USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 652 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 87 SER OG : rot 118:sc= 0.409 USER MOD Set 1.2: A 91 HIS : no HD1:sc= -0.935 X(o=-0.53,f=-0.44) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 157:sc=-0.00642 (180deg=-0.132) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.219 USER MOD Single : A 29 GLN : amide:sc= -1.76 K(o=-1.8,f=-0.47) USER MOD Single : A 35 CYS SG : rot 180:sc= 0.0283 USER MOD Single : A 38 GLN : amide:sc= -0.601 X(o=-0.6,f=-0.1) USER MOD Single : A 44 MET CE :methyl -138:sc= -3.08! (180deg=-4.66!) USER MOD Single : A 46 HIS : no HD1:sc= -0.487 X(o=-0.49,f=-0.3) USER MOD Single : A 49 ASN : amide:sc= -0.139 K(o=-0.14,f=-1.8!) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -133:sc= -0.147 (180deg=-1.53!) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 81 SER OG : rot -120:sc= -1.42 USER MOD Single : A 82 GLN : amide:sc= -0.709 K(o=-0.71,f=-0.18) USER MOD Single : A 83 THR OG1 : rot 101:sc= 1.05 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 186 N PHE A 17 -6.283 9.206 3.458 1.00 0.00 N ATOM 187 CA PHE A 17 -6.665 8.148 2.529 1.00 0.00 C ATOM 188 C PHE A 17 -6.963 6.851 3.274 1.00 0.00 C ATOM 189 O PHE A 17 -8.101 6.381 3.292 1.00 0.00 O ATOM 190 CB PHE A 17 -5.555 7.918 1.502 1.00 0.00 C ATOM 191 CG PHE A 17 -5.255 9.124 0.660 1.00 0.00 C ATOM 192 CD1 PHE A 17 -6.282 9.860 0.092 1.00 0.00 C ATOM 193 CD2 PHE A 17 -3.947 9.523 0.437 1.00 0.00 C ATOM 194 CE1 PHE A 17 -6.011 10.971 -0.684 1.00 0.00 C ATOM 195 CE2 PHE A 17 -3.669 10.633 -0.337 1.00 0.00 C ATOM 196 CZ PHE A 17 -4.703 11.358 -0.898 1.00 0.00 C ATOM 0 HA PHE A 17 -7.570 8.463 2.010 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.647 7.614 2.023 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -5.840 7.092 0.850 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.307 9.562 0.258 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.135 8.960 0.873 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.821 11.535 -1.122 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -2.645 10.934 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.488 12.226 -1.503 1.00 0.00 H new ATOM 206 N ILE A 18 -5.933 6.277 3.887 1.00 0.00 N ATOM 207 CA ILE A 18 -6.084 5.033 4.632 1.00 0.00 C ATOM 208 C ILE A 18 -5.881 5.262 6.126 1.00 0.00 C ATOM 209 O ILE A 18 -5.059 6.083 6.533 1.00 0.00 O ATOM 210 CB ILE A 18 -5.087 3.962 4.146 1.00 0.00 C ATOM 211 CG1 ILE A 18 -5.164 3.813 2.625 1.00 0.00 C ATOM 212 CG2 ILE A 18 -5.366 2.630 4.828 1.00 0.00 C ATOM 213 CD1 ILE A 18 -3.838 3.468 1.985 1.00 0.00 C ATOM 0 H ILE A 18 -4.985 6.654 3.882 1.00 0.00 H new ATOM 0 HA ILE A 18 -7.099 4.678 4.456 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.079 4.280 4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -5.889 3.037 2.380 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -5.535 4.743 2.195 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.654 1.884 4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -5.265 2.746 5.907 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -6.379 2.305 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -3.967 3.378 0.906 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -3.115 4.255 2.199 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -3.475 2.522 2.387 1.00 0.00 H new ATOM 225 N THR A 19 -6.638 4.531 6.939 1.00 0.00 N ATOM 226 CA THR A 19 -6.543 4.654 8.388 1.00 0.00 C ATOM 227 C THR A 19 -6.054 3.352 9.014 1.00 0.00 C ATOM 228 O THR A 19 -5.939 2.331 8.336 1.00 0.00 O ATOM 229 CB THR A 19 -7.902 5.037 8.978 1.00 0.00 C ATOM 230 OG1 THR A 19 -8.624 5.859 8.078 1.00 0.00 O ATOM 231 CG2 THR A 19 -7.796 5.777 10.293 1.00 0.00 C ATOM 0 H THR A 19 -7.324 3.848 6.618 1.00 0.00 H new ATOM 0 HA THR A 19 -5.821 5.439 8.614 1.00 0.00 H new ATOM 0 HB THR A 19 -8.419 4.093 9.153 1.00 0.00 H new ATOM 0 HG1 THR A 19 -9.491 6.092 8.471 1.00 0.00 H new ATOM 0 HG21 THR A 19 -8.795 6.019 10.656 1.00 0.00 H new ATOM 0 HG22 THR A 19 -7.286 5.149 11.024 1.00 0.00 H new ATOM 0 HG23 THR A 19 -7.230 6.697 10.148 1.00 0.00 H new ATOM 239 N LYS A 20 -5.768 3.395 10.311 1.00 0.00 N ATOM 240 CA LYS A 20 -5.292 2.217 11.028 1.00 0.00 C ATOM 241 C LYS A 20 -6.373 1.143 11.088 1.00 0.00 C ATOM 242 O LYS A 20 -6.076 -0.051 11.087 1.00 0.00 O ATOM 243 CB LYS A 20 -4.856 2.599 12.444 1.00 0.00 C ATOM 244 CG LYS A 20 -3.637 1.833 12.932 1.00 0.00 C ATOM 245 CD LYS A 20 -2.351 2.591 12.647 1.00 0.00 C ATOM 246 CE LYS A 20 -1.157 1.937 13.323 1.00 0.00 C ATOM 247 NZ LYS A 20 -0.037 2.897 13.524 1.00 0.00 N ATOM 0 H LYS A 20 -5.857 4.232 10.887 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.435 1.814 10.488 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.639 3.667 12.473 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -5.684 2.423 13.130 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -3.724 1.653 14.003 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.601 0.858 12.447 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.183 2.633 11.571 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.449 3.619 12.995 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.464 1.530 14.287 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.812 1.098 12.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.757 2.412 13.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.273 3.266 12.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.358 3.685 14.122 1.00 0.00 H new ATOM 261 N GLU A 21 -7.628 1.578 11.141 1.00 0.00 N ATOM 262 CA GLU A 21 -8.755 0.655 11.202 1.00 0.00 C ATOM 263 C GLU A 21 -8.859 -0.164 9.918 1.00 0.00 C ATOM 264 O GLU A 21 -9.300 -1.312 9.937 1.00 0.00 O ATOM 265 CB GLU A 21 -10.057 1.424 11.441 1.00 0.00 C ATOM 266 CG GLU A 21 -10.585 1.297 12.861 1.00 0.00 C ATOM 267 CD GLU A 21 -10.543 2.610 13.619 1.00 0.00 C ATOM 268 OE1 GLU A 21 -11.089 3.610 13.105 1.00 0.00 O ATOM 269 OE2 GLU A 21 -9.965 2.639 14.725 1.00 0.00 O ATOM 0 H GLU A 21 -7.890 2.564 11.143 1.00 0.00 H new ATOM 0 HA GLU A 21 -8.588 -0.030 12.033 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -9.894 2.478 11.216 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.815 1.063 10.746 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -11.611 0.932 12.832 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -9.997 0.553 13.398 1.00 0.00 H new ATOM 276 N LYS A 22 -8.453 0.438 8.805 1.00 0.00 N ATOM 277 CA LYS A 22 -8.503 -0.236 7.512 1.00 0.00 C ATOM 278 C LYS A 22 -7.376 -1.257 7.385 1.00 0.00 C ATOM 279 O LYS A 22 -7.584 -2.364 6.889 1.00 0.00 O ATOM 280 CB LYS A 22 -8.413 0.788 6.377 1.00 0.00 C ATOM 281 CG LYS A 22 -9.768 1.220 5.841 1.00 0.00 C ATOM 282 CD LYS A 22 -9.631 2.322 4.803 1.00 0.00 C ATOM 283 CE LYS A 22 -10.789 3.306 4.878 1.00 0.00 C ATOM 284 NZ LYS A 22 -11.343 3.614 3.531 1.00 0.00 N ATOM 0 H LYS A 22 -8.086 1.389 8.772 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.454 -0.764 7.441 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -7.875 1.667 6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -7.827 0.364 5.562 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -10.275 0.363 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.391 1.569 6.664 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -8.691 2.852 4.956 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.590 1.882 3.807 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -11.576 2.893 5.509 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -10.452 4.228 5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -12.130 4.288 3.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -10.599 4.032 2.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -11.688 2.738 3.089 1.00 0.00 H new ATOM 298 N LYS A 23 -6.186 -0.877 7.834 1.00 0.00 N ATOM 299 CA LYS A 23 -5.028 -1.762 7.769 1.00 0.00 C ATOM 300 C LYS A 23 -5.254 -3.017 8.606 1.00 0.00 C ATOM 301 O LYS A 23 -4.912 -4.123 8.188 1.00 0.00 O ATOM 302 CB LYS A 23 -3.773 -1.031 8.252 1.00 0.00 C ATOM 303 CG LYS A 23 -2.977 -0.382 7.130 1.00 0.00 C ATOM 304 CD LYS A 23 -3.080 1.134 7.173 1.00 0.00 C ATOM 305 CE LYS A 23 -1.910 1.749 7.924 1.00 0.00 C ATOM 306 NZ LYS A 23 -2.304 2.989 8.649 1.00 0.00 N ATOM 0 H LYS A 23 -5.997 0.036 8.247 1.00 0.00 H new ATOM 0 HA LYS A 23 -4.889 -2.061 6.730 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.063 -0.265 8.971 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -3.132 -1.737 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.931 -0.678 7.207 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.341 -0.745 6.169 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.109 1.527 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -4.015 1.423 7.653 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -1.513 1.024 8.635 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -1.108 1.978 7.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.639 3.160 9.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.283 3.796 7.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.265 2.878 9.030 1.00 0.00 H new ATOM 320 N ASP A 24 -5.830 -2.837 9.790 1.00 0.00 N ATOM 321 CA ASP A 24 -6.100 -3.956 10.687 1.00 0.00 C ATOM 322 C ASP A 24 -6.988 -4.998 10.012 1.00 0.00 C ATOM 323 O ASP A 24 -6.709 -6.195 10.069 1.00 0.00 O ATOM 324 CB ASP A 24 -6.768 -3.457 11.970 1.00 0.00 C ATOM 325 CG ASP A 24 -6.420 -4.312 13.172 1.00 0.00 C ATOM 326 OD1 ASP A 24 -6.849 -5.484 13.211 1.00 0.00 O ATOM 327 OD2 ASP A 24 -5.720 -3.808 14.077 1.00 0.00 O ATOM 0 H ASP A 24 -6.119 -1.928 10.151 1.00 0.00 H new ATOM 0 HA ASP A 24 -5.148 -4.425 10.936 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.463 -2.428 12.159 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.849 -3.449 11.834 1.00 0.00 H new ATOM 332 N THR A 25 -8.058 -4.534 9.376 1.00 0.00 N ATOM 333 CA THR A 25 -8.988 -5.426 8.690 1.00 0.00 C ATOM 334 C THR A 25 -8.271 -6.255 7.629 1.00 0.00 C ATOM 335 O THR A 25 -8.673 -7.379 7.330 1.00 0.00 O ATOM 336 CB THR A 25 -10.118 -4.620 8.046 1.00 0.00 C ATOM 337 OG1 THR A 25 -10.357 -3.426 8.769 1.00 0.00 O ATOM 338 CG2 THR A 25 -11.424 -5.379 7.968 1.00 0.00 C ATOM 0 H THR A 25 -8.304 -3.546 9.321 1.00 0.00 H new ATOM 0 HA THR A 25 -9.410 -6.106 9.430 1.00 0.00 H new ATOM 0 HB THR A 25 -9.780 -4.406 7.032 1.00 0.00 H new ATOM 0 HG1 THR A 25 -11.081 -2.924 8.341 1.00 0.00 H new ATOM 0 HG21 THR A 25 -12.183 -4.751 7.501 1.00 0.00 H new ATOM 0 HG22 THR A 25 -11.285 -6.282 7.374 1.00 0.00 H new ATOM 0 HG23 THR A 25 -11.747 -5.652 8.973 1.00 0.00 H new ATOM 346 N VAL A 26 -7.208 -5.692 7.062 1.00 0.00 N ATOM 347 CA VAL A 26 -6.437 -6.379 6.034 1.00 0.00 C ATOM 348 C VAL A 26 -5.550 -7.462 6.640 1.00 0.00 C ATOM 349 O VAL A 26 -5.488 -8.583 6.135 1.00 0.00 O ATOM 350 CB VAL A 26 -5.556 -5.394 5.240 1.00 0.00 C ATOM 351 CG1 VAL A 26 -4.874 -6.101 4.078 1.00 0.00 C ATOM 352 CG2 VAL A 26 -6.382 -4.217 4.743 1.00 0.00 C ATOM 0 H VAL A 26 -6.862 -4.762 7.298 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.156 -6.840 5.357 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.784 -5.011 5.907 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.257 -5.389 3.530 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.246 -6.906 4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.629 -6.515 3.410 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.742 -3.533 4.185 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -7.179 -4.580 4.094 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.818 -3.693 5.594 1.00 0.00 H new ATOM 362 N LEU A 27 -4.863 -7.118 7.726 1.00 0.00 N ATOM 363 CA LEU A 27 -3.977 -8.062 8.399 1.00 0.00 C ATOM 364 C LEU A 27 -4.776 -9.123 9.150 1.00 0.00 C ATOM 365 O LEU A 27 -4.323 -10.257 9.308 1.00 0.00 O ATOM 366 CB LEU A 27 -3.053 -7.323 9.370 1.00 0.00 C ATOM 367 CG LEU A 27 -2.344 -6.100 8.785 1.00 0.00 C ATOM 368 CD1 LEU A 27 -1.398 -5.493 9.809 1.00 0.00 C ATOM 369 CD2 LEU A 27 -1.590 -6.477 7.519 1.00 0.00 C ATOM 0 H LEU A 27 -4.903 -6.195 8.158 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.374 -8.559 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.637 -7.007 10.234 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -2.299 -8.022 9.733 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.097 -5.355 8.528 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.902 -4.624 9.376 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.963 -5.187 10.690 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -0.650 -6.232 10.096 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -1.092 -5.595 7.116 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -0.847 -7.240 7.752 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.291 -6.867 6.781 1.00 0.00 H new ATOM 381 N ARG A 28 -5.964 -8.749 9.611 1.00 0.00 N ATOM 382 CA ARG A 28 -6.823 -9.669 10.347 1.00 0.00 C ATOM 383 C ARG A 28 -7.153 -10.898 9.504 1.00 0.00 C ATOM 384 O ARG A 28 -6.962 -12.033 9.942 1.00 0.00 O ATOM 385 CB ARG A 28 -8.112 -8.965 10.777 1.00 0.00 C ATOM 386 CG ARG A 28 -8.339 -8.980 12.280 1.00 0.00 C ATOM 387 CD ARG A 28 -9.802 -9.215 12.622 1.00 0.00 C ATOM 388 NE ARG A 28 -10.222 -8.444 13.789 1.00 0.00 N ATOM 389 CZ ARG A 28 -10.366 -7.121 13.790 1.00 0.00 C ATOM 390 NH1 ARG A 28 -10.125 -6.419 12.690 1.00 0.00 N ATOM 391 NH2 ARG A 28 -10.752 -6.498 14.896 1.00 0.00 N ATOM 0 H ARG A 28 -6.354 -7.815 9.488 1.00 0.00 H new ATOM 0 HA ARG A 28 -6.285 -9.997 11.237 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.084 -7.931 10.432 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -8.959 -9.443 10.285 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -7.729 -9.761 12.733 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.012 -8.032 12.708 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.422 -8.945 11.767 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.964 -10.276 12.811 1.00 0.00 H new ATOM 0 HE ARG A 28 -10.416 -8.949 14.654 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -9.828 -6.893 11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -10.237 -5.405 12.697 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -10.938 -7.033 15.744 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.863 -5.484 14.898 1.00 0.00 H new ATOM 405 N GLN A 29 -7.649 -10.664 8.294 1.00 0.00 N ATOM 406 CA GLN A 29 -8.005 -11.752 7.391 1.00 0.00 C ATOM 407 C GLN A 29 -6.782 -12.597 7.046 1.00 0.00 C ATOM 408 O GLN A 29 -6.897 -13.795 6.789 1.00 0.00 O ATOM 409 CB GLN A 29 -8.630 -11.195 6.110 1.00 0.00 C ATOM 410 CG GLN A 29 -9.874 -10.357 6.355 1.00 0.00 C ATOM 411 CD GLN A 29 -11.007 -10.705 5.409 1.00 0.00 C ATOM 412 OE1 GLN A 29 -11.852 -11.547 5.715 1.00 0.00 O ATOM 413 NE2 GLN A 29 -11.030 -10.056 4.250 1.00 0.00 N ATOM 0 H GLN A 29 -7.814 -9.731 7.916 1.00 0.00 H new ATOM 0 HA GLN A 29 -8.732 -12.387 7.897 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -7.890 -10.588 5.589 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -8.885 -12.024 5.450 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -10.207 -10.500 7.383 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -9.624 -9.302 6.244 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -10.310 -9.366 4.038 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -11.768 -10.248 3.573 1.00 0.00 H new ATOM 422 N VAL A 30 -5.612 -11.965 7.044 1.00 0.00 N ATOM 423 CA VAL A 30 -4.370 -12.661 6.732 1.00 0.00 C ATOM 424 C VAL A 30 -3.862 -13.446 7.936 1.00 0.00 C ATOM 425 O VAL A 30 -3.388 -14.575 7.799 1.00 0.00 O ATOM 426 CB VAL A 30 -3.275 -11.677 6.276 1.00 0.00 C ATOM 427 CG1 VAL A 30 -2.038 -12.429 5.808 1.00 0.00 C ATOM 428 CG2 VAL A 30 -3.799 -10.765 5.177 1.00 0.00 C ATOM 0 H VAL A 30 -5.499 -10.973 7.255 1.00 0.00 H new ATOM 0 HA VAL A 30 -4.590 -13.352 5.918 1.00 0.00 H new ATOM 0 HB VAL A 30 -2.994 -11.058 7.128 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.277 -11.716 5.490 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.649 -13.034 6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.301 -13.076 4.971 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -3.011 -10.078 4.868 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.111 -11.366 4.323 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -4.651 -10.197 5.551 1.00 0.00 H new ATOM 438 N ARG A 31 -3.964 -12.844 9.116 1.00 0.00 N ATOM 439 CA ARG A 31 -3.515 -13.488 10.346 1.00 0.00 C ATOM 440 C ARG A 31 -4.249 -14.806 10.572 1.00 0.00 C ATOM 441 O ARG A 31 -3.705 -15.736 11.167 1.00 0.00 O ATOM 442 CB ARG A 31 -3.731 -12.559 11.541 1.00 0.00 C ATOM 443 CG ARG A 31 -2.665 -11.485 11.678 1.00 0.00 C ATOM 444 CD ARG A 31 -2.567 -10.976 13.108 1.00 0.00 C ATOM 445 NE ARG A 31 -1.803 -11.883 13.961 1.00 0.00 N ATOM 446 CZ ARG A 31 -1.731 -11.771 15.285 1.00 0.00 C ATOM 447 NH1 ARG A 31 -2.375 -10.793 15.911 1.00 0.00 N ATOM 448 NH2 ARG A 31 -1.014 -12.638 15.985 1.00 0.00 N ATOM 0 H ARG A 31 -4.354 -11.911 9.247 1.00 0.00 H new ATOM 0 HA ARG A 31 -2.450 -13.700 10.247 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -4.706 -12.081 11.447 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.754 -13.154 12.454 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -1.701 -11.886 11.367 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.895 -10.655 11.010 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.096 -9.993 13.111 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.569 -10.851 13.518 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.295 -12.647 13.516 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.928 -10.123 15.377 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.316 -10.712 16.926 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.517 -13.391 15.509 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -0.959 -12.552 17.000 1.00 0.00 H new ATOM 462 N LEU A 32 -5.487 -14.879 10.094 1.00 0.00 N ATOM 463 CA LEU A 32 -6.293 -16.084 10.245 1.00 0.00 C ATOM 464 C LEU A 32 -5.678 -17.250 9.478 1.00 0.00 C ATOM 465 O LEU A 32 -5.592 -18.367 9.990 1.00 0.00 O ATOM 466 CB LEU A 32 -7.721 -15.833 9.755 1.00 0.00 C ATOM 467 CG LEU A 32 -8.554 -14.903 10.640 1.00 0.00 C ATOM 468 CD1 LEU A 32 -9.866 -14.550 9.955 1.00 0.00 C ATOM 469 CD2 LEU A 32 -8.813 -15.550 11.992 1.00 0.00 C ATOM 0 H LEU A 32 -5.953 -14.118 9.599 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.319 -16.342 11.304 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -7.676 -15.411 8.751 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.235 -16.791 9.675 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.993 -13.982 10.800 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.446 -13.888 10.598 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -9.659 -14.048 9.010 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -10.434 -15.461 9.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.407 -14.876 12.610 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -9.355 -16.485 11.850 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -7.863 -15.753 12.486 1.00 0.00 H new ATOM 481 N ASP A 33 -5.252 -16.985 8.247 1.00 0.00 N ATOM 482 CA ASP A 33 -4.645 -18.013 7.410 1.00 0.00 C ATOM 483 C ASP A 33 -3.646 -17.399 6.430 1.00 0.00 C ATOM 484 O ASP A 33 -4.026 -16.940 5.352 1.00 0.00 O ATOM 485 CB ASP A 33 -5.727 -18.778 6.643 1.00 0.00 C ATOM 486 CG ASP A 33 -5.986 -20.153 7.227 1.00 0.00 C ATOM 487 OD1 ASP A 33 -5.753 -20.336 8.441 1.00 0.00 O ATOM 488 OD2 ASP A 33 -6.422 -21.046 6.472 1.00 0.00 O ATOM 0 H ASP A 33 -5.316 -16.067 7.807 1.00 0.00 H new ATOM 0 HA ASP A 33 -4.109 -18.706 8.059 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.652 -18.202 6.653 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -5.426 -18.880 5.600 1.00 0.00 H new ATOM 493 N PRO A 34 -2.351 -17.383 6.791 1.00 0.00 N ATOM 494 CA PRO A 34 -1.301 -16.822 5.934 1.00 0.00 C ATOM 495 C PRO A 34 -1.355 -17.374 4.513 1.00 0.00 C ATOM 496 O PRO A 34 -1.704 -18.534 4.300 1.00 0.00 O ATOM 497 CB PRO A 34 -0.008 -17.255 6.627 1.00 0.00 C ATOM 498 CG PRO A 34 -0.384 -17.424 8.058 1.00 0.00 C ATOM 499 CD PRO A 34 -1.807 -17.910 8.058 1.00 0.00 C ATOM 0 HA PRO A 34 -1.400 -15.742 5.823 1.00 0.00 H new ATOM 0 HB2 PRO A 34 0.375 -18.185 6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.775 -16.506 6.509 1.00 0.00 H new ATOM 0 HG2 PRO A 34 0.273 -18.140 8.552 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.293 -16.482 8.599 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.860 -18.998 8.096 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -2.360 -17.534 8.919 1.00 0.00 H new ATOM 507 N CYS A 35 -1.008 -16.533 3.544 1.00 0.00 N ATOM 508 CA CYS A 35 -1.017 -16.937 2.143 1.00 0.00 C ATOM 509 C CYS A 35 -0.060 -16.079 1.322 1.00 0.00 C ATOM 510 O CYS A 35 0.577 -15.167 1.848 1.00 0.00 O ATOM 511 CB CYS A 35 -2.432 -16.833 1.570 1.00 0.00 C ATOM 512 SG CYS A 35 -2.857 -18.152 0.408 1.00 0.00 S ATOM 0 H CYS A 35 -0.717 -15.568 3.703 1.00 0.00 H new ATOM 0 HA CYS A 35 -0.685 -17.974 2.088 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -3.147 -16.844 2.393 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -2.539 -15.872 1.067 1.00 0.00 H new ATOM 0 HG CYS A 35 -4.072 -17.979 -0.020 1.00 0.00 H new ATOM 518 N ASP A 36 0.037 -16.378 0.031 1.00 0.00 N ATOM 519 CA ASP A 36 0.917 -15.635 -0.862 1.00 0.00 C ATOM 520 C ASP A 36 0.370 -14.234 -1.123 1.00 0.00 C ATOM 521 O ASP A 36 -0.781 -14.073 -1.527 1.00 0.00 O ATOM 522 CB ASP A 36 1.087 -16.384 -2.186 1.00 0.00 C ATOM 523 CG ASP A 36 2.301 -17.291 -2.184 1.00 0.00 C ATOM 524 OD1 ASP A 36 2.737 -17.698 -1.087 1.00 0.00 O ATOM 525 OD2 ASP A 36 2.817 -17.595 -3.280 1.00 0.00 O ATOM 0 H ASP A 36 -0.484 -17.130 -0.420 1.00 0.00 H new ATOM 0 HA ASP A 36 1.889 -15.542 -0.378 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.194 -16.977 -2.382 1.00 0.00 H new ATOM 0 HB3 ASP A 36 1.176 -15.664 -2.999 1.00 0.00 H new ATOM 530 N LEU A 37 1.204 -13.227 -0.888 1.00 0.00 N ATOM 531 CA LEU A 37 0.805 -11.840 -1.097 1.00 0.00 C ATOM 532 C LEU A 37 1.688 -11.174 -2.148 1.00 0.00 C ATOM 533 O LEU A 37 1.972 -9.979 -2.068 1.00 0.00 O ATOM 534 CB LEU A 37 0.883 -11.061 0.218 1.00 0.00 C ATOM 535 CG LEU A 37 0.063 -11.651 1.367 1.00 0.00 C ATOM 536 CD1 LEU A 37 0.850 -11.599 2.668 1.00 0.00 C ATOM 537 CD2 LEU A 37 -1.259 -10.911 1.513 1.00 0.00 C ATOM 0 H LEU A 37 2.160 -13.345 -0.553 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.225 -11.834 -1.455 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.926 -11.004 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.547 -10.040 0.039 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.150 -12.695 1.137 1.00 0.00 H new ATOM 0 HD11 LEU A 37 0.250 -12.023 3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 37 1.770 -12.173 2.560 1.00 0.00 H new ATOM 0 HD13 LEU A 37 1.094 -10.563 2.904 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -1.829 -11.344 2.335 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.066 -9.858 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.830 -11.000 0.589 1.00 0.00 H new ATOM 549 N GLN A 38 2.118 -11.955 -3.134 1.00 0.00 N ATOM 550 CA GLN A 38 2.968 -11.442 -4.200 1.00 0.00 C ATOM 551 C GLN A 38 2.151 -10.640 -5.213 1.00 0.00 C ATOM 552 O GLN A 38 2.479 -9.494 -5.519 1.00 0.00 O ATOM 553 CB GLN A 38 3.693 -12.594 -4.902 1.00 0.00 C ATOM 554 CG GLN A 38 5.208 -12.476 -4.858 1.00 0.00 C ATOM 555 CD GLN A 38 5.714 -11.218 -5.536 1.00 0.00 C ATOM 556 OE1 GLN A 38 5.954 -11.203 -6.743 1.00 0.00 O ATOM 557 NE2 GLN A 38 5.882 -10.153 -4.760 1.00 0.00 N ATOM 0 H GLN A 38 1.891 -12.946 -3.216 1.00 0.00 H new ATOM 0 HA GLN A 38 3.707 -10.777 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.397 -13.535 -4.439 1.00 0.00 H new ATOM 0 HB3 GLN A 38 3.370 -12.635 -5.942 1.00 0.00 H new ATOM 0 HG2 GLN A 38 5.539 -12.483 -3.820 1.00 0.00 H new ATOM 0 HG3 GLN A 38 5.651 -13.348 -5.340 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.671 -10.209 -3.764 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.222 -9.279 -5.160 1.00 0.00 H new ATOM 566 N PRO A 39 1.069 -11.236 -5.748 1.00 0.00 N ATOM 567 CA PRO A 39 0.207 -10.569 -6.729 1.00 0.00 C ATOM 568 C PRO A 39 -0.240 -9.187 -6.264 1.00 0.00 C ATOM 569 O PRO A 39 -0.505 -8.302 -7.079 1.00 0.00 O ATOM 570 CB PRO A 39 -0.995 -11.509 -6.842 1.00 0.00 C ATOM 571 CG PRO A 39 -0.463 -12.849 -6.471 1.00 0.00 C ATOM 572 CD PRO A 39 0.604 -12.601 -5.439 1.00 0.00 C ATOM 0 HA PRO A 39 0.722 -10.398 -7.674 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.800 -11.204 -6.174 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.403 -11.511 -7.853 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -1.253 -13.485 -6.071 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.052 -13.360 -7.342 1.00 0.00 H new ATOM 0 HD2 PRO A 39 0.207 -12.670 -4.426 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.413 -13.328 -5.515 1.00 0.00 H new ATOM 580 N ILE A 40 -0.322 -9.008 -4.950 1.00 0.00 N ATOM 581 CA ILE A 40 -0.738 -7.732 -4.377 1.00 0.00 C ATOM 582 C ILE A 40 0.436 -6.763 -4.283 1.00 0.00 C ATOM 583 O ILE A 40 0.296 -5.575 -4.572 1.00 0.00 O ATOM 584 CB ILE A 40 -1.349 -7.918 -2.974 1.00 0.00 C ATOM 585 CG1 ILE A 40 -2.431 -9.000 -3.000 1.00 0.00 C ATOM 586 CG2 ILE A 40 -1.920 -6.602 -2.465 1.00 0.00 C ATOM 587 CD1 ILE A 40 -2.483 -9.832 -1.737 1.00 0.00 C ATOM 0 H ILE A 40 -0.106 -9.729 -4.262 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.495 -7.318 -5.043 1.00 0.00 H new ATOM 0 HB ILE A 40 -0.561 -8.238 -2.293 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.401 -8.529 -3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -2.256 -9.657 -3.852 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.348 -6.750 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -1.126 -5.858 -2.410 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.696 -6.254 -3.147 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.272 -10.579 -1.825 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -1.525 -10.332 -1.591 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.689 -9.186 -0.884 1.00 0.00 H new ATOM 599 N PHE A 41 1.591 -7.277 -3.874 1.00 0.00 N ATOM 600 CA PHE A 41 2.788 -6.455 -3.738 1.00 0.00 C ATOM 601 C PHE A 41 3.323 -6.036 -5.104 1.00 0.00 C ATOM 602 O PHE A 41 3.576 -4.857 -5.346 1.00 0.00 O ATOM 603 CB PHE A 41 3.867 -7.214 -2.965 1.00 0.00 C ATOM 604 CG PHE A 41 3.883 -6.902 -1.496 1.00 0.00 C ATOM 605 CD1 PHE A 41 4.066 -5.602 -1.053 1.00 0.00 C ATOM 606 CD2 PHE A 41 3.715 -7.908 -0.558 1.00 0.00 C ATOM 607 CE1 PHE A 41 4.081 -5.311 0.298 1.00 0.00 C ATOM 608 CE2 PHE A 41 3.730 -7.624 0.793 1.00 0.00 C ATOM 609 CZ PHE A 41 3.913 -6.324 1.223 1.00 0.00 C ATOM 0 H PHE A 41 1.724 -8.259 -3.631 1.00 0.00 H new ATOM 0 HA PHE A 41 2.518 -5.555 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 41 3.714 -8.285 -3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.842 -6.976 -3.390 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.198 -4.807 -1.772 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.571 -8.926 -0.888 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.224 -4.293 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 41 3.599 -8.418 1.513 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.925 -6.100 2.279 1.00 0.00 H new ATOM 619 N ASP A 42 3.497 -7.009 -5.991 1.00 0.00 N ATOM 620 CA ASP A 42 4.007 -6.743 -7.333 1.00 0.00 C ATOM 621 C ASP A 42 3.151 -5.704 -8.057 1.00 0.00 C ATOM 622 O ASP A 42 3.614 -5.048 -8.990 1.00 0.00 O ATOM 623 CB ASP A 42 4.055 -8.036 -8.148 1.00 0.00 C ATOM 624 CG ASP A 42 5.279 -8.114 -9.038 1.00 0.00 C ATOM 625 OD1 ASP A 42 6.399 -7.896 -8.529 1.00 0.00 O ATOM 626 OD2 ASP A 42 5.120 -8.392 -10.245 1.00 0.00 O ATOM 0 H ASP A 42 3.292 -7.991 -5.806 1.00 0.00 H new ATOM 0 HA ASP A 42 5.016 -6.343 -7.232 1.00 0.00 H new ATOM 0 HB2 ASP A 42 4.047 -8.890 -7.470 1.00 0.00 H new ATOM 0 HB3 ASP A 42 3.157 -8.108 -8.762 1.00 0.00 H new ATOM 631 N ASP A 43 1.901 -5.564 -7.627 1.00 0.00 N ATOM 632 CA ASP A 43 0.985 -4.608 -8.241 1.00 0.00 C ATOM 633 C ASP A 43 1.152 -3.213 -7.641 1.00 0.00 C ATOM 634 O ASP A 43 0.807 -2.213 -8.273 1.00 0.00 O ATOM 635 CB ASP A 43 -0.461 -5.077 -8.070 1.00 0.00 C ATOM 636 CG ASP A 43 -1.384 -4.503 -9.127 1.00 0.00 C ATOM 637 OD1 ASP A 43 -1.212 -4.848 -10.315 1.00 0.00 O ATOM 638 OD2 ASP A 43 -2.277 -3.709 -8.767 1.00 0.00 O ATOM 0 H ASP A 43 1.499 -6.099 -6.857 1.00 0.00 H new ATOM 0 HA ASP A 43 1.224 -4.552 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.495 -6.166 -8.115 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.820 -4.787 -7.082 1.00 0.00 H new ATOM 643 N MET A 44 1.678 -3.149 -6.422 1.00 0.00 N ATOM 644 CA MET A 44 1.879 -1.870 -5.745 1.00 0.00 C ATOM 645 C MET A 44 3.363 -1.517 -5.637 1.00 0.00 C ATOM 646 O MET A 44 3.714 -0.404 -5.249 1.00 0.00 O ATOM 647 CB MET A 44 1.253 -1.909 -4.349 1.00 0.00 C ATOM 648 CG MET A 44 -0.201 -2.352 -4.346 1.00 0.00 C ATOM 649 SD MET A 44 -1.246 -1.310 -5.383 1.00 0.00 S ATOM 650 CE MET A 44 -1.180 0.237 -4.483 1.00 0.00 C ATOM 0 H MET A 44 1.972 -3.964 -5.883 1.00 0.00 H new ATOM 0 HA MET A 44 1.392 -1.099 -6.342 1.00 0.00 H new ATOM 0 HB2 MET A 44 1.831 -2.585 -3.719 1.00 0.00 H new ATOM 0 HB3 MET A 44 1.323 -0.918 -3.901 1.00 0.00 H new ATOM 0 HG2 MET A 44 -0.263 -3.383 -4.694 1.00 0.00 H new ATOM 0 HG3 MET A 44 -0.579 -2.337 -3.324 1.00 0.00 H new ATOM 0 HE1 MET A 44 -2.173 0.685 -4.456 1.00 0.00 H new ATOM 0 HE2 MET A 44 -0.837 0.051 -3.465 1.00 0.00 H new ATOM 0 HE3 MET A 44 -0.489 0.918 -4.980 1.00 0.00 H new ATOM 660 N LEU A 45 4.230 -2.466 -5.978 1.00 0.00 N ATOM 661 CA LEU A 45 5.670 -2.242 -5.912 1.00 0.00 C ATOM 662 C LEU A 45 6.089 -1.101 -6.833 1.00 0.00 C ATOM 663 O LEU A 45 6.904 -0.257 -6.460 1.00 0.00 O ATOM 664 CB LEU A 45 6.424 -3.519 -6.288 1.00 0.00 C ATOM 665 CG LEU A 45 6.667 -4.491 -5.133 1.00 0.00 C ATOM 666 CD1 LEU A 45 7.342 -5.757 -5.633 1.00 0.00 C ATOM 667 CD2 LEU A 45 7.505 -3.830 -4.049 1.00 0.00 C ATOM 0 H LEU A 45 3.961 -3.395 -6.302 1.00 0.00 H new ATOM 0 HA LEU A 45 5.921 -1.967 -4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 45 5.865 -4.037 -7.067 1.00 0.00 H new ATOM 0 HB3 LEU A 45 7.386 -3.241 -6.718 1.00 0.00 H new ATOM 0 HG LEU A 45 5.703 -4.764 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 45 7.507 -6.436 -4.797 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.705 -6.241 -6.373 1.00 0.00 H new ATOM 0 HD13 LEU A 45 8.299 -5.503 -6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 45 7.668 -4.536 -3.234 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.466 -3.528 -4.466 1.00 0.00 H new ATOM 0 HD23 LEU A 45 6.982 -2.952 -3.669 1.00 0.00 H new ATOM 679 N HIS A 46 5.528 -1.081 -8.038 1.00 0.00 N ATOM 680 CA HIS A 46 5.847 -0.044 -9.012 1.00 0.00 C ATOM 681 C HIS A 46 5.478 1.338 -8.480 1.00 0.00 C ATOM 682 O HIS A 46 6.115 2.335 -8.820 1.00 0.00 O ATOM 683 CB HIS A 46 5.115 -0.312 -10.330 1.00 0.00 C ATOM 684 CG HIS A 46 6.004 -0.237 -11.533 1.00 0.00 C ATOM 685 ND1 HIS A 46 5.599 -0.561 -12.808 1.00 0.00 N ATOM 686 CD2 HIS A 46 7.304 0.139 -11.638 1.00 0.00 C ATOM 687 CE1 HIS A 46 6.641 -0.380 -13.630 1.00 0.00 C ATOM 688 NE2 HIS A 46 7.701 0.046 -12.969 1.00 0.00 N ATOM 0 H HIS A 46 4.851 -1.771 -8.363 1.00 0.00 H new ATOM 0 HA HIS A 46 6.922 -0.066 -9.191 1.00 0.00 H new ATOM 0 HB2 HIS A 46 4.657 -1.300 -10.288 1.00 0.00 H new ATOM 0 HB3 HIS A 46 4.306 0.410 -10.440 1.00 0.00 H new ATOM 0 HD2 HIS A 46 7.931 0.459 -10.819 1.00 0.00 H new ATOM 0 HE1 HIS A 46 6.617 -0.559 -14.695 1.00 0.00 H new ATOM 0 HE2 HIS A 46 8.621 0.262 -13.354 1.00 0.00 H new ATOM 696 N PHE A 47 4.446 1.390 -7.643 1.00 0.00 N ATOM 697 CA PHE A 47 3.994 2.651 -7.066 1.00 0.00 C ATOM 698 C PHE A 47 5.045 3.227 -6.121 1.00 0.00 C ATOM 699 O PHE A 47 5.163 4.444 -5.977 1.00 0.00 O ATOM 700 CB PHE A 47 2.675 2.451 -6.318 1.00 0.00 C ATOM 701 CG PHE A 47 1.487 2.305 -7.225 1.00 0.00 C ATOM 702 CD1 PHE A 47 1.322 1.167 -7.998 1.00 0.00 C ATOM 703 CD2 PHE A 47 0.534 3.309 -7.305 1.00 0.00 C ATOM 704 CE1 PHE A 47 0.229 1.032 -8.833 1.00 0.00 C ATOM 705 CE2 PHE A 47 -0.562 3.178 -8.138 1.00 0.00 C ATOM 706 CZ PHE A 47 -0.714 2.038 -8.903 1.00 0.00 C ATOM 0 H PHE A 47 3.908 0.575 -7.350 1.00 0.00 H new ATOM 0 HA PHE A 47 3.838 3.358 -7.881 1.00 0.00 H new ATOM 0 HB2 PHE A 47 2.754 1.563 -5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 47 2.512 3.299 -5.653 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.056 0.376 -7.947 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.649 4.203 -6.710 1.00 0.00 H new ATOM 0 HE1 PHE A 47 0.113 0.140 -9.431 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.298 3.966 -8.190 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.569 1.934 -9.555 1.00 0.00 H new ATOM 716 N LEU A 48 5.804 2.345 -5.479 1.00 0.00 N ATOM 717 CA LEU A 48 6.844 2.767 -4.547 1.00 0.00 C ATOM 718 C LEU A 48 8.119 3.154 -5.290 1.00 0.00 C ATOM 719 O LEU A 48 8.259 2.887 -6.484 1.00 0.00 O ATOM 720 CB LEU A 48 7.144 1.650 -3.545 1.00 0.00 C ATOM 721 CG LEU A 48 5.912 0.953 -2.966 1.00 0.00 C ATOM 722 CD1 LEU A 48 6.224 -0.502 -2.648 1.00 0.00 C ATOM 723 CD2 LEU A 48 5.426 1.680 -1.721 1.00 0.00 C ATOM 0 H LEU A 48 5.719 1.334 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 48 6.480 3.642 -4.009 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.770 0.903 -4.033 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.727 2.066 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 48 5.117 0.979 -3.712 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.336 -0.983 -2.237 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.526 -1.017 -3.560 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.033 -0.550 -1.919 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.549 1.171 -1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 48 6.216 1.684 -0.970 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.164 2.706 -1.978 1.00 0.00 H new ATOM 735 N ASN A 49 9.045 3.785 -4.576 1.00 0.00 N ATOM 736 CA ASN A 49 10.310 4.209 -5.166 1.00 0.00 C ATOM 737 C ASN A 49 11.476 3.410 -4.589 1.00 0.00 C ATOM 738 O ASN A 49 11.334 2.737 -3.569 1.00 0.00 O ATOM 739 CB ASN A 49 10.532 5.703 -4.927 1.00 0.00 C ATOM 740 CG ASN A 49 9.932 6.560 -6.025 1.00 0.00 C ATOM 741 OD1 ASN A 49 9.816 6.129 -7.172 1.00 0.00 O ATOM 742 ND2 ASN A 49 9.546 7.782 -5.677 1.00 0.00 N ATOM 0 H ASN A 49 8.943 4.014 -3.587 1.00 0.00 H new ATOM 0 HA ASN A 49 10.262 4.023 -6.239 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.093 5.984 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 49 11.601 5.902 -4.858 1.00 0.00 H new ATOM 0 HD21 ASN A 49 9.135 8.404 -6.373 1.00 0.00 H new ATOM 0 HD22 ASN A 49 9.661 8.098 -4.714 1.00 0.00 H new ATOM 749 N PRO A 50 12.652 3.476 -5.238 1.00 0.00 N ATOM 750 CA PRO A 50 13.847 2.756 -4.784 1.00 0.00 C ATOM 751 C PRO A 50 14.170 3.033 -3.320 1.00 0.00 C ATOM 752 O PRO A 50 14.526 2.125 -2.570 1.00 0.00 O ATOM 753 CB PRO A 50 14.955 3.298 -5.688 1.00 0.00 C ATOM 754 CG PRO A 50 14.251 3.757 -6.918 1.00 0.00 C ATOM 755 CD PRO A 50 12.908 4.257 -6.463 1.00 0.00 C ATOM 0 HA PRO A 50 13.719 1.675 -4.847 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.491 4.118 -5.209 1.00 0.00 H new ATOM 0 HB3 PRO A 50 15.691 2.527 -5.917 1.00 0.00 H new ATOM 0 HG2 PRO A 50 14.813 4.546 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 50 14.142 2.941 -7.633 1.00 0.00 H new ATOM 0 HD2 PRO A 50 12.925 5.328 -6.261 1.00 0.00 H new ATOM 0 HD3 PRO A 50 12.139 4.087 -7.217 1.00 0.00 H new ATOM 763 N GLU A 51 14.045 4.295 -2.919 1.00 0.00 N ATOM 764 CA GLU A 51 14.325 4.692 -1.544 1.00 0.00 C ATOM 765 C GLU A 51 13.291 4.111 -0.586 1.00 0.00 C ATOM 766 O GLU A 51 13.620 3.715 0.532 1.00 0.00 O ATOM 767 CB GLU A 51 14.347 6.217 -1.426 1.00 0.00 C ATOM 768 CG GLU A 51 15.080 6.722 -0.194 1.00 0.00 C ATOM 769 CD GLU A 51 16.556 6.955 -0.449 1.00 0.00 C ATOM 770 OE1 GLU A 51 16.885 7.853 -1.253 1.00 0.00 O ATOM 771 OE2 GLU A 51 17.384 6.242 0.156 1.00 0.00 O ATOM 0 H GLU A 51 13.752 5.060 -3.527 1.00 0.00 H new ATOM 0 HA GLU A 51 15.305 4.299 -1.272 1.00 0.00 H new ATOM 0 HB2 GLU A 51 14.818 6.635 -2.316 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.322 6.586 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 51 14.622 7.652 0.141 1.00 0.00 H new ATOM 0 HG3 GLU A 51 14.964 6.000 0.615 1.00 0.00 H new ATOM 778 N GLU A 52 12.039 4.063 -1.031 1.00 0.00 N ATOM 779 CA GLU A 52 10.956 3.531 -0.212 1.00 0.00 C ATOM 780 C GLU A 52 11.013 2.008 -0.158 1.00 0.00 C ATOM 781 O GLU A 52 10.679 1.400 0.860 1.00 0.00 O ATOM 782 CB GLU A 52 9.604 3.983 -0.764 1.00 0.00 C ATOM 783 CG GLU A 52 9.432 5.493 -0.795 1.00 0.00 C ATOM 784 CD GLU A 52 8.116 5.918 -1.413 1.00 0.00 C ATOM 785 OE1 GLU A 52 7.583 5.163 -2.253 1.00 0.00 O ATOM 786 OE2 GLU A 52 7.616 7.006 -1.055 1.00 0.00 O ATOM 0 H GLU A 52 11.750 4.386 -1.954 1.00 0.00 H new ATOM 0 HA GLU A 52 11.075 3.917 0.800 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.484 3.592 -1.774 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.810 3.548 -0.157 1.00 0.00 H new ATOM 0 HG2 GLU A 52 9.494 5.883 0.221 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.253 5.937 -1.358 1.00 0.00 H new ATOM 793 N LEU A 53 11.438 1.398 -1.258 1.00 0.00 N ATOM 794 CA LEU A 53 11.539 -0.055 -1.337 1.00 0.00 C ATOM 795 C LEU A 53 12.516 -0.591 -0.296 1.00 0.00 C ATOM 796 O LEU A 53 12.323 -1.677 0.250 1.00 0.00 O ATOM 797 CB LEU A 53 11.984 -0.480 -2.738 1.00 0.00 C ATOM 798 CG LEU A 53 10.969 -0.212 -3.850 1.00 0.00 C ATOM 799 CD1 LEU A 53 11.677 0.002 -5.178 1.00 0.00 C ATOM 800 CD2 LEU A 53 9.975 -1.360 -3.951 1.00 0.00 C ATOM 0 H LEU A 53 11.718 1.887 -2.108 1.00 0.00 H new ATOM 0 HA LEU A 53 10.554 -0.474 -1.133 1.00 0.00 H new ATOM 0 HB2 LEU A 53 12.911 0.039 -2.981 1.00 0.00 H new ATOM 0 HB3 LEU A 53 12.210 -1.546 -2.723 1.00 0.00 H new ATOM 0 HG LEU A 53 10.420 0.697 -3.605 1.00 0.00 H new ATOM 0 HD11 LEU A 53 10.939 0.191 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.348 0.857 -5.099 1.00 0.00 H new ATOM 0 HD13 LEU A 53 12.252 -0.889 -5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.260 -1.153 -4.747 1.00 0.00 H new ATOM 0 HD22 LEU A 53 10.508 -2.284 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 53 9.444 -1.466 -3.005 1.00 0.00 H new ATOM 812 N ARG A 54 13.565 0.178 -0.026 1.00 0.00 N ATOM 813 CA ARG A 54 14.574 -0.219 0.949 1.00 0.00 C ATOM 814 C ARG A 54 13.959 -0.380 2.335 1.00 0.00 C ATOM 815 O ARG A 54 14.264 -1.333 3.053 1.00 0.00 O ATOM 816 CB ARG A 54 15.702 0.814 0.995 1.00 0.00 C ATOM 817 CG ARG A 54 16.994 0.279 1.591 1.00 0.00 C ATOM 818 CD ARG A 54 18.138 1.264 1.414 1.00 0.00 C ATOM 819 NE ARG A 54 18.986 1.336 2.601 1.00 0.00 N ATOM 820 CZ ARG A 54 19.918 0.436 2.903 1.00 0.00 C ATOM 821 NH1 ARG A 54 20.127 -0.606 2.107 1.00 0.00 N ATOM 822 NH2 ARG A 54 20.645 0.577 4.003 1.00 0.00 N ATOM 0 H ARG A 54 13.739 1.080 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 54 14.983 -1.181 0.640 1.00 0.00 H new ATOM 0 HB2 ARG A 54 15.898 1.170 -0.016 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.372 1.674 1.577 1.00 0.00 H new ATOM 0 HG2 ARG A 54 16.849 0.074 2.652 1.00 0.00 H new ATOM 0 HG3 ARG A 54 17.251 -0.668 1.116 1.00 0.00 H new ATOM 0 HD2 ARG A 54 18.741 0.969 0.555 1.00 0.00 H new ATOM 0 HD3 ARG A 54 17.735 2.253 1.196 1.00 0.00 H new ATOM 0 HE ARG A 54 18.856 2.123 3.236 1.00 0.00 H new ATOM 0 HH11 ARG A 54 19.572 -0.719 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 54 20.843 -1.293 2.343 1.00 0.00 H new ATOM 0 HH21 ARG A 54 20.490 1.376 4.618 1.00 0.00 H new ATOM 0 HH22 ARG A 54 21.359 -0.113 4.234 1.00 0.00 H new ATOM 836 N VAL A 55 13.092 0.556 2.705 1.00 0.00 N ATOM 837 CA VAL A 55 12.434 0.518 4.005 1.00 0.00 C ATOM 838 C VAL A 55 11.531 -0.705 4.129 1.00 0.00 C ATOM 839 O VAL A 55 11.355 -1.250 5.220 1.00 0.00 O ATOM 840 CB VAL A 55 11.595 1.788 4.250 1.00 0.00 C ATOM 841 CG1 VAL A 55 11.052 1.807 5.670 1.00 0.00 C ATOM 842 CG2 VAL A 55 12.419 3.037 3.970 1.00 0.00 C ATOM 0 H VAL A 55 12.829 1.351 2.122 1.00 0.00 H new ATOM 0 HA VAL A 55 13.223 0.463 4.755 1.00 0.00 H new ATOM 0 HB VAL A 55 10.749 1.777 3.563 1.00 0.00 H new ATOM 0 HG11 VAL A 55 10.463 2.711 5.822 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.422 0.932 5.830 1.00 0.00 H new ATOM 0 HG13 VAL A 55 11.881 1.791 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 55 11.809 3.923 4.149 1.00 0.00 H new ATOM 0 HG22 VAL A 55 13.287 3.055 4.629 1.00 0.00 H new ATOM 0 HG23 VAL A 55 12.751 3.029 2.932 1.00 0.00 H new ATOM 852 N ILE A 56 10.962 -1.131 3.007 1.00 0.00 N ATOM 853 CA ILE A 56 10.076 -2.290 2.993 1.00 0.00 C ATOM 854 C ILE A 56 10.867 -3.585 2.852 1.00 0.00 C ATOM 855 O ILE A 56 10.496 -4.614 3.415 1.00 0.00 O ATOM 856 CB ILE A 56 9.052 -2.200 1.846 1.00 0.00 C ATOM 857 CG1 ILE A 56 8.376 -0.827 1.841 1.00 0.00 C ATOM 858 CG2 ILE A 56 8.016 -3.306 1.972 1.00 0.00 C ATOM 859 CD1 ILE A 56 7.362 -0.656 0.732 1.00 0.00 C ATOM 0 H ILE A 56 11.098 -0.692 2.096 1.00 0.00 H new ATOM 0 HA ILE A 56 9.545 -2.294 3.945 1.00 0.00 H new ATOM 0 HB ILE A 56 9.578 -2.328 0.900 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.883 -0.671 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.140 -0.055 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 56 7.300 -3.228 1.154 1.00 0.00 H new ATOM 0 HG22 ILE A 56 8.512 -4.276 1.929 1.00 0.00 H new ATOM 0 HG23 ILE A 56 7.493 -3.208 2.923 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.923 0.340 0.790 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.854 -0.780 -0.233 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.577 -1.405 0.838 1.00 0.00 H new ATOM 871 N GLU A 57 11.959 -3.527 2.097 1.00 0.00 N ATOM 872 CA GLU A 57 12.803 -4.697 1.882 1.00 0.00 C ATOM 873 C GLU A 57 13.449 -5.150 3.188 1.00 0.00 C ATOM 874 O GLU A 57 13.712 -6.337 3.382 1.00 0.00 O ATOM 875 CB GLU A 57 13.884 -4.387 0.842 1.00 0.00 C ATOM 876 CG GLU A 57 13.799 -5.260 -0.401 1.00 0.00 C ATOM 877 CD GLU A 57 15.152 -5.790 -0.834 1.00 0.00 C ATOM 878 OE1 GLU A 57 16.173 -5.147 -0.510 1.00 0.00 O ATOM 879 OE2 GLU A 57 15.191 -6.847 -1.497 1.00 0.00 O ATOM 0 H GLU A 57 12.280 -2.682 1.624 1.00 0.00 H new ATOM 0 HA GLU A 57 12.174 -5.506 1.511 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.804 -3.341 0.547 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.865 -4.515 1.300 1.00 0.00 H new ATOM 0 HG2 GLU A 57 13.130 -6.098 -0.207 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.361 -4.684 -1.216 1.00 0.00 H new ATOM 886 N GLU A 58 13.702 -4.197 4.080 1.00 0.00 N ATOM 887 CA GLU A 58 14.317 -4.500 5.367 1.00 0.00 C ATOM 888 C GLU A 58 13.424 -5.416 6.198 1.00 0.00 C ATOM 889 O GLU A 58 13.911 -6.217 6.994 1.00 0.00 O ATOM 890 CB GLU A 58 14.600 -3.209 6.137 1.00 0.00 C ATOM 891 CG GLU A 58 15.960 -2.602 5.827 1.00 0.00 C ATOM 892 CD GLU A 58 16.879 -2.585 7.033 1.00 0.00 C ATOM 893 OE1 GLU A 58 16.838 -1.598 7.798 1.00 0.00 O ATOM 894 OE2 GLU A 58 17.641 -3.558 7.213 1.00 0.00 O ATOM 0 H GLU A 58 13.491 -3.210 3.935 1.00 0.00 H new ATOM 0 HA GLU A 58 15.258 -5.017 5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 58 13.824 -2.480 5.905 1.00 0.00 H new ATOM 0 HB3 GLU A 58 14.537 -3.412 7.206 1.00 0.00 H new ATOM 0 HG2 GLU A 58 16.432 -3.168 5.023 1.00 0.00 H new ATOM 0 HG3 GLU A 58 15.825 -1.583 5.463 1.00 0.00 H new ATOM 901 N ILE A 59 12.114 -5.288 6.008 1.00 0.00 N ATOM 902 CA ILE A 59 11.153 -6.104 6.742 1.00 0.00 C ATOM 903 C ILE A 59 11.043 -7.503 6.136 1.00 0.00 C ATOM 904 O ILE A 59 10.539 -7.666 5.025 1.00 0.00 O ATOM 905 CB ILE A 59 9.756 -5.452 6.751 1.00 0.00 C ATOM 906 CG1 ILE A 59 9.853 -3.991 7.194 1.00 0.00 C ATOM 907 CG2 ILE A 59 8.816 -6.226 7.663 1.00 0.00 C ATOM 908 CD1 ILE A 59 8.691 -3.141 6.728 1.00 0.00 C ATOM 0 H ILE A 59 11.694 -4.628 5.353 1.00 0.00 H new ATOM 0 HA ILE A 59 11.519 -6.181 7.766 1.00 0.00 H new ATOM 0 HB ILE A 59 9.353 -5.479 5.739 1.00 0.00 H new ATOM 0 HG12 ILE A 59 9.908 -3.952 8.282 1.00 0.00 H new ATOM 0 HG13 ILE A 59 10.781 -3.565 6.813 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.834 -5.753 7.659 1.00 0.00 H new ATOM 0 HG22 ILE A 59 8.726 -7.252 7.307 1.00 0.00 H new ATOM 0 HG23 ILE A 59 9.213 -6.228 8.678 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.826 -2.117 7.078 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.648 -3.149 5.639 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.761 -3.543 7.131 1.00 0.00 H new ATOM 920 N PRO A 60 11.515 -8.537 6.859 1.00 0.00 N ATOM 921 CA PRO A 60 11.463 -9.921 6.377 1.00 0.00 C ATOM 922 C PRO A 60 10.054 -10.503 6.437 1.00 0.00 C ATOM 923 O PRO A 60 9.629 -11.218 5.529 1.00 0.00 O ATOM 924 CB PRO A 60 12.389 -10.661 7.342 1.00 0.00 C ATOM 925 CG PRO A 60 12.316 -9.877 8.606 1.00 0.00 C ATOM 926 CD PRO A 60 12.135 -8.440 8.195 1.00 0.00 C ATOM 0 HA PRO A 60 11.758 -10.003 5.331 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.063 -11.690 7.494 1.00 0.00 H new ATOM 0 HB3 PRO A 60 13.409 -10.703 6.960 1.00 0.00 H new ATOM 0 HG2 PRO A 60 11.485 -10.213 9.226 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.224 -10.002 9.196 1.00 0.00 H new ATOM 0 HD2 PRO A 60 11.497 -7.900 8.895 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.087 -7.911 8.158 1.00 0.00 H new ATOM 934 N GLN A 61 9.337 -10.194 7.512 1.00 0.00 N ATOM 935 CA GLN A 61 7.976 -10.688 7.692 1.00 0.00 C ATOM 936 C GLN A 61 7.074 -10.231 6.549 1.00 0.00 C ATOM 937 O GLN A 61 7.361 -9.240 5.876 1.00 0.00 O ATOM 938 CB GLN A 61 7.408 -10.208 9.028 1.00 0.00 C ATOM 939 CG GLN A 61 8.212 -10.671 10.232 1.00 0.00 C ATOM 940 CD GLN A 61 7.636 -10.174 11.544 1.00 0.00 C ATOM 941 OE1 GLN A 61 7.501 -8.970 11.759 1.00 0.00 O ATOM 942 NE2 GLN A 61 7.294 -11.102 12.430 1.00 0.00 N ATOM 0 H GLN A 61 9.675 -9.604 8.272 1.00 0.00 H new ATOM 0 HA GLN A 61 8.010 -11.777 7.690 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.367 -9.119 9.026 1.00 0.00 H new ATOM 0 HB3 GLN A 61 6.383 -10.565 9.127 1.00 0.00 H new ATOM 0 HG2 GLN A 61 8.246 -11.760 10.244 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.240 -10.321 10.135 1.00 0.00 H new ATOM 0 HE21 GLN A 61 7.423 -12.090 12.210 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.902 -10.827 13.331 1.00 0.00 H new ATOM 951 N ALA A 62 5.983 -10.958 6.337 1.00 0.00 N ATOM 952 CA ALA A 62 5.038 -10.628 5.277 1.00 0.00 C ATOM 953 C ALA A 62 3.915 -9.738 5.800 1.00 0.00 C ATOM 954 O ALA A 62 3.474 -8.813 5.118 1.00 0.00 O ATOM 955 CB ALA A 62 4.466 -11.898 4.665 1.00 0.00 C ATOM 0 H ALA A 62 5.731 -11.780 6.885 1.00 0.00 H new ATOM 0 HA ALA A 62 5.574 -10.076 4.505 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.762 -11.636 3.875 1.00 0.00 H new ATOM 0 HB2 ALA A 62 5.275 -12.496 4.246 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.950 -12.473 5.435 1.00 0.00 H new ATOM 961 N GLU A 63 3.457 -10.025 7.014 1.00 0.00 N ATOM 962 CA GLU A 63 2.386 -9.251 7.629 1.00 0.00 C ATOM 963 C GLU A 63 2.825 -7.808 7.863 1.00 0.00 C ATOM 964 O GLU A 63 2.086 -6.869 7.571 1.00 0.00 O ATOM 965 CB GLU A 63 1.961 -9.891 8.953 1.00 0.00 C ATOM 966 CG GLU A 63 0.615 -10.595 8.881 1.00 0.00 C ATOM 967 CD GLU A 63 0.706 -11.961 8.228 1.00 0.00 C ATOM 968 OE1 GLU A 63 1.155 -12.034 7.065 1.00 0.00 O ATOM 969 OE2 GLU A 63 0.327 -12.957 8.880 1.00 0.00 O ATOM 0 H GLU A 63 3.811 -10.788 7.591 1.00 0.00 H new ATOM 0 HA GLU A 63 1.535 -9.247 6.948 1.00 0.00 H new ATOM 0 HB2 GLU A 63 2.721 -10.608 9.261 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.919 -9.121 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 63 0.212 -10.704 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -0.086 -9.975 8.322 1.00 0.00 H new ATOM 976 N ASP A 64 4.033 -7.642 8.392 1.00 0.00 N ATOM 977 CA ASP A 64 4.571 -6.314 8.664 1.00 0.00 C ATOM 978 C ASP A 64 4.930 -5.595 7.368 1.00 0.00 C ATOM 979 O ASP A 64 4.856 -4.369 7.285 1.00 0.00 O ATOM 980 CB ASP A 64 5.804 -6.415 9.563 1.00 0.00 C ATOM 981 CG ASP A 64 5.452 -6.363 11.037 1.00 0.00 C ATOM 982 OD1 ASP A 64 4.754 -7.284 11.513 1.00 0.00 O ATOM 983 OD2 ASP A 64 5.873 -5.403 11.715 1.00 0.00 O ATOM 0 H ASP A 64 4.657 -8.409 8.641 1.00 0.00 H new ATOM 0 HA ASP A 64 3.802 -5.737 9.177 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.330 -7.346 9.351 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.490 -5.601 9.327 1.00 0.00 H new ATOM 988 N LYS A 65 5.317 -6.366 6.357 1.00 0.00 N ATOM 989 CA LYS A 65 5.688 -5.802 5.064 1.00 0.00 C ATOM 990 C LYS A 65 4.523 -5.028 4.454 1.00 0.00 C ATOM 991 O LYS A 65 4.696 -3.914 3.960 1.00 0.00 O ATOM 992 CB LYS A 65 6.136 -6.914 4.111 1.00 0.00 C ATOM 993 CG LYS A 65 7.548 -6.725 3.579 1.00 0.00 C ATOM 994 CD LYS A 65 8.076 -7.999 2.938 1.00 0.00 C ATOM 995 CE LYS A 65 9.335 -7.735 2.130 1.00 0.00 C ATOM 996 NZ LYS A 65 9.031 -7.478 0.695 1.00 0.00 N ATOM 0 H LYS A 65 5.382 -7.383 6.408 1.00 0.00 H new ATOM 0 HA LYS A 65 6.516 -5.111 5.219 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.077 -7.871 4.629 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.443 -6.963 3.271 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.557 -5.917 2.847 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.208 -6.425 4.393 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.287 -8.737 3.712 1.00 0.00 H new ATOM 0 HD3 LYS A 65 7.310 -8.427 2.291 1.00 0.00 H new ATOM 0 HE2 LYS A 65 9.862 -6.877 2.549 1.00 0.00 H new ATOM 0 HE3 LYS A 65 10.005 -8.591 2.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.917 -7.303 0.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.551 -8.306 0.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.413 -6.646 0.615 1.00 0.00 H new ATOM 1010 N LEU A 66 3.336 -5.625 4.494 1.00 0.00 N ATOM 1011 CA LEU A 66 2.142 -4.992 3.947 1.00 0.00 C ATOM 1012 C LEU A 66 1.820 -3.702 4.692 1.00 0.00 C ATOM 1013 O LEU A 66 1.281 -2.758 4.115 1.00 0.00 O ATOM 1014 CB LEU A 66 0.951 -5.950 4.024 1.00 0.00 C ATOM 1015 CG LEU A 66 -0.133 -5.719 2.971 1.00 0.00 C ATOM 1016 CD1 LEU A 66 0.452 -5.816 1.571 1.00 0.00 C ATOM 1017 CD2 LEU A 66 -1.267 -6.718 3.147 1.00 0.00 C ATOM 0 H LEU A 66 3.176 -6.547 4.900 1.00 0.00 H new ATOM 0 HA LEU A 66 2.337 -4.748 2.903 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.319 -6.971 3.927 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.500 -5.866 5.013 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.535 -4.715 3.105 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.335 -5.649 0.835 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.229 -5.062 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.881 -6.807 1.424 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.030 -6.539 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.879 -7.731 3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.705 -6.600 4.138 1.00 0.00 H new ATOM 1029 N ASP A 67 2.154 -3.667 5.978 1.00 0.00 N ATOM 1030 CA ASP A 67 1.901 -2.491 6.803 1.00 0.00 C ATOM 1031 C ASP A 67 2.691 -1.290 6.295 1.00 0.00 C ATOM 1032 O ASP A 67 2.206 -0.159 6.322 1.00 0.00 O ATOM 1033 CB ASP A 67 2.263 -2.778 8.261 1.00 0.00 C ATOM 1034 CG ASP A 67 1.267 -2.176 9.233 1.00 0.00 C ATOM 1035 OD1 ASP A 67 0.589 -1.197 8.858 1.00 0.00 O ATOM 1036 OD2 ASP A 67 1.165 -2.684 10.369 1.00 0.00 O ATOM 0 H ASP A 67 2.601 -4.440 6.472 1.00 0.00 H new ATOM 0 HA ASP A 67 0.839 -2.255 6.741 1.00 0.00 H new ATOM 0 HB2 ASP A 67 2.311 -3.856 8.415 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.256 -2.381 8.471 1.00 0.00 H new ATOM 1041 N ARG A 68 3.912 -1.543 5.834 1.00 0.00 N ATOM 1042 CA ARG A 68 4.770 -0.481 5.322 1.00 0.00 C ATOM 1043 C ARG A 68 4.260 0.028 3.977 1.00 0.00 C ATOM 1044 O ARG A 68 4.351 1.219 3.679 1.00 0.00 O ATOM 1045 CB ARG A 68 6.208 -0.982 5.178 1.00 0.00 C ATOM 1046 CG ARG A 68 7.253 0.096 5.413 1.00 0.00 C ATOM 1047 CD ARG A 68 7.800 0.043 6.831 1.00 0.00 C ATOM 1048 NE ARG A 68 7.169 1.036 7.699 1.00 0.00 N ATOM 1049 CZ ARG A 68 6.014 0.843 8.333 1.00 0.00 C ATOM 1050 NH1 ARG A 68 5.357 -0.302 8.201 1.00 0.00 N ATOM 1051 NH2 ARG A 68 5.515 1.800 9.103 1.00 0.00 N ATOM 0 H ARG A 68 4.329 -2.473 5.805 1.00 0.00 H new ATOM 0 HA ARG A 68 4.750 0.343 6.035 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.373 -1.796 5.884 1.00 0.00 H new ATOM 0 HB3 ARG A 68 6.342 -1.395 4.178 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.070 -0.027 4.702 1.00 0.00 H new ATOM 0 HG3 ARG A 68 6.814 1.076 5.228 1.00 0.00 H new ATOM 0 HD2 ARG A 68 7.641 -0.953 7.244 1.00 0.00 H new ATOM 0 HD3 ARG A 68 8.877 0.211 6.811 1.00 0.00 H new ATOM 0 HE ARG A 68 7.642 1.931 7.827 1.00 0.00 H new ATOM 0 HH11 ARG A 68 5.736 -1.042 7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 68 4.473 -0.442 8.690 1.00 0.00 H new ATOM 0 HH21 ARG A 68 6.016 2.682 9.209 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.630 1.654 9.589 1.00 0.00 H new ATOM 1065 N LEU A 69 3.723 -0.880 3.170 1.00 0.00 N ATOM 1066 CA LEU A 69 3.199 -0.520 1.857 1.00 0.00 C ATOM 1067 C LEU A 69 2.033 0.456 1.987 1.00 0.00 C ATOM 1068 O LEU A 69 1.872 1.358 1.166 1.00 0.00 O ATOM 1069 CB LEU A 69 2.748 -1.773 1.104 1.00 0.00 C ATOM 1070 CG LEU A 69 2.208 -1.520 -0.306 1.00 0.00 C ATOM 1071 CD1 LEU A 69 3.306 -0.980 -1.210 1.00 0.00 C ATOM 1072 CD2 LEU A 69 1.616 -2.797 -0.886 1.00 0.00 C ATOM 0 H LEU A 69 3.639 -1.870 3.401 1.00 0.00 H new ATOM 0 HA LEU A 69 3.997 -0.034 1.295 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.591 -2.461 1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.975 -2.272 1.689 1.00 0.00 H new ATOM 0 HG LEU A 69 1.418 -0.772 -0.244 1.00 0.00 H new ATOM 0 HD11 LEU A 69 2.903 -0.806 -2.208 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.684 -0.042 -0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.119 -1.704 -1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.237 -2.600 -1.889 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.387 -3.566 -0.935 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.800 -3.141 -0.251 1.00 0.00 H new ATOM 1084 N PHE A 70 1.225 0.269 3.025 1.00 0.00 N ATOM 1085 CA PHE A 70 0.075 1.132 3.264 1.00 0.00 C ATOM 1086 C PHE A 70 0.510 2.469 3.855 1.00 0.00 C ATOM 1087 O PHE A 70 -0.133 3.495 3.636 1.00 0.00 O ATOM 1088 CB PHE A 70 -0.919 0.446 4.203 1.00 0.00 C ATOM 1089 CG PHE A 70 -1.795 -0.563 3.517 1.00 0.00 C ATOM 1090 CD1 PHE A 70 -1.244 -1.531 2.691 1.00 0.00 C ATOM 1091 CD2 PHE A 70 -3.168 -0.545 3.700 1.00 0.00 C ATOM 1092 CE1 PHE A 70 -2.048 -2.460 2.060 1.00 0.00 C ATOM 1093 CE2 PHE A 70 -3.977 -1.472 3.071 1.00 0.00 C ATOM 1094 CZ PHE A 70 -3.416 -2.432 2.249 1.00 0.00 C ATOM 0 H PHE A 70 1.346 -0.473 3.714 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.411 1.319 2.306 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.368 -0.048 5.004 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -1.548 1.204 4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -0.175 -1.559 2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -3.611 0.202 4.342 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -1.607 -3.209 1.419 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -5.046 -1.447 3.221 1.00 0.00 H new ATOM 0 HZ PHE A 70 -4.046 -3.158 1.756 1.00 0.00 H new ATOM 1104 N GLU A 71 1.607 2.450 4.606 1.00 0.00 N ATOM 1105 CA GLU A 71 2.128 3.661 5.229 1.00 0.00 C ATOM 1106 C GLU A 71 2.678 4.621 4.177 1.00 0.00 C ATOM 1107 O GLU A 71 2.521 5.837 4.290 1.00 0.00 O ATOM 1108 CB GLU A 71 3.221 3.308 6.240 1.00 0.00 C ATOM 1109 CG GLU A 71 2.909 3.764 7.657 1.00 0.00 C ATOM 1110 CD GLU A 71 1.850 2.909 8.324 1.00 0.00 C ATOM 1111 OE1 GLU A 71 1.634 1.768 7.867 1.00 0.00 O ATOM 1112 OE2 GLU A 71 1.237 3.381 9.305 1.00 0.00 O ATOM 0 H GLU A 71 2.152 1.609 4.798 1.00 0.00 H new ATOM 0 HA GLU A 71 1.308 4.155 5.750 1.00 0.00 H new ATOM 0 HB2 GLU A 71 3.370 2.228 6.239 1.00 0.00 H new ATOM 0 HB3 GLU A 71 4.160 3.760 5.920 1.00 0.00 H new ATOM 0 HG2 GLU A 71 3.821 3.737 8.253 1.00 0.00 H new ATOM 0 HG3 GLU A 71 2.573 4.801 7.636 1.00 0.00 H new ATOM 1119 N ILE A 72 3.321 4.066 3.156 1.00 0.00 N ATOM 1120 CA ILE A 72 3.894 4.872 2.085 1.00 0.00 C ATOM 1121 C ILE A 72 2.815 5.349 1.120 1.00 0.00 C ATOM 1122 O ILE A 72 2.691 6.545 0.853 1.00 0.00 O ATOM 1123 CB ILE A 72 4.961 4.085 1.298 1.00 0.00 C ATOM 1124 CG1 ILE A 72 5.967 3.447 2.257 1.00 0.00 C ATOM 1125 CG2 ILE A 72 5.670 4.997 0.308 1.00 0.00 C ATOM 1126 CD1 ILE A 72 6.705 2.267 1.662 1.00 0.00 C ATOM 0 H ILE A 72 3.458 3.061 3.047 1.00 0.00 H new ATOM 0 HA ILE A 72 4.365 5.735 2.555 1.00 0.00 H new ATOM 0 HB ILE A 72 4.466 3.291 0.740 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.692 4.201 2.565 1.00 0.00 H new ATOM 0 HG13 ILE A 72 5.444 3.122 3.156 1.00 0.00 H new ATOM 0 HG21 ILE A 72 6.420 4.426 -0.240 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.943 5.408 -0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 72 6.155 5.811 0.846 1.00 0.00 H new ATOM 0 HD11 ILE A 72 7.401 1.865 2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 72 5.989 1.495 1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 72 7.257 2.590 0.779 1.00 0.00 H new ATOM 1138 N ILE A 73 2.036 4.407 0.599 1.00 0.00 N ATOM 1139 CA ILE A 73 0.967 4.731 -0.336 1.00 0.00 C ATOM 1140 C ILE A 73 -0.181 5.445 0.369 1.00 0.00 C ATOM 1141 O ILE A 73 -0.889 6.251 -0.236 1.00 0.00 O ATOM 1142 CB ILE A 73 0.424 3.464 -1.026 1.00 0.00 C ATOM 1143 CG1 ILE A 73 1.574 2.640 -1.608 1.00 0.00 C ATOM 1144 CG2 ILE A 73 -0.571 3.837 -2.115 1.00 0.00 C ATOM 1145 CD1 ILE A 73 1.125 1.353 -2.264 1.00 0.00 C ATOM 0 H ILE A 73 2.126 3.413 0.809 1.00 0.00 H new ATOM 0 HA ILE A 73 1.393 5.393 -1.090 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.092 2.858 -0.282 1.00 0.00 H new ATOM 0 HG12 ILE A 73 2.108 3.244 -2.341 1.00 0.00 H new ATOM 0 HG13 ILE A 73 2.281 2.405 -0.812 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -0.945 2.931 -2.592 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -1.404 4.385 -1.675 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -0.078 4.462 -2.859 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.993 0.821 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 73 0.616 0.728 -1.530 1.00 0.00 H new ATOM 0 HD13 ILE A 73 0.442 1.581 -3.082 1.00 0.00 H new ATOM 1157 N GLY A 74 -0.361 5.145 1.651 1.00 0.00 N ATOM 1158 CA GLY A 74 -1.425 5.768 2.418 1.00 0.00 C ATOM 1159 C GLY A 74 -1.320 7.281 2.443 1.00 0.00 C ATOM 1160 O GLY A 74 -2.303 7.972 2.710 1.00 0.00 O ATOM 0 H GLY A 74 0.211 4.481 2.173 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -2.388 5.482 1.995 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.400 5.389 3.440 1.00 0.00 H new ATOM 1164 N VAL A 75 -0.127 7.798 2.168 1.00 0.00 N ATOM 1165 CA VAL A 75 0.098 9.239 2.162 1.00 0.00 C ATOM 1166 C VAL A 75 0.597 9.713 0.800 1.00 0.00 C ATOM 1167 O VAL A 75 1.472 10.575 0.712 1.00 0.00 O ATOM 1168 CB VAL A 75 1.113 9.655 3.246 1.00 0.00 C ATOM 1169 CG1 VAL A 75 0.583 9.321 4.631 1.00 0.00 C ATOM 1170 CG2 VAL A 75 2.459 8.986 3.007 1.00 0.00 C ATOM 0 H VAL A 75 0.698 7.241 1.947 1.00 0.00 H new ATOM 0 HA VAL A 75 -0.861 9.710 2.376 1.00 0.00 H new ATOM 0 HB VAL A 75 1.255 10.734 3.187 1.00 0.00 H new ATOM 0 HG11 VAL A 75 1.313 9.622 5.382 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -0.353 9.854 4.801 1.00 0.00 H new ATOM 0 HG13 VAL A 75 0.408 8.248 4.705 1.00 0.00 H new ATOM 0 HG21 VAL A 75 3.161 9.293 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 75 2.337 7.903 3.035 1.00 0.00 H new ATOM 0 HG23 VAL A 75 2.844 9.282 2.031 1.00 0.00 H new ATOM 1180 N LYS A 76 0.034 9.144 -0.261 1.00 0.00 N ATOM 1181 CA LYS A 76 0.422 9.508 -1.619 1.00 0.00 C ATOM 1182 C LYS A 76 -0.738 10.174 -2.355 1.00 0.00 C ATOM 1183 O LYS A 76 -0.726 11.381 -2.590 1.00 0.00 O ATOM 1184 CB LYS A 76 0.890 8.270 -2.388 1.00 0.00 C ATOM 1185 CG LYS A 76 2.296 8.399 -2.949 1.00 0.00 C ATOM 1186 CD LYS A 76 2.780 7.088 -3.546 1.00 0.00 C ATOM 1187 CE LYS A 76 3.642 6.312 -2.564 1.00 0.00 C ATOM 1188 NZ LYS A 76 4.990 6.924 -2.403 1.00 0.00 N ATOM 0 H LYS A 76 -0.692 8.430 -0.207 1.00 0.00 H new ATOM 0 HA LYS A 76 1.246 10.219 -1.558 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.850 7.405 -1.726 1.00 0.00 H new ATOM 0 HB3 LYS A 76 0.197 8.078 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 76 2.314 9.176 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.977 8.713 -2.158 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.923 6.481 -3.837 1.00 0.00 H new ATOM 0 HD3 LYS A 76 3.351 7.289 -4.453 1.00 0.00 H new ATOM 0 HE2 LYS A 76 3.143 6.273 -1.596 1.00 0.00 H new ATOM 0 HE3 LYS A 76 3.749 5.284 -2.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 5.717 6.183 -2.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 5.144 7.626 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 5.051 7.391 -1.476 1.00 0.00 H new ATOM 1202 N SER A 77 -1.737 9.375 -2.716 1.00 0.00 N ATOM 1203 CA SER A 77 -2.905 9.886 -3.426 1.00 0.00 C ATOM 1204 C SER A 77 -4.037 8.864 -3.415 1.00 0.00 C ATOM 1205 O SER A 77 -3.797 7.658 -3.345 1.00 0.00 O ATOM 1206 CB SER A 77 -2.535 10.238 -4.868 1.00 0.00 C ATOM 1207 OG SER A 77 -3.384 11.253 -5.378 1.00 0.00 O ATOM 0 H SER A 77 -1.762 8.373 -2.529 1.00 0.00 H new ATOM 0 HA SER A 77 -3.247 10.786 -2.915 1.00 0.00 H new ATOM 0 HB2 SER A 77 -1.498 10.571 -4.910 1.00 0.00 H new ATOM 0 HB3 SER A 77 -2.609 9.349 -5.494 1.00 0.00 H new ATOM 0 HG SER A 77 -3.127 11.462 -6.300 1.00 0.00 H new ATOM 1213 N GLN A 78 -5.270 9.355 -3.484 1.00 0.00 N ATOM 1214 CA GLN A 78 -6.440 8.484 -3.483 1.00 0.00 C ATOM 1215 C GLN A 78 -6.398 7.505 -4.653 1.00 0.00 C ATOM 1216 O GLN A 78 -7.005 6.436 -4.602 1.00 0.00 O ATOM 1217 CB GLN A 78 -7.721 9.317 -3.546 1.00 0.00 C ATOM 1218 CG GLN A 78 -7.846 10.144 -4.816 1.00 0.00 C ATOM 1219 CD GLN A 78 -9.277 10.252 -5.303 1.00 0.00 C ATOM 1220 OE1 GLN A 78 -9.838 9.294 -5.836 1.00 0.00 O ATOM 1221 NE2 GLN A 78 -9.879 11.423 -5.121 1.00 0.00 N ATOM 0 H GLN A 78 -5.485 10.350 -3.541 1.00 0.00 H new ATOM 0 HA GLN A 78 -6.431 7.910 -2.556 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -8.581 8.652 -3.469 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -7.755 9.983 -2.684 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -7.452 11.144 -4.634 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -7.233 9.697 -5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -9.377 12.191 -4.675 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -10.843 11.554 -5.428 1.00 0.00 H new ATOM 1230 N GLU A 79 -5.678 7.877 -5.708 1.00 0.00 N ATOM 1231 CA GLU A 79 -5.560 7.030 -6.889 1.00 0.00 C ATOM 1232 C GLU A 79 -4.821 5.737 -6.562 1.00 0.00 C ATOM 1233 O GLU A 79 -5.091 4.690 -7.152 1.00 0.00 O ATOM 1234 CB GLU A 79 -4.832 7.777 -8.007 1.00 0.00 C ATOM 1235 CG GLU A 79 -5.350 7.446 -9.398 1.00 0.00 C ATOM 1236 CD GLU A 79 -4.233 7.230 -10.400 1.00 0.00 C ATOM 1237 OE1 GLU A 79 -3.216 6.606 -10.031 1.00 0.00 O ATOM 1238 OE2 GLU A 79 -4.376 7.683 -11.554 1.00 0.00 O ATOM 0 H GLU A 79 -5.168 8.759 -5.768 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.566 6.777 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.928 8.850 -7.838 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.769 7.541 -7.958 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.967 6.549 -9.348 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -5.992 8.255 -9.745 1.00 0.00 H new ATOM 1245 N ALA A 80 -3.888 5.814 -5.619 1.00 0.00 N ATOM 1246 CA ALA A 80 -3.110 4.650 -5.216 1.00 0.00 C ATOM 1247 C ALA A 80 -3.700 4.002 -3.967 1.00 0.00 C ATOM 1248 O ALA A 80 -3.622 2.786 -3.791 1.00 0.00 O ATOM 1249 CB ALA A 80 -1.660 5.040 -4.974 1.00 0.00 C ATOM 0 H ALA A 80 -3.653 6.672 -5.120 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.148 3.921 -6.026 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -1.092 4.160 -4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.236 5.450 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.612 5.790 -4.184 1.00 0.00 H new ATOM 1255 N SER A 81 -4.290 4.821 -3.105 1.00 0.00 N ATOM 1256 CA SER A 81 -4.893 4.329 -1.872 1.00 0.00 C ATOM 1257 C SER A 81 -6.076 3.415 -2.172 1.00 0.00 C ATOM 1258 O SER A 81 -6.199 2.333 -1.598 1.00 0.00 O ATOM 1259 CB SER A 81 -5.346 5.499 -0.998 1.00 0.00 C ATOM 1260 OG SER A 81 -6.229 5.063 0.021 1.00 0.00 O ATOM 0 H SER A 81 -4.364 5.830 -3.237 1.00 0.00 H new ATOM 0 HA SER A 81 -4.140 3.754 -1.334 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.477 5.979 -0.549 1.00 0.00 H new ATOM 0 HB3 SER A 81 -5.841 6.248 -1.616 1.00 0.00 H new ATOM 0 HG SER A 81 -7.091 5.520 -0.075 1.00 0.00 H new ATOM 1266 N GLN A 82 -6.946 3.858 -3.073 1.00 0.00 N ATOM 1267 CA GLN A 82 -8.120 3.079 -3.450 1.00 0.00 C ATOM 1268 C GLN A 82 -7.714 1.775 -4.129 1.00 0.00 C ATOM 1269 O GLN A 82 -8.358 0.742 -3.947 1.00 0.00 O ATOM 1270 CB GLN A 82 -9.023 3.897 -4.378 1.00 0.00 C ATOM 1271 CG GLN A 82 -10.468 3.967 -3.913 1.00 0.00 C ATOM 1272 CD GLN A 82 -11.084 2.597 -3.712 1.00 0.00 C ATOM 1273 OE1 GLN A 82 -11.634 2.009 -4.643 1.00 0.00 O ATOM 1274 NE2 GLN A 82 -10.995 2.080 -2.492 1.00 0.00 N ATOM 0 H GLN A 82 -6.861 4.752 -3.556 1.00 0.00 H new ATOM 0 HA GLN A 82 -8.672 2.835 -2.542 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -8.626 4.909 -4.458 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -8.992 3.463 -5.377 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -10.518 4.524 -2.978 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.055 4.521 -4.646 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -10.530 2.602 -1.749 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -11.391 1.161 -2.298 1.00 0.00 H new ATOM 1283 N THR A 83 -6.642 1.831 -4.912 1.00 0.00 N ATOM 1284 CA THR A 83 -6.149 0.653 -5.618 1.00 0.00 C ATOM 1285 C THR A 83 -5.467 -0.314 -4.656 1.00 0.00 C ATOM 1286 O THR A 83 -5.500 -1.528 -4.855 1.00 0.00 O ATOM 1287 CB THR A 83 -5.173 1.068 -6.721 1.00 0.00 C ATOM 1288 OG1 THR A 83 -5.774 2.006 -7.596 1.00 0.00 O ATOM 1289 CG2 THR A 83 -4.689 -0.095 -7.560 1.00 0.00 C ATOM 0 H THR A 83 -6.098 2.678 -5.074 1.00 0.00 H new ATOM 0 HA THR A 83 -7.002 0.145 -6.068 1.00 0.00 H new ATOM 0 HB THR A 83 -4.319 1.502 -6.202 1.00 0.00 H new ATOM 0 HG1 THR A 83 -5.464 2.908 -7.371 1.00 0.00 H new ATOM 0 HG21 THR A 83 -4.001 0.268 -8.323 1.00 0.00 H new ATOM 0 HG22 THR A 83 -4.177 -0.815 -6.922 1.00 0.00 H new ATOM 0 HG23 THR A 83 -5.541 -0.577 -8.040 1.00 0.00 H new ATOM 1297 N LEU A 84 -4.847 0.231 -3.615 1.00 0.00 N ATOM 1298 CA LEU A 84 -4.158 -0.585 -2.623 1.00 0.00 C ATOM 1299 C LEU A 84 -5.126 -1.537 -1.930 1.00 0.00 C ATOM 1300 O LEU A 84 -4.748 -2.635 -1.521 1.00 0.00 O ATOM 1301 CB LEU A 84 -3.470 0.305 -1.586 1.00 0.00 C ATOM 1302 CG LEU A 84 -2.687 -0.443 -0.507 1.00 0.00 C ATOM 1303 CD1 LEU A 84 -1.584 -1.281 -1.133 1.00 0.00 C ATOM 1304 CD2 LEU A 84 -2.109 0.534 0.506 1.00 0.00 C ATOM 0 H LEU A 84 -4.808 1.235 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.404 -1.178 -3.141 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.790 0.981 -2.104 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.226 0.923 -1.102 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.371 -1.112 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.037 -1.806 -0.350 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -2.023 -2.006 -1.818 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.900 -0.632 -1.680 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -1.555 -0.016 1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -1.439 1.229 -0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.919 1.090 0.978 1.00 0.00 H new ATOM 1316 N LEU A 85 -6.379 -1.110 -1.801 1.00 0.00 N ATOM 1317 CA LEU A 85 -7.402 -1.926 -1.157 1.00 0.00 C ATOM 1318 C LEU A 85 -8.100 -2.826 -2.173 1.00 0.00 C ATOM 1319 O LEU A 85 -8.535 -3.929 -1.843 1.00 0.00 O ATOM 1320 CB LEU A 85 -8.429 -1.034 -0.457 1.00 0.00 C ATOM 1321 CG LEU A 85 -7.838 0.023 0.477 1.00 0.00 C ATOM 1322 CD1 LEU A 85 -8.924 0.969 0.966 1.00 0.00 C ATOM 1323 CD2 LEU A 85 -7.137 -0.640 1.653 1.00 0.00 C ATOM 0 H LEU A 85 -6.710 -0.204 -2.134 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.914 -2.558 -0.415 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.029 -0.532 -1.216 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.106 -1.667 0.117 1.00 0.00 H new ATOM 0 HG LEU A 85 -7.102 0.604 -0.079 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.486 1.714 1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.383 1.468 0.113 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -9.683 0.403 1.507 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -6.722 0.126 2.308 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -7.853 -1.244 2.210 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -6.333 -1.277 1.285 1.00 0.00 H new ATOM 1335 N ASP A 86 -8.203 -2.347 -3.408 1.00 0.00 N ATOM 1336 CA ASP A 86 -8.849 -3.108 -4.471 1.00 0.00 C ATOM 1337 C ASP A 86 -7.960 -4.260 -4.932 1.00 0.00 C ATOM 1338 O ASP A 86 -8.449 -5.340 -5.262 1.00 0.00 O ATOM 1339 CB ASP A 86 -9.178 -2.195 -5.654 1.00 0.00 C ATOM 1340 CG ASP A 86 -10.648 -1.827 -5.707 1.00 0.00 C ATOM 1341 OD1 ASP A 86 -11.486 -2.746 -5.819 1.00 0.00 O ATOM 1342 OD2 ASP A 86 -10.961 -0.620 -5.638 1.00 0.00 O ATOM 0 H ASP A 86 -7.848 -1.436 -3.697 1.00 0.00 H new ATOM 0 HA ASP A 86 -9.776 -3.524 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.581 -1.286 -5.585 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -8.897 -2.692 -6.582 1.00 0.00 H new ATOM 1347 N SER A 87 -6.653 -4.021 -4.953 1.00 0.00 N ATOM 1348 CA SER A 87 -5.697 -5.038 -5.374 1.00 0.00 C ATOM 1349 C SER A 87 -5.768 -6.263 -4.467 1.00 0.00 C ATOM 1350 O SER A 87 -5.669 -7.399 -4.930 1.00 0.00 O ATOM 1351 CB SER A 87 -4.278 -4.468 -5.370 1.00 0.00 C ATOM 1352 OG SER A 87 -3.525 -4.963 -6.464 1.00 0.00 O ATOM 0 H SER A 87 -6.232 -3.132 -4.683 1.00 0.00 H new ATOM 0 HA SER A 87 -5.955 -5.344 -6.388 1.00 0.00 H new ATOM 0 HB2 SER A 87 -4.320 -3.380 -5.416 1.00 0.00 H new ATOM 0 HB3 SER A 87 -3.781 -4.728 -4.435 1.00 0.00 H new ATOM 0 HG SER A 87 -3.258 -4.218 -7.041 1.00 0.00 H new ATOM 1358 N VAL A 88 -5.940 -6.023 -3.171 1.00 0.00 N ATOM 1359 CA VAL A 88 -6.024 -7.105 -2.197 1.00 0.00 C ATOM 1360 C VAL A 88 -7.262 -7.963 -2.436 1.00 0.00 C ATOM 1361 O VAL A 88 -7.196 -9.192 -2.392 1.00 0.00 O ATOM 1362 CB VAL A 88 -6.058 -6.565 -0.755 1.00 0.00 C ATOM 1363 CG1 VAL A 88 -5.987 -7.707 0.247 1.00 0.00 C ATOM 1364 CG2 VAL A 88 -4.923 -5.576 -0.526 1.00 0.00 C ATOM 0 H VAL A 88 -6.024 -5.088 -2.771 1.00 0.00 H new ATOM 0 HA VAL A 88 -5.130 -7.715 -2.326 1.00 0.00 H new ATOM 0 HB VAL A 88 -7.002 -6.041 -0.608 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -6.012 -7.305 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -6.837 -8.373 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -5.061 -8.263 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -4.964 -5.206 0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -3.968 -6.073 -0.694 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -5.024 -4.740 -1.218 1.00 0.00 H new ATOM 1374 N TYR A 89 -8.391 -7.308 -2.688 1.00 0.00 N ATOM 1375 CA TYR A 89 -9.644 -8.011 -2.932 1.00 0.00 C ATOM 1376 C TYR A 89 -9.690 -8.564 -4.354 1.00 0.00 C ATOM 1377 O TYR A 89 -10.299 -9.603 -4.607 1.00 0.00 O ATOM 1378 CB TYR A 89 -10.832 -7.075 -2.699 1.00 0.00 C ATOM 1379 CG TYR A 89 -11.152 -6.856 -1.237 1.00 0.00 C ATOM 1380 CD1 TYR A 89 -11.681 -7.879 -0.462 1.00 0.00 C ATOM 1381 CD2 TYR A 89 -10.926 -5.625 -0.635 1.00 0.00 C ATOM 1382 CE1 TYR A 89 -11.976 -7.682 0.874 1.00 0.00 C ATOM 1383 CE2 TYR A 89 -11.218 -5.420 0.700 1.00 0.00 C ATOM 1384 CZ TYR A 89 -11.743 -6.451 1.450 1.00 0.00 C ATOM 1385 OH TYR A 89 -12.034 -6.251 2.780 1.00 0.00 O ATOM 0 H TYR A 89 -8.463 -6.291 -2.728 1.00 0.00 H new ATOM 0 HA TYR A 89 -9.705 -8.846 -2.234 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -10.622 -6.112 -3.165 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -11.710 -7.485 -3.197 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -11.865 -8.844 -0.910 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.515 -4.815 -1.220 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -12.387 -8.488 1.464 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.036 -4.457 1.154 1.00 0.00 H new ATOM 0 HH TYR A 89 -11.810 -5.330 3.029 1.00 0.00 H new ATOM 1395 N SER A 90 -9.041 -7.863 -5.277 1.00 0.00 N ATOM 1396 CA SER A 90 -9.008 -8.284 -6.673 1.00 0.00 C ATOM 1397 C SER A 90 -8.244 -9.595 -6.828 1.00 0.00 C ATOM 1398 O SER A 90 -8.620 -10.453 -7.628 1.00 0.00 O ATOM 1399 CB SER A 90 -8.364 -7.200 -7.540 1.00 0.00 C ATOM 1400 OG SER A 90 -8.567 -7.460 -8.918 1.00 0.00 O ATOM 0 H SER A 90 -8.531 -7.001 -5.084 1.00 0.00 H new ATOM 0 HA SER A 90 -10.035 -8.441 -7.003 1.00 0.00 H new ATOM 0 HB2 SER A 90 -8.785 -6.228 -7.284 1.00 0.00 H new ATOM 0 HB3 SER A 90 -7.296 -7.149 -7.330 1.00 0.00 H new ATOM 0 HG SER A 90 -8.147 -6.752 -9.450 1.00 0.00 H new ATOM 1406 N HIS A 91 -7.171 -9.743 -6.058 1.00 0.00 N ATOM 1407 CA HIS A 91 -6.354 -10.951 -6.111 1.00 0.00 C ATOM 1408 C HIS A 91 -6.870 -12.000 -5.131 1.00 0.00 C ATOM 1409 O HIS A 91 -6.855 -13.196 -5.421 1.00 0.00 O ATOM 1410 CB HIS A 91 -4.894 -10.619 -5.799 1.00 0.00 C ATOM 1411 CG HIS A 91 -4.268 -9.687 -6.789 1.00 0.00 C ATOM 1412 ND1 HIS A 91 -4.209 -9.931 -8.144 1.00 0.00 N ATOM 1413 CD2 HIS A 91 -3.664 -8.485 -6.600 1.00 0.00 C ATOM 1414 CE1 HIS A 91 -3.585 -8.896 -8.722 1.00 0.00 C ATOM 1415 NE2 HIS A 91 -3.235 -7.991 -7.828 1.00 0.00 N ATOM 0 H HIS A 91 -6.847 -9.043 -5.391 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.419 -11.359 -7.120 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -4.835 -10.174 -4.806 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -4.318 -11.544 -5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -3.537 -7.991 -5.648 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.393 -8.813 -9.782 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -2.750 -7.111 -8.001 1.00 0.00 H new ATOM 1423 N LEU A 92 -7.326 -11.542 -3.969 1.00 0.00 N ATOM 1424 CA LEU A 92 -7.847 -12.442 -2.946 1.00 0.00 C ATOM 1425 C LEU A 92 -9.370 -12.364 -2.874 1.00 0.00 C ATOM 1426 O LEU A 92 -9.924 -11.573 -2.110 1.00 0.00 O ATOM 1427 CB LEU A 92 -7.243 -12.101 -1.582 1.00 0.00 C ATOM 1428 CG LEU A 92 -5.715 -12.121 -1.527 1.00 0.00 C ATOM 1429 CD1 LEU A 92 -5.216 -11.388 -0.292 1.00 0.00 C ATOM 1430 CD2 LEU A 92 -5.201 -13.553 -1.545 1.00 0.00 C ATOM 0 H LEU A 92 -7.345 -10.555 -3.713 1.00 0.00 H new ATOM 0 HA LEU A 92 -7.566 -13.460 -3.217 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -7.589 -11.111 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -7.627 -12.806 -0.845 1.00 0.00 H new ATOM 0 HG LEU A 92 -5.331 -11.607 -2.408 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -4.127 -11.413 -0.270 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.555 -10.353 -0.322 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -5.608 -11.873 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.112 -13.549 -1.505 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.594 -14.091 -0.682 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -5.529 -14.046 -2.460 1.00 0.00 H new ATOM 1442 N PRO A 93 -10.070 -13.186 -3.674 1.00 0.00 N ATOM 1443 CA PRO A 93 -11.537 -13.206 -3.697 1.00 0.00 C ATOM 1444 C PRO A 93 -12.129 -13.770 -2.410 1.00 0.00 C ATOM 1445 O PRO A 93 -13.251 -13.431 -2.031 1.00 0.00 O ATOM 1446 CB PRO A 93 -11.864 -14.118 -4.881 1.00 0.00 C ATOM 1447 CG PRO A 93 -10.671 -14.999 -5.021 1.00 0.00 C ATOM 1448 CD PRO A 93 -9.490 -14.161 -4.617 1.00 0.00 C ATOM 0 HA PRO A 93 -11.956 -12.204 -3.787 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -12.766 -14.700 -4.695 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.039 -13.541 -5.789 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -10.760 -15.881 -4.386 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -10.566 -15.354 -6.046 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -8.713 -14.763 -4.146 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -9.035 -13.668 -5.476 1.00 0.00 H new ATOM 1456 N ASP A 94 -11.369 -14.631 -1.741 1.00 0.00 N ATOM 1457 CA ASP A 94 -11.821 -15.243 -0.495 1.00 0.00 C ATOM 1458 C ASP A 94 -12.124 -14.178 0.555 1.00 0.00 C ATOM 1459 O ASP A 94 -13.001 -14.357 1.400 1.00 0.00 O ATOM 1460 CB ASP A 94 -10.763 -16.211 0.035 1.00 0.00 C ATOM 1461 CG ASP A 94 -11.374 -17.439 0.682 1.00 0.00 C ATOM 1462 OD1 ASP A 94 -12.357 -17.975 0.127 1.00 0.00 O ATOM 1463 OD2 ASP A 94 -10.870 -17.864 1.743 1.00 0.00 O ATOM 0 H ASP A 94 -10.438 -14.921 -2.040 1.00 0.00 H new ATOM 0 HA ASP A 94 -12.738 -15.795 -0.702 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -10.115 -16.520 -0.785 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -10.135 -15.696 0.761 1.00 0.00 H new ATOM 1468 N LEU A 95 -11.395 -13.069 0.494 1.00 0.00 N ATOM 1469 CA LEU A 95 -11.585 -11.974 1.438 1.00 0.00 C ATOM 1470 C LEU A 95 -12.994 -11.400 1.332 1.00 0.00 C ATOM 1471 O LEU A 95 -13.535 -10.873 2.304 1.00 0.00 O ATOM 1472 CB LEU A 95 -10.550 -10.874 1.189 1.00 0.00 C ATOM 1473 CG LEU A 95 -9.092 -11.324 1.287 1.00 0.00 C ATOM 1474 CD1 LEU A 95 -8.153 -10.144 1.097 1.00 0.00 C ATOM 1475 CD2 LEU A 95 -8.834 -12.004 2.624 1.00 0.00 C ATOM 0 H LEU A 95 -10.666 -12.905 -0.200 1.00 0.00 H new ATOM 0 HA LEU A 95 -11.451 -12.368 2.445 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -10.719 -10.455 0.197 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -10.716 -10.071 1.907 1.00 0.00 H new ATOM 0 HG LEU A 95 -8.900 -12.044 0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -7.120 -10.485 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -8.320 -9.701 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -8.344 -9.399 1.869 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -7.792 -12.318 2.677 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -9.044 -11.306 3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -9.481 -12.876 2.720 1.00 0.00 H new