USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 419 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 GLN : amide:sc= -0.0961 K(o=-0.096,f=-1.1) USER MOD Single : A 23 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.279 USER MOD Single : A 37 GLN : amide:sc= -0.0039 X(o=-0.0039,f=-0.11) USER MOD Single : A 38 GLN : amide:sc= -0.0181 X(o=-0.018,f=-0.16) USER MOD Single : A 46 GLN : amide:sc=-0.00469 X(o=-0.0047,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.391 X(o=-0.39,f=-0.33) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.93 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.507 -7.228 -2.991 1.00 0.00 N ATOM 230 CA GLN A 19 1.071 -6.628 -1.742 1.00 0.00 C ATOM 231 C GLN A 19 2.202 -6.668 -0.711 1.00 0.00 C ATOM 232 O GLN A 19 2.996 -7.607 -0.692 1.00 0.00 O ATOM 233 CB GLN A 19 -0.183 -7.323 -1.207 1.00 0.00 C ATOM 234 CG GLN A 19 -1.450 -6.686 -1.780 1.00 0.00 C ATOM 235 CD GLN A 19 -2.703 -7.387 -1.254 1.00 0.00 C ATOM 236 OE1 GLN A 19 -2.911 -7.529 -0.060 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.524 -7.817 -2.208 1.00 0.00 N ATOM 0 HA GLN A 19 0.815 -5.586 -1.932 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.155 -8.381 -1.466 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.201 -7.261 -0.119 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.482 -5.629 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.428 -6.741 -2.868 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.290 -7.665 -3.189 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.388 -8.298 -1.959 1.00 0.00 H new ATOM 246 N VAL A 20 2.239 -5.637 0.120 1.00 0.00 N ATOM 247 CA VAL A 20 3.259 -5.542 1.150 1.00 0.00 C ATOM 248 C VAL A 20 2.612 -5.090 2.461 1.00 0.00 C ATOM 249 O VAL A 20 1.724 -4.240 2.459 1.00 0.00 O ATOM 250 CB VAL A 20 4.385 -4.615 0.688 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.990 -5.103 -0.630 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.892 -3.172 0.564 1.00 0.00 C ATOM 0 H VAL A 20 1.579 -4.860 0.101 1.00 0.00 H new ATOM 0 HA VAL A 20 3.713 -6.517 1.330 1.00 0.00 H new ATOM 0 HB VAL A 20 5.169 -4.637 1.445 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.788 -4.427 -0.937 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.396 -6.106 -0.495 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.218 -5.125 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.712 -2.534 0.234 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.081 -3.126 -0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.531 -2.826 1.533 1.00 0.00 H new ATOM 262 N GLU A 21 3.084 -5.679 3.550 1.00 0.00 N ATOM 263 CA GLU A 21 2.564 -5.347 4.866 1.00 0.00 C ATOM 264 C GLU A 21 3.485 -4.345 5.564 1.00 0.00 C ATOM 265 O GLU A 21 4.677 -4.602 5.728 1.00 0.00 O ATOM 266 CB GLU A 21 2.379 -6.606 5.716 1.00 0.00 C ATOM 267 CG GLU A 21 1.740 -6.268 7.064 1.00 0.00 C ATOM 268 CD GLU A 21 1.252 -7.534 7.772 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.101 -8.427 7.987 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.042 -7.581 8.083 1.00 0.00 O ATOM 0 H GLU A 21 3.821 -6.384 3.548 1.00 0.00 H new ATOM 0 HA GLU A 21 1.585 -4.885 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.753 -7.321 5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.345 -7.085 5.877 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.464 -5.751 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.903 -5.586 6.913 1.00 0.00 H new ATOM 277 N ILE A 22 2.898 -3.224 5.956 1.00 0.00 N ATOM 278 CA ILE A 22 3.651 -2.181 6.633 1.00 0.00 C ATOM 279 C ILE A 22 4.070 -2.678 8.018 1.00 0.00 C ATOM 280 O ILE A 22 3.222 -3.007 8.846 1.00 0.00 O ATOM 281 CB ILE A 22 2.852 -0.877 6.663 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.346 -0.511 5.266 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.671 0.253 7.290 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.505 -0.118 4.348 1.00 0.00 C ATOM 0 H ILE A 22 1.909 -3.015 5.818 1.00 0.00 H new ATOM 0 HA ILE A 22 4.566 -1.954 6.085 1.00 0.00 H new ATOM 0 HB ILE A 22 1.976 -1.028 7.293 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.808 -1.357 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.638 0.314 5.337 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.080 1.169 7.299 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.940 -0.016 8.312 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.578 0.412 6.706 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.117 0.137 3.362 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.025 0.743 4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.199 -0.954 4.260 1.00 0.00 H new ATOM 296 N THR A 23 5.377 -2.718 8.227 1.00 0.00 N ATOM 297 CA THR A 23 5.919 -3.169 9.497 1.00 0.00 C ATOM 298 C THR A 23 5.765 -2.080 10.560 1.00 0.00 C ATOM 299 O THR A 23 5.611 -2.379 11.743 1.00 0.00 O ATOM 300 CB THR A 23 7.371 -3.593 9.268 1.00 0.00 C ATOM 301 OG1 THR A 23 8.027 -2.390 8.880 1.00 0.00 O ATOM 302 CG2 THR A 23 7.528 -4.512 8.054 1.00 0.00 C ATOM 0 H THR A 23 6.077 -2.445 7.537 1.00 0.00 H new ATOM 0 HA THR A 23 5.370 -4.030 9.877 1.00 0.00 H new ATOM 0 HB THR A 23 7.746 -4.099 10.157 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.975 -2.574 8.713 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.577 -4.783 7.936 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.934 -5.414 8.201 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.185 -3.994 7.159 1.00 0.00 H new ATOM 310 N LYS A 24 5.811 -0.838 10.100 1.00 0.00 N ATOM 311 CA LYS A 24 5.678 0.298 10.996 1.00 0.00 C ATOM 312 C LYS A 24 4.974 1.441 10.263 1.00 0.00 C ATOM 313 O LYS A 24 5.071 1.553 9.041 1.00 0.00 O ATOM 314 CB LYS A 24 7.040 0.685 11.575 1.00 0.00 C ATOM 315 CG LYS A 24 7.935 1.308 10.502 1.00 0.00 C ATOM 316 CD LYS A 24 9.026 0.329 10.062 1.00 0.00 C ATOM 317 CE LYS A 24 10.291 1.075 9.633 1.00 0.00 C ATOM 318 NZ LYS A 24 11.479 0.519 10.318 1.00 0.00 N ATOM 0 H LYS A 24 5.939 -0.594 9.118 1.00 0.00 H new ATOM 0 HA LYS A 24 5.056 0.037 11.852 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.904 1.391 12.394 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.526 -0.197 11.992 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.331 1.596 9.642 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.393 2.218 10.889 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.261 -0.351 10.881 1.00 0.00 H new ATOM 0 HD3 LYS A 24 8.661 -0.281 9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.417 0.997 8.553 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.192 2.135 9.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.328 1.037 10.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.363 0.615 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.581 -0.487 10.074 1.00 0.00 H new ATOM 332 N ALA A 25 4.281 2.261 11.039 1.00 0.00 N ATOM 333 CA ALA A 25 3.560 3.392 10.478 1.00 0.00 C ATOM 334 C ALA A 25 4.529 4.260 9.673 1.00 0.00 C ATOM 335 O ALA A 25 5.674 4.457 10.077 1.00 0.00 O ATOM 336 CB ALA A 25 2.877 4.171 11.604 1.00 0.00 C ATOM 0 H ALA A 25 4.203 2.165 12.052 1.00 0.00 H new ATOM 0 HA ALA A 25 2.780 3.051 9.798 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.336 5.019 11.184 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.178 3.518 12.126 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.629 4.532 12.305 1.00 0.00 H new ATOM 342 N PHE A 26 4.035 4.755 8.548 1.00 0.00 N ATOM 343 CA PHE A 26 4.843 5.598 7.682 1.00 0.00 C ATOM 344 C PHE A 26 4.203 6.976 7.505 1.00 0.00 C ATOM 345 O PHE A 26 3.528 7.227 6.508 1.00 0.00 O ATOM 346 CB PHE A 26 4.914 4.903 6.321 1.00 0.00 C ATOM 347 CG PHE A 26 5.295 5.832 5.167 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.455 6.541 5.220 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.475 5.949 4.089 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.809 7.404 4.149 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.829 6.811 3.018 1.00 0.00 C ATOM 352 CZ PHE A 26 5.988 7.521 3.070 1.00 0.00 C ATOM 0 H PHE A 26 3.085 4.589 8.216 1.00 0.00 H new ATOM 0 HA PHE A 26 5.832 5.740 8.119 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.640 4.092 6.376 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.946 4.450 6.105 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.106 6.448 6.076 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.554 5.386 4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.730 7.967 4.191 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.178 6.903 2.161 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.257 8.177 2.255 1.00 0.00 H new ATOM 362 N PHE A 27 4.436 7.832 8.489 1.00 0.00 N ATOM 363 CA PHE A 27 3.890 9.179 8.454 1.00 0.00 C ATOM 364 C PHE A 27 4.313 9.909 7.177 1.00 0.00 C ATOM 365 O PHE A 27 5.486 10.235 7.004 1.00 0.00 O ATOM 366 CB PHE A 27 4.458 9.923 9.664 1.00 0.00 C ATOM 367 CG PHE A 27 3.890 9.454 11.005 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.718 9.968 11.464 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.558 8.523 11.738 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.190 9.533 12.709 1.00 0.00 C ATOM 371 CE2 PHE A 27 4.030 8.088 12.983 1.00 0.00 C ATOM 372 CZ PHE A 27 2.858 8.602 13.442 1.00 0.00 C ATOM 0 H PHE A 27 4.995 7.620 9.315 1.00 0.00 H new ATOM 0 HA PHE A 27 2.801 9.140 8.475 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.541 9.801 9.677 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.259 10.988 9.549 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.188 10.707 10.882 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.489 8.115 11.374 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.259 9.941 13.073 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.560 7.349 13.565 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.457 8.271 14.389 1.00 0.00 H new ATOM 382 N ALA A 28 3.333 10.144 6.317 1.00 0.00 N ATOM 383 CA ALA A 28 3.589 10.829 5.061 1.00 0.00 C ATOM 384 C ALA A 28 3.942 12.291 5.346 1.00 0.00 C ATOM 385 O ALA A 28 3.307 12.935 6.179 1.00 0.00 O ATOM 386 CB ALA A 28 2.370 10.691 4.147 1.00 0.00 C ATOM 0 H ALA A 28 2.361 9.873 6.465 1.00 0.00 H new ATOM 0 HA ALA A 28 4.437 10.380 4.544 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.562 11.205 3.205 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.179 9.636 3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.500 11.134 4.631 1.00 0.00 H new ATOM 392 N LYS A 29 4.953 12.771 4.637 1.00 0.00 N ATOM 393 CA LYS A 29 5.398 14.144 4.803 1.00 0.00 C ATOM 394 C LYS A 29 5.030 14.949 3.555 1.00 0.00 C ATOM 395 O LYS A 29 4.710 16.133 3.648 1.00 0.00 O ATOM 396 CB LYS A 29 6.889 14.186 5.144 1.00 0.00 C ATOM 397 CG LYS A 29 7.744 13.955 3.897 1.00 0.00 C ATOM 398 CD LYS A 29 8.357 15.266 3.401 1.00 0.00 C ATOM 399 CE LYS A 29 9.860 15.113 3.162 1.00 0.00 C ATOM 400 NZ LYS A 29 10.342 16.143 2.215 1.00 0.00 N ATOM 0 H LYS A 29 5.477 12.233 3.946 1.00 0.00 H new ATOM 0 HA LYS A 29 4.888 14.611 5.646 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.137 15.151 5.586 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.116 13.425 5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.536 13.241 4.122 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.133 13.514 3.109 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.868 15.574 2.477 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.180 16.054 4.133 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.395 15.201 4.107 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.072 14.120 2.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.364 16.025 2.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.844 16.041 1.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.157 17.088 2.607 1.00 0.00 H new ATOM 414 N GLN A 30 5.087 14.274 2.417 1.00 0.00 N ATOM 415 CA GLN A 30 4.763 14.912 1.152 1.00 0.00 C ATOM 416 C GLN A 30 3.298 14.658 0.789 1.00 0.00 C ATOM 417 O GLN A 30 2.574 14.005 1.538 1.00 0.00 O ATOM 418 CB GLN A 30 5.695 14.429 0.039 1.00 0.00 C ATOM 419 CG GLN A 30 6.933 15.322 -0.066 1.00 0.00 C ATOM 420 CD GLN A 30 6.953 16.075 -1.398 1.00 0.00 C ATOM 421 OE1 GLN A 30 7.729 15.783 -2.293 1.00 0.00 O ATOM 422 NE2 GLN A 30 6.061 17.058 -1.477 1.00 0.00 N ATOM 0 H GLN A 30 5.353 13.292 2.344 1.00 0.00 H new ATOM 0 HA GLN A 30 4.909 15.987 1.262 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.999 13.401 0.235 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.162 14.427 -0.912 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.943 16.034 0.759 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.833 14.714 0.026 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.441 17.249 -0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.997 17.621 -2.325 1.00 0.00 H new ATOM 431 N ALA A 31 2.906 15.189 -0.360 1.00 0.00 N ATOM 432 CA ALA A 31 1.541 15.028 -0.831 1.00 0.00 C ATOM 433 C ALA A 31 1.457 13.789 -1.726 1.00 0.00 C ATOM 434 O ALA A 31 0.370 13.388 -2.137 1.00 0.00 O ATOM 435 CB ALA A 31 1.098 16.300 -1.556 1.00 0.00 C ATOM 0 H ALA A 31 3.510 15.731 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 31 0.862 14.876 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.074 16.179 -1.909 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.148 17.146 -0.870 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.756 16.482 -2.406 1.00 0.00 H new ATOM 441 N ASP A 32 2.621 13.217 -2.001 1.00 0.00 N ATOM 442 CA ASP A 32 2.693 12.032 -2.838 1.00 0.00 C ATOM 443 C ASP A 32 2.723 10.786 -1.951 1.00 0.00 C ATOM 444 O ASP A 32 2.380 9.693 -2.398 1.00 0.00 O ATOM 445 CB ASP A 32 3.963 12.037 -3.691 1.00 0.00 C ATOM 446 CG ASP A 32 5.186 12.671 -3.025 1.00 0.00 C ATOM 447 OD1 ASP A 32 5.684 12.062 -2.054 1.00 0.00 O ATOM 448 OD2 ASP A 32 5.596 13.751 -3.503 1.00 0.00 O ATOM 0 H ASP A 32 3.521 13.553 -1.659 1.00 0.00 H new ATOM 0 HA ASP A 32 1.820 12.027 -3.491 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.206 11.009 -3.960 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.757 12.569 -4.620 1.00 0.00 H new ATOM 453 N GLU A 33 3.136 10.993 -0.709 1.00 0.00 N ATOM 454 CA GLU A 33 3.215 9.901 0.245 1.00 0.00 C ATOM 455 C GLU A 33 1.856 9.677 0.911 1.00 0.00 C ATOM 456 O GLU A 33 0.922 10.449 0.697 1.00 0.00 O ATOM 457 CB GLU A 33 4.301 10.163 1.291 1.00 0.00 C ATOM 458 CG GLU A 33 5.674 10.305 0.631 1.00 0.00 C ATOM 459 CD GLU A 33 6.536 11.328 1.374 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.224 11.580 2.558 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.487 11.836 0.741 1.00 0.00 O ATOM 0 H GLU A 33 3.419 11.901 -0.342 1.00 0.00 H new ATOM 0 HA GLU A 33 3.487 8.994 -0.294 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.065 11.071 1.846 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.322 9.345 2.011 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.178 9.339 0.620 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.552 10.613 -0.408 1.00 0.00 H new ATOM 468 N VAL A 34 1.788 8.618 1.704 1.00 0.00 N ATOM 469 CA VAL A 34 0.558 8.283 2.402 1.00 0.00 C ATOM 470 C VAL A 34 0.898 7.713 3.780 1.00 0.00 C ATOM 471 O VAL A 34 1.847 6.943 3.920 1.00 0.00 O ATOM 472 CB VAL A 34 -0.283 7.330 1.551 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.556 6.150 1.057 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.511 6.844 2.324 1.00 0.00 C ATOM 0 H VAL A 34 2.565 7.980 1.879 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.047 9.176 2.560 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.633 7.881 0.678 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.066 5.488 0.455 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.384 6.520 0.452 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.949 5.600 1.912 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.092 6.168 1.697 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.190 6.319 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.127 7.699 2.603 1.00 0.00 H new ATOM 484 N THR A 35 0.105 8.113 4.763 1.00 0.00 N ATOM 485 CA THR A 35 0.310 7.652 6.125 1.00 0.00 C ATOM 486 C THR A 35 -0.176 6.209 6.279 1.00 0.00 C ATOM 487 O THR A 35 -1.280 5.874 5.851 1.00 0.00 O ATOM 488 CB THR A 35 -0.390 8.633 7.067 1.00 0.00 C ATOM 489 OG1 THR A 35 0.292 9.866 6.855 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.134 8.314 8.542 1.00 0.00 C ATOM 0 H THR A 35 -0.681 8.752 4.643 1.00 0.00 H new ATOM 0 HA THR A 35 1.369 7.634 6.381 1.00 0.00 H new ATOM 0 HB THR A 35 -1.463 8.618 6.874 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.100 10.559 7.426 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.654 9.040 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.502 7.313 8.767 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.936 8.361 8.744 1.00 0.00 H new ATOM 498 N LEU A 36 0.671 5.395 6.890 1.00 0.00 N ATOM 499 CA LEU A 36 0.341 3.996 7.105 1.00 0.00 C ATOM 500 C LEU A 36 0.534 3.653 8.583 1.00 0.00 C ATOM 501 O LEU A 36 1.130 4.426 9.331 1.00 0.00 O ATOM 502 CB LEU A 36 1.145 3.104 6.157 1.00 0.00 C ATOM 503 CG LEU A 36 1.282 3.607 4.718 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.508 2.993 4.038 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.001 3.353 3.924 1.00 0.00 C ATOM 0 H LEU A 36 1.585 5.677 7.243 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.707 3.811 6.868 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.144 2.974 6.572 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.679 2.119 6.134 1.00 0.00 H new ATOM 0 HG LEU A 36 1.435 4.686 4.746 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.583 3.366 3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.406 3.267 4.591 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.409 1.908 4.021 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.123 3.720 2.905 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.209 2.283 3.902 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.832 3.875 4.399 1.00 0.00 H new ATOM 517 N GLN A 37 0.018 2.492 8.960 1.00 0.00 N ATOM 518 CA GLN A 37 0.125 2.037 10.336 1.00 0.00 C ATOM 519 C GLN A 37 0.881 0.708 10.398 1.00 0.00 C ATOM 520 O GLN A 37 1.216 0.131 9.364 1.00 0.00 O ATOM 521 CB GLN A 37 -1.256 1.913 10.982 1.00 0.00 C ATOM 522 CG GLN A 37 -1.826 3.290 11.326 1.00 0.00 C ATOM 523 CD GLN A 37 -3.264 3.430 10.824 1.00 0.00 C ATOM 524 OE1 GLN A 37 -4.087 2.540 10.964 1.00 0.00 O ATOM 525 NE2 GLN A 37 -3.520 4.593 10.231 1.00 0.00 N ATOM 0 H GLN A 37 -0.475 1.853 8.337 1.00 0.00 H new ATOM 0 HA GLN A 37 0.688 2.780 10.901 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.933 1.394 10.304 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.185 1.308 11.886 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.798 3.440 12.405 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.204 4.066 10.880 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -2.785 5.295 10.147 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -4.451 4.782 9.860 1.00 0.00 H new ATOM 534 N GLN A 38 1.127 0.259 11.620 1.00 0.00 N ATOM 535 CA GLN A 38 1.836 -0.991 11.830 1.00 0.00 C ATOM 536 C GLN A 38 0.953 -2.176 11.434 1.00 0.00 C ATOM 537 O GLN A 38 -0.187 -2.283 11.885 1.00 0.00 O ATOM 538 CB GLN A 38 2.306 -1.118 13.281 1.00 0.00 C ATOM 539 CG GLN A 38 3.004 -2.459 13.515 1.00 0.00 C ATOM 540 CD GLN A 38 2.805 -2.936 14.956 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.697 -3.046 15.453 1.00 0.00 O ATOM 542 NE2 GLN A 38 3.938 -3.212 15.595 1.00 0.00 N ATOM 0 H GLN A 38 0.847 0.739 12.475 1.00 0.00 H new ATOM 0 HA GLN A 38 2.721 -0.995 11.194 1.00 0.00 H new ATOM 0 HB2 GLN A 38 2.989 -0.302 13.519 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.453 -1.026 13.953 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.610 -3.204 12.824 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.069 -2.361 13.304 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.833 -3.098 15.119 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.912 -3.538 16.561 1.00 0.00 H new ATOM 551 N ALA A 39 1.512 -3.036 10.595 1.00 0.00 N ATOM 552 CA ALA A 39 0.789 -4.209 10.134 1.00 0.00 C ATOM 553 C ALA A 39 -0.364 -3.768 9.229 1.00 0.00 C ATOM 554 O ALA A 39 -1.484 -4.257 9.363 1.00 0.00 O ATOM 555 CB ALA A 39 0.307 -5.019 11.339 1.00 0.00 C ATOM 0 H ALA A 39 2.457 -2.944 10.223 1.00 0.00 H new ATOM 0 HA ALA A 39 1.441 -4.856 9.547 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.235 -5.899 10.993 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.165 -5.332 11.933 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.353 -4.404 11.951 1.00 0.00 H new ATOM 561 N ASP A 40 -0.048 -2.850 8.327 1.00 0.00 N ATOM 562 CA ASP A 40 -1.044 -2.338 7.401 1.00 0.00 C ATOM 563 C ASP A 40 -0.764 -2.892 6.002 1.00 0.00 C ATOM 564 O ASP A 40 0.375 -2.871 5.538 1.00 0.00 O ATOM 565 CB ASP A 40 -0.991 -0.811 7.324 1.00 0.00 C ATOM 566 CG ASP A 40 -1.760 -0.081 8.427 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.860 -0.663 9.529 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.230 1.041 8.143 1.00 0.00 O ATOM 0 H ASP A 40 0.883 -2.448 8.218 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.027 -2.647 7.757 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.052 -0.496 7.360 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.386 -0.497 6.358 1.00 0.00 H new ATOM 573 N VAL A 41 -1.823 -3.375 5.369 1.00 0.00 N ATOM 574 CA VAL A 41 -1.706 -3.933 4.033 1.00 0.00 C ATOM 575 C VAL A 41 -1.936 -2.828 3.000 1.00 0.00 C ATOM 576 O VAL A 41 -2.796 -1.968 3.187 1.00 0.00 O ATOM 577 CB VAL A 41 -2.669 -5.111 3.871 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.467 -5.804 2.522 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.519 -6.105 5.025 1.00 0.00 C ATOM 0 H VAL A 41 -2.766 -3.391 5.757 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.702 -4.326 3.871 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.685 -4.718 3.897 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.164 -6.637 2.433 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.648 -5.092 1.717 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.445 -6.177 2.454 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.215 -6.932 4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.499 -6.488 5.045 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.737 -5.603 5.968 1.00 0.00 H new ATOM 589 N VAL A 42 -1.152 -2.885 1.934 1.00 0.00 N ATOM 590 CA VAL A 42 -1.259 -1.900 0.872 1.00 0.00 C ATOM 591 C VAL A 42 -1.160 -2.603 -0.483 1.00 0.00 C ATOM 592 O VAL A 42 -0.254 -3.405 -0.705 1.00 0.00 O ATOM 593 CB VAL A 42 -0.200 -0.811 1.059 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.086 0.064 -0.191 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.499 0.037 2.297 1.00 0.00 C ATOM 0 H VAL A 42 -0.439 -3.599 1.783 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.228 -1.403 0.910 1.00 0.00 H new ATOM 0 HB VAL A 42 0.761 -1.301 1.213 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.673 0.830 -0.031 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.196 -0.554 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.046 0.541 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.268 0.803 2.407 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.473 0.513 2.186 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.505 -0.600 3.181 1.00 0.00 H new ATOM 605 N LEU A 43 -2.104 -2.277 -1.354 1.00 0.00 N ATOM 606 CA LEU A 43 -2.134 -2.867 -2.681 1.00 0.00 C ATOM 607 C LEU A 43 -1.246 -2.048 -3.620 1.00 0.00 C ATOM 608 O LEU A 43 -1.586 -0.920 -3.974 1.00 0.00 O ATOM 609 CB LEU A 43 -3.576 -3.013 -3.170 1.00 0.00 C ATOM 610 CG LEU A 43 -3.761 -3.722 -4.513 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.386 -5.201 -4.409 1.00 0.00 C ATOM 612 CD2 LEU A 43 -5.182 -3.527 -5.045 1.00 0.00 C ATOM 0 H LEU A 43 -2.854 -1.612 -1.166 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.726 -3.877 -2.657 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.142 -3.557 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -4.016 -2.019 -3.243 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.082 -3.268 -5.235 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.527 -5.681 -5.377 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.342 -5.291 -4.107 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.021 -5.686 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.287 -4.041 -6.001 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.897 -3.938 -4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.376 -2.463 -5.182 1.00 0.00 H new ATOM 624 N VAL A 44 -0.126 -2.647 -3.996 1.00 0.00 N ATOM 625 CA VAL A 44 0.813 -1.986 -4.886 1.00 0.00 C ATOM 626 C VAL A 44 0.123 -1.689 -6.219 1.00 0.00 C ATOM 627 O VAL A 44 -0.728 -2.457 -6.666 1.00 0.00 O ATOM 628 CB VAL A 44 2.074 -2.839 -5.043 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.029 -2.223 -6.068 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.771 -3.041 -3.696 1.00 0.00 C ATOM 0 H VAL A 44 0.152 -3.583 -3.701 1.00 0.00 H new ATOM 0 HA VAL A 44 1.132 -1.032 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 44 1.772 -3.818 -5.414 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.917 -2.849 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.531 -2.155 -7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.321 -1.225 -5.740 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.664 -3.650 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.054 -2.072 -3.284 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.093 -3.544 -3.007 1.00 0.00 H new ATOM 640 N LEU A 45 0.514 -0.573 -6.816 1.00 0.00 N ATOM 641 CA LEU A 45 -0.056 -0.164 -8.088 1.00 0.00 C ATOM 642 C LEU A 45 1.073 0.127 -9.078 1.00 0.00 C ATOM 643 O LEU A 45 0.993 -0.253 -10.245 1.00 0.00 O ATOM 644 CB LEU A 45 -1.020 1.008 -7.892 1.00 0.00 C ATOM 645 CG LEU A 45 -2.344 0.679 -7.198 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.918 1.912 -6.499 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.340 0.062 -8.183 1.00 0.00 C ATOM 0 H LEU A 45 1.220 0.061 -6.442 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.654 -0.970 -8.514 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.511 1.778 -7.313 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.242 1.438 -8.869 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.150 -0.066 -6.427 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.859 1.650 -6.014 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.210 2.268 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.095 2.697 -7.234 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.272 -0.163 -7.665 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.535 0.766 -8.992 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.923 -0.857 -8.594 1.00 0.00 H new ATOM 659 N GLN A 46 2.098 0.800 -8.576 1.00 0.00 N ATOM 660 CA GLN A 46 3.242 1.147 -9.402 1.00 0.00 C ATOM 661 C GLN A 46 4.539 0.982 -8.609 1.00 0.00 C ATOM 662 O GLN A 46 4.737 1.642 -7.590 1.00 0.00 O ATOM 663 CB GLN A 46 3.111 2.570 -9.950 1.00 0.00 C ATOM 664 CG GLN A 46 2.684 2.555 -11.419 1.00 0.00 C ATOM 665 CD GLN A 46 1.743 3.722 -11.728 1.00 0.00 C ATOM 666 OE1 GLN A 46 2.142 4.873 -11.795 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.476 3.361 -11.911 1.00 0.00 N ATOM 0 H GLN A 46 2.160 1.114 -7.608 1.00 0.00 H new ATOM 0 HA GLN A 46 3.271 0.466 -10.253 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.380 3.124 -9.361 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.063 3.091 -9.850 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.565 2.614 -12.058 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.187 1.612 -11.648 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.210 2.379 -11.840 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.230 4.066 -12.122 1.00 0.00 H new ATOM 676 N GLN A 47 5.390 0.096 -9.105 1.00 0.00 N ATOM 677 CA GLN A 47 6.664 -0.165 -8.455 1.00 0.00 C ATOM 678 C GLN A 47 7.775 0.651 -9.118 1.00 0.00 C ATOM 679 O GLN A 47 8.072 0.461 -10.297 1.00 0.00 O ATOM 680 CB GLN A 47 6.994 -1.659 -8.475 1.00 0.00 C ATOM 681 CG GLN A 47 6.530 -2.340 -7.187 1.00 0.00 C ATOM 682 CD GLN A 47 7.129 -3.742 -7.061 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.445 -4.748 -7.152 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.442 -3.752 -6.848 1.00 0.00 N ATOM 0 H GLN A 47 5.223 -0.451 -9.950 1.00 0.00 H new ATOM 0 HA GLN A 47 6.587 0.142 -7.412 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.514 -2.130 -9.333 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.069 -1.796 -8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.822 -1.737 -6.327 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.442 -2.403 -7.177 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.955 -2.873 -6.782 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.936 -4.639 -6.750 1.00 0.00 H new ATOM 693 N GLU A 48 8.359 1.544 -8.332 1.00 0.00 N ATOM 694 CA GLU A 48 9.432 2.390 -8.828 1.00 0.00 C ATOM 695 C GLU A 48 10.677 2.236 -7.953 1.00 0.00 C ATOM 696 O GLU A 48 10.670 2.622 -6.784 1.00 0.00 O ATOM 697 CB GLU A 48 8.988 3.852 -8.899 1.00 0.00 C ATOM 698 CG GLU A 48 9.612 4.557 -10.105 1.00 0.00 C ATOM 699 CD GLU A 48 9.785 6.053 -9.837 1.00 0.00 C ATOM 700 OE1 GLU A 48 10.121 6.387 -8.681 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.577 6.829 -10.795 1.00 0.00 O ATOM 0 H GLU A 48 8.110 1.700 -7.355 1.00 0.00 H new ATOM 0 HA GLU A 48 9.682 2.071 -9.840 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.901 3.903 -8.966 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.275 4.368 -7.983 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.580 4.110 -10.331 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.981 4.412 -10.982 1.00 0.00 H new ATOM 708 N ASP A 49 11.716 1.673 -8.551 1.00 0.00 N ATOM 709 CA ASP A 49 12.966 1.465 -7.840 1.00 0.00 C ATOM 710 C ASP A 49 13.229 2.658 -6.919 1.00 0.00 C ATOM 711 O ASP A 49 13.651 3.719 -7.377 1.00 0.00 O ATOM 712 CB ASP A 49 14.141 1.351 -8.813 1.00 0.00 C ATOM 713 CG ASP A 49 15.159 0.260 -8.474 1.00 0.00 C ATOM 714 OD1 ASP A 49 15.951 0.494 -7.536 1.00 0.00 O ATOM 715 OD2 ASP A 49 15.121 -0.784 -9.160 1.00 0.00 O ATOM 0 H ASP A 49 11.718 1.354 -9.520 1.00 0.00 H new ATOM 0 HA ASP A 49 12.879 0.540 -7.270 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.749 1.163 -9.812 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.658 2.310 -8.849 1.00 0.00 H new ATOM 720 N GLY A 50 12.970 2.444 -5.637 1.00 0.00 N ATOM 721 CA GLY A 50 13.173 3.488 -4.648 1.00 0.00 C ATOM 722 C GLY A 50 11.912 3.702 -3.809 1.00 0.00 C ATOM 723 O GLY A 50 11.993 3.883 -2.595 1.00 0.00 O ATOM 0 H GLY A 50 12.621 1.562 -5.261 1.00 0.00 H new ATOM 0 HA2 GLY A 50 14.006 3.220 -3.997 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.444 4.418 -5.147 1.00 0.00 H new ATOM 727 N TRP A 51 10.775 3.673 -4.489 1.00 0.00 N ATOM 728 CA TRP A 51 9.499 3.861 -3.821 1.00 0.00 C ATOM 729 C TRP A 51 8.481 2.924 -4.474 1.00 0.00 C ATOM 730 O TRP A 51 8.570 2.640 -5.668 1.00 0.00 O ATOM 731 CB TRP A 51 9.070 5.330 -3.860 1.00 0.00 C ATOM 732 CG TRP A 51 9.818 6.223 -2.868 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.067 6.699 -2.966 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.310 6.731 -1.617 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.400 7.473 -1.873 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.297 7.494 -1.027 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.058 6.552 -1.004 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.135 8.138 0.205 1.00 0.00 C ATOM 739 CZ3 TRP A 51 7.911 7.203 0.228 1.00 0.00 C ATOM 740 CH2 TRP A 51 8.895 7.974 0.835 1.00 0.00 C ATOM 0 H TRP A 51 10.711 3.522 -5.496 1.00 0.00 H new ATOM 0 HA TRP A 51 9.577 3.609 -2.763 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.223 5.716 -4.868 1.00 0.00 H new ATOM 0 HB3 TRP A 51 8.001 5.391 -3.654 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.729 6.502 -3.796 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.291 7.943 -1.715 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.271 5.960 -1.447 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.924 8.730 0.646 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.967 7.098 0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.704 8.445 1.788 1.00 0.00 H new ATOM 751 N LEU A 52 7.537 2.469 -3.663 1.00 0.00 N ATOM 752 CA LEU A 52 6.504 1.570 -4.147 1.00 0.00 C ATOM 753 C LEU A 52 5.133 2.217 -3.939 1.00 0.00 C ATOM 754 O LEU A 52 4.788 2.605 -2.823 1.00 0.00 O ATOM 755 CB LEU A 52 6.641 0.194 -3.491 1.00 0.00 C ATOM 756 CG LEU A 52 8.070 -0.293 -3.248 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.810 -0.505 -4.570 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.823 0.658 -2.316 1.00 0.00 C ATOM 0 H LEU A 52 7.466 2.706 -2.674 1.00 0.00 H new ATOM 0 HA LEU A 52 6.618 1.400 -5.218 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.118 0.216 -2.535 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.130 -0.538 -4.117 1.00 0.00 H new ATOM 0 HG LEU A 52 8.020 -1.261 -2.749 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.824 -0.851 -4.368 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.284 -1.251 -5.166 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.851 0.436 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.836 0.288 -2.160 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.864 1.650 -2.765 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.306 0.714 -1.358 1.00 0.00 H new ATOM 770 N TYR A 53 4.387 2.312 -5.030 1.00 0.00 N ATOM 771 CA TYR A 53 3.062 2.905 -4.981 1.00 0.00 C ATOM 772 C TYR A 53 1.985 1.829 -4.829 1.00 0.00 C ATOM 773 O TYR A 53 2.096 0.749 -5.408 1.00 0.00 O ATOM 774 CB TYR A 53 2.869 3.617 -6.321 1.00 0.00 C ATOM 775 CG TYR A 53 1.623 4.504 -6.381 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.500 5.579 -5.524 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.623 4.229 -7.291 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.328 6.414 -5.580 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.549 5.064 -7.347 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.639 6.115 -6.489 1.00 0.00 C ATOM 781 OH TYR A 53 -1.746 6.903 -6.542 1.00 0.00 O ATOM 0 H TYR A 53 4.675 1.988 -5.953 1.00 0.00 H new ATOM 0 HA TYR A 53 2.976 3.582 -4.131 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.748 4.228 -6.526 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.809 2.870 -7.112 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.283 5.794 -4.811 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.719 3.388 -7.961 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.219 7.258 -4.915 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.339 4.860 -8.055 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.351 6.571 -7.238 1.00 0.00 H new ATOM 791 N GLY A 54 0.967 2.161 -4.049 1.00 0.00 N ATOM 792 CA GLY A 54 -0.129 1.236 -3.814 1.00 0.00 C ATOM 793 C GLY A 54 -1.324 1.951 -3.182 1.00 0.00 C ATOM 794 O GLY A 54 -1.306 3.170 -3.015 1.00 0.00 O ATOM 0 H GLY A 54 0.878 3.058 -3.571 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.431 0.778 -4.756 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.204 0.430 -3.160 1.00 0.00 H new ATOM 798 N GLU A 55 -2.335 1.163 -2.846 1.00 0.00 N ATOM 799 CA GLU A 55 -3.537 1.706 -2.236 1.00 0.00 C ATOM 800 C GLU A 55 -3.848 0.970 -0.931 1.00 0.00 C ATOM 801 O GLU A 55 -3.973 -0.253 -0.919 1.00 0.00 O ATOM 802 CB GLU A 55 -4.722 1.636 -3.201 1.00 0.00 C ATOM 803 CG GLU A 55 -5.984 2.219 -2.563 1.00 0.00 C ATOM 804 CD GLU A 55 -7.119 1.193 -2.556 1.00 0.00 C ATOM 805 OE1 GLU A 55 -6.793 -0.013 -2.547 1.00 0.00 O ATOM 806 OE2 GLU A 55 -8.287 1.639 -2.561 1.00 0.00 O ATOM 0 H GLU A 55 -2.346 0.153 -2.985 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.361 2.757 -2.005 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.485 2.183 -4.113 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.901 0.600 -3.488 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.767 2.534 -1.542 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.296 3.108 -3.112 1.00 0.00 H new ATOM 813 N ARG A 56 -3.965 1.747 0.136 1.00 0.00 N ATOM 814 CA ARG A 56 -4.260 1.185 1.443 1.00 0.00 C ATOM 815 C ARG A 56 -5.649 0.544 1.444 1.00 0.00 C ATOM 816 O ARG A 56 -6.653 1.231 1.259 1.00 0.00 O ATOM 817 CB ARG A 56 -4.200 2.259 2.531 1.00 0.00 C ATOM 818 CG ARG A 56 -3.852 1.645 3.888 1.00 0.00 C ATOM 819 CD ARG A 56 -3.336 2.711 4.857 1.00 0.00 C ATOM 820 NE ARG A 56 -4.270 3.859 4.890 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.300 4.775 5.867 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.447 4.684 6.897 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.182 5.782 5.815 1.00 0.00 N ATOM 0 H ARG A 56 -3.861 2.762 0.122 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.506 0.427 1.656 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.455 3.009 2.266 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.160 2.771 2.595 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.734 1.162 4.309 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.096 0.871 3.758 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.232 2.287 5.856 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.346 3.046 4.549 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.932 3.959 4.121 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.775 3.917 6.937 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.470 5.381 7.641 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.831 5.851 5.031 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.204 6.479 6.559 1.00 0.00 H new ATOM 837 N LEU A 57 -5.663 -0.764 1.654 1.00 0.00 N ATOM 838 CA LEU A 57 -6.912 -1.504 1.682 1.00 0.00 C ATOM 839 C LEU A 57 -7.741 -1.053 2.886 1.00 0.00 C ATOM 840 O LEU A 57 -8.920 -1.387 2.993 1.00 0.00 O ATOM 841 CB LEU A 57 -6.644 -3.010 1.650 1.00 0.00 C ATOM 842 CG LEU A 57 -6.037 -3.556 0.356 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.743 -2.973 -0.869 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.526 -3.317 0.316 1.00 0.00 C ATOM 0 H LEU A 57 -4.828 -1.330 1.806 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.501 -1.289 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.975 -3.257 2.474 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.584 -3.530 1.835 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.193 -4.635 0.334 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.292 -3.377 -1.775 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.800 -3.238 -0.840 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.641 -1.888 -0.866 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.119 -3.714 -0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.325 -2.247 0.372 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.056 -3.819 1.162 1.00 0.00 H new ATOM 856 N ARG A 58 -7.092 -0.300 3.762 1.00 0.00 N ATOM 857 CA ARG A 58 -7.755 0.201 4.954 1.00 0.00 C ATOM 858 C ARG A 58 -8.908 1.130 4.570 1.00 0.00 C ATOM 859 O ARG A 58 -10.071 0.820 4.825 1.00 0.00 O ATOM 860 CB ARG A 58 -6.775 0.960 5.851 1.00 0.00 C ATOM 861 CG ARG A 58 -7.462 1.441 7.131 1.00 0.00 C ATOM 862 CD ARG A 58 -6.524 2.319 7.961 1.00 0.00 C ATOM 863 NE ARG A 58 -7.291 3.399 8.619 1.00 0.00 N ATOM 864 CZ ARG A 58 -8.050 3.225 9.709 1.00 0.00 C ATOM 865 NH1 ARG A 58 -8.148 2.012 10.270 1.00 0.00 N ATOM 866 NH2 ARG A 58 -8.712 4.263 10.238 1.00 0.00 N ATOM 0 H ARG A 58 -6.114 -0.025 3.670 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.143 -0.657 5.503 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.935 0.314 6.106 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.368 1.814 5.310 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.361 2.003 6.876 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.780 0.582 7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.015 1.714 8.712 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.753 2.748 7.321 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.239 4.335 8.218 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.645 1.222 9.867 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.726 1.879 11.100 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.638 5.186 9.811 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.290 4.130 11.068 1.00 0.00 H new ATOM 880 N ASP A 59 -8.546 2.250 3.963 1.00 0.00 N ATOM 881 CA ASP A 59 -9.537 3.226 3.541 1.00 0.00 C ATOM 882 C ASP A 59 -9.550 3.305 2.013 1.00 0.00 C ATOM 883 O ASP A 59 -10.561 3.670 1.416 1.00 0.00 O ATOM 884 CB ASP A 59 -9.205 4.618 4.083 1.00 0.00 C ATOM 885 CG ASP A 59 -7.793 5.115 3.767 1.00 0.00 C ATOM 886 OD1 ASP A 59 -6.841 4.396 4.138 1.00 0.00 O ATOM 887 OD2 ASP A 59 -7.698 6.204 3.160 1.00 0.00 O ATOM 0 H ASP A 59 -7.581 2.504 3.753 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.506 2.910 3.927 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.924 5.330 3.678 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -9.338 4.611 5.165 1.00 0.00 H new ATOM 892 N GLY A 60 -8.415 2.958 1.425 1.00 0.00 N ATOM 893 CA GLY A 60 -8.283 2.985 -0.022 1.00 0.00 C ATOM 894 C GLY A 60 -7.355 4.116 -0.467 1.00 0.00 C ATOM 895 O GLY A 60 -7.287 4.439 -1.652 1.00 0.00 O ATOM 0 H GLY A 60 -7.578 2.657 1.924 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.892 2.030 -0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.265 3.115 -0.478 1.00 0.00 H new ATOM 899 N GLU A 61 -6.663 4.688 0.507 1.00 0.00 N ATOM 900 CA GLU A 61 -5.741 5.777 0.230 1.00 0.00 C ATOM 901 C GLU A 61 -4.594 5.289 -0.657 1.00 0.00 C ATOM 902 O GLU A 61 -3.902 4.333 -0.312 1.00 0.00 O ATOM 903 CB GLU A 61 -5.209 6.388 1.528 1.00 0.00 C ATOM 904 CG GLU A 61 -5.500 7.889 1.588 1.00 0.00 C ATOM 905 CD GLU A 61 -4.260 8.672 2.024 1.00 0.00 C ATOM 906 OE1 GLU A 61 -3.929 8.587 3.226 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.671 9.337 1.145 1.00 0.00 O ATOM 0 H GLU A 61 -6.722 4.418 1.489 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.281 6.557 -0.306 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.668 5.891 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.135 6.219 1.600 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.829 8.238 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.317 8.077 2.285 1.00 0.00 H new ATOM 914 N THR A 62 -4.428 5.969 -1.782 1.00 0.00 N ATOM 915 CA THR A 62 -3.377 5.617 -2.721 1.00 0.00 C ATOM 916 C THR A 62 -2.245 6.645 -2.665 1.00 0.00 C ATOM 917 O THR A 62 -2.441 7.808 -3.016 1.00 0.00 O ATOM 918 CB THR A 62 -4.007 5.482 -4.108 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.318 4.988 -3.847 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.353 4.381 -4.944 1.00 0.00 C ATOM 0 H THR A 62 -5.004 6.762 -2.064 1.00 0.00 H new ATOM 0 HA THR A 62 -2.920 4.662 -2.462 1.00 0.00 H new ATOM 0 HB THR A 62 -3.929 6.432 -4.636 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.799 4.872 -4.693 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.838 4.328 -5.919 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.295 4.605 -5.077 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.460 3.424 -4.433 1.00 0.00 H new ATOM 928 N GLY A 63 -1.087 6.180 -2.222 1.00 0.00 N ATOM 929 CA GLY A 63 0.076 7.045 -2.115 1.00 0.00 C ATOM 930 C GLY A 63 1.364 6.270 -2.403 1.00 0.00 C ATOM 931 O GLY A 63 1.318 5.096 -2.769 1.00 0.00 O ATOM 0 H GLY A 63 -0.929 5.215 -1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.018 7.875 -2.816 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.122 7.476 -1.115 1.00 0.00 H new ATOM 935 N TRP A 64 2.482 6.958 -2.226 1.00 0.00 N ATOM 936 CA TRP A 64 3.780 6.349 -2.462 1.00 0.00 C ATOM 937 C TRP A 64 4.327 5.865 -1.117 1.00 0.00 C ATOM 938 O TRP A 64 4.574 6.668 -0.219 1.00 0.00 O ATOM 939 CB TRP A 64 4.721 7.322 -3.175 1.00 0.00 C ATOM 940 CG TRP A 64 4.457 7.457 -4.676 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.714 8.379 -5.303 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.968 6.601 -5.719 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.708 8.181 -6.668 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.495 7.065 -6.930 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.801 5.472 -5.643 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.801 6.461 -8.155 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.098 4.879 -6.876 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.630 5.334 -8.103 1.00 0.00 C ATOM 0 H TRP A 64 2.516 7.931 -1.922 1.00 0.00 H new ATOM 0 HA TRP A 64 3.688 5.492 -3.129 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.631 8.304 -2.711 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.749 6.992 -3.026 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.186 9.177 -4.802 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.217 8.749 -7.358 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.182 5.092 -4.707 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.418 6.844 -9.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.735 4.007 -6.873 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.905 4.820 -9.012 1.00 0.00 H new ATOM 959 N PHE A 65 4.501 4.555 -1.022 1.00 0.00 N ATOM 960 CA PHE A 65 5.013 3.955 0.198 1.00 0.00 C ATOM 961 C PHE A 65 6.330 3.220 -0.064 1.00 0.00 C ATOM 962 O PHE A 65 6.441 2.462 -1.027 1.00 0.00 O ATOM 963 CB PHE A 65 3.966 2.947 0.675 1.00 0.00 C ATOM 964 CG PHE A 65 4.022 1.601 -0.051 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.039 0.734 0.202 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.055 1.272 -0.949 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.090 -0.515 -0.471 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.107 0.023 -1.622 1.00 0.00 C ATOM 969 CZ PHE A 65 4.124 -0.844 -1.369 1.00 0.00 C ATOM 0 H PHE A 65 4.296 3.892 -1.770 1.00 0.00 H new ATOM 0 HA PHE A 65 5.201 4.728 0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.100 2.778 1.743 1.00 0.00 H new ATOM 0 HB3 PHE A 65 2.974 3.379 0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.807 0.996 0.914 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.248 1.961 -1.150 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.897 -1.204 -0.269 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.339 -0.239 -2.335 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.164 -1.794 -1.882 1.00 0.00 H new ATOM 979 N PRO A 66 7.319 3.476 0.833 1.00 0.00 N ATOM 980 CA PRO A 66 8.623 2.848 0.708 1.00 0.00 C ATOM 981 C PRO A 66 8.568 1.380 1.137 1.00 0.00 C ATOM 982 O PRO A 66 7.743 1.003 1.967 1.00 0.00 O ATOM 983 CB PRO A 66 9.548 3.686 1.576 1.00 0.00 C ATOM 984 CG PRO A 66 8.644 4.466 2.516 1.00 0.00 C ATOM 985 CD PRO A 66 7.224 4.368 1.985 1.00 0.00 C ATOM 0 HA PRO A 66 8.980 2.821 -0.321 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.239 3.054 2.134 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.152 4.359 0.967 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.703 4.060 3.526 1.00 0.00 H new ATOM 0 HG3 PRO A 66 8.960 5.508 2.572 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.546 3.969 2.740 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.841 5.347 1.697 1.00 0.00 H new ATOM 993 N GLU A 67 9.457 0.592 0.551 1.00 0.00 N ATOM 994 CA GLU A 67 9.520 -0.826 0.861 1.00 0.00 C ATOM 995 C GLU A 67 10.124 -1.039 2.251 1.00 0.00 C ATOM 996 O GLU A 67 9.719 -1.946 2.975 1.00 0.00 O ATOM 997 CB GLU A 67 10.312 -1.586 -0.204 1.00 0.00 C ATOM 998 CG GLU A 67 11.585 -0.828 -0.585 1.00 0.00 C ATOM 999 CD GLU A 67 12.788 -1.772 -0.647 1.00 0.00 C ATOM 1000 OE1 GLU A 67 12.614 -2.878 -1.201 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.855 -1.365 -0.138 1.00 0.00 O ATOM 0 H GLU A 67 10.140 0.909 -0.137 1.00 0.00 H new ATOM 0 HA GLU A 67 8.505 -1.223 0.863 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.572 -2.577 0.169 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.692 -1.731 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.448 -0.343 -1.552 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.774 -0.039 0.143 1.00 0.00 H new ATOM 1008 N ASP A 68 11.084 -0.187 2.580 1.00 0.00 N ATOM 1009 CA ASP A 68 11.748 -0.270 3.870 1.00 0.00 C ATOM 1010 C ASP A 68 10.696 -0.279 4.981 1.00 0.00 C ATOM 1011 O ASP A 68 10.963 -0.740 6.090 1.00 0.00 O ATOM 1012 CB ASP A 68 12.665 0.934 4.096 1.00 0.00 C ATOM 1013 CG ASP A 68 13.537 1.316 2.899 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.113 0.385 2.296 1.00 0.00 O ATOM 1015 OD2 ASP A 68 13.608 2.531 2.613 1.00 0.00 O ATOM 0 H ASP A 68 11.418 0.564 1.976 1.00 0.00 H new ATOM 0 HA ASP A 68 12.342 -1.184 3.885 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.052 1.793 4.368 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.314 0.723 4.946 1.00 0.00 H new ATOM 1020 N PHE A 69 9.523 0.236 4.645 1.00 0.00 N ATOM 1021 CA PHE A 69 8.429 0.294 5.600 1.00 0.00 C ATOM 1022 C PHE A 69 7.330 -0.706 5.237 1.00 0.00 C ATOM 1023 O PHE A 69 6.170 -0.519 5.601 1.00 0.00 O ATOM 1024 CB PHE A 69 7.855 1.710 5.538 1.00 0.00 C ATOM 1025 CG PHE A 69 8.775 2.782 6.125 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.836 3.236 5.406 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.533 3.281 7.367 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.691 4.230 5.951 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.387 4.275 7.912 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.448 4.729 7.193 1.00 0.00 C ATOM 0 H PHE A 69 9.306 0.617 3.724 1.00 0.00 H new ATOM 0 HA PHE A 69 8.793 0.046 6.597 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.641 1.959 4.499 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.905 1.729 6.072 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.029 2.840 4.420 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.691 2.921 7.939 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.534 4.590 5.380 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.194 4.671 8.898 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.098 5.486 7.608 1.00 0.00 H new ATOM 1040 N ALA A 70 7.734 -1.746 4.522 1.00 0.00 N ATOM 1041 CA ALA A 70 6.797 -2.776 4.105 1.00 0.00 C ATOM 1042 C ALA A 70 7.563 -4.068 3.812 1.00 0.00 C ATOM 1043 O ALA A 70 8.782 -4.047 3.647 1.00 0.00 O ATOM 1044 CB ALA A 70 6.002 -2.283 2.894 1.00 0.00 C ATOM 0 H ALA A 70 8.697 -1.898 4.221 1.00 0.00 H new ATOM 0 HA ALA A 70 6.082 -2.989 4.900 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.299 -3.055 2.581 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.453 -1.380 3.162 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.686 -2.062 2.075 1.00 0.00 H new ATOM 1050 N ARG A 71 6.817 -5.161 3.757 1.00 0.00 N ATOM 1051 CA ARG A 71 7.411 -6.460 3.488 1.00 0.00 C ATOM 1052 C ARG A 71 6.610 -7.197 2.412 1.00 0.00 C ATOM 1053 O ARG A 71 5.453 -7.554 2.631 1.00 0.00 O ATOM 1054 CB ARG A 71 7.461 -7.317 4.754 1.00 0.00 C ATOM 1055 CG ARG A 71 8.799 -7.150 5.477 1.00 0.00 C ATOM 1056 CD ARG A 71 9.177 -8.427 6.230 1.00 0.00 C ATOM 1057 NE ARG A 71 10.104 -9.242 5.412 1.00 0.00 N ATOM 1058 CZ ARG A 71 10.486 -10.487 5.727 1.00 0.00 C ATOM 1059 NH1 ARG A 71 10.025 -11.068 6.842 1.00 0.00 N ATOM 1060 NH2 ARG A 71 11.330 -11.151 4.925 1.00 0.00 N ATOM 0 H ARG A 71 5.806 -5.174 3.894 1.00 0.00 H new ATOM 0 HA ARG A 71 8.429 -6.292 3.137 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.646 -7.035 5.421 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.312 -8.365 4.494 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.578 -6.904 4.756 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.737 -6.316 6.176 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.645 -8.173 7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.280 -9.002 6.460 1.00 0.00 H new ATOM 0 HE ARG A 71 10.475 -8.830 4.556 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.383 -10.563 7.452 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.316 -12.016 7.081 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.681 -10.708 4.076 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.621 -12.099 5.164 1.00 0.00 H new ATOM 1074 N PHE A 72 7.257 -7.403 1.275 1.00 0.00 N ATOM 1075 CA PHE A 72 6.619 -8.091 0.165 1.00 0.00 C ATOM 1076 C PHE A 72 6.154 -9.488 0.581 1.00 0.00 C ATOM 1077 O PHE A 72 6.950 -10.426 0.616 1.00 0.00 O ATOM 1078 CB PHE A 72 7.668 -8.223 -0.941 1.00 0.00 C ATOM 1079 CG PHE A 72 7.609 -7.111 -1.991 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.630 -7.118 -2.935 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.535 -6.115 -1.979 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.575 -6.087 -3.909 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.480 -5.084 -2.953 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.502 -5.091 -3.897 1.00 0.00 C ATOM 0 H PHE A 72 8.217 -7.106 1.098 1.00 0.00 H new ATOM 0 HA PHE A 72 5.745 -7.531 -0.168 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.660 -8.229 -0.488 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.539 -9.185 -1.437 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.894 -7.908 -2.944 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.312 -6.109 -1.229 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.798 -6.093 -4.659 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.216 -4.293 -2.944 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.461 -4.306 -4.638 1.00 0.00 H new