USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 CYS SG : rot 100:sc= -2.89! USER MOD Single : A 28 SER OG : rot 70:sc= 0.259 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.303 K(o=-0.3,f=-2.7!) USER MOD Single : A 46 MET CE :methyl -143:sc= -0.475 (180deg=-3.33!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -3.32! C(o=-3.3!,f=-4.9!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.667 K(o=-0.67,f=-0.1) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 159:sc= -0.144 (180deg=-0.195) USER MOD Single : A 77 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-3.8!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.803 K(o=-0.8,f=-1.5) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -176:sc= -0.346 (180deg=-0.359) USER MOD Single : A 91 SER OG : rot 180:sc= 0.202 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.780 9.294 0.078 1.00 0.00 N ATOM 168 CA GLY A 16 -1.058 7.875 -0.039 1.00 0.00 C ATOM 169 C GLY A 16 0.015 7.019 0.603 1.00 0.00 C ATOM 170 O GLY A 16 0.439 6.012 0.034 1.00 0.00 O ATOM 0 HA2 GLY A 16 -2.019 7.657 0.426 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.147 7.611 -1.093 1.00 0.00 H new ATOM 174 N PHE A 17 0.459 7.419 1.789 1.00 0.00 N ATOM 175 CA PHE A 17 1.493 6.683 2.507 1.00 0.00 C ATOM 176 C PHE A 17 0.883 5.549 3.327 1.00 0.00 C ATOM 177 O PHE A 17 -0.224 5.672 3.851 1.00 0.00 O ATOM 178 CB PHE A 17 2.277 7.625 3.423 1.00 0.00 C ATOM 179 CG PHE A 17 3.587 8.074 2.842 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.716 7.279 2.949 1.00 0.00 C ATOM 181 CD2 PHE A 17 3.688 9.291 2.189 1.00 0.00 C ATOM 182 CE1 PHE A 17 5.924 7.689 2.415 1.00 0.00 C ATOM 183 CE2 PHE A 17 4.893 9.707 1.652 1.00 0.00 C ATOM 184 CZ PHE A 17 6.012 8.905 1.767 1.00 0.00 C ATOM 0 H PHE A 17 0.119 8.249 2.274 1.00 0.00 H new ATOM 0 HA PHE A 17 2.174 6.252 1.773 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.665 8.501 3.639 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.463 7.124 4.373 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.652 6.327 3.456 1.00 0.00 H new ATOM 0 HD2 PHE A 17 2.816 9.922 2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.797 7.059 2.505 1.00 0.00 H new ATOM 0 HE2 PHE A 17 4.959 10.658 1.143 1.00 0.00 H new ATOM 0 HZ PHE A 17 6.954 9.229 1.351 1.00 0.00 H new ATOM 194 N VAL A 18 1.615 4.444 3.432 1.00 0.00 N ATOM 195 CA VAL A 18 1.148 3.287 4.187 1.00 0.00 C ATOM 196 C VAL A 18 2.281 2.664 4.994 1.00 0.00 C ATOM 197 O VAL A 18 3.448 2.750 4.613 1.00 0.00 O ATOM 198 CB VAL A 18 0.544 2.217 3.259 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.745 2.722 2.628 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.548 1.813 2.188 1.00 0.00 C ATOM 0 H VAL A 18 2.533 4.326 3.004 1.00 0.00 H new ATOM 0 HA VAL A 18 0.375 3.644 4.867 1.00 0.00 H new ATOM 0 HB VAL A 18 0.307 1.336 3.855 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.157 1.952 1.976 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.466 2.958 3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.537 3.619 2.044 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.105 1.056 1.541 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.817 2.686 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.442 1.407 2.662 1.00 0.00 H new ATOM 210 N ARG A 19 1.928 2.036 6.111 1.00 0.00 N ATOM 211 CA ARG A 19 2.916 1.398 6.973 1.00 0.00 C ATOM 212 C ARG A 19 2.686 -0.109 7.041 1.00 0.00 C ATOM 213 O ARG A 19 1.562 -0.567 7.249 1.00 0.00 O ATOM 214 CB ARG A 19 2.859 1.997 8.379 1.00 0.00 C ATOM 215 CG ARG A 19 3.839 1.361 9.353 1.00 0.00 C ATOM 216 CD ARG A 19 3.822 2.065 10.700 1.00 0.00 C ATOM 217 NE ARG A 19 2.768 1.555 11.572 1.00 0.00 N ATOM 218 CZ ARG A 19 2.517 2.040 12.782 1.00 0.00 C ATOM 219 NH1 ARG A 19 3.240 3.042 13.262 1.00 0.00 N ATOM 220 NH2 ARG A 19 1.539 1.522 13.517 1.00 0.00 N ATOM 0 H ARG A 19 0.966 1.955 6.440 1.00 0.00 H new ATOM 0 HA ARG A 19 3.903 1.579 6.548 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.063 3.066 8.318 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.848 1.887 8.771 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.588 0.309 9.488 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.845 1.398 8.935 1.00 0.00 H new ATOM 0 HD2 ARG A 19 4.789 1.938 11.187 1.00 0.00 H new ATOM 0 HD3 ARG A 19 3.680 3.135 10.548 1.00 0.00 H new ATOM 0 HE ARG A 19 2.193 0.784 11.233 1.00 0.00 H new ATOM 0 HH11 ARG A 19 3.992 3.443 12.701 1.00 0.00 H new ATOM 0 HH12 ARG A 19 3.044 3.412 14.192 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.980 0.751 13.152 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.347 1.895 14.447 1.00 0.00 H new ATOM 234 N LEU A 20 3.758 -0.874 6.863 1.00 0.00 N ATOM 235 CA LEU A 20 3.672 -2.330 6.904 1.00 0.00 C ATOM 236 C LEU A 20 4.319 -2.878 8.173 1.00 0.00 C ATOM 237 O LEU A 20 5.335 -2.360 8.637 1.00 0.00 O ATOM 238 CB LEU A 20 4.349 -2.934 5.672 1.00 0.00 C ATOM 239 CG LEU A 20 4.308 -2.086 4.400 1.00 0.00 C ATOM 240 CD1 LEU A 20 5.221 -2.675 3.337 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.883 -1.972 3.880 1.00 0.00 C ATOM 0 H LEU A 20 4.695 -0.511 6.689 1.00 0.00 H new ATOM 0 HA LEU A 20 2.618 -2.608 6.906 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.392 -3.135 5.917 1.00 0.00 H new ATOM 0 HB3 LEU A 20 3.881 -3.895 5.459 1.00 0.00 H new ATOM 0 HG LEU A 20 4.665 -1.085 4.642 1.00 0.00 H new ATOM 0 HD11 LEU A 20 5.179 -2.059 2.439 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.245 -2.702 3.711 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.895 -3.687 3.098 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.874 -1.365 2.975 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.497 -2.966 3.654 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.256 -1.503 4.638 1.00 0.00 H new ATOM 253 N ARG A 21 3.725 -3.929 8.728 1.00 0.00 N ATOM 254 CA ARG A 21 4.243 -4.548 9.941 1.00 0.00 C ATOM 255 C ARG A 21 4.249 -6.069 9.816 1.00 0.00 C ATOM 256 O ARG A 21 3.225 -6.681 9.519 1.00 0.00 O ATOM 257 CB ARG A 21 3.405 -4.128 11.151 1.00 0.00 C ATOM 258 CG ARG A 21 4.178 -3.312 12.173 1.00 0.00 C ATOM 259 CD ARG A 21 3.581 -3.450 13.564 1.00 0.00 C ATOM 260 NE ARG A 21 4.546 -3.975 14.526 1.00 0.00 N ATOM 261 CZ ARG A 21 5.672 -3.351 14.852 1.00 0.00 C ATOM 262 NH1 ARG A 21 5.972 -2.185 14.298 1.00 0.00 N ATOM 263 NH2 ARG A 21 6.501 -3.893 15.735 1.00 0.00 N ATOM 0 H ARG A 21 2.884 -4.370 8.356 1.00 0.00 H new ATOM 0 HA ARG A 21 5.269 -4.209 10.082 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.550 -3.547 10.806 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.009 -5.020 11.636 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.218 -3.638 12.189 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.177 -2.263 11.878 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.224 -2.477 13.903 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.715 -4.111 13.523 1.00 0.00 H new ATOM 0 HE ARG A 21 4.344 -4.870 14.972 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.337 -1.765 13.619 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.838 -1.708 14.550 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.274 -4.790 16.164 1.00 0.00 H new ATOM 0 HH22 ARG A 21 7.366 -3.413 15.985 1.00 0.00 H new ATOM 277 N GLY A 22 5.412 -6.671 10.045 1.00 0.00 N ATOM 278 CA GLY A 22 5.531 -8.115 9.954 1.00 0.00 C ATOM 279 C GLY A 22 6.113 -8.565 8.629 1.00 0.00 C ATOM 280 O GLY A 22 5.737 -9.611 8.100 1.00 0.00 O ATOM 0 H GLY A 22 6.274 -6.185 10.292 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.162 -8.477 10.766 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.548 -8.567 10.088 1.00 0.00 H new ATOM 284 N LEU A 23 7.034 -7.773 8.090 1.00 0.00 N ATOM 285 CA LEU A 23 7.669 -8.095 6.817 1.00 0.00 C ATOM 286 C LEU A 23 8.539 -9.342 6.942 1.00 0.00 C ATOM 287 O LEU A 23 9.115 -9.624 7.993 1.00 0.00 O ATOM 288 CB LEU A 23 8.517 -6.916 6.335 1.00 0.00 C ATOM 289 CG LEU A 23 7.754 -5.633 6.003 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.720 -4.481 5.777 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.870 -5.838 4.781 1.00 0.00 C ATOM 0 H LEU A 23 7.357 -6.904 8.515 1.00 0.00 H new ATOM 0 HA LEU A 23 6.883 -8.293 6.088 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.256 -6.687 7.103 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.067 -7.228 5.447 1.00 0.00 H new ATOM 0 HG LEU A 23 7.115 -5.384 6.850 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.159 -3.577 5.542 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.310 -4.318 6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.385 -4.721 4.948 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.335 -4.914 4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.488 -6.112 3.926 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.153 -6.634 4.980 1.00 0.00 H new ATOM 303 N PRO A 24 8.639 -10.107 5.845 1.00 0.00 N ATOM 304 CA PRO A 24 9.438 -11.335 5.806 1.00 0.00 C ATOM 305 C PRO A 24 10.936 -11.054 5.865 1.00 0.00 C ATOM 306 O PRO A 24 11.381 -9.943 5.579 1.00 0.00 O ATOM 307 CB PRO A 24 9.065 -11.959 4.459 1.00 0.00 C ATOM 308 CG PRO A 24 8.628 -10.810 3.618 1.00 0.00 C ATOM 309 CD PRO A 24 7.979 -9.831 4.557 1.00 0.00 C ATOM 0 HA PRO A 24 9.235 -11.980 6.661 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.915 -12.476 4.013 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.268 -12.694 4.570 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.477 -10.356 3.107 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.928 -11.134 2.848 1.00 0.00 H new ATOM 0 HD2 PRO A 24 8.137 -8.801 4.237 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.901 -9.984 4.616 1.00 0.00 H new ATOM 317 N PHE A 25 11.709 -12.068 6.240 1.00 0.00 N ATOM 318 CA PHE A 25 13.157 -11.930 6.337 1.00 0.00 C ATOM 319 C PHE A 25 13.766 -11.607 4.975 1.00 0.00 C ATOM 320 O PHE A 25 13.699 -12.410 4.047 1.00 0.00 O ATOM 321 CB PHE A 25 13.777 -13.213 6.894 1.00 0.00 C ATOM 322 CG PHE A 25 14.390 -13.042 8.254 1.00 0.00 C ATOM 323 CD1 PHE A 25 15.369 -12.086 8.472 1.00 0.00 C ATOM 324 CD2 PHE A 25 13.986 -13.836 9.316 1.00 0.00 C ATOM 325 CE1 PHE A 25 15.935 -11.927 9.723 1.00 0.00 C ATOM 326 CE2 PHE A 25 14.548 -13.681 10.569 1.00 0.00 C ATOM 327 CZ PHE A 25 15.524 -12.725 10.773 1.00 0.00 C ATOM 0 H PHE A 25 11.357 -12.994 6.482 1.00 0.00 H new ATOM 0 HA PHE A 25 13.373 -11.106 7.016 1.00 0.00 H new ATOM 0 HB2 PHE A 25 13.010 -13.985 6.945 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.541 -13.568 6.202 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.693 -11.458 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 25 13.223 -14.585 9.162 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.698 -11.179 9.879 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.224 -14.307 11.388 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.965 -12.602 11.751 1.00 0.00 H new ATOM 337 N GLY A 26 14.360 -10.422 4.866 1.00 0.00 N ATOM 338 CA GLY A 26 14.970 -10.012 3.615 1.00 0.00 C ATOM 339 C GLY A 26 14.016 -9.235 2.730 1.00 0.00 C ATOM 340 O GLY A 26 14.297 -9.006 1.554 1.00 0.00 O ATOM 0 H GLY A 26 14.429 -9.740 5.621 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.846 -9.398 3.826 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.320 -10.894 3.079 1.00 0.00 H new ATOM 344 N CYS A 27 12.884 -8.830 3.296 1.00 0.00 N ATOM 345 CA CYS A 27 11.884 -8.076 2.550 1.00 0.00 C ATOM 346 C CYS A 27 12.497 -6.827 1.925 1.00 0.00 C ATOM 347 O CYS A 27 13.207 -6.072 2.591 1.00 0.00 O ATOM 348 CB CYS A 27 10.722 -7.686 3.465 1.00 0.00 C ATOM 349 SG CYS A 27 9.492 -6.617 2.682 1.00 0.00 S ATOM 0 H CYS A 27 12.636 -9.011 4.269 1.00 0.00 H new ATOM 0 HA CYS A 27 11.509 -8.713 1.749 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.229 -8.593 3.815 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.120 -7.180 4.344 1.00 0.00 H new ATOM 0 HG CYS A 27 8.472 -7.331 2.308 1.00 0.00 H new ATOM 355 N SER A 28 12.221 -6.617 0.643 1.00 0.00 N ATOM 356 CA SER A 28 12.750 -5.462 -0.073 1.00 0.00 C ATOM 357 C SER A 28 11.750 -4.960 -1.110 1.00 0.00 C ATOM 358 O SER A 28 10.817 -5.671 -1.485 1.00 0.00 O ATOM 359 CB SER A 28 14.073 -5.820 -0.754 1.00 0.00 C ATOM 360 OG SER A 28 14.999 -6.350 0.178 1.00 0.00 O ATOM 0 H SER A 28 11.634 -7.231 0.078 1.00 0.00 H new ATOM 0 HA SER A 28 12.926 -4.666 0.651 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.893 -6.547 -1.546 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.495 -4.932 -1.226 1.00 0.00 H new ATOM 0 HG SER A 28 14.700 -7.237 0.468 1.00 0.00 H new ATOM 366 N LYS A 29 11.951 -3.731 -1.571 1.00 0.00 N ATOM 367 CA LYS A 29 11.070 -3.132 -2.566 1.00 0.00 C ATOM 368 C LYS A 29 10.772 -4.117 -3.692 1.00 0.00 C ATOM 369 O LYS A 29 9.629 -4.244 -4.129 1.00 0.00 O ATOM 370 CB LYS A 29 11.703 -1.862 -3.141 1.00 0.00 C ATOM 371 CG LYS A 29 11.947 -0.781 -2.102 1.00 0.00 C ATOM 372 CD LYS A 29 13.235 -0.023 -2.378 1.00 0.00 C ATOM 373 CE LYS A 29 14.145 -0.007 -1.159 1.00 0.00 C ATOM 374 NZ LYS A 29 15.130 1.109 -1.217 1.00 0.00 N ATOM 0 H LYS A 29 12.718 -3.129 -1.271 1.00 0.00 H new ATOM 0 HA LYS A 29 10.132 -2.873 -2.074 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.650 -2.120 -3.614 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.055 -1.464 -3.922 1.00 0.00 H new ATOM 0 HG2 LYS A 29 11.108 -0.085 -2.096 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.994 -1.232 -1.111 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.757 -0.484 -3.217 1.00 0.00 H new ATOM 0 HD3 LYS A 29 13.000 1.000 -2.672 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.541 0.088 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS A 29 14.676 -0.957 -1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.731 1.086 -0.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.723 1.005 -2.065 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.624 2.017 -1.258 1.00 0.00 H new ATOM 388 N GLU A 30 11.806 -4.812 -4.154 1.00 0.00 N ATOM 389 CA GLU A 30 11.652 -5.787 -5.228 1.00 0.00 C ATOM 390 C GLU A 30 10.444 -6.684 -4.979 1.00 0.00 C ATOM 391 O GLU A 30 9.706 -7.018 -5.906 1.00 0.00 O ATOM 392 CB GLU A 30 12.916 -6.639 -5.358 1.00 0.00 C ATOM 393 CG GLU A 30 13.969 -6.033 -6.271 1.00 0.00 C ATOM 394 CD GLU A 30 14.754 -7.082 -7.034 1.00 0.00 C ATOM 395 OE1 GLU A 30 14.127 -7.869 -7.773 1.00 0.00 O ATOM 396 OE2 GLU A 30 15.993 -7.115 -6.892 1.00 0.00 O ATOM 0 H GLU A 30 12.759 -4.719 -3.802 1.00 0.00 H new ATOM 0 HA GLU A 30 11.492 -5.242 -6.159 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.348 -6.787 -4.368 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.643 -7.624 -5.737 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.486 -5.360 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.657 -5.431 -5.677 1.00 0.00 H new ATOM 403 N GLU A 31 10.248 -7.069 -3.722 1.00 0.00 N ATOM 404 CA GLU A 31 9.130 -7.929 -3.353 1.00 0.00 C ATOM 405 C GLU A 31 7.861 -7.110 -3.139 1.00 0.00 C ATOM 406 O GLU A 31 6.756 -7.570 -3.426 1.00 0.00 O ATOM 407 CB GLU A 31 9.462 -8.717 -2.083 1.00 0.00 C ATOM 408 CG GLU A 31 10.178 -10.030 -2.352 1.00 0.00 C ATOM 409 CD GLU A 31 9.244 -11.224 -2.304 1.00 0.00 C ATOM 410 OE1 GLU A 31 8.814 -11.598 -1.193 1.00 0.00 O ATOM 411 OE2 GLU A 31 8.943 -11.784 -3.379 1.00 0.00 O ATOM 0 H GLU A 31 10.848 -6.799 -2.943 1.00 0.00 H new ATOM 0 HA GLU A 31 8.957 -8.628 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 31 10.084 -8.100 -1.435 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.539 -8.921 -1.540 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.655 -9.986 -3.331 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.971 -10.164 -1.617 1.00 0.00 H new ATOM 418 N ILE A 32 8.028 -5.893 -2.631 1.00 0.00 N ATOM 419 CA ILE A 32 6.897 -5.008 -2.379 1.00 0.00 C ATOM 420 C ILE A 32 6.223 -4.592 -3.681 1.00 0.00 C ATOM 421 O ILE A 32 5.050 -4.888 -3.909 1.00 0.00 O ATOM 422 CB ILE A 32 7.330 -3.746 -1.611 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.996 -4.129 -0.288 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.134 -2.839 -1.366 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.527 -2.944 0.487 1.00 0.00 C ATOM 0 H ILE A 32 8.936 -5.498 -2.386 1.00 0.00 H new ATOM 0 HA ILE A 32 6.188 -5.568 -1.770 1.00 0.00 H new ATOM 0 HB ILE A 32 8.056 -3.202 -2.216 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.275 -4.664 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.816 -4.818 -0.490 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.456 -1.951 -0.822 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.701 -2.542 -2.321 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.387 -3.373 -0.779 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.985 -3.291 1.413 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.272 -2.421 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.707 -2.265 0.720 1.00 0.00 H new ATOM 437 N VAL A 33 6.975 -3.905 -4.537 1.00 0.00 N ATOM 438 CA VAL A 33 6.452 -3.451 -5.819 1.00 0.00 C ATOM 439 C VAL A 33 5.461 -4.456 -6.396 1.00 0.00 C ATOM 440 O VAL A 33 4.361 -4.089 -6.811 1.00 0.00 O ATOM 441 CB VAL A 33 7.584 -3.220 -6.838 1.00 0.00 C ATOM 442 CG1 VAL A 33 7.019 -3.089 -8.244 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.395 -1.988 -6.463 1.00 0.00 C ATOM 0 H VAL A 33 7.948 -3.651 -4.365 1.00 0.00 H new ATOM 0 HA VAL A 33 5.941 -2.506 -5.635 1.00 0.00 H new ATOM 0 HB VAL A 33 8.248 -4.084 -6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.834 -2.926 -8.950 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.487 -4.003 -8.509 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.331 -2.244 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.190 -1.840 -7.193 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.744 -1.114 -6.452 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.832 -2.127 -5.474 1.00 0.00 H new ATOM 453 N GLN A 34 5.858 -5.723 -6.419 1.00 0.00 N ATOM 454 CA GLN A 34 5.004 -6.782 -6.945 1.00 0.00 C ATOM 455 C GLN A 34 3.838 -7.060 -6.003 1.00 0.00 C ATOM 456 O GLN A 34 2.693 -7.186 -6.436 1.00 0.00 O ATOM 457 CB GLN A 34 5.815 -8.061 -7.162 1.00 0.00 C ATOM 458 CG GLN A 34 6.239 -8.276 -8.606 1.00 0.00 C ATOM 459 CD GLN A 34 5.638 -9.531 -9.209 1.00 0.00 C ATOM 460 OE1 GLN A 34 6.088 -10.643 -8.933 1.00 0.00 O ATOM 461 NE2 GLN A 34 4.616 -9.358 -10.038 1.00 0.00 N ATOM 0 H GLN A 34 6.765 -6.042 -6.080 1.00 0.00 H new ATOM 0 HA GLN A 34 4.603 -6.448 -7.902 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.704 -8.029 -6.532 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.224 -8.916 -6.835 1.00 0.00 H new ATOM 0 HG2 GLN A 34 5.941 -7.413 -9.201 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.326 -8.338 -8.656 1.00 0.00 H new ATOM 0 HE21 GLN A 34 4.275 -8.418 -10.238 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.171 -10.165 -10.475 1.00 0.00 H new ATOM 470 N PHE A 35 4.136 -7.153 -4.711 1.00 0.00 N ATOM 471 CA PHE A 35 3.112 -7.418 -3.708 1.00 0.00 C ATOM 472 C PHE A 35 1.908 -6.500 -3.903 1.00 0.00 C ATOM 473 O PHE A 35 0.784 -6.846 -3.541 1.00 0.00 O ATOM 474 CB PHE A 35 3.685 -7.231 -2.301 1.00 0.00 C ATOM 475 CG PHE A 35 2.634 -7.106 -1.236 1.00 0.00 C ATOM 476 CD1 PHE A 35 1.870 -8.200 -0.867 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.410 -5.893 -0.604 1.00 0.00 C ATOM 478 CE1 PHE A 35 0.901 -8.088 0.113 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.444 -5.774 0.376 1.00 0.00 C ATOM 480 CZ PHE A 35 0.688 -6.873 0.736 1.00 0.00 C ATOM 0 H PHE A 35 5.078 -7.049 -4.335 1.00 0.00 H new ATOM 0 HA PHE A 35 2.783 -8.451 -3.826 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.331 -8.077 -2.065 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.311 -6.339 -2.288 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.033 -9.152 -1.350 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.998 -5.030 -0.881 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.311 -8.949 0.391 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.280 -4.823 0.860 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.068 -6.783 1.502 1.00 0.00 H new ATOM 490 N PHE A 36 2.154 -5.328 -4.480 1.00 0.00 N ATOM 491 CA PHE A 36 1.092 -4.359 -4.723 1.00 0.00 C ATOM 492 C PHE A 36 0.681 -4.359 -6.193 1.00 0.00 C ATOM 493 O PHE A 36 0.345 -3.317 -6.755 1.00 0.00 O ATOM 494 CB PHE A 36 1.545 -2.958 -4.309 1.00 0.00 C ATOM 495 CG PHE A 36 1.521 -2.734 -2.824 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.330 -2.802 -2.120 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.689 -2.455 -2.133 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.304 -2.597 -0.753 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.668 -2.250 -0.767 1.00 0.00 C ATOM 500 CZ PHE A 36 1.475 -2.320 -0.076 1.00 0.00 C ATOM 0 H PHE A 36 3.079 -5.027 -4.788 1.00 0.00 H new ATOM 0 HA PHE A 36 0.229 -4.646 -4.122 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.557 -2.788 -4.678 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.903 -2.220 -4.790 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.589 -3.018 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.626 -2.397 -2.668 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.631 -2.653 -0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.585 -2.035 -0.239 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.458 -2.158 0.992 1.00 0.00 H new ATOM 510 N SER A 37 0.713 -5.536 -6.811 1.00 0.00 N ATOM 511 CA SER A 37 0.349 -5.673 -8.216 1.00 0.00 C ATOM 512 C SER A 37 -0.976 -4.975 -8.504 1.00 0.00 C ATOM 513 O SER A 37 -1.896 -5.003 -7.688 1.00 0.00 O ATOM 514 CB SER A 37 0.255 -7.150 -8.599 1.00 0.00 C ATOM 515 OG SER A 37 -0.964 -7.717 -8.148 1.00 0.00 O ATOM 0 H SER A 37 0.988 -6.409 -6.360 1.00 0.00 H new ATOM 0 HA SER A 37 1.127 -5.199 -8.815 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.330 -7.254 -9.681 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.095 -7.695 -8.168 1.00 0.00 H new ATOM 0 HG SER A 37 -1.001 -8.662 -8.407 1.00 0.00 H new ATOM 521 N GLY A 38 -1.065 -4.347 -9.673 1.00 0.00 N ATOM 522 CA GLY A 38 -2.281 -3.651 -10.051 1.00 0.00 C ATOM 523 C GLY A 38 -2.292 -2.209 -9.583 1.00 0.00 C ATOM 524 O GLY A 38 -2.989 -1.369 -10.155 1.00 0.00 O ATOM 0 H GLY A 38 -0.316 -4.308 -10.365 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.390 -3.679 -11.135 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.141 -4.173 -9.631 1.00 0.00 H new ATOM 528 N LEU A 39 -1.518 -1.920 -8.543 1.00 0.00 N ATOM 529 CA LEU A 39 -1.442 -0.569 -7.997 1.00 0.00 C ATOM 530 C LEU A 39 -0.222 0.169 -8.540 1.00 0.00 C ATOM 531 O LEU A 39 0.761 -0.452 -8.944 1.00 0.00 O ATOM 532 CB LEU A 39 -1.385 -0.617 -6.470 1.00 0.00 C ATOM 533 CG LEU A 39 -2.534 -1.353 -5.779 1.00 0.00 C ATOM 534 CD1 LEU A 39 -2.055 -1.993 -4.485 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.691 -0.403 -5.509 1.00 0.00 C ATOM 0 H LEU A 39 -0.934 -2.603 -8.061 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.338 -0.029 -8.304 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.448 -1.090 -6.176 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.357 0.406 -6.095 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.886 -2.142 -6.443 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.885 -2.512 -4.007 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.260 -2.705 -4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.676 -1.221 -3.816 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.499 -0.944 -5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.353 0.408 -4.865 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.051 0.009 -6.452 1.00 0.00 H new ATOM 547 N GLU A 40 -0.292 1.496 -8.543 1.00 0.00 N ATOM 548 CA GLU A 40 0.808 2.318 -9.035 1.00 0.00 C ATOM 549 C GLU A 40 1.471 3.079 -7.891 1.00 0.00 C ATOM 550 O GLU A 40 0.816 3.831 -7.169 1.00 0.00 O ATOM 551 CB GLU A 40 0.305 3.301 -10.093 1.00 0.00 C ATOM 552 CG GLU A 40 1.265 4.448 -10.363 1.00 0.00 C ATOM 553 CD GLU A 40 0.852 5.286 -11.557 1.00 0.00 C ATOM 554 OE1 GLU A 40 0.634 4.708 -12.642 1.00 0.00 O ATOM 555 OE2 GLU A 40 0.747 6.521 -11.406 1.00 0.00 O ATOM 0 H GLU A 40 -1.098 2.025 -8.211 1.00 0.00 H new ATOM 0 HA GLU A 40 1.549 1.658 -9.486 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.126 2.761 -11.023 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.654 3.708 -9.772 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.322 5.084 -9.480 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.265 4.048 -10.533 1.00 0.00 H new ATOM 562 N ILE A 41 2.775 2.878 -7.732 1.00 0.00 N ATOM 563 CA ILE A 41 3.527 3.545 -6.677 1.00 0.00 C ATOM 564 C ILE A 41 4.588 4.473 -7.260 1.00 0.00 C ATOM 565 O ILE A 41 5.056 4.271 -8.380 1.00 0.00 O ATOM 566 CB ILE A 41 4.209 2.529 -5.741 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.214 1.447 -5.316 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.786 3.233 -4.524 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.867 0.128 -4.970 1.00 0.00 C ATOM 0 H ILE A 41 3.332 2.259 -8.320 1.00 0.00 H new ATOM 0 HA ILE A 41 2.810 4.131 -6.102 1.00 0.00 H new ATOM 0 HB ILE A 41 5.027 2.052 -6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.651 1.802 -4.453 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.497 1.288 -6.121 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.264 2.501 -3.873 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.523 3.969 -4.845 1.00 0.00 H new ATOM 0 HG23 ILE A 41 3.985 3.734 -3.980 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.102 -0.591 -4.678 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.407 -0.249 -5.838 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.563 0.272 -4.144 1.00 0.00 H new ATOM 581 N VAL A 42 4.964 5.490 -6.492 1.00 0.00 N ATOM 582 CA VAL A 42 5.972 6.448 -6.931 1.00 0.00 C ATOM 583 C VAL A 42 7.373 5.856 -6.831 1.00 0.00 C ATOM 584 O VAL A 42 7.669 5.040 -5.957 1.00 0.00 O ATOM 585 CB VAL A 42 5.914 7.744 -6.100 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.657 8.534 -6.431 1.00 0.00 C ATOM 587 CG2 VAL A 42 5.980 7.428 -4.614 1.00 0.00 C ATOM 0 H VAL A 42 4.586 5.672 -5.562 1.00 0.00 H new ATOM 0 HA VAL A 42 5.753 6.683 -7.973 1.00 0.00 H new ATOM 0 HB VAL A 42 6.778 8.358 -6.355 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.633 9.446 -5.835 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.658 8.793 -7.490 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.778 7.930 -6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 42 5.938 8.355 -4.043 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.137 6.794 -4.339 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.912 6.908 -4.394 1.00 0.00 H new ATOM 597 N PRO A 43 8.260 6.274 -7.746 1.00 0.00 N ATOM 598 CA PRO A 43 9.646 5.800 -7.781 1.00 0.00 C ATOM 599 C PRO A 43 10.466 6.319 -6.605 1.00 0.00 C ATOM 600 O PRO A 43 10.598 7.527 -6.414 1.00 0.00 O ATOM 601 CB PRO A 43 10.182 6.365 -9.098 1.00 0.00 C ATOM 602 CG PRO A 43 9.340 7.565 -9.366 1.00 0.00 C ATOM 603 CD PRO A 43 7.977 7.246 -8.816 1.00 0.00 C ATOM 0 HA PRO A 43 9.707 4.714 -7.712 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.236 6.631 -9.015 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.100 5.636 -9.904 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.757 8.450 -8.885 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.290 7.776 -10.434 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.481 8.136 -8.429 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.324 6.824 -9.580 1.00 0.00 H new ATOM 611 N ASN A 44 11.018 5.398 -5.822 1.00 0.00 N ATOM 612 CA ASN A 44 11.827 5.764 -4.664 1.00 0.00 C ATOM 613 C ASN A 44 10.945 6.235 -3.512 1.00 0.00 C ATOM 614 O ASN A 44 11.368 7.037 -2.680 1.00 0.00 O ATOM 615 CB ASN A 44 12.824 6.861 -5.039 1.00 0.00 C ATOM 616 CG ASN A 44 14.187 6.642 -4.412 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.496 5.550 -3.937 1.00 0.00 O ATOM 618 ND2 ASN A 44 15.009 7.686 -4.406 1.00 0.00 N ATOM 0 H ASN A 44 10.920 4.393 -5.968 1.00 0.00 H new ATOM 0 HA ASN A 44 12.375 4.879 -4.340 1.00 0.00 H new ATOM 0 HB2 ASN A 44 12.928 6.899 -6.123 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.432 7.828 -4.722 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.939 7.601 -3.996 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.710 8.573 -4.812 1.00 0.00 H new ATOM 625 N GLY A 45 9.716 5.728 -3.468 1.00 0.00 N ATOM 626 CA GLY A 45 8.794 6.107 -2.414 1.00 0.00 C ATOM 627 C GLY A 45 8.614 5.014 -1.380 1.00 0.00 C ATOM 628 O GLY A 45 7.543 4.880 -0.789 1.00 0.00 O ATOM 0 H GLY A 45 9.343 5.061 -4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.159 7.010 -1.924 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.826 6.351 -2.852 1.00 0.00 H new ATOM 632 N MET A 46 9.664 4.229 -1.161 1.00 0.00 N ATOM 633 CA MET A 46 9.615 3.141 -0.192 1.00 0.00 C ATOM 634 C MET A 46 10.779 3.236 0.790 1.00 0.00 C ATOM 635 O MET A 46 11.918 3.493 0.398 1.00 0.00 O ATOM 636 CB MET A 46 9.646 1.789 -0.908 1.00 0.00 C ATOM 637 CG MET A 46 8.354 1.457 -1.634 1.00 0.00 C ATOM 638 SD MET A 46 8.430 -0.124 -2.500 1.00 0.00 S ATOM 639 CE MET A 46 7.502 0.257 -3.983 1.00 0.00 C ATOM 0 H MET A 46 10.559 4.326 -1.641 1.00 0.00 H new ATOM 0 HA MET A 46 8.683 3.227 0.366 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.467 1.785 -1.625 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.855 1.006 -0.179 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.534 1.435 -0.916 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.130 2.248 -2.349 1.00 0.00 H new ATOM 0 HE1 MET A 46 6.909 -0.610 -4.274 1.00 0.00 H new ATOM 0 HE2 MET A 46 6.840 1.101 -3.791 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.191 0.512 -4.788 1.00 0.00 H new ATOM 649 N THR A 47 10.485 3.028 2.070 1.00 0.00 N ATOM 650 CA THR A 47 11.506 3.092 3.108 1.00 0.00 C ATOM 651 C THR A 47 11.522 1.816 3.943 1.00 0.00 C ATOM 652 O THR A 47 10.472 1.303 4.330 1.00 0.00 O ATOM 653 CB THR A 47 11.285 4.299 4.041 1.00 0.00 C ATOM 654 OG1 THR A 47 11.478 5.519 3.316 1.00 0.00 O ATOM 655 CG2 THR A 47 12.239 4.251 5.225 1.00 0.00 C ATOM 0 H THR A 47 9.548 2.814 2.412 1.00 0.00 H new ATOM 0 HA THR A 47 12.465 3.204 2.601 1.00 0.00 H new ATOM 0 HB THR A 47 10.263 4.257 4.417 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.334 6.282 3.915 1.00 0.00 H new ATOM 0 HG21 THR A 47 12.064 5.113 5.869 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.070 3.335 5.791 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.267 4.271 4.865 1.00 0.00 H new ATOM 663 N LEU A 48 12.719 1.310 4.218 1.00 0.00 N ATOM 664 CA LEU A 48 12.872 0.094 5.009 1.00 0.00 C ATOM 665 C LEU A 48 13.934 0.275 6.088 1.00 0.00 C ATOM 666 O LEU A 48 15.128 0.080 5.858 1.00 0.00 O ATOM 667 CB LEU A 48 13.244 -1.083 4.104 1.00 0.00 C ATOM 668 CG LEU A 48 12.076 -1.896 3.545 1.00 0.00 C ATOM 669 CD1 LEU A 48 12.017 -1.773 2.030 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.195 -3.354 3.960 1.00 0.00 C ATOM 0 H LEU A 48 13.598 1.723 3.905 1.00 0.00 H new ATOM 0 HA LEU A 48 11.919 -0.115 5.495 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.828 -0.701 3.267 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.893 -1.756 4.665 1.00 0.00 H new ATOM 0 HG LEU A 48 11.149 -1.497 3.957 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.180 -2.358 1.650 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.883 -0.727 1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.946 -2.146 1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.355 -3.918 3.553 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.128 -3.766 3.577 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.187 -3.425 5.048 1.00 0.00 H new ATOM 682 N PRO A 49 13.492 0.657 7.295 1.00 0.00 N ATOM 683 CA PRO A 49 14.388 0.871 8.435 1.00 0.00 C ATOM 684 C PRO A 49 14.983 -0.432 8.957 1.00 0.00 C ATOM 685 O PRO A 49 14.628 -1.518 8.496 1.00 0.00 O ATOM 686 CB PRO A 49 13.475 1.501 9.491 1.00 0.00 C ATOM 687 CG PRO A 49 12.107 1.028 9.139 1.00 0.00 C ATOM 688 CD PRO A 49 12.083 0.908 7.640 1.00 0.00 C ATOM 0 HA PRO A 49 15.245 1.489 8.168 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.756 1.187 10.496 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.536 2.589 9.469 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.892 0.069 9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.350 1.731 9.486 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.438 0.093 7.312 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.710 1.818 7.170 1.00 0.00 H new ATOM 696 N VAL A 50 15.891 -0.319 9.922 1.00 0.00 N ATOM 697 CA VAL A 50 16.535 -1.488 10.507 1.00 0.00 C ATOM 698 C VAL A 50 16.795 -1.285 11.996 1.00 0.00 C ATOM 699 O VAL A 50 16.496 -0.228 12.550 1.00 0.00 O ATOM 700 CB VAL A 50 17.868 -1.806 9.803 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.623 -2.257 8.372 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.791 -0.596 9.841 1.00 0.00 C ATOM 0 H VAL A 50 16.197 0.571 10.315 1.00 0.00 H new ATOM 0 HA VAL A 50 15.852 -2.327 10.371 1.00 0.00 H new ATOM 0 HB VAL A 50 18.355 -2.623 10.336 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.576 -2.477 7.892 1.00 0.00 H new ATOM 0 HG12 VAL A 50 17.002 -3.153 8.374 1.00 0.00 H new ATOM 0 HG13 VAL A 50 17.114 -1.465 7.823 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.728 -0.837 9.340 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.313 0.242 9.334 1.00 0.00 H new ATOM 0 HG23 VAL A 50 18.993 -0.325 10.877 1.00 0.00 H new ATOM 803 N THR A 57 13.443 -4.037 10.580 1.00 0.00 N ATOM 804 CA THR A 57 12.572 -4.212 11.735 1.00 0.00 C ATOM 805 C THR A 57 11.211 -4.759 11.321 1.00 0.00 C ATOM 806 O THR A 57 10.195 -4.466 11.950 1.00 0.00 O ATOM 807 CB THR A 57 12.371 -2.886 12.493 1.00 0.00 C ATOM 808 OG1 THR A 57 11.575 -1.989 11.709 1.00 0.00 O ATOM 809 CG2 THR A 57 13.709 -2.236 12.813 1.00 0.00 C ATOM 0 HA THR A 57 13.062 -4.928 12.394 1.00 0.00 H new ATOM 0 HB THR A 57 11.858 -3.104 13.430 1.00 0.00 H new ATOM 0 HG1 THR A 57 11.451 -1.149 12.198 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.541 -1.301 13.348 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.301 -2.908 13.434 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.245 -2.032 11.886 1.00 0.00 H new ATOM 817 N GLY A 58 11.198 -5.558 10.258 1.00 0.00 N ATOM 818 CA GLY A 58 9.955 -6.134 9.778 1.00 0.00 C ATOM 819 C GLY A 58 8.921 -5.079 9.438 1.00 0.00 C ATOM 820 O GLY A 58 7.734 -5.381 9.317 1.00 0.00 O ATOM 0 H GLY A 58 12.026 -5.817 9.721 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.156 -6.740 8.894 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.551 -6.803 10.538 1.00 0.00 H new ATOM 824 N GLU A 59 9.372 -3.838 9.284 1.00 0.00 N ATOM 825 CA GLU A 59 8.475 -2.735 8.959 1.00 0.00 C ATOM 826 C GLU A 59 8.936 -2.014 7.695 1.00 0.00 C ATOM 827 O GLU A 59 10.100 -2.102 7.307 1.00 0.00 O ATOM 828 CB GLU A 59 8.401 -1.747 10.124 1.00 0.00 C ATOM 829 CG GLU A 59 7.649 -2.284 11.331 1.00 0.00 C ATOM 830 CD GLU A 59 8.205 -1.766 12.643 1.00 0.00 C ATOM 831 OE1 GLU A 59 8.329 -0.532 12.788 1.00 0.00 O ATOM 832 OE2 GLU A 59 8.514 -2.595 13.524 1.00 0.00 O ATOM 0 H GLU A 59 10.352 -3.571 9.379 1.00 0.00 H new ATOM 0 HA GLU A 59 7.483 -3.149 8.780 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.413 -1.479 10.427 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.917 -0.832 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.598 -2.007 11.252 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.693 -3.373 11.327 1.00 0.00 H new ATOM 839 N ALA A 60 8.013 -1.302 7.057 1.00 0.00 N ATOM 840 CA ALA A 60 8.323 -0.565 5.839 1.00 0.00 C ATOM 841 C ALA A 60 7.254 0.482 5.543 1.00 0.00 C ATOM 842 O ALA A 60 6.108 0.352 5.971 1.00 0.00 O ATOM 843 CB ALA A 60 8.466 -1.522 4.665 1.00 0.00 C ATOM 0 H ALA A 60 7.044 -1.220 7.364 1.00 0.00 H new ATOM 0 HA ALA A 60 9.270 -0.047 5.989 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.698 -0.958 3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.271 -2.229 4.868 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.532 -2.066 4.523 1.00 0.00 H new ATOM 849 N PHE A 61 7.638 1.522 4.810 1.00 0.00 N ATOM 850 CA PHE A 61 6.713 2.593 4.458 1.00 0.00 C ATOM 851 C PHE A 61 6.671 2.801 2.948 1.00 0.00 C ATOM 852 O PHE A 61 7.698 3.041 2.313 1.00 0.00 O ATOM 853 CB PHE A 61 7.119 3.895 5.153 1.00 0.00 C ATOM 854 CG PHE A 61 6.947 3.856 6.644 1.00 0.00 C ATOM 855 CD1 PHE A 61 7.978 3.424 7.463 1.00 0.00 C ATOM 856 CD2 PHE A 61 5.755 4.254 7.229 1.00 0.00 C ATOM 857 CE1 PHE A 61 7.824 3.389 8.836 1.00 0.00 C ATOM 858 CE2 PHE A 61 5.595 4.221 8.601 1.00 0.00 C ATOM 859 CZ PHE A 61 6.631 3.786 9.405 1.00 0.00 C ATOM 0 H PHE A 61 8.584 1.646 4.448 1.00 0.00 H new ATOM 0 HA PHE A 61 5.717 2.305 4.795 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.162 4.112 4.921 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.525 4.714 4.748 1.00 0.00 H new ATOM 0 HD1 PHE A 61 8.913 3.111 7.023 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.942 4.594 6.605 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.636 3.051 9.463 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.661 4.535 9.044 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.507 3.757 10.477 1.00 0.00 H new ATOM 869 N VAL A 62 5.474 2.707 2.376 1.00 0.00 N ATOM 870 CA VAL A 62 5.296 2.886 0.940 1.00 0.00 C ATOM 871 C VAL A 62 4.456 4.121 0.640 1.00 0.00 C ATOM 872 O VAL A 62 3.505 4.427 1.358 1.00 0.00 O ATOM 873 CB VAL A 62 4.626 1.655 0.300 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.594 1.791 -1.215 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.347 0.380 0.714 1.00 0.00 C ATOM 0 H VAL A 62 4.613 2.508 2.886 1.00 0.00 H new ATOM 0 HA VAL A 62 6.290 3.014 0.511 1.00 0.00 H new ATOM 0 HB VAL A 62 3.598 1.596 0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.117 0.912 -1.649 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.030 2.682 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.612 1.876 -1.594 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.860 -0.479 0.253 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.386 0.427 0.388 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.312 0.278 1.799 1.00 0.00 H new ATOM 885 N GLN A 63 4.815 4.828 -0.428 1.00 0.00 N ATOM 886 CA GLN A 63 4.093 6.033 -0.822 1.00 0.00 C ATOM 887 C GLN A 63 3.423 5.844 -2.179 1.00 0.00 C ATOM 888 O GLN A 63 4.082 5.871 -3.218 1.00 0.00 O ATOM 889 CB GLN A 63 5.045 7.229 -0.873 1.00 0.00 C ATOM 890 CG GLN A 63 4.346 8.551 -1.151 1.00 0.00 C ATOM 891 CD GLN A 63 5.320 9.700 -1.320 1.00 0.00 C ATOM 892 OE1 GLN A 63 6.492 9.596 -0.956 1.00 0.00 O ATOM 893 NE2 GLN A 63 4.838 10.806 -1.876 1.00 0.00 N ATOM 0 H GLN A 63 5.599 4.588 -1.034 1.00 0.00 H new ATOM 0 HA GLN A 63 3.320 6.224 -0.078 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.576 7.301 0.076 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.794 7.054 -1.645 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.742 8.456 -2.053 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.663 8.776 -0.332 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.860 10.848 -2.163 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.446 11.613 -2.016 1.00 0.00 H new ATOM 902 N PHE A 64 2.108 5.653 -2.162 1.00 0.00 N ATOM 903 CA PHE A 64 1.346 5.459 -3.390 1.00 0.00 C ATOM 904 C PHE A 64 1.190 6.775 -4.146 1.00 0.00 C ATOM 905 O PHE A 64 1.269 7.853 -3.559 1.00 0.00 O ATOM 906 CB PHE A 64 -0.031 4.871 -3.075 1.00 0.00 C ATOM 907 CG PHE A 64 -0.005 3.395 -2.804 1.00 0.00 C ATOM 908 CD1 PHE A 64 0.041 2.486 -3.850 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.026 2.914 -1.504 1.00 0.00 C ATOM 910 CE1 PHE A 64 0.064 1.126 -3.603 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.002 1.555 -1.252 1.00 0.00 C ATOM 912 CZ PHE A 64 0.043 0.661 -2.303 1.00 0.00 C ATOM 0 H PHE A 64 1.547 5.628 -1.310 1.00 0.00 H new ATOM 0 HA PHE A 64 1.894 4.760 -4.022 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.446 5.384 -2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.701 5.067 -3.912 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.059 2.844 -4.869 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.062 3.609 -0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.098 0.428 -4.426 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.018 1.193 -0.235 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.062 -0.401 -2.109 1.00 0.00 H new ATOM 922 N ALA A 65 0.967 6.677 -5.453 1.00 0.00 N ATOM 923 CA ALA A 65 0.798 7.857 -6.291 1.00 0.00 C ATOM 924 C ALA A 65 -0.179 8.842 -5.659 1.00 0.00 C ATOM 925 O ALA A 65 -0.037 10.056 -5.808 1.00 0.00 O ATOM 926 CB ALA A 65 0.322 7.456 -7.678 1.00 0.00 C ATOM 0 H ALA A 65 0.899 5.791 -5.954 1.00 0.00 H new ATOM 0 HA ALA A 65 1.766 8.351 -6.380 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.200 8.348 -8.293 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.057 6.796 -8.138 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.633 6.937 -7.599 1.00 0.00 H new ATOM 932 N SER A 66 -1.173 8.313 -4.951 1.00 0.00 N ATOM 933 CA SER A 66 -2.177 9.146 -4.300 1.00 0.00 C ATOM 934 C SER A 66 -3.021 8.323 -3.332 1.00 0.00 C ATOM 935 O SER A 66 -2.934 7.096 -3.306 1.00 0.00 O ATOM 936 CB SER A 66 -3.077 9.807 -5.345 1.00 0.00 C ATOM 937 OG SER A 66 -3.591 11.039 -4.870 1.00 0.00 O ATOM 0 H SER A 66 -1.304 7.311 -4.814 1.00 0.00 H new ATOM 0 HA SER A 66 -1.660 9.921 -3.735 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.512 9.975 -6.262 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.901 9.138 -5.595 1.00 0.00 H new ATOM 0 HG SER A 66 -4.162 11.442 -5.557 1.00 0.00 H new ATOM 943 N GLN A 67 -3.837 9.008 -2.539 1.00 0.00 N ATOM 944 CA GLN A 67 -4.697 8.341 -1.568 1.00 0.00 C ATOM 945 C GLN A 67 -5.602 7.322 -2.252 1.00 0.00 C ATOM 946 O GLN A 67 -5.681 6.169 -1.832 1.00 0.00 O ATOM 947 CB GLN A 67 -5.544 9.367 -0.815 1.00 0.00 C ATOM 948 CG GLN A 67 -5.477 9.221 0.697 1.00 0.00 C ATOM 949 CD GLN A 67 -6.792 8.766 1.298 1.00 0.00 C ATOM 950 OE1 GLN A 67 -7.839 9.368 1.058 1.00 0.00 O ATOM 951 NE2 GLN A 67 -6.745 7.698 2.085 1.00 0.00 N ATOM 0 H GLN A 67 -3.921 10.024 -2.549 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.059 7.815 -0.857 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.215 10.369 -1.090 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.582 9.274 -1.135 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -4.697 8.505 0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.191 10.176 1.138 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -5.855 7.230 2.257 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -7.599 7.346 2.518 1.00 0.00 H new ATOM 960 N GLU A 68 -6.282 7.757 -3.309 1.00 0.00 N ATOM 961 CA GLU A 68 -7.182 6.881 -4.050 1.00 0.00 C ATOM 962 C GLU A 68 -6.555 5.505 -4.256 1.00 0.00 C ATOM 963 O GLU A 68 -7.251 4.490 -4.259 1.00 0.00 O ATOM 964 CB GLU A 68 -7.533 7.502 -5.404 1.00 0.00 C ATOM 965 CG GLU A 68 -6.336 7.668 -6.325 1.00 0.00 C ATOM 966 CD GLU A 68 -6.472 8.864 -7.249 1.00 0.00 C ATOM 967 OE1 GLU A 68 -6.676 9.986 -6.740 1.00 0.00 O ATOM 968 OE2 GLU A 68 -6.375 8.677 -8.480 1.00 0.00 O ATOM 0 H GLU A 68 -6.227 8.709 -3.671 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.094 6.761 -3.466 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.278 6.878 -5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -7.992 8.477 -5.239 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.433 7.778 -5.725 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -6.214 6.764 -6.922 1.00 0.00 H new ATOM 975 N ILE A 69 -5.238 5.481 -4.428 1.00 0.00 N ATOM 976 CA ILE A 69 -4.518 4.231 -4.634 1.00 0.00 C ATOM 977 C ILE A 69 -4.128 3.596 -3.304 1.00 0.00 C ATOM 978 O ILE A 69 -4.088 2.373 -3.176 1.00 0.00 O ATOM 979 CB ILE A 69 -3.249 4.445 -5.480 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.621 4.919 -6.887 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.434 3.162 -5.546 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.423 5.167 -7.778 1.00 0.00 C ATOM 0 H ILE A 69 -4.648 6.313 -4.429 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.193 3.563 -5.169 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.640 5.215 -5.007 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.263 4.173 -7.355 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.203 5.838 -6.810 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.540 3.329 -6.147 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -2.143 2.864 -4.539 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.034 2.373 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.762 5.500 -8.759 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.791 5.935 -7.332 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.852 4.245 -7.885 1.00 0.00 H new ATOM 994 N ALA A 70 -3.842 4.436 -2.315 1.00 0.00 N ATOM 995 CA ALA A 70 -3.458 3.957 -0.992 1.00 0.00 C ATOM 996 C ALA A 70 -4.565 3.110 -0.373 1.00 0.00 C ATOM 997 O ALA A 70 -4.295 2.105 0.284 1.00 0.00 O ATOM 998 CB ALA A 70 -3.118 5.129 -0.085 1.00 0.00 C ATOM 0 H ALA A 70 -3.869 5.452 -2.404 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.574 3.329 -1.102 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -2.833 4.757 0.899 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.289 5.692 -0.514 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -3.988 5.779 0.011 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.810 3.523 -0.587 1.00 0.00 N ATOM 1005 CA GLU A 71 -6.957 2.803 -0.047 1.00 0.00 C ATOM 1006 C GLU A 71 -7.072 1.416 -0.675 1.00 0.00 C ATOM 1007 O GLU A 71 -7.322 0.428 0.015 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.244 3.592 -0.290 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.418 4.776 0.648 1.00 0.00 C ATOM 1010 CD GLU A 71 -9.874 5.081 0.939 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.591 4.169 1.400 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -10.297 6.232 0.705 1.00 0.00 O ATOM 0 H GLU A 71 -6.050 4.352 -1.130 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.808 2.687 1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.252 3.950 -1.319 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.097 2.923 -0.179 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -7.899 4.572 1.585 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -7.947 5.655 0.208 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.888 1.352 -1.990 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.971 0.087 -2.712 1.00 0.00 C ATOM 1021 C LYS A 72 -5.975 -0.924 -2.155 1.00 0.00 C ATOM 1022 O LYS A 72 -6.258 -2.120 -2.098 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.706 0.311 -4.203 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.611 1.357 -4.832 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.889 1.048 -6.293 1.00 0.00 C ATOM 1026 CE LYS A 72 -7.096 1.959 -7.216 1.00 0.00 C ATOM 1027 NZ LYS A 72 -6.365 1.190 -8.262 1.00 0.00 N ATOM 0 H LYS A 72 -6.681 2.160 -2.577 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.977 -0.312 -2.582 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.667 0.613 -4.337 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.834 -0.633 -4.732 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.552 1.403 -4.283 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.146 2.339 -4.749 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.636 0.008 -6.501 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.954 1.163 -6.494 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.771 2.669 -7.693 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.385 2.540 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.837 1.847 -8.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.702 0.530 -7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.045 0.655 -8.839 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.810 -0.436 -1.742 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.774 -1.297 -1.186 1.00 0.00 C ATOM 1043 C ALA A 73 -4.068 -1.638 0.271 1.00 0.00 C ATOM 1044 O ALA A 73 -3.663 -2.690 0.767 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.411 -0.631 -1.310 1.00 0.00 C ATOM 0 H ALA A 73 -4.560 0.552 -1.782 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.765 -2.227 -1.755 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.647 -1.285 -0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.192 -0.444 -2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.417 0.314 -0.767 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.773 -0.743 0.952 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.121 -0.948 2.354 1.00 0.00 C ATOM 1053 C LEU A 74 -5.843 -2.278 2.547 1.00 0.00 C ATOM 1054 O LEU A 74 -5.584 -3.005 3.505 1.00 0.00 O ATOM 1055 CB LEU A 74 -6.000 0.199 2.856 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.309 1.236 3.741 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.245 2.398 4.033 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.828 0.597 5.036 1.00 0.00 C ATOM 0 H LEU A 74 -5.116 0.133 0.557 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.197 -0.969 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.422 0.712 1.992 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.835 -0.226 3.413 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.441 1.622 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.735 3.126 4.664 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.539 2.872 3.097 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.133 2.030 4.548 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.339 1.350 5.653 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.680 0.183 5.576 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.121 -0.200 4.808 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.750 -2.591 1.627 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.508 -3.835 1.692 1.00 0.00 C ATOM 1072 C LYS A 75 -6.574 -5.040 1.721 1.00 0.00 C ATOM 1073 O LYS A 75 -6.986 -6.151 2.055 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.457 -3.941 0.496 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.403 -2.760 0.364 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.779 -3.081 0.923 1.00 0.00 C ATOM 1077 CE LYS A 75 -11.719 -1.892 0.807 1.00 0.00 C ATOM 1078 NZ LYS A 75 -13.001 -2.126 1.528 1.00 0.00 N ATOM 0 H LYS A 75 -6.978 -2.000 0.828 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.092 -3.828 2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.869 -4.028 -0.417 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.042 -4.856 0.587 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -8.988 -1.900 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.492 -2.480 -0.686 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.200 -3.933 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.689 -3.374 1.969 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -11.233 -1.004 1.210 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.925 -1.693 -0.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.614 -1.292 1.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.478 -2.959 1.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.807 -2.291 2.536 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.312 -4.814 1.371 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.317 -5.880 1.360 1.00 0.00 C ATOM 1094 C LYS A 76 -3.674 -6.038 2.733 1.00 0.00 C ATOM 1095 O LYS A 76 -2.483 -6.332 2.841 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.242 -5.591 0.310 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.804 -5.215 -1.049 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.736 -4.613 -1.947 1.00 0.00 C ATOM 1099 CE LYS A 76 -1.848 -5.687 -2.554 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.065 -5.824 -4.021 1.00 0.00 N ATOM 0 H LYS A 76 -4.954 -3.901 1.091 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.822 -6.812 1.106 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.606 -4.781 0.667 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.607 -6.470 0.201 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.226 -6.099 -1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.618 -4.502 -0.922 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.210 -4.039 -2.743 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.125 -3.917 -1.372 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.803 -5.444 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.048 -6.641 -2.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.236 -6.279 -4.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -2.909 -6.406 -4.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.202 -4.882 -4.441 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.469 -5.844 3.781 1.00 0.00 N ATOM 1115 CA HIS A 77 -3.976 -5.967 5.148 1.00 0.00 C ATOM 1116 C HIS A 77 -3.780 -7.432 5.525 1.00 0.00 C ATOM 1117 O HIS A 77 -4.375 -8.325 4.921 1.00 0.00 O ATOM 1118 CB HIS A 77 -4.946 -5.302 6.125 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.668 -5.625 7.560 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -3.820 -4.877 8.349 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.132 -6.622 8.349 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -3.772 -5.401 9.561 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -4.560 -6.461 9.587 1.00 0.00 N ATOM 0 H HIS A 77 -5.457 -5.601 3.709 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.011 -5.463 5.207 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.901 -4.221 5.989 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -5.962 -5.612 5.882 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -5.823 -7.399 8.059 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.188 -5.027 10.389 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -4.718 -7.062 10.396 1.00 0.00 H new ATOM 1131 N LYS A 78 -2.942 -7.673 6.528 1.00 0.00 N ATOM 1132 CA LYS A 78 -2.667 -9.029 6.986 1.00 0.00 C ATOM 1133 C LYS A 78 -2.324 -9.942 5.813 1.00 0.00 C ATOM 1134 O LYS A 78 -2.390 -11.165 5.928 1.00 0.00 O ATOM 1135 CB LYS A 78 -3.874 -9.588 7.744 1.00 0.00 C ATOM 1136 CG LYS A 78 -3.705 -9.572 9.254 1.00 0.00 C ATOM 1137 CD LYS A 78 -2.500 -10.391 9.688 1.00 0.00 C ATOM 1138 CE LYS A 78 -2.614 -10.822 11.142 1.00 0.00 C ATOM 1139 NZ LYS A 78 -1.279 -11.054 11.759 1.00 0.00 N ATOM 0 H LYS A 78 -2.442 -6.946 7.039 1.00 0.00 H new ATOM 0 HA LYS A 78 -1.809 -8.991 7.657 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.759 -9.009 7.480 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.055 -10.612 7.418 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.590 -8.544 9.598 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -4.604 -9.967 9.726 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.409 -11.272 9.052 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.592 -9.804 9.551 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.147 -10.057 11.707 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.206 -11.735 11.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.400 -11.346 12.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.780 -11.802 11.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.723 -10.176 11.723 1.00 0.00 H new ATOM 1153 N GLU A 79 -1.956 -9.338 4.687 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.602 -10.097 3.494 1.00 0.00 C ATOM 1155 C GLU A 79 -0.180 -10.642 3.598 1.00 0.00 C ATOM 1156 O GLU A 79 0.788 -9.882 3.613 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.734 -9.221 2.246 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.174 -8.973 1.828 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.733 -10.090 0.970 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -3.627 -11.265 1.381 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -4.280 -9.790 -0.112 1.00 0.00 O ATOM 0 H GLU A 79 -1.895 -8.326 4.577 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.290 -10.938 3.413 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.248 -8.263 2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.201 -9.695 1.421 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.792 -8.860 2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.232 -8.034 1.278 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.063 -11.963 3.670 1.00 0.00 N ATOM 1169 CA ARG A 80 1.239 -12.611 3.774 1.00 0.00 C ATOM 1170 C ARG A 80 1.950 -12.622 2.425 1.00 0.00 C ATOM 1171 O ARG A 80 1.315 -12.761 1.379 1.00 0.00 O ATOM 1172 CB ARG A 80 1.082 -14.042 4.291 1.00 0.00 C ATOM 1173 CG ARG A 80 0.292 -14.944 3.357 1.00 0.00 C ATOM 1174 CD ARG A 80 1.210 -15.736 2.440 1.00 0.00 C ATOM 1175 NE ARG A 80 0.543 -16.125 1.201 1.00 0.00 N ATOM 1176 CZ ARG A 80 0.979 -17.094 0.404 1.00 0.00 C ATOM 1177 NH1 ARG A 80 2.076 -17.770 0.715 1.00 0.00 N ATOM 1178 NH2 ARG A 80 0.316 -17.389 -0.708 1.00 0.00 N ATOM 0 H ARG A 80 -0.854 -12.606 3.658 1.00 0.00 H new ATOM 0 HA ARG A 80 1.844 -12.042 4.480 1.00 0.00 H new ATOM 0 HB2 ARG A 80 2.071 -14.473 4.448 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.587 -14.016 5.262 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.319 -15.630 3.943 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.391 -14.341 2.758 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.091 -15.139 2.205 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.559 -16.628 2.959 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.305 -15.625 0.933 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.588 -17.547 1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.408 -18.514 0.101 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.529 -16.871 -0.951 1.00 0.00 H new ATOM 0 HH22 ARG A 80 0.651 -18.133 -1.320 1.00 0.00 H new ATOM 1192 N ILE A 81 3.271 -12.474 2.455 1.00 0.00 N ATOM 1193 CA ILE A 81 4.067 -12.467 1.235 1.00 0.00 C ATOM 1194 C ILE A 81 5.104 -13.587 1.248 1.00 0.00 C ATOM 1195 O ILE A 81 6.236 -13.393 1.687 1.00 0.00 O ATOM 1196 CB ILE A 81 4.787 -11.120 1.039 1.00 0.00 C ATOM 1197 CG1 ILE A 81 3.767 -9.993 0.870 1.00 0.00 C ATOM 1198 CG2 ILE A 81 5.717 -11.186 -0.163 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.348 -8.614 1.088 1.00 0.00 C ATOM 0 H ILE A 81 3.812 -12.357 3.312 1.00 0.00 H new ATOM 0 HA ILE A 81 3.375 -12.624 0.407 1.00 0.00 H new ATOM 0 HB ILE A 81 5.387 -10.912 1.925 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.343 -10.045 -0.133 1.00 0.00 H new ATOM 0 HG13 ILE A 81 2.947 -10.148 1.571 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.218 -10.226 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.461 -11.966 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.139 -11.413 -1.059 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.568 -7.865 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.747 -8.543 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.149 -8.439 0.369 1.00 0.00 H new ATOM 1211 N GLY A 82 4.706 -14.759 0.764 1.00 0.00 N ATOM 1212 CA GLY A 82 5.612 -15.892 0.728 1.00 0.00 C ATOM 1213 C GLY A 82 5.468 -16.790 1.942 1.00 0.00 C ATOM 1214 O GLY A 82 5.471 -18.014 1.821 1.00 0.00 O ATOM 0 H GLY A 82 3.773 -14.944 0.396 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.425 -16.474 -0.175 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.638 -15.530 0.667 1.00 0.00 H new ATOM 1218 N HIS A 83 5.341 -16.178 3.115 1.00 0.00 N ATOM 1219 CA HIS A 83 5.196 -16.930 4.357 1.00 0.00 C ATOM 1220 C HIS A 83 5.333 -16.011 5.567 1.00 0.00 C ATOM 1221 O HIS A 83 5.978 -16.363 6.556 1.00 0.00 O ATOM 1222 CB HIS A 83 6.239 -18.045 4.428 1.00 0.00 C ATOM 1223 CG HIS A 83 7.603 -17.619 3.978 1.00 0.00 C ATOM 1224 ND1 HIS A 83 8.173 -16.417 4.339 1.00 0.00 N ATOM 1225 CD2 HIS A 83 8.512 -18.243 3.193 1.00 0.00 C ATOM 1226 CE1 HIS A 83 9.373 -16.319 3.795 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.603 -17.415 3.095 1.00 0.00 N ATOM 0 H HIS A 83 5.336 -15.165 3.232 1.00 0.00 H new ATOM 0 HA HIS A 83 4.200 -17.374 4.370 1.00 0.00 H new ATOM 0 HB2 HIS A 83 6.301 -18.409 5.454 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.907 -18.881 3.813 1.00 0.00 H new ATOM 0 HD2 HIS A 83 8.400 -19.212 2.730 1.00 0.00 H new ATOM 0 HE1 HIS A 83 10.050 -15.485 3.904 1.00 0.00 H new ATOM 0 HE2 HIS A 83 10.453 -17.614 2.567 1.00 0.00 H new ATOM 1235 N ARG A 84 4.724 -14.833 5.483 1.00 0.00 N ATOM 1236 CA ARG A 84 4.781 -13.864 6.570 1.00 0.00 C ATOM 1237 C ARG A 84 3.681 -12.816 6.421 1.00 0.00 C ATOM 1238 O ARG A 84 3.752 -11.946 5.552 1.00 0.00 O ATOM 1239 CB ARG A 84 6.150 -13.181 6.602 1.00 0.00 C ATOM 1240 CG ARG A 84 7.020 -13.618 7.770 1.00 0.00 C ATOM 1241 CD ARG A 84 6.606 -12.928 9.061 1.00 0.00 C ATOM 1242 NE ARG A 84 7.555 -13.177 10.143 1.00 0.00 N ATOM 1243 CZ ARG A 84 8.767 -12.634 10.195 1.00 0.00 C ATOM 1244 NH1 ARG A 84 9.173 -11.818 9.233 1.00 0.00 N ATOM 1245 NH2 ARG A 84 9.574 -12.908 11.212 1.00 0.00 N ATOM 0 H ARG A 84 4.185 -14.527 4.673 1.00 0.00 H new ATOM 0 HA ARG A 84 4.627 -14.398 7.508 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.674 -13.392 5.670 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.007 -12.101 6.650 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.948 -14.699 7.894 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.064 -13.391 7.553 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.526 -11.855 8.889 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.617 -13.278 9.358 1.00 0.00 H new ATOM 0 HE ARG A 84 7.273 -13.801 10.899 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.555 -11.605 8.450 1.00 0.00 H new ATOM 0 HH12 ARG A 84 10.104 -11.403 9.276 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.264 -13.535 11.954 1.00 0.00 H new ATOM 0 HH22 ARG A 84 10.504 -12.491 11.252 1.00 0.00 H new ATOM 1259 N TYR A 85 2.667 -12.906 7.274 1.00 0.00 N ATOM 1260 CA TYR A 85 1.551 -11.967 7.237 1.00 0.00 C ATOM 1261 C TYR A 85 2.048 -10.527 7.302 1.00 0.00 C ATOM 1262 O TYR A 85 2.969 -10.210 8.055 1.00 0.00 O ATOM 1263 CB TYR A 85 0.589 -12.240 8.395 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.154 -13.551 8.268 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.082 -13.751 7.253 1.00 0.00 C ATOM 1266 CD2 TYR A 85 0.069 -14.588 9.164 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -1.764 -14.946 7.133 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -0.607 -15.788 9.051 1.00 0.00 C ATOM 1269 CZ TYR A 85 -1.524 -15.962 8.035 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.200 -17.154 7.921 1.00 0.00 O ATOM 0 H TYR A 85 2.594 -13.619 8.000 1.00 0.00 H new ATOM 0 HA TYR A 85 1.023 -12.107 6.294 1.00 0.00 H new ATOM 0 HB2 TYR A 85 1.149 -12.239 9.330 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.134 -11.427 8.455 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.273 -12.958 6.545 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.783 -14.454 9.963 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.481 -15.084 6.337 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.418 -16.586 9.754 1.00 0.00 H new ATOM 0 HH TYR A 85 -1.913 -17.762 8.634 1.00 0.00 H new ATOM 1280 N ILE A 86 1.430 -9.658 6.508 1.00 0.00 N ATOM 1281 CA ILE A 86 1.808 -8.251 6.477 1.00 0.00 C ATOM 1282 C ILE A 86 0.669 -7.365 6.972 1.00 0.00 C ATOM 1283 O ILE A 86 -0.449 -7.433 6.462 1.00 0.00 O ATOM 1284 CB ILE A 86 2.209 -7.807 5.058 1.00 0.00 C ATOM 1285 CG1 ILE A 86 3.081 -8.875 4.394 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.939 -6.474 5.107 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.539 -8.794 4.786 1.00 0.00 C ATOM 0 H ILE A 86 0.666 -9.904 5.878 1.00 0.00 H new ATOM 0 HA ILE A 86 2.666 -8.140 7.140 1.00 0.00 H new ATOM 0 HB ILE A 86 1.305 -7.681 4.463 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.697 -9.861 4.656 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.998 -8.778 3.311 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.216 -6.173 4.097 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.287 -5.718 5.545 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.838 -6.574 5.715 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.097 -9.581 4.278 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.940 -7.822 4.499 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.633 -8.921 5.864 1.00 0.00 H new ATOM 1299 N GLU A 87 0.963 -6.533 7.967 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.036 -5.633 8.529 1.00 0.00 C ATOM 1301 C GLU A 87 0.118 -4.225 7.961 1.00 0.00 C ATOM 1302 O GLU A 87 1.087 -3.527 8.259 1.00 0.00 O ATOM 1303 CB GLU A 87 0.080 -5.594 10.054 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.162 -6.940 10.717 1.00 0.00 C ATOM 1305 CD GLU A 87 1.098 -7.525 11.327 1.00 0.00 C ATOM 1306 OE1 GLU A 87 1.637 -6.915 12.274 1.00 0.00 O ATOM 1307 OE2 GLU A 87 1.545 -8.592 10.857 1.00 0.00 O ATOM 0 H GLU A 87 1.884 -6.464 8.400 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.021 -6.011 8.256 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.074 -5.238 10.325 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.636 -4.871 10.446 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -0.919 -6.828 11.493 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.562 -7.637 9.981 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.844 -3.817 7.140 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.815 -2.493 6.530 1.00 0.00 C ATOM 1316 C ILE A 88 -1.669 -1.506 7.320 1.00 0.00 C ATOM 1317 O ILE A 88 -2.801 -1.809 7.695 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.314 -2.534 5.073 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.338 -3.325 4.200 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.492 -1.122 4.534 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.014 -4.103 3.092 1.00 0.00 C ATOM 0 H ILE A 88 -1.652 -4.383 6.882 1.00 0.00 H new ATOM 0 HA ILE A 88 0.224 -2.162 6.541 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.282 -3.035 5.049 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.385 -2.637 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.222 -4.017 4.830 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.845 -1.168 3.504 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -2.221 -0.589 5.144 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.538 -0.597 4.568 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.262 -4.640 2.513 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.716 -4.816 3.524 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.551 -3.415 2.439 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.117 -0.322 7.566 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.827 0.711 8.311 1.00 0.00 C ATOM 1335 C PHE A 89 -1.577 2.088 7.703 1.00 0.00 C ATOM 1336 O PHE A 89 -0.436 2.545 7.619 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.392 0.703 9.778 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.650 -0.604 10.472 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -2.944 -1.073 10.635 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.600 -1.363 10.962 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.185 -2.275 11.274 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -0.835 -2.566 11.601 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.130 -3.022 11.757 1.00 0.00 C ATOM 0 H PHE A 89 -0.181 -0.055 7.261 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.894 0.496 8.255 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.328 0.931 9.834 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.917 1.497 10.309 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.773 -0.493 10.259 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.414 -1.011 10.843 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.198 -2.629 11.395 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.007 -3.149 11.978 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.316 -3.961 12.256 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.652 2.745 7.279 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.551 4.070 6.679 1.00 0.00 C ATOM 1355 C LYS A 90 -1.562 4.941 7.446 1.00 0.00 C ATOM 1356 O LYS A 90 -1.517 4.910 8.676 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.925 4.744 6.650 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.361 5.176 5.260 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.879 6.581 4.937 1.00 0.00 C ATOM 1360 CE LYS A 90 -3.498 6.715 3.470 1.00 0.00 C ATOM 1361 NZ LYS A 90 -3.197 8.127 3.102 1.00 0.00 N ATOM 0 H LYS A 90 -3.603 2.381 7.340 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.188 3.953 5.658 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.666 4.056 7.057 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.907 5.616 7.303 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.970 4.477 4.521 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.448 5.138 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.662 7.300 5.178 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -3.019 6.825 5.561 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.628 6.092 3.262 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.312 6.343 2.848 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -3.008 8.187 2.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.011 8.729 3.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -2.361 8.452 3.628 1.00 0.00 H new ATOM 1375 N SER A 91 -0.774 5.720 6.713 1.00 0.00 N ATOM 1376 CA SER A 91 0.216 6.599 7.324 1.00 0.00 C ATOM 1377 C SER A 91 0.414 7.860 6.488 1.00 0.00 C ATOM 1378 O SER A 91 -0.330 8.113 5.541 1.00 0.00 O ATOM 1379 CB SER A 91 1.550 5.866 7.486 1.00 0.00 C ATOM 1380 OG SER A 91 2.364 6.497 8.460 1.00 0.00 O ATOM 0 H SER A 91 -0.802 5.761 5.694 1.00 0.00 H new ATOM 0 HA SER A 91 -0.152 6.891 8.308 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.367 4.831 7.776 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.074 5.842 6.530 1.00 0.00 H new ATOM 0 HG SER A 91 3.209 6.009 8.546 1.00 0.00 H new ATOM 1386 N SER A 92 1.425 8.646 6.845 1.00 0.00 N ATOM 1387 CA SER A 92 1.720 9.883 6.131 1.00 0.00 C ATOM 1388 C SER A 92 3.225 10.071 5.968 1.00 0.00 C ATOM 1389 O SER A 92 4.021 9.394 6.621 1.00 0.00 O ATOM 1390 CB SER A 92 1.123 11.080 6.873 1.00 0.00 C ATOM 1391 OG SER A 92 0.266 11.828 6.028 1.00 0.00 O ATOM 0 H SER A 92 2.053 8.448 7.624 1.00 0.00 H new ATOM 0 HA SER A 92 1.270 9.817 5.140 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.567 10.732 7.744 1.00 0.00 H new ATOM 0 HB3 SER A 92 1.925 11.720 7.242 1.00 0.00 H new ATOM 0 HG SER A 92 -0.104 12.586 6.526 1.00 0.00 H new ATOM 1397 N ARG A 93 3.609 10.992 5.092 1.00 0.00 N ATOM 1398 CA ARG A 93 5.019 11.268 4.842 1.00 0.00 C ATOM 1399 C ARG A 93 5.737 11.645 6.135 1.00 0.00 C ATOM 1400 O ARG A 93 6.831 11.157 6.413 1.00 0.00 O ATOM 1401 CB ARG A 93 5.166 12.396 3.818 1.00 0.00 C ATOM 1402 CG ARG A 93 6.574 12.537 3.265 1.00 0.00 C ATOM 1403 CD ARG A 93 6.571 13.181 1.887 1.00 0.00 C ATOM 1404 NE ARG A 93 7.918 13.528 1.442 1.00 0.00 N ATOM 1405 CZ ARG A 93 8.186 14.045 0.249 1.00 0.00 C ATOM 1406 NH1 ARG A 93 7.206 14.275 -0.615 1.00 0.00 N ATOM 1407 NH2 ARG A 93 9.438 14.334 -0.084 1.00 0.00 N ATOM 0 H ARG A 93 2.964 11.560 4.543 1.00 0.00 H new ATOM 0 HA ARG A 93 5.475 10.362 4.443 1.00 0.00 H new ATOM 0 HB2 ARG A 93 4.477 12.218 2.993 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.871 13.337 4.282 1.00 0.00 H new ATOM 0 HG2 ARG A 93 7.175 13.138 3.947 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.043 11.555 3.208 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.117 12.498 1.169 1.00 0.00 H new ATOM 0 HD3 ARG A 93 5.954 14.079 1.908 1.00 0.00 H new ATOM 0 HE ARG A 93 8.695 13.364 2.082 1.00 0.00 H new ATOM 0 HH11 ARG A 93 6.242 14.055 -0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 93 7.416 14.672 -1.531 1.00 0.00 H new ATOM 0 HH21 ARG A 93 10.195 14.159 0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 93 9.643 14.731 -1.001 1.00 0.00 H new