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= -2.17 K(o=-2.2,f=-5.7!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0352 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= -0.029 X(o=-0.029,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= -0.34 X(o=-0.34,f=-0.33) USER MOD Single : A 38 GLN : amide:sc= -0.153 K(o=-0.15,f=-1.1) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc=-0.00368 X(o=-0.0037,f=0) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.108 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.309 -7.103 -2.801 1.00 0.00 N ATOM 230 CA GLN A 19 0.948 -6.405 -1.579 1.00 0.00 C ATOM 231 C GLN A 19 2.090 -6.489 -0.564 1.00 0.00 C ATOM 232 O GLN A 19 2.851 -7.455 -0.558 1.00 0.00 O ATOM 233 CB GLN A 19 -0.350 -6.963 -0.992 1.00 0.00 C ATOM 234 CG GLN A 19 -1.567 -6.220 -1.547 1.00 0.00 C ATOM 235 CD GLN A 19 -2.858 -6.986 -1.253 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.383 -6.970 -0.152 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.339 -7.656 -2.297 1.00 0.00 N ATOM 0 HA GLN A 19 0.777 -5.356 -1.819 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.431 -8.025 -1.224 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.330 -6.874 0.094 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.622 -5.225 -1.106 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.456 -6.086 -2.623 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.849 -7.627 -3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.197 -8.199 -2.203 1.00 0.00 H new ATOM 246 N VAL A 20 2.174 -5.463 0.270 1.00 0.00 N ATOM 247 CA VAL A 20 3.209 -5.408 1.288 1.00 0.00 C ATOM 248 C VAL A 20 2.593 -4.958 2.614 1.00 0.00 C ATOM 249 O VAL A 20 1.777 -4.038 2.643 1.00 0.00 O ATOM 250 CB VAL A 20 4.352 -4.503 0.823 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.837 -4.905 -0.572 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.934 -3.031 0.855 1.00 0.00 C ATOM 0 H VAL A 20 1.542 -4.663 0.261 1.00 0.00 H new ATOM 0 HA VAL A 20 3.638 -6.397 1.449 1.00 0.00 H new ATOM 0 HB VAL A 20 5.183 -4.630 1.516 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.649 -4.246 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.193 -5.935 -0.551 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.014 -4.821 -1.282 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.764 -2.410 0.520 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.079 -2.881 0.195 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.660 -2.753 1.873 1.00 0.00 H new ATOM 262 N GLU A 21 3.006 -5.629 3.679 1.00 0.00 N ATOM 263 CA GLU A 21 2.504 -5.310 5.005 1.00 0.00 C ATOM 264 C GLU A 21 3.431 -4.307 5.696 1.00 0.00 C ATOM 265 O GLU A 21 4.604 -4.597 5.926 1.00 0.00 O ATOM 266 CB GLU A 21 2.340 -6.576 5.848 1.00 0.00 C ATOM 267 CG GLU A 21 1.731 -6.250 7.213 1.00 0.00 C ATOM 268 CD GLU A 21 1.433 -7.528 8.000 1.00 0.00 C ATOM 269 OE1 GLU A 21 0.491 -8.240 7.589 1.00 0.00 O ATOM 270 OE2 GLU A 21 2.154 -7.765 8.993 1.00 0.00 O ATOM 0 H GLU A 21 3.682 -6.392 3.651 1.00 0.00 H new ATOM 0 HA GLU A 21 1.520 -4.853 4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.703 -7.287 5.322 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.310 -7.055 5.983 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.417 -5.621 7.780 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.812 -5.679 7.078 1.00 0.00 H new ATOM 277 N ILE A 22 2.869 -3.149 6.008 1.00 0.00 N ATOM 278 CA ILE A 22 3.630 -2.101 6.668 1.00 0.00 C ATOM 279 C ILE A 22 4.031 -2.573 8.067 1.00 0.00 C ATOM 280 O ILE A 22 3.188 -2.671 8.958 1.00 0.00 O ATOM 281 CB ILE A 22 2.848 -0.786 6.662 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.393 -0.425 5.247 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.662 0.338 7.307 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.589 -0.306 4.300 1.00 0.00 C ATOM 0 H ILE A 22 1.895 -2.913 5.816 1.00 0.00 H new ATOM 0 HA ILE A 22 4.552 -1.898 6.123 1.00 0.00 H new ATOM 0 HB ILE A 22 1.949 -0.920 7.264 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.706 -1.186 4.877 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.845 0.517 5.267 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.084 1.262 7.290 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.894 0.074 8.339 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.589 0.480 6.752 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.238 -0.049 3.301 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.262 0.472 4.660 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.121 -1.257 4.264 1.00 0.00 H new ATOM 296 N THR A 23 5.317 -2.852 8.217 1.00 0.00 N ATOM 297 CA THR A 23 5.839 -3.311 9.493 1.00 0.00 C ATOM 298 C THR A 23 5.700 -2.216 10.552 1.00 0.00 C ATOM 299 O THR A 23 5.448 -2.505 11.720 1.00 0.00 O ATOM 300 CB THR A 23 7.284 -3.766 9.276 1.00 0.00 C ATOM 301 OG1 THR A 23 7.993 -2.558 9.016 1.00 0.00 O ATOM 302 CG2 THR A 23 7.455 -4.582 7.993 1.00 0.00 C ATOM 0 H THR A 23 6.013 -2.769 7.476 1.00 0.00 H new ATOM 0 HA THR A 23 5.268 -4.159 9.871 1.00 0.00 H new ATOM 0 HB THR A 23 7.609 -4.360 10.130 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.940 -2.760 8.865 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.498 -4.880 7.887 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.827 -5.472 8.041 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.162 -3.977 7.135 1.00 0.00 H new ATOM 310 N LYS A 24 5.869 -0.980 10.104 1.00 0.00 N ATOM 311 CA LYS A 24 5.764 0.160 10.999 1.00 0.00 C ATOM 312 C LYS A 24 5.106 1.326 10.257 1.00 0.00 C ATOM 313 O LYS A 24 5.266 1.465 9.046 1.00 0.00 O ATOM 314 CB LYS A 24 7.132 0.503 11.592 1.00 0.00 C ATOM 315 CG LYS A 24 8.111 0.936 10.499 1.00 0.00 C ATOM 316 CD LYS A 24 9.538 0.499 10.835 1.00 0.00 C ATOM 317 CE LYS A 24 10.505 0.871 9.710 1.00 0.00 C ATOM 318 NZ LYS A 24 11.695 1.562 10.256 1.00 0.00 N ATOM 0 H LYS A 24 6.078 -0.744 9.134 1.00 0.00 H new ATOM 0 HA LYS A 24 5.125 -0.080 11.849 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.024 1.302 12.326 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.531 -0.363 12.120 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.810 0.504 9.545 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.077 2.019 10.384 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.857 0.971 11.764 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.563 -0.578 10.999 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.813 -0.027 9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.002 1.515 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.341 1.807 9.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.398 2.430 10.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.183 0.935 10.927 1.00 0.00 H new ATOM 332 N ALA A 25 4.380 2.134 11.016 1.00 0.00 N ATOM 333 CA ALA A 25 3.698 3.283 10.446 1.00 0.00 C ATOM 334 C ALA A 25 4.662 4.044 9.535 1.00 0.00 C ATOM 335 O ALA A 25 5.879 3.927 9.678 1.00 0.00 O ATOM 336 CB ALA A 25 3.146 4.159 11.573 1.00 0.00 C ATOM 0 H ALA A 25 4.249 2.015 12.021 1.00 0.00 H new ATOM 0 HA ALA A 25 2.853 2.964 9.836 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.634 5.021 11.146 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.443 3.580 12.173 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.967 4.500 12.204 1.00 0.00 H new ATOM 342 N PHE A 26 4.084 4.806 8.619 1.00 0.00 N ATOM 343 CA PHE A 26 4.877 5.586 7.684 1.00 0.00 C ATOM 344 C PHE A 26 4.246 6.958 7.441 1.00 0.00 C ATOM 345 O PHE A 26 3.494 7.139 6.484 1.00 0.00 O ATOM 346 CB PHE A 26 4.906 4.810 6.366 1.00 0.00 C ATOM 347 CG PHE A 26 5.161 5.683 5.136 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.295 6.430 5.054 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.253 5.713 4.123 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.531 7.240 3.912 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.489 6.523 2.981 1.00 0.00 C ATOM 352 CZ PHE A 26 5.623 7.270 2.900 1.00 0.00 C ATOM 0 H PHE A 26 3.075 4.900 8.504 1.00 0.00 H new ATOM 0 HA PHE A 26 5.878 5.743 8.086 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.681 4.045 6.423 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.955 4.292 6.240 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.016 6.407 5.858 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.352 5.120 4.188 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.432 7.832 3.847 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.768 6.546 2.177 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.802 7.887 2.032 1.00 0.00 H new ATOM 362 N PHE A 27 4.575 7.890 8.324 1.00 0.00 N ATOM 363 CA PHE A 27 4.049 9.240 8.217 1.00 0.00 C ATOM 364 C PHE A 27 4.469 9.889 6.896 1.00 0.00 C ATOM 365 O PHE A 27 5.646 10.180 6.690 1.00 0.00 O ATOM 366 CB PHE A 27 4.642 10.044 9.377 1.00 0.00 C ATOM 367 CG PHE A 27 4.174 9.580 10.758 1.00 0.00 C ATOM 368 CD1 PHE A 27 3.004 10.046 11.272 1.00 0.00 C ATOM 369 CD2 PHE A 27 4.929 8.702 11.472 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.571 9.615 12.553 1.00 0.00 C ATOM 371 CE2 PHE A 27 4.495 8.272 12.754 1.00 0.00 C ATOM 372 CZ PHE A 27 3.325 8.738 13.267 1.00 0.00 C ATOM 0 H PHE A 27 5.199 7.737 9.116 1.00 0.00 H new ATOM 0 HA PHE A 27 2.960 9.219 8.251 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.729 9.979 9.332 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.380 11.094 9.249 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.405 10.744 10.706 1.00 0.00 H new ATOM 0 HD2 PHE A 27 5.858 8.332 11.064 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.642 9.984 12.961 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.094 7.575 13.321 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.995 8.411 14.242 1.00 0.00 H new ATOM 382 N ALA A 28 3.482 10.097 6.037 1.00 0.00 N ATOM 383 CA ALA A 28 3.734 10.706 4.742 1.00 0.00 C ATOM 384 C ALA A 28 4.174 12.157 4.942 1.00 0.00 C ATOM 385 O ALA A 28 3.552 12.899 5.702 1.00 0.00 O ATOM 386 CB ALA A 28 2.481 10.591 3.871 1.00 0.00 C ATOM 0 H ALA A 28 2.507 9.855 6.212 1.00 0.00 H new ATOM 0 HA ALA A 28 4.540 10.186 4.224 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.670 11.048 2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.228 9.540 3.735 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.651 11.104 4.358 1.00 0.00 H new ATOM 392 N LYS A 29 5.242 12.519 4.248 1.00 0.00 N ATOM 393 CA LYS A 29 5.773 13.869 4.340 1.00 0.00 C ATOM 394 C LYS A 29 5.511 14.606 3.025 1.00 0.00 C ATOM 395 O LYS A 29 5.352 15.826 3.014 1.00 0.00 O ATOM 396 CB LYS A 29 7.248 13.838 4.745 1.00 0.00 C ATOM 397 CG LYS A 29 8.124 13.356 3.586 1.00 0.00 C ATOM 398 CD LYS A 29 8.636 11.937 3.840 1.00 0.00 C ATOM 399 CE LYS A 29 10.110 11.951 4.250 1.00 0.00 C ATOM 400 NZ LYS A 29 10.247 11.709 5.704 1.00 0.00 N ATOM 0 H LYS A 29 5.755 11.901 3.619 1.00 0.00 H new ATOM 0 HA LYS A 29 5.263 14.427 5.125 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.565 14.834 5.056 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.380 13.179 5.604 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.552 13.380 2.659 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.968 14.034 3.457 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.041 11.467 4.623 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.511 11.335 2.940 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.655 11.187 3.695 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.556 12.911 3.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.254 11.722 5.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.744 12.453 6.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.840 10.782 5.942 1.00 0.00 H new ATOM 414 N GLN A 30 5.474 13.835 1.949 1.00 0.00 N ATOM 415 CA GLN A 30 5.234 14.400 0.631 1.00 0.00 C ATOM 416 C GLN A 30 3.734 14.432 0.333 1.00 0.00 C ATOM 417 O GLN A 30 2.926 13.985 1.146 1.00 0.00 O ATOM 418 CB GLN A 30 5.990 13.620 -0.446 1.00 0.00 C ATOM 419 CG GLN A 30 7.335 14.279 -0.758 1.00 0.00 C ATOM 420 CD GLN A 30 7.565 14.369 -2.268 1.00 0.00 C ATOM 421 OE1 GLN A 30 8.459 13.753 -2.823 1.00 0.00 O ATOM 422 NE2 GLN A 30 6.709 15.169 -2.899 1.00 0.00 N ATOM 0 H GLN A 30 5.606 12.824 1.962 1.00 0.00 H new ATOM 0 HA GLN A 30 5.609 15.424 0.622 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.152 12.595 -0.112 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.387 13.568 -1.353 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.364 15.278 -0.322 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.140 13.706 -0.298 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.983 15.656 -2.373 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.779 15.296 -3.909 1.00 0.00 H new ATOM 431 N ALA A 31 3.406 14.966 -0.835 1.00 0.00 N ATOM 432 CA ALA A 31 2.017 15.063 -1.250 1.00 0.00 C ATOM 433 C ALA A 31 1.637 13.807 -2.038 1.00 0.00 C ATOM 434 O ALA A 31 0.477 13.632 -2.410 1.00 0.00 O ATOM 435 CB ALA A 31 1.815 16.344 -2.062 1.00 0.00 C ATOM 0 H ALA A 31 4.079 15.336 -1.507 1.00 0.00 H new ATOM 0 HA ALA A 31 1.360 15.120 -0.382 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.773 16.417 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 31 2.072 17.208 -1.449 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.456 16.321 -2.943 1.00 0.00 H new ATOM 441 N ASP A 32 2.634 12.967 -2.268 1.00 0.00 N ATOM 442 CA ASP A 32 2.419 11.733 -3.005 1.00 0.00 C ATOM 443 C ASP A 32 2.474 10.550 -2.036 1.00 0.00 C ATOM 444 O ASP A 32 2.054 9.445 -2.376 1.00 0.00 O ATOM 445 CB ASP A 32 3.503 11.528 -4.065 1.00 0.00 C ATOM 446 CG ASP A 32 2.987 11.399 -5.500 1.00 0.00 C ATOM 447 OD1 ASP A 32 1.749 11.438 -5.664 1.00 0.00 O ATOM 448 OD2 ASP A 32 3.844 11.264 -6.400 1.00 0.00 O ATOM 0 H ASP A 32 3.594 13.116 -1.957 1.00 0.00 H new ATOM 0 HA ASP A 32 1.446 11.796 -3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.199 12.366 -4.019 1.00 0.00 H new ATOM 0 HB3 ASP A 32 4.069 10.630 -3.816 1.00 0.00 H new ATOM 453 N GLU A 33 2.997 10.822 -0.850 1.00 0.00 N ATOM 454 CA GLU A 33 3.113 9.793 0.170 1.00 0.00 C ATOM 455 C GLU A 33 1.778 9.614 0.898 1.00 0.00 C ATOM 456 O GLU A 33 0.917 10.491 0.847 1.00 0.00 O ATOM 457 CB GLU A 33 4.235 10.123 1.156 1.00 0.00 C ATOM 458 CG GLU A 33 5.605 10.009 0.486 1.00 0.00 C ATOM 459 CD GLU A 33 6.689 10.676 1.336 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.304 11.421 2.263 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.877 10.425 1.039 1.00 0.00 O ATOM 0 H GLU A 33 3.345 11.740 -0.572 1.00 0.00 H new ATOM 0 HA GLU A 33 3.368 8.852 -0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.098 11.133 1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.186 9.446 2.008 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.853 8.959 0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.572 10.475 -0.499 1.00 0.00 H new ATOM 468 N VAL A 34 1.649 8.473 1.558 1.00 0.00 N ATOM 469 CA VAL A 34 0.435 8.167 2.295 1.00 0.00 C ATOM 470 C VAL A 34 0.805 7.597 3.666 1.00 0.00 C ATOM 471 O VAL A 34 1.743 6.810 3.782 1.00 0.00 O ATOM 472 CB VAL A 34 -0.452 7.227 1.476 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.357 6.049 0.929 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.643 6.738 2.302 1.00 0.00 C ATOM 0 H VAL A 34 2.366 7.748 1.598 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.146 9.073 2.466 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.842 7.789 0.627 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.297 5.396 0.351 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.156 6.422 0.288 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.789 5.488 1.758 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.257 6.072 1.696 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.282 6.201 3.179 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.240 7.592 2.620 1.00 0.00 H new ATOM 484 N THR A 35 0.048 8.017 4.669 1.00 0.00 N ATOM 485 CA THR A 35 0.285 7.559 6.027 1.00 0.00 C ATOM 486 C THR A 35 -0.187 6.113 6.192 1.00 0.00 C ATOM 487 O THR A 35 -1.281 5.760 5.754 1.00 0.00 O ATOM 488 CB THR A 35 -0.404 8.535 6.983 1.00 0.00 C ATOM 489 OG1 THR A 35 0.141 9.805 6.634 1.00 0.00 O ATOM 490 CG2 THR A 35 0.026 8.332 8.437 1.00 0.00 C ATOM 0 H THR A 35 -0.730 8.669 4.568 1.00 0.00 H new ATOM 0 HA THR A 35 1.350 7.550 6.261 1.00 0.00 H new ATOM 0 HB THR A 35 -1.485 8.418 6.905 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.253 10.498 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.492 9.050 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.225 7.319 8.753 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.102 8.482 8.522 1.00 0.00 H new ATOM 498 N LEU A 36 0.661 5.315 6.824 1.00 0.00 N ATOM 499 CA LEU A 36 0.344 3.916 7.052 1.00 0.00 C ATOM 500 C LEU A 36 0.567 3.580 8.528 1.00 0.00 C ATOM 501 O LEU A 36 1.266 4.305 9.234 1.00 0.00 O ATOM 502 CB LEU A 36 1.135 3.024 6.092 1.00 0.00 C ATOM 503 CG LEU A 36 1.267 3.535 4.656 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.440 2.863 3.940 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.047 3.363 3.891 1.00 0.00 C ATOM 0 H LEU A 36 1.568 5.611 7.185 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.707 3.724 6.837 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.136 2.883 6.500 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.661 2.043 6.065 1.00 0.00 H new ATOM 0 HG LEU A 36 1.482 4.603 4.691 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.511 3.244 2.921 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.365 3.080 4.474 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.281 1.785 3.914 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.073 3.734 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.316 2.307 3.863 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.835 3.925 4.391 1.00 0.00 H new ATOM 517 N GLN A 37 -0.041 2.481 8.950 1.00 0.00 N ATOM 518 CA GLN A 37 0.082 2.041 10.330 1.00 0.00 C ATOM 519 C GLN A 37 0.847 0.718 10.398 1.00 0.00 C ATOM 520 O GLN A 37 1.198 0.145 9.367 1.00 0.00 O ATOM 521 CB GLN A 37 -1.292 1.915 10.990 1.00 0.00 C ATOM 522 CG GLN A 37 -1.913 3.292 11.231 1.00 0.00 C ATOM 523 CD GLN A 37 -1.093 4.094 12.243 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.941 3.720 13.394 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.574 5.215 11.750 1.00 0.00 N ATOM 0 H GLN A 37 -0.620 1.882 8.361 1.00 0.00 H new ATOM 0 HA GLN A 37 0.645 2.793 10.882 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.951 1.321 10.356 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.197 1.384 11.937 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.971 3.839 10.290 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.934 3.176 11.595 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.741 5.469 10.776 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.009 5.821 12.346 1.00 0.00 H new ATOM 534 N GLN A 38 1.084 0.271 11.623 1.00 0.00 N ATOM 535 CA GLN A 38 1.801 -0.974 11.839 1.00 0.00 C ATOM 536 C GLN A 38 0.911 -2.168 11.486 1.00 0.00 C ATOM 537 O GLN A 38 -0.209 -2.280 11.983 1.00 0.00 O ATOM 538 CB GLN A 38 2.305 -1.073 13.280 1.00 0.00 C ATOM 539 CG GLN A 38 2.989 -2.419 13.531 1.00 0.00 C ATOM 540 CD GLN A 38 2.268 -3.206 14.627 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.069 -3.089 14.824 1.00 0.00 O ATOM 542 NE2 GLN A 38 3.061 -4.011 15.326 1.00 0.00 N ATOM 0 H GLN A 38 0.792 0.749 12.476 1.00 0.00 H new ATOM 0 HA GLN A 38 2.671 -0.988 11.182 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.005 -0.262 13.480 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.470 -0.951 13.970 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.002 -3.001 12.610 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.027 -2.255 13.820 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.056 -4.061 15.109 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.674 -4.579 16.080 1.00 0.00 H new ATOM 551 N ALA A 39 1.443 -3.029 10.631 1.00 0.00 N ATOM 552 CA ALA A 39 0.710 -4.210 10.206 1.00 0.00 C ATOM 553 C ALA A 39 -0.428 -3.790 9.273 1.00 0.00 C ATOM 554 O ALA A 39 -1.560 -4.246 9.426 1.00 0.00 O ATOM 555 CB ALA A 39 0.207 -4.969 11.435 1.00 0.00 C ATOM 0 H ALA A 39 2.372 -2.933 10.221 1.00 0.00 H new ATOM 0 HA ALA A 39 1.360 -4.886 9.650 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.343 -5.855 11.116 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.056 -5.270 12.049 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.451 -4.324 12.017 1.00 0.00 H new ATOM 561 N ASP A 40 -0.088 -2.927 8.328 1.00 0.00 N ATOM 562 CA ASP A 40 -1.067 -2.441 7.371 1.00 0.00 C ATOM 563 C ASP A 40 -0.732 -2.989 5.982 1.00 0.00 C ATOM 564 O ASP A 40 0.422 -2.954 5.559 1.00 0.00 O ATOM 565 CB ASP A 40 -1.051 -0.913 7.293 1.00 0.00 C ATOM 566 CG ASP A 40 -1.686 -0.198 8.487 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.503 -0.704 9.615 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.341 0.838 8.244 1.00 0.00 O ATOM 0 H ASP A 40 0.852 -2.551 8.204 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.052 -2.775 7.698 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.018 -0.580 7.197 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.571 -0.605 6.386 1.00 0.00 H new ATOM 573 N VAL A 41 -1.763 -3.483 5.311 1.00 0.00 N ATOM 574 CA VAL A 41 -1.592 -4.037 3.979 1.00 0.00 C ATOM 575 C VAL A 41 -1.873 -2.950 2.939 1.00 0.00 C ATOM 576 O VAL A 41 -2.804 -2.162 3.096 1.00 0.00 O ATOM 577 CB VAL A 41 -2.479 -5.272 3.808 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.314 -5.877 2.413 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.189 -6.310 4.894 1.00 0.00 C ATOM 0 H VAL A 41 -2.719 -3.511 5.665 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.564 -4.369 3.832 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.517 -4.956 3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.955 -6.753 2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.594 -5.139 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.275 -6.170 2.264 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.833 -7.178 4.749 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.145 -6.618 4.833 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.382 -5.874 5.874 1.00 0.00 H new ATOM 589 N VAL A 42 -1.051 -2.943 1.900 1.00 0.00 N ATOM 590 CA VAL A 42 -1.199 -1.966 0.835 1.00 0.00 C ATOM 591 C VAL A 42 -1.056 -2.667 -0.518 1.00 0.00 C ATOM 592 O VAL A 42 -0.124 -3.445 -0.722 1.00 0.00 O ATOM 593 CB VAL A 42 -0.197 -0.826 1.027 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.132 0.062 -0.217 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.535 -0.003 2.271 1.00 0.00 C ATOM 0 H VAL A 42 -0.280 -3.599 1.773 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.191 -1.516 0.865 1.00 0.00 H new ATOM 0 HB VAL A 42 0.788 -1.268 1.175 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.588 0.864 -0.054 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.178 -0.535 -1.074 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.116 0.490 -0.410 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.193 0.801 2.384 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.533 0.423 2.165 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.506 -0.645 3.151 1.00 0.00 H new ATOM 605 N LEU A 43 -1.992 -2.367 -1.406 1.00 0.00 N ATOM 606 CA LEU A 43 -1.981 -2.959 -2.733 1.00 0.00 C ATOM 607 C LEU A 43 -1.107 -2.110 -3.658 1.00 0.00 C ATOM 608 O LEU A 43 -1.475 -0.991 -4.013 1.00 0.00 O ATOM 609 CB LEU A 43 -3.410 -3.153 -3.245 1.00 0.00 C ATOM 610 CG LEU A 43 -3.557 -3.969 -4.531 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.665 -5.463 -4.222 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.737 -3.468 -5.366 1.00 0.00 C ATOM 0 H LEU A 43 -2.763 -1.722 -1.233 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.540 -3.955 -2.702 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -3.993 -3.638 -2.462 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.852 -2.170 -3.409 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.657 -3.829 -5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.769 -6.021 -5.153 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.767 -5.792 -3.700 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.537 -5.642 -3.593 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.819 -4.065 -6.274 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.656 -3.559 -4.788 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.577 -2.423 -5.632 1.00 0.00 H new ATOM 624 N VAL A 44 0.035 -2.674 -4.023 1.00 0.00 N ATOM 625 CA VAL A 44 0.965 -1.983 -4.900 1.00 0.00 C ATOM 626 C VAL A 44 0.277 -1.688 -6.234 1.00 0.00 C ATOM 627 O VAL A 44 -0.456 -2.525 -6.758 1.00 0.00 O ATOM 628 CB VAL A 44 2.246 -2.805 -5.056 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.184 -2.168 -6.084 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.950 -2.985 -3.710 1.00 0.00 C ATOM 0 H VAL A 44 0.337 -3.602 -3.727 1.00 0.00 H new ATOM 0 HA VAL A 44 1.260 -1.027 -4.468 1.00 0.00 H new ATOM 0 HB VAL A 44 1.967 -3.793 -5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.087 -2.772 -6.176 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.683 -2.115 -7.050 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.451 -1.163 -5.759 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.857 -3.573 -3.850 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.210 -2.008 -3.302 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.285 -3.502 -3.018 1.00 0.00 H new ATOM 640 N LEU A 45 0.539 -0.494 -6.747 1.00 0.00 N ATOM 641 CA LEU A 45 -0.046 -0.078 -8.011 1.00 0.00 C ATOM 642 C LEU A 45 1.072 0.245 -9.003 1.00 0.00 C ATOM 643 O LEU A 45 0.981 -0.101 -10.180 1.00 0.00 O ATOM 644 CB LEU A 45 -1.028 1.075 -7.793 1.00 0.00 C ATOM 645 CG LEU A 45 -2.352 0.711 -7.118 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.935 1.912 -6.372 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.341 0.129 -8.130 1.00 0.00 C ATOM 0 H LEU A 45 1.148 0.198 -6.310 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.633 -0.888 -8.445 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.534 1.838 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.248 1.526 -8.761 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.156 -0.064 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.876 1.626 -5.901 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.232 2.241 -5.607 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.114 2.725 -7.075 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.274 -0.121 -7.625 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.537 0.864 -8.911 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.918 -0.771 -8.577 1.00 0.00 H new ATOM 659 N GLN A 46 2.102 0.904 -8.492 1.00 0.00 N ATOM 660 CA GLN A 46 3.236 1.278 -9.319 1.00 0.00 C ATOM 661 C GLN A 46 4.543 1.075 -8.550 1.00 0.00 C ATOM 662 O GLN A 46 4.776 1.725 -7.532 1.00 0.00 O ATOM 663 CB GLN A 46 3.106 2.721 -9.808 1.00 0.00 C ATOM 664 CG GLN A 46 2.708 2.766 -11.285 1.00 0.00 C ATOM 665 CD GLN A 46 1.729 3.910 -11.555 1.00 0.00 C ATOM 666 OE1 GLN A 46 2.110 5.041 -11.809 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.449 3.555 -11.485 1.00 0.00 N ATOM 0 H GLN A 46 2.174 1.188 -7.515 1.00 0.00 H new ATOM 0 HA GLN A 46 3.249 0.632 -10.197 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.360 3.245 -9.211 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.052 3.243 -9.667 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.598 2.891 -11.901 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.253 1.818 -11.572 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.198 2.590 -11.268 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.282 4.247 -11.649 1.00 0.00 H new ATOM 676 N GLN A 47 5.362 0.170 -9.066 1.00 0.00 N ATOM 677 CA GLN A 47 6.640 -0.126 -8.440 1.00 0.00 C ATOM 678 C GLN A 47 7.747 0.723 -9.067 1.00 0.00 C ATOM 679 O GLN A 47 8.070 0.559 -10.242 1.00 0.00 O ATOM 680 CB GLN A 47 6.968 -1.617 -8.543 1.00 0.00 C ATOM 681 CG GLN A 47 6.411 -2.385 -7.342 1.00 0.00 C ATOM 682 CD GLN A 47 6.891 -3.838 -7.350 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.133 -4.768 -7.568 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.189 -3.979 -7.100 1.00 0.00 N ATOM 0 H GLN A 47 5.166 -0.368 -9.910 1.00 0.00 H new ATOM 0 HA GLN A 47 6.571 0.125 -7.382 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.550 -2.022 -9.464 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.048 -1.753 -8.597 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.725 -1.900 -6.418 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.322 -2.358 -7.362 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.767 -3.157 -6.926 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.607 -4.909 -7.082 1.00 0.00 H new ATOM 693 N GLU A 48 8.299 1.612 -8.254 1.00 0.00 N ATOM 694 CA GLU A 48 9.364 2.488 -8.714 1.00 0.00 C ATOM 695 C GLU A 48 10.613 2.302 -7.851 1.00 0.00 C ATOM 696 O GLU A 48 10.597 2.595 -6.657 1.00 0.00 O ATOM 697 CB GLU A 48 8.910 3.949 -8.715 1.00 0.00 C ATOM 698 CG GLU A 48 9.870 4.820 -9.527 1.00 0.00 C ATOM 699 CD GLU A 48 10.049 6.193 -8.875 1.00 0.00 C ATOM 700 OE1 GLU A 48 10.767 6.246 -7.853 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.465 7.158 -9.414 1.00 0.00 O ATOM 0 H GLU A 48 8.029 1.745 -7.279 1.00 0.00 H new ATOM 0 HA GLU A 48 9.612 2.219 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.906 4.021 -9.133 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.857 4.318 -7.691 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.837 4.323 -9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.488 4.942 -10.540 1.00 0.00 H new ATOM 708 N ASP A 49 11.668 1.816 -8.490 1.00 0.00 N ATOM 709 CA ASP A 49 12.923 1.587 -7.796 1.00 0.00 C ATOM 710 C ASP A 49 13.172 2.732 -6.811 1.00 0.00 C ATOM 711 O ASP A 49 13.582 3.821 -7.211 1.00 0.00 O ATOM 712 CB ASP A 49 14.096 1.545 -8.778 1.00 0.00 C ATOM 713 CG ASP A 49 14.494 0.145 -9.250 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.518 -0.759 -8.387 1.00 0.00 O ATOM 715 OD2 ASP A 49 14.764 0.011 -10.463 1.00 0.00 O ATOM 0 H ASP A 49 11.679 1.575 -9.481 1.00 0.00 H new ATOM 0 HA ASP A 49 12.852 0.631 -7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.842 2.148 -9.650 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.961 2.013 -8.308 1.00 0.00 H new ATOM 720 N GLY A 50 12.915 2.446 -5.543 1.00 0.00 N ATOM 721 CA GLY A 50 13.106 3.438 -4.499 1.00 0.00 C ATOM 722 C GLY A 50 11.822 3.638 -3.692 1.00 0.00 C ATOM 723 O GLY A 50 11.857 3.677 -2.463 1.00 0.00 O ATOM 0 H GLY A 50 12.576 1.541 -5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.911 3.123 -3.836 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.412 4.385 -4.944 1.00 0.00 H new ATOM 727 N TRP A 51 10.719 3.760 -4.415 1.00 0.00 N ATOM 728 CA TRP A 51 9.426 3.955 -3.782 1.00 0.00 C ATOM 729 C TRP A 51 8.425 3.008 -4.447 1.00 0.00 C ATOM 730 O TRP A 51 8.457 2.818 -5.662 1.00 0.00 O ATOM 731 CB TRP A 51 8.997 5.422 -3.852 1.00 0.00 C ATOM 732 CG TRP A 51 9.821 6.355 -2.963 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.043 6.852 -3.197 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.430 6.886 -1.679 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.467 7.661 -2.162 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.455 7.682 -1.210 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.250 6.699 -0.938 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.404 8.355 0.017 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.214 7.378 0.286 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.237 8.184 0.772 1.00 0.00 C ATOM 0 H TRP A 51 10.694 3.728 -5.434 1.00 0.00 H new ATOM 0 HA TRP A 51 9.478 3.717 -2.720 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.071 5.762 -4.885 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.948 5.497 -3.566 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.623 6.646 -4.084 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.359 8.153 -2.106 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.436 6.081 -1.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.220 8.972 0.362 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.329 7.268 0.895 1.00 0.00 H new ATOM 0 HH2 TRP A 51 9.132 8.676 1.728 1.00 0.00 H new ATOM 751 N LEU A 52 7.561 2.437 -3.621 1.00 0.00 N ATOM 752 CA LEU A 52 6.553 1.514 -4.114 1.00 0.00 C ATOM 753 C LEU A 52 5.164 2.118 -3.896 1.00 0.00 C ATOM 754 O LEU A 52 4.743 2.321 -2.758 1.00 0.00 O ATOM 755 CB LEU A 52 6.731 0.135 -3.475 1.00 0.00 C ATOM 756 CG LEU A 52 8.173 -0.353 -3.325 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.832 -0.547 -4.692 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.980 0.588 -2.428 1.00 0.00 C ATOM 0 H LEU A 52 7.538 2.596 -2.614 1.00 0.00 H new ATOM 0 HA LEU A 52 6.669 1.360 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.269 0.152 -2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.182 -0.594 -4.071 1.00 0.00 H new ATOM 0 HG LEU A 52 8.154 -1.327 -2.836 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.856 -0.894 -4.556 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.271 -1.286 -5.265 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.839 0.401 -5.231 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.001 0.218 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.993 1.586 -2.866 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.521 0.631 -1.440 1.00 0.00 H new ATOM 770 N TYR A 53 4.490 2.387 -5.004 1.00 0.00 N ATOM 771 CA TYR A 53 3.158 2.963 -4.949 1.00 0.00 C ATOM 772 C TYR A 53 2.092 1.871 -4.844 1.00 0.00 C ATOM 773 O TYR A 53 2.221 0.811 -5.455 1.00 0.00 O ATOM 774 CB TYR A 53 2.969 3.718 -6.266 1.00 0.00 C ATOM 775 CG TYR A 53 1.709 4.585 -6.312 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.613 5.705 -5.512 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.669 4.247 -7.154 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.427 6.521 -5.555 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.516 5.063 -7.197 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.579 6.160 -6.395 1.00 0.00 C ATOM 781 OH TYR A 53 -1.699 6.930 -6.436 1.00 0.00 O ATOM 0 H TYR A 53 4.842 2.216 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 53 3.056 3.610 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.839 4.351 -6.438 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.932 2.998 -7.083 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.427 5.970 -4.854 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.744 3.370 -7.780 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.339 7.400 -4.934 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.337 4.810 -7.852 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.332 6.552 -7.081 1.00 0.00 H new ATOM 791 N GLY A 54 1.062 2.166 -4.063 1.00 0.00 N ATOM 792 CA GLY A 54 -0.026 1.222 -3.870 1.00 0.00 C ATOM 793 C GLY A 54 -1.253 1.914 -3.273 1.00 0.00 C ATOM 794 O GLY A 54 -1.298 3.140 -3.187 1.00 0.00 O ATOM 0 H GLY A 54 0.958 3.045 -3.557 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.290 0.766 -4.824 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.299 0.417 -3.211 1.00 0.00 H new ATOM 798 N GLU A 55 -2.218 1.098 -2.877 1.00 0.00 N ATOM 799 CA GLU A 55 -3.442 1.616 -2.290 1.00 0.00 C ATOM 800 C GLU A 55 -3.740 0.905 -0.968 1.00 0.00 C ATOM 801 O GLU A 55 -3.756 -0.323 -0.910 1.00 0.00 O ATOM 802 CB GLU A 55 -4.616 1.480 -3.262 1.00 0.00 C ATOM 803 CG GLU A 55 -5.911 2.000 -2.634 1.00 0.00 C ATOM 804 CD GLU A 55 -6.901 0.858 -2.394 1.00 0.00 C ATOM 805 OE1 GLU A 55 -6.537 -0.056 -1.623 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.999 0.925 -2.987 1.00 0.00 O ATOM 0 H GLU A 55 -2.177 0.082 -2.951 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.303 2.678 -2.085 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.402 2.035 -4.176 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.739 0.435 -3.545 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.688 2.497 -1.690 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.362 2.746 -3.288 1.00 0.00 H new ATOM 813 N ARG A 56 -3.967 1.709 0.061 1.00 0.00 N ATOM 814 CA ARG A 56 -4.263 1.172 1.378 1.00 0.00 C ATOM 815 C ARG A 56 -5.638 0.502 1.382 1.00 0.00 C ATOM 816 O ARG A 56 -6.655 1.163 1.175 1.00 0.00 O ATOM 817 CB ARG A 56 -4.237 2.273 2.440 1.00 0.00 C ATOM 818 CG ARG A 56 -3.928 1.695 3.822 1.00 0.00 C ATOM 819 CD ARG A 56 -3.382 2.774 4.759 1.00 0.00 C ATOM 820 NE ARG A 56 -4.188 4.009 4.632 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.202 4.994 5.541 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.455 4.894 6.649 1.00 0.00 N ATOM 823 NH2 ARG A 56 -4.964 6.078 5.342 1.00 0.00 N ATOM 0 H ARG A 56 -3.952 2.728 0.009 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.496 0.435 1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.486 3.018 2.178 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.199 2.784 2.463 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.832 1.261 4.249 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.201 0.888 3.728 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.406 2.419 5.789 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.340 2.983 4.518 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.769 4.117 3.801 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.876 4.068 6.801 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.466 5.644 7.341 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.533 6.153 4.499 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.975 6.828 6.034 1.00 0.00 H new ATOM 837 N LEU A 57 -5.626 -0.801 1.619 1.00 0.00 N ATOM 838 CA LEU A 57 -6.860 -1.568 1.652 1.00 0.00 C ATOM 839 C LEU A 57 -7.705 -1.114 2.844 1.00 0.00 C ATOM 840 O LEU A 57 -8.878 -1.471 2.949 1.00 0.00 O ATOM 841 CB LEU A 57 -6.559 -3.068 1.648 1.00 0.00 C ATOM 842 CG LEU A 57 -5.961 -3.628 0.355 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.743 -3.141 -0.866 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.471 -3.298 0.252 1.00 0.00 C ATOM 0 H LEU A 57 -4.781 -1.346 1.790 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.448 -1.382 0.753 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -5.871 -3.283 2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.484 -3.605 1.860 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.048 -4.714 0.380 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.298 -3.553 -1.771 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.779 -3.470 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.710 -2.052 -0.909 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.071 -3.707 -0.676 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.337 -2.216 0.259 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -3.942 -3.735 1.099 1.00 0.00 H new ATOM 856 N ARG A 58 -7.077 -0.334 3.712 1.00 0.00 N ATOM 857 CA ARG A 58 -7.757 0.172 4.891 1.00 0.00 C ATOM 858 C ARG A 58 -8.930 1.067 4.485 1.00 0.00 C ATOM 859 O ARG A 58 -10.086 0.734 4.741 1.00 0.00 O ATOM 860 CB ARG A 58 -6.799 0.970 5.779 1.00 0.00 C ATOM 861 CG ARG A 58 -7.481 1.389 7.083 1.00 0.00 C ATOM 862 CD ARG A 58 -6.508 2.140 7.994 1.00 0.00 C ATOM 863 NE ARG A 58 -7.212 3.242 8.687 1.00 0.00 N ATOM 864 CZ ARG A 58 -8.023 3.071 9.739 1.00 0.00 C ATOM 865 NH1 ARG A 58 -8.238 1.841 10.227 1.00 0.00 N ATOM 866 NH2 ARG A 58 -8.620 4.129 10.305 1.00 0.00 N ATOM 0 H ARG A 58 -6.104 -0.040 3.622 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.128 -0.685 5.453 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.918 0.368 6.002 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.454 1.855 5.244 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -8.340 2.023 6.861 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.861 0.507 7.599 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.079 1.455 8.725 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.681 2.538 7.407 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.071 4.191 8.342 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.784 1.035 9.797 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.856 1.711 11.028 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.457 5.065 9.935 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -9.238 3.998 11.106 1.00 0.00 H new ATOM 880 N ASP A 59 -8.591 2.185 3.860 1.00 0.00 N ATOM 881 CA ASP A 59 -9.602 3.129 3.416 1.00 0.00 C ATOM 882 C ASP A 59 -9.620 3.169 1.886 1.00 0.00 C ATOM 883 O ASP A 59 -10.639 3.500 1.282 1.00 0.00 O ATOM 884 CB ASP A 59 -9.297 4.541 3.922 1.00 0.00 C ATOM 885 CG ASP A 59 -10.515 5.456 4.057 1.00 0.00 C ATOM 886 OD1 ASP A 59 -11.517 4.986 4.638 1.00 0.00 O ATOM 887 OD2 ASP A 59 -10.417 6.606 3.576 1.00 0.00 O ATOM 0 H ASP A 59 -7.631 2.458 3.651 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.564 2.804 3.812 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -8.809 4.465 4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.584 5.008 3.243 1.00 0.00 H new ATOM 892 N GLY A 60 -8.480 2.827 1.304 1.00 0.00 N ATOM 893 CA GLY A 60 -8.352 2.820 -0.144 1.00 0.00 C ATOM 894 C GLY A 60 -7.425 3.941 -0.618 1.00 0.00 C ATOM 895 O GLY A 60 -7.233 4.126 -1.819 1.00 0.00 O ATOM 0 H GLY A 60 -7.637 2.553 1.808 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.962 1.857 -0.473 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.335 2.939 -0.600 1.00 0.00 H new ATOM 899 N GLU A 61 -6.875 4.659 0.350 1.00 0.00 N ATOM 900 CA GLU A 61 -5.972 5.757 0.046 1.00 0.00 C ATOM 901 C GLU A 61 -4.799 5.260 -0.801 1.00 0.00 C ATOM 902 O GLU A 61 -4.123 4.301 -0.431 1.00 0.00 O ATOM 903 CB GLU A 61 -5.477 6.430 1.328 1.00 0.00 C ATOM 904 CG GLU A 61 -6.305 7.676 1.648 1.00 0.00 C ATOM 905 CD GLU A 61 -7.779 7.460 1.299 1.00 0.00 C ATOM 906 OE1 GLU A 61 -8.497 6.928 2.173 1.00 0.00 O ATOM 907 OE2 GLU A 61 -8.155 7.831 0.166 1.00 0.00 O ATOM 0 H GLU A 61 -7.037 4.502 1.345 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.519 6.504 -0.529 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.536 5.726 2.158 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.428 6.705 1.217 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.210 7.918 2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.917 8.528 1.090 1.00 0.00 H new ATOM 914 N THR A 62 -4.592 5.936 -1.922 1.00 0.00 N ATOM 915 CA THR A 62 -3.512 5.575 -2.824 1.00 0.00 C ATOM 916 C THR A 62 -2.384 6.606 -2.744 1.00 0.00 C ATOM 917 O THR A 62 -2.575 7.769 -3.097 1.00 0.00 O ATOM 918 CB THR A 62 -4.100 5.426 -4.229 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.404 4.895 -4.005 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.393 4.343 -5.047 1.00 0.00 C ATOM 0 H THR A 62 -5.154 6.731 -2.226 1.00 0.00 H new ATOM 0 HA THR A 62 -3.061 4.624 -2.542 1.00 0.00 H new ATOM 0 HB THR A 62 -4.034 6.379 -4.753 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.858 4.768 -4.864 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.848 4.278 -6.035 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.338 4.595 -5.150 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.489 3.383 -4.540 1.00 0.00 H new ATOM 928 N GLY A 63 -1.234 6.142 -2.279 1.00 0.00 N ATOM 929 CA GLY A 63 -0.075 7.009 -2.148 1.00 0.00 C ATOM 930 C GLY A 63 1.220 6.234 -2.401 1.00 0.00 C ATOM 931 O GLY A 63 1.184 5.061 -2.768 1.00 0.00 O ATOM 0 H GLY A 63 -1.080 5.177 -1.988 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.153 7.835 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -0.053 7.445 -1.149 1.00 0.00 H new ATOM 935 N TRP A 64 2.333 6.923 -2.195 1.00 0.00 N ATOM 936 CA TRP A 64 3.637 6.315 -2.396 1.00 0.00 C ATOM 937 C TRP A 64 4.136 5.806 -1.042 1.00 0.00 C ATOM 938 O TRP A 64 4.006 6.494 -0.031 1.00 0.00 O ATOM 939 CB TRP A 64 4.604 7.298 -3.059 1.00 0.00 C ATOM 940 CG TRP A 64 4.381 7.473 -4.562 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.622 8.387 -5.183 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.956 6.672 -5.617 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.665 8.234 -6.554 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.502 7.159 -6.826 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.830 5.573 -5.550 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.869 6.608 -8.060 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.187 5.034 -6.792 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.740 5.512 -8.018 1.00 0.00 C ATOM 0 H TRP A 64 2.358 7.896 -1.891 1.00 0.00 H new ATOM 0 HA TRP A 64 3.567 5.470 -3.081 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.509 8.269 -2.573 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.625 6.956 -2.891 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.049 9.148 -4.674 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.173 8.805 -7.241 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.197 5.176 -4.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.500 7.007 -8.994 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.857 4.187 -6.798 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.063 5.040 -8.934 1.00 0.00 H new ATOM 959 N PHE A 65 4.697 4.606 -1.067 1.00 0.00 N ATOM 960 CA PHE A 65 5.216 3.998 0.147 1.00 0.00 C ATOM 961 C PHE A 65 6.519 3.246 -0.131 1.00 0.00 C ATOM 962 O PHE A 65 6.601 2.468 -1.080 1.00 0.00 O ATOM 963 CB PHE A 65 4.161 3.003 0.634 1.00 0.00 C ATOM 964 CG PHE A 65 4.214 1.645 -0.069 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.230 0.781 0.196 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.244 1.302 -0.959 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.279 -0.479 -0.457 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.293 0.042 -1.612 1.00 0.00 C ATOM 969 CZ PHE A 65 4.310 -0.822 -1.347 1.00 0.00 C ATOM 0 H PHE A 65 4.804 4.039 -1.908 1.00 0.00 H new ATOM 0 HA PHE A 65 5.423 4.768 0.890 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.288 2.851 1.706 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.172 3.438 0.488 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.000 1.053 0.903 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.437 1.988 -1.169 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.086 -1.165 -0.247 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.523 -0.230 -2.319 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.348 -1.780 -1.844 1.00 0.00 H new ATOM 979 N PRO A 66 7.532 3.512 0.737 1.00 0.00 N ATOM 980 CA PRO A 66 8.827 2.869 0.594 1.00 0.00 C ATOM 981 C PRO A 66 8.770 1.411 1.054 1.00 0.00 C ATOM 982 O PRO A 66 7.998 1.069 1.948 1.00 0.00 O ATOM 983 CB PRO A 66 9.780 3.716 1.423 1.00 0.00 C ATOM 984 CG PRO A 66 8.905 4.524 2.367 1.00 0.00 C ATOM 985 CD PRO A 66 7.471 4.428 1.872 1.00 0.00 C ATOM 0 HA PRO A 66 9.159 2.818 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.478 3.089 1.978 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.376 4.370 0.786 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.984 4.139 3.384 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.231 5.564 2.393 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.808 4.051 2.650 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.089 5.404 1.573 1.00 0.00 H new ATOM 993 N GLU A 67 9.597 0.592 0.422 1.00 0.00 N ATOM 994 CA GLU A 67 9.650 -0.822 0.755 1.00 0.00 C ATOM 995 C GLU A 67 10.238 -1.016 2.154 1.00 0.00 C ATOM 996 O GLU A 67 9.817 -1.907 2.890 1.00 0.00 O ATOM 997 CB GLU A 67 10.451 -1.601 -0.290 1.00 0.00 C ATOM 998 CG GLU A 67 11.738 -0.861 -0.659 1.00 0.00 C ATOM 999 CD GLU A 67 12.952 -1.786 -0.555 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.125 -2.375 0.534 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.680 -1.883 -1.567 1.00 0.00 O ATOM 0 H GLU A 67 10.236 0.880 -0.319 1.00 0.00 H new ATOM 0 HA GLU A 67 8.633 -1.215 0.752 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.695 -2.590 0.097 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.844 -1.749 -1.183 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.659 -0.471 -1.674 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.871 -0.005 0.002 1.00 0.00 H new ATOM 1008 N ASP A 68 11.201 -0.166 2.479 1.00 0.00 N ATOM 1009 CA ASP A 68 11.851 -0.233 3.777 1.00 0.00 C ATOM 1010 C ASP A 68 10.786 -0.257 4.875 1.00 0.00 C ATOM 1011 O ASP A 68 11.037 -0.740 5.978 1.00 0.00 O ATOM 1012 CB ASP A 68 12.743 0.988 4.010 1.00 0.00 C ATOM 1013 CG ASP A 68 13.972 1.073 3.102 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.676 0.045 3.002 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.180 2.164 2.529 1.00 0.00 O ATOM 0 H ASP A 68 11.547 0.572 1.866 1.00 0.00 H new ATOM 0 HA ASP A 68 12.462 -1.136 3.802 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.144 1.888 3.871 1.00 0.00 H new ATOM 0 HB3 ASP A 68 13.076 0.983 5.048 1.00 0.00 H new ATOM 1020 N PHE A 69 9.619 0.271 4.535 1.00 0.00 N ATOM 1021 CA PHE A 69 8.515 0.317 5.479 1.00 0.00 C ATOM 1022 C PHE A 69 7.402 -0.648 5.066 1.00 0.00 C ATOM 1023 O PHE A 69 6.221 -0.353 5.248 1.00 0.00 O ATOM 1024 CB PHE A 69 7.969 1.746 5.459 1.00 0.00 C ATOM 1025 CG PHE A 69 8.937 2.790 6.019 1.00 0.00 C ATOM 1026 CD1 PHE A 69 10.002 3.198 5.277 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.733 3.311 7.259 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.900 4.166 5.797 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.632 4.280 7.779 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.696 4.687 7.037 1.00 0.00 C ATOM 0 H PHE A 69 9.414 0.670 3.619 1.00 0.00 H new ATOM 0 HA PHE A 69 8.861 0.028 6.472 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.716 2.013 4.433 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.043 1.778 6.034 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.164 2.785 4.292 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.887 2.988 7.848 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.746 4.489 5.208 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.470 4.693 8.764 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.379 5.424 7.432 1.00 0.00 H new ATOM 1040 N ALA A 70 7.816 -1.780 4.518 1.00 0.00 N ATOM 1041 CA ALA A 70 6.868 -2.790 4.079 1.00 0.00 C ATOM 1042 C ALA A 70 7.628 -4.056 3.676 1.00 0.00 C ATOM 1043 O ALA A 70 8.838 -4.015 3.460 1.00 0.00 O ATOM 1044 CB ALA A 70 6.020 -2.231 2.935 1.00 0.00 C ATOM 0 H ALA A 70 8.796 -2.021 4.368 1.00 0.00 H new ATOM 0 HA ALA A 70 6.189 -3.057 4.889 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.309 -2.988 2.606 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.478 -1.350 3.280 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.668 -1.955 2.103 1.00 0.00 H new ATOM 1050 N ARG A 71 6.886 -5.150 3.589 1.00 0.00 N ATOM 1051 CA ARG A 71 7.475 -6.425 3.216 1.00 0.00 C ATOM 1052 C ARG A 71 6.555 -7.172 2.248 1.00 0.00 C ATOM 1053 O ARG A 71 5.362 -7.321 2.509 1.00 0.00 O ATOM 1054 CB ARG A 71 7.723 -7.298 4.448 1.00 0.00 C ATOM 1055 CG ARG A 71 6.431 -7.507 5.241 1.00 0.00 C ATOM 1056 CD ARG A 71 6.669 -8.421 6.445 1.00 0.00 C ATOM 1057 NE ARG A 71 6.524 -7.651 7.701 1.00 0.00 N ATOM 1058 CZ ARG A 71 6.984 -8.062 8.891 1.00 0.00 C ATOM 1059 NH1 ARG A 71 7.620 -9.236 8.994 1.00 0.00 N ATOM 1060 NH2 ARG A 71 6.807 -7.297 9.977 1.00 0.00 N ATOM 0 H ARG A 71 5.883 -5.180 3.770 1.00 0.00 H new ATOM 0 HA ARG A 71 8.429 -6.220 2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 71 8.125 -8.263 4.139 1.00 0.00 H new ATOM 0 HB3 ARG A 71 8.473 -6.830 5.085 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.049 -6.544 5.580 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.669 -7.942 4.594 1.00 0.00 H new ATOM 0 HD2 ARG A 71 5.958 -9.247 6.431 1.00 0.00 H new ATOM 0 HD3 ARG A 71 7.666 -8.857 6.389 1.00 0.00 H new ATOM 0 HE ARG A 71 6.044 -6.752 7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.754 -9.817 8.167 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.970 -9.549 9.900 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.323 -6.403 9.898 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.157 -7.609 10.883 1.00 0.00 H new ATOM 1074 N PHE A 72 7.144 -7.621 1.150 1.00 0.00 N ATOM 1075 CA PHE A 72 6.393 -8.348 0.141 1.00 0.00 C ATOM 1076 C PHE A 72 5.921 -9.701 0.678 1.00 0.00 C ATOM 1077 O PHE A 72 6.719 -10.624 0.834 1.00 0.00 O ATOM 1078 CB PHE A 72 7.339 -8.583 -1.038 1.00 0.00 C ATOM 1079 CG PHE A 72 7.379 -7.430 -2.043 1.00 0.00 C ATOM 1080 CD1 PHE A 72 8.169 -6.349 -1.806 1.00 0.00 C ATOM 1081 CD2 PHE A 72 6.623 -7.486 -3.173 1.00 0.00 C ATOM 1082 CE1 PHE A 72 8.207 -5.279 -2.739 1.00 0.00 C ATOM 1083 CE2 PHE A 72 6.661 -6.415 -4.105 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.451 -5.334 -3.869 1.00 0.00 C ATOM 0 H PHE A 72 8.133 -7.495 0.937 1.00 0.00 H new ATOM 0 HA PHE A 72 5.513 -7.776 -0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.345 -8.753 -0.655 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.038 -9.493 -1.557 1.00 0.00 H new ATOM 0 HD1 PHE A 72 8.768 -6.304 -0.908 1.00 0.00 H new ATOM 0 HD2 PHE A 72 5.995 -8.344 -3.361 1.00 0.00 H new ATOM 0 HE1 PHE A 72 8.836 -4.421 -2.552 1.00 0.00 H new ATOM 0 HE2 PHE A 72 6.062 -6.459 -5.002 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.478 -4.520 -4.578 1.00 0.00 H new