USER MOD reduce.3.24.130724 H: found=0, std=0, add=806, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 804 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 102 GLN : amide:sc= -0.373 X(o=-0.55,f=-0.44) USER MOD Set 1.2: A 105 GLN : amide:sc= -0.176 X(o=-0.55,f=-0.44) USER MOD Set 2.1: A 97 HIS : no HD1:sc= 0.813 K(o=1.9,f=-2.7) USER MOD Set 2.2: A 99 SER OG : rot -95:sc= 1.11 USER MOD Set 3.1: A 53 MET CE :methyl -147:sc= -0.172 (180deg=-1.61!) USER MOD Set 3.2: A 86 ASN : amide:sc= -0.402 K(o=-0.57,f=-1.8) USER MOD Single : A 17 LYS NZ :NH3+ -114:sc= 0.00952 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 140:sc= 0.891 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 MET CE :methyl -176:sc= -0.192 (180deg=-0.266) USER MOD Single : A 33 GLN : amide:sc=-0.00166 K(o=-0.0017,f=-2.2!) USER MOD Single : A 34 HIS : no HD1:sc= -0.0332 X(o=-0.033,f=0) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ -143:sc= -0.221 (180deg=-1.43!) USER MOD Single : A 45 GLN : amide:sc= 0.0645 K(o=0.064,f=-2.1!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.351 X(o=-0.35,f=-0.12) USER MOD Single : A 57 THR OG1 : rot 86:sc= 1.11 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS : no HD1:sc= 0.387 K(o=0.39,f=-7.1!) USER MOD Single : A 68 GLN : amide:sc= -0.0318 K(o=-0.032,f=-0.92) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.00454 USER MOD Single : A 74 SER OG : rot 94:sc= 1.26 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 71:sc= 0.771 USER MOD Single : A 84 LYS NZ :NH3+ 158:sc= 1.22 (180deg=1.1) USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0.00878 USER MOD Single : A 95 SER OG : rot 95:sc= 1.25 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 1:sc= 0.74 USER MOD ----------------------------------------------------------------- ATOM 197 N LYS A 17 -2.011 10.005 13.626 1.00 0.00 N ATOM 198 CA LYS A 17 -2.591 8.969 12.767 1.00 0.00 C ATOM 199 C LYS A 17 -2.438 9.377 11.313 1.00 0.00 C ATOM 200 O LYS A 17 -1.926 8.611 10.498 1.00 0.00 O ATOM 201 CB LYS A 17 -4.065 8.690 13.129 1.00 0.00 C ATOM 202 CG LYS A 17 -4.540 7.337 12.555 1.00 0.00 C ATOM 203 CD LYS A 17 -5.237 7.374 11.188 1.00 0.00 C ATOM 204 CE LYS A 17 -6.753 7.508 11.362 1.00 0.00 C ATOM 205 NZ LYS A 17 -7.452 7.527 10.063 1.00 0.00 N ATOM 0 HA LYS A 17 -2.052 8.035 12.928 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.181 8.688 14.213 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.694 9.492 12.743 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.675 6.678 12.478 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.223 6.884 13.273 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.857 8.211 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -5.008 6.465 10.632 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -7.125 6.678 11.963 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.977 8.424 11.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -7.890 8.459 9.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -6.771 7.342 9.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.189 6.793 10.054 1.00 0.00 H new ATOM 219 N ALA A 18 -2.859 10.603 10.996 1.00 0.00 N ATOM 220 CA ALA A 18 -2.705 11.142 9.660 1.00 0.00 C ATOM 221 C ALA A 18 -1.232 11.137 9.248 1.00 0.00 C ATOM 222 O ALA A 18 -0.956 10.832 8.099 1.00 0.00 O ATOM 223 CB ALA A 18 -3.317 12.543 9.568 1.00 0.00 C ATOM 0 H ALA A 18 -3.310 11.237 11.655 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.245 10.505 8.960 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -3.191 12.930 8.557 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.379 12.492 9.807 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -2.817 13.205 10.275 1.00 0.00 H new ATOM 229 N ALA A 19 -0.292 11.432 10.151 1.00 0.00 N ATOM 230 CA ALA A 19 1.118 11.606 9.835 1.00 0.00 C ATOM 231 C ALA A 19 1.710 10.325 9.271 1.00 0.00 C ATOM 232 O ALA A 19 2.242 10.363 8.166 1.00 0.00 O ATOM 233 CB ALA A 19 1.914 12.078 11.059 1.00 0.00 C ATOM 0 H ALA A 19 -0.501 11.558 11.141 1.00 0.00 H new ATOM 0 HA ALA A 19 1.190 12.382 9.073 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.963 12.198 10.787 1.00 0.00 H new ATOM 0 HB2 ALA A 19 1.518 13.033 11.405 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.828 11.339 11.856 1.00 0.00 H new ATOM 239 N GLY A 20 1.624 9.207 9.998 1.00 0.00 N ATOM 240 CA GLY A 20 2.215 7.950 9.546 1.00 0.00 C ATOM 241 C GLY A 20 1.576 7.466 8.246 1.00 0.00 C ATOM 242 O GLY A 20 2.255 6.922 7.370 1.00 0.00 O ATOM 0 H GLY A 20 1.151 9.150 10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 20 3.287 8.083 9.398 1.00 0.00 H new ATOM 0 HA3 GLY A 20 2.092 7.190 10.318 1.00 0.00 H new ATOM 246 N GLU A 21 0.272 7.689 8.113 1.00 0.00 N ATOM 247 CA GLU A 21 -0.533 7.264 6.983 1.00 0.00 C ATOM 248 C GLU A 21 -0.135 8.085 5.749 1.00 0.00 C ATOM 249 O GLU A 21 0.216 7.517 4.717 1.00 0.00 O ATOM 250 CB GLU A 21 -2.019 7.401 7.367 1.00 0.00 C ATOM 251 CG GLU A 21 -2.631 6.205 8.152 1.00 0.00 C ATOM 252 CD GLU A 21 -1.947 5.698 9.451 1.00 0.00 C ATOM 253 OE1 GLU A 21 -0.724 5.423 9.457 1.00 0.00 O ATOM 254 OE2 GLU A 21 -2.648 5.373 10.440 1.00 0.00 O ATOM 0 H GLU A 21 -0.269 8.190 8.818 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.362 6.218 6.728 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.138 8.303 7.967 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -2.598 7.546 6.455 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -3.655 6.476 8.409 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -2.688 5.361 7.465 1.00 0.00 H new ATOM 261 N VAL A 22 -0.101 9.414 5.870 1.00 0.00 N ATOM 262 CA VAL A 22 0.379 10.339 4.850 1.00 0.00 C ATOM 263 C VAL A 22 1.834 10.028 4.508 1.00 0.00 C ATOM 264 O VAL A 22 2.181 10.017 3.333 1.00 0.00 O ATOM 265 CB VAL A 22 0.189 11.793 5.338 1.00 0.00 C ATOM 266 CG1 VAL A 22 0.921 12.834 4.485 1.00 0.00 C ATOM 267 CG2 VAL A 22 -1.304 12.163 5.330 1.00 0.00 C ATOM 0 H VAL A 22 -0.420 9.890 6.714 1.00 0.00 H new ATOM 0 HA VAL A 22 -0.201 10.220 3.935 1.00 0.00 H new ATOM 0 HB VAL A 22 0.612 11.817 6.342 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.739 13.829 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.991 12.627 4.497 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.554 12.787 3.460 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.426 13.189 5.676 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -1.696 12.072 4.317 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -1.849 11.490 5.992 1.00 0.00 H new ATOM 277 N LYS A 23 2.686 9.732 5.496 1.00 0.00 N ATOM 278 CA LYS A 23 4.089 9.413 5.243 1.00 0.00 C ATOM 279 C LYS A 23 4.169 8.208 4.327 1.00 0.00 C ATOM 280 O LYS A 23 4.945 8.221 3.386 1.00 0.00 O ATOM 281 CB LYS A 23 4.847 9.190 6.563 1.00 0.00 C ATOM 282 CG LYS A 23 6.376 9.336 6.423 1.00 0.00 C ATOM 283 CD LYS A 23 7.097 7.994 6.239 1.00 0.00 C ATOM 284 CE LYS A 23 7.229 7.259 7.579 1.00 0.00 C ATOM 285 NZ LYS A 23 7.748 5.891 7.404 1.00 0.00 N ATOM 0 H LYS A 23 2.423 9.708 6.481 1.00 0.00 H new ATOM 0 HA LYS A 23 4.572 10.254 4.746 1.00 0.00 H new ATOM 0 HB2 LYS A 23 4.488 9.903 7.305 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.618 8.194 6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.597 9.979 5.571 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.770 9.834 7.309 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.546 7.374 5.532 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.086 8.163 5.812 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.894 7.819 8.237 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.256 7.219 8.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.823 5.427 8.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.100 5.349 6.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.687 5.930 6.960 1.00 0.00 H new ATOM 299 N ALA A 24 3.358 7.184 4.586 1.00 0.00 N ATOM 300 CA ALA A 24 3.301 6.007 3.732 1.00 0.00 C ATOM 301 C ALA A 24 2.869 6.357 2.298 1.00 0.00 C ATOM 302 O ALA A 24 3.422 5.794 1.358 1.00 0.00 O ATOM 303 CB ALA A 24 2.402 4.938 4.360 1.00 0.00 C ATOM 0 H ALA A 24 2.728 7.150 5.388 1.00 0.00 H new ATOM 0 HA ALA A 24 4.308 5.596 3.654 1.00 0.00 H new ATOM 0 HB1 ALA A 24 2.369 4.063 3.710 1.00 0.00 H new ATOM 0 HB2 ALA A 24 2.802 4.652 5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.395 5.336 4.484 1.00 0.00 H new ATOM 309 N LEU A 25 1.918 7.278 2.104 1.00 0.00 N ATOM 310 CA LEU A 25 1.541 7.743 0.764 1.00 0.00 C ATOM 311 C LEU A 25 2.717 8.464 0.093 1.00 0.00 C ATOM 312 O LEU A 25 3.023 8.200 -1.069 1.00 0.00 O ATOM 313 CB LEU A 25 0.345 8.705 0.838 1.00 0.00 C ATOM 314 CG LEU A 25 -0.175 9.087 -0.562 1.00 0.00 C ATOM 315 CD1 LEU A 25 -1.382 8.264 -1.013 1.00 0.00 C ATOM 316 CD2 LEU A 25 -0.540 10.565 -0.540 1.00 0.00 C ATOM 0 H LEU A 25 1.394 7.717 2.861 1.00 0.00 H new ATOM 0 HA LEU A 25 1.266 6.868 0.176 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.459 8.241 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.638 9.607 1.375 1.00 0.00 H new ATOM 0 HG LEU A 25 0.617 8.876 -1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.693 8.588 -2.006 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.112 7.208 -1.044 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.203 8.408 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.912 10.863 -1.520 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.313 10.738 0.209 1.00 0.00 H new ATOM 0 HD23 LEU A 25 0.343 11.154 -0.293 1.00 0.00 H new ATOM 328 N ASP A 26 3.346 9.397 0.812 1.00 0.00 N ATOM 329 CA ASP A 26 4.459 10.222 0.340 1.00 0.00 C ATOM 330 C ASP A 26 5.548 9.320 -0.207 1.00 0.00 C ATOM 331 O ASP A 26 6.020 9.493 -1.333 1.00 0.00 O ATOM 332 CB ASP A 26 5.053 11.020 1.514 1.00 0.00 C ATOM 333 CG ASP A 26 6.044 12.094 1.079 1.00 0.00 C ATOM 334 OD1 ASP A 26 7.219 11.780 0.782 1.00 0.00 O ATOM 335 OD2 ASP A 26 5.662 13.283 1.095 1.00 0.00 O ATOM 0 H ASP A 26 3.083 9.606 1.775 1.00 0.00 H new ATOM 0 HA ASP A 26 4.094 10.902 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 26 4.242 11.489 2.071 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.552 10.331 2.196 1.00 0.00 H new ATOM 340 N ASP A 27 5.890 8.348 0.636 1.00 0.00 N ATOM 341 CA ASP A 27 6.996 7.434 0.515 1.00 0.00 C ATOM 342 C ASP A 27 6.769 6.519 -0.685 1.00 0.00 C ATOM 343 O ASP A 27 7.647 6.359 -1.532 1.00 0.00 O ATOM 344 CB ASP A 27 7.076 6.624 1.820 1.00 0.00 C ATOM 345 CG ASP A 27 8.343 5.825 2.055 1.00 0.00 C ATOM 346 OD1 ASP A 27 9.298 5.842 1.248 1.00 0.00 O ATOM 347 OD2 ASP A 27 8.411 5.205 3.142 1.00 0.00 O ATOM 0 H ASP A 27 5.351 8.176 1.484 1.00 0.00 H new ATOM 0 HA ASP A 27 7.934 7.967 0.357 1.00 0.00 H new ATOM 0 HB2 ASP A 27 6.950 7.313 2.655 1.00 0.00 H new ATOM 0 HB3 ASP A 27 6.231 5.935 1.844 1.00 0.00 H new ATOM 352 N PHE A 28 5.549 5.974 -0.781 1.00 0.00 N ATOM 353 CA PHE A 28 5.060 5.194 -1.905 1.00 0.00 C ATOM 354 C PHE A 28 5.209 5.983 -3.205 1.00 0.00 C ATOM 355 O PHE A 28 5.827 5.503 -4.154 1.00 0.00 O ATOM 356 CB PHE A 28 3.600 4.783 -1.650 1.00 0.00 C ATOM 357 CG PHE A 28 2.958 4.097 -2.834 1.00 0.00 C ATOM 358 CD1 PHE A 28 2.420 4.860 -3.889 1.00 0.00 C ATOM 359 CD2 PHE A 28 2.955 2.695 -2.913 1.00 0.00 C ATOM 360 CE1 PHE A 28 1.922 4.226 -5.034 1.00 0.00 C ATOM 361 CE2 PHE A 28 2.431 2.064 -4.055 1.00 0.00 C ATOM 362 CZ PHE A 28 1.928 2.828 -5.124 1.00 0.00 C ATOM 0 H PHE A 28 4.853 6.074 -0.042 1.00 0.00 H new ATOM 0 HA PHE A 28 5.655 4.286 -2.007 1.00 0.00 H new ATOM 0 HB2 PHE A 28 3.562 4.117 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 28 3.020 5.669 -1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 28 2.392 5.937 -3.815 1.00 0.00 H new ATOM 0 HD2 PHE A 28 3.353 2.105 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.532 4.816 -5.850 1.00 0.00 H new ATOM 0 HE2 PHE A 28 2.415 0.986 -4.112 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.549 2.339 -6.009 1.00 0.00 H new ATOM 372 N TYR A 29 4.634 7.187 -3.278 1.00 0.00 N ATOM 373 CA TYR A 29 4.652 7.960 -4.519 1.00 0.00 C ATOM 374 C TYR A 29 6.039 8.323 -5.005 1.00 0.00 C ATOM 375 O TYR A 29 6.265 8.451 -6.209 1.00 0.00 O ATOM 376 CB TYR A 29 3.891 9.258 -4.318 1.00 0.00 C ATOM 377 CG TYR A 29 2.451 9.125 -4.686 1.00 0.00 C ATOM 378 CD1 TYR A 29 2.113 8.580 -5.931 1.00 0.00 C ATOM 379 CD2 TYR A 29 1.466 9.599 -3.815 1.00 0.00 C ATOM 380 CE1 TYR A 29 0.782 8.574 -6.340 1.00 0.00 C ATOM 381 CE2 TYR A 29 0.115 9.590 -4.218 1.00 0.00 C ATOM 382 CZ TYR A 29 -0.233 9.087 -5.503 1.00 0.00 C ATOM 383 OH TYR A 29 -1.501 9.130 -5.999 1.00 0.00 O ATOM 0 H TYR A 29 4.156 7.642 -2.500 1.00 0.00 H new ATOM 0 HA TYR A 29 4.194 7.316 -5.270 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.972 9.568 -3.276 1.00 0.00 H new ATOM 0 HB3 TYR A 29 4.348 10.043 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.880 8.167 -6.570 1.00 0.00 H new ATOM 0 HD2 TYR A 29 1.738 9.970 -2.838 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.523 8.172 -7.309 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -0.652 9.963 -3.555 1.00 0.00 H new ATOM 0 HH TYR A 29 -2.135 8.870 -5.299 1.00 0.00 H new ATOM 393 N LYS A 30 6.955 8.494 -4.064 1.00 0.00 N ATOM 394 CA LYS A 30 8.370 8.624 -4.352 1.00 0.00 C ATOM 395 C LYS A 30 8.813 7.477 -5.258 1.00 0.00 C ATOM 396 O LYS A 30 9.193 7.725 -6.405 1.00 0.00 O ATOM 397 CB LYS A 30 9.160 8.727 -3.037 1.00 0.00 C ATOM 398 CG LYS A 30 10.164 9.875 -3.136 1.00 0.00 C ATOM 399 CD LYS A 30 11.017 10.006 -1.872 1.00 0.00 C ATOM 400 CE LYS A 30 10.239 10.695 -0.752 1.00 0.00 C ATOM 401 NZ LYS A 30 11.088 10.920 0.429 1.00 0.00 N ATOM 0 H LYS A 30 6.732 8.547 -3.070 1.00 0.00 H new ATOM 0 HA LYS A 30 8.575 9.544 -4.900 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.479 8.896 -2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 30 9.681 7.790 -2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.814 9.714 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 30 9.630 10.809 -3.310 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.337 9.018 -1.542 1.00 0.00 H new ATOM 0 HD3 LYS A 30 11.919 10.575 -2.096 1.00 0.00 H new ATOM 0 HE2 LYS A 30 9.850 11.648 -1.110 1.00 0.00 H new ATOM 0 HE3 LYS A 30 9.380 10.084 -0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 10.532 11.389 1.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 11.439 10.007 0.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 11.894 11.523 0.167 1.00 0.00 H new ATOM 415 N MET A 31 8.712 6.240 -4.777 1.00 0.00 N ATOM 416 CA MET A 31 9.099 5.054 -5.539 1.00 0.00 C ATOM 417 C MET A 31 8.250 4.892 -6.796 1.00 0.00 C ATOM 418 O MET A 31 8.768 4.381 -7.777 1.00 0.00 O ATOM 419 CB MET A 31 9.064 3.750 -4.718 1.00 0.00 C ATOM 420 CG MET A 31 8.724 3.932 -3.240 1.00 0.00 C ATOM 421 SD MET A 31 8.366 2.408 -2.356 1.00 0.00 S ATOM 422 CE MET A 31 10.023 1.699 -2.289 1.00 0.00 C ATOM 0 H MET A 31 8.358 6.031 -3.844 1.00 0.00 H new ATOM 0 HA MET A 31 10.137 5.227 -5.822 1.00 0.00 H new ATOM 0 HB2 MET A 31 8.333 3.076 -5.164 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.036 3.262 -4.795 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.558 4.433 -2.749 1.00 0.00 H new ATOM 0 HG3 MET A 31 7.862 4.594 -3.159 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.977 0.710 -1.833 1.00 0.00 H new ATOM 0 HE2 MET A 31 10.424 1.615 -3.299 1.00 0.00 H new ATOM 0 HE3 MET A 31 10.671 2.343 -1.694 1.00 0.00 H new ATOM 432 N LEU A 32 6.992 5.346 -6.819 1.00 0.00 N ATOM 433 CA LEU A 32 6.146 5.250 -8.008 1.00 0.00 C ATOM 434 C LEU A 32 6.810 5.901 -9.235 1.00 0.00 C ATOM 435 O LEU A 32 6.592 5.466 -10.366 1.00 0.00 O ATOM 436 CB LEU A 32 4.758 5.848 -7.708 1.00 0.00 C ATOM 437 CG LEU A 32 3.705 5.462 -8.759 1.00 0.00 C ATOM 438 CD1 LEU A 32 3.287 4.003 -8.606 1.00 0.00 C ATOM 439 CD2 LEU A 32 2.430 6.292 -8.603 1.00 0.00 C ATOM 0 H LEU A 32 6.537 5.787 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 32 6.015 4.198 -8.261 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.426 5.510 -6.726 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.837 6.934 -7.661 1.00 0.00 H new ATOM 0 HG LEU A 32 4.168 5.640 -9.730 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.541 3.757 -9.362 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.158 3.360 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.863 3.848 -7.614 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.707 5.994 -9.362 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.007 6.126 -7.612 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.667 7.349 -8.724 1.00 0.00 H new ATOM 451 N GLN A 33 7.646 6.920 -9.015 1.00 0.00 N ATOM 452 CA GLN A 33 8.485 7.521 -10.043 1.00 0.00 C ATOM 453 C GLN A 33 9.864 6.849 -10.067 1.00 0.00 C ATOM 454 O GLN A 33 10.344 6.480 -11.139 1.00 0.00 O ATOM 455 CB GLN A 33 8.627 9.028 -9.780 1.00 0.00 C ATOM 456 CG GLN A 33 7.302 9.804 -9.717 1.00 0.00 C ATOM 457 CD GLN A 33 6.632 10.094 -11.064 1.00 0.00 C ATOM 458 OE1 GLN A 33 6.622 9.283 -11.985 1.00 0.00 O ATOM 459 NE2 GLN A 33 6.027 11.263 -11.193 1.00 0.00 N ATOM 0 H GLN A 33 7.757 7.355 -8.099 1.00 0.00 H new ATOM 0 HA GLN A 33 8.016 7.374 -11.016 1.00 0.00 H new ATOM 0 HB2 GLN A 33 9.158 9.169 -8.839 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.248 9.462 -10.564 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.603 9.241 -9.099 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.482 10.752 -9.211 1.00 0.00 H new ATOM 0 HE21 GLN A 33 6.040 11.932 -10.423 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.548 11.496 -12.063 1.00 0.00 H new ATOM 468 N HIS A 34 10.523 6.720 -8.907 1.00 0.00 N ATOM 469 CA HIS A 34 11.927 6.324 -8.820 1.00 0.00 C ATOM 470 C HIS A 34 12.162 4.840 -9.119 1.00 0.00 C ATOM 471 O HIS A 34 13.064 4.521 -9.894 1.00 0.00 O ATOM 472 CB HIS A 34 12.507 6.701 -7.450 1.00 0.00 C ATOM 473 CG HIS A 34 12.801 8.176 -7.319 1.00 0.00 C ATOM 474 ND1 HIS A 34 13.884 8.828 -7.862 1.00 0.00 N ATOM 475 CD2 HIS A 34 12.086 9.095 -6.606 1.00 0.00 C ATOM 476 CE1 HIS A 34 13.832 10.113 -7.483 1.00 0.00 C ATOM 477 NE2 HIS A 34 12.738 10.327 -6.731 1.00 0.00 N ATOM 0 H HIS A 34 10.090 6.890 -7.999 1.00 0.00 H new ATOM 0 HA HIS A 34 12.452 6.876 -9.600 1.00 0.00 H new ATOM 0 HB2 HIS A 34 11.805 6.406 -6.671 1.00 0.00 H new ATOM 0 HB3 HIS A 34 13.425 6.137 -7.283 1.00 0.00 H new ATOM 0 HD2 HIS A 34 11.182 8.906 -6.047 1.00 0.00 H new ATOM 0 HE1 HIS A 34 14.562 10.866 -7.743 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.441 11.216 -6.329 1.00 0.00 H new ATOM 485 N GLU A 35 11.399 3.922 -8.526 1.00 0.00 N ATOM 486 CA GLU A 35 11.500 2.482 -8.751 1.00 0.00 C ATOM 487 C GLU A 35 10.102 1.851 -8.607 1.00 0.00 C ATOM 488 O GLU A 35 9.775 1.311 -7.547 1.00 0.00 O ATOM 489 CB GLU A 35 12.591 1.841 -7.861 1.00 0.00 C ATOM 490 CG GLU A 35 12.581 2.204 -6.359 1.00 0.00 C ATOM 491 CD GLU A 35 13.807 1.672 -5.594 1.00 0.00 C ATOM 492 OE1 GLU A 35 14.406 0.649 -6.002 1.00 0.00 O ATOM 493 OE2 GLU A 35 14.156 2.232 -4.528 1.00 0.00 O ATOM 0 H GLU A 35 10.671 4.169 -7.855 1.00 0.00 H new ATOM 0 HA GLU A 35 11.836 2.282 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 35 12.504 0.758 -7.947 1.00 0.00 H new ATOM 0 HB3 GLU A 35 13.564 2.116 -8.268 1.00 0.00 H new ATOM 0 HG2 GLU A 35 12.539 3.288 -6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.675 1.805 -5.902 1.00 0.00 H new ATOM 500 N PRO A 36 9.247 1.913 -9.650 1.00 0.00 N ATOM 501 CA PRO A 36 7.866 1.434 -9.569 1.00 0.00 C ATOM 502 C PRO A 36 7.769 -0.084 -9.368 1.00 0.00 C ATOM 503 O PRO A 36 6.713 -0.587 -8.983 1.00 0.00 O ATOM 504 CB PRO A 36 7.180 1.894 -10.859 1.00 0.00 C ATOM 505 CG PRO A 36 8.335 2.070 -11.841 1.00 0.00 C ATOM 506 CD PRO A 36 9.491 2.521 -10.952 1.00 0.00 C ATOM 0 HA PRO A 36 7.371 1.849 -8.691 1.00 0.00 H new ATOM 0 HB2 PRO A 36 6.461 1.156 -11.215 1.00 0.00 H new ATOM 0 HB3 PRO A 36 6.634 2.826 -10.712 1.00 0.00 H new ATOM 0 HG2 PRO A 36 8.566 1.140 -12.360 1.00 0.00 H new ATOM 0 HG3 PRO A 36 8.103 2.812 -12.605 1.00 0.00 H new ATOM 0 HD2 PRO A 36 10.449 2.199 -11.361 1.00 0.00 H new ATOM 0 HD3 PRO A 36 9.526 3.608 -10.876 1.00 0.00 H new ATOM 514 N ASP A 37 8.871 -0.820 -9.533 1.00 0.00 N ATOM 515 CA ASP A 37 9.024 -2.219 -9.136 1.00 0.00 C ATOM 516 C ASP A 37 8.707 -2.422 -7.649 1.00 0.00 C ATOM 517 O ASP A 37 8.460 -3.550 -7.219 1.00 0.00 O ATOM 518 CB ASP A 37 10.473 -2.691 -9.340 1.00 0.00 C ATOM 519 CG ASP A 37 11.042 -2.522 -10.743 1.00 0.00 C ATOM 520 OD1 ASP A 37 11.142 -1.362 -11.211 1.00 0.00 O ATOM 521 OD2 ASP A 37 11.442 -3.529 -11.370 1.00 0.00 O ATOM 0 H ASP A 37 9.714 -0.441 -9.964 1.00 0.00 H new ATOM 0 HA ASP A 37 8.331 -2.787 -9.757 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.112 -2.148 -8.643 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.531 -3.746 -9.071 1.00 0.00 H new ATOM 526 N ARG A 38 8.750 -1.349 -6.844 1.00 0.00 N ATOM 527 CA ARG A 38 8.519 -1.378 -5.404 1.00 0.00 C ATOM 528 C ARG A 38 7.225 -0.674 -4.989 1.00 0.00 C ATOM 529 O ARG A 38 6.951 -0.608 -3.790 1.00 0.00 O ATOM 530 CB ARG A 38 9.724 -0.787 -4.652 1.00 0.00 C ATOM 531 CG ARG A 38 10.994 -1.633 -4.835 1.00 0.00 C ATOM 532 CD ARG A 38 12.189 -1.114 -4.035 1.00 0.00 C ATOM 533 NE ARG A 38 11.934 -1.069 -2.585 1.00 0.00 N ATOM 534 CZ ARG A 38 12.658 -0.379 -1.697 1.00 0.00 C ATOM 535 NH1 ARG A 38 13.795 0.208 -2.042 1.00 0.00 N ATOM 536 NH2 ARG A 38 12.212 -0.271 -0.454 1.00 0.00 N ATOM 0 H ARG A 38 8.953 -0.413 -7.194 1.00 0.00 H new ATOM 0 HA ARG A 38 8.402 -2.426 -5.128 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.910 0.227 -5.007 1.00 0.00 H new ATOM 0 HB3 ARG A 38 9.488 -0.714 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.784 -2.660 -4.536 1.00 0.00 H new ATOM 0 HG3 ARG A 38 11.257 -1.657 -5.893 1.00 0.00 H new ATOM 0 HD2 ARG A 38 13.052 -1.751 -4.227 1.00 0.00 H new ATOM 0 HD3 ARG A 38 12.447 -0.114 -4.384 1.00 0.00 H new ATOM 0 HE ARG A 38 11.143 -1.606 -2.230 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.134 0.139 -3.001 1.00 0.00 H new ATOM 0 HH12 ARG A 38 14.331 0.729 -1.348 1.00 0.00 H new ATOM 0 HH21 ARG A 38 11.330 -0.710 -0.189 1.00 0.00 H new ATOM 0 HH22 ARG A 38 12.750 0.251 0.237 1.00 0.00 H new ATOM 550 N ALA A 39 6.423 -0.163 -5.926 1.00 0.00 N ATOM 551 CA ALA A 39 5.218 0.600 -5.626 1.00 0.00 C ATOM 552 C ALA A 39 4.031 -0.068 -6.323 1.00 0.00 C ATOM 553 O ALA A 39 3.714 0.237 -7.469 1.00 0.00 O ATOM 554 CB ALA A 39 5.423 2.061 -6.042 1.00 0.00 C ATOM 0 H ALA A 39 6.598 -0.271 -6.925 1.00 0.00 H new ATOM 0 HA ALA A 39 5.006 0.608 -4.557 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.522 2.633 -5.818 1.00 0.00 H new ATOM 0 HB2 ALA A 39 6.265 2.481 -5.492 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.627 2.110 -7.112 1.00 0.00 H new ATOM 560 N PHE A 40 3.398 -1.026 -5.644 1.00 0.00 N ATOM 561 CA PHE A 40 2.329 -1.847 -6.211 1.00 0.00 C ATOM 562 C PHE A 40 0.985 -1.213 -5.875 1.00 0.00 C ATOM 563 O PHE A 40 0.766 -0.824 -4.724 1.00 0.00 O ATOM 564 CB PHE A 40 2.391 -3.261 -5.622 1.00 0.00 C ATOM 565 CG PHE A 40 3.226 -4.223 -6.437 1.00 0.00 C ATOM 566 CD1 PHE A 40 4.327 -3.774 -7.185 1.00 0.00 C ATOM 567 CD2 PHE A 40 2.873 -5.582 -6.471 1.00 0.00 C ATOM 568 CE1 PHE A 40 5.042 -4.673 -7.974 1.00 0.00 C ATOM 569 CE2 PHE A 40 3.585 -6.491 -7.271 1.00 0.00 C ATOM 570 CZ PHE A 40 4.669 -6.024 -8.027 1.00 0.00 C ATOM 0 H PHE A 40 3.616 -1.256 -4.674 1.00 0.00 H new ATOM 0 HA PHE A 40 2.450 -1.907 -7.293 1.00 0.00 H new ATOM 0 HB2 PHE A 40 2.797 -3.207 -4.612 1.00 0.00 H new ATOM 0 HB3 PHE A 40 1.378 -3.655 -5.537 1.00 0.00 H new ATOM 0 HD1 PHE A 40 4.619 -2.735 -7.149 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.044 -5.933 -5.875 1.00 0.00 H new ATOM 0 HE1 PHE A 40 5.889 -4.327 -8.548 1.00 0.00 H new ATOM 0 HE2 PHE A 40 3.302 -7.533 -7.303 1.00 0.00 H new ATOM 0 HZ PHE A 40 5.220 -6.709 -8.654 1.00 0.00 H new ATOM 580 N TYR A 41 0.072 -1.106 -6.844 1.00 0.00 N ATOM 581 CA TYR A 41 -1.302 -0.712 -6.558 1.00 0.00 C ATOM 582 C TYR A 41 -2.319 -1.487 -7.388 1.00 0.00 C ATOM 583 O TYR A 41 -1.989 -2.083 -8.415 1.00 0.00 O ATOM 584 CB TYR A 41 -1.456 0.796 -6.727 1.00 0.00 C ATOM 585 CG TYR A 41 -1.553 1.223 -8.171 1.00 0.00 C ATOM 586 CD1 TYR A 41 -0.392 1.368 -8.950 1.00 0.00 C ATOM 587 CD2 TYR A 41 -2.819 1.412 -8.750 1.00 0.00 C ATOM 588 CE1 TYR A 41 -0.496 1.742 -10.298 1.00 0.00 C ATOM 589 CE2 TYR A 41 -2.930 1.824 -10.084 1.00 0.00 C ATOM 590 CZ TYR A 41 -1.765 2.006 -10.863 1.00 0.00 C ATOM 591 OH TYR A 41 -1.859 2.462 -12.141 1.00 0.00 O ATOM 0 H TYR A 41 0.263 -1.287 -7.830 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.515 -0.968 -5.520 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -2.349 1.126 -6.196 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -0.606 1.296 -6.263 1.00 0.00 H new ATOM 0 HD1 TYR A 41 0.579 1.192 -8.511 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -3.710 1.239 -8.164 1.00 0.00 H new ATOM 0 HE1 TYR A 41 0.393 1.828 -10.904 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -3.904 2.002 -10.516 1.00 0.00 H new ATOM 0 HH TYR A 41 -2.802 2.591 -12.374 1.00 0.00 H new ATOM 601 N GLY A 42 -3.583 -1.420 -6.974 1.00 0.00 N ATOM 602 CA GLY A 42 -4.611 -2.291 -7.511 1.00 0.00 C ATOM 603 C GLY A 42 -4.474 -3.636 -6.828 1.00 0.00 C ATOM 604 O GLY A 42 -3.395 -4.233 -6.835 1.00 0.00 O ATOM 0 H GLY A 42 -3.915 -0.766 -6.265 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.601 -1.870 -7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.499 -2.396 -8.590 1.00 0.00 H new ATOM 608 N LEU A 43 -5.583 -4.099 -6.250 1.00 0.00 N ATOM 609 CA LEU A 43 -5.729 -5.330 -5.482 1.00 0.00 C ATOM 610 C LEU A 43 -4.874 -6.455 -6.087 1.00 0.00 C ATOM 611 O LEU A 43 -4.043 -7.050 -5.414 1.00 0.00 O ATOM 612 CB LEU A 43 -7.241 -5.645 -5.428 1.00 0.00 C ATOM 613 CG LEU A 43 -7.636 -6.998 -4.816 1.00 0.00 C ATOM 614 CD1 LEU A 43 -7.396 -7.062 -3.308 1.00 0.00 C ATOM 615 CD2 LEU A 43 -9.124 -7.266 -5.075 1.00 0.00 C ATOM 0 H LEU A 43 -6.462 -3.586 -6.312 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.358 -5.225 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -7.734 -4.856 -4.860 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.636 -5.601 -6.443 1.00 0.00 H new ATOM 0 HG LEU A 43 -7.006 -7.750 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.694 -8.041 -2.933 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -6.338 -6.901 -3.101 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -7.985 -6.290 -2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.402 -8.226 -4.640 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -9.721 -6.475 -4.620 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -9.308 -7.287 -6.149 1.00 0.00 H new ATOM 627 N LYS A 44 -5.003 -6.657 -7.397 1.00 0.00 N ATOM 628 CA LYS A 44 -4.317 -7.621 -8.238 1.00 0.00 C ATOM 629 C LYS A 44 -2.790 -7.597 -8.100 1.00 0.00 C ATOM 630 O LYS A 44 -2.192 -8.655 -7.926 1.00 0.00 O ATOM 631 CB LYS A 44 -4.833 -7.303 -9.649 1.00 0.00 C ATOM 632 CG LYS A 44 -3.940 -7.661 -10.823 1.00 0.00 C ATOM 633 CD LYS A 44 -4.519 -7.123 -12.143 1.00 0.00 C ATOM 634 CE LYS A 44 -4.344 -5.598 -12.337 1.00 0.00 C ATOM 635 NZ LYS A 44 -5.426 -4.762 -11.763 1.00 0.00 N ATOM 0 H LYS A 44 -5.654 -6.093 -7.943 1.00 0.00 H new ATOM 0 HA LYS A 44 -4.534 -8.649 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -5.785 -7.817 -9.782 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -5.039 -6.234 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.943 -7.249 -10.665 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -3.831 -8.744 -10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -4.041 -7.641 -12.974 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -5.581 -7.364 -12.186 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.397 -5.297 -11.889 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -4.272 -5.389 -13.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -5.608 -3.952 -12.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.292 -5.330 -11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -5.137 -4.416 -10.825 1.00 0.00 H new ATOM 649 N GLN A 45 -2.137 -6.437 -8.227 1.00 0.00 N ATOM 650 CA GLN A 45 -0.676 -6.366 -8.141 1.00 0.00 C ATOM 651 C GLN A 45 -0.269 -6.776 -6.736 1.00 0.00 C ATOM 652 O GLN A 45 0.583 -7.629 -6.518 1.00 0.00 O ATOM 653 CB GLN A 45 -0.167 -4.951 -8.467 1.00 0.00 C ATOM 654 CG GLN A 45 -0.473 -4.545 -9.913 1.00 0.00 C ATOM 655 CD GLN A 45 0.053 -3.155 -10.287 1.00 0.00 C ATOM 656 OE1 GLN A 45 0.735 -2.471 -9.521 1.00 0.00 O ATOM 657 NE2 GLN A 45 -0.276 -2.701 -11.488 1.00 0.00 N ATOM 0 H GLN A 45 -2.594 -5.540 -8.389 1.00 0.00 H new ATOM 0 HA GLN A 45 -0.230 -7.039 -8.873 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -0.627 -4.235 -7.785 1.00 0.00 H new ATOM 0 HB3 GLN A 45 0.909 -4.906 -8.299 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -0.038 -5.282 -10.588 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -1.552 -4.569 -10.067 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -0.841 -3.276 -12.113 1.00 0.00 H new ATOM 0 HE22 GLN A 45 0.036 -1.777 -11.787 1.00 0.00 H new ATOM 666 N VAL A 46 -0.894 -6.171 -5.747 1.00 0.00 N ATOM 667 CA VAL A 46 -0.625 -6.407 -4.348 1.00 0.00 C ATOM 668 C VAL A 46 -0.844 -7.894 -3.981 1.00 0.00 C ATOM 669 O VAL A 46 -0.095 -8.433 -3.167 1.00 0.00 O ATOM 670 CB VAL A 46 -1.479 -5.410 -3.550 1.00 0.00 C ATOM 671 CG1 VAL A 46 -1.004 -5.396 -2.106 1.00 0.00 C ATOM 672 CG2 VAL A 46 -1.377 -3.962 -4.074 1.00 0.00 C ATOM 0 H VAL A 46 -1.627 -5.479 -5.903 1.00 0.00 H new ATOM 0 HA VAL A 46 0.421 -6.231 -4.097 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.513 -5.740 -3.651 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.605 -4.691 -1.532 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.109 -6.393 -1.679 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.043 -5.094 -2.070 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.004 -3.310 -3.466 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -0.342 -3.626 -4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -1.713 -3.926 -5.110 1.00 0.00 H new ATOM 682 N GLU A 47 -1.777 -8.598 -4.627 1.00 0.00 N ATOM 683 CA GLU A 47 -1.989 -10.039 -4.483 1.00 0.00 C ATOM 684 C GLU A 47 -0.820 -10.875 -5.056 1.00 0.00 C ATOM 685 O GLU A 47 -0.617 -12.024 -4.660 1.00 0.00 O ATOM 686 CB GLU A 47 -3.348 -10.412 -5.115 1.00 0.00 C ATOM 687 CG GLU A 47 -4.515 -10.051 -4.175 1.00 0.00 C ATOM 688 CD GLU A 47 -5.903 -10.481 -4.688 1.00 0.00 C ATOM 689 OE1 GLU A 47 -6.315 -10.097 -5.812 1.00 0.00 O ATOM 690 OE2 GLU A 47 -6.615 -11.198 -3.942 1.00 0.00 O ATOM 0 H GLU A 47 -2.426 -8.166 -5.285 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.014 -10.284 -3.421 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -3.467 -9.890 -6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.370 -11.480 -5.334 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -4.340 -10.515 -3.204 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -4.518 -8.973 -4.017 1.00 0.00 H new ATOM 697 N LYS A 48 0.022 -10.323 -5.936 1.00 0.00 N ATOM 698 CA LYS A 48 1.324 -10.900 -6.302 1.00 0.00 C ATOM 699 C LYS A 48 2.337 -10.610 -5.198 1.00 0.00 C ATOM 700 O LYS A 48 3.133 -11.489 -4.868 1.00 0.00 O ATOM 701 CB LYS A 48 1.762 -10.345 -7.685 1.00 0.00 C ATOM 702 CG LYS A 48 3.261 -10.408 -8.028 1.00 0.00 C ATOM 703 CD LYS A 48 3.658 -11.734 -8.673 1.00 0.00 C ATOM 704 CE LYS A 48 5.075 -12.188 -8.290 1.00 0.00 C ATOM 705 NZ LYS A 48 6.111 -11.880 -9.296 1.00 0.00 N ATOM 0 H LYS A 48 -0.183 -9.450 -6.422 1.00 0.00 H new ATOM 0 HA LYS A 48 1.254 -11.984 -6.396 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.216 -10.890 -8.455 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.445 -9.304 -7.746 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.511 -9.590 -8.704 1.00 0.00 H new ATOM 0 HG3 LYS A 48 3.845 -10.260 -7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 48 2.944 -12.503 -8.378 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.594 -11.638 -9.757 1.00 0.00 H new ATOM 0 HE2 LYS A 48 5.351 -11.716 -7.347 1.00 0.00 H new ATOM 0 HE3 LYS A 48 5.063 -13.264 -8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 7.034 -12.220 -8.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 5.875 -12.351 -10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 6.154 -10.852 -9.446 1.00 0.00 H new ATOM 719 N ALA A 49 2.349 -9.397 -4.647 1.00 0.00 N ATOM 720 CA ALA A 49 3.341 -8.993 -3.657 1.00 0.00 C ATOM 721 C ALA A 49 3.170 -9.673 -2.296 1.00 0.00 C ATOM 722 O ALA A 49 4.169 -9.909 -1.612 1.00 0.00 O ATOM 723 CB ALA A 49 3.299 -7.486 -3.457 1.00 0.00 C ATOM 0 H ALA A 49 1.672 -8.669 -4.875 1.00 0.00 H new ATOM 0 HA ALA A 49 4.304 -9.310 -4.058 1.00 0.00 H new ATOM 0 HB1 ALA A 49 4.044 -7.196 -2.716 1.00 0.00 H new ATOM 0 HB2 ALA A 49 3.515 -6.987 -4.402 1.00 0.00 H new ATOM 0 HB3 ALA A 49 2.308 -7.193 -3.110 1.00 0.00 H new ATOM 729 N ASN A 50 1.939 -9.969 -1.867 1.00 0.00 N ATOM 730 CA ASN A 50 1.718 -10.710 -0.624 1.00 0.00 C ATOM 731 C ASN A 50 2.386 -12.081 -0.740 1.00 0.00 C ATOM 732 O ASN A 50 3.152 -12.474 0.130 1.00 0.00 O ATOM 733 CB ASN A 50 0.218 -10.817 -0.305 1.00 0.00 C ATOM 734 CG ASN A 50 -0.068 -11.800 0.827 1.00 0.00 C ATOM 735 OD1 ASN A 50 -0.244 -12.990 0.600 1.00 0.00 O ATOM 736 ND2 ASN A 50 -0.132 -11.328 2.059 1.00 0.00 N ATOM 0 H ASN A 50 1.085 -9.708 -2.360 1.00 0.00 H new ATOM 0 HA ASN A 50 2.170 -10.175 0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.164 -9.833 -0.033 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.319 -11.131 -1.200 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.330 -11.958 2.837 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.017 -10.334 2.233 1.00 0.00 H new ATOM 743 N GLU A 51 2.227 -12.746 -1.878 1.00 0.00 N ATOM 744 CA GLU A 51 2.875 -14.015 -2.194 1.00 0.00 C ATOM 745 C GLU A 51 4.401 -13.940 -2.340 1.00 0.00 C ATOM 746 O GLU A 51 5.078 -14.963 -2.465 1.00 0.00 O ATOM 747 CB GLU A 51 2.299 -14.473 -3.525 1.00 0.00 C ATOM 748 CG GLU A 51 0.908 -15.047 -3.380 1.00 0.00 C ATOM 749 CD GLU A 51 0.478 -15.705 -4.695 1.00 0.00 C ATOM 750 OE1 GLU A 51 1.129 -15.475 -5.747 1.00 0.00 O ATOM 751 OE2 GLU A 51 -0.565 -16.399 -4.723 1.00 0.00 O ATOM 0 H GLU A 51 1.626 -12.408 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 51 2.686 -14.695 -1.363 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.272 -13.630 -4.216 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.956 -15.224 -3.964 1.00 0.00 H new ATOM 0 HG2 GLU A 51 0.889 -15.780 -2.573 1.00 0.00 H new ATOM 0 HG3 GLU A 51 0.206 -14.258 -3.111 1.00 0.00 H new ATOM 758 N ALA A 52 4.939 -12.729 -2.395 1.00 0.00 N ATOM 759 CA ALA A 52 6.375 -12.437 -2.413 1.00 0.00 C ATOM 760 C ALA A 52 6.923 -12.149 -1.008 1.00 0.00 C ATOM 761 O ALA A 52 8.131 -11.955 -0.883 1.00 0.00 O ATOM 762 CB ALA A 52 6.690 -11.263 -3.363 1.00 0.00 C ATOM 0 H ALA A 52 4.367 -11.885 -2.430 1.00 0.00 H new ATOM 0 HA ALA A 52 6.875 -13.331 -2.785 1.00 0.00 H new ATOM 0 HB1 ALA A 52 7.762 -11.068 -3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 52 6.373 -11.518 -4.374 1.00 0.00 H new ATOM 0 HB3 ALA A 52 6.157 -10.372 -3.030 1.00 0.00 H new ATOM 768 N MET A 53 6.072 -12.080 0.028 1.00 0.00 N ATOM 769 CA MET A 53 6.371 -11.547 1.370 1.00 0.00 C ATOM 770 C MET A 53 6.906 -10.110 1.341 1.00 0.00 C ATOM 771 O MET A 53 7.461 -9.617 2.318 1.00 0.00 O ATOM 772 CB MET A 53 7.316 -12.461 2.168 1.00 0.00 C ATOM 773 CG MET A 53 6.866 -13.918 2.244 1.00 0.00 C ATOM 774 SD MET A 53 5.422 -14.159 3.297 1.00 0.00 S ATOM 775 CE MET A 53 4.235 -14.760 2.068 1.00 0.00 C ATOM 0 H MET A 53 5.110 -12.410 -0.049 1.00 0.00 H new ATOM 0 HA MET A 53 5.412 -11.523 1.887 1.00 0.00 H new ATOM 0 HB2 MET A 53 8.307 -12.422 1.716 1.00 0.00 H new ATOM 0 HB3 MET A 53 7.412 -12.069 3.181 1.00 0.00 H new ATOM 0 HG2 MET A 53 6.639 -14.275 1.239 1.00 0.00 H new ATOM 0 HG3 MET A 53 7.688 -14.527 2.620 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.234 -14.421 2.333 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.501 -14.371 1.085 1.00 0.00 H new ATOM 0 HE3 MET A 53 4.255 -15.850 2.045 1.00 0.00 H new ATOM 785 N ALA A 54 6.772 -9.419 0.210 1.00 0.00 N ATOM 786 CA ALA A 54 7.545 -8.221 -0.075 1.00 0.00 C ATOM 787 C ALA A 54 6.889 -6.955 0.450 1.00 0.00 C ATOM 788 O ALA A 54 7.505 -5.894 0.378 1.00 0.00 O ATOM 789 CB ALA A 54 7.691 -8.127 -1.593 1.00 0.00 C ATOM 0 H ALA A 54 6.122 -9.678 -0.533 1.00 0.00 H new ATOM 0 HA ALA A 54 8.509 -8.300 0.427 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.267 -7.238 -1.849 1.00 0.00 H new ATOM 0 HB2 ALA A 54 8.206 -9.013 -1.964 1.00 0.00 H new ATOM 0 HB3 ALA A 54 6.704 -8.063 -2.050 1.00 0.00 H new ATOM 795 N ILE A 55 5.644 -7.036 0.912 1.00 0.00 N ATOM 796 CA ILE A 55 4.855 -5.888 1.316 1.00 0.00 C ATOM 797 C ILE A 55 5.417 -5.376 2.631 1.00 0.00 C ATOM 798 O ILE A 55 5.300 -6.029 3.662 1.00 0.00 O ATOM 799 CB ILE A 55 3.354 -6.237 1.358 1.00 0.00 C ATOM 800 CG1 ILE A 55 2.941 -6.595 -0.080 1.00 0.00 C ATOM 801 CG2 ILE A 55 2.552 -5.062 1.958 1.00 0.00 C ATOM 802 CD1 ILE A 55 1.459 -6.839 -0.300 1.00 0.00 C ATOM 0 H ILE A 55 5.150 -7.922 1.016 1.00 0.00 H new ATOM 0 HA ILE A 55 4.926 -5.081 0.587 1.00 0.00 H new ATOM 0 HB ILE A 55 3.144 -7.089 2.005 1.00 0.00 H new ATOM 0 HG12 ILE A 55 3.259 -5.789 -0.741 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.486 -7.489 -0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 55 1.493 -5.319 1.983 1.00 0.00 H new ATOM 0 HG22 ILE A 55 2.901 -4.863 2.971 1.00 0.00 H new ATOM 0 HG23 ILE A 55 2.695 -4.173 1.344 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.282 -7.083 -1.347 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.130 -7.668 0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.900 -5.941 -0.037 1.00 0.00 H new ATOM 814 N ASP A 56 6.033 -4.201 2.563 1.00 0.00 N ATOM 815 CA ASP A 56 6.489 -3.469 3.733 1.00 0.00 C ATOM 816 C ASP A 56 5.270 -2.944 4.483 1.00 0.00 C ATOM 817 O ASP A 56 5.043 -3.256 5.651 1.00 0.00 O ATOM 818 CB ASP A 56 7.369 -2.294 3.304 1.00 0.00 C ATOM 819 CG ASP A 56 7.705 -1.437 4.520 1.00 0.00 C ATOM 820 OD1 ASP A 56 8.673 -1.746 5.251 1.00 0.00 O ATOM 821 OD2 ASP A 56 6.971 -0.452 4.767 1.00 0.00 O ATOM 0 H ASP A 56 6.231 -3.727 1.682 1.00 0.00 H new ATOM 0 HA ASP A 56 7.072 -4.129 4.376 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.285 -2.662 2.841 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.852 -1.694 2.555 1.00 0.00 H new ATOM 826 N THR A 57 4.481 -2.116 3.800 1.00 0.00 N ATOM 827 CA THR A 57 3.353 -1.415 4.372 1.00 0.00 C ATOM 828 C THR A 57 2.271 -1.330 3.306 1.00 0.00 C ATOM 829 O THR A 57 2.557 -1.098 2.132 1.00 0.00 O ATOM 830 CB THR A 57 3.810 -0.030 4.851 1.00 0.00 C ATOM 831 OG1 THR A 57 4.713 -0.179 5.923 1.00 0.00 O ATOM 832 CG2 THR A 57 2.679 0.831 5.401 1.00 0.00 C ATOM 0 H THR A 57 4.619 -1.915 2.810 1.00 0.00 H new ATOM 0 HA THR A 57 2.948 -1.938 5.238 1.00 0.00 H new ATOM 0 HB THR A 57 4.243 0.450 3.973 1.00 0.00 H new ATOM 0 HG1 THR A 57 5.619 -0.309 5.572 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.077 1.794 5.720 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.930 0.987 4.625 1.00 0.00 H new ATOM 0 HG23 THR A 57 2.220 0.328 6.252 1.00 0.00 H new ATOM 840 N LEU A 58 1.025 -1.479 3.735 1.00 0.00 N ATOM 841 CA LEU A 58 -0.175 -1.483 2.918 1.00 0.00 C ATOM 842 C LEU A 58 -0.943 -0.207 3.216 1.00 0.00 C ATOM 843 O LEU A 58 -1.114 0.116 4.384 1.00 0.00 O ATOM 844 CB LEU A 58 -0.970 -2.733 3.317 1.00 0.00 C ATOM 845 CG LEU A 58 -2.479 -2.684 3.036 1.00 0.00 C ATOM 846 CD1 LEU A 58 -2.766 -2.609 1.545 1.00 0.00 C ATOM 847 CD2 LEU A 58 -3.102 -3.950 3.602 1.00 0.00 C ATOM 0 H LEU A 58 0.815 -1.608 4.725 1.00 0.00 H new ATOM 0 HA LEU A 58 0.032 -1.513 1.848 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -0.550 -3.591 2.792 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.824 -2.909 4.383 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.899 -1.792 3.501 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.843 -2.576 1.383 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.309 -1.710 1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.352 -3.487 1.050 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.176 -3.942 3.416 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.657 -4.821 3.121 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.920 -3.996 4.676 1.00 0.00 H new ATOM 859 N LEU A 59 -1.416 0.493 2.184 1.00 0.00 N ATOM 860 CA LEU A 59 -2.242 1.688 2.278 1.00 0.00 C ATOM 861 C LEU A 59 -3.591 1.352 1.651 1.00 0.00 C ATOM 862 O LEU A 59 -3.619 1.000 0.471 1.00 0.00 O ATOM 863 CB LEU A 59 -1.600 2.944 1.635 1.00 0.00 C ATOM 864 CG LEU A 59 -0.217 2.828 0.962 1.00 0.00 C ATOM 865 CD1 LEU A 59 0.104 4.085 0.140 1.00 0.00 C ATOM 866 CD2 LEU A 59 0.927 2.657 1.969 1.00 0.00 C ATOM 0 H LEU A 59 -1.223 0.227 1.218 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.356 1.960 3.327 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.297 3.321 0.887 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -1.523 3.706 2.411 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.283 1.942 0.330 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.085 3.976 -0.323 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.651 4.216 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 59 0.107 4.957 0.794 1.00 0.00 H new ATOM 0 HD21 LEU A 59 1.874 2.581 1.434 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.955 3.518 2.637 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.766 1.750 2.552 1.00 0.00 H new ATOM 878 N ILE A 60 -4.697 1.432 2.399 1.00 0.00 N ATOM 879 CA ILE A 60 -6.018 1.188 1.830 1.00 0.00 C ATOM 880 C ILE A 60 -6.959 2.233 2.419 1.00 0.00 C ATOM 881 O ILE A 60 -6.842 2.554 3.610 1.00 0.00 O ATOM 882 CB ILE A 60 -6.425 -0.281 2.088 1.00 0.00 C ATOM 883 CG1 ILE A 60 -7.708 -0.598 1.311 1.00 0.00 C ATOM 884 CG2 ILE A 60 -6.584 -0.700 3.565 1.00 0.00 C ATOM 885 CD1 ILE A 60 -8.045 -2.086 1.313 1.00 0.00 C ATOM 0 H ILE A 60 -4.700 1.662 3.393 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.047 1.300 0.746 1.00 0.00 H new ATOM 0 HB ILE A 60 -5.579 -0.871 1.734 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -8.538 -0.041 1.746 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -7.599 -0.256 0.282 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -6.871 -1.750 3.616 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -5.638 -0.556 4.088 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.355 -0.090 4.035 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -8.963 -2.252 0.748 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -7.230 -2.644 0.853 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -8.184 -2.426 2.339 1.00 0.00 H new ATOM 897 N SER A 61 -7.886 2.767 1.622 1.00 0.00 N ATOM 898 CA SER A 61 -8.898 3.663 2.155 1.00 0.00 C ATOM 899 C SER A 61 -9.835 2.875 3.064 1.00 0.00 C ATOM 900 O SER A 61 -10.112 1.692 2.825 1.00 0.00 O ATOM 901 CB SER A 61 -9.637 4.393 1.033 1.00 0.00 C ATOM 902 OG SER A 61 -10.016 5.653 1.558 1.00 0.00 O ATOM 0 H SER A 61 -7.952 2.594 0.619 1.00 0.00 H new ATOM 0 HA SER A 61 -8.422 4.440 2.753 1.00 0.00 H new ATOM 0 HB2 SER A 61 -8.996 4.513 0.160 1.00 0.00 H new ATOM 0 HB3 SER A 61 -10.511 3.827 0.711 1.00 0.00 H new ATOM 0 HG SER A 61 -10.495 6.163 0.871 1.00 0.00 H new ATOM 908 N ASP A 62 -10.311 3.497 4.142 1.00 0.00 N ATOM 909 CA ASP A 62 -11.245 2.850 5.052 1.00 0.00 C ATOM 910 C ASP A 62 -12.491 2.461 4.288 1.00 0.00 C ATOM 911 O ASP A 62 -12.962 1.345 4.430 1.00 0.00 O ATOM 912 CB ASP A 62 -11.561 3.654 6.318 1.00 0.00 C ATOM 913 CG ASP A 62 -12.542 4.827 6.163 1.00 0.00 C ATOM 914 OD1 ASP A 62 -12.252 5.804 5.431 1.00 0.00 O ATOM 915 OD2 ASP A 62 -13.580 4.772 6.865 1.00 0.00 O ATOM 0 H ASP A 62 -10.062 4.451 4.404 1.00 0.00 H new ATOM 0 HA ASP A 62 -10.756 1.954 5.435 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -11.964 2.969 7.064 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -10.624 4.044 6.716 1.00 0.00 H new ATOM 920 N GLU A 63 -12.945 3.291 3.360 1.00 0.00 N ATOM 921 CA GLU A 63 -14.100 2.983 2.526 1.00 0.00 C ATOM 922 C GLU A 63 -13.971 1.712 1.661 1.00 0.00 C ATOM 923 O GLU A 63 -14.989 1.232 1.161 1.00 0.00 O ATOM 924 CB GLU A 63 -14.414 4.188 1.637 1.00 0.00 C ATOM 925 CG GLU A 63 -13.231 4.611 0.763 1.00 0.00 C ATOM 926 CD GLU A 63 -13.719 5.344 -0.475 1.00 0.00 C ATOM 927 OE1 GLU A 63 -13.959 6.569 -0.383 1.00 0.00 O ATOM 928 OE2 GLU A 63 -13.923 4.666 -1.507 1.00 0.00 O ATOM 0 H GLU A 63 -12.523 4.198 3.163 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.915 2.770 3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -15.264 3.949 0.998 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -14.713 5.027 2.265 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -12.562 5.255 1.334 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -12.656 3.733 0.470 1.00 0.00 H new ATOM 935 N LEU A 64 -12.767 1.167 1.450 1.00 0.00 N ATOM 936 CA LEU A 64 -12.573 -0.122 0.778 1.00 0.00 C ATOM 937 C LEU A 64 -12.472 -1.238 1.809 1.00 0.00 C ATOM 938 O LEU A 64 -13.070 -2.301 1.642 1.00 0.00 O ATOM 939 CB LEU A 64 -11.327 -0.104 -0.111 1.00 0.00 C ATOM 940 CG LEU A 64 -11.367 0.939 -1.241 1.00 0.00 C ATOM 941 CD1 LEU A 64 -10.089 0.793 -2.056 1.00 0.00 C ATOM 942 CD2 LEU A 64 -12.567 0.784 -2.178 1.00 0.00 C ATOM 0 H LEU A 64 -11.896 1.610 1.742 1.00 0.00 H new ATOM 0 HA LEU A 64 -13.436 -0.304 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -10.454 0.087 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.195 -1.093 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 64 -11.458 1.921 -0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.089 1.522 -2.867 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.226 0.966 -1.413 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.036 -0.213 -2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -12.528 1.553 -2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -12.539 -0.200 -2.646 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -13.490 0.888 -1.608 1.00 0.00 H new ATOM 954 N PHE A 65 -11.773 -0.980 2.918 1.00 0.00 N ATOM 955 CA PHE A 65 -11.800 -1.823 4.105 1.00 0.00 C ATOM 956 C PHE A 65 -13.233 -2.002 4.655 1.00 0.00 C ATOM 957 O PHE A 65 -13.501 -2.960 5.382 1.00 0.00 O ATOM 958 CB PHE A 65 -10.857 -1.161 5.118 1.00 0.00 C ATOM 959 CG PHE A 65 -10.468 -1.972 6.329 1.00 0.00 C ATOM 960 CD1 PHE A 65 -9.818 -3.206 6.161 1.00 0.00 C ATOM 961 CD2 PHE A 65 -10.678 -1.454 7.621 1.00 0.00 C ATOM 962 CE1 PHE A 65 -9.472 -3.979 7.285 1.00 0.00 C ATOM 963 CE2 PHE A 65 -10.303 -2.214 8.743 1.00 0.00 C ATOM 964 CZ PHE A 65 -9.722 -3.484 8.577 1.00 0.00 C ATOM 0 H PHE A 65 -11.165 -0.166 3.012 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.467 -2.836 3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -9.944 -0.877 4.594 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -11.326 -0.240 5.464 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.584 -3.562 5.169 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -11.124 -0.479 7.750 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -9.016 -4.949 7.156 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -10.462 -1.821 9.736 1.00 0.00 H new ATOM 0 HZ PHE A 65 -9.468 -4.079 9.442 1.00 0.00 H new ATOM 974 N ARG A 66 -14.166 -1.116 4.282 1.00 0.00 N ATOM 975 CA ARG A 66 -15.561 -1.016 4.707 1.00 0.00 C ATOM 976 C ARG A 66 -16.519 -1.091 3.507 1.00 0.00 C ATOM 977 O ARG A 66 -17.652 -0.617 3.615 1.00 0.00 O ATOM 978 CB ARG A 66 -15.745 0.304 5.495 1.00 0.00 C ATOM 979 CG ARG A 66 -14.756 0.484 6.667 1.00 0.00 C ATOM 980 CD ARG A 66 -15.431 0.679 8.019 1.00 0.00 C ATOM 981 NE ARG A 66 -14.426 0.786 9.094 1.00 0.00 N ATOM 982 CZ ARG A 66 -13.760 -0.231 9.656 1.00 0.00 C ATOM 983 NH1 ARG A 66 -14.065 -1.492 9.341 1.00 0.00 N ATOM 984 NH2 ARG A 66 -12.780 0.013 10.517 1.00 0.00 N ATOM 0 H ARG A 66 -13.937 -0.383 3.611 1.00 0.00 H new ATOM 0 HA ARG A 66 -15.805 -1.860 5.352 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -15.633 1.143 4.808 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -16.763 0.343 5.884 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -14.106 -0.390 6.719 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.118 1.344 6.463 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -16.045 1.579 7.998 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -16.099 -0.158 8.221 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.219 1.722 9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -14.808 -1.684 8.669 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.555 -2.263 9.772 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -12.534 0.975 10.751 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -12.273 -0.761 10.945 1.00 0.00 H new ATOM 998 N HIS A 67 -16.079 -1.644 2.366 1.00 0.00 N ATOM 999 CA HIS A 67 -16.840 -1.629 1.110 1.00 0.00 C ATOM 1000 C HIS A 67 -18.224 -2.266 1.298 1.00 0.00 C ATOM 1001 O HIS A 67 -18.400 -3.112 2.180 1.00 0.00 O ATOM 1002 CB HIS A 67 -16.024 -2.319 0.004 1.00 0.00 C ATOM 1003 CG HIS A 67 -16.589 -2.177 -1.386 1.00 0.00 C ATOM 1004 ND1 HIS A 67 -17.704 -2.851 -1.880 1.00 0.00 N ATOM 1005 CD2 HIS A 67 -16.040 -1.442 -2.392 1.00 0.00 C ATOM 1006 CE1 HIS A 67 -17.818 -2.489 -3.168 1.00 0.00 C ATOM 1007 NE2 HIS A 67 -16.840 -1.628 -3.495 1.00 0.00 N ATOM 0 H HIS A 67 -15.179 -2.117 2.290 1.00 0.00 H new ATOM 0 HA HIS A 67 -17.014 -0.597 0.805 1.00 0.00 H new ATOM 0 HB2 HIS A 67 -15.013 -1.913 0.012 1.00 0.00 H new ATOM 0 HB3 HIS A 67 -15.943 -3.380 0.241 1.00 0.00 H new ATOM 0 HD2 HIS A 67 -15.150 -0.832 -2.335 1.00 0.00 H new ATOM 0 HE1 HIS A 67 -18.585 -2.839 -3.843 1.00 0.00 H new ATOM 0 HE2 HIS A 67 -16.713 -1.187 -4.406 1.00 0.00 H new ATOM 1015 N GLN A 68 -19.214 -1.851 0.504 1.00 0.00 N ATOM 1016 CA GLN A 68 -20.585 -2.347 0.609 1.00 0.00 C ATOM 1017 C GLN A 68 -20.675 -3.840 0.299 1.00 0.00 C ATOM 1018 O GLN A 68 -21.307 -4.582 1.052 1.00 0.00 O ATOM 1019 CB GLN A 68 -21.541 -1.495 -0.249 1.00 0.00 C ATOM 1020 CG GLN A 68 -21.248 -1.345 -1.759 1.00 0.00 C ATOM 1021 CD GLN A 68 -21.859 -2.417 -2.669 1.00 0.00 C ATOM 1022 OE1 GLN A 68 -22.588 -3.307 -2.240 1.00 0.00 O ATOM 1023 NE2 GLN A 68 -21.576 -2.338 -3.960 1.00 0.00 N ATOM 0 H GLN A 68 -19.085 -1.158 -0.233 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.907 -2.241 1.645 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -22.541 -1.916 -0.147 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -21.570 -0.495 0.183 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -21.610 -0.370 -2.085 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -20.167 -1.347 -1.902 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -20.969 -1.594 -4.304 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -21.965 -3.021 -4.610 1.00 0.00 H new ATOM 1032 N ASP A 69 -20.050 -4.283 -0.789 1.00 0.00 N ATOM 1033 CA ASP A 69 -20.177 -5.642 -1.282 1.00 0.00 C ATOM 1034 C ASP A 69 -19.345 -6.542 -0.388 1.00 0.00 C ATOM 1035 O ASP A 69 -18.142 -6.307 -0.247 1.00 0.00 O ATOM 1036 CB ASP A 69 -19.664 -5.756 -2.719 1.00 0.00 C ATOM 1037 CG ASP A 69 -20.195 -7.038 -3.352 1.00 0.00 C ATOM 1038 OD1 ASP A 69 -19.800 -8.147 -2.936 1.00 0.00 O ATOM 1039 OD2 ASP A 69 -21.077 -6.950 -4.238 1.00 0.00 O ATOM 0 H ASP A 69 -19.436 -3.698 -1.356 1.00 0.00 H new ATOM 0 HA ASP A 69 -21.227 -5.933 -1.271 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -19.985 -4.892 -3.300 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -18.574 -5.759 -2.728 1.00 0.00 H new ATOM 1044 N VAL A 70 -19.938 -7.562 0.229 1.00 0.00 N ATOM 1045 CA VAL A 70 -19.189 -8.429 1.121 1.00 0.00 C ATOM 1046 C VAL A 70 -18.050 -9.125 0.369 1.00 0.00 C ATOM 1047 O VAL A 70 -17.011 -9.336 0.989 1.00 0.00 O ATOM 1048 CB VAL A 70 -20.139 -9.408 1.831 1.00 0.00 C ATOM 1049 CG1 VAL A 70 -19.389 -10.362 2.771 1.00 0.00 C ATOM 1050 CG2 VAL A 70 -21.143 -8.640 2.688 1.00 0.00 C ATOM 0 H VAL A 70 -20.924 -7.803 0.126 1.00 0.00 H new ATOM 0 HA VAL A 70 -18.717 -7.831 1.900 1.00 0.00 H new ATOM 0 HB VAL A 70 -20.634 -9.979 1.046 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -20.100 -11.035 3.250 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -18.668 -10.945 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -18.865 -9.785 3.533 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -21.810 -9.344 3.186 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -20.609 -8.054 3.437 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -21.727 -7.973 2.054 1.00 0.00 H new ATOM 1060 N ALA A 71 -18.175 -9.446 -0.923 1.00 0.00 N ATOM 1061 CA ALA A 71 -17.119 -10.097 -1.697 1.00 0.00 C ATOM 1062 C ALA A 71 -15.943 -9.143 -1.906 1.00 0.00 C ATOM 1063 O ALA A 71 -14.820 -9.444 -1.494 1.00 0.00 O ATOM 1064 CB ALA A 71 -17.649 -10.626 -3.035 1.00 0.00 C ATOM 0 H ALA A 71 -19.020 -9.259 -1.463 1.00 0.00 H new ATOM 0 HA ALA A 71 -16.765 -10.956 -1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -16.838 -11.104 -3.584 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -18.440 -11.353 -2.851 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -18.046 -9.798 -3.622 1.00 0.00 H new ATOM 1070 N THR A 72 -16.190 -7.980 -2.514 1.00 0.00 N ATOM 1071 CA THR A 72 -15.193 -6.929 -2.705 1.00 0.00 C ATOM 1072 C THR A 72 -14.549 -6.586 -1.363 1.00 0.00 C ATOM 1073 O THR A 72 -13.325 -6.635 -1.236 1.00 0.00 O ATOM 1074 CB THR A 72 -15.899 -5.709 -3.323 1.00 0.00 C ATOM 1075 OG1 THR A 72 -16.670 -6.068 -4.461 1.00 0.00 O ATOM 1076 CG2 THR A 72 -14.963 -4.562 -3.677 1.00 0.00 C ATOM 0 H THR A 72 -17.106 -7.740 -2.893 1.00 0.00 H new ATOM 0 HA THR A 72 -14.399 -7.258 -3.376 1.00 0.00 H new ATOM 0 HB THR A 72 -16.560 -5.346 -2.536 1.00 0.00 H new ATOM 0 HG1 THR A 72 -17.105 -5.270 -4.826 1.00 0.00 H new ATOM 0 HG21 THR A 72 -15.539 -3.742 -4.107 1.00 0.00 H new ATOM 0 HG22 THR A 72 -14.455 -4.216 -2.777 1.00 0.00 H new ATOM 0 HG23 THR A 72 -14.224 -4.905 -4.401 1.00 0.00 H new ATOM 1084 N ARG A 73 -15.350 -6.294 -0.335 1.00 0.00 N ATOM 1085 CA ARG A 73 -14.820 -6.021 0.990 1.00 0.00 C ATOM 1086 C ARG A 73 -13.972 -7.185 1.507 1.00 0.00 C ATOM 1087 O ARG A 73 -12.882 -6.943 2.019 1.00 0.00 O ATOM 1088 CB ARG A 73 -15.972 -5.706 1.955 1.00 0.00 C ATOM 1089 CG ARG A 73 -15.402 -5.121 3.241 1.00 0.00 C ATOM 1090 CD ARG A 73 -16.480 -4.884 4.291 1.00 0.00 C ATOM 1091 NE ARG A 73 -15.845 -4.463 5.537 1.00 0.00 N ATOM 1092 CZ ARG A 73 -16.348 -4.528 6.767 1.00 0.00 C ATOM 1093 NH1 ARG A 73 -17.611 -4.878 6.984 1.00 0.00 N ATOM 1094 NH2 ARG A 73 -15.544 -4.244 7.776 1.00 0.00 N ATOM 0 H ARG A 73 -16.367 -6.242 -0.402 1.00 0.00 H new ATOM 0 HA ARG A 73 -14.165 -5.152 0.926 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -16.664 -5.000 1.496 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -16.538 -6.612 2.173 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -14.648 -5.797 3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -14.900 -4.179 3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -17.179 -4.121 3.948 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -17.056 -5.795 4.451 1.00 0.00 H new ATOM 0 HE ARG A 73 -14.906 -4.074 5.455 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -18.220 -5.105 6.198 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -17.972 -4.920 7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -14.573 -3.986 7.598 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -15.894 -4.283 8.733 1.00 0.00 H new ATOM 1108 N SER A 74 -14.443 -8.431 1.385 1.00 0.00 N ATOM 1109 CA SER A 74 -13.747 -9.610 1.912 1.00 0.00 C ATOM 1110 C SER A 74 -12.306 -9.654 1.423 1.00 0.00 C ATOM 1111 O SER A 74 -11.400 -9.945 2.198 1.00 0.00 O ATOM 1112 CB SER A 74 -14.405 -10.933 1.502 1.00 0.00 C ATOM 1113 OG SER A 74 -15.614 -11.177 2.173 1.00 0.00 O ATOM 0 H SER A 74 -15.322 -8.651 0.916 1.00 0.00 H new ATOM 0 HA SER A 74 -13.796 -9.509 2.996 1.00 0.00 H new ATOM 0 HB2 SER A 74 -14.588 -10.923 0.428 1.00 0.00 H new ATOM 0 HB3 SER A 74 -13.714 -11.752 1.700 1.00 0.00 H new ATOM 0 HG SER A 74 -16.362 -10.857 1.626 1.00 0.00 H new ATOM 1119 N ARG A 75 -12.102 -9.351 0.143 1.00 0.00 N ATOM 1120 CA ARG A 75 -10.797 -9.382 -0.501 1.00 0.00 C ATOM 1121 C ARG A 75 -9.860 -8.450 0.237 1.00 0.00 C ATOM 1122 O ARG A 75 -8.781 -8.850 0.661 1.00 0.00 O ATOM 1123 CB ARG A 75 -10.959 -8.977 -1.969 1.00 0.00 C ATOM 1124 CG ARG A 75 -11.613 -10.107 -2.764 1.00 0.00 C ATOM 1125 CD ARG A 75 -12.238 -9.538 -4.035 1.00 0.00 C ATOM 1126 NE ARG A 75 -12.391 -10.552 -5.087 1.00 0.00 N ATOM 1127 CZ ARG A 75 -11.394 -11.165 -5.739 1.00 0.00 C ATOM 1128 NH1 ARG A 75 -10.124 -10.869 -5.476 1.00 0.00 N ATOM 1129 NH2 ARG A 75 -11.659 -12.077 -6.660 1.00 0.00 N ATOM 0 H ARG A 75 -12.856 -9.072 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.371 -10.385 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.567 -8.075 -2.039 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.985 -8.739 -2.397 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -10.871 -10.864 -3.018 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -12.375 -10.598 -2.159 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -13.214 -9.114 -3.798 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.618 -8.723 -4.408 1.00 0.00 H new ATOM 0 HE ARG A 75 -13.343 -10.813 -5.344 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.899 -10.168 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.375 -11.343 -5.980 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -12.626 -12.317 -6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -10.896 -12.540 -7.153 1.00 0.00 H new ATOM 1143 N TYR A 76 -10.286 -7.203 0.421 1.00 0.00 N ATOM 1144 CA TYR A 76 -9.502 -6.227 1.139 1.00 0.00 C ATOM 1145 C TYR A 76 -9.231 -6.648 2.571 1.00 0.00 C ATOM 1146 O TYR A 76 -8.072 -6.633 2.968 1.00 0.00 O ATOM 1147 CB TYR A 76 -10.193 -4.870 1.080 1.00 0.00 C ATOM 1148 CG TYR A 76 -10.254 -4.329 -0.331 1.00 0.00 C ATOM 1149 CD1 TYR A 76 -9.073 -4.200 -1.086 1.00 0.00 C ATOM 1150 CD2 TYR A 76 -11.492 -4.003 -0.905 1.00 0.00 C ATOM 1151 CE1 TYR A 76 -9.126 -3.736 -2.406 1.00 0.00 C ATOM 1152 CE2 TYR A 76 -11.554 -3.543 -2.231 1.00 0.00 C ATOM 1153 CZ TYR A 76 -10.364 -3.397 -2.988 1.00 0.00 C ATOM 1154 OH TYR A 76 -10.377 -2.943 -4.270 1.00 0.00 O ATOM 0 H TYR A 76 -11.179 -6.852 0.076 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.529 -6.152 0.654 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -11.204 -4.960 1.478 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -9.661 -4.164 1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.122 -4.460 -0.645 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -12.398 -4.106 -0.327 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -8.216 -3.638 -2.979 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -12.509 -3.300 -2.674 1.00 0.00 H new ATOM 0 HH TYR A 76 -11.299 -2.750 -4.539 1.00 0.00 H new ATOM 1164 N VAL A 77 -10.248 -6.995 3.366 1.00 0.00 N ATOM 1165 CA VAL A 77 -10.010 -7.316 4.780 1.00 0.00 C ATOM 1166 C VAL A 77 -9.074 -8.521 4.913 1.00 0.00 C ATOM 1167 O VAL A 77 -8.219 -8.538 5.798 1.00 0.00 O ATOM 1168 CB VAL A 77 -11.312 -7.493 5.590 1.00 0.00 C ATOM 1169 CG1 VAL A 77 -12.239 -6.296 5.361 1.00 0.00 C ATOM 1170 CG2 VAL A 77 -12.092 -8.767 5.250 1.00 0.00 C ATOM 0 H VAL A 77 -11.221 -7.061 3.067 1.00 0.00 H new ATOM 0 HA VAL A 77 -9.512 -6.453 5.223 1.00 0.00 H new ATOM 0 HB VAL A 77 -10.997 -7.568 6.631 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -13.155 -6.430 5.936 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -11.739 -5.382 5.682 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -12.484 -6.223 4.301 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -12.993 -8.816 5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -12.370 -8.753 4.196 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -11.469 -9.639 5.450 1.00 0.00 H new ATOM 1180 N ARG A 78 -9.197 -9.508 4.018 1.00 0.00 N ATOM 1181 CA ARG A 78 -8.319 -10.664 4.016 1.00 0.00 C ATOM 1182 C ARG A 78 -6.909 -10.253 3.651 1.00 0.00 C ATOM 1183 O ARG A 78 -5.992 -10.555 4.393 1.00 0.00 O ATOM 1184 CB ARG A 78 -8.820 -11.743 3.051 1.00 0.00 C ATOM 1185 CG ARG A 78 -9.983 -12.531 3.673 1.00 0.00 C ATOM 1186 CD ARG A 78 -9.754 -14.042 3.554 1.00 0.00 C ATOM 1187 NE ARG A 78 -10.255 -14.773 4.731 1.00 0.00 N ATOM 1188 CZ ARG A 78 -9.767 -14.659 5.976 1.00 0.00 C ATOM 1189 NH1 ARG A 78 -8.619 -14.040 6.222 1.00 0.00 N ATOM 1190 NH2 ARG A 78 -10.456 -15.125 7.009 1.00 0.00 N ATOM 0 H ARG A 78 -9.905 -9.520 3.284 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.319 -11.084 5.022 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.145 -11.281 2.118 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.005 -12.423 2.803 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -10.090 -12.258 4.723 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.915 -12.261 3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -10.251 -14.414 2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -8.689 -14.238 3.432 1.00 0.00 H new ATOM 0 HE ARG A 78 -11.034 -15.416 4.588 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -8.083 -13.636 5.454 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -8.273 -13.969 7.179 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -11.360 -15.572 6.859 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -10.081 -15.036 7.954 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.715 -9.561 2.537 1.00 0.00 N ATOM 1205 CA LEU A 79 -5.388 -9.161 2.102 1.00 0.00 C ATOM 1206 C LEU A 79 -4.710 -8.246 3.133 1.00 0.00 C ATOM 1207 O LEU A 79 -3.503 -8.350 3.353 1.00 0.00 O ATOM 1208 CB LEU A 79 -5.541 -8.499 0.734 1.00 0.00 C ATOM 1209 CG LEU A 79 -4.184 -8.102 0.142 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -3.232 -9.275 -0.122 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -4.445 -7.368 -1.162 1.00 0.00 C ATOM 0 H LEU A 79 -7.467 -9.264 1.915 1.00 0.00 H new ATOM 0 HA LEU A 79 -4.731 -10.026 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -6.049 -9.182 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.171 -7.614 0.826 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.682 -7.480 0.883 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -2.298 -8.899 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -3.027 -9.795 0.814 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.693 -9.966 -0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -3.496 -7.072 -1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.980 -8.024 -1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.047 -6.480 -0.966 1.00 0.00 H new ATOM 1223 N VAL A 80 -5.476 -7.363 3.779 1.00 0.00 N ATOM 1224 CA VAL A 80 -5.055 -6.585 4.942 1.00 0.00 C ATOM 1225 C VAL A 80 -4.518 -7.522 6.031 1.00 0.00 C ATOM 1226 O VAL A 80 -3.412 -7.323 6.530 1.00 0.00 O ATOM 1227 CB VAL A 80 -6.216 -5.687 5.436 1.00 0.00 C ATOM 1228 CG1 VAL A 80 -5.983 -5.149 6.852 1.00 0.00 C ATOM 1229 CG2 VAL A 80 -6.444 -4.475 4.523 1.00 0.00 C ATOM 0 H VAL A 80 -6.436 -7.165 3.496 1.00 0.00 H new ATOM 0 HA VAL A 80 -4.239 -5.917 4.666 1.00 0.00 H new ATOM 0 HB VAL A 80 -7.090 -6.338 5.424 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -6.827 -4.526 7.148 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -5.886 -5.983 7.547 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -5.070 -4.555 6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -7.268 -3.877 4.912 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -5.539 -3.869 4.491 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -6.687 -4.818 3.517 1.00 0.00 H new ATOM 1239 N ASP A 81 -5.299 -8.528 6.420 1.00 0.00 N ATOM 1240 CA ASP A 81 -4.947 -9.511 7.436 1.00 0.00 C ATOM 1241 C ASP A 81 -3.671 -10.259 7.050 1.00 0.00 C ATOM 1242 O ASP A 81 -2.757 -10.391 7.863 1.00 0.00 O ATOM 1243 CB ASP A 81 -6.114 -10.497 7.620 1.00 0.00 C ATOM 1244 CG ASP A 81 -7.140 -10.095 8.691 1.00 0.00 C ATOM 1245 OD1 ASP A 81 -7.052 -8.973 9.260 1.00 0.00 O ATOM 1246 OD2 ASP A 81 -8.112 -10.870 8.878 1.00 0.00 O ATOM 0 H ASP A 81 -6.225 -8.684 6.022 1.00 0.00 H new ATOM 0 HA ASP A 81 -4.760 -8.995 8.377 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -6.631 -10.607 6.667 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -5.707 -11.475 7.877 1.00 0.00 H new ATOM 1251 N SER A 82 -3.593 -10.726 5.809 1.00 0.00 N ATOM 1252 CA SER A 82 -2.528 -11.548 5.269 1.00 0.00 C ATOM 1253 C SER A 82 -1.177 -10.816 5.273 1.00 0.00 C ATOM 1254 O SER A 82 -0.142 -11.445 5.469 1.00 0.00 O ATOM 1255 CB SER A 82 -2.932 -11.913 3.841 1.00 0.00 C ATOM 1256 OG SER A 82 -4.135 -12.650 3.745 1.00 0.00 O ATOM 0 H SER A 82 -4.315 -10.527 5.117 1.00 0.00 H new ATOM 0 HA SER A 82 -2.396 -12.436 5.887 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.034 -10.997 3.260 1.00 0.00 H new ATOM 0 HB3 SER A 82 -2.128 -12.492 3.386 1.00 0.00 H new ATOM 0 HG SER A 82 -4.893 -12.068 3.961 1.00 0.00 H new ATOM 1262 N VAL A 83 -1.144 -9.492 5.085 1.00 0.00 N ATOM 1263 CA VAL A 83 0.092 -8.713 5.207 1.00 0.00 C ATOM 1264 C VAL A 83 0.648 -8.805 6.627 1.00 0.00 C ATOM 1265 O VAL A 83 1.865 -8.867 6.793 1.00 0.00 O ATOM 1266 CB VAL A 83 -0.187 -7.260 4.769 1.00 0.00 C ATOM 1267 CG1 VAL A 83 0.857 -6.223 5.214 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -0.270 -7.232 3.239 1.00 0.00 C ATOM 0 H VAL A 83 -1.965 -8.935 4.846 1.00 0.00 H new ATOM 0 HA VAL A 83 0.861 -9.121 4.551 1.00 0.00 H new ATOM 0 HB VAL A 83 -1.117 -6.973 5.260 1.00 0.00 H new ATOM 0 HG11 VAL A 83 0.566 -5.236 4.854 1.00 0.00 H new ATOM 0 HG12 VAL A 83 0.916 -6.210 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 83 1.831 -6.487 4.801 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -0.467 -6.214 2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 83 0.674 -7.577 2.817 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -1.076 -7.886 2.906 1.00 0.00 H new ATOM 1278 N LYS A 84 -0.212 -8.856 7.644 1.00 0.00 N ATOM 1279 CA LYS A 84 0.229 -8.987 9.026 1.00 0.00 C ATOM 1280 C LYS A 84 0.869 -10.356 9.234 1.00 0.00 C ATOM 1281 O LYS A 84 1.826 -10.459 9.990 1.00 0.00 O ATOM 1282 CB LYS A 84 -0.948 -8.811 9.992 1.00 0.00 C ATOM 1283 CG LYS A 84 -1.818 -7.566 9.735 1.00 0.00 C ATOM 1284 CD LYS A 84 -3.160 -7.710 10.457 1.00 0.00 C ATOM 1285 CE LYS A 84 -4.155 -6.658 9.963 1.00 0.00 C ATOM 1286 NZ LYS A 84 -5.533 -6.948 10.410 1.00 0.00 N ATOM 0 H LYS A 84 -1.225 -8.808 7.532 1.00 0.00 H new ATOM 0 HA LYS A 84 0.962 -8.207 9.231 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.581 -9.697 9.935 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.560 -8.761 11.009 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -1.301 -6.672 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -1.983 -7.441 8.665 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -3.564 -8.708 10.288 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -3.014 -7.603 11.532 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -3.855 -5.675 10.327 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -4.128 -6.616 8.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -6.095 -6.073 10.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -5.964 -7.649 9.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -5.511 -7.326 11.379 1.00 0.00 H new ATOM 1300 N GLU A 85 0.380 -11.404 8.559 1.00 0.00 N ATOM 1301 CA GLU A 85 0.987 -12.733 8.637 1.00 0.00 C ATOM 1302 C GLU A 85 2.398 -12.708 8.054 1.00 0.00 C ATOM 1303 O GLU A 85 3.291 -13.382 8.569 1.00 0.00 O ATOM 1304 CB GLU A 85 0.143 -13.804 7.944 1.00 0.00 C ATOM 1305 CG GLU A 85 -1.281 -13.920 8.491 1.00 0.00 C ATOM 1306 CD GLU A 85 -1.406 -14.515 9.901 1.00 0.00 C ATOM 1307 OE1 GLU A 85 -0.635 -14.139 10.813 1.00 0.00 O ATOM 1308 OE2 GLU A 85 -2.341 -15.327 10.108 1.00 0.00 O ATOM 0 H GLU A 85 -0.438 -11.354 7.951 1.00 0.00 H new ATOM 0 HA GLU A 85 1.038 -13.000 9.693 1.00 0.00 H new ATOM 0 HB2 GLU A 85 0.095 -13.582 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 85 0.641 -14.768 8.047 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -1.731 -12.927 8.494 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.865 -14.533 7.805 1.00 0.00 H new ATOM 1315 N ASN A 86 2.608 -11.895 7.017 1.00 0.00 N ATOM 1316 CA ASN A 86 3.907 -11.659 6.388 1.00 0.00 C ATOM 1317 C ASN A 86 4.766 -10.673 7.190 1.00 0.00 C ATOM 1318 O ASN A 86 5.869 -10.339 6.751 1.00 0.00 O ATOM 1319 CB ASN A 86 3.729 -11.118 4.959 1.00 0.00 C ATOM 1320 CG ASN A 86 2.984 -12.034 4.002 1.00 0.00 C ATOM 1321 OD1 ASN A 86 2.430 -13.075 4.340 1.00 0.00 O ATOM 1322 ND2 ASN A 86 3.004 -11.643 2.743 1.00 0.00 N ATOM 0 H ASN A 86 1.854 -11.366 6.579 1.00 0.00 H new ATOM 0 HA ASN A 86 4.420 -12.621 6.360 1.00 0.00 H new ATOM 0 HB2 ASN A 86 3.198 -10.168 5.012 1.00 0.00 H new ATOM 0 HB3 ASN A 86 4.714 -10.910 4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 86 2.552 -12.210 2.026 1.00 0.00 H new ATOM 0 HD22 ASN A 86 3.471 -10.773 2.486 1.00 0.00 H new ATOM 1329 N ALA A 87 4.282 -10.213 8.348 1.00 0.00 N ATOM 1330 CA ALA A 87 4.919 -9.280 9.262 1.00 0.00 C ATOM 1331 C ALA A 87 5.080 -7.860 8.685 1.00 0.00 C ATOM 1332 O ALA A 87 5.958 -7.116 9.127 1.00 0.00 O ATOM 1333 CB ALA A 87 6.214 -9.889 9.819 1.00 0.00 C ATOM 0 H ALA A 87 3.368 -10.509 8.689 1.00 0.00 H new ATOM 0 HA ALA A 87 4.247 -9.125 10.107 1.00 0.00 H new ATOM 0 HB1 ALA A 87 6.684 -9.182 10.503 1.00 0.00 H new ATOM 0 HB2 ALA A 87 5.982 -10.811 10.353 1.00 0.00 H new ATOM 0 HB3 ALA A 87 6.896 -10.107 8.997 1.00 0.00 H new ATOM 1339 N GLY A 88 4.247 -7.468 7.716 1.00 0.00 N ATOM 1340 CA GLY A 88 4.191 -6.104 7.196 1.00 0.00 C ATOM 1341 C GLY A 88 3.145 -5.274 7.947 1.00 0.00 C ATOM 1342 O GLY A 88 2.288 -5.816 8.656 1.00 0.00 O ATOM 0 H GLY A 88 3.585 -8.100 7.267 1.00 0.00 H new ATOM 0 HA2 GLY A 88 5.170 -5.634 7.291 1.00 0.00 H new ATOM 0 HA3 GLY A 88 3.949 -6.125 6.133 1.00 0.00 H new ATOM 1346 N THR A 89 3.185 -3.951 7.776 1.00 0.00 N ATOM 1347 CA THR A 89 2.277 -3.016 8.441 1.00 0.00 C ATOM 1348 C THR A 89 1.046 -2.727 7.571 1.00 0.00 C ATOM 1349 O THR A 89 1.074 -2.826 6.342 1.00 0.00 O ATOM 1350 CB THR A 89 3.057 -1.742 8.814 1.00 0.00 C ATOM 1351 OG1 THR A 89 4.058 -2.071 9.745 1.00 0.00 O ATOM 1352 CG2 THR A 89 2.226 -0.645 9.494 1.00 0.00 C ATOM 0 H THR A 89 3.859 -3.493 7.163 1.00 0.00 H new ATOM 0 HA THR A 89 1.894 -3.460 9.360 1.00 0.00 H new ATOM 0 HB THR A 89 3.427 -1.360 7.863 1.00 0.00 H new ATOM 0 HG1 THR A 89 4.559 -1.264 9.985 1.00 0.00 H new ATOM 0 HG21 THR A 89 2.865 0.210 9.717 1.00 0.00 H new ATOM 0 HG22 THR A 89 1.421 -0.333 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 89 1.801 -1.032 10.420 1.00 0.00 H new ATOM 1360 N VAL A 90 -0.039 -2.301 8.216 1.00 0.00 N ATOM 1361 CA VAL A 90 -1.287 -1.877 7.601 1.00 0.00 C ATOM 1362 C VAL A 90 -1.449 -0.383 7.888 1.00 0.00 C ATOM 1363 O VAL A 90 -1.023 0.101 8.941 1.00 0.00 O ATOM 1364 CB VAL A 90 -2.423 -2.743 8.187 1.00 0.00 C ATOM 1365 CG1 VAL A 90 -3.817 -2.285 7.736 1.00 0.00 C ATOM 1366 CG2 VAL A 90 -2.223 -4.213 7.789 1.00 0.00 C ATOM 0 H VAL A 90 -0.068 -2.241 9.234 1.00 0.00 H new ATOM 0 HA VAL A 90 -1.305 -2.013 6.520 1.00 0.00 H new ATOM 0 HB VAL A 90 -2.374 -2.629 9.270 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -4.574 -2.932 8.180 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.984 -1.257 8.058 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.884 -2.341 6.650 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -3.029 -4.816 8.207 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -2.231 -4.300 6.703 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -1.267 -4.568 8.175 1.00 0.00 H new ATOM 1376 N ARG A 91 -2.070 0.362 6.972 1.00 0.00 N ATOM 1377 CA ARG A 91 -2.353 1.790 7.114 1.00 0.00 C ATOM 1378 C ARG A 91 -3.796 2.000 6.715 1.00 0.00 C ATOM 1379 O ARG A 91 -4.175 1.690 5.584 1.00 0.00 O ATOM 1380 CB ARG A 91 -1.445 2.655 6.218 1.00 0.00 C ATOM 1381 CG ARG A 91 0.058 2.480 6.444 1.00 0.00 C ATOM 1382 CD ARG A 91 0.515 3.313 7.632 1.00 0.00 C ATOM 1383 NE ARG A 91 1.859 2.954 8.095 1.00 0.00 N ATOM 1384 CZ ARG A 91 2.394 3.420 9.228 1.00 0.00 C ATOM 1385 NH1 ARG A 91 1.762 4.329 9.964 1.00 0.00 N ATOM 1386 NH2 ARG A 91 3.563 2.955 9.636 1.00 0.00 N ATOM 0 H ARG A 91 -2.399 -0.023 6.086 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.165 2.092 8.144 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -1.668 2.426 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -1.699 3.703 6.376 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.286 1.429 6.619 1.00 0.00 H new ATOM 0 HG3 ARG A 91 0.604 2.780 5.550 1.00 0.00 H new ATOM 0 HD2 ARG A 91 0.500 4.368 7.357 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -0.192 3.187 8.452 1.00 0.00 H new ATOM 0 HE ARG A 91 2.414 2.317 7.524 1.00 0.00 H new ATOM 0 HH11 ARG A 91 0.853 4.683 9.667 1.00 0.00 H new ATOM 0 HH12 ARG A 91 2.186 4.672 10.826 1.00 0.00 H new ATOM 0 HH21 ARG A 91 4.050 2.246 9.087 1.00 0.00 H new ATOM 0 HH22 ARG A 91 3.978 3.305 10.499 1.00 0.00 H new ATOM 1400 N ILE A 92 -4.583 2.537 7.637 1.00 0.00 N ATOM 1401 CA ILE A 92 -5.987 2.811 7.418 1.00 0.00 C ATOM 1402 C ILE A 92 -6.090 4.294 7.086 1.00 0.00 C ATOM 1403 O ILE A 92 -5.914 5.160 7.949 1.00 0.00 O ATOM 1404 CB ILE A 92 -6.832 2.388 8.636 1.00 0.00 C ATOM 1405 CG1 ILE A 92 -6.545 0.940 9.108 1.00 0.00 C ATOM 1406 CG2 ILE A 92 -8.314 2.575 8.276 1.00 0.00 C ATOM 1407 CD1 ILE A 92 -6.860 -0.172 8.095 1.00 0.00 C ATOM 0 H ILE A 92 -4.256 2.796 8.568 1.00 0.00 H new ATOM 0 HA ILE A 92 -6.392 2.228 6.591 1.00 0.00 H new ATOM 0 HB ILE A 92 -6.560 3.020 9.481 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -5.492 0.869 9.380 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.121 0.753 10.014 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.934 2.282 9.123 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -8.501 3.621 8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -8.560 1.954 7.414 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.621 -1.141 8.532 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -7.919 -0.141 7.839 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -6.264 -0.023 7.194 1.00 0.00 H new ATOM 1419 N PHE A 93 -6.372 4.587 5.821 1.00 0.00 N ATOM 1420 CA PHE A 93 -6.526 5.949 5.344 1.00 0.00 C ATOM 1421 C PHE A 93 -7.993 6.313 5.524 1.00 0.00 C ATOM 1422 O PHE A 93 -8.847 5.432 5.612 1.00 0.00 O ATOM 1423 CB PHE A 93 -6.173 6.008 3.854 1.00 0.00 C ATOM 1424 CG PHE A 93 -4.708 6.088 3.492 1.00 0.00 C ATOM 1425 CD1 PHE A 93 -3.693 5.481 4.261 1.00 0.00 C ATOM 1426 CD2 PHE A 93 -4.374 6.764 2.311 1.00 0.00 C ATOM 1427 CE1 PHE A 93 -2.344 5.653 3.902 1.00 0.00 C ATOM 1428 CE2 PHE A 93 -3.035 6.897 1.935 1.00 0.00 C ATOM 1429 CZ PHE A 93 -2.017 6.374 2.741 1.00 0.00 C ATOM 0 H PHE A 93 -6.500 3.880 5.097 1.00 0.00 H new ATOM 0 HA PHE A 93 -5.876 6.634 5.889 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -6.592 5.124 3.373 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -6.675 6.874 3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.951 4.885 5.124 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -5.153 7.183 1.691 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -1.562 5.232 4.517 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -2.784 7.407 1.017 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.982 6.524 2.471 1.00 0.00 H new ATOM 1439 N SER A 94 -8.296 7.603 5.626 1.00 0.00 N ATOM 1440 CA SER A 94 -9.672 8.067 5.693 1.00 0.00 C ATOM 1441 C SER A 94 -10.077 8.637 4.345 1.00 0.00 C ATOM 1442 O SER A 94 -9.320 9.432 3.781 1.00 0.00 O ATOM 1443 CB SER A 94 -9.807 9.146 6.757 1.00 0.00 C ATOM 1444 OG SER A 94 -9.128 8.824 7.955 1.00 0.00 O ATOM 0 H SER A 94 -7.600 8.348 5.664 1.00 0.00 H new ATOM 0 HA SER A 94 -10.320 7.229 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 94 -9.418 10.086 6.366 1.00 0.00 H new ATOM 0 HB3 SER A 94 -10.863 9.304 6.975 1.00 0.00 H new ATOM 0 HG SER A 94 -9.245 9.550 8.603 1.00 0.00 H new ATOM 1450 N SER A 95 -11.280 8.288 3.896 1.00 0.00 N ATOM 1451 CA SER A 95 -11.924 8.866 2.728 1.00 0.00 C ATOM 1452 C SER A 95 -11.965 10.406 2.797 1.00 0.00 C ATOM 1453 O SER A 95 -11.766 11.068 1.778 1.00 0.00 O ATOM 1454 CB SER A 95 -13.319 8.226 2.624 1.00 0.00 C ATOM 1455 OG SER A 95 -13.970 8.504 1.400 1.00 0.00 O ATOM 0 H SER A 95 -11.848 7.573 4.351 1.00 0.00 H new ATOM 0 HA SER A 95 -11.356 8.652 1.823 1.00 0.00 H new ATOM 0 HB2 SER A 95 -13.226 7.146 2.741 1.00 0.00 H new ATOM 0 HB3 SER A 95 -13.938 8.584 3.447 1.00 0.00 H new ATOM 0 HG SER A 95 -13.812 7.769 0.771 1.00 0.00 H new ATOM 1461 N LEU A 96 -12.219 11.008 3.971 1.00 0.00 N ATOM 1462 CA LEU A 96 -12.341 12.472 4.083 1.00 0.00 C ATOM 1463 C LEU A 96 -11.018 13.211 3.879 1.00 0.00 C ATOM 1464 O LEU A 96 -11.020 14.417 3.623 1.00 0.00 O ATOM 1465 CB LEU A 96 -12.862 12.885 5.467 1.00 0.00 C ATOM 1466 CG LEU A 96 -14.330 12.541 5.739 1.00 0.00 C ATOM 1467 CD1 LEU A 96 -14.619 12.848 7.210 1.00 0.00 C ATOM 1468 CD2 LEU A 96 -15.311 13.313 4.849 1.00 0.00 C ATOM 0 H LEU A 96 -12.343 10.508 4.851 1.00 0.00 H new ATOM 0 HA LEU A 96 -13.037 12.748 3.291 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -12.246 12.406 6.228 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.730 13.961 5.581 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.477 11.486 5.508 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -15.660 12.612 7.433 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -13.967 12.246 7.842 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -14.437 13.905 7.404 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -16.332 13.021 5.094 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.189 14.383 5.016 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -15.110 13.084 3.802 1.00 0.00 H new ATOM 1480 N HIS A 97 -9.886 12.548 4.104 1.00 0.00 N ATOM 1481 CA HIS A 97 -8.572 13.135 4.015 1.00 0.00 C ATOM 1482 C HIS A 97 -8.080 13.078 2.567 1.00 0.00 C ATOM 1483 O HIS A 97 -8.345 12.102 1.864 1.00 0.00 O ATOM 1484 CB HIS A 97 -7.664 12.334 4.956 1.00 0.00 C ATOM 1485 CG HIS A 97 -6.450 13.118 5.336 1.00 0.00 C ATOM 1486 ND1 HIS A 97 -5.149 12.890 4.960 1.00 0.00 N ATOM 1487 CD2 HIS A 97 -6.498 14.269 6.063 1.00 0.00 C ATOM 1488 CE1 HIS A 97 -4.419 13.912 5.439 1.00 0.00 C ATOM 1489 NE2 HIS A 97 -5.195 14.781 6.117 1.00 0.00 N ATOM 0 H HIS A 97 -9.868 11.561 4.360 1.00 0.00 H new ATOM 0 HA HIS A 97 -8.575 14.185 4.309 1.00 0.00 H new ATOM 0 HB2 HIS A 97 -8.218 12.060 5.854 1.00 0.00 H new ATOM 0 HB3 HIS A 97 -7.363 11.405 4.471 1.00 0.00 H new ATOM 0 HD2 HIS A 97 -7.377 14.706 6.514 1.00 0.00 H new ATOM 0 HE1 HIS A 97 -3.354 14.022 5.299 1.00 0.00 H new ATOM 0 HE2 HIS A 97 -4.894 15.640 6.577 1.00 0.00 H new ATOM 1497 N VAL A 98 -7.264 14.043 2.125 1.00 0.00 N ATOM 1498 CA VAL A 98 -6.770 14.058 0.745 1.00 0.00 C ATOM 1499 C VAL A 98 -5.911 12.823 0.436 1.00 0.00 C ATOM 1500 O VAL A 98 -5.703 12.497 -0.731 1.00 0.00 O ATOM 1501 CB VAL A 98 -6.024 15.376 0.439 1.00 0.00 C ATOM 1502 CG1 VAL A 98 -4.543 15.322 0.854 1.00 0.00 C ATOM 1503 CG2 VAL A 98 -6.140 15.713 -1.055 1.00 0.00 C ATOM 0 H VAL A 98 -6.934 14.818 2.700 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.633 14.011 0.081 1.00 0.00 H new ATOM 0 HB VAL A 98 -6.497 16.160 1.031 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -4.064 16.272 0.618 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -4.472 15.136 1.926 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.043 14.519 0.313 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -5.611 16.644 -1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -5.701 14.908 -1.645 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.191 15.827 -1.322 1.00 0.00 H new ATOM 1513 N SER A 99 -5.423 12.116 1.460 1.00 0.00 N ATOM 1514 CA SER A 99 -4.731 10.857 1.270 1.00 0.00 C ATOM 1515 C SER A 99 -5.623 9.854 0.520 1.00 0.00 C ATOM 1516 O SER A 99 -5.095 9.112 -0.299 1.00 0.00 O ATOM 1517 CB SER A 99 -4.240 10.331 2.625 1.00 0.00 C ATOM 1518 OG SER A 99 -5.283 10.281 3.586 1.00 0.00 O ATOM 0 H SER A 99 -5.501 12.406 2.435 1.00 0.00 H new ATOM 0 HA SER A 99 -3.852 11.008 0.643 1.00 0.00 H new ATOM 0 HB2 SER A 99 -3.818 9.334 2.496 1.00 0.00 H new ATOM 0 HB3 SER A 99 -3.438 10.971 2.993 1.00 0.00 H new ATOM 0 HG SER A 99 -5.273 11.101 4.123 1.00 0.00 H new ATOM 1524 N GLY A 100 -6.946 9.858 0.742 1.00 0.00 N ATOM 1525 CA GLY A 100 -7.898 9.020 0.021 1.00 0.00 C ATOM 1526 C GLY A 100 -8.049 9.494 -1.423 1.00 0.00 C ATOM 1527 O GLY A 100 -7.973 8.688 -2.346 1.00 0.00 O ATOM 0 H GLY A 100 -7.385 10.457 1.441 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -7.561 7.983 0.035 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -8.866 9.048 0.521 1.00 0.00 H new ATOM 1531 N GLU A 101 -8.169 10.808 -1.641 1.00 0.00 N ATOM 1532 CA GLU A 101 -8.208 11.407 -2.978 1.00 0.00 C ATOM 1533 C GLU A 101 -6.964 11.020 -3.788 1.00 0.00 C ATOM 1534 O GLU A 101 -7.036 10.803 -4.998 1.00 0.00 O ATOM 1535 CB GLU A 101 -8.297 12.934 -2.868 1.00 0.00 C ATOM 1536 CG GLU A 101 -9.672 13.419 -2.409 1.00 0.00 C ATOM 1537 CD GLU A 101 -10.653 13.413 -3.581 1.00 0.00 C ATOM 1538 OE1 GLU A 101 -11.302 12.376 -3.809 1.00 0.00 O ATOM 1539 OE2 GLU A 101 -10.709 14.433 -4.315 1.00 0.00 O ATOM 0 H GLU A 101 -8.242 11.491 -0.887 1.00 0.00 H new ATOM 0 HA GLU A 101 -9.090 11.028 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 101 -7.540 13.287 -2.167 1.00 0.00 H new ATOM 0 HB3 GLU A 101 -8.066 13.377 -3.837 1.00 0.00 H new ATOM 0 HG2 GLU A 101 -10.044 12.777 -1.611 1.00 0.00 H new ATOM 0 HG3 GLU A 101 -9.592 14.425 -1.998 1.00 0.00 H new ATOM 1546 N GLN A 102 -5.795 10.959 -3.142 1.00 0.00 N ATOM 1547 CA GLN A 102 -4.573 10.553 -3.806 1.00 0.00 C ATOM 1548 C GLN A 102 -4.505 9.053 -4.009 1.00 0.00 C ATOM 1549 O GLN A 102 -3.980 8.604 -5.025 1.00 0.00 O ATOM 1550 CB GLN A 102 -3.365 11.025 -3.038 1.00 0.00 C ATOM 1551 CG GLN A 102 -3.242 12.541 -2.967 1.00 0.00 C ATOM 1552 CD GLN A 102 -3.878 13.335 -4.114 1.00 0.00 C ATOM 1553 OE1 GLN A 102 -3.279 13.549 -5.160 1.00 0.00 O ATOM 1554 NE2 GLN A 102 -5.103 13.811 -3.959 1.00 0.00 N ATOM 0 H GLN A 102 -5.679 11.189 -2.155 1.00 0.00 H new ATOM 0 HA GLN A 102 -4.576 11.021 -4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -3.410 10.625 -2.025 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -2.467 10.617 -3.503 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -3.690 12.876 -2.031 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -2.183 12.795 -2.923 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.611 13.639 -3.092 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -5.539 14.350 -4.707 1.00 0.00 H new ATOM 1563 N LEU A 103 -4.993 8.272 -3.049 1.00 0.00 N ATOM 1564 CA LEU A 103 -5.037 6.834 -3.202 1.00 0.00 C ATOM 1565 C LEU A 103 -5.992 6.444 -4.324 1.00 0.00 C ATOM 1566 O LEU A 103 -5.733 5.456 -4.990 1.00 0.00 O ATOM 1567 CB LEU A 103 -5.430 6.153 -1.880 1.00 0.00 C ATOM 1568 CG LEU A 103 -4.783 4.776 -1.691 1.00 0.00 C ATOM 1569 CD1 LEU A 103 -3.262 4.748 -1.814 1.00 0.00 C ATOM 1570 CD2 LEU A 103 -5.148 4.233 -0.305 1.00 0.00 C ATOM 0 H LEU A 103 -5.361 8.616 -2.162 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.039 6.488 -3.470 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -5.145 6.798 -1.049 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -6.514 6.045 -1.843 1.00 0.00 H new ATOM 0 HG LEU A 103 -5.174 4.165 -2.505 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -2.904 3.730 -1.664 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -2.971 5.093 -2.806 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -2.824 5.402 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -4.690 3.254 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.783 4.917 0.461 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -6.231 4.142 -0.224 1.00 0.00 H new ATOM 1582 N SER A 104 -7.063 7.204 -4.555 1.00 0.00 N ATOM 1583 CA SER A 104 -8.089 6.954 -5.568 1.00 0.00 C ATOM 1584 C SER A 104 -7.472 6.836 -6.969 1.00 0.00 C ATOM 1585 O SER A 104 -7.809 5.921 -7.719 1.00 0.00 O ATOM 1586 CB SER A 104 -9.141 8.068 -5.492 1.00 0.00 C ATOM 1587 OG SER A 104 -10.217 7.788 -6.360 1.00 0.00 O ATOM 0 H SER A 104 -7.247 8.050 -4.016 1.00 0.00 H new ATOM 0 HA SER A 104 -8.575 5.999 -5.369 1.00 0.00 H new ATOM 0 HB2 SER A 104 -9.506 8.163 -4.469 1.00 0.00 H new ATOM 0 HB3 SER A 104 -8.689 9.023 -5.759 1.00 0.00 H new ATOM 0 HG SER A 104 -10.881 8.506 -6.300 1.00 0.00 H new ATOM 1593 N GLN A 105 -6.490 7.689 -7.289 1.00 0.00 N ATOM 1594 CA GLN A 105 -5.711 7.636 -8.532 1.00 0.00 C ATOM 1595 C GLN A 105 -4.989 6.285 -8.706 1.00 0.00 C ATOM 1596 O GLN A 105 -4.563 5.930 -9.806 1.00 0.00 O ATOM 1597 CB GLN A 105 -4.710 8.807 -8.521 1.00 0.00 C ATOM 1598 CG GLN A 105 -5.396 10.179 -8.645 1.00 0.00 C ATOM 1599 CD GLN A 105 -4.557 11.311 -8.050 1.00 0.00 C ATOM 1600 OE1 GLN A 105 -3.477 11.647 -8.530 1.00 0.00 O ATOM 1601 NE2 GLN A 105 -5.028 11.941 -6.987 1.00 0.00 N ATOM 0 H GLN A 105 -6.209 8.454 -6.675 1.00 0.00 H new ATOM 0 HA GLN A 105 -6.386 7.728 -9.383 1.00 0.00 H new ATOM 0 HB2 GLN A 105 -4.133 8.777 -7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 105 -4.004 8.683 -9.342 1.00 0.00 H new ATOM 0 HG2 GLN A 105 -5.591 10.390 -9.696 1.00 0.00 H new ATOM 0 HG3 GLN A 105 -6.362 10.145 -8.142 1.00 0.00 H new ATOM 0 HE21 GLN A 105 -5.924 11.665 -6.586 1.00 0.00 H new ATOM 0 HE22 GLN A 105 -4.495 12.703 -6.568 1.00 0.00 H new ATOM 1610 N LEU A 106 -4.885 5.507 -7.629 1.00 0.00 N ATOM 1611 CA LEU A 106 -4.253 4.208 -7.497 1.00 0.00 C ATOM 1612 C LEU A 106 -5.281 3.208 -6.943 1.00 0.00 C ATOM 1613 O LEU A 106 -4.952 2.362 -6.113 1.00 0.00 O ATOM 1614 CB LEU A 106 -3.039 4.316 -6.560 1.00 0.00 C ATOM 1615 CG LEU A 106 -2.011 5.405 -6.899 1.00 0.00 C ATOM 1616 CD1 LEU A 106 -1.140 5.604 -5.665 1.00 0.00 C ATOM 1617 CD2 LEU A 106 -1.161 5.029 -8.115 1.00 0.00 C ATOM 0 H LEU A 106 -5.284 5.808 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.905 3.859 -8.469 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -3.403 4.493 -5.548 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -2.527 3.354 -6.551 1.00 0.00 H new ATOM 0 HG LEU A 106 -2.524 6.329 -7.164 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.394 6.373 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -1.763 5.914 -4.826 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -0.639 4.668 -5.419 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.447 5.827 -8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -0.623 4.104 -7.910 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -1.807 4.889 -8.981 1.00 0.00 H new ATOM 1629 N THR A 107 -6.547 3.308 -7.356 1.00 0.00 N ATOM 1630 CA THR A 107 -7.658 2.411 -7.009 1.00 0.00 C ATOM 1631 C THR A 107 -8.075 2.445 -5.524 1.00 0.00 C ATOM 1632 O THR A 107 -8.870 1.617 -5.082 1.00 0.00 O ATOM 1633 CB THR A 107 -7.422 0.984 -7.560 1.00 0.00 C ATOM 1634 OG1 THR A 107 -6.336 0.330 -6.953 1.00 0.00 O ATOM 1635 CG2 THR A 107 -7.132 0.964 -9.064 1.00 0.00 C ATOM 0 H THR A 107 -6.844 4.060 -7.978 1.00 0.00 H new ATOM 0 HA THR A 107 -8.536 2.809 -7.518 1.00 0.00 H new ATOM 0 HB THR A 107 -8.357 0.471 -7.336 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.936 0.918 -6.278 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.975 -0.064 -9.391 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.977 1.391 -9.603 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.237 1.550 -9.270 1.00 0.00 H new ATOM 1643 N GLY A 108 -7.548 3.394 -4.749 1.00 0.00 N ATOM 1644 CA GLY A 108 -7.712 3.545 -3.308 1.00 0.00 C ATOM 1645 C GLY A 108 -7.052 2.427 -2.502 1.00 0.00 C ATOM 1646 O GLY A 108 -7.310 2.301 -1.301 1.00 0.00 O ATOM 0 H GLY A 108 -6.955 4.126 -5.141 1.00 0.00 H new ATOM 0 HA2 GLY A 108 -7.291 4.502 -3.000 1.00 0.00 H new ATOM 0 HA3 GLY A 108 -8.776 3.574 -3.072 1.00 0.00 H new ATOM 1650 N VAL A 109 -6.159 1.649 -3.121 1.00 0.00 N ATOM 1651 CA VAL A 109 -5.500 0.527 -2.483 1.00 0.00 C ATOM 1652 C VAL A 109 -4.123 0.323 -3.142 1.00 0.00 C ATOM 1653 O VAL A 109 -4.018 -0.005 -4.328 1.00 0.00 O ATOM 1654 CB VAL A 109 -6.467 -0.679 -2.506 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -6.794 -1.193 -3.910 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -5.916 -1.799 -1.645 1.00 0.00 C ATOM 0 H VAL A 109 -5.876 1.790 -4.091 1.00 0.00 H new ATOM 0 HA VAL A 109 -5.278 0.692 -1.429 1.00 0.00 H new ATOM 0 HB VAL A 109 -7.412 -0.320 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.478 -2.039 -3.838 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -7.262 -0.397 -4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -5.876 -1.510 -4.404 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -6.603 -2.645 -1.666 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -4.945 -2.110 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -5.804 -1.448 -0.619 1.00 0.00 H new ATOM 1666 N ALA A 110 -3.053 0.588 -2.387 1.00 0.00 N ATOM 1667 CA ALA A 110 -1.663 0.514 -2.826 1.00 0.00 C ATOM 1668 C ALA A 110 -0.802 -0.029 -1.685 1.00 0.00 C ATOM 1669 O ALA A 110 -1.319 -0.258 -0.593 1.00 0.00 O ATOM 1670 CB ALA A 110 -1.195 1.900 -3.276 1.00 0.00 C ATOM 0 H ALA A 110 -3.139 0.872 -1.411 1.00 0.00 H new ATOM 0 HA ALA A 110 -1.569 -0.164 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -0.157 1.845 -3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -1.818 2.244 -4.101 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -1.276 2.599 -2.444 1.00 0.00 H new ATOM 1676 N ALA A 111 0.485 -0.292 -1.900 1.00 0.00 N ATOM 1677 CA ALA A 111 1.377 -0.780 -0.855 1.00 0.00 C ATOM 1678 C ALA A 111 2.839 -0.616 -1.286 1.00 0.00 C ATOM 1679 O ALA A 111 3.168 -0.792 -2.461 1.00 0.00 O ATOM 1680 CB ALA A 111 1.044 -2.253 -0.570 1.00 0.00 C ATOM 0 H ALA A 111 0.938 -0.172 -2.806 1.00 0.00 H new ATOM 0 HA ALA A 111 1.236 -0.200 0.057 1.00 0.00 H new ATOM 0 HB1 ALA A 111 1.704 -2.631 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 111 0.008 -2.335 -0.240 1.00 0.00 H new ATOM 0 HB3 ALA A 111 1.183 -2.840 -1.478 1.00 0.00 H new ATOM 1686 N ILE A 112 3.727 -0.345 -0.330 1.00 0.00 N ATOM 1687 CA ILE A 112 5.173 -0.232 -0.528 1.00 0.00 C ATOM 1688 C ILE A 112 5.766 -1.641 -0.480 1.00 0.00 C ATOM 1689 O ILE A 112 5.235 -2.520 0.211 1.00 0.00 O ATOM 1690 CB ILE A 112 5.783 0.683 0.570 1.00 0.00 C ATOM 1691 CG1 ILE A 112 5.277 2.127 0.361 1.00 0.00 C ATOM 1692 CG2 ILE A 112 7.324 0.616 0.564 1.00 0.00 C ATOM 1693 CD1 ILE A 112 5.699 3.149 1.424 1.00 0.00 C ATOM 0 H ILE A 112 3.450 -0.192 0.640 1.00 0.00 H new ATOM 0 HA ILE A 112 5.402 0.221 -1.493 1.00 0.00 H new ATOM 0 HB ILE A 112 5.460 0.332 1.550 1.00 0.00 H new ATOM 0 HG12 ILE A 112 5.628 2.477 -0.610 1.00 0.00 H new ATOM 0 HG13 ILE A 112 4.188 2.106 0.318 1.00 0.00 H new ATOM 0 HG21 ILE A 112 7.720 1.267 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 112 7.644 -0.409 0.750 1.00 0.00 H new ATOM 0 HG23 ILE A 112 7.699 0.943 -0.406 1.00 0.00 H new ATOM 0 HD11 ILE A 112 5.286 4.126 1.173 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.324 2.836 2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 112 6.787 3.212 1.457 1.00 0.00 H new ATOM 1705 N LEU A 113 6.886 -1.850 -1.171 1.00 0.00 N ATOM 1706 CA LEU A 113 7.623 -3.100 -1.163 1.00 0.00 C ATOM 1707 C LEU A 113 9.017 -2.899 -0.584 1.00 0.00 C ATOM 1708 O LEU A 113 9.724 -1.941 -0.914 1.00 0.00 O ATOM 1709 CB LEU A 113 7.715 -3.691 -2.574 1.00 0.00 C ATOM 1710 CG LEU A 113 6.347 -3.976 -3.217 1.00 0.00 C ATOM 1711 CD1 LEU A 113 6.404 -4.216 -4.721 1.00 0.00 C ATOM 1712 CD2 LEU A 113 5.745 -5.235 -2.616 1.00 0.00 C ATOM 0 H LEU A 113 7.310 -1.136 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 113 7.082 -3.804 -0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 113 8.269 -3.002 -3.211 1.00 0.00 H new ATOM 0 HB3 LEU A 113 8.287 -4.618 -2.533 1.00 0.00 H new ATOM 0 HG LEU A 113 5.755 -3.082 -3.024 1.00 0.00 H new ATOM 0 HD11 LEU A 113 5.399 -4.409 -5.097 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.813 -3.334 -5.215 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.041 -5.076 -4.928 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.776 -5.431 -3.076 1.00 0.00 H new ATOM 0 HD22 LEU A 113 6.410 -6.079 -2.798 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.616 -5.100 -1.542 1.00 0.00 H new ATOM 1724 N ARG A 114 9.442 -3.856 0.240 1.00 0.00 N ATOM 1725 CA ARG A 114 10.788 -3.944 0.799 1.00 0.00 C ATOM 1726 C ARG A 114 11.813 -4.081 -0.321 1.00 0.00 C ATOM 1727 O ARG A 114 12.855 -3.439 -0.277 1.00 0.00 O ATOM 1728 CB ARG A 114 10.884 -5.138 1.768 1.00 0.00 C ATOM 1729 CG ARG A 114 9.808 -5.106 2.863 1.00 0.00 C ATOM 1730 CD ARG A 114 10.026 -6.175 3.933 1.00 0.00 C ATOM 1731 NE ARG A 114 10.553 -5.562 5.168 1.00 0.00 N ATOM 1732 CZ ARG A 114 11.757 -5.742 5.724 1.00 0.00 C ATOM 1733 NH1 ARG A 114 12.569 -6.697 5.292 1.00 0.00 N ATOM 1734 NH2 ARG A 114 12.122 -4.949 6.723 1.00 0.00 N ATOM 0 H ARG A 114 8.836 -4.617 0.547 1.00 0.00 H new ATOM 0 HA ARG A 114 11.001 -3.030 1.354 1.00 0.00 H new ATOM 0 HB2 ARG A 114 10.793 -6.066 1.203 1.00 0.00 H new ATOM 0 HB3 ARG A 114 11.869 -5.143 2.234 1.00 0.00 H new ATOM 0 HG2 ARG A 114 9.803 -4.123 3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 114 8.828 -5.247 2.408 1.00 0.00 H new ATOM 0 HD2 ARG A 114 9.086 -6.685 4.144 1.00 0.00 H new ATOM 0 HD3 ARG A 114 10.723 -6.929 3.567 1.00 0.00 H new ATOM 0 HE ARG A 114 9.924 -4.925 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 114 12.279 -7.306 4.527 1.00 0.00 H new ATOM 0 HH12 ARG A 114 13.484 -6.823 5.725 1.00 0.00 H new ATOM 0 HH21 ARG A 114 11.489 -4.220 7.053 1.00 0.00 H new ATOM 0 HH22 ARG A 114 13.035 -5.068 7.161 1.00 0.00 H new ATOM 1748 N PHE A 115 11.513 -4.896 -1.327 1.00 0.00 N ATOM 1749 CA PHE A 115 12.380 -5.213 -2.450 1.00 0.00 C ATOM 1750 C PHE A 115 11.521 -5.239 -3.716 1.00 0.00 C ATOM 1751 O PHE A 115 10.307 -5.424 -3.613 1.00 0.00 O ATOM 1752 CB PHE A 115 13.076 -6.559 -2.186 1.00 0.00 C ATOM 1753 CG PHE A 115 12.192 -7.663 -1.640 1.00 0.00 C ATOM 1754 CD1 PHE A 115 11.377 -8.438 -2.492 1.00 0.00 C ATOM 1755 CD2 PHE A 115 12.216 -7.930 -0.259 1.00 0.00 C ATOM 1756 CE1 PHE A 115 10.660 -9.520 -1.958 1.00 0.00 C ATOM 1757 CE2 PHE A 115 11.460 -8.984 0.276 1.00 0.00 C ATOM 1758 CZ PHE A 115 10.693 -9.789 -0.578 1.00 0.00 C ATOM 0 H PHE A 115 10.614 -5.375 -1.381 1.00 0.00 H new ATOM 0 HA PHE A 115 13.162 -4.465 -2.580 1.00 0.00 H new ATOM 0 HB2 PHE A 115 13.523 -6.905 -3.118 1.00 0.00 H new ATOM 0 HB3 PHE A 115 13.893 -6.393 -1.484 1.00 0.00 H new ATOM 0 HD1 PHE A 115 11.306 -8.201 -3.543 1.00 0.00 H new ATOM 0 HD2 PHE A 115 12.821 -7.319 0.394 1.00 0.00 H new ATOM 0 HE1 PHE A 115 10.078 -10.152 -2.613 1.00 0.00 H new ATOM 0 HE2 PHE A 115 11.469 -9.174 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 115 10.127 -10.616 -0.176 1.00 0.00 H new ATOM 1768 N PRO A 116 12.111 -5.047 -4.904 1.00 0.00 N ATOM 1769 CA PRO A 116 11.372 -5.007 -6.152 1.00 0.00 C ATOM 1770 C PRO A 116 10.818 -6.398 -6.440 1.00 0.00 C ATOM 1771 O PRO A 116 11.565 -7.383 -6.429 1.00 0.00 O ATOM 1772 CB PRO A 116 12.370 -4.523 -7.202 1.00 0.00 C ATOM 1773 CG PRO A 116 13.721 -4.951 -6.654 1.00 0.00 C ATOM 1774 CD PRO A 116 13.538 -4.936 -5.141 1.00 0.00 C ATOM 0 HA PRO A 116 10.512 -4.337 -6.135 1.00 0.00 H new ATOM 0 HB2 PRO A 116 12.174 -4.973 -8.175 1.00 0.00 H new ATOM 0 HB3 PRO A 116 12.317 -3.442 -7.334 1.00 0.00 H new ATOM 0 HG2 PRO A 116 13.999 -5.943 -7.011 1.00 0.00 H new ATOM 0 HG3 PRO A 116 14.511 -4.268 -6.966 1.00 0.00 H new ATOM 0 HD2 PRO A 116 14.075 -5.763 -4.676 1.00 0.00 H new ATOM 0 HD3 PRO A 116 13.934 -4.016 -4.710 1.00 0.00 H new ATOM 1782 N VAL A 117 9.508 -6.493 -6.642 1.00 0.00 N ATOM 1783 CA VAL A 117 8.867 -7.747 -7.005 1.00 0.00 C ATOM 1784 C VAL A 117 9.128 -7.956 -8.504 1.00 0.00 C ATOM 1785 O VAL A 117 8.848 -7.049 -9.291 1.00 0.00 O ATOM 1786 CB VAL A 117 7.366 -7.667 -6.687 1.00 0.00 C ATOM 1787 CG1 VAL A 117 6.574 -8.865 -7.234 1.00 0.00 C ATOM 1788 CG2 VAL A 117 7.085 -7.595 -5.180 1.00 0.00 C ATOM 0 H VAL A 117 8.865 -5.705 -6.559 1.00 0.00 H new ATOM 0 HA VAL A 117 9.264 -8.591 -6.442 1.00 0.00 H new ATOM 0 HB VAL A 117 7.040 -6.749 -7.177 1.00 0.00 H new ATOM 0 HG11 VAL A 117 5.521 -8.752 -6.978 1.00 0.00 H new ATOM 0 HG12 VAL A 117 6.682 -8.908 -8.318 1.00 0.00 H new ATOM 0 HG13 VAL A 117 6.957 -9.786 -6.795 1.00 0.00 H new ATOM 0 HG21 VAL A 117 6.009 -7.540 -5.013 1.00 0.00 H new ATOM 0 HG22 VAL A 117 7.483 -8.485 -4.693 1.00 0.00 H new ATOM 0 HG23 VAL A 117 7.563 -6.709 -4.763 1.00 0.00 H new