USER MOD reduce.3.24.130724 H: found=0, std=0, add=396, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 397 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 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 48 THR OG1 : rot -114:sc= 0.669 USER MOD Set 2.2: A 50 SER OG : rot 137:sc= 0.651 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -1.24 K(o=-1.2,f=0.094) USER MOD Single : A 37 GLN : amide:sc= -0.471 X(o=-0.47,f=0) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= 1.3 (180deg=0.126) USER MOD Single : A 51 HIS : no HD1:sc= -0.0352 K(o=-0.035,f=-1!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N PRO A 17 10.368 -5.846 -2.051 1.00 0.00 N ATOM 211 CA PRO A 17 9.111 -5.280 -1.553 1.00 0.00 C ATOM 212 C PRO A 17 7.888 -5.954 -2.166 1.00 0.00 C ATOM 213 O PRO A 17 8.011 -6.934 -2.901 1.00 0.00 O ATOM 214 CB PRO A 17 9.187 -3.814 -1.984 1.00 0.00 C ATOM 215 CG PRO A 17 10.092 -3.813 -3.167 1.00 0.00 C ATOM 216 CD PRO A 17 11.095 -4.907 -2.922 1.00 0.00 C ATOM 0 HA PRO A 17 9.000 -5.417 -0.477 1.00 0.00 H new ATOM 0 HB2 PRO A 17 8.201 -3.425 -2.239 1.00 0.00 H new ATOM 0 HB3 PRO A 17 9.580 -3.186 -1.184 1.00 0.00 H new ATOM 0 HG2 PRO A 17 9.534 -3.994 -4.086 1.00 0.00 H new ATOM 0 HG3 PRO A 17 10.586 -2.848 -3.279 1.00 0.00 H new ATOM 0 HD2 PRO A 17 11.408 -5.381 -3.852 1.00 0.00 H new ATOM 0 HD3 PRO A 17 11.995 -4.526 -2.440 1.00 0.00 H new ATOM 224 N ILE A 18 6.710 -5.421 -1.860 1.00 0.00 N ATOM 225 CA ILE A 18 5.465 -5.971 -2.384 1.00 0.00 C ATOM 226 C ILE A 18 4.629 -4.890 -3.061 1.00 0.00 C ATOM 227 O ILE A 18 4.796 -3.702 -2.789 1.00 0.00 O ATOM 228 CB ILE A 18 4.628 -6.629 -1.271 1.00 0.00 C ATOM 229 CG1 ILE A 18 5.543 -7.302 -0.246 1.00 0.00 C ATOM 230 CG2 ILE A 18 3.657 -7.638 -1.865 1.00 0.00 C ATOM 231 CD1 ILE A 18 4.829 -7.714 1.023 1.00 0.00 C ATOM 0 H ILE A 18 6.591 -4.610 -1.253 1.00 0.00 H new ATOM 0 HA ILE A 18 5.739 -6.729 -3.118 1.00 0.00 H new ATOM 0 HB ILE A 18 4.052 -5.855 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 18 5.998 -8.183 -0.700 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.354 -6.620 0.008 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.073 -8.095 -1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.987 -7.133 -2.561 1.00 0.00 H new ATOM 0 HG23 ILE A 18 4.214 -8.411 -2.394 1.00 0.00 H new ATOM 0 HD11 ILE A 18 5.539 -8.184 1.704 1.00 0.00 H new ATOM 0 HD12 ILE A 18 4.398 -6.834 1.500 1.00 0.00 H new ATOM 0 HD13 ILE A 18 4.036 -8.421 0.781 1.00 0.00 H new ATOM 243 N GLU A 19 3.729 -5.312 -3.943 1.00 0.00 N ATOM 244 CA GLU A 19 2.866 -4.379 -4.659 1.00 0.00 C ATOM 245 C GLU A 19 1.407 -4.564 -4.250 1.00 0.00 C ATOM 246 O GLU A 19 0.851 -5.656 -4.370 1.00 0.00 O ATOM 247 CB GLU A 19 3.012 -4.571 -6.170 1.00 0.00 C ATOM 248 CG GLU A 19 4.108 -3.720 -6.789 1.00 0.00 C ATOM 249 CD GLU A 19 4.065 -3.725 -8.304 1.00 0.00 C ATOM 250 OE1 GLU A 19 3.286 -2.937 -8.880 1.00 0.00 O ATOM 251 OE2 GLU A 19 4.811 -4.519 -8.915 1.00 0.00 O ATOM 0 H GLU A 19 3.578 -6.293 -4.179 1.00 0.00 H new ATOM 0 HA GLU A 19 3.173 -3.366 -4.398 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.219 -5.621 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.063 -4.333 -6.651 1.00 0.00 H new ATOM 0 HG2 GLU A 19 4.013 -2.695 -6.430 1.00 0.00 H new ATOM 0 HG3 GLU A 19 5.079 -4.086 -6.456 1.00 0.00 H new ATOM 258 N VAL A 20 0.794 -3.490 -3.766 1.00 0.00 N ATOM 259 CA VAL A 20 -0.600 -3.532 -3.339 1.00 0.00 C ATOM 260 C VAL A 20 -1.411 -2.424 -4.001 1.00 0.00 C ATOM 261 O VAL A 20 -0.886 -1.353 -4.308 1.00 0.00 O ATOM 262 CB VAL A 20 -0.723 -3.400 -1.810 1.00 0.00 C ATOM 263 CG1 VAL A 20 -0.125 -4.616 -1.119 1.00 0.00 C ATOM 264 CG2 VAL A 20 -0.053 -2.121 -1.330 1.00 0.00 C ATOM 0 H VAL A 20 1.240 -2.579 -3.659 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.996 -4.500 -3.645 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.781 -3.348 -1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -0.221 -4.505 -0.039 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -0.654 -5.514 -1.440 1.00 0.00 H new ATOM 0 HG13 VAL A 20 0.929 -4.702 -1.382 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -0.150 -2.044 -0.247 1.00 0.00 H new ATOM 0 HG22 VAL A 20 1.003 -2.140 -1.600 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -0.532 -1.261 -1.799 1.00 0.00 H new ATOM 274 N THR A 21 -2.696 -2.687 -4.218 1.00 0.00 N ATOM 275 CA THR A 21 -3.581 -1.713 -4.844 1.00 0.00 C ATOM 276 C THR A 21 -4.512 -1.077 -3.819 1.00 0.00 C ATOM 277 O THR A 21 -5.322 -1.761 -3.193 1.00 0.00 O ATOM 278 CB THR A 21 -4.427 -2.357 -5.959 1.00 0.00 C ATOM 279 OG1 THR A 21 -3.577 -3.049 -6.881 1.00 0.00 O ATOM 280 CG2 THR A 21 -5.237 -1.304 -6.700 1.00 0.00 C ATOM 0 H THR A 21 -3.147 -3.567 -3.969 1.00 0.00 H new ATOM 0 HA THR A 21 -2.945 -0.943 -5.280 1.00 0.00 H new ATOM 0 HB THR A 21 -5.116 -3.065 -5.499 1.00 0.00 H new ATOM 0 HG1 THR A 21 -4.122 -3.457 -7.586 1.00 0.00 H new ATOM 0 HG21 THR A 21 -5.826 -1.782 -7.482 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.904 -0.799 -6.001 1.00 0.00 H new ATOM 0 HG23 THR A 21 -4.562 -0.575 -7.148 1.00 0.00 H new ATOM 288 N ALA A 22 -4.392 0.236 -3.651 1.00 0.00 N ATOM 289 CA ALA A 22 -5.226 0.964 -2.703 1.00 0.00 C ATOM 290 C ALA A 22 -6.705 0.802 -3.035 1.00 0.00 C ATOM 291 O ALA A 22 -7.178 1.290 -4.063 1.00 0.00 O ATOM 292 CB ALA A 22 -4.844 2.437 -2.688 1.00 0.00 C ATOM 0 H ALA A 22 -3.725 0.817 -4.159 1.00 0.00 H new ATOM 0 HA ALA A 22 -5.056 0.545 -1.711 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.475 2.969 -1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.799 2.539 -2.395 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -4.984 2.859 -3.683 1.00 0.00 H new ATOM 298 N LEU A 23 -7.431 0.115 -2.160 1.00 0.00 N ATOM 299 CA LEU A 23 -8.858 -0.112 -2.361 1.00 0.00 C ATOM 300 C LEU A 23 -9.637 1.196 -2.261 1.00 0.00 C ATOM 301 O LEU A 23 -10.636 1.390 -2.954 1.00 0.00 O ATOM 302 CB LEU A 23 -9.385 -1.113 -1.331 1.00 0.00 C ATOM 303 CG LEU A 23 -8.697 -2.478 -1.309 1.00 0.00 C ATOM 304 CD1 LEU A 23 -9.289 -3.356 -0.218 1.00 0.00 C ATOM 305 CD2 LEU A 23 -8.816 -3.157 -2.666 1.00 0.00 C ATOM 0 H LEU A 23 -7.055 -0.294 -1.305 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.999 -0.521 -3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -9.294 -0.667 -0.341 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -10.448 -1.267 -1.515 1.00 0.00 H new ATOM 0 HG LEU A 23 -7.640 -2.327 -1.092 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.787 -4.324 -0.217 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.152 -2.875 0.751 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -10.353 -3.500 -0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -8.321 -4.127 -2.632 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -9.869 -3.295 -2.913 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -8.344 -2.535 -3.427 1.00 0.00 H new ATOM 317 N TYR A 24 -9.171 2.091 -1.397 1.00 0.00 N ATOM 318 CA TYR A 24 -9.824 3.380 -1.206 1.00 0.00 C ATOM 319 C TYR A 24 -8.794 4.495 -1.049 1.00 0.00 C ATOM 320 O TYR A 24 -7.597 4.235 -0.923 1.00 0.00 O ATOM 321 CB TYR A 24 -10.736 3.338 0.021 1.00 0.00 C ATOM 322 CG TYR A 24 -11.583 2.088 0.103 1.00 0.00 C ATOM 323 CD1 TYR A 24 -12.746 1.964 -0.648 1.00 0.00 C ATOM 324 CD2 TYR A 24 -11.223 1.032 0.930 1.00 0.00 C ATOM 325 CE1 TYR A 24 -13.525 0.825 -0.577 1.00 0.00 C ATOM 326 CE2 TYR A 24 -11.994 -0.111 1.007 1.00 0.00 C ATOM 327 CZ TYR A 24 -13.144 -0.210 0.252 1.00 0.00 C ATOM 328 OH TYR A 24 -13.916 -1.347 0.326 1.00 0.00 O ATOM 0 H TYR A 24 -8.344 1.947 -0.818 1.00 0.00 H new ATOM 0 HA TYR A 24 -10.426 3.587 -2.091 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -10.125 3.412 0.920 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -11.390 4.210 0.007 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.046 2.772 -1.299 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -10.324 1.106 1.524 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.426 0.745 -1.167 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -11.698 -0.923 1.655 1.00 0.00 H new ATOM 0 HH TYR A 24 -13.508 -1.979 0.954 1.00 0.00 H new ATOM 338 N SER A 25 -9.268 5.736 -1.059 1.00 0.00 N ATOM 339 CA SER A 25 -8.389 6.891 -0.921 1.00 0.00 C ATOM 340 C SER A 25 -7.916 7.045 0.522 1.00 0.00 C ATOM 341 O SER A 25 -8.450 6.413 1.433 1.00 0.00 O ATOM 342 CB SER A 25 -9.110 8.164 -1.372 1.00 0.00 C ATOM 343 OG SER A 25 -9.981 8.642 -0.361 1.00 0.00 O ATOM 0 H SER A 25 -10.256 5.968 -1.161 1.00 0.00 H new ATOM 0 HA SER A 25 -7.517 6.731 -1.556 1.00 0.00 H new ATOM 0 HB2 SER A 25 -8.378 8.933 -1.619 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.678 7.962 -2.280 1.00 0.00 H new ATOM 0 HG SER A 25 -10.428 9.456 -0.673 1.00 0.00 H new ATOM 349 N PHE A 26 -6.910 7.890 0.720 1.00 0.00 N ATOM 350 CA PHE A 26 -6.363 8.127 2.051 1.00 0.00 C ATOM 351 C PHE A 26 -5.555 9.422 2.084 1.00 0.00 C ATOM 352 O PHE A 26 -5.016 9.855 1.066 1.00 0.00 O ATOM 353 CB PHE A 26 -5.482 6.952 2.481 1.00 0.00 C ATOM 354 CG PHE A 26 -4.755 7.189 3.773 1.00 0.00 C ATOM 355 CD1 PHE A 26 -3.501 7.780 3.780 1.00 0.00 C ATOM 356 CD2 PHE A 26 -5.325 6.822 4.982 1.00 0.00 C ATOM 357 CE1 PHE A 26 -2.830 7.998 4.968 1.00 0.00 C ATOM 358 CE2 PHE A 26 -4.658 7.038 6.173 1.00 0.00 C ATOM 359 CZ PHE A 26 -3.409 7.628 6.166 1.00 0.00 C ATOM 0 H PHE A 26 -6.457 8.422 -0.023 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.196 8.221 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -6.102 6.061 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -4.754 6.748 1.696 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.044 8.073 2.847 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.302 6.362 4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -1.853 8.458 4.960 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -5.113 6.746 7.108 1.00 0.00 H new ATOM 0 HZ PHE A 26 -2.886 7.800 7.095 1.00 0.00 H new ATOM 369 N GLU A 27 -5.477 10.033 3.262 1.00 0.00 N ATOM 370 CA GLU A 27 -4.736 11.279 3.427 1.00 0.00 C ATOM 371 C GLU A 27 -3.980 11.290 4.752 1.00 0.00 C ATOM 372 O GLU A 27 -4.577 11.418 5.820 1.00 0.00 O ATOM 373 CB GLU A 27 -5.687 12.476 3.360 1.00 0.00 C ATOM 374 CG GLU A 27 -6.092 12.852 1.945 1.00 0.00 C ATOM 375 CD GLU A 27 -6.624 14.269 1.847 1.00 0.00 C ATOM 376 OE1 GLU A 27 -7.778 14.500 2.263 1.00 0.00 O ATOM 377 OE2 GLU A 27 -5.884 15.147 1.356 1.00 0.00 O ATOM 0 H GLU A 27 -5.917 9.687 4.115 1.00 0.00 H new ATOM 0 HA GLU A 27 -4.013 11.353 2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -6.583 12.250 3.938 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -5.211 13.335 3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -5.232 12.744 1.284 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -6.854 12.157 1.592 1.00 0.00 H new ATOM 384 N GLY A 28 -2.659 11.154 4.675 1.00 0.00 N ATOM 385 CA GLY A 28 -1.842 11.150 5.874 1.00 0.00 C ATOM 386 C GLY A 28 -2.135 12.330 6.779 1.00 0.00 C ATOM 387 O GLY A 28 -1.697 13.448 6.512 1.00 0.00 O ATOM 0 H GLY A 28 -2.141 11.047 3.803 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -2.012 10.224 6.423 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.789 11.165 5.593 1.00 0.00 H new ATOM 439 N GLY A 32 4.018 12.328 8.986 1.00 0.00 N ATOM 440 CA GLY A 32 4.796 11.121 8.776 1.00 0.00 C ATOM 441 C GLY A 32 3.986 10.012 8.137 1.00 0.00 C ATOM 442 O GLY A 32 4.305 8.833 8.291 1.00 0.00 O ATOM 0 HA2 GLY A 32 5.653 11.351 8.144 1.00 0.00 H new ATOM 0 HA3 GLY A 32 5.189 10.775 9.732 1.00 0.00 H new ATOM 446 N ASP A 33 2.934 10.388 7.419 1.00 0.00 N ATOM 447 CA ASP A 33 2.074 9.416 6.754 1.00 0.00 C ATOM 448 C ASP A 33 2.268 9.463 5.241 1.00 0.00 C ATOM 449 O ASP A 33 3.127 10.188 4.737 1.00 0.00 O ATOM 450 CB ASP A 33 0.608 9.678 7.101 1.00 0.00 C ATOM 451 CG ASP A 33 0.226 9.124 8.460 1.00 0.00 C ATOM 452 OD1 ASP A 33 0.758 9.623 9.474 1.00 0.00 O ATOM 453 OD2 ASP A 33 -0.603 8.192 8.509 1.00 0.00 O ATOM 0 H ASP A 33 2.656 11.360 7.282 1.00 0.00 H new ATOM 0 HA ASP A 33 2.351 8.422 7.107 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.420 10.752 7.084 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -0.028 9.231 6.338 1.00 0.00 H new ATOM 458 N LEU A 34 1.465 8.686 4.523 1.00 0.00 N ATOM 459 CA LEU A 34 1.549 8.639 3.067 1.00 0.00 C ATOM 460 C LEU A 34 0.230 9.067 2.431 1.00 0.00 C ATOM 461 O LEU A 34 -0.831 8.950 3.043 1.00 0.00 O ATOM 462 CB LEU A 34 1.918 7.228 2.604 1.00 0.00 C ATOM 463 CG LEU A 34 1.958 7.008 1.091 1.00 0.00 C ATOM 464 CD1 LEU A 34 3.141 7.741 0.477 1.00 0.00 C ATOM 465 CD2 LEU A 34 2.025 5.522 0.770 1.00 0.00 C ATOM 0 H LEU A 34 0.749 8.080 4.924 1.00 0.00 H new ATOM 0 HA LEU A 34 2.326 9.334 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 34 2.896 6.977 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 34 1.203 6.527 3.034 1.00 0.00 H new ATOM 0 HG LEU A 34 1.042 7.412 0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 34 3.154 7.573 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 34 3.051 8.809 0.677 1.00 0.00 H new ATOM 0 HD13 LEU A 34 4.067 7.367 0.913 1.00 0.00 H new ATOM 0 HD21 LEU A 34 2.053 5.384 -0.311 1.00 0.00 H new ATOM 0 HD22 LEU A 34 2.924 5.094 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 34 1.146 5.022 1.177 1.00 0.00 H new ATOM 477 N ASN A 35 0.305 9.561 1.200 1.00 0.00 N ATOM 478 CA ASN A 35 -0.883 10.004 0.480 1.00 0.00 C ATOM 479 C ASN A 35 -1.085 9.188 -0.793 1.00 0.00 C ATOM 480 O ASN A 35 -0.246 9.207 -1.694 1.00 0.00 O ATOM 481 CB ASN A 35 -0.770 11.490 0.134 1.00 0.00 C ATOM 482 CG ASN A 35 -0.404 12.338 1.337 1.00 0.00 C ATOM 483 OD1 ASN A 35 0.699 12.878 1.418 1.00 0.00 O ATOM 484 ND2 ASN A 35 -1.332 12.459 2.280 1.00 0.00 N ATOM 0 H ASN A 35 1.176 9.665 0.680 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.747 9.853 1.127 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -0.017 11.623 -0.643 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -1.718 11.838 -0.277 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.143 13.017 3.113 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.233 11.994 2.171 1.00 0.00 H new ATOM 491 N PHE A 36 -2.203 8.473 -0.860 1.00 0.00 N ATOM 492 CA PHE A 36 -2.515 7.649 -2.022 1.00 0.00 C ATOM 493 C PHE A 36 -3.997 7.743 -2.372 1.00 0.00 C ATOM 494 O PHE A 36 -4.773 8.385 -1.665 1.00 0.00 O ATOM 495 CB PHE A 36 -2.133 6.191 -1.758 1.00 0.00 C ATOM 496 CG PHE A 36 -2.842 5.590 -0.578 1.00 0.00 C ATOM 497 CD1 PHE A 36 -4.100 5.028 -0.722 1.00 0.00 C ATOM 498 CD2 PHE A 36 -2.250 5.587 0.675 1.00 0.00 C ATOM 499 CE1 PHE A 36 -4.755 4.473 0.361 1.00 0.00 C ATOM 500 CE2 PHE A 36 -2.900 5.033 1.761 1.00 0.00 C ATOM 501 CZ PHE A 36 -4.155 4.477 1.605 1.00 0.00 C ATOM 0 H PHE A 36 -2.908 8.448 -0.123 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.935 8.021 -2.867 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.356 5.599 -2.646 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.057 6.129 -1.595 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.575 5.024 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.270 6.022 0.804 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.735 4.037 0.235 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.427 5.035 2.732 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.666 4.047 2.454 1.00 0.00 H new ATOM 511 N GLN A 37 -4.382 7.098 -3.469 1.00 0.00 N ATOM 512 CA GLN A 37 -5.770 7.109 -3.914 1.00 0.00 C ATOM 513 C GLN A 37 -6.229 5.708 -4.302 1.00 0.00 C ATOM 514 O GLN A 37 -5.411 4.825 -4.558 1.00 0.00 O ATOM 515 CB GLN A 37 -5.940 8.061 -5.100 1.00 0.00 C ATOM 516 CG GLN A 37 -5.727 9.523 -4.742 1.00 0.00 C ATOM 517 CD GLN A 37 -5.749 10.430 -5.957 1.00 0.00 C ATOM 518 OE1 GLN A 37 -6.814 10.845 -6.416 1.00 0.00 O ATOM 519 NE2 GLN A 37 -4.572 10.742 -6.484 1.00 0.00 N ATOM 0 H GLN A 37 -3.752 6.562 -4.065 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.387 7.457 -3.086 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -5.236 7.781 -5.884 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -6.941 7.939 -5.513 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -6.502 9.839 -4.043 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -4.772 9.632 -4.229 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.715 10.375 -6.071 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.524 11.349 -7.303 1.00 0.00 H new ATOM 528 N ALA A 38 -7.543 5.511 -4.342 1.00 0.00 N ATOM 529 CA ALA A 38 -8.111 4.217 -4.700 1.00 0.00 C ATOM 530 C ALA A 38 -7.593 3.746 -6.055 1.00 0.00 C ATOM 531 O ALA A 38 -8.030 4.228 -7.099 1.00 0.00 O ATOM 532 CB ALA A 38 -9.630 4.292 -4.711 1.00 0.00 C ATOM 0 H ALA A 38 -8.234 6.231 -4.131 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.800 3.491 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.040 3.319 -4.980 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -9.987 4.576 -3.721 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.952 5.036 -5.440 1.00 0.00 H new ATOM 538 N GLY A 39 -6.658 2.801 -6.030 1.00 0.00 N ATOM 539 CA GLY A 39 -6.096 2.282 -7.263 1.00 0.00 C ATOM 540 C GLY A 39 -4.590 2.445 -7.328 1.00 0.00 C ATOM 541 O GLY A 39 -3.894 1.619 -7.918 1.00 0.00 O ATOM 0 H GLY A 39 -6.280 2.386 -5.178 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.348 1.226 -7.357 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -6.551 2.795 -8.110 1.00 0.00 H new ATOM 545 N ASP A 40 -4.087 3.515 -6.722 1.00 0.00 N ATOM 546 CA ASP A 40 -2.653 3.785 -6.713 1.00 0.00 C ATOM 547 C ASP A 40 -1.889 2.644 -6.049 1.00 0.00 C ATOM 548 O ASP A 40 -2.233 2.211 -4.948 1.00 0.00 O ATOM 549 CB ASP A 40 -2.365 5.099 -5.987 1.00 0.00 C ATOM 550 CG ASP A 40 -2.383 6.293 -6.922 1.00 0.00 C ATOM 551 OD1 ASP A 40 -1.992 6.133 -8.097 1.00 0.00 O ATOM 552 OD2 ASP A 40 -2.789 7.387 -6.478 1.00 0.00 O ATOM 0 H ASP A 40 -4.650 4.209 -6.231 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.318 3.869 -7.747 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.105 5.246 -5.200 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.391 5.036 -5.501 1.00 0.00 H new ATOM 557 N ARG A 41 -0.852 2.160 -6.724 1.00 0.00 N ATOM 558 CA ARG A 41 -0.041 1.068 -6.200 1.00 0.00 C ATOM 559 C ARG A 41 0.973 1.584 -5.183 1.00 0.00 C ATOM 560 O ARG A 41 1.690 2.550 -5.443 1.00 0.00 O ATOM 561 CB ARG A 41 0.684 0.350 -7.341 1.00 0.00 C ATOM 562 CG ARG A 41 -0.211 -0.582 -8.140 1.00 0.00 C ATOM 563 CD ARG A 41 -1.311 0.183 -8.859 1.00 0.00 C ATOM 564 NE ARG A 41 -1.721 -0.480 -10.095 1.00 0.00 N ATOM 565 CZ ARG A 41 -0.908 -0.675 -11.128 1.00 0.00 C ATOM 566 NH1 ARG A 41 0.350 -0.261 -11.074 1.00 0.00 N ATOM 567 NH2 ARG A 41 -1.355 -1.286 -12.218 1.00 0.00 N ATOM 0 H ARG A 41 -0.553 2.507 -7.635 1.00 0.00 H new ATOM 0 HA ARG A 41 -0.705 0.363 -5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 41 1.112 1.094 -8.013 1.00 0.00 H new ATOM 0 HB3 ARG A 41 1.515 -0.223 -6.929 1.00 0.00 H new ATOM 0 HG2 ARG A 41 0.389 -1.129 -8.868 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -0.656 -1.321 -7.474 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -2.173 0.285 -8.199 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -0.963 1.191 -9.086 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.683 -0.811 -10.169 1.00 0.00 H new ATOM 0 HH11 ARG A 41 0.697 0.209 -10.238 1.00 0.00 H new ATOM 0 HH12 ARG A 41 0.971 -0.412 -11.869 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -2.323 -1.606 -12.263 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -0.731 -1.436 -13.011 1.00 0.00 H new ATOM 581 N ILE A 42 1.026 0.932 -4.026 1.00 0.00 N ATOM 582 CA ILE A 42 1.952 1.325 -2.971 1.00 0.00 C ATOM 583 C ILE A 42 3.008 0.249 -2.738 1.00 0.00 C ATOM 584 O ILE A 42 2.683 -0.906 -2.460 1.00 0.00 O ATOM 585 CB ILE A 42 1.214 1.599 -1.648 1.00 0.00 C ATOM 586 CG1 ILE A 42 0.159 2.690 -1.844 1.00 0.00 C ATOM 587 CG2 ILE A 42 2.203 1.999 -0.563 1.00 0.00 C ATOM 588 CD1 ILE A 42 -1.018 2.568 -0.903 1.00 0.00 C ATOM 0 H ILE A 42 0.439 0.130 -3.796 1.00 0.00 H new ATOM 0 HA ILE A 42 2.438 2.242 -3.303 1.00 0.00 H new ATOM 0 HB ILE A 42 0.710 0.685 -1.334 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.626 3.665 -1.704 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.203 2.654 -2.872 1.00 0.00 H new ATOM 0 HG21 ILE A 42 1.666 2.189 0.366 1.00 0.00 H new ATOM 0 HG22 ILE A 42 2.920 1.193 -0.409 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.732 2.902 -0.868 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.725 3.374 -1.099 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.510 1.608 -1.058 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.669 2.634 0.127 1.00 0.00 H new ATOM 600 N THR A 43 4.275 0.636 -2.851 1.00 0.00 N ATOM 601 CA THR A 43 5.378 -0.294 -2.653 1.00 0.00 C ATOM 602 C THR A 43 5.567 -0.616 -1.174 1.00 0.00 C ATOM 603 O THR A 43 6.121 0.185 -0.420 1.00 0.00 O ATOM 604 CB THR A 43 6.697 0.269 -3.216 1.00 0.00 C ATOM 605 OG1 THR A 43 6.526 0.633 -4.590 1.00 0.00 O ATOM 606 CG2 THR A 43 7.819 -0.750 -3.091 1.00 0.00 C ATOM 0 H THR A 43 4.562 1.588 -3.079 1.00 0.00 H new ATOM 0 HA THR A 43 5.122 -1.206 -3.192 1.00 0.00 H new ATOM 0 HB THR A 43 6.966 1.152 -2.637 1.00 0.00 H new ATOM 0 HG1 THR A 43 7.368 0.992 -4.941 1.00 0.00 H new ATOM 0 HG21 THR A 43 8.740 -0.329 -3.495 1.00 0.00 H new ATOM 0 HG22 THR A 43 7.966 -1.002 -2.041 1.00 0.00 H new ATOM 0 HG23 THR A 43 7.557 -1.650 -3.647 1.00 0.00 H new ATOM 614 N VAL A 44 5.104 -1.793 -0.766 1.00 0.00 N ATOM 615 CA VAL A 44 5.224 -2.221 0.623 1.00 0.00 C ATOM 616 C VAL A 44 6.674 -2.523 0.982 1.00 0.00 C ATOM 617 O VAL A 44 7.249 -3.505 0.511 1.00 0.00 O ATOM 618 CB VAL A 44 4.367 -3.470 0.901 1.00 0.00 C ATOM 619 CG1 VAL A 44 4.561 -3.943 2.334 1.00 0.00 C ATOM 620 CG2 VAL A 44 2.900 -3.183 0.619 1.00 0.00 C ATOM 0 H VAL A 44 4.643 -2.467 -1.377 1.00 0.00 H new ATOM 0 HA VAL A 44 4.864 -1.398 1.240 1.00 0.00 H new ATOM 0 HB VAL A 44 4.692 -4.268 0.234 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.948 -4.826 2.512 1.00 0.00 H new ATOM 0 HG12 VAL A 44 5.610 -4.191 2.496 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.265 -3.151 3.022 1.00 0.00 H new ATOM 0 HG21 VAL A 44 2.309 -4.076 0.821 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.559 -2.370 1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.780 -2.897 -0.426 1.00 0.00 H new ATOM 630 N ILE A 45 7.260 -1.673 1.819 1.00 0.00 N ATOM 631 CA ILE A 45 8.644 -1.850 2.242 1.00 0.00 C ATOM 632 C ILE A 45 8.719 -2.535 3.602 1.00 0.00 C ATOM 633 O ILE A 45 9.583 -3.380 3.836 1.00 0.00 O ATOM 634 CB ILE A 45 9.386 -0.503 2.317 1.00 0.00 C ATOM 635 CG1 ILE A 45 8.455 0.589 2.847 1.00 0.00 C ATOM 636 CG2 ILE A 45 9.932 -0.122 0.949 1.00 0.00 C ATOM 637 CD1 ILE A 45 9.155 1.903 3.114 1.00 0.00 C ATOM 0 H ILE A 45 6.798 -0.855 2.217 1.00 0.00 H new ATOM 0 HA ILE A 45 9.125 -2.479 1.493 1.00 0.00 H new ATOM 0 HB ILE A 45 10.224 -0.605 3.006 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.654 0.753 2.126 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.988 0.241 3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 45 10.454 0.832 1.018 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.625 -0.890 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 45 9.109 -0.035 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.434 2.630 3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.938 1.754 3.857 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.598 2.274 2.190 1.00 0.00 H new ATOM 649 N SER A 46 7.807 -2.166 4.496 1.00 0.00 N ATOM 650 CA SER A 46 7.770 -2.744 5.834 1.00 0.00 C ATOM 651 C SER A 46 6.340 -3.091 6.238 1.00 0.00 C ATOM 652 O SER A 46 5.486 -2.212 6.359 1.00 0.00 O ATOM 653 CB SER A 46 8.377 -1.772 6.849 1.00 0.00 C ATOM 654 OG SER A 46 8.951 -2.468 7.941 1.00 0.00 O ATOM 0 H SER A 46 7.084 -1.469 4.318 1.00 0.00 H new ATOM 0 HA SER A 46 8.358 -3.662 5.822 1.00 0.00 H new ATOM 0 HB2 SER A 46 9.138 -1.161 6.363 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.606 -1.092 7.212 1.00 0.00 H new ATOM 0 HG SER A 46 9.333 -1.825 8.574 1.00 0.00 H new ATOM 660 N LYS A 47 6.086 -4.379 6.444 1.00 0.00 N ATOM 661 CA LYS A 47 4.761 -4.845 6.835 1.00 0.00 C ATOM 662 C LYS A 47 4.859 -6.092 7.707 1.00 0.00 C ATOM 663 O LYS A 47 5.953 -6.530 8.063 1.00 0.00 O ATOM 664 CB LYS A 47 3.916 -5.141 5.594 1.00 0.00 C ATOM 665 CG LYS A 47 4.409 -6.334 4.793 1.00 0.00 C ATOM 666 CD LYS A 47 3.267 -7.037 4.080 1.00 0.00 C ATOM 667 CE LYS A 47 2.491 -7.941 5.026 1.00 0.00 C ATOM 668 NZ LYS A 47 1.491 -8.774 4.303 1.00 0.00 N ATOM 0 H LYS A 47 6.781 -5.119 6.347 1.00 0.00 H new ATOM 0 HA LYS A 47 4.281 -4.056 7.414 1.00 0.00 H new ATOM 0 HB2 LYS A 47 2.886 -5.321 5.901 1.00 0.00 H new ATOM 0 HB3 LYS A 47 3.908 -4.261 4.951 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.147 -6.003 4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.912 -7.037 5.457 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.594 -6.295 3.650 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.662 -7.627 3.253 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.186 -8.590 5.560 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.983 -7.333 5.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.419 -9.705 4.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.564 -8.303 4.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.791 -8.896 3.315 1.00 0.00 H new ATOM 682 N THR A 48 3.707 -6.663 8.046 1.00 0.00 N ATOM 683 CA THR A 48 3.663 -7.860 8.876 1.00 0.00 C ATOM 684 C THR A 48 2.445 -8.714 8.544 1.00 0.00 C ATOM 685 O THR A 48 1.434 -8.208 8.056 1.00 0.00 O ATOM 686 CB THR A 48 3.634 -7.505 10.374 1.00 0.00 C ATOM 687 OG1 THR A 48 2.923 -8.512 11.103 1.00 0.00 O ATOM 688 CG2 THR A 48 2.976 -6.151 10.597 1.00 0.00 C ATOM 0 H THR A 48 2.792 -6.315 7.758 1.00 0.00 H new ATOM 0 HA THR A 48 4.570 -8.426 8.662 1.00 0.00 H new ATOM 0 HB THR A 48 4.662 -7.455 10.733 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.101 -8.128 11.474 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.967 -5.922 11.663 1.00 0.00 H new ATOM 0 HG22 THR A 48 3.536 -5.382 10.065 1.00 0.00 H new ATOM 0 HG23 THR A 48 1.952 -6.178 10.223 1.00 0.00 H new ATOM 696 N ASP A 49 2.546 -10.012 8.812 1.00 0.00 N ATOM 697 CA ASP A 49 1.451 -10.936 8.544 1.00 0.00 C ATOM 698 C ASP A 49 0.112 -10.320 8.935 1.00 0.00 C ATOM 699 O ASP A 49 -0.887 -10.485 8.234 1.00 0.00 O ATOM 700 CB ASP A 49 1.665 -12.247 9.302 1.00 0.00 C ATOM 701 CG ASP A 49 2.273 -12.030 10.674 1.00 0.00 C ATOM 702 OD1 ASP A 49 3.500 -11.814 10.751 1.00 0.00 O ATOM 703 OD2 ASP A 49 1.521 -12.077 11.671 1.00 0.00 O ATOM 0 H ASP A 49 3.376 -10.447 9.215 1.00 0.00 H new ATOM 0 HA ASP A 49 1.436 -11.143 7.474 1.00 0.00 H new ATOM 0 HB2 ASP A 49 0.710 -12.762 9.408 1.00 0.00 H new ATOM 0 HB3 ASP A 49 2.315 -12.899 8.719 1.00 0.00 H new ATOM 708 N SER A 50 0.098 -9.611 10.059 1.00 0.00 N ATOM 709 CA SER A 50 -1.120 -8.974 10.546 1.00 0.00 C ATOM 710 C SER A 50 -1.484 -7.768 9.686 1.00 0.00 C ATOM 711 O SER A 50 -0.713 -6.815 9.574 1.00 0.00 O ATOM 712 CB SER A 50 -0.947 -8.542 12.003 1.00 0.00 C ATOM 713 OG SER A 50 0.312 -7.924 12.206 1.00 0.00 O ATOM 0 H SER A 50 0.916 -9.463 10.650 1.00 0.00 H new ATOM 0 HA SER A 50 -1.930 -9.700 10.483 1.00 0.00 H new ATOM 0 HB2 SER A 50 -1.744 -7.850 12.277 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.039 -9.410 12.656 1.00 0.00 H new ATOM 0 HG SER A 50 0.199 -7.128 12.767 1.00 0.00 H new ATOM 719 N HIS A 51 -2.666 -7.817 9.079 1.00 0.00 N ATOM 720 CA HIS A 51 -3.134 -6.728 8.228 1.00 0.00 C ATOM 721 C HIS A 51 -3.693 -5.584 9.068 1.00 0.00 C ATOM 722 O HIS A 51 -3.466 -4.412 8.768 1.00 0.00 O ATOM 723 CB HIS A 51 -4.204 -7.234 7.259 1.00 0.00 C ATOM 724 CG HIS A 51 -5.185 -8.175 7.888 1.00 0.00 C ATOM 725 ND1 HIS A 51 -4.990 -9.539 7.944 1.00 0.00 N ATOM 726 CD2 HIS A 51 -6.374 -7.941 8.491 1.00 0.00 C ATOM 727 CE1 HIS A 51 -6.017 -10.103 8.553 1.00 0.00 C ATOM 728 NE2 HIS A 51 -6.871 -9.155 8.896 1.00 0.00 N ATOM 0 H HIS A 51 -3.317 -8.598 9.160 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.284 -6.355 7.657 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -4.744 -6.380 6.849 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.717 -7.735 6.423 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -6.844 -6.978 8.628 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -6.138 -11.160 8.739 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -7.756 -9.301 9.382 1.00 0.00 H new ATOM 737 N PHE A 52 -4.424 -5.932 10.122 1.00 0.00 N ATOM 738 CA PHE A 52 -5.016 -4.933 11.005 1.00 0.00 C ATOM 739 C PHE A 52 -4.012 -3.831 11.330 1.00 0.00 C ATOM 740 O PHE A 52 -4.346 -2.646 11.308 1.00 0.00 O ATOM 741 CB PHE A 52 -5.505 -5.591 12.297 1.00 0.00 C ATOM 742 CG PHE A 52 -6.213 -4.642 13.222 1.00 0.00 C ATOM 743 CD1 PHE A 52 -7.393 -4.026 12.834 1.00 0.00 C ATOM 744 CD2 PHE A 52 -5.699 -4.364 14.478 1.00 0.00 C ATOM 745 CE1 PHE A 52 -8.047 -3.153 13.682 1.00 0.00 C ATOM 746 CE2 PHE A 52 -6.349 -3.492 15.331 1.00 0.00 C ATOM 747 CZ PHE A 52 -7.524 -2.885 14.932 1.00 0.00 C ATOM 0 H PHE A 52 -4.621 -6.898 10.386 1.00 0.00 H new ATOM 0 HA PHE A 52 -5.865 -4.485 10.489 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.178 -6.411 12.046 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -4.653 -6.027 12.819 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -7.806 -4.231 11.857 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.780 -4.834 14.794 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -8.966 -2.681 13.368 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -5.939 -3.285 16.308 1.00 0.00 H new ATOM 0 HZ PHE A 52 -8.033 -2.202 15.596 1.00 0.00 H new ATOM 757 N ASP A 53 -2.782 -4.230 11.633 1.00 0.00 N ATOM 758 CA ASP A 53 -1.728 -3.277 11.962 1.00 0.00 C ATOM 759 C ASP A 53 -1.457 -2.340 10.790 1.00 0.00 C ATOM 760 O ASP A 53 -1.985 -2.532 9.694 1.00 0.00 O ATOM 761 CB ASP A 53 -0.446 -4.015 12.349 1.00 0.00 C ATOM 762 CG ASP A 53 -0.438 -4.437 13.805 1.00 0.00 C ATOM 763 OD1 ASP A 53 -0.906 -5.557 14.102 1.00 0.00 O ATOM 764 OD2 ASP A 53 0.038 -3.649 14.648 1.00 0.00 O ATOM 0 H ASP A 53 -2.490 -5.207 11.658 1.00 0.00 H new ATOM 0 HA ASP A 53 -2.064 -2.680 12.810 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.333 -4.896 11.718 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.413 -3.372 12.155 1.00 0.00 H new ATOM 769 N TRP A 54 -0.631 -1.328 11.027 1.00 0.00 N ATOM 770 CA TRP A 54 -0.290 -0.360 9.990 1.00 0.00 C ATOM 771 C TRP A 54 1.022 -0.732 9.309 1.00 0.00 C ATOM 772 O TRP A 54 1.993 -1.099 9.971 1.00 0.00 O ATOM 773 CB TRP A 54 -0.190 1.044 10.588 1.00 0.00 C ATOM 774 CG TRP A 54 -1.523 1.683 10.833 1.00 0.00 C ATOM 775 CD1 TRP A 54 -2.605 1.113 11.443 1.00 0.00 C ATOM 776 CD2 TRP A 54 -1.917 3.011 10.472 1.00 0.00 C ATOM 777 NE1 TRP A 54 -3.647 2.008 11.483 1.00 0.00 N ATOM 778 CE2 TRP A 54 -3.250 3.180 10.894 1.00 0.00 C ATOM 779 CE3 TRP A 54 -1.273 4.075 9.835 1.00 0.00 C ATOM 780 CZ2 TRP A 54 -3.948 4.368 10.698 1.00 0.00 C ATOM 781 CZ3 TRP A 54 -1.967 5.254 9.640 1.00 0.00 C ATOM 782 CH2 TRP A 54 -3.293 5.393 10.071 1.00 0.00 C ATOM 0 H TRP A 54 -0.185 -1.156 11.928 1.00 0.00 H new ATOM 0 HA TRP A 54 -1.082 -0.372 9.241 1.00 0.00 H new ATOM 0 HB2 TRP A 54 0.358 0.992 11.529 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.390 1.677 9.916 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -2.636 0.107 11.836 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.567 1.829 11.886 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -0.251 3.978 9.501 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -4.970 4.477 11.029 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -1.479 6.082 9.147 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -3.808 6.328 9.905 1.00 0.00 H new ATOM 793 N TRP A 55 1.045 -0.633 7.985 1.00 0.00 N ATOM 794 CA TRP A 55 2.240 -0.959 7.215 1.00 0.00 C ATOM 795 C TRP A 55 2.867 0.299 6.625 1.00 0.00 C ATOM 796 O TRP A 55 2.266 1.372 6.650 1.00 0.00 O ATOM 797 CB TRP A 55 1.898 -1.946 6.098 1.00 0.00 C ATOM 798 CG TRP A 55 1.390 -3.263 6.603 1.00 0.00 C ATOM 799 CD1 TRP A 55 1.464 -3.733 7.883 1.00 0.00 C ATOM 800 CD2 TRP A 55 0.731 -4.278 5.837 1.00 0.00 C ATOM 801 NE1 TRP A 55 0.891 -4.980 7.959 1.00 0.00 N ATOM 802 CE2 TRP A 55 0.433 -5.336 6.718 1.00 0.00 C ATOM 803 CE3 TRP A 55 0.363 -4.395 4.494 1.00 0.00 C ATOM 804 CZ2 TRP A 55 -0.214 -6.495 6.296 1.00 0.00 C ATOM 805 CZ3 TRP A 55 -0.279 -5.546 4.078 1.00 0.00 C ATOM 806 CH2 TRP A 55 -0.563 -6.583 4.976 1.00 0.00 C ATOM 0 H TRP A 55 0.250 -0.330 7.422 1.00 0.00 H new ATOM 0 HA TRP A 55 2.962 -1.420 7.889 1.00 0.00 H new ATOM 0 HB2 TRP A 55 1.146 -1.500 5.447 1.00 0.00 H new ATOM 0 HB3 TRP A 55 2.786 -2.117 5.489 1.00 0.00 H new ATOM 0 HD1 TRP A 55 1.907 -3.203 8.713 1.00 0.00 H new ATOM 0 HE1 TRP A 55 0.819 -5.548 8.803 1.00 0.00 H new ATOM 0 HE3 TRP A 55 0.576 -3.601 3.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -0.433 -7.296 6.987 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -0.567 -5.648 3.042 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -1.067 -7.469 4.619 1.00 0.00 H new ATOM 817 N GLU A 56 4.079 0.158 6.095 1.00 0.00 N ATOM 818 CA GLU A 56 4.786 1.285 5.499 1.00 0.00 C ATOM 819 C GLU A 56 5.118 1.007 4.036 1.00 0.00 C ATOM 820 O GLU A 56 5.821 0.049 3.719 1.00 0.00 O ATOM 821 CB GLU A 56 6.070 1.579 6.278 1.00 0.00 C ATOM 822 CG GLU A 56 6.825 2.797 5.770 1.00 0.00 C ATOM 823 CD GLU A 56 8.131 3.022 6.507 1.00 0.00 C ATOM 824 OE1 GLU A 56 9.040 2.176 6.375 1.00 0.00 O ATOM 825 OE2 GLU A 56 8.244 4.045 7.214 1.00 0.00 O ATOM 0 H GLU A 56 4.590 -0.724 6.067 1.00 0.00 H new ATOM 0 HA GLU A 56 4.133 2.157 5.546 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.821 1.728 7.329 1.00 0.00 H new ATOM 0 HB3 GLU A 56 6.724 0.709 6.226 1.00 0.00 H new ATOM 0 HG2 GLU A 56 7.029 2.676 4.706 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.195 3.680 5.876 1.00 0.00 H new ATOM 832 N GLY A 57 4.605 1.854 3.148 1.00 0.00 N ATOM 833 CA GLY A 57 4.857 1.682 1.729 1.00 0.00 C ATOM 834 C GLY A 57 5.422 2.933 1.085 1.00 0.00 C ATOM 835 O GLY A 57 5.612 3.952 1.750 1.00 0.00 O ATOM 0 H GLY A 57 4.020 2.655 3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.554 0.856 1.584 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.928 1.407 1.229 1.00 0.00 H new ATOM 839 N LYS A 58 5.692 2.858 -0.214 1.00 0.00 N ATOM 840 CA LYS A 58 6.239 3.992 -0.949 1.00 0.00 C ATOM 841 C LYS A 58 5.426 4.265 -2.211 1.00 0.00 C ATOM 842 O LYS A 58 5.102 3.346 -2.964 1.00 0.00 O ATOM 843 CB LYS A 58 7.701 3.730 -1.318 1.00 0.00 C ATOM 844 CG LYS A 58 8.684 4.139 -0.235 1.00 0.00 C ATOM 845 CD LYS A 58 9.953 3.305 -0.289 1.00 0.00 C ATOM 846 CE LYS A 58 10.981 3.913 -1.231 1.00 0.00 C ATOM 847 NZ LYS A 58 11.865 4.886 -0.533 1.00 0.00 N ATOM 0 H LYS A 58 5.541 2.023 -0.780 1.00 0.00 H new ATOM 0 HA LYS A 58 6.185 4.870 -0.306 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.829 2.669 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.938 4.270 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 58 8.935 5.193 -0.350 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.216 4.028 0.743 1.00 0.00 H new ATOM 0 HD2 LYS A 58 10.378 3.223 0.711 1.00 0.00 H new ATOM 0 HD3 LYS A 58 9.711 2.294 -0.616 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.588 3.120 -1.668 1.00 0.00 H new ATOM 0 HE3 LYS A 58 10.469 4.412 -2.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.551 5.278 -1.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.289 5.657 -0.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.373 4.404 0.236 1.00 0.00 H new ATOM 861 N LEU A 59 5.101 5.533 -2.436 1.00 0.00 N ATOM 862 CA LEU A 59 4.328 5.928 -3.608 1.00 0.00 C ATOM 863 C LEU A 59 4.767 7.298 -4.115 1.00 0.00 C ATOM 864 O LEU A 59 5.086 8.189 -3.327 1.00 0.00 O ATOM 865 CB LEU A 59 2.835 5.949 -3.275 1.00 0.00 C ATOM 866 CG LEU A 59 1.937 6.698 -4.261 1.00 0.00 C ATOM 867 CD1 LEU A 59 1.587 5.809 -5.445 1.00 0.00 C ATOM 868 CD2 LEU A 59 0.675 7.187 -3.567 1.00 0.00 C ATOM 0 H LEU A 59 5.361 6.305 -1.822 1.00 0.00 H new ATOM 0 HA LEU A 59 4.509 5.196 -4.395 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.484 4.919 -3.205 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.710 6.396 -2.289 1.00 0.00 H new ATOM 0 HG LEU A 59 2.482 7.566 -4.633 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.948 6.358 -6.136 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.501 5.509 -5.957 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.061 4.922 -5.091 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.048 7.718 -4.284 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.127 6.335 -3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.945 7.860 -2.753 1.00 0.00 H new ATOM 880 N ARG A 60 4.779 7.459 -5.434 1.00 0.00 N ATOM 881 CA ARG A 60 5.178 8.721 -6.045 1.00 0.00 C ATOM 882 C ARG A 60 6.476 9.237 -5.431 1.00 0.00 C ATOM 883 O ARG A 60 6.619 10.430 -5.167 1.00 0.00 O ATOM 884 CB ARG A 60 4.072 9.766 -5.878 1.00 0.00 C ATOM 885 CG ARG A 60 3.024 9.724 -6.978 1.00 0.00 C ATOM 886 CD ARG A 60 1.666 10.185 -6.471 1.00 0.00 C ATOM 887 NE ARG A 60 0.735 10.450 -7.564 1.00 0.00 N ATOM 888 CZ ARG A 60 -0.557 10.701 -7.385 1.00 0.00 C ATOM 889 NH1 ARG A 60 -1.068 10.720 -6.162 1.00 0.00 N ATOM 890 NH2 ARG A 60 -1.341 10.933 -8.430 1.00 0.00 N ATOM 0 H ARG A 60 4.517 6.732 -6.100 1.00 0.00 H new ATOM 0 HA ARG A 60 5.344 8.544 -7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 60 3.583 9.615 -4.916 1.00 0.00 H new ATOM 0 HB3 ARG A 60 4.522 10.758 -5.854 1.00 0.00 H new ATOM 0 HG2 ARG A 60 3.339 10.358 -7.807 1.00 0.00 H new ATOM 0 HG3 ARG A 60 2.943 8.709 -7.367 1.00 0.00 H new ATOM 0 HD2 ARG A 60 1.246 9.423 -5.814 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.790 11.088 -5.873 1.00 0.00 H new ATOM 0 HE ARG A 60 1.097 10.442 -8.518 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -0.469 10.542 -5.356 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.060 10.913 -6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.952 10.919 -9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.333 11.126 -8.291 1.00 0.00 H new ATOM 904 N GLY A 61 7.420 8.328 -5.205 1.00 0.00 N ATOM 905 CA GLY A 61 8.693 8.709 -4.623 1.00 0.00 C ATOM 906 C GLY A 61 8.546 9.268 -3.222 1.00 0.00 C ATOM 907 O GLY A 61 9.231 10.221 -2.853 1.00 0.00 O ATOM 0 H GLY A 61 7.325 7.334 -5.415 1.00 0.00 H new ATOM 0 HA2 GLY A 61 9.351 7.841 -4.597 1.00 0.00 H new ATOM 0 HA3 GLY A 61 9.172 9.453 -5.259 1.00 0.00 H new ATOM 911 N GLN A 62 7.650 8.673 -2.441 1.00 0.00 N ATOM 912 CA GLN A 62 7.414 9.120 -1.073 1.00 0.00 C ATOM 913 C GLN A 62 7.339 7.933 -0.119 1.00 0.00 C ATOM 914 O GLN A 62 7.244 6.782 -0.547 1.00 0.00 O ATOM 915 CB GLN A 62 6.121 9.934 -0.996 1.00 0.00 C ATOM 916 CG GLN A 62 6.203 11.275 -1.708 1.00 0.00 C ATOM 917 CD GLN A 62 5.002 12.157 -1.432 1.00 0.00 C ATOM 918 OE1 GLN A 62 3.946 11.997 -2.045 1.00 0.00 O ATOM 919 NE2 GLN A 62 5.156 13.094 -0.504 1.00 0.00 N ATOM 0 H GLN A 62 7.076 7.881 -2.732 1.00 0.00 H new ATOM 0 HA GLN A 62 8.251 9.751 -0.774 1.00 0.00 H new ATOM 0 HB2 GLN A 62 5.308 9.351 -1.429 1.00 0.00 H new ATOM 0 HB3 GLN A 62 5.869 10.103 0.051 1.00 0.00 H new ATOM 0 HG2 GLN A 62 7.109 11.793 -1.395 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.287 11.107 -2.782 1.00 0.00 H new ATOM 0 HE21 GLN A 62 6.049 13.191 -0.021 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.381 13.717 -0.274 1.00 0.00 H new ATOM 928 N THR A 63 7.382 8.219 1.179 1.00 0.00 N ATOM 929 CA THR A 63 7.320 7.175 2.194 1.00 0.00 C ATOM 930 C THR A 63 6.403 7.580 3.343 1.00 0.00 C ATOM 931 O THR A 63 6.422 8.725 3.791 1.00 0.00 O ATOM 932 CB THR A 63 8.718 6.855 2.757 1.00 0.00 C ATOM 933 OG1 THR A 63 9.696 6.941 1.715 1.00 0.00 O ATOM 934 CG2 THR A 63 8.748 5.465 3.374 1.00 0.00 C ATOM 0 H THR A 63 7.460 9.165 1.552 1.00 0.00 H new ATOM 0 HA THR A 63 6.919 6.285 1.708 1.00 0.00 H new ATOM 0 HB THR A 63 8.949 7.584 3.533 1.00 0.00 H new ATOM 0 HG1 THR A 63 10.582 6.738 2.081 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.745 5.262 3.765 1.00 0.00 H new ATOM 0 HG22 THR A 63 8.022 5.411 4.186 1.00 0.00 H new ATOM 0 HG23 THR A 63 8.498 4.724 2.614 1.00 0.00 H new ATOM 942 N GLY A 64 5.602 6.630 3.817 1.00 0.00 N ATOM 943 CA GLY A 64 4.689 6.908 4.911 1.00 0.00 C ATOM 944 C GLY A 64 3.976 5.663 5.400 1.00 0.00 C ATOM 945 O GLY A 64 4.081 4.599 4.790 1.00 0.00 O ATOM 0 H GLY A 64 5.569 5.674 3.463 1.00 0.00 H new ATOM 0 HA2 GLY A 64 5.242 7.355 5.737 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.951 7.642 4.587 1.00 0.00 H new ATOM 949 N ILE A 65 3.249 5.796 6.505 1.00 0.00 N ATOM 950 CA ILE A 65 2.517 4.672 7.076 1.00 0.00 C ATOM 951 C ILE A 65 1.041 4.727 6.694 1.00 0.00 C ATOM 952 O ILE A 65 0.505 5.794 6.397 1.00 0.00 O ATOM 953 CB ILE A 65 2.637 4.644 8.611 1.00 0.00 C ATOM 954 CG1 ILE A 65 2.124 5.956 9.209 1.00 0.00 C ATOM 955 CG2 ILE A 65 4.080 4.395 9.025 1.00 0.00 C ATOM 956 CD1 ILE A 65 1.539 5.800 10.595 1.00 0.00 C ATOM 0 H ILE A 65 3.151 6.670 7.022 1.00 0.00 H new ATOM 0 HA ILE A 65 2.963 3.765 6.668 1.00 0.00 H new ATOM 0 HB ILE A 65 2.024 3.828 8.994 1.00 0.00 H new ATOM 0 HG12 ILE A 65 2.944 6.673 9.248 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.365 6.375 8.548 1.00 0.00 H new ATOM 0 HG21 ILE A 65 4.149 4.378 10.113 1.00 0.00 H new ATOM 0 HG22 ILE A 65 4.413 3.437 8.625 1.00 0.00 H new ATOM 0 HG23 ILE A 65 4.713 5.191 8.634 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.196 6.769 10.956 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.698 5.108 10.559 1.00 0.00 H new ATOM 0 HD13 ILE A 65 2.301 5.410 11.270 1.00 0.00 H new ATOM 968 N PHE A 66 0.390 3.569 6.705 1.00 0.00 N ATOM 969 CA PHE A 66 -1.025 3.484 6.361 1.00 0.00 C ATOM 970 C PHE A 66 -1.598 2.123 6.746 1.00 0.00 C ATOM 971 O PHE A 66 -0.891 1.116 6.798 1.00 0.00 O ATOM 972 CB PHE A 66 -1.222 3.728 4.863 1.00 0.00 C ATOM 973 CG PHE A 66 -0.639 2.648 3.998 1.00 0.00 C ATOM 974 CD1 PHE A 66 0.681 2.713 3.581 1.00 0.00 C ATOM 975 CD2 PHE A 66 -1.410 1.567 3.602 1.00 0.00 C ATOM 976 CE1 PHE A 66 1.219 1.720 2.784 1.00 0.00 C ATOM 977 CE2 PHE A 66 -0.877 0.571 2.805 1.00 0.00 C ATOM 978 CZ PHE A 66 0.440 0.648 2.397 1.00 0.00 C ATOM 0 H PHE A 66 0.819 2.676 6.948 1.00 0.00 H new ATOM 0 HA PHE A 66 -1.557 4.253 6.921 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -2.288 3.814 4.654 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -0.767 4.682 4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 66 1.296 3.548 3.882 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -2.440 1.502 3.920 1.00 0.00 H new ATOM 0 HE1 PHE A 66 2.249 1.783 2.464 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.489 -0.265 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 66 0.860 -0.129 1.776 1.00 0.00 H new ATOM 988 N PRO A 67 -2.910 2.091 7.023 1.00 0.00 N ATOM 989 CA PRO A 67 -3.608 0.861 7.408 1.00 0.00 C ATOM 990 C PRO A 67 -3.729 -0.124 6.250 1.00 0.00 C ATOM 991 O PRO A 67 -4.296 0.197 5.207 1.00 0.00 O ATOM 992 CB PRO A 67 -4.991 1.357 7.835 1.00 0.00 C ATOM 993 CG PRO A 67 -5.180 2.637 7.096 1.00 0.00 C ATOM 994 CD PRO A 67 -3.813 3.253 6.981 1.00 0.00 C ATOM 0 HA PRO A 67 -3.075 0.317 8.188 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -5.767 0.635 7.580 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.041 1.511 8.913 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.612 2.459 6.111 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.863 3.299 7.629 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -3.702 3.815 6.053 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -3.614 3.946 7.799 1.00 0.00 H new ATOM 1002 N ALA A 68 -3.191 -1.324 6.442 1.00 0.00 N ATOM 1003 CA ALA A 68 -3.242 -2.357 5.414 1.00 0.00 C ATOM 1004 C ALA A 68 -4.682 -2.694 5.045 1.00 0.00 C ATOM 1005 O ALA A 68 -4.941 -3.295 4.003 1.00 0.00 O ATOM 1006 CB ALA A 68 -2.509 -3.605 5.883 1.00 0.00 C ATOM 0 H ALA A 68 -2.715 -1.605 7.299 1.00 0.00 H new ATOM 0 HA ALA A 68 -2.747 -1.972 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -2.555 -4.368 5.106 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -1.467 -3.359 6.089 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -2.979 -3.983 6.791 1.00 0.00 H new ATOM 1012 N ASN A 69 -5.616 -2.304 5.906 1.00 0.00 N ATOM 1013 CA ASN A 69 -7.031 -2.566 5.671 1.00 0.00 C ATOM 1014 C ASN A 69 -7.552 -1.732 4.504 1.00 0.00 C ATOM 1015 O ASN A 69 -8.618 -2.012 3.955 1.00 0.00 O ATOM 1016 CB ASN A 69 -7.844 -2.264 6.931 1.00 0.00 C ATOM 1017 CG ASN A 69 -9.334 -2.203 6.657 1.00 0.00 C ATOM 1018 OD1 ASN A 69 -10.002 -3.233 6.559 1.00 0.00 O ATOM 1019 ND2 ASN A 69 -9.863 -0.991 6.531 1.00 0.00 N ATOM 0 H ASN A 69 -5.418 -1.805 6.773 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.142 -3.621 5.420 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -7.646 -3.031 7.680 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -7.516 -1.314 7.353 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -10.861 -0.887 6.345 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.272 -0.165 6.620 1.00 0.00 H new ATOM 1026 N TYR A 70 -6.793 -0.708 4.131 1.00 0.00 N ATOM 1027 CA TYR A 70 -7.179 0.168 3.031 1.00 0.00 C ATOM 1028 C TYR A 70 -6.648 -0.360 1.702 1.00 0.00 C ATOM 1029 O TYR A 70 -7.026 0.121 0.634 1.00 0.00 O ATOM 1030 CB TYR A 70 -6.658 1.586 3.274 1.00 0.00 C ATOM 1031 CG TYR A 70 -7.624 2.464 4.036 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -8.162 2.050 5.248 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -7.998 3.709 3.544 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -9.046 2.849 5.947 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -8.881 4.515 4.237 1.00 0.00 C ATOM 1036 CZ TYR A 70 -9.402 4.080 5.438 1.00 0.00 C ATOM 1037 OH TYR A 70 -10.281 4.880 6.132 1.00 0.00 O ATOM 0 H TYR A 70 -5.907 -0.464 4.574 1.00 0.00 H new ATOM 0 HA TYR A 70 -8.268 0.191 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -5.719 1.530 3.825 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -6.436 2.052 2.314 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -7.884 1.087 5.651 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -7.592 4.052 2.604 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -9.456 2.511 6.887 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -9.162 5.480 3.841 1.00 0.00 H new ATOM 0 HH TYR A 70 -10.425 5.713 5.637 1.00 0.00 H new ATOM 1047 N VAL A 71 -5.769 -1.354 1.777 1.00 0.00 N ATOM 1048 CA VAL A 71 -5.186 -1.951 0.581 1.00 0.00 C ATOM 1049 C VAL A 71 -5.492 -3.442 0.506 1.00 0.00 C ATOM 1050 O VAL A 71 -6.041 -4.023 1.443 1.00 0.00 O ATOM 1051 CB VAL A 71 -3.659 -1.749 0.540 1.00 0.00 C ATOM 1052 CG1 VAL A 71 -3.306 -0.293 0.805 1.00 0.00 C ATOM 1053 CG2 VAL A 71 -2.974 -2.664 1.543 1.00 0.00 C ATOM 0 H VAL A 71 -5.445 -1.763 2.653 1.00 0.00 H new ATOM 0 HA VAL A 71 -5.635 -1.447 -0.275 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.302 -2.009 -0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.224 -0.169 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.767 0.337 0.044 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.675 -0.002 1.789 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.896 -2.508 1.501 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.334 -2.438 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.200 -3.703 1.302 1.00 0.00 H new ATOM 1063 N THR A 72 -5.134 -4.059 -0.616 1.00 0.00 N ATOM 1064 CA THR A 72 -5.371 -5.483 -0.815 1.00 0.00 C ATOM 1065 C THR A 72 -4.154 -6.162 -1.434 1.00 0.00 C ATOM 1066 O THR A 72 -3.336 -5.514 -2.087 1.00 0.00 O ATOM 1067 CB THR A 72 -6.595 -5.728 -1.717 1.00 0.00 C ATOM 1068 OG1 THR A 72 -6.839 -7.134 -1.840 1.00 0.00 O ATOM 1069 CG2 THR A 72 -6.382 -5.123 -3.096 1.00 0.00 C ATOM 0 H THR A 72 -4.678 -3.594 -1.401 1.00 0.00 H new ATOM 0 HA THR A 72 -5.562 -5.912 0.169 1.00 0.00 H new ATOM 0 HB THR A 72 -7.459 -5.248 -1.257 1.00 0.00 H new ATOM 0 HG1 THR A 72 -7.620 -7.282 -2.414 1.00 0.00 H new ATOM 0 HG21 THR A 72 -7.260 -5.309 -3.715 1.00 0.00 H new ATOM 0 HG22 THR A 72 -6.226 -4.048 -3.002 1.00 0.00 H new ATOM 0 HG23 THR A 72 -5.507 -5.577 -3.561 1.00 0.00 H new