USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=14 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 90:sc= -4.2! USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 GLN : amide:sc= -0.0931 X(o=-0.093,f=-0.49) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.583 K(o=-0.58,f=-1.8) USER MOD Single : A 46 MET CE :methyl -140:sc= -0.334 (180deg=-2.95!) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -31:sc= 0.0122 USER MOD Single : A 63 GLN : amide:sc= -1.16 X(o=-1.2,f=-1.1) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.281 K(o=-0.28,f=-2.8!) 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+ 162:sc= 0.00354 (180deg=0) USER MOD Single : A 77 HIS : no HE2:sc= -2.91 X(o=-2.9,f=-3.2!) USER MOD Single : A 78 LYS NZ :NH3+ 161:sc= 0.0467 (180deg=0.0139) USER MOD Single : A 83 HIS : no HD1:sc= -0.944 X(o=-0.94,f=-0.84) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0991) USER MOD Single : A 91 SER OG : rot 31:sc= 0.117 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 16 -0.860 9.317 0.306 1.00 0.00 N ATOM 168 CA GLY A 16 -1.064 7.908 0.025 1.00 0.00 C ATOM 169 C GLY A 16 0.012 7.033 0.638 1.00 0.00 C ATOM 170 O GLY A 16 0.425 6.037 0.044 1.00 0.00 O ATOM 0 HA2 GLY A 16 -2.038 7.602 0.407 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -1.082 7.755 -1.054 1.00 0.00 H new ATOM 174 N PHE A 17 0.468 7.405 1.830 1.00 0.00 N ATOM 175 CA PHE A 17 1.504 6.648 2.522 1.00 0.00 C ATOM 176 C PHE A 17 0.894 5.513 3.339 1.00 0.00 C ATOM 177 O PHE A 17 -0.240 5.609 3.808 1.00 0.00 O ATOM 178 CB PHE A 17 2.313 7.571 3.436 1.00 0.00 C ATOM 179 CG PHE A 17 3.752 7.710 3.026 1.00 0.00 C ATOM 180 CD1 PHE A 17 4.669 6.716 3.323 1.00 0.00 C ATOM 181 CD2 PHE A 17 4.186 8.835 2.342 1.00 0.00 C ATOM 182 CE1 PHE A 17 5.994 6.840 2.947 1.00 0.00 C ATOM 183 CE2 PHE A 17 5.508 8.964 1.963 1.00 0.00 C ATOM 184 CZ PHE A 17 6.413 7.966 2.267 1.00 0.00 C ATOM 0 H PHE A 17 0.136 8.226 2.336 1.00 0.00 H new ATOM 0 HA PHE A 17 2.167 6.217 1.772 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.849 8.557 3.445 1.00 0.00 H new ATOM 0 HB3 PHE A 17 2.269 7.189 4.456 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.346 5.833 3.855 1.00 0.00 H new ATOM 0 HD2 PHE A 17 3.483 9.619 2.103 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.699 6.058 3.185 1.00 0.00 H new ATOM 0 HE2 PHE A 17 5.834 9.845 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.447 8.066 1.973 1.00 0.00 H new ATOM 194 N VAL A 18 1.656 4.436 3.503 1.00 0.00 N ATOM 195 CA VAL A 18 1.192 3.280 4.263 1.00 0.00 C ATOM 196 C VAL A 18 2.332 2.650 5.055 1.00 0.00 C ATOM 197 O VAL A 18 3.498 2.760 4.678 1.00 0.00 O ATOM 198 CB VAL A 18 0.572 2.215 3.340 1.00 0.00 C ATOM 199 CG1 VAL A 18 -0.791 2.669 2.838 1.00 0.00 C ATOM 200 CG2 VAL A 18 1.503 1.911 2.177 1.00 0.00 C ATOM 0 H VAL A 18 2.597 4.340 3.120 1.00 0.00 H new ATOM 0 HA VAL A 18 0.429 3.640 4.954 1.00 0.00 H new ATOM 0 HB VAL A 18 0.434 1.299 3.914 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.213 1.903 2.187 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.456 2.831 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -0.682 3.599 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.049 1.156 1.535 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.676 2.821 1.602 1.00 0.00 H new ATOM 0 HG23 VAL A 18 2.453 1.538 2.559 1.00 0.00 H new ATOM 210 N ARG A 19 1.985 1.989 6.155 1.00 0.00 N ATOM 211 CA ARG A 19 2.979 1.342 7.002 1.00 0.00 C ATOM 212 C ARG A 19 2.754 -0.166 7.050 1.00 0.00 C ATOM 213 O ARG A 19 1.637 -0.631 7.279 1.00 0.00 O ATOM 214 CB ARG A 19 2.930 1.920 8.417 1.00 0.00 C ATOM 215 CG ARG A 19 3.784 1.158 9.417 1.00 0.00 C ATOM 216 CD ARG A 19 3.248 1.304 10.832 1.00 0.00 C ATOM 217 NE ARG A 19 4.253 1.841 11.746 1.00 0.00 N ATOM 218 CZ ARG A 19 3.996 2.177 13.006 1.00 0.00 C ATOM 219 NH1 ARG A 19 2.774 2.030 13.498 1.00 0.00 N ATOM 220 NH2 ARG A 19 4.964 2.660 13.775 1.00 0.00 N ATOM 0 H ARG A 19 1.023 1.888 6.480 1.00 0.00 H new ATOM 0 HA ARG A 19 3.963 1.532 6.573 1.00 0.00 H new ATOM 0 HB2 ARG A 19 3.260 2.958 8.388 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.896 1.923 8.763 1.00 0.00 H new ATOM 0 HG2 ARG A 19 3.812 0.103 9.144 1.00 0.00 H new ATOM 0 HG3 ARG A 19 4.810 1.525 9.376 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.378 1.960 10.824 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.911 0.333 11.194 1.00 0.00 H new ATOM 0 HE ARG A 19 5.204 1.965 11.398 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.029 1.658 12.909 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.579 2.289 14.465 1.00 0.00 H new ATOM 0 HH21 ARG A 19 5.905 2.773 13.399 1.00 0.00 H new ATOM 0 HH22 ARG A 19 4.767 2.918 14.742 1.00 0.00 H new ATOM 234 N LEU A 20 3.821 -0.927 6.830 1.00 0.00 N ATOM 235 CA LEU A 20 3.741 -2.383 6.847 1.00 0.00 C ATOM 236 C LEU A 20 4.351 -2.947 8.126 1.00 0.00 C ATOM 237 O LEU A 20 5.323 -2.406 8.653 1.00 0.00 O ATOM 238 CB LEU A 20 4.454 -2.968 5.627 1.00 0.00 C ATOM 239 CG LEU A 20 4.330 -2.167 4.330 1.00 0.00 C ATOM 240 CD1 LEU A 20 5.079 -2.860 3.202 1.00 0.00 C ATOM 241 CD2 LEU A 20 2.867 -1.973 3.960 1.00 0.00 C ATOM 0 H LEU A 20 4.753 -0.559 6.638 1.00 0.00 H new ATOM 0 HA LEU A 20 2.688 -2.664 6.814 1.00 0.00 H new ATOM 0 HB2 LEU A 20 5.512 -3.074 5.866 1.00 0.00 H new ATOM 0 HB3 LEU A 20 4.065 -3.971 5.450 1.00 0.00 H new ATOM 0 HG LEU A 20 4.777 -1.186 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 20 4.980 -2.276 2.287 1.00 0.00 H new ATOM 0 HD12 LEU A 20 6.133 -2.947 3.465 1.00 0.00 H new ATOM 0 HD13 LEU A 20 4.661 -3.854 3.045 1.00 0.00 H new ATOM 0 HD21 LEU A 20 2.798 -1.401 3.035 1.00 0.00 H new ATOM 0 HD22 LEU A 20 2.395 -2.946 3.821 1.00 0.00 H new ATOM 0 HD23 LEU A 20 2.358 -1.433 4.759 1.00 0.00 H new ATOM 253 N ARG A 21 3.774 -4.038 8.619 1.00 0.00 N ATOM 254 CA ARG A 21 4.262 -4.677 9.836 1.00 0.00 C ATOM 255 C ARG A 21 4.256 -6.197 9.693 1.00 0.00 C ATOM 256 O ARG A 21 3.228 -6.796 9.381 1.00 0.00 O ATOM 257 CB ARG A 21 3.405 -4.262 11.034 1.00 0.00 C ATOM 258 CG ARG A 21 4.112 -3.319 11.991 1.00 0.00 C ATOM 259 CD ARG A 21 3.307 -3.108 13.264 1.00 0.00 C ATOM 260 NE ARG A 21 3.592 -1.818 13.885 1.00 0.00 N ATOM 261 CZ ARG A 21 4.761 -1.509 14.435 1.00 0.00 C ATOM 262 NH1 ARG A 21 5.750 -2.393 14.438 1.00 0.00 N ATOM 263 NH2 ARG A 21 4.944 -0.314 14.981 1.00 0.00 N ATOM 0 H ARG A 21 2.968 -4.498 8.195 1.00 0.00 H new ATOM 0 HA ARG A 21 5.288 -4.350 10.002 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.496 -3.783 10.671 1.00 0.00 H new ATOM 0 HB3 ARG A 21 3.099 -5.156 11.578 1.00 0.00 H new ATOM 0 HG2 ARG A 21 5.093 -3.723 12.242 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.278 -2.359 11.501 1.00 0.00 H new ATOM 0 HD2 ARG A 21 2.243 -3.173 13.035 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.530 -3.907 13.971 1.00 0.00 H new ATOM 0 HE ARG A 21 2.853 -1.115 13.897 1.00 0.00 H new ATOM 0 HH11 ARG A 21 5.614 -3.312 14.017 1.00 0.00 H new ATOM 0 HH12 ARG A 21 6.647 -2.154 14.861 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.186 0.369 14.979 1.00 0.00 H new ATOM 0 HH22 ARG A 21 5.842 -0.078 15.403 1.00 0.00 H new ATOM 277 N GLY A 22 5.411 -6.812 9.923 1.00 0.00 N ATOM 278 CA GLY A 22 5.517 -8.256 9.814 1.00 0.00 C ATOM 279 C GLY A 22 6.053 -8.698 8.467 1.00 0.00 C ATOM 280 O GLY A 22 5.602 -9.699 7.909 1.00 0.00 O ATOM 0 H GLY A 22 6.275 -6.337 10.183 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.171 -8.630 10.602 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.536 -8.702 9.975 1.00 0.00 H new ATOM 284 N LEU A 23 7.016 -7.949 7.941 1.00 0.00 N ATOM 285 CA LEU A 23 7.614 -8.268 6.649 1.00 0.00 C ATOM 286 C LEU A 23 8.472 -9.527 6.742 1.00 0.00 C ATOM 287 O LEU A 23 9.080 -9.818 7.772 1.00 0.00 O ATOM 288 CB LEU A 23 8.461 -7.095 6.153 1.00 0.00 C ATOM 289 CG LEU A 23 7.706 -5.797 5.865 1.00 0.00 C ATOM 290 CD1 LEU A 23 8.680 -4.672 5.555 1.00 0.00 C ATOM 291 CD2 LEU A 23 6.729 -5.993 4.713 1.00 0.00 C ATOM 0 H LEU A 23 7.399 -7.117 8.389 1.00 0.00 H new ATOM 0 HA LEU A 23 6.808 -8.452 5.939 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.230 -6.887 6.897 1.00 0.00 H new ATOM 0 HB3 LEU A 23 8.974 -7.403 5.242 1.00 0.00 H new ATOM 0 HG LEU A 23 7.138 -5.523 6.754 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.125 -3.756 5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.339 -4.516 6.409 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.275 -4.936 4.681 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.200 -5.059 4.522 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.276 -6.290 3.818 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.010 -6.770 4.974 1.00 0.00 H new ATOM 303 N PRO A 24 8.523 -10.290 5.640 1.00 0.00 N ATOM 304 CA PRO A 24 9.307 -11.528 5.571 1.00 0.00 C ATOM 305 C PRO A 24 10.808 -11.265 5.579 1.00 0.00 C ATOM 306 O PRO A 24 11.250 -10.128 5.417 1.00 0.00 O ATOM 307 CB PRO A 24 8.879 -12.145 4.237 1.00 0.00 C ATOM 308 CG PRO A 24 8.426 -10.988 3.413 1.00 0.00 C ATOM 309 CD PRO A 24 7.823 -10.003 4.377 1.00 0.00 C ATOM 0 HA PRO A 24 9.127 -12.172 6.432 1.00 0.00 H new ATOM 0 HB2 PRO A 24 9.706 -12.671 3.760 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.077 -12.871 4.375 1.00 0.00 H new ATOM 0 HG2 PRO A 24 9.261 -10.543 2.872 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.695 -11.302 2.668 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.983 -8.975 4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.746 -10.143 4.473 1.00 0.00 H new ATOM 317 N PHE A 25 11.589 -12.324 5.768 1.00 0.00 N ATOM 318 CA PHE A 25 13.041 -12.207 5.798 1.00 0.00 C ATOM 319 C PHE A 25 13.574 -11.703 4.460 1.00 0.00 C ATOM 320 O PHE A 25 13.255 -12.251 3.406 1.00 0.00 O ATOM 321 CB PHE A 25 13.676 -13.558 6.136 1.00 0.00 C ATOM 322 CG PHE A 25 14.026 -13.710 7.589 1.00 0.00 C ATOM 323 CD1 PHE A 25 14.994 -12.906 8.169 1.00 0.00 C ATOM 324 CD2 PHE A 25 13.388 -14.656 8.374 1.00 0.00 C ATOM 325 CE1 PHE A 25 15.318 -13.042 9.506 1.00 0.00 C ATOM 326 CE2 PHE A 25 13.708 -14.797 9.710 1.00 0.00 C ATOM 327 CZ PHE A 25 14.675 -13.990 10.277 1.00 0.00 C ATOM 0 H PHE A 25 11.240 -13.273 5.903 1.00 0.00 H new ATOM 0 HA PHE A 25 13.306 -11.485 6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.989 -14.355 5.851 1.00 0.00 H new ATOM 0 HB3 PHE A 25 14.578 -13.686 5.538 1.00 0.00 H new ATOM 0 HD1 PHE A 25 15.501 -12.164 7.570 1.00 0.00 H new ATOM 0 HD2 PHE A 25 12.632 -15.291 7.936 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.073 -12.408 9.947 1.00 0.00 H new ATOM 0 HE2 PHE A 25 13.202 -15.538 10.311 1.00 0.00 H new ATOM 0 HZ PHE A 25 14.928 -14.100 11.321 1.00 0.00 H new ATOM 337 N GLY A 26 14.389 -10.653 4.512 1.00 0.00 N ATOM 338 CA GLY A 26 14.953 -10.091 3.298 1.00 0.00 C ATOM 339 C GLY A 26 13.920 -9.357 2.465 1.00 0.00 C ATOM 340 O GLY A 26 14.084 -9.207 1.253 1.00 0.00 O ATOM 0 H GLY A 26 14.668 -10.182 5.373 1.00 0.00 H new ATOM 0 HA2 GLY A 26 15.759 -9.405 3.559 1.00 0.00 H new ATOM 0 HA3 GLY A 26 15.395 -10.890 2.702 1.00 0.00 H new ATOM 344 N CYS A 27 12.854 -8.902 3.114 1.00 0.00 N ATOM 345 CA CYS A 27 11.789 -8.182 2.424 1.00 0.00 C ATOM 346 C CYS A 27 12.307 -6.869 1.845 1.00 0.00 C ATOM 347 O CYS A 27 12.805 -6.012 2.575 1.00 0.00 O ATOM 348 CB CYS A 27 10.628 -7.908 3.381 1.00 0.00 C ATOM 349 SG CYS A 27 9.250 -7.009 2.632 1.00 0.00 S ATOM 0 H CYS A 27 12.704 -9.019 4.116 1.00 0.00 H new ATOM 0 HA CYS A 27 11.435 -8.806 1.603 1.00 0.00 H new ATOM 0 HB2 CYS A 27 10.260 -8.857 3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 27 11.000 -7.338 4.232 1.00 0.00 H new ATOM 0 HG CYS A 27 8.403 -7.856 2.127 1.00 0.00 H new ATOM 355 N SER A 28 12.186 -6.720 0.530 1.00 0.00 N ATOM 356 CA SER A 28 12.647 -5.513 -0.147 1.00 0.00 C ATOM 357 C SER A 28 11.645 -5.072 -1.210 1.00 0.00 C ATOM 358 O SER A 28 10.687 -5.784 -1.512 1.00 0.00 O ATOM 359 CB SER A 28 14.015 -5.753 -0.787 1.00 0.00 C ATOM 360 OG SER A 28 15.008 -5.977 0.199 1.00 0.00 O ATOM 0 H SER A 28 11.773 -7.419 -0.088 1.00 0.00 H new ATOM 0 HA SER A 28 12.736 -4.720 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 28 13.961 -6.612 -1.455 1.00 0.00 H new ATOM 0 HB3 SER A 28 14.291 -4.892 -1.396 1.00 0.00 H new ATOM 0 HG SER A 28 15.873 -6.129 -0.236 1.00 0.00 H new ATOM 366 N LYS A 29 11.875 -3.892 -1.776 1.00 0.00 N ATOM 367 CA LYS A 29 10.996 -3.353 -2.807 1.00 0.00 C ATOM 368 C LYS A 29 10.657 -4.419 -3.845 1.00 0.00 C ATOM 369 O LYS A 29 9.490 -4.640 -4.162 1.00 0.00 O ATOM 370 CB LYS A 29 11.654 -2.152 -3.491 1.00 0.00 C ATOM 371 CG LYS A 29 11.572 -0.871 -2.679 1.00 0.00 C ATOM 372 CD LYS A 29 12.937 -0.225 -2.516 1.00 0.00 C ATOM 373 CE LYS A 29 13.695 -0.813 -1.336 1.00 0.00 C ATOM 374 NZ LYS A 29 14.997 -0.124 -1.115 1.00 0.00 N ATOM 0 H LYS A 29 12.663 -3.290 -1.538 1.00 0.00 H new ATOM 0 HA LYS A 29 10.072 -3.030 -2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 29 12.701 -2.383 -3.685 1.00 0.00 H new ATOM 0 HB3 LYS A 29 11.179 -1.990 -4.459 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.894 -0.172 -3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 29 11.152 -1.088 -1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 29 13.517 -0.364 -3.428 1.00 0.00 H new ATOM 0 HD3 LYS A 29 12.818 0.849 -2.374 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.085 -0.734 -0.436 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.871 -1.875 -1.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.483 -0.553 -0.302 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 15.590 -0.221 -1.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.828 0.884 -0.924 1.00 0.00 H new ATOM 388 N GLU A 30 11.688 -5.077 -4.369 1.00 0.00 N ATOM 389 CA GLU A 30 11.497 -6.119 -5.370 1.00 0.00 C ATOM 390 C GLU A 30 10.282 -6.980 -5.035 1.00 0.00 C ATOM 391 O GLU A 30 9.540 -7.396 -5.925 1.00 0.00 O ATOM 392 CB GLU A 30 12.746 -6.997 -5.468 1.00 0.00 C ATOM 393 CG GLU A 30 13.565 -6.753 -6.724 1.00 0.00 C ATOM 394 CD GLU A 30 13.385 -7.847 -7.759 1.00 0.00 C ATOM 395 OE1 GLU A 30 13.080 -8.992 -7.366 1.00 0.00 O ATOM 396 OE2 GLU A 30 13.551 -7.555 -8.962 1.00 0.00 O ATOM 0 H GLU A 30 12.662 -4.907 -4.117 1.00 0.00 H new ATOM 0 HA GLU A 30 11.324 -5.636 -6.332 1.00 0.00 H new ATOM 0 HB2 GLU A 30 13.374 -6.819 -4.595 1.00 0.00 H new ATOM 0 HB3 GLU A 30 12.447 -8.045 -5.438 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.279 -5.795 -7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.619 -6.680 -6.457 1.00 0.00 H new ATOM 403 N GLU A 31 10.086 -7.242 -3.747 1.00 0.00 N ATOM 404 CA GLU A 31 8.962 -8.053 -3.295 1.00 0.00 C ATOM 405 C GLU A 31 7.720 -7.193 -3.081 1.00 0.00 C ATOM 406 O GLU A 31 6.599 -7.625 -3.348 1.00 0.00 O ATOM 407 CB GLU A 31 9.320 -8.782 -1.998 1.00 0.00 C ATOM 408 CG GLU A 31 10.094 -10.072 -2.218 1.00 0.00 C ATOM 409 CD GLU A 31 9.477 -11.253 -1.494 1.00 0.00 C ATOM 410 OE1 GLU A 31 9.724 -11.401 -0.279 1.00 0.00 O ATOM 411 OE2 GLU A 31 8.747 -12.031 -2.144 1.00 0.00 O ATOM 0 H GLU A 31 10.691 -6.905 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 31 8.744 -8.788 -4.069 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.911 -8.117 -1.368 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.403 -9.007 -1.453 1.00 0.00 H new ATOM 0 HG2 GLU A 31 10.138 -10.288 -3.286 1.00 0.00 H new ATOM 0 HG3 GLU A 31 11.121 -9.938 -1.878 1.00 0.00 H new ATOM 418 N ILE A 32 7.929 -5.972 -2.598 1.00 0.00 N ATOM 419 CA ILE A 32 6.828 -5.051 -2.350 1.00 0.00 C ATOM 420 C ILE A 32 6.167 -4.620 -3.654 1.00 0.00 C ATOM 421 O ILE A 32 4.999 -4.921 -3.900 1.00 0.00 O ATOM 422 CB ILE A 32 7.302 -3.798 -1.590 1.00 0.00 C ATOM 423 CG1 ILE A 32 7.904 -4.193 -0.239 1.00 0.00 C ATOM 424 CG2 ILE A 32 6.149 -2.826 -1.397 1.00 0.00 C ATOM 425 CD1 ILE A 32 8.511 -3.029 0.515 1.00 0.00 C ATOM 0 H ILE A 32 8.851 -5.599 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 32 6.102 -5.586 -1.737 1.00 0.00 H new ATOM 0 HB ILE A 32 8.073 -3.303 -2.181 1.00 0.00 H new ATOM 0 HG12 ILE A 32 7.128 -4.649 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 32 8.671 -4.951 -0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.501 -1.946 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.761 -2.525 -2.370 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.358 -3.309 -0.824 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.918 -3.382 1.462 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.309 -2.586 -0.081 1.00 0.00 H new ATOM 0 HD13 ILE A 32 7.743 -2.280 0.707 1.00 0.00 H new ATOM 437 N VAL A 33 6.923 -3.913 -4.490 1.00 0.00 N ATOM 438 CA VAL A 33 6.411 -3.443 -5.771 1.00 0.00 C ATOM 439 C VAL A 33 5.425 -4.440 -6.369 1.00 0.00 C ATOM 440 O VAL A 33 4.352 -4.060 -6.838 1.00 0.00 O ATOM 441 CB VAL A 33 7.553 -3.201 -6.776 1.00 0.00 C ATOM 442 CG1 VAL A 33 6.996 -2.977 -8.174 1.00 0.00 C ATOM 443 CG2 VAL A 33 8.406 -2.020 -6.338 1.00 0.00 C ATOM 0 H VAL A 33 7.891 -3.654 -4.302 1.00 0.00 H new ATOM 0 HA VAL A 33 5.898 -2.500 -5.580 1.00 0.00 H new ATOM 0 HB VAL A 33 8.186 -4.088 -6.801 1.00 0.00 H new ATOM 0 HG11 VAL A 33 7.817 -2.808 -8.870 1.00 0.00 H new ATOM 0 HG12 VAL A 33 6.431 -3.856 -8.486 1.00 0.00 H new ATOM 0 HG13 VAL A 33 6.340 -2.107 -8.169 1.00 0.00 H new ATOM 0 HG21 VAL A 33 9.208 -1.863 -7.059 1.00 0.00 H new ATOM 0 HG22 VAL A 33 7.787 -1.125 -6.283 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.835 -2.225 -5.357 1.00 0.00 H new ATOM 453 N GLN A 34 5.796 -5.715 -6.348 1.00 0.00 N ATOM 454 CA GLN A 34 4.943 -6.767 -6.889 1.00 0.00 C ATOM 455 C GLN A 34 3.774 -7.055 -5.952 1.00 0.00 C ATOM 456 O GLN A 34 2.643 -7.258 -6.398 1.00 0.00 O ATOM 457 CB GLN A 34 5.755 -8.044 -7.117 1.00 0.00 C ATOM 458 CG GLN A 34 6.207 -8.227 -8.556 1.00 0.00 C ATOM 459 CD GLN A 34 5.454 -9.332 -9.269 1.00 0.00 C ATOM 460 OE1 GLN A 34 5.215 -10.401 -8.706 1.00 0.00 O ATOM 461 NE2 GLN A 34 5.074 -9.081 -10.517 1.00 0.00 N ATOM 0 H GLN A 34 6.681 -6.045 -5.963 1.00 0.00 H new ATOM 0 HA GLN A 34 4.544 -6.422 -7.843 1.00 0.00 H new ATOM 0 HB2 GLN A 34 6.631 -8.028 -6.469 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.155 -8.904 -6.821 1.00 0.00 H new ATOM 0 HG2 GLN A 34 6.070 -7.291 -9.098 1.00 0.00 H new ATOM 0 HG3 GLN A 34 7.274 -8.451 -8.572 1.00 0.00 H new ATOM 0 HE21 GLN A 34 5.293 -8.182 -10.946 1.00 0.00 H new ATOM 0 HE22 GLN A 34 4.564 -9.788 -11.047 1.00 0.00 H new ATOM 470 N PHE A 35 4.053 -7.072 -4.653 1.00 0.00 N ATOM 471 CA PHE A 35 3.024 -7.337 -3.654 1.00 0.00 C ATOM 472 C PHE A 35 1.839 -6.391 -3.828 1.00 0.00 C ATOM 473 O PHE A 35 0.728 -6.681 -3.386 1.00 0.00 O ATOM 474 CB PHE A 35 3.603 -7.192 -2.244 1.00 0.00 C ATOM 475 CG PHE A 35 2.559 -6.973 -1.187 1.00 0.00 C ATOM 476 CD1 PHE A 35 1.840 -8.040 -0.673 1.00 0.00 C ATOM 477 CD2 PHE A 35 2.296 -5.700 -0.708 1.00 0.00 C ATOM 478 CE1 PHE A 35 0.880 -7.843 0.300 1.00 0.00 C ATOM 479 CE2 PHE A 35 1.336 -5.497 0.266 1.00 0.00 C ATOM 480 CZ PHE A 35 0.626 -6.569 0.769 1.00 0.00 C ATOM 0 H PHE A 35 4.983 -6.906 -4.267 1.00 0.00 H new ATOM 0 HA PHE A 35 2.673 -8.360 -3.793 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.173 -8.088 -2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.302 -6.356 -2.231 1.00 0.00 H new ATOM 0 HD1 PHE A 35 2.033 -9.038 -1.038 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.847 -4.857 -1.099 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.329 -8.684 0.694 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.142 -4.500 0.633 1.00 0.00 H new ATOM 0 HZ PHE A 35 -0.126 -6.412 1.528 1.00 0.00 H new ATOM 490 N PHE A 36 2.087 -5.258 -4.477 1.00 0.00 N ATOM 491 CA PHE A 36 1.042 -4.267 -4.710 1.00 0.00 C ATOM 492 C PHE A 36 0.639 -4.236 -6.181 1.00 0.00 C ATOM 493 O PHE A 36 0.277 -3.188 -6.715 1.00 0.00 O ATOM 494 CB PHE A 36 1.518 -2.880 -4.270 1.00 0.00 C ATOM 495 CG PHE A 36 1.437 -2.660 -2.787 1.00 0.00 C ATOM 496 CD1 PHE A 36 0.265 -2.923 -2.097 1.00 0.00 C ATOM 497 CD2 PHE A 36 2.534 -2.191 -2.082 1.00 0.00 C ATOM 498 CE1 PHE A 36 0.188 -2.721 -0.732 1.00 0.00 C ATOM 499 CE2 PHE A 36 2.464 -1.987 -0.717 1.00 0.00 C ATOM 500 CZ PHE A 36 1.289 -2.254 -0.041 1.00 0.00 C ATOM 0 H PHE A 36 3.001 -5.003 -4.851 1.00 0.00 H new ATOM 0 HA PHE A 36 0.170 -4.549 -4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.549 -2.739 -4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 36 0.919 -2.122 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.598 -3.290 -2.632 1.00 0.00 H new ATOM 0 HD2 PHE A 36 3.455 -1.982 -2.606 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -0.732 -2.928 -0.206 1.00 0.00 H new ATOM 0 HE2 PHE A 36 3.326 -1.620 -0.180 1.00 0.00 H new ATOM 0 HZ PHE A 36 1.231 -2.098 1.026 1.00 0.00 H new ATOM 510 N SER A 37 0.706 -5.395 -6.830 1.00 0.00 N ATOM 511 CA SER A 37 0.352 -5.501 -8.241 1.00 0.00 C ATOM 512 C SER A 37 -0.947 -4.756 -8.534 1.00 0.00 C ATOM 513 O SER A 37 -1.852 -4.715 -7.703 1.00 0.00 O ATOM 514 CB SER A 37 0.214 -6.970 -8.644 1.00 0.00 C ATOM 515 OG SER A 37 0.139 -7.108 -10.053 1.00 0.00 O ATOM 0 H SER A 37 1.002 -6.272 -6.402 1.00 0.00 H new ATOM 0 HA SER A 37 1.151 -5.045 -8.826 1.00 0.00 H new ATOM 0 HB2 SER A 37 1.065 -7.536 -8.265 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.680 -7.394 -8.186 1.00 0.00 H new ATOM 0 HG SER A 37 0.053 -8.056 -10.285 1.00 0.00 H new ATOM 521 N GLY A 38 -1.029 -4.167 -9.723 1.00 0.00 N ATOM 522 CA GLY A 38 -2.220 -3.431 -10.106 1.00 0.00 C ATOM 523 C GLY A 38 -2.199 -1.998 -9.612 1.00 0.00 C ATOM 524 O GLY A 38 -2.815 -1.118 -10.214 1.00 0.00 O ATOM 0 H GLY A 38 -0.292 -4.186 -10.428 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.313 -3.436 -11.192 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.100 -3.937 -9.708 1.00 0.00 H new ATOM 528 N LEU A 39 -1.491 -1.762 -8.514 1.00 0.00 N ATOM 529 CA LEU A 39 -1.394 -0.425 -7.937 1.00 0.00 C ATOM 530 C LEU A 39 -0.180 0.317 -8.487 1.00 0.00 C ATOM 531 O LEU A 39 0.803 -0.300 -8.895 1.00 0.00 O ATOM 532 CB LEU A 39 -1.307 -0.512 -6.413 1.00 0.00 C ATOM 533 CG LEU A 39 -2.417 -1.302 -5.721 1.00 0.00 C ATOM 534 CD1 LEU A 39 -1.860 -2.079 -4.537 1.00 0.00 C ATOM 535 CD2 LEU A 39 -3.535 -0.372 -5.272 1.00 0.00 C ATOM 0 H LEU A 39 -0.975 -2.479 -8.004 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.291 0.130 -8.212 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.350 -0.962 -6.149 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.305 0.501 -6.011 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.830 -2.014 -6.436 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.664 -2.636 -4.056 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.096 -2.774 -4.885 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.421 -1.385 -3.821 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -4.316 -0.953 -4.781 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.137 0.364 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -3.953 0.139 -6.139 1.00 0.00 H new ATOM 547 N GLU A 40 -0.256 1.643 -8.491 1.00 0.00 N ATOM 548 CA GLU A 40 0.837 2.470 -8.989 1.00 0.00 C ATOM 549 C GLU A 40 1.525 3.209 -7.844 1.00 0.00 C ATOM 550 O GLU A 40 0.884 3.951 -7.098 1.00 0.00 O ATOM 551 CB GLU A 40 0.320 3.473 -10.021 1.00 0.00 C ATOM 552 CG GLU A 40 1.148 4.744 -10.104 1.00 0.00 C ATOM 553 CD GLU A 40 0.633 5.709 -11.154 1.00 0.00 C ATOM 554 OE1 GLU A 40 -0.035 5.249 -12.104 1.00 0.00 O ATOM 555 OE2 GLU A 40 0.897 6.923 -11.026 1.00 0.00 O ATOM 0 H GLU A 40 -1.063 2.168 -8.155 1.00 0.00 H new ATOM 0 HA GLU A 40 1.566 1.814 -9.466 1.00 0.00 H new ATOM 0 HB2 GLU A 40 0.303 2.996 -11.001 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -0.709 3.735 -9.776 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.148 5.237 -9.132 1.00 0.00 H new ATOM 0 HG3 GLU A 40 2.182 4.485 -10.330 1.00 0.00 H new ATOM 562 N ILE A 41 2.831 3.003 -7.713 1.00 0.00 N ATOM 563 CA ILE A 41 3.604 3.650 -6.662 1.00 0.00 C ATOM 564 C ILE A 41 4.673 4.566 -7.248 1.00 0.00 C ATOM 565 O ILE A 41 5.182 4.321 -8.342 1.00 0.00 O ATOM 566 CB ILE A 41 4.281 2.615 -5.741 1.00 0.00 C ATOM 567 CG1 ILE A 41 3.276 1.540 -5.323 1.00 0.00 C ATOM 568 CG2 ILE A 41 4.872 3.300 -4.520 1.00 0.00 C ATOM 569 CD1 ILE A 41 3.920 0.214 -4.981 1.00 0.00 C ATOM 0 H ILE A 41 3.376 2.393 -8.322 1.00 0.00 H new ATOM 0 HA ILE A 41 2.902 4.243 -6.076 1.00 0.00 H new ATOM 0 HB ILE A 41 5.091 2.135 -6.290 1.00 0.00 H new ATOM 0 HG12 ILE A 41 2.713 1.895 -4.460 1.00 0.00 H new ATOM 0 HG13 ILE A 41 2.559 1.390 -6.130 1.00 0.00 H new ATOM 0 HG21 ILE A 41 5.346 2.556 -3.880 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.614 4.032 -4.837 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.080 3.803 -3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 41 3.149 -0.501 -4.693 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.459 -0.163 -5.850 1.00 0.00 H new ATOM 0 HD13 ILE A 41 4.616 0.350 -4.153 1.00 0.00 H new ATOM 581 N VAL A 42 5.008 5.622 -6.514 1.00 0.00 N ATOM 582 CA VAL A 42 6.017 6.574 -6.961 1.00 0.00 C ATOM 583 C VAL A 42 7.420 5.988 -6.832 1.00 0.00 C ATOM 584 O VAL A 42 7.684 5.124 -5.997 1.00 0.00 O ATOM 585 CB VAL A 42 5.946 7.886 -6.158 1.00 0.00 C ATOM 586 CG1 VAL A 42 4.656 8.631 -6.468 1.00 0.00 C ATOM 587 CG2 VAL A 42 6.064 7.607 -4.668 1.00 0.00 C ATOM 0 H VAL A 42 4.595 5.840 -5.607 1.00 0.00 H new ATOM 0 HA VAL A 42 5.809 6.787 -8.010 1.00 0.00 H new ATOM 0 HB VAL A 42 6.784 8.518 -6.453 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.622 9.556 -5.892 1.00 0.00 H new ATOM 0 HG12 VAL A 42 4.617 8.865 -7.532 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.803 8.007 -6.203 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.012 8.546 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.248 6.956 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 42 7.017 7.119 -4.464 1.00 0.00 H new ATOM 597 N PRO A 43 8.343 6.471 -7.678 1.00 0.00 N ATOM 598 CA PRO A 43 9.734 6.011 -7.677 1.00 0.00 C ATOM 599 C PRO A 43 10.495 6.464 -6.435 1.00 0.00 C ATOM 600 O PRO A 43 10.477 7.642 -6.081 1.00 0.00 O ATOM 601 CB PRO A 43 10.323 6.662 -8.931 1.00 0.00 C ATOM 602 CG PRO A 43 9.481 7.868 -9.164 1.00 0.00 C ATOM 603 CD PRO A 43 8.097 7.503 -8.699 1.00 0.00 C ATOM 0 HA PRO A 43 9.803 4.923 -7.671 1.00 0.00 H new ATOM 0 HB2 PRO A 43 11.369 6.932 -8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 43 10.287 5.983 -9.783 1.00 0.00 H new ATOM 0 HG2 PRO A 43 9.865 8.725 -8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 43 9.478 8.144 -10.218 1.00 0.00 H new ATOM 0 HD2 PRO A 43 7.573 8.363 -8.283 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.485 7.122 -9.517 1.00 0.00 H new ATOM 611 N ASN A 44 11.161 5.520 -5.779 1.00 0.00 N ATOM 612 CA ASN A 44 11.927 5.823 -4.575 1.00 0.00 C ATOM 613 C ASN A 44 11.012 6.308 -3.455 1.00 0.00 C ATOM 614 O ASN A 44 11.433 7.063 -2.579 1.00 0.00 O ATOM 615 CB ASN A 44 12.991 6.881 -4.876 1.00 0.00 C ATOM 616 CG ASN A 44 13.937 7.097 -3.710 1.00 0.00 C ATOM 617 OD1 ASN A 44 14.091 6.227 -2.853 1.00 0.00 O ATOM 618 ND2 ASN A 44 14.576 8.260 -3.675 1.00 0.00 N ATOM 0 H ASN A 44 11.186 4.540 -6.060 1.00 0.00 H new ATOM 0 HA ASN A 44 12.418 4.907 -4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 44 13.563 6.578 -5.753 1.00 0.00 H new ATOM 0 HB3 ASN A 44 12.503 7.823 -5.124 1.00 0.00 H new ATOM 0 HD21 ASN A 44 15.226 8.462 -2.915 1.00 0.00 H new ATOM 0 HD22 ASN A 44 14.417 8.952 -4.408 1.00 0.00 H new ATOM 625 N GLY A 45 9.757 5.870 -3.491 1.00 0.00 N ATOM 626 CA GLY A 45 8.803 6.270 -2.473 1.00 0.00 C ATOM 627 C GLY A 45 8.576 5.189 -1.435 1.00 0.00 C ATOM 628 O GLY A 45 7.472 5.046 -0.911 1.00 0.00 O ATOM 0 H GLY A 45 9.384 5.246 -4.206 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.160 7.174 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.854 6.520 -2.947 1.00 0.00 H new ATOM 632 N MET A 46 9.622 4.425 -1.139 1.00 0.00 N ATOM 633 CA MET A 46 9.531 3.353 -0.156 1.00 0.00 C ATOM 634 C MET A 46 10.666 3.446 0.858 1.00 0.00 C ATOM 635 O MET A 46 11.795 3.797 0.514 1.00 0.00 O ATOM 636 CB MET A 46 9.566 1.990 -0.853 1.00 0.00 C ATOM 637 CG MET A 46 8.271 1.640 -1.567 1.00 0.00 C ATOM 638 SD MET A 46 8.264 -0.047 -2.206 1.00 0.00 S ATOM 639 CE MET A 46 7.728 0.233 -3.893 1.00 0.00 C ATOM 0 H MET A 46 10.542 4.529 -1.566 1.00 0.00 H new ATOM 0 HA MET A 46 8.585 3.460 0.374 1.00 0.00 H new ATOM 0 HB2 MET A 46 10.383 1.981 -1.574 1.00 0.00 H new ATOM 0 HB3 MET A 46 9.784 1.219 -0.114 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.435 1.767 -0.879 1.00 0.00 H new ATOM 0 HG3 MET A 46 8.115 2.337 -2.390 1.00 0.00 H new ATOM 0 HE1 MET A 46 7.032 -0.552 -4.189 1.00 0.00 H new ATOM 0 HE2 MET A 46 7.233 1.202 -3.961 1.00 0.00 H new ATOM 0 HE3 MET A 46 8.593 0.220 -4.556 1.00 0.00 H new ATOM 649 N THR A 47 10.359 3.132 2.114 1.00 0.00 N ATOM 650 CA THR A 47 11.352 3.182 3.179 1.00 0.00 C ATOM 651 C THR A 47 11.385 1.875 3.962 1.00 0.00 C ATOM 652 O THR A 47 10.346 1.367 4.385 1.00 0.00 O ATOM 653 CB THR A 47 11.075 4.344 4.152 1.00 0.00 C ATOM 654 OG1 THR A 47 11.199 5.595 3.468 1.00 0.00 O ATOM 655 CG2 THR A 47 12.037 4.306 5.329 1.00 0.00 C ATOM 0 H THR A 47 9.430 2.840 2.417 1.00 0.00 H new ATOM 0 HA THR A 47 12.319 3.341 2.702 1.00 0.00 H new ATOM 0 HB THR A 47 10.059 4.237 4.531 1.00 0.00 H new ATOM 0 HG1 THR A 47 11.020 6.329 4.093 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.822 5.136 6.002 1.00 0.00 H new ATOM 0 HG22 THR A 47 11.919 3.364 5.865 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.061 4.390 4.965 1.00 0.00 H new ATOM 663 N LEU A 48 12.584 1.335 4.153 1.00 0.00 N ATOM 664 CA LEU A 48 12.752 0.086 4.889 1.00 0.00 C ATOM 665 C LEU A 48 13.865 0.209 5.924 1.00 0.00 C ATOM 666 O LEU A 48 15.043 0.006 5.633 1.00 0.00 O ATOM 667 CB LEU A 48 13.064 -1.058 3.922 1.00 0.00 C ATOM 668 CG LEU A 48 11.870 -1.904 3.477 1.00 0.00 C ATOM 669 CD1 LEU A 48 11.680 -1.808 1.971 1.00 0.00 C ATOM 670 CD2 LEU A 48 12.055 -3.354 3.902 1.00 0.00 C ATOM 0 H LEU A 48 13.454 1.742 3.809 1.00 0.00 H new ATOM 0 HA LEU A 48 11.819 -0.129 5.410 1.00 0.00 H new ATOM 0 HB2 LEU A 48 13.537 -0.638 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.795 -1.716 4.392 1.00 0.00 H new ATOM 0 HG LEU A 48 10.974 -1.516 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 48 10.826 -2.416 1.672 1.00 0.00 H new ATOM 0 HD12 LEU A 48 11.501 -0.770 1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 48 12.577 -2.169 1.467 1.00 0.00 H new ATOM 0 HD21 LEU A 48 11.196 -3.941 3.577 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.961 -3.754 3.447 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.141 -3.407 4.987 1.00 0.00 H new ATOM 682 N PRO A 49 13.484 0.549 7.164 1.00 0.00 N ATOM 683 CA PRO A 49 14.434 0.705 8.270 1.00 0.00 C ATOM 684 C PRO A 49 15.031 -0.627 8.713 1.00 0.00 C ATOM 685 O PRO A 49 14.638 -1.688 8.226 1.00 0.00 O ATOM 686 CB PRO A 49 13.580 1.306 9.390 1.00 0.00 C ATOM 687 CG PRO A 49 12.190 0.867 9.084 1.00 0.00 C ATOM 688 CD PRO A 49 12.095 0.807 7.584 1.00 0.00 C ATOM 0 HA PRO A 49 15.288 1.321 7.989 1.00 0.00 H new ATOM 0 HB2 PRO A 49 13.902 0.949 10.368 1.00 0.00 H new ATOM 0 HB3 PRO A 49 13.657 2.393 9.407 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.982 -0.107 9.527 1.00 0.00 H new ATOM 0 HG3 PRO A 49 11.461 1.566 9.494 1.00 0.00 H new ATOM 0 HD2 PRO A 49 11.422 0.015 7.255 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.716 1.740 7.168 1.00 0.00 H new ATOM 696 N VAL A 50 15.984 -0.565 9.638 1.00 0.00 N ATOM 697 CA VAL A 50 16.633 -1.766 10.147 1.00 0.00 C ATOM 698 C VAL A 50 17.046 -1.592 11.605 1.00 0.00 C ATOM 699 O VAL A 50 16.846 -0.530 12.195 1.00 0.00 O ATOM 700 CB VAL A 50 17.877 -2.128 9.313 1.00 0.00 C ATOM 701 CG1 VAL A 50 17.470 -2.637 7.939 1.00 0.00 C ATOM 702 CG2 VAL A 50 18.805 -0.928 9.194 1.00 0.00 C ATOM 0 H VAL A 50 16.323 0.304 10.050 1.00 0.00 H new ATOM 0 HA VAL A 50 15.906 -2.575 10.072 1.00 0.00 H new ATOM 0 HB VAL A 50 18.416 -2.926 9.823 1.00 0.00 H new ATOM 0 HG11 VAL A 50 18.362 -2.887 7.365 1.00 0.00 H new ATOM 0 HG12 VAL A 50 16.848 -3.525 8.050 1.00 0.00 H new ATOM 0 HG13 VAL A 50 16.907 -1.863 7.416 1.00 0.00 H new ATOM 0 HG21 VAL A 50 19.679 -1.201 8.602 1.00 0.00 H new ATOM 0 HG22 VAL A 50 18.278 -0.108 8.707 1.00 0.00 H new ATOM 0 HG23 VAL A 50 19.124 -0.615 10.188 1.00 0.00 H new ATOM 803 N THR A 57 13.463 -4.515 10.439 1.00 0.00 N ATOM 804 CA THR A 57 12.594 -4.419 11.606 1.00 0.00 C ATOM 805 C THR A 57 11.165 -4.823 11.263 1.00 0.00 C ATOM 806 O THR A 57 10.220 -4.439 11.949 1.00 0.00 O ATOM 807 CB THR A 57 12.587 -2.992 12.185 1.00 0.00 C ATOM 808 OG1 THR A 57 12.004 -2.084 11.244 1.00 0.00 O ATOM 809 CG2 THR A 57 14.000 -2.539 12.525 1.00 0.00 C ATOM 0 HA THR A 57 12.993 -5.105 12.354 1.00 0.00 H new ATOM 0 HB THR A 57 11.994 -2.998 13.099 1.00 0.00 H new ATOM 0 HG1 THR A 57 12.187 -2.395 10.333 1.00 0.00 H new ATOM 0 HG21 THR A 57 13.970 -1.528 12.932 1.00 0.00 H new ATOM 0 HG22 THR A 57 14.431 -3.215 13.263 1.00 0.00 H new ATOM 0 HG23 THR A 57 14.612 -2.549 11.623 1.00 0.00 H new ATOM 817 N GLY A 58 11.016 -5.601 10.195 1.00 0.00 N ATOM 818 CA GLY A 58 9.697 -6.044 9.779 1.00 0.00 C ATOM 819 C GLY A 58 8.744 -4.889 9.545 1.00 0.00 C ATOM 820 O GLY A 58 7.527 -5.063 9.585 1.00 0.00 O ATOM 0 H GLY A 58 11.784 -5.932 9.611 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.786 -6.629 8.863 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.282 -6.705 10.540 1.00 0.00 H new ATOM 824 N GLU A 59 9.300 -3.706 9.300 1.00 0.00 N ATOM 825 CA GLU A 59 8.489 -2.517 9.060 1.00 0.00 C ATOM 826 C GLU A 59 8.938 -1.800 7.790 1.00 0.00 C ATOM 827 O GLU A 59 10.110 -1.847 7.419 1.00 0.00 O ATOM 828 CB GLU A 59 8.575 -1.565 10.255 1.00 0.00 C ATOM 829 CG GLU A 59 7.792 -2.037 11.468 1.00 0.00 C ATOM 830 CD GLU A 59 8.274 -1.403 12.757 1.00 0.00 C ATOM 831 OE1 GLU A 59 8.685 -0.223 12.721 1.00 0.00 O ATOM 832 OE2 GLU A 59 8.242 -2.085 13.803 1.00 0.00 O ATOM 0 H GLU A 59 10.307 -3.545 9.263 1.00 0.00 H new ATOM 0 HA GLU A 59 7.454 -2.833 8.931 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.621 -1.440 10.535 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.206 -0.584 9.954 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.736 -1.806 11.327 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.873 -3.121 11.548 1.00 0.00 H new ATOM 839 N ALA A 60 7.996 -1.136 7.128 1.00 0.00 N ATOM 840 CA ALA A 60 8.294 -0.408 5.901 1.00 0.00 C ATOM 841 C ALA A 60 7.228 0.646 5.616 1.00 0.00 C ATOM 842 O ALA A 60 6.104 0.555 6.109 1.00 0.00 O ATOM 843 CB ALA A 60 8.411 -1.372 4.730 1.00 0.00 C ATOM 0 H ALA A 60 7.020 -1.087 7.421 1.00 0.00 H new ATOM 0 HA ALA A 60 9.248 0.103 6.033 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.634 -0.814 3.820 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.213 -2.085 4.924 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.471 -1.909 4.605 1.00 0.00 H new ATOM 849 N PHE A 61 7.590 1.645 4.818 1.00 0.00 N ATOM 850 CA PHE A 61 6.666 2.718 4.469 1.00 0.00 C ATOM 851 C PHE A 61 6.639 2.942 2.960 1.00 0.00 C ATOM 852 O PHE A 61 7.655 3.281 2.354 1.00 0.00 O ATOM 853 CB PHE A 61 7.061 4.012 5.183 1.00 0.00 C ATOM 854 CG PHE A 61 6.987 3.918 6.680 1.00 0.00 C ATOM 855 CD1 PHE A 61 5.776 4.067 7.337 1.00 0.00 C ATOM 856 CD2 PHE A 61 8.128 3.682 7.430 1.00 0.00 C ATOM 857 CE1 PHE A 61 5.705 3.981 8.715 1.00 0.00 C ATOM 858 CE2 PHE A 61 8.063 3.595 8.808 1.00 0.00 C ATOM 859 CZ PHE A 61 6.851 3.744 9.451 1.00 0.00 C ATOM 0 H PHE A 61 8.517 1.734 4.401 1.00 0.00 H new ATOM 0 HA PHE A 61 5.667 2.424 4.792 1.00 0.00 H new ATOM 0 HB2 PHE A 61 8.077 4.281 4.894 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.409 4.817 4.845 1.00 0.00 H new ATOM 0 HD1 PHE A 61 4.878 4.252 6.766 1.00 0.00 H new ATOM 0 HD2 PHE A 61 9.079 3.565 6.932 1.00 0.00 H new ATOM 0 HE1 PHE A 61 4.755 4.099 9.216 1.00 0.00 H new ATOM 0 HE2 PHE A 61 8.960 3.411 9.381 1.00 0.00 H new ATOM 0 HZ PHE A 61 6.798 3.676 10.528 1.00 0.00 H new ATOM 869 N VAL A 62 5.468 2.752 2.361 1.00 0.00 N ATOM 870 CA VAL A 62 5.307 2.935 0.923 1.00 0.00 C ATOM 871 C VAL A 62 4.477 4.176 0.616 1.00 0.00 C ATOM 872 O VAL A 62 3.556 4.517 1.357 1.00 0.00 O ATOM 873 CB VAL A 62 4.637 1.709 0.274 1.00 0.00 C ATOM 874 CG1 VAL A 62 4.580 1.869 -1.238 1.00 0.00 C ATOM 875 CG2 VAL A 62 5.372 0.434 0.656 1.00 0.00 C ATOM 0 H VAL A 62 4.617 2.472 2.849 1.00 0.00 H new ATOM 0 HA VAL A 62 6.306 3.058 0.505 1.00 0.00 H new ATOM 0 HB VAL A 62 3.615 1.637 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.104 0.993 -1.679 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.004 2.760 -1.488 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.592 1.968 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.884 -0.421 0.188 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.405 0.494 0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 62 5.354 0.314 1.739 1.00 0.00 H new ATOM 885 N GLN A 63 4.811 4.847 -0.482 1.00 0.00 N ATOM 886 CA GLN A 63 4.097 6.052 -0.886 1.00 0.00 C ATOM 887 C GLN A 63 3.412 5.852 -2.234 1.00 0.00 C ATOM 888 O GLN A 63 4.069 5.791 -3.273 1.00 0.00 O ATOM 889 CB GLN A 63 5.058 7.240 -0.960 1.00 0.00 C ATOM 890 CG GLN A 63 4.367 8.564 -1.244 1.00 0.00 C ATOM 891 CD GLN A 63 5.312 9.747 -1.155 1.00 0.00 C ATOM 892 OE1 GLN A 63 4.986 10.772 -0.557 1.00 0.00 O ATOM 893 NE2 GLN A 63 6.491 9.608 -1.751 1.00 0.00 N ATOM 0 H GLN A 63 5.571 4.577 -1.107 1.00 0.00 H new ATOM 0 HA GLN A 63 3.332 6.259 -0.137 1.00 0.00 H new ATOM 0 HB2 GLN A 63 5.600 7.317 -0.018 1.00 0.00 H new ATOM 0 HB3 GLN A 63 5.797 7.051 -1.738 1.00 0.00 H new ATOM 0 HG2 GLN A 63 3.924 8.532 -2.239 1.00 0.00 H new ATOM 0 HG3 GLN A 63 3.550 8.702 -0.536 1.00 0.00 H new ATOM 0 HE21 GLN A 63 6.718 8.740 -2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 63 7.169 10.370 -1.724 1.00 0.00 H new ATOM 902 N PHE A 64 2.087 5.749 -2.210 1.00 0.00 N ATOM 903 CA PHE A 64 1.313 5.554 -3.430 1.00 0.00 C ATOM 904 C PHE A 64 1.168 6.865 -4.198 1.00 0.00 C ATOM 905 O PHE A 64 1.243 7.948 -3.618 1.00 0.00 O ATOM 906 CB PHE A 64 -0.070 4.990 -3.098 1.00 0.00 C ATOM 907 CG PHE A 64 -0.052 3.532 -2.737 1.00 0.00 C ATOM 908 CD1 PHE A 64 0.093 2.565 -3.720 1.00 0.00 C ATOM 909 CD2 PHE A 64 -0.180 3.129 -1.419 1.00 0.00 C ATOM 910 CE1 PHE A 64 0.110 1.222 -3.391 1.00 0.00 C ATOM 911 CE2 PHE A 64 -0.164 1.788 -1.084 1.00 0.00 C ATOM 912 CZ PHE A 64 -0.018 0.833 -2.072 1.00 0.00 C ATOM 0 H PHE A 64 1.527 5.797 -1.359 1.00 0.00 H new ATOM 0 HA PHE A 64 1.847 4.842 -4.059 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -0.495 5.556 -2.269 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -0.728 5.136 -3.954 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.194 2.864 -4.753 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -0.294 3.871 -0.643 1.00 0.00 H new ATOM 0 HE1 PHE A 64 0.223 0.478 -4.165 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -0.265 1.487 -0.052 1.00 0.00 H new ATOM 0 HZ PHE A 64 -0.004 -0.215 -1.813 1.00 0.00 H new ATOM 922 N ALA A 65 0.962 6.758 -5.507 1.00 0.00 N ATOM 923 CA ALA A 65 0.806 7.933 -6.353 1.00 0.00 C ATOM 924 C ALA A 65 -0.218 8.900 -5.770 1.00 0.00 C ATOM 925 O ALA A 65 -0.114 10.113 -5.949 1.00 0.00 O ATOM 926 CB ALA A 65 0.400 7.519 -7.761 1.00 0.00 C ATOM 0 H ALA A 65 0.899 5.869 -6.003 1.00 0.00 H new ATOM 0 HA ALA A 65 1.766 8.446 -6.398 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.287 8.407 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.169 6.874 -8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.546 6.980 -7.723 1.00 0.00 H new ATOM 932 N SER A 66 -1.208 8.354 -5.069 1.00 0.00 N ATOM 933 CA SER A 66 -2.254 9.168 -4.462 1.00 0.00 C ATOM 934 C SER A 66 -3.094 8.340 -3.494 1.00 0.00 C ATOM 935 O SER A 66 -3.023 7.110 -3.490 1.00 0.00 O ATOM 936 CB SER A 66 -3.151 9.774 -5.544 1.00 0.00 C ATOM 937 OG SER A 66 -3.605 11.063 -5.167 1.00 0.00 O ATOM 0 H SER A 66 -1.307 7.352 -4.908 1.00 0.00 H new ATOM 0 HA SER A 66 -1.776 9.973 -3.904 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.601 9.839 -6.483 1.00 0.00 H new ATOM 0 HB3 SER A 66 -4.006 9.121 -5.720 1.00 0.00 H new ATOM 0 HG SER A 66 -4.175 11.429 -5.875 1.00 0.00 H new ATOM 943 N GLN A 67 -3.888 9.023 -2.676 1.00 0.00 N ATOM 944 CA GLN A 67 -4.741 8.350 -1.702 1.00 0.00 C ATOM 945 C GLN A 67 -5.604 7.289 -2.376 1.00 0.00 C ATOM 946 O GLN A 67 -5.686 6.154 -1.909 1.00 0.00 O ATOM 947 CB GLN A 67 -5.630 9.367 -0.984 1.00 0.00 C ATOM 948 CG GLN A 67 -6.155 8.876 0.355 1.00 0.00 C ATOM 949 CD GLN A 67 -7.600 8.425 0.287 1.00 0.00 C ATOM 950 OE1 GLN A 67 -8.246 8.529 -0.757 1.00 0.00 O ATOM 951 NE2 GLN A 67 -8.117 7.918 1.400 1.00 0.00 N ATOM 0 H GLN A 67 -3.959 10.041 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 67 -4.099 7.859 -0.971 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.065 10.286 -0.829 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.474 9.617 -1.627 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.536 8.048 0.702 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -6.062 9.674 1.092 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.546 7.850 2.243 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.085 7.596 1.412 1.00 0.00 H new ATOM 960 N GLU A 68 -6.247 7.667 -3.477 1.00 0.00 N ATOM 961 CA GLU A 68 -7.105 6.746 -4.215 1.00 0.00 C ATOM 962 C GLU A 68 -6.435 5.385 -4.371 1.00 0.00 C ATOM 963 O GLU A 68 -7.093 4.346 -4.298 1.00 0.00 O ATOM 964 CB GLU A 68 -7.443 7.321 -5.591 1.00 0.00 C ATOM 965 CG GLU A 68 -6.234 7.857 -6.341 1.00 0.00 C ATOM 966 CD GLU A 68 -6.465 7.939 -7.838 1.00 0.00 C ATOM 967 OE1 GLU A 68 -7.052 8.943 -8.293 1.00 0.00 O ATOM 968 OE2 GLU A 68 -6.059 7.000 -8.553 1.00 0.00 O ATOM 0 H GLU A 68 -6.190 8.603 -3.877 1.00 0.00 H new ATOM 0 HA GLU A 68 -8.026 6.615 -3.648 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -7.919 6.546 -6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -8.171 8.124 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.985 8.848 -5.961 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.375 7.215 -6.144 1.00 0.00 H new ATOM 975 N ILE A 69 -5.124 5.398 -4.585 1.00 0.00 N ATOM 976 CA ILE A 69 -4.365 4.164 -4.750 1.00 0.00 C ATOM 977 C ILE A 69 -3.996 3.560 -3.400 1.00 0.00 C ATOM 978 O ILE A 69 -3.832 2.347 -3.275 1.00 0.00 O ATOM 979 CB ILE A 69 -3.077 4.400 -5.563 1.00 0.00 C ATOM 980 CG1 ILE A 69 -3.420 4.907 -6.965 1.00 0.00 C ATOM 981 CG2 ILE A 69 -2.259 3.120 -5.642 1.00 0.00 C ATOM 982 CD1 ILE A 69 -2.204 5.279 -7.787 1.00 0.00 C ATOM 0 H ILE A 69 -4.565 6.249 -4.648 1.00 0.00 H new ATOM 0 HA ILE A 69 -5.006 3.470 -5.293 1.00 0.00 H new ATOM 0 HB ILE A 69 -2.479 5.159 -5.058 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -3.984 4.138 -7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -4.071 5.777 -6.879 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -1.353 3.303 -6.219 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.990 2.797 -4.636 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -2.848 2.341 -6.127 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.522 5.630 -8.769 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -1.651 6.070 -7.281 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.563 4.405 -7.904 1.00 0.00 H new ATOM 994 N ALA A 70 -3.871 4.415 -2.390 1.00 0.00 N ATOM 995 CA ALA A 70 -3.526 3.965 -1.047 1.00 0.00 C ATOM 996 C ALA A 70 -4.607 3.053 -0.479 1.00 0.00 C ATOM 997 O ALA A 70 -4.312 1.984 0.055 1.00 0.00 O ATOM 998 CB ALA A 70 -3.305 5.160 -0.130 1.00 0.00 C ATOM 0 H ALA A 70 -4.003 5.423 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.600 3.393 -1.109 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -3.048 4.809 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.492 5.772 -0.520 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -4.217 5.755 -0.082 1.00 0.00 H new ATOM 1004 N GLU A 71 -5.859 3.483 -0.597 1.00 0.00 N ATOM 1005 CA GLU A 71 -6.985 2.703 -0.093 1.00 0.00 C ATOM 1006 C GLU A 71 -6.994 1.305 -0.704 1.00 0.00 C ATOM 1007 O GLU A 71 -7.138 0.306 0.003 1.00 0.00 O ATOM 1008 CB GLU A 71 -8.305 3.414 -0.400 1.00 0.00 C ATOM 1009 CG GLU A 71 -8.669 4.483 0.618 1.00 0.00 C ATOM 1010 CD GLU A 71 -10.133 4.438 1.010 1.00 0.00 C ATOM 1011 OE1 GLU A 71 -10.970 4.961 0.245 1.00 0.00 O ATOM 1012 OE2 GLU A 71 -10.443 3.879 2.083 1.00 0.00 O ATOM 0 H GLU A 71 -6.120 4.366 -1.036 1.00 0.00 H new ATOM 0 HA GLU A 71 -6.874 2.609 0.987 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -8.241 3.871 -1.388 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -9.105 2.675 -0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.054 4.356 1.509 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -8.436 5.465 0.207 1.00 0.00 H new ATOM 1019 N LYS A 72 -6.842 1.240 -2.022 1.00 0.00 N ATOM 1020 CA LYS A 72 -6.833 -0.035 -2.730 1.00 0.00 C ATOM 1021 C LYS A 72 -5.817 -0.992 -2.115 1.00 0.00 C ATOM 1022 O LYS A 72 -6.015 -2.206 -2.115 1.00 0.00 O ATOM 1023 CB LYS A 72 -6.512 0.183 -4.210 1.00 0.00 C ATOM 1024 CG LYS A 72 -7.488 1.112 -4.913 1.00 0.00 C ATOM 1025 CD LYS A 72 -7.534 0.843 -6.408 1.00 0.00 C ATOM 1026 CE LYS A 72 -6.518 1.689 -7.159 1.00 0.00 C ATOM 1027 NZ LYS A 72 -6.028 1.007 -8.389 1.00 0.00 N ATOM 0 H LYS A 72 -6.723 2.056 -2.622 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.825 -0.479 -2.640 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -5.506 0.592 -4.299 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -6.510 -0.781 -4.719 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.484 0.984 -4.488 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -7.197 2.148 -4.737 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.339 -0.213 -6.595 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.534 1.054 -6.786 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.969 2.644 -7.429 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.674 1.909 -6.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -5.337 1.616 -8.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -5.575 0.108 -8.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.829 0.820 -9.025 1.00 0.00 H new ATOM 1041 N ALA A 73 -4.730 -0.436 -1.590 1.00 0.00 N ATOM 1042 CA ALA A 73 -3.685 -1.239 -0.968 1.00 0.00 C ATOM 1043 C ALA A 73 -4.055 -1.608 0.464 1.00 0.00 C ATOM 1044 O ALA A 73 -3.673 -2.669 0.961 1.00 0.00 O ATOM 1045 CB ALA A 73 -2.358 -0.495 -0.998 1.00 0.00 C ATOM 0 H ALA A 73 -4.550 0.568 -1.583 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.583 -2.162 -1.538 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -1.587 -1.107 -0.530 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.080 -0.289 -2.032 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -2.455 0.445 -0.454 1.00 0.00 H new ATOM 1051 N LEU A 74 -4.799 -0.727 1.123 1.00 0.00 N ATOM 1052 CA LEU A 74 -5.221 -0.960 2.500 1.00 0.00 C ATOM 1053 C LEU A 74 -5.955 -2.292 2.627 1.00 0.00 C ATOM 1054 O LEU A 74 -5.737 -3.045 3.577 1.00 0.00 O ATOM 1055 CB LEU A 74 -6.123 0.180 2.978 1.00 0.00 C ATOM 1056 CG LEU A 74 -5.432 1.300 3.757 1.00 0.00 C ATOM 1057 CD1 LEU A 74 -6.421 2.405 4.093 1.00 0.00 C ATOM 1058 CD2 LEU A 74 -4.790 0.752 5.023 1.00 0.00 C ATOM 0 H LEU A 74 -5.123 0.155 0.726 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.329 -0.996 3.126 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.613 0.618 2.108 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.907 -0.243 3.606 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.647 1.722 3.130 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.911 3.193 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.833 2.817 3.172 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -7.229 1.998 4.701 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -4.303 1.563 5.564 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -5.556 0.303 5.655 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -4.050 -0.003 4.758 1.00 0.00 H new ATOM 1070 N LYS A 75 -6.824 -2.576 1.664 1.00 0.00 N ATOM 1071 CA LYS A 75 -7.589 -3.817 1.664 1.00 0.00 C ATOM 1072 C LYS A 75 -6.660 -5.028 1.665 1.00 0.00 C ATOM 1073 O LYS A 75 -7.076 -6.141 1.986 1.00 0.00 O ATOM 1074 CB LYS A 75 -8.515 -3.871 0.447 1.00 0.00 C ATOM 1075 CG LYS A 75 -9.531 -2.743 0.406 1.00 0.00 C ATOM 1076 CD LYS A 75 -10.890 -3.196 0.911 1.00 0.00 C ATOM 1077 CE LYS A 75 -12.018 -2.428 0.242 1.00 0.00 C ATOM 1078 NZ LYS A 75 -13.153 -3.319 -0.127 1.00 0.00 N ATOM 0 H LYS A 75 -7.017 -1.963 0.872 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.192 -3.843 2.571 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.911 -3.838 -0.460 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.043 -4.825 0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.176 -1.910 1.013 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -9.626 -2.375 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.012 -4.262 0.722 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.943 -3.056 1.991 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.373 -1.646 0.913 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.640 -1.932 -0.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -13.902 -2.758 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -12.820 -4.050 -0.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -13.531 -3.773 0.729 1.00 0.00 H new ATOM 1092 N LYS A 76 -5.402 -4.802 1.302 1.00 0.00 N ATOM 1093 CA LYS A 76 -4.414 -5.873 1.263 1.00 0.00 C ATOM 1094 C LYS A 76 -3.785 -6.084 2.637 1.00 0.00 C ATOM 1095 O LYS A 76 -2.620 -6.469 2.745 1.00 0.00 O ATOM 1096 CB LYS A 76 -3.325 -5.553 0.236 1.00 0.00 C ATOM 1097 CG LYS A 76 -3.868 -5.230 -1.145 1.00 0.00 C ATOM 1098 CD LYS A 76 -2.789 -4.657 -2.049 1.00 0.00 C ATOM 1099 CE LYS A 76 -1.894 -5.751 -2.611 1.00 0.00 C ATOM 1100 NZ LYS A 76 -2.170 -6.006 -4.052 1.00 0.00 N ATOM 0 H LYS A 76 -5.043 -3.887 1.031 1.00 0.00 H new ATOM 0 HA LYS A 76 -4.923 -6.792 0.971 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -2.738 -4.707 0.593 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -2.647 -6.403 0.161 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -4.279 -6.133 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -4.687 -4.516 -1.057 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.253 -4.108 -2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -2.185 -3.943 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.849 -5.466 -2.486 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -2.044 -6.670 -2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -1.368 -6.516 -4.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -3.032 -6.580 -4.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -2.303 -5.100 -4.546 1.00 0.00 H new ATOM 1114 N HIS A 77 -4.564 -5.832 3.684 1.00 0.00 N ATOM 1115 CA HIS A 77 -4.083 -5.997 5.051 1.00 0.00 C ATOM 1116 C HIS A 77 -4.006 -7.474 5.426 1.00 0.00 C ATOM 1117 O HIS A 77 -4.773 -8.294 4.921 1.00 0.00 O ATOM 1118 CB HIS A 77 -4.998 -5.259 6.028 1.00 0.00 C ATOM 1119 CG HIS A 77 -4.877 -5.738 7.442 1.00 0.00 C ATOM 1120 ND1 HIS A 77 -4.058 -5.136 8.374 1.00 0.00 N ATOM 1121 CD2 HIS A 77 -5.478 -6.769 8.082 1.00 0.00 C ATOM 1122 CE1 HIS A 77 -4.160 -5.776 9.525 1.00 0.00 C ATOM 1123 NE2 HIS A 77 -5.015 -6.770 9.375 1.00 0.00 N ATOM 0 H HIS A 77 -5.530 -5.513 3.612 1.00 0.00 H new ATOM 0 HA HIS A 77 -3.081 -5.572 5.111 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -4.769 -4.194 5.993 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -6.032 -5.374 5.702 1.00 0.00 H new ATOM 0 HD1 HIS A 77 -3.466 -4.323 8.202 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -6.189 -7.461 7.655 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.633 -5.528 10.435 1.00 0.00 H new ATOM 1131 N LYS A 78 -3.074 -7.806 6.312 1.00 0.00 N ATOM 1132 CA LYS A 78 -2.895 -9.184 6.754 1.00 0.00 C ATOM 1133 C LYS A 78 -2.442 -10.073 5.600 1.00 0.00 C ATOM 1134 O LYS A 78 -2.353 -11.292 5.742 1.00 0.00 O ATOM 1135 CB LYS A 78 -4.199 -9.724 7.346 1.00 0.00 C ATOM 1136 CG LYS A 78 -4.181 -9.831 8.862 1.00 0.00 C ATOM 1137 CD LYS A 78 -3.118 -10.807 9.339 1.00 0.00 C ATOM 1138 CE LYS A 78 -3.214 -11.046 10.838 1.00 0.00 C ATOM 1139 NZ LYS A 78 -1.909 -10.825 11.519 1.00 0.00 N ATOM 0 H LYS A 78 -2.430 -7.140 6.739 1.00 0.00 H new ATOM 0 HA LYS A 78 -2.121 -9.195 7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.021 -9.074 7.046 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.400 -10.708 6.923 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.995 -8.848 9.295 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.159 -10.155 9.217 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -3.228 -11.754 8.811 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.129 -10.419 9.094 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.964 -10.380 11.265 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.552 -12.066 11.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.069 -10.679 12.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -1.300 -11.656 11.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.445 -9.985 11.117 1.00 0.00 H new ATOM 1153 N GLU A 79 -2.156 -9.452 4.460 1.00 0.00 N ATOM 1154 CA GLU A 79 -1.711 -10.188 3.282 1.00 0.00 C ATOM 1155 C GLU A 79 -0.288 -10.707 3.469 1.00 0.00 C ATOM 1156 O GLU A 79 0.663 -9.928 3.535 1.00 0.00 O ATOM 1157 CB GLU A 79 -1.782 -9.298 2.040 1.00 0.00 C ATOM 1158 CG GLU A 79 -3.200 -9.015 1.574 1.00 0.00 C ATOM 1159 CD GLU A 79 -3.838 -10.209 0.889 1.00 0.00 C ATOM 1160 OE1 GLU A 79 -3.471 -11.353 1.226 1.00 0.00 O ATOM 1161 OE2 GLU A 79 -4.706 -9.996 0.016 1.00 0.00 O ATOM 0 H GLU A 79 -2.224 -8.443 4.327 1.00 0.00 H new ATOM 0 HA GLU A 79 -2.375 -11.042 3.147 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -1.283 -8.353 2.252 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.231 -9.775 1.230 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.809 -8.724 2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.191 -8.169 0.887 1.00 0.00 H new ATOM 1168 N ARG A 80 -0.151 -12.026 3.555 1.00 0.00 N ATOM 1169 CA ARG A 80 1.155 -12.648 3.736 1.00 0.00 C ATOM 1170 C ARG A 80 1.901 -12.743 2.409 1.00 0.00 C ATOM 1171 O ARG A 80 1.294 -12.954 1.358 1.00 0.00 O ATOM 1172 CB ARG A 80 0.999 -14.043 4.348 1.00 0.00 C ATOM 1173 CG ARG A 80 0.283 -15.028 3.439 1.00 0.00 C ATOM 1174 CD ARG A 80 1.237 -16.080 2.897 1.00 0.00 C ATOM 1175 NE ARG A 80 0.675 -16.793 1.752 1.00 0.00 N ATOM 1176 CZ ARG A 80 1.295 -17.788 1.129 1.00 0.00 C ATOM 1177 NH1 ARG A 80 2.491 -18.188 1.538 1.00 0.00 N ATOM 1178 NH2 ARG A 80 0.718 -18.386 0.094 1.00 0.00 N ATOM 0 H ARG A 80 -0.928 -12.684 3.502 1.00 0.00 H new ATOM 0 HA ARG A 80 1.736 -12.024 4.415 1.00 0.00 H new ATOM 0 HB2 ARG A 80 1.986 -14.437 4.591 1.00 0.00 H new ATOM 0 HB3 ARG A 80 0.449 -13.960 5.285 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -0.522 -15.514 3.990 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -0.178 -14.491 2.610 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.173 -15.604 2.604 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.476 -16.793 3.686 1.00 0.00 H new ATOM 0 HE ARG A 80 -0.245 -16.511 1.413 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.937 -17.731 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 80 2.965 -18.953 1.057 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -0.202 -18.081 -0.223 1.00 0.00 H new ATOM 0 HH22 ARG A 80 1.195 -19.150 -0.384 1.00 0.00 H new ATOM 1192 N ILE A 81 3.219 -12.587 2.465 1.00 0.00 N ATOM 1193 CA ILE A 81 4.047 -12.655 1.266 1.00 0.00 C ATOM 1194 C ILE A 81 5.022 -13.826 1.339 1.00 0.00 C ATOM 1195 O ILE A 81 6.152 -13.679 1.802 1.00 0.00 O ATOM 1196 CB ILE A 81 4.842 -11.353 1.056 1.00 0.00 C ATOM 1197 CG1 ILE A 81 3.892 -10.193 0.754 1.00 0.00 C ATOM 1198 CG2 ILE A 81 5.852 -11.525 -0.069 1.00 0.00 C ATOM 1199 CD1 ILE A 81 4.535 -8.831 0.899 1.00 0.00 C ATOM 0 H ILE A 81 3.737 -12.413 3.326 1.00 0.00 H new ATOM 0 HA ILE A 81 3.371 -12.798 0.423 1.00 0.00 H new ATOM 0 HB ILE A 81 5.385 -11.124 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.512 -10.300 -0.262 1.00 0.00 H new ATOM 0 HG13 ILE A 81 3.034 -10.254 1.423 1.00 0.00 H new ATOM 0 HG21 ILE A 81 6.406 -10.596 -0.206 1.00 0.00 H new ATOM 0 HG22 ILE A 81 6.545 -12.327 0.184 1.00 0.00 H new ATOM 0 HG23 ILE A 81 5.329 -11.775 -0.992 1.00 0.00 H new ATOM 0 HD11 ILE A 81 3.803 -8.057 0.670 1.00 0.00 H new ATOM 0 HD12 ILE A 81 4.890 -8.703 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 81 5.376 -8.751 0.210 1.00 0.00 H new ATOM 1211 N GLY A 82 4.575 -14.990 0.876 1.00 0.00 N ATOM 1212 CA GLY A 82 5.420 -16.169 0.895 1.00 0.00 C ATOM 1213 C GLY A 82 5.154 -17.055 2.097 1.00 0.00 C ATOM 1214 O GLY A 82 5.103 -18.279 1.976 1.00 0.00 O ATOM 0 H GLY A 82 3.643 -15.137 0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 82 5.259 -16.742 -0.018 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.466 -15.862 0.898 1.00 0.00 H new ATOM 1218 N HIS A 83 4.984 -16.434 3.260 1.00 0.00 N ATOM 1219 CA HIS A 83 4.723 -17.174 4.490 1.00 0.00 C ATOM 1220 C HIS A 83 4.844 -16.264 5.708 1.00 0.00 C ATOM 1221 O HIS A 83 5.349 -16.674 6.754 1.00 0.00 O ATOM 1222 CB HIS A 83 5.692 -18.349 4.619 1.00 0.00 C ATOM 1223 CG HIS A 83 7.095 -18.017 4.213 1.00 0.00 C ATOM 1224 ND1 HIS A 83 7.887 -17.124 4.904 1.00 0.00 N ATOM 1225 CD2 HIS A 83 7.847 -18.464 3.181 1.00 0.00 C ATOM 1226 CE1 HIS A 83 9.065 -17.036 4.313 1.00 0.00 C ATOM 1227 NE2 HIS A 83 9.067 -17.840 3.265 1.00 0.00 N ATOM 0 H HIS A 83 5.022 -15.421 3.377 1.00 0.00 H new ATOM 0 HA HIS A 83 3.703 -17.557 4.444 1.00 0.00 H new ATOM 0 HB2 HIS A 83 5.694 -18.695 5.652 1.00 0.00 H new ATOM 0 HB3 HIS A 83 5.331 -19.175 4.007 1.00 0.00 H new ATOM 0 HD2 HIS A 83 7.544 -19.179 2.430 1.00 0.00 H new ATOM 0 HE1 HIS A 83 9.887 -16.413 4.632 1.00 0.00 H new ATOM 0 HE2 HIS A 83 9.848 -17.975 2.623 1.00 0.00 H new ATOM 1235 N ARG A 84 4.379 -15.027 5.566 1.00 0.00 N ATOM 1236 CA ARG A 84 4.438 -14.058 6.653 1.00 0.00 C ATOM 1237 C ARG A 84 3.388 -12.967 6.466 1.00 0.00 C ATOM 1238 O ARG A 84 3.550 -12.071 5.637 1.00 0.00 O ATOM 1239 CB ARG A 84 5.831 -13.432 6.734 1.00 0.00 C ATOM 1240 CG ARG A 84 6.661 -13.941 7.901 1.00 0.00 C ATOM 1241 CD ARG A 84 6.484 -13.067 9.132 1.00 0.00 C ATOM 1242 NE ARG A 84 7.459 -13.382 10.172 1.00 0.00 N ATOM 1243 CZ ARG A 84 7.385 -14.459 10.947 1.00 0.00 C ATOM 1244 NH1 ARG A 84 6.387 -15.320 10.798 1.00 0.00 N ATOM 1245 NH2 ARG A 84 8.311 -14.678 11.872 1.00 0.00 N ATOM 0 H ARG A 84 3.957 -14.672 4.708 1.00 0.00 H new ATOM 0 HA ARG A 84 4.230 -14.583 7.585 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.365 -13.633 5.805 1.00 0.00 H new ATOM 0 HB3 ARG A 84 5.729 -12.350 6.816 1.00 0.00 H new ATOM 0 HG2 ARG A 84 6.371 -14.965 8.136 1.00 0.00 H new ATOM 0 HG3 ARG A 84 7.713 -13.964 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 84 6.582 -12.019 8.849 1.00 0.00 H new ATOM 0 HD3 ARG A 84 5.477 -13.198 9.528 1.00 0.00 H new ATOM 0 HE ARG A 84 8.240 -12.740 10.311 1.00 0.00 H new ATOM 0 HH11 ARG A 84 5.674 -15.156 10.087 1.00 0.00 H new ATOM 0 HH12 ARG A 84 6.333 -16.146 11.394 1.00 0.00 H new ATOM 0 HH21 ARG A 84 9.081 -14.019 11.989 1.00 0.00 H new ATOM 0 HH22 ARG A 84 8.253 -15.505 12.466 1.00 0.00 H new ATOM 1259 N TYR A 85 2.312 -13.049 7.241 1.00 0.00 N ATOM 1260 CA TYR A 85 1.235 -12.069 7.159 1.00 0.00 C ATOM 1261 C TYR A 85 1.781 -10.649 7.258 1.00 0.00 C ATOM 1262 O TYR A 85 2.654 -10.363 8.078 1.00 0.00 O ATOM 1263 CB TYR A 85 0.212 -12.312 8.269 1.00 0.00 C ATOM 1264 CG TYR A 85 -0.475 -13.657 8.177 1.00 0.00 C ATOM 1265 CD1 TYR A 85 -1.327 -13.953 7.120 1.00 0.00 C ATOM 1266 CD2 TYR A 85 -0.271 -14.631 9.146 1.00 0.00 C ATOM 1267 CE1 TYR A 85 -1.956 -15.179 7.032 1.00 0.00 C ATOM 1268 CE2 TYR A 85 -0.895 -15.860 9.065 1.00 0.00 C ATOM 1269 CZ TYR A 85 -1.736 -16.130 8.007 1.00 0.00 C ATOM 1270 OH TYR A 85 -2.361 -17.354 7.922 1.00 0.00 O ATOM 0 H TYR A 85 2.162 -13.784 7.933 1.00 0.00 H new ATOM 0 HA TYR A 85 0.747 -12.184 6.191 1.00 0.00 H new ATOM 0 HB2 TYR A 85 0.711 -12.234 9.235 1.00 0.00 H new ATOM 0 HB3 TYR A 85 -0.542 -11.525 8.235 1.00 0.00 H new ATOM 0 HD1 TYR A 85 -1.500 -13.211 6.354 1.00 0.00 H new ATOM 0 HD2 TYR A 85 0.387 -14.423 9.977 1.00 0.00 H new ATOM 0 HE1 TYR A 85 -2.617 -15.392 6.205 1.00 0.00 H new ATOM 0 HE2 TYR A 85 -0.725 -16.606 9.827 1.00 0.00 H new ATOM 0 HH TYR A 85 -2.099 -17.909 8.686 1.00 0.00 H new ATOM 1280 N ILE A 86 1.260 -9.762 6.417 1.00 0.00 N ATOM 1281 CA ILE A 86 1.694 -8.370 6.409 1.00 0.00 C ATOM 1282 C ILE A 86 0.585 -7.446 6.901 1.00 0.00 C ATOM 1283 O ILE A 86 -0.528 -7.462 6.375 1.00 0.00 O ATOM 1284 CB ILE A 86 2.131 -7.924 5.002 1.00 0.00 C ATOM 1285 CG1 ILE A 86 3.020 -8.990 4.359 1.00 0.00 C ATOM 1286 CG2 ILE A 86 2.861 -6.590 5.072 1.00 0.00 C ATOM 1287 CD1 ILE A 86 4.478 -8.875 4.746 1.00 0.00 C ATOM 0 H ILE A 86 0.537 -9.982 5.732 1.00 0.00 H new ATOM 0 HA ILE A 86 2.547 -8.302 7.084 1.00 0.00 H new ATOM 0 HB ILE A 86 1.242 -7.798 4.384 1.00 0.00 H new ATOM 0 HG12 ILE A 86 2.654 -9.977 4.643 1.00 0.00 H new ATOM 0 HG13 ILE A 86 2.933 -8.918 3.275 1.00 0.00 H new ATOM 0 HG21 ILE A 86 3.164 -6.288 4.069 1.00 0.00 H new ATOM 0 HG22 ILE A 86 2.198 -5.834 5.494 1.00 0.00 H new ATOM 0 HG23 ILE A 86 3.744 -6.691 5.703 1.00 0.00 H new ATOM 0 HD11 ILE A 86 5.048 -9.662 4.253 1.00 0.00 H new ATOM 0 HD12 ILE A 86 4.861 -7.902 4.437 1.00 0.00 H new ATOM 0 HD13 ILE A 86 4.577 -8.977 5.827 1.00 0.00 H new ATOM 1299 N GLU A 87 0.895 -6.642 7.913 1.00 0.00 N ATOM 1300 CA GLU A 87 -0.075 -5.710 8.474 1.00 0.00 C ATOM 1301 C GLU A 87 0.113 -4.312 7.893 1.00 0.00 C ATOM 1302 O GLU A 87 1.150 -3.680 8.092 1.00 0.00 O ATOM 1303 CB GLU A 87 0.053 -5.662 9.998 1.00 0.00 C ATOM 1304 CG GLU A 87 -0.517 -6.886 10.696 1.00 0.00 C ATOM 1305 CD GLU A 87 0.523 -7.631 11.509 1.00 0.00 C ATOM 1306 OE1 GLU A 87 1.333 -6.966 12.188 1.00 0.00 O ATOM 1307 OE2 GLU A 87 0.524 -8.879 11.468 1.00 0.00 O ATOM 0 H GLU A 87 1.811 -6.618 8.361 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.072 -6.062 8.211 1.00 0.00 H new ATOM 0 HB2 GLU A 87 1.105 -5.561 10.263 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -0.456 -4.773 10.369 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -1.333 -6.579 11.350 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.941 -7.559 9.951 1.00 0.00 H new ATOM 1314 N ILE A 88 -0.898 -3.837 7.173 1.00 0.00 N ATOM 1315 CA ILE A 88 -0.845 -2.514 6.563 1.00 0.00 C ATOM 1316 C ILE A 88 -1.679 -1.510 7.351 1.00 0.00 C ATOM 1317 O ILE A 88 -2.826 -1.783 7.705 1.00 0.00 O ATOM 1318 CB ILE A 88 -1.343 -2.545 5.105 1.00 0.00 C ATOM 1319 CG1 ILE A 88 -0.483 -3.496 4.270 1.00 0.00 C ATOM 1320 CG2 ILE A 88 -1.326 -1.146 4.510 1.00 0.00 C ATOM 1321 CD1 ILE A 88 -1.265 -4.261 3.226 1.00 0.00 C ATOM 0 H ILE A 88 -1.763 -4.348 6.998 1.00 0.00 H new ATOM 0 HA ILE A 88 0.200 -2.204 6.576 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.370 -2.910 5.095 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.302 -2.924 3.776 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.010 -4.205 4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -1.680 -1.184 3.480 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.977 -0.495 5.094 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.309 -0.755 4.529 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -0.591 -4.915 2.673 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.033 -4.861 3.714 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.736 -3.559 2.537 1.00 0.00 H new ATOM 1333 N PHE A 89 -1.095 -0.348 7.622 1.00 0.00 N ATOM 1334 CA PHE A 89 -1.785 0.697 8.369 1.00 0.00 C ATOM 1335 C PHE A 89 -1.532 2.068 7.746 1.00 0.00 C ATOM 1336 O PHE A 89 -0.392 2.525 7.665 1.00 0.00 O ATOM 1337 CB PHE A 89 -1.328 0.698 9.829 1.00 0.00 C ATOM 1338 CG PHE A 89 -1.611 -0.593 10.545 1.00 0.00 C ATOM 1339 CD1 PHE A 89 -2.905 -1.080 10.639 1.00 0.00 C ATOM 1340 CD2 PHE A 89 -0.583 -1.320 11.123 1.00 0.00 C ATOM 1341 CE1 PHE A 89 -3.167 -2.265 11.297 1.00 0.00 C ATOM 1342 CE2 PHE A 89 -0.838 -2.507 11.782 1.00 0.00 C ATOM 1343 CZ PHE A 89 -2.133 -2.981 11.869 1.00 0.00 C ATOM 0 H PHE A 89 -0.146 -0.106 7.336 1.00 0.00 H new ATOM 0 HA PHE A 89 -2.854 0.490 8.330 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.257 0.898 9.866 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -1.823 1.513 10.356 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.718 -0.526 10.192 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.431 -0.954 11.058 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -4.180 -2.632 11.365 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -0.027 -3.063 12.228 1.00 0.00 H new ATOM 0 HZ PHE A 89 -2.336 -3.909 12.383 1.00 0.00 H new ATOM 1353 N LYS A 90 -2.604 2.718 7.307 1.00 0.00 N ATOM 1354 CA LYS A 90 -2.502 4.036 6.692 1.00 0.00 C ATOM 1355 C LYS A 90 -1.521 4.919 7.458 1.00 0.00 C ATOM 1356 O LYS A 90 -1.625 5.066 8.675 1.00 0.00 O ATOM 1357 CB LYS A 90 -3.876 4.707 6.641 1.00 0.00 C ATOM 1358 CG LYS A 90 -4.266 5.192 5.255 1.00 0.00 C ATOM 1359 CD LYS A 90 -3.598 6.514 4.918 1.00 0.00 C ATOM 1360 CE LYS A 90 -3.759 6.860 3.446 1.00 0.00 C ATOM 1361 NZ LYS A 90 -4.137 8.287 3.250 1.00 0.00 N ATOM 0 H LYS A 90 -3.555 2.353 7.366 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.131 3.907 5.675 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.628 4.002 6.995 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -3.883 5.553 7.328 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -3.986 4.443 4.514 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.349 5.306 5.200 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.030 7.307 5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.538 6.461 5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -2.826 6.656 2.921 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.521 6.218 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.089 8.523 2.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -5.106 8.440 3.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -3.481 8.896 3.779 1.00 0.00 H new ATOM 1375 N SER A 91 -0.572 5.506 6.736 1.00 0.00 N ATOM 1376 CA SER A 91 0.429 6.372 7.347 1.00 0.00 C ATOM 1377 C SER A 91 0.603 7.656 6.540 1.00 0.00 C ATOM 1378 O SER A 91 -0.129 7.904 5.582 1.00 0.00 O ATOM 1379 CB SER A 91 1.768 5.642 7.460 1.00 0.00 C ATOM 1380 OG SER A 91 2.658 6.337 8.315 1.00 0.00 O ATOM 0 H SER A 91 -0.475 5.397 5.726 1.00 0.00 H new ATOM 0 HA SER A 91 0.083 6.635 8.346 1.00 0.00 H new ATOM 0 HB2 SER A 91 1.605 4.634 7.842 1.00 0.00 H new ATOM 0 HB3 SER A 91 2.214 5.540 6.471 1.00 0.00 H new ATOM 0 HG SER A 91 2.147 6.808 9.006 1.00 0.00 H new ATOM 1386 N SER A 92 1.578 8.468 6.935 1.00 0.00 N ATOM 1387 CA SER A 92 1.848 9.726 6.251 1.00 0.00 C ATOM 1388 C SER A 92 3.350 9.966 6.125 1.00 0.00 C ATOM 1389 O SER A 92 4.135 9.495 6.947 1.00 0.00 O ATOM 1390 CB SER A 92 1.196 10.889 7.002 1.00 0.00 C ATOM 1391 OG SER A 92 1.708 10.995 8.319 1.00 0.00 O ATOM 0 H SER A 92 2.194 8.277 7.725 1.00 0.00 H new ATOM 0 HA SER A 92 1.423 9.664 5.249 1.00 0.00 H new ATOM 0 HB2 SER A 92 1.374 11.820 6.463 1.00 0.00 H new ATOM 0 HB3 SER A 92 0.116 10.743 7.039 1.00 0.00 H new ATOM 0 HG SER A 92 1.277 11.746 8.778 1.00 0.00 H new ATOM 1397 N ARG A 93 3.740 10.700 5.089 1.00 0.00 N ATOM 1398 CA ARG A 93 5.147 11.002 4.854 1.00 0.00 C ATOM 1399 C ARG A 93 5.790 11.606 6.098 1.00 0.00 C ATOM 1400 O ARG A 93 6.915 11.263 6.458 1.00 0.00 O ATOM 1401 CB ARG A 93 5.294 11.963 3.672 1.00 0.00 C ATOM 1402 CG ARG A 93 6.626 12.696 3.645 1.00 0.00 C ATOM 1403 CD ARG A 93 7.267 12.636 2.268 1.00 0.00 C ATOM 1404 NE ARG A 93 8.725 12.656 2.341 1.00 0.00 N ATOM 1405 CZ ARG A 93 9.516 12.613 1.275 1.00 0.00 C ATOM 1406 NH1 ARG A 93 8.991 12.548 0.059 1.00 0.00 N ATOM 1407 NH2 ARG A 93 10.834 12.635 1.423 1.00 0.00 N ATOM 0 H ARG A 93 3.102 11.097 4.399 1.00 0.00 H new ATOM 0 HA ARG A 93 5.658 10.068 4.620 1.00 0.00 H new ATOM 0 HB2 ARG A 93 5.178 11.404 2.744 1.00 0.00 H new ATOM 0 HB3 ARG A 93 4.487 12.695 3.707 1.00 0.00 H new ATOM 0 HG2 ARG A 93 6.476 13.737 3.933 1.00 0.00 H new ATOM 0 HG3 ARG A 93 7.300 12.256 4.381 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.942 11.730 1.756 1.00 0.00 H new ATOM 0 HD3 ARG A 93 6.922 13.480 1.671 1.00 0.00 H new ATOM 0 HE ARG A 93 9.160 12.706 3.262 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.978 12.531 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.600 12.515 -0.758 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.242 12.685 2.357 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.440 12.602 0.603 1.00 0.00 H new