USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 412 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.366 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc=-0.00878 USER MOD Single : A 27 GLN : amide:sc= -0.046 K(o=-0.046,f=-2.5!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.054) USER MOD Single : A 47 MET CE :methyl 174:sc= 0 (180deg=-0.000116) USER MOD Single : A 57 CYS SG : rot 116:sc= -1.35 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.244 USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 209 N GLY A 17 7.820 1.189 3.663 1.00 0.00 N ATOM 210 CA GLY A 17 7.066 1.811 4.736 1.00 0.00 C ATOM 211 C GLY A 17 5.793 1.056 5.063 1.00 0.00 C ATOM 212 O GLY A 17 5.801 -0.170 5.171 1.00 0.00 O ATOM 0 HA2 GLY A 17 7.690 1.869 5.628 1.00 0.00 H new ATOM 0 HA3 GLY A 17 6.816 2.834 4.455 1.00 0.00 H new ATOM 216 N ILE A 18 4.696 1.790 5.221 1.00 0.00 N ATOM 217 CA ILE A 18 3.410 1.182 5.538 1.00 0.00 C ATOM 218 C ILE A 18 2.801 0.513 4.310 1.00 0.00 C ATOM 219 O ILE A 18 2.858 1.050 3.203 1.00 0.00 O ATOM 220 CB ILE A 18 2.416 2.221 6.088 1.00 0.00 C ATOM 221 CG1 ILE A 18 2.925 2.794 7.412 1.00 0.00 C ATOM 222 CG2 ILE A 18 1.041 1.596 6.269 1.00 0.00 C ATOM 223 CD1 ILE A 18 2.464 4.211 7.675 1.00 0.00 C ATOM 0 H ILE A 18 4.673 2.806 5.135 1.00 0.00 H new ATOM 0 HA ILE A 18 3.597 0.430 6.304 1.00 0.00 H new ATOM 0 HB ILE A 18 2.331 3.036 5.369 1.00 0.00 H new ATOM 0 HG12 ILE A 18 2.590 2.154 8.228 1.00 0.00 H new ATOM 0 HG13 ILE A 18 4.015 2.769 7.414 1.00 0.00 H new ATOM 0 HG21 ILE A 18 0.350 2.344 6.658 1.00 0.00 H new ATOM 0 HG22 ILE A 18 0.678 1.232 5.308 1.00 0.00 H new ATOM 0 HG23 ILE A 18 1.109 0.764 6.970 1.00 0.00 H new ATOM 0 HD11 ILE A 18 2.863 4.552 8.631 1.00 0.00 H new ATOM 0 HD12 ILE A 18 2.822 4.864 6.879 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.375 4.240 7.705 1.00 0.00 H new ATOM 235 N THR A 19 2.216 -0.663 4.513 1.00 0.00 N ATOM 236 CA THR A 19 1.595 -1.406 3.423 1.00 0.00 C ATOM 237 C THR A 19 0.172 -1.820 3.781 1.00 0.00 C ATOM 238 O THR A 19 -0.145 -2.041 4.950 1.00 0.00 O ATOM 239 CB THR A 19 2.409 -2.664 3.065 1.00 0.00 C ATOM 240 OG1 THR A 19 2.451 -3.555 4.185 1.00 0.00 O ATOM 241 CG2 THR A 19 3.825 -2.292 2.653 1.00 0.00 C ATOM 0 H THR A 19 2.159 -1.122 5.422 1.00 0.00 H new ATOM 0 HA THR A 19 1.571 -0.740 2.560 1.00 0.00 H new ATOM 0 HB THR A 19 1.921 -3.159 2.225 1.00 0.00 H new ATOM 0 HG1 THR A 19 2.969 -4.353 3.949 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.381 -3.196 2.405 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.790 -1.637 1.783 1.00 0.00 H new ATOM 0 HG23 THR A 19 4.320 -1.776 3.476 1.00 0.00 H new ATOM 249 N ALA A 20 -0.681 -1.925 2.768 1.00 0.00 N ATOM 250 CA ALA A 20 -2.070 -2.316 2.976 1.00 0.00 C ATOM 251 C ALA A 20 -2.579 -3.171 1.820 1.00 0.00 C ATOM 252 O ALA A 20 -2.051 -3.109 0.709 1.00 0.00 O ATOM 253 CB ALA A 20 -2.945 -1.083 3.148 1.00 0.00 C ATOM 0 H ALA A 20 -0.435 -1.745 1.795 1.00 0.00 H new ATOM 0 HA ALA A 20 -2.121 -2.914 3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -3.980 -1.390 3.302 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -2.603 -0.512 4.011 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -2.880 -0.463 2.254 1.00 0.00 H new ATOM 259 N VAL A 21 -3.607 -3.969 2.088 1.00 0.00 N ATOM 260 CA VAL A 21 -4.188 -4.837 1.070 1.00 0.00 C ATOM 261 C VAL A 21 -5.647 -4.479 0.811 1.00 0.00 C ATOM 262 O VAL A 21 -6.452 -4.404 1.738 1.00 0.00 O ATOM 263 CB VAL A 21 -4.099 -6.319 1.479 1.00 0.00 C ATOM 264 CG1 VAL A 21 -4.943 -6.584 2.716 1.00 0.00 C ATOM 265 CG2 VAL A 21 -4.530 -7.215 0.327 1.00 0.00 C ATOM 0 H VAL A 21 -4.055 -4.033 3.002 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.612 -4.685 0.157 1.00 0.00 H new ATOM 0 HB VAL A 21 -3.062 -6.550 1.721 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -4.867 -7.636 2.989 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.584 -5.968 3.540 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.984 -6.338 2.506 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -4.461 -8.259 0.633 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.559 -6.984 0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -3.879 -7.044 -0.530 1.00 0.00 H new ATOM 275 N ALA A 22 -5.980 -4.260 -0.457 1.00 0.00 N ATOM 276 CA ALA A 22 -7.343 -3.913 -0.840 1.00 0.00 C ATOM 277 C ALA A 22 -8.312 -5.040 -0.501 1.00 0.00 C ATOM 278 O ALA A 22 -7.998 -6.218 -0.679 1.00 0.00 O ATOM 279 CB ALA A 22 -7.408 -3.587 -2.324 1.00 0.00 C ATOM 0 H ALA A 22 -5.324 -4.317 -1.236 1.00 0.00 H new ATOM 0 HA ALA A 22 -7.640 -3.031 -0.273 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -8.432 -3.330 -2.596 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -6.752 -2.743 -2.540 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.086 -4.454 -2.901 1.00 0.00 H new ATOM 285 N LEU A 23 -9.491 -4.673 -0.011 1.00 0.00 N ATOM 286 CA LEU A 23 -10.508 -5.654 0.354 1.00 0.00 C ATOM 287 C LEU A 23 -11.542 -5.805 -0.756 1.00 0.00 C ATOM 288 O LEU A 23 -12.045 -6.901 -1.006 1.00 0.00 O ATOM 289 CB LEU A 23 -11.196 -5.244 1.657 1.00 0.00 C ATOM 290 CG LEU A 23 -10.292 -5.117 2.883 1.00 0.00 C ATOM 291 CD1 LEU A 23 -11.060 -4.522 4.053 1.00 0.00 C ATOM 292 CD2 LEU A 23 -9.710 -6.472 3.259 1.00 0.00 C ATOM 0 H LEU A 23 -9.767 -3.703 0.143 1.00 0.00 H new ATOM 0 HA LEU A 23 -10.015 -6.615 0.498 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -11.693 -4.287 1.496 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -11.974 -5.974 1.879 1.00 0.00 H new ATOM 0 HG LEU A 23 -9.469 -4.446 2.636 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -10.400 -4.439 4.917 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -11.428 -3.533 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -11.903 -5.167 4.301 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -9.069 -6.363 4.134 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -10.520 -7.165 3.487 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -9.124 -6.860 2.426 1.00 0.00 H new ATOM 304 N TYR A 24 -11.855 -4.698 -1.421 1.00 0.00 N ATOM 305 CA TYR A 24 -12.830 -4.707 -2.505 1.00 0.00 C ATOM 306 C TYR A 24 -12.357 -3.843 -3.670 1.00 0.00 C ATOM 307 O TYR A 24 -11.637 -2.863 -3.478 1.00 0.00 O ATOM 308 CB TYR A 24 -14.186 -4.209 -2.003 1.00 0.00 C ATOM 309 CG TYR A 24 -14.554 -4.731 -0.632 1.00 0.00 C ATOM 310 CD1 TYR A 24 -14.097 -4.100 0.518 1.00 0.00 C ATOM 311 CD2 TYR A 24 -15.357 -5.855 -0.488 1.00 0.00 C ATOM 312 CE1 TYR A 24 -14.430 -4.573 1.773 1.00 0.00 C ATOM 313 CE2 TYR A 24 -15.696 -6.335 0.763 1.00 0.00 C ATOM 314 CZ TYR A 24 -15.229 -5.691 1.890 1.00 0.00 C ATOM 315 OH TYR A 24 -15.564 -6.166 3.137 1.00 0.00 O ATOM 0 H TYR A 24 -11.447 -3.783 -1.228 1.00 0.00 H new ATOM 0 HA TYR A 24 -12.935 -5.733 -2.857 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -14.176 -3.119 -1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -14.958 -4.504 -2.714 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.471 -3.225 0.430 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -15.723 -6.363 -1.368 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -14.067 -4.070 2.657 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -16.323 -7.209 0.858 1.00 0.00 H new ATOM 0 HH TYR A 24 -16.133 -6.959 3.043 1.00 0.00 H new ATOM 325 N ASP A 25 -12.768 -4.214 -4.878 1.00 0.00 N ATOM 326 CA ASP A 25 -12.389 -3.473 -6.075 1.00 0.00 C ATOM 327 C ASP A 25 -12.804 -2.010 -5.963 1.00 0.00 C ATOM 328 O ASP A 25 -13.907 -1.700 -5.511 1.00 0.00 O ATOM 329 CB ASP A 25 -13.027 -4.104 -7.314 1.00 0.00 C ATOM 330 CG ASP A 25 -14.537 -4.188 -7.208 1.00 0.00 C ATOM 331 OD1 ASP A 25 -15.037 -5.171 -6.620 1.00 0.00 O ATOM 332 OD2 ASP A 25 -15.219 -3.271 -7.711 1.00 0.00 O ATOM 0 H ASP A 25 -13.363 -5.023 -5.054 1.00 0.00 H new ATOM 0 HA ASP A 25 -11.304 -3.517 -6.172 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.759 -3.520 -8.194 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.620 -5.104 -7.459 1.00 0.00 H new ATOM 337 N TYR A 26 -11.914 -1.114 -6.375 1.00 0.00 N ATOM 338 CA TYR A 26 -12.186 0.317 -6.318 1.00 0.00 C ATOM 339 C TYR A 26 -11.934 0.974 -7.671 1.00 0.00 C ATOM 340 O TYR A 26 -11.106 0.509 -8.454 1.00 0.00 O ATOM 341 CB TYR A 26 -11.319 0.980 -5.247 1.00 0.00 C ATOM 342 CG TYR A 26 -11.871 2.296 -4.749 1.00 0.00 C ATOM 343 CD1 TYR A 26 -11.655 3.474 -5.453 1.00 0.00 C ATOM 344 CD2 TYR A 26 -12.611 2.361 -3.574 1.00 0.00 C ATOM 345 CE1 TYR A 26 -12.157 4.679 -5.001 1.00 0.00 C ATOM 346 CE2 TYR A 26 -13.119 3.561 -3.116 1.00 0.00 C ATOM 347 CZ TYR A 26 -12.889 4.717 -3.832 1.00 0.00 C ATOM 348 OH TYR A 26 -13.393 5.915 -3.379 1.00 0.00 O ATOM 0 H TYR A 26 -10.997 -1.354 -6.752 1.00 0.00 H new ATOM 0 HA TYR A 26 -13.236 0.451 -6.060 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -11.213 0.298 -4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -10.320 1.144 -5.651 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.085 3.447 -6.370 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -12.792 1.458 -3.010 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -11.978 5.586 -5.559 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -13.693 3.594 -2.202 1.00 0.00 H new ATOM 0 HH TYR A 26 -13.885 5.768 -2.544 1.00 0.00 H new ATOM 358 N GLN A 27 -12.653 2.060 -7.938 1.00 0.00 N ATOM 359 CA GLN A 27 -12.508 2.782 -9.196 1.00 0.00 C ATOM 360 C GLN A 27 -12.367 4.280 -8.950 1.00 0.00 C ATOM 361 O GLN A 27 -13.356 4.980 -8.735 1.00 0.00 O ATOM 362 CB GLN A 27 -13.709 2.513 -10.104 1.00 0.00 C ATOM 363 CG GLN A 27 -13.824 1.064 -10.548 1.00 0.00 C ATOM 364 CD GLN A 27 -14.641 0.222 -9.588 1.00 0.00 C ATOM 365 OE1 GLN A 27 -15.190 0.731 -8.611 1.00 0.00 O ATOM 366 NE2 GLN A 27 -14.727 -1.074 -9.863 1.00 0.00 N ATOM 0 H GLN A 27 -13.342 2.459 -7.300 1.00 0.00 H new ATOM 0 HA GLN A 27 -11.603 2.426 -9.688 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -14.621 2.797 -9.579 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -13.637 3.150 -10.986 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -14.280 1.026 -11.537 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -12.826 0.636 -10.641 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -14.256 -1.454 -10.684 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -15.265 -1.690 -9.253 1.00 0.00 H new ATOM 375 N ALA A 28 -11.130 4.766 -8.984 1.00 0.00 N ATOM 376 CA ALA A 28 -10.859 6.182 -8.766 1.00 0.00 C ATOM 377 C ALA A 28 -11.859 7.054 -9.519 1.00 0.00 C ATOM 378 O ALA A 28 -12.084 6.866 -10.714 1.00 0.00 O ATOM 379 CB ALA A 28 -9.438 6.519 -9.190 1.00 0.00 C ATOM 0 H ALA A 28 -10.300 4.200 -9.160 1.00 0.00 H new ATOM 0 HA ALA A 28 -10.967 6.388 -7.701 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -9.250 7.579 -9.022 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.734 5.928 -8.604 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.310 6.292 -10.248 1.00 0.00 H new ATOM 385 N ALA A 29 -12.456 8.008 -8.812 1.00 0.00 N ATOM 386 CA ALA A 29 -13.430 8.909 -9.414 1.00 0.00 C ATOM 387 C ALA A 29 -12.740 9.989 -10.241 1.00 0.00 C ATOM 388 O ALA A 29 -13.353 10.602 -11.114 1.00 0.00 O ATOM 389 CB ALA A 29 -14.301 9.540 -8.338 1.00 0.00 C ATOM 0 H ALA A 29 -12.282 8.177 -7.821 1.00 0.00 H new ATOM 0 HA ALA A 29 -14.064 8.326 -10.082 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.024 10.211 -8.802 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.829 8.758 -7.793 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -13.674 10.104 -7.647 1.00 0.00 H new ATOM 395 N GLY A 30 -11.462 10.219 -9.958 1.00 0.00 N ATOM 396 CA GLY A 30 -10.711 11.226 -10.683 1.00 0.00 C ATOM 397 C GLY A 30 -9.228 10.917 -10.738 1.00 0.00 C ATOM 398 O GLY A 30 -8.739 10.056 -10.006 1.00 0.00 O ATOM 0 H GLY A 30 -10.933 9.725 -9.239 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.100 11.304 -11.698 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -10.859 12.196 -10.209 1.00 0.00 H new ATOM 402 N ASP A 31 -8.510 11.620 -11.607 1.00 0.00 N ATOM 403 CA ASP A 31 -7.073 11.416 -11.754 1.00 0.00 C ATOM 404 C ASP A 31 -6.380 11.435 -10.396 1.00 0.00 C ATOM 405 O ASP A 31 -5.435 10.681 -10.159 1.00 0.00 O ATOM 406 CB ASP A 31 -6.474 12.491 -12.662 1.00 0.00 C ATOM 407 CG ASP A 31 -4.959 12.512 -12.613 1.00 0.00 C ATOM 408 OD1 ASP A 31 -4.331 11.672 -13.291 1.00 0.00 O ATOM 409 OD2 ASP A 31 -4.401 13.370 -11.897 1.00 0.00 O ATOM 0 H ASP A 31 -8.899 12.336 -12.220 1.00 0.00 H new ATOM 0 HA ASP A 31 -6.914 10.438 -12.209 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.799 12.318 -13.688 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -6.858 13.467 -12.366 1.00 0.00 H new ATOM 414 N ASP A 32 -6.853 12.302 -9.508 1.00 0.00 N ATOM 415 CA ASP A 32 -6.278 12.420 -8.172 1.00 0.00 C ATOM 416 C ASP A 32 -6.277 11.071 -7.460 1.00 0.00 C ATOM 417 O ASP A 32 -5.259 10.648 -6.914 1.00 0.00 O ATOM 418 CB ASP A 32 -7.057 13.445 -7.347 1.00 0.00 C ATOM 419 CG ASP A 32 -6.978 14.841 -7.934 1.00 0.00 C ATOM 420 OD1 ASP A 32 -6.814 14.958 -9.167 1.00 0.00 O ATOM 421 OD2 ASP A 32 -7.081 15.816 -7.161 1.00 0.00 O ATOM 0 H ASP A 32 -7.633 12.934 -9.688 1.00 0.00 H new ATOM 0 HA ASP A 32 -5.247 12.757 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.101 13.139 -7.285 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -6.668 13.459 -6.329 1.00 0.00 H new ATOM 426 N GLU A 33 -7.426 10.401 -7.470 1.00 0.00 N ATOM 427 CA GLU A 33 -7.557 9.101 -6.823 1.00 0.00 C ATOM 428 C GLU A 33 -6.989 7.994 -7.707 1.00 0.00 C ATOM 429 O GLU A 33 -6.963 8.115 -8.932 1.00 0.00 O ATOM 430 CB GLU A 33 -9.025 8.811 -6.504 1.00 0.00 C ATOM 431 CG GLU A 33 -9.628 9.770 -5.492 1.00 0.00 C ATOM 432 CD GLU A 33 -11.119 9.966 -5.690 1.00 0.00 C ATOM 433 OE1 GLU A 33 -11.892 9.068 -5.296 1.00 0.00 O ATOM 434 OE2 GLU A 33 -11.512 11.016 -6.240 1.00 0.00 O ATOM 0 H GLU A 33 -8.278 10.737 -7.919 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.989 9.127 -5.893 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -9.605 8.857 -7.426 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.111 7.793 -6.124 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -9.445 9.393 -4.486 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.126 10.734 -5.567 1.00 0.00 H new ATOM 441 N ILE A 34 -6.535 6.916 -7.076 1.00 0.00 N ATOM 442 CA ILE A 34 -5.968 5.787 -7.805 1.00 0.00 C ATOM 443 C ILE A 34 -6.876 4.565 -7.718 1.00 0.00 C ATOM 444 O ILE A 34 -7.564 4.360 -6.718 1.00 0.00 O ATOM 445 CB ILE A 34 -4.573 5.415 -7.269 1.00 0.00 C ATOM 446 CG1 ILE A 34 -4.597 5.323 -5.742 1.00 0.00 C ATOM 447 CG2 ILE A 34 -3.541 6.434 -7.728 1.00 0.00 C ATOM 448 CD1 ILE A 34 -3.413 4.580 -5.163 1.00 0.00 C ATOM 0 H ILE A 34 -6.549 6.800 -6.063 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.878 6.096 -8.846 1.00 0.00 H new ATOM 0 HB ILE A 34 -4.294 4.440 -7.668 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -4.623 6.330 -5.326 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -5.516 4.826 -5.430 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.560 6.158 -7.341 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.509 6.454 -8.817 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.813 7.421 -7.355 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.496 4.554 -4.076 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.398 3.561 -5.551 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.491 5.089 -5.444 1.00 0.00 H new ATOM 460 N SER A 35 -6.873 3.756 -8.772 1.00 0.00 N ATOM 461 CA SER A 35 -7.697 2.555 -8.817 1.00 0.00 C ATOM 462 C SER A 35 -6.842 1.302 -8.656 1.00 0.00 C ATOM 463 O SER A 35 -5.794 1.166 -9.288 1.00 0.00 O ATOM 464 CB SER A 35 -8.472 2.491 -10.134 1.00 0.00 C ATOM 465 OG SER A 35 -7.596 2.315 -11.234 1.00 0.00 O ATOM 0 H SER A 35 -6.308 3.911 -9.607 1.00 0.00 H new ATOM 0 HA SER A 35 -8.405 2.600 -7.989 1.00 0.00 H new ATOM 0 HB2 SER A 35 -9.187 1.669 -10.099 1.00 0.00 H new ATOM 0 HB3 SER A 35 -9.047 3.408 -10.266 1.00 0.00 H new ATOM 0 HG SER A 35 -8.116 2.276 -12.064 1.00 0.00 H new ATOM 471 N PHE A 36 -7.296 0.388 -7.805 1.00 0.00 N ATOM 472 CA PHE A 36 -6.573 -0.854 -7.559 1.00 0.00 C ATOM 473 C PHE A 36 -7.534 -2.036 -7.475 1.00 0.00 C ATOM 474 O PHE A 36 -8.719 -1.866 -7.189 1.00 0.00 O ATOM 475 CB PHE A 36 -5.761 -0.749 -6.266 1.00 0.00 C ATOM 476 CG PHE A 36 -6.412 0.108 -5.218 1.00 0.00 C ATOM 477 CD1 PHE A 36 -7.689 -0.180 -4.764 1.00 0.00 C ATOM 478 CD2 PHE A 36 -5.746 1.200 -4.686 1.00 0.00 C ATOM 479 CE1 PHE A 36 -8.291 0.607 -3.801 1.00 0.00 C ATOM 480 CE2 PHE A 36 -6.343 1.991 -3.721 1.00 0.00 C ATOM 481 CZ PHE A 36 -7.616 1.693 -3.278 1.00 0.00 C ATOM 0 H PHE A 36 -8.162 0.484 -7.274 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.893 -1.020 -8.394 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.606 -1.749 -5.861 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.776 -0.342 -6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.220 -1.029 -5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.749 1.436 -5.029 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.288 0.373 -3.458 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -5.814 2.840 -3.315 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.084 2.308 -2.523 1.00 0.00 H new ATOM 491 N ASP A 37 -7.014 -3.233 -7.726 1.00 0.00 N ATOM 492 CA ASP A 37 -7.825 -4.444 -7.679 1.00 0.00 C ATOM 493 C ASP A 37 -7.968 -4.946 -6.245 1.00 0.00 C ATOM 494 O ASP A 37 -7.201 -4.581 -5.354 1.00 0.00 O ATOM 495 CB ASP A 37 -7.205 -5.533 -8.555 1.00 0.00 C ATOM 496 CG ASP A 37 -7.727 -5.498 -9.978 1.00 0.00 C ATOM 497 OD1 ASP A 37 -8.866 -5.957 -10.203 1.00 0.00 O ATOM 498 OD2 ASP A 37 -6.996 -5.013 -10.867 1.00 0.00 O ATOM 0 H ASP A 37 -6.035 -3.390 -7.964 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.817 -4.203 -8.061 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.122 -5.414 -8.565 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.414 -6.510 -8.118 1.00 0.00 H new ATOM 503 N PRO A 38 -8.974 -5.803 -6.016 1.00 0.00 N ATOM 504 CA PRO A 38 -9.241 -6.374 -4.692 1.00 0.00 C ATOM 505 C PRO A 38 -8.167 -7.366 -4.261 1.00 0.00 C ATOM 506 O PRO A 38 -7.773 -8.243 -5.031 1.00 0.00 O ATOM 507 CB PRO A 38 -10.584 -7.086 -4.878 1.00 0.00 C ATOM 508 CG PRO A 38 -10.647 -7.402 -6.332 1.00 0.00 C ATOM 509 CD PRO A 38 -9.927 -6.282 -7.031 1.00 0.00 C ATOM 0 HA PRO A 38 -9.251 -5.611 -3.913 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.639 -7.991 -4.273 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.415 -6.449 -4.575 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.175 -8.361 -6.544 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -11.680 -7.473 -6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -9.416 -6.631 -7.929 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -10.614 -5.494 -7.341 1.00 0.00 H new ATOM 517 N ASP A 39 -7.698 -7.223 -3.027 1.00 0.00 N ATOM 518 CA ASP A 39 -6.670 -8.109 -2.492 1.00 0.00 C ATOM 519 C ASP A 39 -5.303 -7.773 -3.082 1.00 0.00 C ATOM 520 O ASP A 39 -4.424 -8.632 -3.166 1.00 0.00 O ATOM 521 CB ASP A 39 -7.021 -9.568 -2.785 1.00 0.00 C ATOM 522 CG ASP A 39 -6.400 -10.525 -1.786 1.00 0.00 C ATOM 523 OD1 ASP A 39 -6.198 -10.119 -0.622 1.00 0.00 O ATOM 524 OD2 ASP A 39 -6.118 -11.680 -2.167 1.00 0.00 O ATOM 0 H ASP A 39 -8.013 -6.502 -2.378 1.00 0.00 H new ATOM 0 HA ASP A 39 -6.626 -7.964 -1.413 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.104 -9.687 -2.773 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -6.683 -9.825 -3.789 1.00 0.00 H new ATOM 529 N ASP A 40 -5.132 -6.521 -3.491 1.00 0.00 N ATOM 530 CA ASP A 40 -3.873 -6.072 -4.073 1.00 0.00 C ATOM 531 C ASP A 40 -2.888 -5.658 -2.985 1.00 0.00 C ATOM 532 O ASP A 40 -3.226 -5.643 -1.801 1.00 0.00 O ATOM 533 CB ASP A 40 -4.117 -4.903 -5.029 1.00 0.00 C ATOM 534 CG ASP A 40 -4.211 -3.573 -4.305 1.00 0.00 C ATOM 535 OD1 ASP A 40 -4.774 -3.543 -3.191 1.00 0.00 O ATOM 536 OD2 ASP A 40 -3.720 -2.564 -4.853 1.00 0.00 O ATOM 0 H ASP A 40 -5.850 -5.799 -3.430 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.442 -6.904 -4.630 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.309 -4.860 -5.759 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.039 -5.077 -5.584 1.00 0.00 H new ATOM 541 N ILE A 41 -1.668 -5.324 -3.393 1.00 0.00 N ATOM 542 CA ILE A 41 -0.635 -4.911 -2.453 1.00 0.00 C ATOM 543 C ILE A 41 -0.163 -3.490 -2.744 1.00 0.00 C ATOM 544 O ILE A 41 0.164 -3.155 -3.883 1.00 0.00 O ATOM 545 CB ILE A 41 0.577 -5.860 -2.494 1.00 0.00 C ATOM 546 CG1 ILE A 41 0.126 -7.307 -2.282 1.00 0.00 C ATOM 547 CG2 ILE A 41 1.601 -5.459 -1.443 1.00 0.00 C ATOM 548 CD1 ILE A 41 -0.619 -7.523 -0.983 1.00 0.00 C ATOM 0 H ILE A 41 -1.372 -5.332 -4.369 1.00 0.00 H new ATOM 0 HA ILE A 41 -1.081 -4.948 -1.459 1.00 0.00 H new ATOM 0 HB ILE A 41 1.045 -5.785 -3.475 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.514 -7.605 -3.112 1.00 0.00 H new ATOM 0 HG13 ILE A 41 1.000 -7.958 -2.303 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.451 -6.140 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.941 -4.441 -1.636 1.00 0.00 H new ATOM 0 HG23 ILE A 41 1.146 -5.508 -0.454 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -0.908 -8.571 -0.899 1.00 0.00 H new ATOM 0 HD12 ILE A 41 0.025 -7.256 -0.145 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -1.512 -6.898 -0.967 1.00 0.00 H new ATOM 560 N ILE A 42 -0.129 -2.660 -1.707 1.00 0.00 N ATOM 561 CA ILE A 42 0.306 -1.276 -1.851 1.00 0.00 C ATOM 562 C ILE A 42 1.511 -0.983 -0.963 1.00 0.00 C ATOM 563 O ILE A 42 1.681 -1.592 0.094 1.00 0.00 O ATOM 564 CB ILE A 42 -0.826 -0.291 -1.504 1.00 0.00 C ATOM 565 CG1 ILE A 42 -1.970 -0.420 -2.510 1.00 0.00 C ATOM 566 CG2 ILE A 42 -0.296 1.135 -1.475 1.00 0.00 C ATOM 567 CD1 ILE A 42 -3.016 -1.437 -2.109 1.00 0.00 C ATOM 0 H ILE A 42 -0.397 -2.922 -0.758 1.00 0.00 H new ATOM 0 HA ILE A 42 0.586 -1.140 -2.896 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.210 -0.535 -0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.448 0.552 -2.631 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.560 -0.697 -3.481 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.107 1.820 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 42 0.489 1.216 -0.723 1.00 0.00 H new ATOM 0 HG23 ILE A 42 0.111 1.392 -2.453 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.797 -1.475 -2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.552 -2.419 -2.016 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.454 -1.151 -1.153 1.00 0.00 H new ATOM 579 N THR A 43 2.345 -0.043 -1.397 1.00 0.00 N ATOM 580 CA THR A 43 3.533 0.332 -0.642 1.00 0.00 C ATOM 581 C THR A 43 3.695 1.847 -0.589 1.00 0.00 C ATOM 582 O THR A 43 3.060 2.576 -1.349 1.00 0.00 O ATOM 583 CB THR A 43 4.805 -0.288 -1.250 1.00 0.00 C ATOM 584 OG1 THR A 43 5.051 0.271 -2.545 1.00 0.00 O ATOM 585 CG2 THR A 43 4.670 -1.799 -1.362 1.00 0.00 C ATOM 0 H THR A 43 2.219 0.472 -2.268 1.00 0.00 H new ATOM 0 HA THR A 43 3.399 -0.052 0.369 1.00 0.00 H new ATOM 0 HB THR A 43 5.644 -0.062 -0.591 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.862 -0.127 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 43 5.580 -2.215 -1.794 1.00 0.00 H new ATOM 0 HG22 THR A 43 4.511 -2.225 -0.371 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.821 -2.042 -2.001 1.00 0.00 H new ATOM 593 N ASN A 44 4.551 2.315 0.314 1.00 0.00 N ATOM 594 CA ASN A 44 4.797 3.744 0.466 1.00 0.00 C ATOM 595 C ASN A 44 3.506 4.486 0.800 1.00 0.00 C ATOM 596 O ASN A 44 3.258 5.581 0.294 1.00 0.00 O ATOM 597 CB ASN A 44 5.409 4.316 -0.814 1.00 0.00 C ATOM 598 CG ASN A 44 6.692 3.609 -1.207 1.00 0.00 C ATOM 599 OD1 ASN A 44 6.906 3.293 -2.378 1.00 0.00 O ATOM 600 ND2 ASN A 44 7.553 3.358 -0.228 1.00 0.00 N ATOM 0 H ASN A 44 5.086 1.725 0.951 1.00 0.00 H new ATOM 0 HA ASN A 44 5.498 3.881 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 44 4.688 4.233 -1.627 1.00 0.00 H new ATOM 0 HB3 ASN A 44 5.611 5.378 -0.674 1.00 0.00 H new ATOM 0 HD21 ASN A 44 8.434 2.885 -0.432 1.00 0.00 H new ATOM 0 HD22 ASN A 44 7.334 3.638 0.728 1.00 0.00 H new ATOM 607 N ILE A 45 2.688 3.882 1.656 1.00 0.00 N ATOM 608 CA ILE A 45 1.424 4.485 2.059 1.00 0.00 C ATOM 609 C ILE A 45 1.652 5.652 3.014 1.00 0.00 C ATOM 610 O ILE A 45 2.324 5.509 4.035 1.00 0.00 O ATOM 611 CB ILE A 45 0.500 3.456 2.736 1.00 0.00 C ATOM 612 CG1 ILE A 45 0.074 2.383 1.732 1.00 0.00 C ATOM 613 CG2 ILE A 45 -0.719 4.148 3.329 1.00 0.00 C ATOM 614 CD1 ILE A 45 -0.630 1.205 2.369 1.00 0.00 C ATOM 0 H ILE A 45 2.878 2.976 2.083 1.00 0.00 H new ATOM 0 HA ILE A 45 0.944 4.850 1.151 1.00 0.00 H new ATOM 0 HB ILE A 45 1.049 2.973 3.545 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -0.586 2.833 0.990 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.955 2.025 1.199 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -1.363 3.408 3.804 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.397 4.879 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.271 4.654 2.537 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.903 0.484 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.035 0.730 3.090 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.530 1.551 2.878 1.00 0.00 H new ATOM 626 N GLU A 46 1.086 6.807 2.675 1.00 0.00 N ATOM 627 CA GLU A 46 1.228 7.998 3.503 1.00 0.00 C ATOM 628 C GLU A 46 -0.073 8.306 4.239 1.00 0.00 C ATOM 629 O GLU A 46 -1.140 8.381 3.631 1.00 0.00 O ATOM 630 CB GLU A 46 1.637 9.197 2.645 1.00 0.00 C ATOM 631 CG GLU A 46 2.514 10.199 3.377 1.00 0.00 C ATOM 632 CD GLU A 46 1.709 11.267 4.091 1.00 0.00 C ATOM 633 OE1 GLU A 46 1.189 10.983 5.190 1.00 0.00 O ATOM 634 OE2 GLU A 46 1.601 12.388 3.551 1.00 0.00 O ATOM 0 H GLU A 46 0.526 6.942 1.833 1.00 0.00 H new ATOM 0 HA GLU A 46 2.007 7.806 4.241 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.168 8.838 1.764 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.739 9.703 2.292 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.134 9.672 4.102 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.189 10.674 2.665 1.00 0.00 H new ATOM 641 N MET A 47 0.025 8.484 5.553 1.00 0.00 N ATOM 642 CA MET A 47 -1.143 8.784 6.372 1.00 0.00 C ATOM 643 C MET A 47 -1.364 10.290 6.473 1.00 0.00 C ATOM 644 O MET A 47 -0.687 10.976 7.239 1.00 0.00 O ATOM 645 CB MET A 47 -0.978 8.187 7.771 1.00 0.00 C ATOM 646 CG MET A 47 -0.899 6.669 7.778 1.00 0.00 C ATOM 647 SD MET A 47 -1.057 5.973 9.434 1.00 0.00 S ATOM 648 CE MET A 47 -1.728 4.355 9.059 1.00 0.00 C ATOM 0 H MET A 47 0.901 8.426 6.072 1.00 0.00 H new ATOM 0 HA MET A 47 -2.015 8.338 5.894 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.074 8.592 8.226 1.00 0.00 H new ATOM 0 HB3 MET A 47 -1.816 8.502 8.393 1.00 0.00 H new ATOM 0 HG2 MET A 47 -1.686 6.265 7.142 1.00 0.00 H new ATOM 0 HG3 MET A 47 0.052 6.356 7.346 1.00 0.00 H new ATOM 0 HE1 MET A 47 -1.782 3.763 9.973 1.00 0.00 H new ATOM 0 HE2 MET A 47 -2.727 4.464 8.638 1.00 0.00 H new ATOM 0 HE3 MET A 47 -1.083 3.852 8.338 1.00 0.00 H new ATOM 658 N ILE A 48 -2.314 10.797 5.695 1.00 0.00 N ATOM 659 CA ILE A 48 -2.623 12.222 5.697 1.00 0.00 C ATOM 660 C ILE A 48 -3.895 12.506 6.489 1.00 0.00 C ATOM 661 O ILE A 48 -3.868 13.224 7.490 1.00 0.00 O ATOM 662 CB ILE A 48 -2.791 12.764 4.266 1.00 0.00 C ATOM 663 CG1 ILE A 48 -1.512 12.537 3.458 1.00 0.00 C ATOM 664 CG2 ILE A 48 -3.148 14.243 4.298 1.00 0.00 C ATOM 665 CD1 ILE A 48 -1.705 12.690 1.965 1.00 0.00 C ATOM 0 H ILE A 48 -2.883 10.243 5.055 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.781 12.727 6.171 1.00 0.00 H new ATOM 0 HB ILE A 48 -3.605 12.224 3.782 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -0.751 13.242 3.792 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -1.133 11.537 3.667 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.263 14.612 3.279 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -4.083 14.380 4.841 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -2.354 14.798 4.797 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.757 12.515 1.456 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -2.442 11.967 1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -2.055 13.699 1.745 1.00 0.00 H new ATOM 677 N ASP A 49 -5.007 11.938 6.036 1.00 0.00 N ATOM 678 CA ASP A 49 -6.289 12.128 6.704 1.00 0.00 C ATOM 679 C ASP A 49 -6.687 10.878 7.483 1.00 0.00 C ATOM 680 O ASP A 49 -6.093 9.814 7.312 1.00 0.00 O ATOM 681 CB ASP A 49 -7.374 12.475 5.683 1.00 0.00 C ATOM 682 CG ASP A 49 -8.480 13.324 6.278 1.00 0.00 C ATOM 683 OD1 ASP A 49 -8.533 13.444 7.520 1.00 0.00 O ATOM 684 OD2 ASP A 49 -9.291 13.870 5.502 1.00 0.00 O ATOM 0 H ASP A 49 -5.047 11.342 5.209 1.00 0.00 H new ATOM 0 HA ASP A 49 -6.185 12.954 7.407 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.923 13.006 4.845 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.801 11.555 5.284 1.00 0.00 H new ATOM 689 N ASP A 50 -7.695 11.015 8.337 1.00 0.00 N ATOM 690 CA ASP A 50 -8.172 9.897 9.143 1.00 0.00 C ATOM 691 C ASP A 50 -9.164 9.046 8.356 1.00 0.00 C ATOM 692 O ASP A 50 -10.067 8.438 8.930 1.00 0.00 O ATOM 693 CB ASP A 50 -8.826 10.409 10.427 1.00 0.00 C ATOM 694 CG ASP A 50 -8.721 9.413 11.566 1.00 0.00 C ATOM 695 OD1 ASP A 50 -8.661 8.197 11.287 1.00 0.00 O ATOM 696 OD2 ASP A 50 -8.699 9.850 12.735 1.00 0.00 O ATOM 0 H ASP A 50 -8.198 11.889 8.489 1.00 0.00 H new ATOM 0 HA ASP A 50 -7.315 9.276 9.404 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -8.355 11.346 10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -9.876 10.627 10.234 1.00 0.00 H new ATOM 701 N GLY A 51 -8.990 9.008 7.038 1.00 0.00 N ATOM 702 CA GLY A 51 -9.878 8.230 6.195 1.00 0.00 C ATOM 703 C GLY A 51 -9.271 7.926 4.839 1.00 0.00 C ATOM 704 O GLY A 51 -9.491 6.852 4.280 1.00 0.00 O ATOM 0 H GLY A 51 -8.250 9.502 6.540 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.124 7.295 6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.813 8.774 6.058 1.00 0.00 H new ATOM 708 N TRP A 52 -8.508 8.875 4.309 1.00 0.00 N ATOM 709 CA TRP A 52 -7.869 8.704 3.009 1.00 0.00 C ATOM 710 C TRP A 52 -6.351 8.683 3.147 1.00 0.00 C ATOM 711 O TRP A 52 -5.787 9.367 4.001 1.00 0.00 O ATOM 712 CB TRP A 52 -8.292 9.825 2.058 1.00 0.00 C ATOM 713 CG TRP A 52 -9.761 9.828 1.760 1.00 0.00 C ATOM 714 CD1 TRP A 52 -10.767 10.211 2.601 1.00 0.00 C ATOM 715 CD2 TRP A 52 -10.388 9.429 0.537 1.00 0.00 C ATOM 716 NE1 TRP A 52 -11.982 10.073 1.974 1.00 0.00 N ATOM 717 CE2 TRP A 52 -11.776 9.596 0.706 1.00 0.00 C ATOM 718 CE3 TRP A 52 -9.912 8.948 -0.686 1.00 0.00 C ATOM 719 CZ2 TRP A 52 -12.690 9.298 -0.301 1.00 0.00 C ATOM 720 CZ3 TRP A 52 -10.820 8.653 -1.685 1.00 0.00 C ATOM 721 CH2 TRP A 52 -12.196 8.829 -1.488 1.00 0.00 C ATOM 0 H TRP A 52 -8.317 9.770 4.759 1.00 0.00 H new ATOM 0 HA TRP A 52 -8.191 7.747 2.597 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -8.015 10.785 2.493 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -7.739 9.727 1.124 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -10.628 10.570 3.610 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -12.890 10.290 2.386 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -8.853 8.809 -0.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -13.751 9.432 -0.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -10.463 8.280 -2.634 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -12.880 8.590 -2.289 1.00 0.00 H new ATOM 732 N TRP A 53 -5.695 7.896 2.302 1.00 0.00 N ATOM 733 CA TRP A 53 -4.241 7.788 2.330 1.00 0.00 C ATOM 734 C TRP A 53 -3.657 7.920 0.928 1.00 0.00 C ATOM 735 O TRP A 53 -4.369 7.776 -0.066 1.00 0.00 O ATOM 736 CB TRP A 53 -3.820 6.453 2.948 1.00 0.00 C ATOM 737 CG TRP A 53 -4.244 6.300 4.377 1.00 0.00 C ATOM 738 CD1 TRP A 53 -4.364 7.294 5.307 1.00 0.00 C ATOM 739 CD2 TRP A 53 -4.600 5.082 5.040 1.00 0.00 C ATOM 740 NE1 TRP A 53 -4.774 6.766 6.508 1.00 0.00 N ATOM 741 CE2 TRP A 53 -4.927 5.412 6.370 1.00 0.00 C ATOM 742 CE3 TRP A 53 -4.677 3.746 4.639 1.00 0.00 C ATOM 743 CZ2 TRP A 53 -5.322 4.453 7.299 1.00 0.00 C ATOM 744 CZ3 TRP A 53 -5.069 2.795 5.562 1.00 0.00 C ATOM 745 CH2 TRP A 53 -5.389 3.152 6.879 1.00 0.00 C ATOM 0 H TRP A 53 -6.147 7.323 1.589 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.853 8.602 2.942 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.245 5.639 2.361 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -2.736 6.358 2.886 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -4.166 8.340 5.125 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -4.938 7.297 7.364 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -4.435 3.461 3.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -5.567 4.726 8.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.130 1.759 5.263 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.694 2.386 7.576 1.00 0.00 H new ATOM 756 N ARG A 54 -2.359 8.193 0.855 1.00 0.00 N ATOM 757 CA ARG A 54 -1.681 8.345 -0.427 1.00 0.00 C ATOM 758 C ARG A 54 -0.437 7.463 -0.492 1.00 0.00 C ATOM 759 O ARG A 54 0.524 7.673 0.247 1.00 0.00 O ATOM 760 CB ARG A 54 -1.295 9.808 -0.654 1.00 0.00 C ATOM 761 CG ARG A 54 -2.363 10.615 -1.372 1.00 0.00 C ATOM 762 CD ARG A 54 -1.799 11.911 -1.933 1.00 0.00 C ATOM 763 NE ARG A 54 -2.528 12.359 -3.116 1.00 0.00 N ATOM 764 CZ ARG A 54 -2.555 13.622 -3.528 1.00 0.00 C ATOM 765 NH1 ARG A 54 -1.896 14.556 -2.857 1.00 0.00 N ATOM 766 NH2 ARG A 54 -3.242 13.952 -4.615 1.00 0.00 N ATOM 0 H ARG A 54 -1.755 8.314 1.668 1.00 0.00 H new ATOM 0 HA ARG A 54 -2.369 8.032 -1.213 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.086 10.273 0.309 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -0.372 9.846 -1.233 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -2.787 10.021 -2.182 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -3.176 10.839 -0.682 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.840 12.686 -1.167 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.749 11.769 -2.187 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.045 11.665 -3.656 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.366 14.306 -2.022 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.919 15.525 -3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.750 13.236 -5.134 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.262 14.922 -4.931 1.00 0.00 H new ATOM 780 N GLY A 55 -0.464 6.475 -1.381 1.00 0.00 N ATOM 781 CA GLY A 55 0.666 5.576 -1.525 1.00 0.00 C ATOM 782 C GLY A 55 0.914 5.184 -2.968 1.00 0.00 C ATOM 783 O GLY A 55 0.074 5.420 -3.837 1.00 0.00 O ATOM 0 H GLY A 55 -1.248 6.281 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.560 6.053 -1.123 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.490 4.678 -0.933 1.00 0.00 H new ATOM 787 N VAL A 56 2.072 4.583 -3.226 1.00 0.00 N ATOM 788 CA VAL A 56 2.429 4.158 -4.574 1.00 0.00 C ATOM 789 C VAL A 56 1.902 2.757 -4.866 1.00 0.00 C ATOM 790 O VAL A 56 2.449 1.764 -4.385 1.00 0.00 O ATOM 791 CB VAL A 56 3.955 4.174 -4.782 1.00 0.00 C ATOM 792 CG1 VAL A 56 4.302 3.802 -6.215 1.00 0.00 C ATOM 793 CG2 VAL A 56 4.526 5.537 -4.423 1.00 0.00 C ATOM 0 H VAL A 56 2.778 4.380 -2.519 1.00 0.00 H new ATOM 0 HA VAL A 56 1.969 4.867 -5.262 1.00 0.00 H new ATOM 0 HB VAL A 56 4.403 3.432 -4.121 1.00 0.00 H new ATOM 0 HG11 VAL A 56 5.384 3.819 -6.343 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.926 2.802 -6.433 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.845 4.518 -6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 56 5.605 5.531 -4.576 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.074 6.299 -5.057 1.00 0.00 H new ATOM 0 HG23 VAL A 56 4.309 5.759 -3.378 1.00 0.00 H new ATOM 803 N CYS A 57 0.837 2.685 -5.657 1.00 0.00 N ATOM 804 CA CYS A 57 0.235 1.405 -6.014 1.00 0.00 C ATOM 805 C CYS A 57 0.342 1.153 -7.514 1.00 0.00 C ATOM 806 O CYS A 57 0.085 2.044 -8.324 1.00 0.00 O ATOM 807 CB CYS A 57 -1.231 1.369 -5.581 1.00 0.00 C ATOM 808 SG CYS A 57 -2.248 0.203 -6.516 1.00 0.00 S ATOM 0 H CYS A 57 0.373 3.497 -6.063 1.00 0.00 H new ATOM 0 HA CYS A 57 0.779 0.618 -5.493 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -1.280 1.110 -4.523 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -1.654 2.368 -5.685 1.00 0.00 H new ATOM 0 HG CYS A 57 -2.683 -0.728 -5.720 1.00 0.00 H new ATOM 814 N LYS A 58 0.723 -0.066 -7.879 1.00 0.00 N ATOM 815 CA LYS A 58 0.865 -0.437 -9.282 1.00 0.00 C ATOM 816 C LYS A 58 1.498 0.696 -10.083 1.00 0.00 C ATOM 817 O LYS A 58 1.204 0.875 -11.264 1.00 0.00 O ATOM 818 CB LYS A 58 -0.500 -0.795 -9.876 1.00 0.00 C ATOM 819 CG LYS A 58 -1.090 -2.077 -9.315 1.00 0.00 C ATOM 820 CD LYS A 58 -2.582 -2.169 -9.587 1.00 0.00 C ATOM 821 CE LYS A 58 -3.302 -2.941 -8.491 1.00 0.00 C ATOM 822 NZ LYS A 58 -3.375 -4.397 -8.795 1.00 0.00 N ATOM 0 H LYS A 58 0.939 -0.815 -7.222 1.00 0.00 H new ATOM 0 HA LYS A 58 1.519 -1.307 -9.338 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.194 0.025 -9.692 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.402 -0.893 -10.957 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.585 -2.935 -9.758 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.912 -2.121 -8.241 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -3.002 -1.166 -9.663 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.748 -2.657 -10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -2.785 -2.793 -7.543 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -4.310 -2.544 -8.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.873 -4.888 -8.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.891 -4.540 -9.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.413 -4.781 -8.886 1.00 0.00 H new ATOM 836 N GLY A 59 2.371 1.459 -9.432 1.00 0.00 N ATOM 837 CA GLY A 59 3.034 2.564 -10.099 1.00 0.00 C ATOM 838 C GLY A 59 2.148 3.790 -10.210 1.00 0.00 C ATOM 839 O GLY A 59 2.160 4.482 -11.227 1.00 0.00 O ATOM 0 H GLY A 59 2.631 1.331 -8.454 1.00 0.00 H new ATOM 0 HA2 GLY A 59 3.941 2.823 -9.552 1.00 0.00 H new ATOM 0 HA3 GLY A 59 3.342 2.250 -11.096 1.00 0.00 H new ATOM 843 N ARG A 60 1.377 4.057 -9.161 1.00 0.00 N ATOM 844 CA ARG A 60 0.479 5.205 -9.146 1.00 0.00 C ATOM 845 C ARG A 60 0.306 5.742 -7.728 1.00 0.00 C ATOM 846 O ARG A 60 -0.099 5.012 -6.822 1.00 0.00 O ATOM 847 CB ARG A 60 -0.883 4.823 -9.727 1.00 0.00 C ATOM 848 CG ARG A 60 -0.932 4.871 -11.246 1.00 0.00 C ATOM 849 CD ARG A 60 -2.321 5.233 -11.747 1.00 0.00 C ATOM 850 NE ARG A 60 -2.611 4.625 -13.043 1.00 0.00 N ATOM 851 CZ ARG A 60 -2.246 5.159 -14.203 1.00 0.00 C ATOM 852 NH1 ARG A 60 -1.580 6.305 -14.229 1.00 0.00 N ATOM 853 NH2 ARG A 60 -2.546 4.546 -15.341 1.00 0.00 N ATOM 0 H ARG A 60 1.356 3.494 -8.311 1.00 0.00 H new ATOM 0 HA ARG A 60 0.922 5.988 -9.762 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -1.141 3.817 -9.395 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -1.641 5.495 -9.326 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.210 5.602 -11.612 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.639 3.903 -11.651 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.065 4.908 -11.020 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.406 6.317 -11.828 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.122 3.742 -13.058 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -1.347 6.779 -13.357 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.301 6.713 -15.121 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.058 3.664 -15.326 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.265 4.957 -16.231 1.00 0.00 H new ATOM 867 N TYR A 61 0.615 7.020 -7.542 1.00 0.00 N ATOM 868 CA TYR A 61 0.497 7.653 -6.234 1.00 0.00 C ATOM 869 C TYR A 61 -0.664 8.643 -6.211 1.00 0.00 C ATOM 870 O TYR A 61 -0.611 9.695 -6.846 1.00 0.00 O ATOM 871 CB TYR A 61 1.799 8.369 -5.871 1.00 0.00 C ATOM 872 CG TYR A 61 1.688 9.240 -4.640 1.00 0.00 C ATOM 873 CD1 TYR A 61 1.809 8.697 -3.367 1.00 0.00 C ATOM 874 CD2 TYR A 61 1.463 10.607 -4.751 1.00 0.00 C ATOM 875 CE1 TYR A 61 1.708 9.490 -2.240 1.00 0.00 C ATOM 876 CE2 TYR A 61 1.362 11.407 -3.630 1.00 0.00 C ATOM 877 CZ TYR A 61 1.484 10.844 -2.377 1.00 0.00 C ATOM 878 OH TYR A 61 1.384 11.637 -1.256 1.00 0.00 O ATOM 0 H TYR A 61 0.949 7.639 -8.281 1.00 0.00 H new ATOM 0 HA TYR A 61 0.301 6.873 -5.498 1.00 0.00 H new ATOM 0 HB2 TYR A 61 2.580 7.626 -5.711 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.113 8.984 -6.714 1.00 0.00 H new ATOM 0 HD1 TYR A 61 1.985 7.637 -3.256 1.00 0.00 H new ATOM 0 HD2 TYR A 61 1.365 11.051 -5.731 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.804 9.052 -1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.188 12.468 -3.734 1.00 0.00 H new ATOM 0 HH TYR A 61 1.227 12.566 -1.525 1.00 0.00 H new ATOM 888 N GLY A 62 -1.714 8.296 -5.473 1.00 0.00 N ATOM 889 CA GLY A 62 -2.874 9.163 -5.379 1.00 0.00 C ATOM 890 C GLY A 62 -3.662 8.941 -4.103 1.00 0.00 C ATOM 891 O GLY A 62 -3.262 8.151 -3.247 1.00 0.00 O ATOM 0 H GLY A 62 -1.782 7.430 -4.939 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.551 10.203 -5.427 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -3.523 8.991 -6.238 1.00 0.00 H new ATOM 895 N LEU A 63 -4.785 9.639 -3.974 1.00 0.00 N ATOM 896 CA LEU A 63 -5.631 9.516 -2.793 1.00 0.00 C ATOM 897 C LEU A 63 -6.525 8.284 -2.890 1.00 0.00 C ATOM 898 O LEU A 63 -7.063 7.976 -3.953 1.00 0.00 O ATOM 899 CB LEU A 63 -6.490 10.771 -2.623 1.00 0.00 C ATOM 900 CG LEU A 63 -5.847 11.924 -1.853 1.00 0.00 C ATOM 901 CD1 LEU A 63 -6.419 13.257 -2.311 1.00 0.00 C ATOM 902 CD2 LEU A 63 -6.046 11.743 -0.355 1.00 0.00 C ATOM 0 H LEU A 63 -5.131 10.296 -4.673 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.984 9.406 -1.923 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.770 11.132 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.412 10.490 -2.114 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.777 11.921 -2.060 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -5.949 14.066 -1.752 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -6.224 13.390 -3.375 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -7.495 13.271 -2.135 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.581 12.573 0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.112 11.719 -0.130 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -5.587 10.807 -0.037 1.00 0.00 H new ATOM 914 N PHE A 64 -6.681 7.583 -1.771 1.00 0.00 N ATOM 915 CA PHE A 64 -7.511 6.384 -1.730 1.00 0.00 C ATOM 916 C PHE A 64 -8.073 6.160 -0.329 1.00 0.00 C ATOM 917 O PHE A 64 -7.406 6.396 0.680 1.00 0.00 O ATOM 918 CB PHE A 64 -6.702 5.162 -2.169 1.00 0.00 C ATOM 919 CG PHE A 64 -5.663 4.740 -1.169 1.00 0.00 C ATOM 920 CD1 PHE A 64 -6.008 3.949 -0.085 1.00 0.00 C ATOM 921 CD2 PHE A 64 -4.343 5.134 -1.313 1.00 0.00 C ATOM 922 CE1 PHE A 64 -5.054 3.560 0.837 1.00 0.00 C ATOM 923 CE2 PHE A 64 -3.385 4.748 -0.395 1.00 0.00 C ATOM 924 CZ PHE A 64 -3.741 3.959 0.681 1.00 0.00 C ATOM 0 H PHE A 64 -6.244 7.824 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 64 -8.344 6.525 -2.419 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -7.383 4.330 -2.346 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -6.213 5.382 -3.118 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -7.033 3.633 0.041 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.059 5.750 -2.153 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -5.335 2.945 1.679 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.359 5.063 -0.519 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.994 3.655 1.399 1.00 0.00 H new ATOM 934 N PRO A 65 -9.329 5.695 -0.263 1.00 0.00 N ATOM 935 CA PRO A 65 -10.008 5.428 1.008 1.00 0.00 C ATOM 936 C PRO A 65 -9.420 4.226 1.740 1.00 0.00 C ATOM 937 O PRO A 65 -9.216 3.167 1.148 1.00 0.00 O ATOM 938 CB PRO A 65 -11.452 5.143 0.586 1.00 0.00 C ATOM 939 CG PRO A 65 -11.346 4.658 -0.819 1.00 0.00 C ATOM 940 CD PRO A 65 -10.182 5.391 -1.424 1.00 0.00 C ATOM 0 HA PRO A 65 -9.909 6.260 1.705 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.912 4.394 1.230 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.068 6.040 0.650 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -11.186 3.580 -0.849 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.264 4.860 -1.372 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.659 4.778 -2.158 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -10.501 6.298 -1.937 1.00 0.00 H new ATOM 948 N ALA A 66 -9.150 4.399 3.030 1.00 0.00 N ATOM 949 CA ALA A 66 -8.588 3.327 3.842 1.00 0.00 C ATOM 950 C ALA A 66 -9.655 2.305 4.218 1.00 0.00 C ATOM 951 O ALA A 66 -9.362 1.292 4.851 1.00 0.00 O ATOM 952 CB ALA A 66 -7.937 3.899 5.093 1.00 0.00 C ATOM 0 H ALA A 66 -9.311 5.271 3.535 1.00 0.00 H new ATOM 0 HA ALA A 66 -7.828 2.817 3.251 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -7.521 3.088 5.690 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -7.139 4.585 4.807 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -8.684 4.435 5.679 1.00 0.00 H new ATOM 958 N ASN A 67 -10.895 2.579 3.824 1.00 0.00 N ATOM 959 CA ASN A 67 -12.006 1.683 4.121 1.00 0.00 C ATOM 960 C ASN A 67 -12.025 0.500 3.157 1.00 0.00 C ATOM 961 O ASN A 67 -12.527 -0.575 3.487 1.00 0.00 O ATOM 962 CB ASN A 67 -13.334 2.440 4.043 1.00 0.00 C ATOM 963 CG ASN A 67 -13.577 3.308 5.263 1.00 0.00 C ATOM 964 OD1 ASN A 67 -14.237 2.890 6.214 1.00 0.00 O ATOM 965 ND2 ASN A 67 -13.043 4.524 5.239 1.00 0.00 N ATOM 0 H ASN A 67 -11.155 3.414 3.299 1.00 0.00 H new ATOM 0 HA ASN A 67 -11.871 1.302 5.133 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -13.342 3.064 3.149 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -14.151 1.726 3.940 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -13.173 5.154 6.031 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -12.503 4.828 4.429 1.00 0.00 H new ATOM 972 N TYR A 68 -11.474 0.707 1.966 1.00 0.00 N ATOM 973 CA TYR A 68 -11.429 -0.341 0.953 1.00 0.00 C ATOM 974 C TYR A 68 -10.103 -1.094 1.007 1.00 0.00 C ATOM 975 O TYR A 68 -9.751 -1.822 0.079 1.00 0.00 O ATOM 976 CB TYR A 68 -11.632 0.258 -0.439 1.00 0.00 C ATOM 977 CG TYR A 68 -13.079 0.548 -0.769 1.00 0.00 C ATOM 978 CD1 TYR A 68 -13.741 1.624 -0.191 1.00 0.00 C ATOM 979 CD2 TYR A 68 -13.785 -0.255 -1.656 1.00 0.00 C ATOM 980 CE1 TYR A 68 -15.063 1.893 -0.488 1.00 0.00 C ATOM 981 CE2 TYR A 68 -15.107 0.007 -1.960 1.00 0.00 C ATOM 982 CZ TYR A 68 -15.742 1.082 -1.374 1.00 0.00 C ATOM 983 OH TYR A 68 -17.059 1.345 -1.673 1.00 0.00 O ATOM 0 H TYR A 68 -11.053 1.590 1.679 1.00 0.00 H new ATOM 0 HA TYR A 68 -12.235 -1.046 1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -11.059 1.182 -0.515 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -11.229 -0.429 -1.183 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -13.213 2.261 0.503 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -13.292 -1.099 -2.116 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -15.562 2.734 -0.029 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -15.640 -0.627 -2.653 1.00 0.00 H new ATOM 0 HH TYR A 68 -17.388 0.680 -2.314 1.00 0.00 H new ATOM 993 N VAL A 69 -9.372 -0.913 2.102 1.00 0.00 N ATOM 994 CA VAL A 69 -8.085 -1.576 2.280 1.00 0.00 C ATOM 995 C VAL A 69 -7.828 -1.891 3.749 1.00 0.00 C ATOM 996 O VAL A 69 -8.539 -1.410 4.631 1.00 0.00 O ATOM 997 CB VAL A 69 -6.929 -0.711 1.742 1.00 0.00 C ATOM 998 CG1 VAL A 69 -7.251 -0.196 0.348 1.00 0.00 C ATOM 999 CG2 VAL A 69 -6.641 0.443 2.692 1.00 0.00 C ATOM 0 H VAL A 69 -9.649 -0.313 2.879 1.00 0.00 H new ATOM 0 HA VAL A 69 -8.127 -2.506 1.714 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.035 -1.331 1.677 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.423 0.413 -0.015 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -7.404 -1.040 -0.325 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -8.157 0.408 0.384 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.822 1.044 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -7.531 1.064 2.791 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.363 0.049 3.670 1.00 0.00 H new ATOM 1009 N GLU A 70 -6.806 -2.703 4.004 1.00 0.00 N ATOM 1010 CA GLU A 70 -6.456 -3.083 5.368 1.00 0.00 C ATOM 1011 C GLU A 70 -4.949 -2.982 5.591 1.00 0.00 C ATOM 1012 O GLU A 70 -4.159 -3.545 4.832 1.00 0.00 O ATOM 1013 CB GLU A 70 -6.931 -4.507 5.662 1.00 0.00 C ATOM 1014 CG GLU A 70 -6.809 -4.900 7.125 1.00 0.00 C ATOM 1015 CD GLU A 70 -7.863 -5.904 7.550 1.00 0.00 C ATOM 1016 OE1 GLU A 70 -9.053 -5.679 7.247 1.00 0.00 O ATOM 1017 OE2 GLU A 70 -7.497 -6.914 8.185 1.00 0.00 O ATOM 0 H GLU A 70 -6.207 -3.110 3.285 1.00 0.00 H new ATOM 0 HA GLU A 70 -6.954 -2.393 6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -7.972 -4.605 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -6.353 -5.206 5.057 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -5.819 -5.321 7.303 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -6.892 -4.007 7.745 1.00 0.00 H new ATOM 1024 N LEU A 71 -4.559 -2.261 6.635 1.00 0.00 N ATOM 1025 CA LEU A 71 -3.148 -2.084 6.959 1.00 0.00 C ATOM 1026 C LEU A 71 -2.505 -3.415 7.337 1.00 0.00 C ATOM 1027 O LEU A 71 -2.927 -4.071 8.290 1.00 0.00 O ATOM 1028 CB LEU A 71 -2.988 -1.084 8.106 1.00 0.00 C ATOM 1029 CG LEU A 71 -3.239 0.383 7.756 1.00 0.00 C ATOM 1030 CD1 LEU A 71 -3.470 1.200 9.018 1.00 0.00 C ATOM 1031 CD2 LEU A 71 -2.074 0.949 6.958 1.00 0.00 C ATOM 0 H LEU A 71 -5.200 -1.789 7.272 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.644 -1.696 6.074 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.671 -1.368 8.907 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.977 -1.175 8.502 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.136 0.441 7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.647 2.242 8.750 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -4.338 0.810 9.550 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.591 1.135 9.660 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.271 1.994 6.718 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.160 0.878 7.548 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.955 0.381 6.035 1.00 0.00 H new ATOM 1043 N ARG A 72 -1.482 -3.807 6.585 1.00 0.00 N ATOM 1044 CA ARG A 72 -0.781 -5.059 6.842 1.00 0.00 C ATOM 1045 C ARG A 72 0.100 -4.944 8.082 1.00 0.00 C ATOM 1046 O ARG A 72 0.265 -3.859 8.639 1.00 0.00 O ATOM 1047 CB ARG A 72 0.071 -5.449 5.632 1.00 0.00 C ATOM 1048 CG ARG A 72 -0.735 -6.023 4.479 1.00 0.00 C ATOM 1049 CD ARG A 72 0.088 -6.089 3.202 1.00 0.00 C ATOM 1050 NE ARG A 72 0.849 -7.332 3.105 1.00 0.00 N ATOM 1051 CZ ARG A 72 0.324 -8.486 2.708 1.00 0.00 C ATOM 1052 NH1 ARG A 72 -0.957 -8.555 2.373 1.00 0.00 N ATOM 1053 NH2 ARG A 72 1.081 -9.574 2.645 1.00 0.00 N ATOM 0 H ARG A 72 -1.120 -3.276 5.793 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.527 -5.834 7.018 1.00 0.00 H new ATOM 0 HB2 ARG A 72 0.614 -4.571 5.283 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.816 -6.181 5.944 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.085 -7.022 4.740 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -1.620 -5.409 4.311 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -0.573 -6.000 2.340 1.00 0.00 H new ATOM 0 HD3 ARG A 72 0.772 -5.241 3.168 1.00 0.00 H new ATOM 0 HE ARG A 72 1.838 -7.313 3.356 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -1.542 -7.721 2.420 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -1.357 -9.442 2.069 1.00 0.00 H new ATOM 0 HH21 ARG A 72 2.067 -9.525 2.902 1.00 0.00 H new ATOM 0 HH22 ARG A 72 0.677 -10.460 2.340 1.00 0.00 H new