620 -27.815 1.00 0.00 N ATOM 0 H ASN A 72 -14.232 1.994 -24.206 1.00 0.00 H new ATOM 0 HA ASN A 72 -14.474 -0.639 -25.481 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -12.680 1.772 -25.982 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -12.642 0.288 -26.913 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -14.884 3.028 -28.421 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -13.287 3.105 -27.669 1.00 0.00 H new ATOM 1034 N GLY A 73 -12.621 -0.043 -23.049 1.00 0.00 N ATOM 1035 CA GLY A 73 -11.586 -0.525 -22.175 1.00 0.00 C ATOM 1036 C GLY A 73 -10.334 0.250 -22.386 1.00 0.00 C ATOM 1037 O GLY A 73 -9.254 -0.151 -21.970 1.00 0.00 O ATOM 0 H GLY A 73 -13.282 0.595 -22.606 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.906 -0.437 -21.137 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.404 -1.583 -22.364 1.00 0.00 H new ATOM 1041 N LYS A 74 -10.478 1.385 -23.031 1.00 0.00 N ATOM 1042 CA LYS A 74 -9.355 2.170 -23.382 1.00 0.00 C ATOM 1043 C LYS A 74 -9.284 3.358 -22.457 1.00 0.00 C ATOM 1044 O LYS A 74 -10.293 3.990 -22.194 1.00 0.00 O ATOM 1045 CB LYS A 74 -9.432 2.569 -24.856 1.00 0.00 C ATOM 1046 CG LYS A 74 -9.525 1.371 -25.824 1.00 0.00 C ATOM 1047 CD LYS A 74 -8.309 0.445 -25.714 1.00 0.00 C ATOM 1048 CE LYS A 74 -8.455 -0.829 -26.562 1.00 0.00 C ATOM 1049 NZ LYS A 74 -8.559 -0.565 -28.018 1.00 0.00 N1+ ATOM 0 H LYS A 74 -11.377 1.773 -23.318 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.434 1.599 -23.264 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -10.300 3.211 -25.004 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -8.552 3.160 -25.109 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.432 0.804 -25.613 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.609 1.738 -26.847 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -7.416 0.986 -26.028 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -8.162 0.167 -24.670 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -7.598 -1.477 -26.379 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -9.341 -1.373 -26.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -8.655 -1.466 -28.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -9.392 0.029 -28.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -7.703 -0.072 -28.344 1.00 0.00 H new ATOM 1063 N GLN A 75 -8.119 3.657 -21.969 1.00 0.00 N ATOM 1064 CA GLN A 75 -7.963 4.675 -20.938 1.00 0.00 C ATOM 1065 C GLN A 75 -7.677 6.089 -21.468 1.00 0.00 C ATOM 1066 O GLN A 75 -6.864 6.832 -20.887 1.00 0.00 O ATOM 1067 CB GLN A 75 -6.946 4.226 -19.894 1.00 0.00 C ATOM 1068 CG GLN A 75 -7.401 2.985 -19.147 1.00 0.00 C ATOM 1069 CD GLN A 75 -6.529 2.643 -17.969 1.00 0.00 C ATOM 1070 OE1 GLN A 75 -5.565 1.896 -18.084 1.00 0.00 O ATOM 1071 NE2 GLN A 75 -6.871 3.168 -16.822 1.00 0.00 N ATOM 0 H GLN A 75 -7.248 3.215 -22.261 1.00 0.00 H new ATOM 0 HA GLN A 75 -8.937 4.770 -20.458 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -5.992 4.025 -20.381 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -6.777 5.035 -19.183 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -8.424 3.133 -18.801 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -7.416 2.140 -19.836 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -7.680 3.786 -16.765 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -6.328 2.960 -15.984 1.00 0.00 H new ATOM 1080 N ALA A 76 -8.397 6.452 -22.541 1.00 0.00 N ATOM 1081 CA ALA A 76 -8.400 7.806 -23.144 1.00 0.00 C ATOM 1082 C ALA A 76 -7.084 8.200 -23.837 1.00 0.00 C ATOM 1083 O ALA A 76 -6.029 7.595 -23.607 1.00 0.00 O ATOM 1084 CB ALA A 76 -8.801 8.862 -22.109 1.00 0.00 C ATOM 0 H ALA A 76 -9.011 5.800 -23.030 1.00 0.00 H new ATOM 0 HA ALA A 76 -9.147 7.766 -23.937 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -8.796 9.848 -22.574 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -9.801 8.643 -21.734 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -8.092 8.848 -21.281 1.00 0.00 H new ATOM 1090 N PRO A 77 -7.156 9.152 -24.789 1.00 0.00 N ATOM 1091 CA PRO A 77 -5.969 9.745 -25.391 1.00 0.00 C ATOM 1092 C PRO A 77 -5.174 10.547 -24.359 1.00 0.00 C ATOM 1093 O PRO A 77 -5.742 11.107 -23.411 1.00 0.00 O ATOM 1094 CB PRO A 77 -6.529 10.679 -26.466 1.00 0.00 C ATOM 1095 CG PRO A 77 -7.944 10.911 -26.092 1.00 0.00 C ATOM 1096 CD PRO A 77 -8.397 9.667 -25.407 1.00 0.00 C ATOM 0 HA PRO A 77 -5.287 8.994 -25.789 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -5.973 11.616 -26.500 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -6.454 10.228 -27.455 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.037 11.775 -25.434 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -8.552 11.115 -26.973 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.163 9.875 -24.660 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.823 8.952 -26.111 1.00 0.00 H new ATOM 1104 N ASP A 78 -3.886 10.642 -24.580 1.00 0.00 N ATOM 1105 CA ASP A 78 -2.954 11.294 -23.649 1.00 0.00 C ATOM 1106 C ASP A 78 -3.150 12.809 -23.604 1.00 0.00 C ATOM 1107 O ASP A 78 -2.633 13.485 -22.720 1.00 0.00 O ATOM 1108 CB ASP A 78 -1.494 10.963 -24.021 1.00 0.00 C ATOM 1109 CG ASP A 78 -0.995 11.655 -25.286 1.00 0.00 C ATOM 1110 OD1 ASP A 78 -1.652 11.558 -26.358 1.00 0.00 O ATOM 1111 OD2 ASP A 78 0.100 12.263 -25.249 1.00 0.00 O1- ATOM 0 H ASP A 78 -3.435 10.270 -25.416 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.171 10.902 -22.655 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.847 11.242 -23.189 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.400 9.885 -24.150 1.00 0.00 H new ATOM 1116 N TRP A 79 -3.890 13.329 -24.560 1.00 0.00 N ATOM 1117 CA TRP A 79 -4.164 14.737 -24.621 1.00 0.00 C ATOM 1118 C TRP A 79 -5.483 15.086 -23.927 1.00 0.00 C ATOM 1119 O TRP A 79 -5.796 16.241 -23.747 1.00 0.00 O ATOM 1120 CB TRP A 79 -4.145 15.240 -26.073 1.00 0.00 C ATOM 1121 CG TRP A 79 -5.107 14.567 -27.006 1.00 0.00 C ATOM 1122 CD1 TRP A 79 -4.821 13.557 -27.850 1.00 0.00 C ATOM 1123 CD2 TRP A 79 -6.500 14.878 -27.208 1.00 0.00 C ATOM 1124 NE1 TRP A 79 -5.933 13.206 -28.570 1.00 0.00 N ATOM 1125 CE2 TRP A 79 -6.977 14.003 -28.193 1.00 0.00 C ATOM 1126 CE3 TRP A 79 -7.387 15.809 -26.649 1.00 0.00 C ATOM 1127 CZ2 TRP A 79 -8.291 14.024 -28.636 1.00 0.00 C ATOM 1128 CZ3 TRP A 79 -8.692 15.827 -27.092 1.00 0.00 C ATOM 1129 CH2 TRP A 79 -9.132 14.938 -28.078 1.00 0.00 C ATOM 0 H TRP A 79 -4.314 12.785 -25.311 1.00 0.00 H new ATOM 0 HA TRP A 79 -3.370 15.250 -24.079 1.00 0.00 H new ATOM 0 HB2 TRP A 79 -4.357 16.309 -26.071 1.00 0.00 H new ATOM 0 HB3 TRP A 79 -3.137 15.116 -26.468 1.00 0.00 H new ATOM 0 HD1 TRP A 79 -3.852 13.090 -27.946 1.00 0.00 H new ATOM 0 HE1 TRP A 79 -5.975 12.469 -29.274 1.00 0.00 H new ATOM 0 HE3 TRP A 79 -7.054 16.498 -25.887 1.00 0.00 H new ATOM 0 HZ2 TRP A 79 -8.635 13.339 -29.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 79 -9.386 16.539 -26.671 1.00 0.00 H new ATOM 0 HH2 TRP A 79 -10.161 14.977 -28.404 1.00 0.00 H new ATOM 1140 N LEU A 80 -6.249 14.094 -23.551 1.00 0.00 N ATOM 1141 CA LEU A 80 -7.490 14.346 -22.867 1.00 0.00 C ATOM 1142 C LEU A 80 -7.188 14.377 -21.389 1.00 0.00 C ATOM 1143 O LEU A 80 -6.566 13.453 -20.869 1.00 0.00 O ATOM 1144 CB LEU A 80 -8.524 13.255 -23.192 1.00 0.00 C ATOM 1145 CG LEU A 80 -9.915 13.419 -22.559 1.00 0.00 C ATOM 1146 CD1 LEU A 80 -10.599 14.682 -23.057 1.00 0.00 C ATOM 1147 CD2 LEU A 80 -10.782 12.197 -22.834 1.00 0.00 C ATOM 0 H LEU A 80 -6.036 13.109 -23.706 1.00 0.00 H new ATOM 0 HA LEU A 80 -7.919 15.295 -23.189 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -8.645 13.211 -24.274 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -8.117 12.294 -22.877 1.00 0.00 H new ATOM 0 HG LEU A 80 -9.781 13.510 -21.481 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -11.581 14.771 -22.592 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -9.994 15.550 -22.797 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -10.713 14.631 -24.140 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -11.762 12.336 -22.377 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -10.899 12.069 -23.910 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -10.307 11.311 -22.412 1.00 0.00 H new ATOM 1159 N ALA A 81 -7.576 15.418 -20.726 1.00 0.00 N ATOM 1160 CA ALA A 81 -7.263 15.561 -19.321 1.00 0.00 C ATOM 1161 C ALA A 81 -8.521 15.599 -18.510 1.00 0.00 C ATOM 1162 O ALA A 81 -9.558 16.029 -19.001 1.00 0.00 O ATOM 1163 CB ALA A 81 -6.429 16.812 -19.081 1.00 0.00 C ATOM 0 H ALA A 81 -8.111 16.189 -21.126 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.676 14.698 -19.007 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.204 16.901 -18.018 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.498 16.742 -19.644 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -6.987 17.689 -19.409 1.00 0.00 H new ATOM 1169 N ALA A 82 -8.441 15.122 -17.299 1.00 0.00 N ATOM 1170 CA ALA A 82 -9.568 15.128 -16.396 1.00 0.00 C ATOM 1171 C ALA A 82 -9.110 15.463 -14.986 1.00 0.00 C ATOM 1172 O ALA A 82 -8.154 14.868 -14.479 1.00 0.00 O ATOM 1173 CB ALA A 82 -10.277 13.783 -16.417 1.00 0.00 C ATOM 0 H ALA A 82 -7.592 14.716 -16.905 1.00 0.00 H new ATOM 0 HA ALA A 82 -10.272 15.892 -16.726 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -11.123 13.807 -15.730 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -10.634 13.576 -17.426 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.583 13.001 -16.110 1.00 0.00 H new ATOM 1179 N GLU A 83 -9.770 16.410 -14.364 1.00 0.00 N ATOM 1180 CA GLU A 83 -9.456 16.803 -13.018 1.00 0.00 C ATOM 1181 C GLU A 83 -10.690 16.598 -12.169 1.00 0.00 C ATOM 1182 O GLU A 83 -11.813 16.749 -12.664 1.00 0.00 O ATOM 1183 CB GLU A 83 -9.068 18.284 -12.911 1.00 0.00 C ATOM 1184 CG GLU A 83 -8.022 18.769 -13.873 1.00 0.00 C ATOM 1185 CD GLU A 83 -7.649 20.203 -13.594 1.00 0.00 C ATOM 1186 OE1 GLU A 83 -8.480 21.105 -13.794 1.00 0.00 O ATOM 1187 OE2 GLU A 83 -6.503 20.464 -13.169 1.00 0.00 O1- ATOM 0 H GLU A 83 -10.542 16.930 -14.781 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.609 16.201 -12.687 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -9.967 18.884 -13.052 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -8.714 18.473 -11.897 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.136 18.139 -13.799 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.393 18.679 -14.894 1.00 0.00 H new ATOM 1194 N PRO A 84 -10.510 16.221 -10.922 1.00 0.00 N ATOM 1195 CA PRO A 84 -11.600 16.077 -9.972 1.00 0.00 C ATOM 1196 C PRO A 84 -12.272 17.425 -9.686 1.00 0.00 C ATOM 1197 O PRO A 84 -11.599 18.422 -9.383 1.00 0.00 O ATOM 1198 CB PRO A 84 -10.890 15.552 -8.720 1.00 0.00 C ATOM 1199 CG PRO A 84 -9.478 15.926 -8.892 1.00 0.00 C ATOM 1200 CD PRO A 84 -9.231 15.826 -10.338 1.00 0.00 C ATOM 0 HA PRO A 84 -12.396 15.424 -10.331 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.307 15.995 -7.816 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -11.003 14.472 -8.627 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.290 16.936 -8.529 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.822 15.259 -8.333 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.423 16.485 -10.655 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.950 14.814 -10.630 1.00 0.00 H new ATOM 1208 N TYR A 85 -13.567 17.458 -9.790 1.00 0.00 N ATOM 1209 CA TYR A 85 -14.314 18.657 -9.577 1.00 0.00 C ATOM 1210 C TYR A 85 -15.268 18.464 -8.405 1.00 0.00 C ATOM 1211 O TYR A 85 -14.980 18.979 -7.313 1.00 0.00 O ATOM 1212 CB TYR A 85 -15.072 19.058 -10.848 1.00 0.00 C ATOM 1213 CG TYR A 85 -15.720 20.418 -10.760 1.00 0.00 C ATOM 1214 CD1 TYR A 85 -14.971 21.567 -10.957 1.00 0.00 C ATOM 1215 CD2 TYR A 85 -17.072 20.559 -10.484 1.00 0.00 C ATOM 1216 CE1 TYR A 85 -15.545 22.813 -10.880 1.00 0.00 C ATOM 1217 CE2 TYR A 85 -17.655 21.806 -10.404 1.00 0.00 C ATOM 1218 CZ TYR A 85 -16.886 22.930 -10.601 1.00 0.00 C ATOM 1219 OH TYR A 85 -17.468 24.184 -10.538 1.00 0.00 O ATOM 1220 OXT TYR A 85 -16.287 17.761 -8.548 1.00 0.00 O1- ATOM 0 H TYR A 85 -14.137 16.646 -10.027 1.00 0.00 H new ATOM 0 HA TYR A 85 -13.626 19.468 -9.337 1.00 0.00 H new ATOM 0 HB2 TYR A 85 -14.382 19.047 -11.692 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -15.839 18.312 -11.054 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -13.917 21.482 -11.175 1.00 0.00 H new ATOM 0 HD2 TYR A 85 -17.678 19.678 -10.329 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -14.945 23.697 -11.038 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -18.709 21.900 -10.188 1.00 0.00 H new ATOM 0 HH TYR A 85 -18.422 24.092 -10.332 1.00 0.00 H new