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= -0.111 X(o=-0.11,f=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.0468 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= 0.187 USER MOD Single : A 37 GLN : amide:sc= -0.0904 K(o=-0.09,f=-1.6!) USER MOD Single : A 38 GLN : amide:sc= 0.79 K(o=0.79,f=-0.91) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.65 X(o=-0.65,f=-0.58) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.410 -7.148 -2.818 1.00 0.00 N ATOM 230 CA GLN A 19 0.983 -6.537 -1.570 1.00 0.00 C ATOM 231 C GLN A 19 2.105 -6.609 -0.533 1.00 0.00 C ATOM 232 O GLN A 19 2.793 -7.624 -0.426 1.00 0.00 O ATOM 233 CB GLN A 19 -0.293 -7.197 -1.045 1.00 0.00 C ATOM 234 CG GLN A 19 -1.431 -7.075 -2.059 1.00 0.00 C ATOM 235 CD GLN A 19 -2.731 -7.654 -1.497 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.258 -8.645 -1.975 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.218 -6.981 -0.458 1.00 0.00 N ATOM 0 HA GLN A 19 0.758 -5.488 -1.760 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.102 -8.249 -0.833 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.587 -6.731 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.579 -6.027 -2.321 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.163 -7.598 -2.977 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.727 -6.159 -0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.083 -7.287 -0.012 1.00 0.00 H new ATOM 246 N VAL A 20 2.256 -5.519 0.206 1.00 0.00 N ATOM 247 CA VAL A 20 3.283 -5.446 1.231 1.00 0.00 C ATOM 248 C VAL A 20 2.649 -5.005 2.552 1.00 0.00 C ATOM 249 O VAL A 20 1.783 -4.132 2.567 1.00 0.00 O ATOM 250 CB VAL A 20 4.414 -4.524 0.774 1.00 0.00 C ATOM 251 CG1 VAL A 20 5.005 -4.998 -0.556 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.934 -3.074 0.675 1.00 0.00 C ATOM 0 H VAL A 20 1.684 -4.679 0.115 1.00 0.00 H new ATOM 0 HA VAL A 20 3.728 -6.427 1.396 1.00 0.00 H new ATOM 0 HB VAL A 20 5.203 -4.565 1.525 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.807 -4.325 -0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.402 -6.006 -0.439 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.227 -5.001 -1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.758 -2.440 0.348 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.118 -3.009 -0.045 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.584 -2.739 1.651 1.00 0.00 H new ATOM 262 N GLU A 21 3.104 -5.630 3.628 1.00 0.00 N ATOM 263 CA GLU A 21 2.592 -5.312 4.950 1.00 0.00 C ATOM 264 C GLU A 21 3.496 -4.288 5.638 1.00 0.00 C ATOM 265 O GLU A 21 4.682 -4.542 5.847 1.00 0.00 O ATOM 266 CB GLU A 21 2.449 -6.576 5.801 1.00 0.00 C ATOM 267 CG GLU A 21 1.750 -6.269 7.126 1.00 0.00 C ATOM 268 CD GLU A 21 1.270 -7.554 7.804 1.00 0.00 C ATOM 269 OE1 GLU A 21 0.302 -8.145 7.280 1.00 0.00 O ATOM 270 OE2 GLU A 21 1.884 -7.917 8.831 1.00 0.00 O ATOM 0 H GLU A 21 3.821 -6.355 3.611 1.00 0.00 H new ATOM 0 HA GLU A 21 1.600 -4.874 4.838 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.881 -7.326 5.251 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.434 -7.001 5.995 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.434 -5.738 7.788 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.901 -5.608 6.949 1.00 0.00 H new ATOM 277 N ILE A 22 2.903 -3.151 5.971 1.00 0.00 N ATOM 278 CA ILE A 22 3.640 -2.087 6.631 1.00 0.00 C ATOM 279 C ILE A 22 4.054 -2.551 8.029 1.00 0.00 C ATOM 280 O ILE A 22 3.207 -2.733 8.903 1.00 0.00 O ATOM 281 CB ILE A 22 2.828 -0.791 6.628 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.358 -0.441 5.215 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.617 0.352 7.269 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.547 -0.276 4.267 1.00 0.00 C ATOM 0 H ILE A 22 1.920 -2.943 5.796 1.00 0.00 H new ATOM 0 HA ILE A 22 4.556 -1.862 6.085 1.00 0.00 H new ATOM 0 HB ILE A 22 1.936 -0.946 7.235 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.698 -1.224 4.843 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.777 0.481 5.239 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.017 1.262 7.254 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.859 0.094 8.300 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.539 0.516 6.710 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.185 -0.028 3.269 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.192 0.524 4.629 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.112 -1.207 4.226 1.00 0.00 H new ATOM 296 N THR A 23 5.356 -2.728 8.198 1.00 0.00 N ATOM 297 CA THR A 23 5.892 -3.167 9.475 1.00 0.00 C ATOM 298 C THR A 23 5.707 -2.078 10.533 1.00 0.00 C ATOM 299 O THR A 23 5.410 -2.375 11.689 1.00 0.00 O ATOM 300 CB THR A 23 7.354 -3.565 9.262 1.00 0.00 C ATOM 301 OG1 THR A 23 7.918 -2.458 8.565 1.00 0.00 O ATOM 302 CG2 THR A 23 7.506 -4.735 8.287 1.00 0.00 C ATOM 0 H THR A 23 6.056 -2.575 7.472 1.00 0.00 H new ATOM 0 HA THR A 23 5.355 -4.037 9.852 1.00 0.00 H new ATOM 0 HB THR A 23 7.801 -3.830 10.220 1.00 0.00 H new ATOM 0 HG1 THR A 23 8.866 -2.632 8.388 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.562 -4.977 8.171 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.975 -5.604 8.676 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.089 -4.458 7.319 1.00 0.00 H new ATOM 310 N LYS A 24 5.891 -0.839 10.100 1.00 0.00 N ATOM 311 CA LYS A 24 5.749 0.296 10.996 1.00 0.00 C ATOM 312 C LYS A 24 5.021 1.427 10.267 1.00 0.00 C ATOM 313 O LYS A 24 5.090 1.527 9.043 1.00 0.00 O ATOM 314 CB LYS A 24 7.109 0.705 11.563 1.00 0.00 C ATOM 315 CG LYS A 24 7.987 1.338 10.481 1.00 0.00 C ATOM 316 CD LYS A 24 9.334 0.620 10.379 1.00 0.00 C ATOM 317 CE LYS A 24 10.462 1.611 10.085 1.00 0.00 C ATOM 318 NZ LYS A 24 10.955 2.222 11.340 1.00 0.00 N ATOM 0 H LYS A 24 6.137 -0.596 9.140 1.00 0.00 H new ATOM 0 HA LYS A 24 5.139 0.027 11.858 1.00 0.00 H new ATOM 0 HB2 LYS A 24 6.968 1.411 12.381 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.611 -0.169 11.979 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.474 1.295 9.520 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.149 2.392 10.709 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.541 0.094 11.311 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.291 -0.132 9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.280 1.100 9.577 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.104 2.389 9.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 11.720 2.892 11.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.176 2.726 11.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.315 1.477 11.970 1.00 0.00 H new ATOM 332 N ALA A 25 4.339 2.250 11.051 1.00 0.00 N ATOM 333 CA ALA A 25 3.599 3.371 10.495 1.00 0.00 C ATOM 334 C ALA A 25 4.525 4.193 9.597 1.00 0.00 C ATOM 335 O ALA A 25 5.718 4.314 9.874 1.00 0.00 O ATOM 336 CB ALA A 25 3.001 4.202 11.632 1.00 0.00 C ATOM 0 H ALA A 25 4.283 2.163 12.066 1.00 0.00 H new ATOM 0 HA ALA A 25 2.772 3.017 9.879 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.446 5.043 11.215 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.328 3.580 12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.802 4.576 12.269 1.00 0.00 H new ATOM 342 N PHE A 26 3.942 4.736 8.538 1.00 0.00 N ATOM 343 CA PHE A 26 4.700 5.543 7.598 1.00 0.00 C ATOM 344 C PHE A 26 4.047 6.913 7.400 1.00 0.00 C ATOM 345 O PHE A 26 3.319 7.123 6.431 1.00 0.00 O ATOM 346 CB PHE A 26 4.699 4.794 6.264 1.00 0.00 C ATOM 347 CG PHE A 26 4.979 5.683 5.050 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.125 6.413 4.992 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.081 5.744 4.031 1.00 0.00 C ATOM 350 CE1 PHE A 26 6.384 7.238 3.866 1.00 0.00 C ATOM 351 CE2 PHE A 26 4.340 6.570 2.905 1.00 0.00 C ATOM 352 CZ PHE A 26 5.486 7.299 2.846 1.00 0.00 C ATOM 0 H PHE A 26 2.953 4.633 8.311 1.00 0.00 H new ATOM 0 HA PHE A 26 5.710 5.703 7.975 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.448 4.003 6.303 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.731 4.310 6.132 1.00 0.00 H new ATOM 0 HD1 PHE A 26 6.838 6.365 5.802 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.171 5.164 4.078 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.294 7.817 3.819 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.627 6.619 2.096 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.683 7.926 1.989 1.00 0.00 H new ATOM 362 N PHE A 27 4.331 7.809 8.334 1.00 0.00 N ATOM 363 CA PHE A 27 3.780 9.152 8.274 1.00 0.00 C ATOM 364 C PHE A 27 4.185 9.853 6.976 1.00 0.00 C ATOM 365 O PHE A 27 5.370 10.064 6.723 1.00 0.00 O ATOM 366 CB PHE A 27 4.360 9.926 9.460 1.00 0.00 C ATOM 367 CG PHE A 27 4.158 9.237 10.811 1.00 0.00 C ATOM 368 CD1 PHE A 27 2.932 8.761 11.155 1.00 0.00 C ATOM 369 CD2 PHE A 27 5.206 9.101 11.668 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.744 8.122 12.410 1.00 0.00 C ATOM 371 CE2 PHE A 27 5.018 8.462 12.922 1.00 0.00 C ATOM 372 CZ PHE A 27 3.792 7.986 13.266 1.00 0.00 C ATOM 0 H PHE A 27 4.935 7.631 9.136 1.00 0.00 H new ATOM 0 HA PHE A 27 2.691 9.110 8.308 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.427 10.076 9.296 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.901 10.914 9.495 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.101 8.869 10.474 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.180 9.479 11.395 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.770 7.745 12.684 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.849 8.354 13.603 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.650 7.499 14.220 1.00 0.00 H new ATOM 382 N ALA A 28 3.177 10.195 6.187 1.00 0.00 N ATOM 383 CA ALA A 28 3.412 10.868 4.921 1.00 0.00 C ATOM 384 C ALA A 28 3.855 12.308 5.189 1.00 0.00 C ATOM 385 O ALA A 28 3.262 13.000 6.015 1.00 0.00 O ATOM 386 CB ALA A 28 2.149 10.797 4.062 1.00 0.00 C ATOM 0 H ALA A 28 2.195 10.018 6.400 1.00 0.00 H new ATOM 0 HA ALA A 28 4.210 10.375 4.367 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.326 11.302 3.112 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.894 9.754 3.876 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.326 11.284 4.584 1.00 0.00 H new ATOM 392 N LYS A 29 4.894 12.717 4.475 1.00 0.00 N ATOM 393 CA LYS A 29 5.423 14.062 4.625 1.00 0.00 C ATOM 394 C LYS A 29 5.028 14.899 3.406 1.00 0.00 C ATOM 395 O LYS A 29 4.765 16.094 3.529 1.00 0.00 O ATOM 396 CB LYS A 29 6.931 14.019 4.879 1.00 0.00 C ATOM 397 CG LYS A 29 7.701 13.802 3.575 1.00 0.00 C ATOM 398 CD LYS A 29 8.244 15.125 3.032 1.00 0.00 C ATOM 399 CE LYS A 29 9.589 14.920 2.332 1.00 0.00 C ATOM 400 NZ LYS A 29 10.526 16.011 2.680 1.00 0.00 N ATOM 0 H LYS A 29 5.384 12.140 3.791 1.00 0.00 H new ATOM 0 HA LYS A 29 4.990 14.547 5.500 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.252 14.951 5.344 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.163 13.217 5.580 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.525 13.109 3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.047 13.342 2.834 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.528 15.556 2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.360 15.837 3.849 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.015 13.960 2.624 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.443 14.889 1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.434 15.856 2.197 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.125 16.922 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 10.679 16.022 3.709 1.00 0.00 H new ATOM 414 N GLN A 30 5.000 14.238 2.258 1.00 0.00 N ATOM 415 CA GLN A 30 4.642 14.907 1.019 1.00 0.00 C ATOM 416 C GLN A 30 3.159 14.693 0.709 1.00 0.00 C ATOM 417 O GLN A 30 2.434 14.100 1.506 1.00 0.00 O ATOM 418 CB GLN A 30 5.519 14.423 -0.138 1.00 0.00 C ATOM 419 CG GLN A 30 6.818 15.228 -0.215 1.00 0.00 C ATOM 420 CD GLN A 30 7.051 15.761 -1.630 1.00 0.00 C ATOM 421 OE1 GLN A 30 7.924 15.311 -2.355 1.00 0.00 O ATOM 422 NE2 GLN A 30 6.223 16.741 -1.982 1.00 0.00 N ATOM 0 H GLN A 30 5.219 13.247 2.160 1.00 0.00 H new ATOM 0 HA GLN A 30 4.817 15.976 1.142 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.749 13.366 -0.007 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.973 14.516 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.777 16.060 0.488 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.657 14.600 0.083 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.515 17.070 -1.326 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.297 17.163 -2.908 1.00 0.00 H new ATOM 431 N ALA A 31 2.753 15.187 -0.451 1.00 0.00 N ATOM 432 CA ALA A 31 1.369 15.057 -0.876 1.00 0.00 C ATOM 433 C ALA A 31 1.229 13.824 -1.771 1.00 0.00 C ATOM 434 O ALA A 31 0.120 13.452 -2.152 1.00 0.00 O ATOM 435 CB ALA A 31 0.928 16.342 -1.580 1.00 0.00 C ATOM 0 H ALA A 31 3.357 15.678 -1.110 1.00 0.00 H new ATOM 0 HA ALA A 31 0.715 14.916 -0.016 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.110 16.244 -1.899 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.019 17.183 -0.893 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.560 16.515 -2.451 1.00 0.00 H new ATOM 441 N ASP A 32 2.368 13.224 -2.080 1.00 0.00 N ATOM 442 CA ASP A 32 2.386 12.040 -2.923 1.00 0.00 C ATOM 443 C ASP A 32 2.480 10.793 -2.042 1.00 0.00 C ATOM 444 O ASP A 32 2.303 9.675 -2.522 1.00 0.00 O ATOM 445 CB ASP A 32 3.596 12.049 -3.860 1.00 0.00 C ATOM 446 CG ASP A 32 4.853 12.708 -3.287 1.00 0.00 C ATOM 447 OD1 ASP A 32 5.414 12.127 -2.333 1.00 0.00 O ATOM 448 OD2 ASP A 32 5.223 13.779 -3.815 1.00 0.00 O ATOM 0 H ASP A 32 3.286 13.535 -1.762 1.00 0.00 H new ATOM 0 HA ASP A 32 1.471 12.034 -3.515 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.835 11.020 -4.131 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.321 12.565 -4.780 1.00 0.00 H new ATOM 453 N GLU A 33 2.758 11.027 -0.768 1.00 0.00 N ATOM 454 CA GLU A 33 2.877 9.937 0.185 1.00 0.00 C ATOM 455 C GLU A 33 1.523 9.651 0.837 1.00 0.00 C ATOM 456 O GLU A 33 0.557 10.379 0.614 1.00 0.00 O ATOM 457 CB GLU A 33 3.940 10.246 1.241 1.00 0.00 C ATOM 458 CG GLU A 33 5.339 10.268 0.622 1.00 0.00 C ATOM 459 CD GLU A 33 6.321 11.032 1.512 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.016 11.155 2.718 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.354 11.476 0.966 1.00 0.00 O ATOM 0 H GLU A 33 2.904 11.956 -0.373 1.00 0.00 H new ATOM 0 HA GLU A 33 3.195 9.044 -0.353 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.728 11.210 1.704 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.900 9.497 2.032 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.693 9.247 0.477 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.297 10.733 -0.363 1.00 0.00 H new ATOM 468 N VAL A 34 1.496 8.590 1.630 1.00 0.00 N ATOM 469 CA VAL A 34 0.276 8.199 2.316 1.00 0.00 C ATOM 470 C VAL A 34 0.631 7.618 3.686 1.00 0.00 C ATOM 471 O VAL A 34 1.553 6.812 3.803 1.00 0.00 O ATOM 472 CB VAL A 34 -0.526 7.231 1.445 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.355 6.084 0.945 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.745 6.696 2.200 1.00 0.00 C ATOM 0 H VAL A 34 2.299 7.989 1.813 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.362 9.066 2.486 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.885 7.782 0.575 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.240 5.410 0.328 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.176 6.488 0.353 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.757 5.536 1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.298 6.010 1.558 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.416 6.169 3.096 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.390 7.527 2.484 1.00 0.00 H new ATOM 484 N THR A 35 -0.120 8.050 4.689 1.00 0.00 N ATOM 485 CA THR A 35 0.103 7.582 6.046 1.00 0.00 C ATOM 486 C THR A 35 -0.397 6.145 6.205 1.00 0.00 C ATOM 487 O THR A 35 -1.498 5.815 5.765 1.00 0.00 O ATOM 488 CB THR A 35 -0.570 8.569 7.003 1.00 0.00 C ATOM 489 OG1 THR A 35 0.068 9.812 6.724 1.00 0.00 O ATOM 490 CG2 THR A 35 -0.225 8.292 8.467 1.00 0.00 C ATOM 0 H THR A 35 -0.883 8.719 4.589 1.00 0.00 H new ATOM 0 HA THR A 35 1.166 7.550 6.283 1.00 0.00 H new ATOM 0 HB THR A 35 -1.651 8.524 6.871 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.309 10.510 7.300 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.728 9.020 9.103 1.00 0.00 H new ATOM 0 HG22 THR A 35 -0.554 7.288 8.735 1.00 0.00 H new ATOM 0 HG23 THR A 35 0.853 8.370 8.608 1.00 0.00 H new ATOM 498 N LEU A 36 0.435 5.329 6.834 1.00 0.00 N ATOM 499 CA LEU A 36 0.091 3.934 7.056 1.00 0.00 C ATOM 500 C LEU A 36 0.245 3.606 8.542 1.00 0.00 C ATOM 501 O LEU A 36 0.716 4.435 9.319 1.00 0.00 O ATOM 502 CB LEU A 36 0.913 3.027 6.137 1.00 0.00 C ATOM 503 CG LEU A 36 1.074 3.504 4.692 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.324 2.899 4.051 1.00 0.00 C ATOM 505 CD2 LEU A 36 -0.187 3.214 3.876 1.00 0.00 C ATOM 0 H LEU A 36 1.347 5.606 7.197 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.952 3.752 6.796 1.00 0.00 H new ATOM 0 HB2 LEU A 36 1.905 2.907 6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.449 2.041 6.123 1.00 0.00 H new ATOM 0 HG LEU A 36 1.209 4.586 4.702 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.415 3.254 3.024 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.205 3.199 4.618 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.244 1.812 4.053 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.047 3.563 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.378 2.141 3.871 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.036 3.731 4.322 1.00 0.00 H new ATOM 517 N GLN A 37 -0.162 2.395 8.893 1.00 0.00 N ATOM 518 CA GLN A 37 -0.076 1.947 10.272 1.00 0.00 C ATOM 519 C GLN A 37 0.687 0.623 10.353 1.00 0.00 C ATOM 520 O GLN A 37 0.910 -0.032 9.337 1.00 0.00 O ATOM 521 CB GLN A 37 -1.468 1.816 10.894 1.00 0.00 C ATOM 522 CG GLN A 37 -2.073 3.192 11.178 1.00 0.00 C ATOM 523 CD GLN A 37 -1.585 3.739 12.521 1.00 0.00 C ATOM 524 OE1 GLN A 37 -1.229 3.004 13.428 1.00 0.00 O ATOM 525 NE2 GLN A 37 -1.587 5.067 12.598 1.00 0.00 N ATOM 0 H GLN A 37 -0.552 1.710 8.246 1.00 0.00 H new ATOM 0 HA GLN A 37 0.472 2.696 10.843 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.120 1.260 10.221 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.404 1.245 11.820 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.803 3.884 10.380 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.161 3.121 11.184 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.898 5.624 11.802 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -1.278 5.529 13.453 1.00 0.00 H new ATOM 534 N GLN A 38 1.067 0.270 11.573 1.00 0.00 N ATOM 535 CA GLN A 38 1.801 -0.963 11.800 1.00 0.00 C ATOM 536 C GLN A 38 0.927 -2.172 11.458 1.00 0.00 C ATOM 537 O GLN A 38 -0.191 -2.294 11.956 1.00 0.00 O ATOM 538 CB GLN A 38 2.307 -1.043 13.242 1.00 0.00 C ATOM 539 CG GLN A 38 2.994 -2.383 13.509 1.00 0.00 C ATOM 540 CD GLN A 38 4.067 -2.244 14.590 1.00 0.00 C ATOM 541 OE1 GLN A 38 3.833 -2.469 15.766 1.00 0.00 O ATOM 542 NE2 GLN A 38 5.254 -1.861 14.129 1.00 0.00 N ATOM 0 H GLN A 38 0.880 0.816 12.414 1.00 0.00 H new ATOM 0 HA GLN A 38 2.671 -0.971 11.143 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.006 -0.228 13.432 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.473 -0.914 13.931 1.00 0.00 H new ATOM 0 HG2 GLN A 38 2.253 -3.120 13.820 1.00 0.00 H new ATOM 0 HG3 GLN A 38 3.446 -2.754 12.589 1.00 0.00 H new ATOM 0 HE21 GLN A 38 5.383 -1.689 13.132 1.00 0.00 H new ATOM 0 HE22 GLN A 38 6.036 -1.739 14.773 1.00 0.00 H new ATOM 551 N ALA A 39 1.470 -3.033 10.610 1.00 0.00 N ATOM 552 CA ALA A 39 0.753 -4.228 10.196 1.00 0.00 C ATOM 553 C ALA A 39 -0.423 -3.828 9.304 1.00 0.00 C ATOM 554 O ALA A 39 -1.546 -4.286 9.509 1.00 0.00 O ATOM 555 CB ALA A 39 0.307 -5.010 11.433 1.00 0.00 C ATOM 0 H ALA A 39 2.397 -2.927 10.198 1.00 0.00 H new ATOM 0 HA ALA A 39 1.401 -4.882 9.613 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.231 -5.906 11.123 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.181 -5.296 12.018 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.348 -4.386 12.041 1.00 0.00 H new ATOM 561 N ASP A 40 -0.126 -2.978 8.332 1.00 0.00 N ATOM 562 CA ASP A 40 -1.145 -2.511 7.408 1.00 0.00 C ATOM 563 C ASP A 40 -0.898 -3.128 6.030 1.00 0.00 C ATOM 564 O ASP A 40 0.243 -3.403 5.664 1.00 0.00 O ATOM 565 CB ASP A 40 -1.098 -0.989 7.260 1.00 0.00 C ATOM 566 CG ASP A 40 -1.870 -0.211 8.328 1.00 0.00 C ATOM 567 OD1 ASP A 40 -2.092 -0.799 9.408 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.221 0.954 8.039 1.00 0.00 O ATOM 0 H ASP A 40 0.807 -2.600 8.164 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.118 -2.805 7.801 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.056 -0.669 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.494 -0.722 6.280 1.00 0.00 H new ATOM 573 N VAL A 41 -1.988 -3.327 5.302 1.00 0.00 N ATOM 574 CA VAL A 41 -1.904 -3.906 3.973 1.00 0.00 C ATOM 575 C VAL A 41 -2.059 -2.799 2.928 1.00 0.00 C ATOM 576 O VAL A 41 -2.889 -1.905 3.085 1.00 0.00 O ATOM 577 CB VAL A 41 -2.941 -5.021 3.821 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.827 -5.694 2.452 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.812 -6.047 4.949 1.00 0.00 C ATOM 0 H VAL A 41 -2.933 -3.097 5.608 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.928 -4.365 3.818 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.931 -4.569 3.890 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.575 -6.482 2.371 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.992 -4.955 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.832 -6.125 2.340 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.560 -6.829 4.817 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.816 -6.490 4.926 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.967 -5.554 5.909 1.00 0.00 H new ATOM 589 N VAL A 42 -1.248 -2.895 1.885 1.00 0.00 N ATOM 590 CA VAL A 42 -1.285 -1.913 0.815 1.00 0.00 C ATOM 591 C VAL A 42 -1.129 -2.625 -0.530 1.00 0.00 C ATOM 592 O VAL A 42 -0.189 -3.394 -0.724 1.00 0.00 O ATOM 593 CB VAL A 42 -0.219 -0.841 1.051 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.025 0.023 -0.196 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.568 0.020 2.266 1.00 0.00 C ATOM 0 H VAL A 42 -0.561 -3.638 1.758 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.246 -1.399 0.802 1.00 0.00 H new ATOM 0 HB VAL A 42 0.724 -1.346 1.258 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.738 0.777 -0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.290 -0.606 -1.029 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.965 0.514 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.205 0.774 2.412 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.527 0.511 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.632 -0.611 3.153 1.00 0.00 H new ATOM 605 N LEU A 43 -2.065 -2.343 -1.425 1.00 0.00 N ATOM 606 CA LEU A 43 -2.043 -2.946 -2.747 1.00 0.00 C ATOM 607 C LEU A 43 -1.170 -2.100 -3.675 1.00 0.00 C ATOM 608 O LEU A 43 -1.545 -0.987 -4.041 1.00 0.00 O ATOM 609 CB LEU A 43 -3.468 -3.155 -3.264 1.00 0.00 C ATOM 610 CG LEU A 43 -3.601 -3.960 -4.558 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.728 -5.456 -4.262 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.763 -3.444 -5.408 1.00 0.00 C ATOM 0 H LEU A 43 -2.843 -1.705 -1.260 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.595 -3.939 -2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.045 -3.656 -2.487 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.924 -2.177 -3.419 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.690 -3.823 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.821 -6.006 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.842 -5.798 -3.727 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.612 -5.632 -3.649 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.835 -4.034 -6.322 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.692 -3.532 -4.845 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.591 -2.398 -5.663 1.00 0.00 H new ATOM 624 N VAL A 44 -0.023 -2.660 -4.029 1.00 0.00 N ATOM 625 CA VAL A 44 0.907 -1.970 -4.907 1.00 0.00 C ATOM 626 C VAL A 44 0.222 -1.686 -6.245 1.00 0.00 C ATOM 627 O VAL A 44 -0.507 -2.530 -6.765 1.00 0.00 O ATOM 628 CB VAL A 44 2.192 -2.788 -5.055 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.136 -2.146 -6.074 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.885 -2.968 -3.703 1.00 0.00 C ATOM 0 H VAL A 44 0.284 -3.584 -3.724 1.00 0.00 H new ATOM 0 HA VAL A 44 1.196 -1.010 -4.479 1.00 0.00 H new ATOM 0 HB VAL A 44 1.920 -3.776 -5.427 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.041 -2.747 -6.160 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.642 -2.093 -7.044 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.398 -1.141 -5.744 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.795 -3.553 -3.836 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.138 -1.991 -3.291 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.216 -3.489 -3.018 1.00 0.00 H new ATOM 640 N LEU A 45 0.481 -0.496 -6.766 1.00 0.00 N ATOM 641 CA LEU A 45 -0.102 -0.090 -8.034 1.00 0.00 C ATOM 642 C LEU A 45 1.018 0.211 -9.031 1.00 0.00 C ATOM 643 O LEU A 45 0.921 -0.143 -10.205 1.00 0.00 O ATOM 644 CB LEU A 45 -1.073 1.074 -7.829 1.00 0.00 C ATOM 645 CG LEU A 45 -2.404 0.727 -7.157 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.990 1.946 -6.442 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.386 0.126 -8.165 1.00 0.00 C ATOM 0 H LEU A 45 1.087 0.201 -6.333 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.697 -0.899 -8.457 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.574 1.836 -7.230 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.285 1.520 -8.801 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.217 -0.033 -6.398 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.935 1.673 -5.973 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.292 2.290 -5.679 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.161 2.744 -7.164 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.323 -0.112 -7.662 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.574 0.845 -8.963 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.961 -0.784 -8.589 1.00 0.00 H new ATOM 659 N GLN A 46 2.056 0.863 -8.528 1.00 0.00 N ATOM 660 CA GLN A 46 3.193 1.216 -9.360 1.00 0.00 C ATOM 661 C GLN A 46 4.498 1.031 -8.583 1.00 0.00 C ATOM 662 O GLN A 46 4.732 1.710 -7.584 1.00 0.00 O ATOM 663 CB GLN A 46 3.066 2.648 -9.884 1.00 0.00 C ATOM 664 CG GLN A 46 2.628 2.659 -11.349 1.00 0.00 C ATOM 665 CD GLN A 46 1.468 3.633 -11.568 1.00 0.00 C ATOM 666 OE1 GLN A 46 0.342 3.248 -11.836 1.00 0.00 O ATOM 667 NE2 GLN A 46 1.805 4.913 -11.438 1.00 0.00 N ATOM 0 H GLN A 46 2.133 1.156 -7.554 1.00 0.00 H new ATOM 0 HA GLN A 46 3.208 0.549 -10.222 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.343 3.197 -9.281 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.022 3.162 -9.783 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.469 2.942 -11.982 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.327 1.656 -11.650 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.767 5.167 -11.212 1.00 0.00 H new ATOM 0 HE22 GLN A 46 1.102 5.641 -11.564 1.00 0.00 H new ATOM 676 N GLN A 47 5.314 0.108 -9.070 1.00 0.00 N ATOM 677 CA GLN A 47 6.589 -0.175 -8.434 1.00 0.00 C ATOM 678 C GLN A 47 7.696 0.676 -9.060 1.00 0.00 C ATOM 679 O GLN A 47 7.987 0.546 -10.248 1.00 0.00 O ATOM 680 CB GLN A 47 6.927 -1.665 -8.522 1.00 0.00 C ATOM 681 CG GLN A 47 6.433 -2.413 -7.282 1.00 0.00 C ATOM 682 CD GLN A 47 7.107 -3.782 -7.164 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.484 -4.823 -7.295 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.410 -3.723 -6.908 1.00 0.00 N ATOM 0 H GLN A 47 5.117 -0.454 -9.898 1.00 0.00 H new ATOM 0 HA GLN A 47 6.511 0.085 -7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.471 -2.093 -9.415 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.005 -1.792 -8.622 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.641 -1.823 -6.390 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.352 -2.539 -7.336 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.870 -2.818 -6.810 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.950 -4.583 -6.809 1.00 0.00 H new ATOM 693 N GLU A 48 8.283 1.528 -8.232 1.00 0.00 N ATOM 694 CA GLU A 48 9.351 2.401 -8.690 1.00 0.00 C ATOM 695 C GLU A 48 10.596 2.216 -7.820 1.00 0.00 C ATOM 696 O GLU A 48 10.574 2.513 -6.627 1.00 0.00 O ATOM 697 CB GLU A 48 8.899 3.862 -8.698 1.00 0.00 C ATOM 698 CG GLU A 48 9.830 4.719 -9.559 1.00 0.00 C ATOM 699 CD GLU A 48 9.937 6.140 -9.003 1.00 0.00 C ATOM 700 OE1 GLU A 48 10.097 6.257 -7.769 1.00 0.00 O ATOM 701 OE2 GLU A 48 9.858 7.079 -9.825 1.00 0.00 O ATOM 0 H GLU A 48 8.039 1.632 -7.247 1.00 0.00 H new ATOM 0 HA GLU A 48 9.604 2.128 -9.715 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.880 3.929 -9.080 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.883 4.247 -7.678 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.820 4.263 -9.595 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.457 4.752 -10.583 1.00 0.00 H new ATOM 708 N ASP A 49 11.653 1.727 -8.452 1.00 0.00 N ATOM 709 CA ASP A 49 12.905 1.499 -7.751 1.00 0.00 C ATOM 710 C ASP A 49 13.150 2.646 -6.768 1.00 0.00 C ATOM 711 O ASP A 49 13.559 3.735 -7.168 1.00 0.00 O ATOM 712 CB ASP A 49 14.082 1.454 -8.727 1.00 0.00 C ATOM 713 CG ASP A 49 14.514 0.050 -9.155 1.00 0.00 C ATOM 714 OD1 ASP A 49 14.894 -0.727 -8.252 1.00 0.00 O ATOM 715 OD2 ASP A 49 14.455 -0.214 -10.375 1.00 0.00 O ATOM 0 H ASP A 49 11.668 1.482 -9.442 1.00 0.00 H new ATOM 0 HA ASP A 49 12.831 0.544 -7.230 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.818 2.024 -9.618 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.934 1.956 -8.269 1.00 0.00 H new ATOM 720 N GLY A 50 12.889 2.362 -5.501 1.00 0.00 N ATOM 721 CA GLY A 50 13.076 3.356 -4.457 1.00 0.00 C ATOM 722 C GLY A 50 11.785 3.566 -3.663 1.00 0.00 C ATOM 723 O GLY A 50 11.801 3.562 -2.433 1.00 0.00 O ATOM 0 H GLY A 50 12.549 1.458 -5.173 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.873 3.037 -3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.392 4.300 -4.901 1.00 0.00 H new ATOM 727 N TRP A 51 10.698 3.745 -4.399 1.00 0.00 N ATOM 728 CA TRP A 51 9.401 3.956 -3.778 1.00 0.00 C ATOM 729 C TRP A 51 8.398 3.013 -4.445 1.00 0.00 C ATOM 730 O TRP A 51 8.430 2.826 -5.661 1.00 0.00 O ATOM 731 CB TRP A 51 8.986 5.427 -3.863 1.00 0.00 C ATOM 732 CG TRP A 51 9.781 6.352 -2.940 1.00 0.00 C ATOM 733 CD1 TRP A 51 11.010 6.851 -3.132 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.351 6.872 -1.664 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.401 7.651 -2.078 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.360 7.664 -1.157 1.00 0.00 C ATOM 737 CE3 TRP A 51 8.148 6.679 -0.962 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.270 8.327 0.073 1.00 0.00 C ATOM 739 CZ3 TRP A 51 8.073 7.348 0.265 1.00 0.00 C ATOM 740 CH2 TRP A 51 9.081 8.149 0.790 1.00 0.00 C ATOM 0 H TRP A 51 10.688 3.748 -5.419 1.00 0.00 H new ATOM 0 HA TRP A 51 9.441 3.725 -2.713 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.104 5.768 -4.891 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.927 5.510 -3.619 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.618 6.652 -4.002 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.290 8.143 -1.991 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.345 6.063 -1.340 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 11.074 8.942 0.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 7.169 7.234 0.845 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.947 8.632 1.747 1.00 0.00 H new ATOM 751 N LEU A 52 7.531 2.443 -3.621 1.00 0.00 N ATOM 752 CA LEU A 52 6.521 1.524 -4.116 1.00 0.00 C ATOM 753 C LEU A 52 5.134 2.138 -3.912 1.00 0.00 C ATOM 754 O LEU A 52 4.736 2.418 -2.783 1.00 0.00 O ATOM 755 CB LEU A 52 6.685 0.148 -3.468 1.00 0.00 C ATOM 756 CG LEU A 52 8.122 -0.357 -3.322 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.772 -0.566 -4.691 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.945 0.578 -2.434 1.00 0.00 C ATOM 0 H LEU A 52 7.507 2.600 -2.613 1.00 0.00 H new ATOM 0 HA LEU A 52 6.645 1.364 -5.187 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.229 0.178 -2.478 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.124 -0.578 -4.056 1.00 0.00 H new ATOM 0 HG LEU A 52 8.093 -1.328 -2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.793 -0.925 -4.558 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.200 -1.301 -5.257 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.788 0.379 -5.234 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.962 0.196 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.968 1.574 -2.877 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.492 0.632 -1.444 1.00 0.00 H new ATOM 770 N TYR A 53 4.438 2.330 -5.023 1.00 0.00 N ATOM 771 CA TYR A 53 3.105 2.906 -4.980 1.00 0.00 C ATOM 772 C TYR A 53 2.040 1.815 -4.848 1.00 0.00 C ATOM 773 O TYR A 53 2.184 0.731 -5.410 1.00 0.00 O ATOM 774 CB TYR A 53 2.914 3.629 -6.315 1.00 0.00 C ATOM 775 CG TYR A 53 1.651 4.489 -6.382 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.512 5.577 -5.545 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.651 4.177 -7.281 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.323 6.387 -5.608 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.538 4.987 -7.344 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.643 6.052 -6.505 1.00 0.00 C ATOM 781 OH TYR A 53 -1.766 6.817 -6.565 1.00 0.00 O ATOM 0 H TYR A 53 4.772 2.097 -5.958 1.00 0.00 H new ATOM 0 HA TYR A 53 3.003 3.574 -4.125 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.782 4.261 -6.501 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.881 2.890 -7.115 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.295 5.821 -4.842 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.760 3.326 -7.937 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.201 7.241 -4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.329 4.754 -8.042 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.368 6.461 -7.251 1.00 0.00 H new ATOM 791 N GLY A 54 0.995 2.140 -4.101 1.00 0.00 N ATOM 792 CA GLY A 54 -0.093 1.202 -3.888 1.00 0.00 C ATOM 793 C GLY A 54 -1.309 1.901 -3.277 1.00 0.00 C ATOM 794 O GLY A 54 -1.340 3.127 -3.179 1.00 0.00 O ATOM 0 H GLY A 54 0.879 3.040 -3.636 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.372 0.742 -4.836 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.238 0.399 -3.229 1.00 0.00 H new ATOM 798 N GLU A 55 -2.282 1.092 -2.883 1.00 0.00 N ATOM 799 CA GLU A 55 -3.497 1.618 -2.285 1.00 0.00 C ATOM 800 C GLU A 55 -3.764 0.939 -0.941 1.00 0.00 C ATOM 801 O GLU A 55 -4.162 -0.224 -0.897 1.00 0.00 O ATOM 802 CB GLU A 55 -4.689 1.453 -3.229 1.00 0.00 C ATOM 803 CG GLU A 55 -6.008 1.703 -2.496 1.00 0.00 C ATOM 804 CD GLU A 55 -6.887 0.450 -2.507 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.039 -0.127 -3.605 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.387 0.098 -1.417 1.00 0.00 O ATOM 0 H GLU A 55 -2.253 0.076 -2.966 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.360 2.685 -2.110 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.595 2.148 -4.064 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.688 0.447 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.806 2.001 -1.467 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.540 2.529 -2.968 1.00 0.00 H new ATOM 813 N ARG A 56 -3.534 1.694 0.124 1.00 0.00 N ATOM 814 CA ARG A 56 -3.745 1.179 1.466 1.00 0.00 C ATOM 815 C ARG A 56 -5.206 0.762 1.651 1.00 0.00 C ATOM 816 O ARG A 56 -6.042 1.575 2.042 1.00 0.00 O ATOM 817 CB ARG A 56 -3.384 2.226 2.521 1.00 0.00 C ATOM 818 CG ARG A 56 -3.786 1.757 3.920 1.00 0.00 C ATOM 819 CD ARG A 56 -3.513 2.843 4.963 1.00 0.00 C ATOM 820 NE ARG A 56 -4.278 4.066 4.632 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.369 5.135 5.435 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.744 5.139 6.620 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.086 6.201 5.052 1.00 0.00 N ATOM 0 H ARG A 56 -3.204 2.658 0.084 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.097 0.312 1.594 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.312 2.421 2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -3.885 3.166 2.291 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.844 1.496 3.930 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.233 0.854 4.177 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.793 2.486 5.954 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.447 3.068 4.995 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.766 4.097 3.737 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.198 4.328 6.912 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.814 5.953 7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.562 6.198 4.150 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.156 7.015 5.663 1.00 0.00 H new ATOM 837 N LEU A 57 -5.467 -0.504 1.362 1.00 0.00 N ATOM 838 CA LEU A 57 -6.812 -1.039 1.492 1.00 0.00 C ATOM 839 C LEU A 57 -7.471 -0.454 2.743 1.00 0.00 C ATOM 840 O LEU A 57 -8.629 -0.041 2.704 1.00 0.00 O ATOM 841 CB LEU A 57 -6.785 -2.569 1.470 1.00 0.00 C ATOM 842 CG LEU A 57 -6.214 -3.211 0.205 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.598 -2.408 -1.040 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.700 -3.399 0.320 1.00 0.00 C ATOM 0 H LEU A 57 -4.770 -1.175 1.038 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.424 -0.741 0.640 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.202 -2.915 2.324 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.803 -2.933 1.611 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.655 -4.202 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.179 -2.887 -1.925 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.684 -2.370 -1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.205 -1.395 -0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.320 -3.857 -0.593 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.223 -2.430 0.465 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.477 -4.044 1.170 1.00 0.00 H new ATOM 856 N ARG A 58 -6.704 -0.436 3.823 1.00 0.00 N ATOM 857 CA ARG A 58 -7.198 0.092 5.083 1.00 0.00 C ATOM 858 C ARG A 58 -8.125 1.284 4.832 1.00 0.00 C ATOM 859 O ARG A 58 -9.321 1.214 5.110 1.00 0.00 O ATOM 860 CB ARG A 58 -6.045 0.533 5.986 1.00 0.00 C ATOM 861 CG ARG A 58 -6.496 0.628 7.445 1.00 0.00 C ATOM 862 CD ARG A 58 -5.300 0.842 8.376 1.00 0.00 C ATOM 863 NE ARG A 58 -5.745 0.809 9.787 1.00 0.00 N ATOM 864 CZ ARG A 58 -6.045 -0.314 10.454 1.00 0.00 C ATOM 865 NH1 ARG A 58 -5.949 -1.503 9.843 1.00 0.00 N ATOM 866 NH2 ARG A 58 -6.440 -0.249 11.733 1.00 0.00 N ATOM 0 H ARG A 58 -5.744 -0.779 3.851 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.751 -0.704 5.582 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.221 -0.176 5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.668 1.501 5.654 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.202 1.451 7.558 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.022 -0.284 7.727 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -4.552 0.068 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.825 1.799 8.158 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.829 1.696 10.283 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -5.647 -1.553 8.870 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.177 -2.357 10.351 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -6.512 0.655 12.199 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -6.668 -1.104 12.240 1.00 0.00 H new ATOM 880 N ASP A 59 -7.537 2.350 4.310 1.00 0.00 N ATOM 881 CA ASP A 59 -8.295 3.555 4.018 1.00 0.00 C ATOM 882 C ASP A 59 -8.361 3.757 2.503 1.00 0.00 C ATOM 883 O ASP A 59 -8.545 4.877 2.030 1.00 0.00 O ATOM 884 CB ASP A 59 -7.626 4.787 4.631 1.00 0.00 C ATOM 885 CG ASP A 59 -8.391 5.429 5.790 1.00 0.00 C ATOM 886 OD1 ASP A 59 -8.747 4.674 6.722 1.00 0.00 O ATOM 887 OD2 ASP A 59 -8.602 6.659 5.720 1.00 0.00 O ATOM 0 H ASP A 59 -6.544 2.405 4.082 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.292 3.437 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.633 4.506 4.982 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -7.488 5.534 3.849 1.00 0.00 H new ATOM 892 N GLY A 60 -8.206 2.655 1.784 1.00 0.00 N ATOM 893 CA GLY A 60 -8.246 2.696 0.333 1.00 0.00 C ATOM 894 C GLY A 60 -7.486 3.912 -0.202 1.00 0.00 C ATOM 895 O GLY A 60 -7.793 4.415 -1.282 1.00 0.00 O ATOM 0 H GLY A 60 -8.052 1.728 2.180 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.810 1.783 -0.072 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.282 2.732 -0.005 1.00 0.00 H new ATOM 899 N GLU A 61 -6.508 4.349 0.579 1.00 0.00 N ATOM 900 CA GLU A 61 -5.702 5.496 0.197 1.00 0.00 C ATOM 901 C GLU A 61 -4.587 5.067 -0.759 1.00 0.00 C ATOM 902 O GLU A 61 -3.902 4.075 -0.513 1.00 0.00 O ATOM 903 CB GLU A 61 -5.128 6.197 1.430 1.00 0.00 C ATOM 904 CG GLU A 61 -5.705 7.606 1.578 1.00 0.00 C ATOM 905 CD GLU A 61 -4.664 8.567 2.158 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.564 8.610 3.403 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.993 9.235 1.342 1.00 0.00 O ATOM 0 H GLU A 61 -6.256 3.929 1.474 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.343 6.210 -0.321 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.352 5.613 2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.042 6.251 1.349 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.039 7.970 0.606 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.581 7.578 2.227 1.00 0.00 H new ATOM 914 N THR A 62 -4.440 5.835 -1.828 1.00 0.00 N ATOM 915 CA THR A 62 -3.420 5.547 -2.822 1.00 0.00 C ATOM 916 C THR A 62 -2.296 6.583 -2.749 1.00 0.00 C ATOM 917 O THR A 62 -2.493 7.744 -3.106 1.00 0.00 O ATOM 918 CB THR A 62 -4.098 5.482 -4.191 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.441 5.106 -3.896 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.571 4.333 -5.053 1.00 0.00 C ATOM 0 H THR A 62 -5.010 6.657 -2.028 1.00 0.00 H new ATOM 0 HA THR A 62 -2.945 4.584 -2.633 1.00 0.00 H new ATOM 0 HB THR A 62 -3.948 6.426 -4.714 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.953 5.042 -4.729 1.00 0.00 H new ATOM 0 HG21 THR A 62 -4.086 4.333 -6.014 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.501 4.461 -5.215 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.750 3.385 -4.545 1.00 0.00 H new ATOM 928 N GLY A 63 -1.143 6.126 -2.284 1.00 0.00 N ATOM 929 CA GLY A 63 0.012 6.999 -2.159 1.00 0.00 C ATOM 930 C GLY A 63 1.310 6.233 -2.423 1.00 0.00 C ATOM 931 O GLY A 63 1.278 5.058 -2.785 1.00 0.00 O ATOM 0 H GLY A 63 -0.984 5.163 -1.989 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.075 7.827 -2.863 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.038 7.432 -1.159 1.00 0.00 H new ATOM 935 N TRP A 64 2.421 6.929 -2.230 1.00 0.00 N ATOM 936 CA TRP A 64 3.726 6.328 -2.442 1.00 0.00 C ATOM 937 C TRP A 64 4.251 5.847 -1.088 1.00 0.00 C ATOM 938 O TRP A 64 4.299 6.615 -0.128 1.00 0.00 O ATOM 939 CB TRP A 64 4.674 7.308 -3.137 1.00 0.00 C ATOM 940 CG TRP A 64 4.442 7.436 -4.644 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.697 8.343 -5.290 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.994 6.588 -5.673 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.727 8.142 -6.655 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.541 7.041 -6.895 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.847 5.475 -5.575 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.887 6.441 -8.112 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.184 4.886 -6.800 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.736 5.330 -8.039 1.00 0.00 C ATOM 0 H TRP A 64 2.444 7.903 -1.929 1.00 0.00 H new ATOM 0 HA TRP A 64 3.652 5.470 -3.111 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.564 8.291 -2.678 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.702 6.988 -2.964 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.143 9.132 -4.804 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.241 8.699 -7.358 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.214 5.103 -4.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.519 6.815 -9.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.838 4.027 -6.781 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.041 4.820 -8.941 1.00 0.00 H new ATOM 959 N PHE A 65 4.632 4.579 -1.054 1.00 0.00 N ATOM 960 CA PHE A 65 5.152 3.986 0.167 1.00 0.00 C ATOM 961 C PHE A 65 6.459 3.237 -0.101 1.00 0.00 C ATOM 962 O PHE A 65 6.551 2.460 -1.049 1.00 0.00 O ATOM 963 CB PHE A 65 4.101 2.992 0.664 1.00 0.00 C ATOM 964 CG PHE A 65 4.142 1.636 -0.045 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.167 0.775 0.193 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.153 1.293 -0.913 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.205 -0.483 -0.466 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.191 0.036 -1.571 1.00 0.00 C ATOM 969 CZ PHE A 65 4.216 -0.826 -1.334 1.00 0.00 C ATOM 0 H PHE A 65 4.591 3.945 -1.852 1.00 0.00 H new ATOM 0 HA PHE A 65 5.355 4.765 0.902 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.241 2.836 1.734 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.111 3.429 0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.952 1.047 0.883 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.339 1.977 -1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 65 6.019 -1.167 -0.278 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.405 -0.236 -2.260 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.244 -1.782 -1.835 1.00 0.00 H new ATOM 979 N PRO A 66 7.464 3.504 0.776 1.00 0.00 N ATOM 980 CA PRO A 66 8.762 2.865 0.644 1.00 0.00 C ATOM 981 C PRO A 66 8.704 1.406 1.102 1.00 0.00 C ATOM 982 O PRO A 66 7.955 1.069 2.018 1.00 0.00 O ATOM 983 CB PRO A 66 9.706 3.713 1.480 1.00 0.00 C ATOM 984 CG PRO A 66 8.822 4.518 2.418 1.00 0.00 C ATOM 985 CD PRO A 66 7.392 4.419 1.911 1.00 0.00 C ATOM 0 HA PRO A 66 9.103 2.816 -0.390 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.401 3.087 2.039 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.305 4.369 0.848 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.894 4.132 3.435 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.145 5.559 2.448 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.723 4.040 2.684 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.010 5.394 1.610 1.00 0.00 H new ATOM 993 N GLU A 67 9.504 0.580 0.444 1.00 0.00 N ATOM 994 CA GLU A 67 9.553 -0.835 0.773 1.00 0.00 C ATOM 995 C GLU A 67 10.126 -1.034 2.177 1.00 0.00 C ATOM 996 O GLU A 67 9.702 -1.931 2.903 1.00 0.00 O ATOM 997 CB GLU A 67 10.364 -1.611 -0.266 1.00 0.00 C ATOM 998 CG GLU A 67 11.656 -0.871 -0.618 1.00 0.00 C ATOM 999 CD GLU A 67 12.874 -1.782 -0.451 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.074 -2.259 0.686 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.577 -1.981 -1.466 1.00 0.00 O ATOM 0 H GLU A 67 10.123 0.863 -0.315 1.00 0.00 H new ATOM 0 HA GLU A 67 8.536 -1.227 0.759 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.602 -2.602 0.120 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.766 -1.754 -1.166 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.605 -0.512 -1.646 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.763 0.005 0.021 1.00 0.00 H new ATOM 1008 N ASP A 68 11.082 -0.182 2.518 1.00 0.00 N ATOM 1009 CA ASP A 68 11.718 -0.253 3.822 1.00 0.00 C ATOM 1010 C ASP A 68 10.641 -0.308 4.908 1.00 0.00 C ATOM 1011 O ASP A 68 10.874 -0.839 5.992 1.00 0.00 O ATOM 1012 CB ASP A 68 12.587 0.980 4.080 1.00 0.00 C ATOM 1013 CG ASP A 68 13.573 0.845 5.241 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.498 0.014 5.107 1.00 0.00 O ATOM 1015 OD2 ASP A 68 13.381 1.575 6.237 1.00 0.00 O ATOM 0 H ASP A 68 11.431 0.561 1.913 1.00 0.00 H new ATOM 0 HA ASP A 68 12.343 -1.145 3.843 1.00 0.00 H new ATOM 0 HB2 ASP A 68 13.146 1.208 3.173 1.00 0.00 H new ATOM 0 HB3 ASP A 68 11.935 1.831 4.274 1.00 0.00 H new ATOM 1020 N PHE A 69 9.485 0.249 4.578 1.00 0.00 N ATOM 1021 CA PHE A 69 8.372 0.271 5.511 1.00 0.00 C ATOM 1022 C PHE A 69 7.280 -0.714 5.085 1.00 0.00 C ATOM 1023 O PHE A 69 6.092 -0.417 5.201 1.00 0.00 O ATOM 1024 CB PHE A 69 7.798 1.689 5.491 1.00 0.00 C ATOM 1025 CG PHE A 69 8.750 2.753 6.041 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.855 3.109 5.333 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.492 3.343 7.239 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.739 4.096 5.843 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.375 4.330 7.750 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.480 4.686 7.041 1.00 0.00 C ATOM 0 H PHE A 69 9.295 0.688 3.677 1.00 0.00 H new ATOM 0 HA PHE A 69 8.715 -0.015 6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.533 1.948 4.466 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.876 1.705 6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.060 2.641 4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.615 3.060 7.802 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.616 4.378 5.280 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.170 4.798 8.701 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.152 5.437 7.429 1.00 0.00 H new ATOM 1040 N ALA A 70 7.723 -1.865 4.601 1.00 0.00 N ATOM 1041 CA ALA A 70 6.799 -2.895 4.158 1.00 0.00 C ATOM 1042 C ALA A 70 7.586 -4.150 3.776 1.00 0.00 C ATOM 1043 O ALA A 70 8.771 -4.071 3.457 1.00 0.00 O ATOM 1044 CB ALA A 70 5.957 -2.360 2.998 1.00 0.00 C ATOM 0 H ALA A 70 8.709 -2.107 4.506 1.00 0.00 H new ATOM 0 HA ALA A 70 6.114 -3.167 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.264 -3.132 2.665 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.395 -1.486 3.329 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.611 -2.080 2.172 1.00 0.00 H new ATOM 1050 N ARG A 71 6.895 -5.280 3.822 1.00 0.00 N ATOM 1051 CA ARG A 71 7.515 -6.550 3.485 1.00 0.00 C ATOM 1052 C ARG A 71 6.687 -7.280 2.425 1.00 0.00 C ATOM 1053 O ARG A 71 5.551 -7.676 2.683 1.00 0.00 O ATOM 1054 CB ARG A 71 7.648 -7.443 4.721 1.00 0.00 C ATOM 1055 CG ARG A 71 9.012 -7.253 5.388 1.00 0.00 C ATOM 1056 CD ARG A 71 9.462 -8.536 6.090 1.00 0.00 C ATOM 1057 NE ARG A 71 10.382 -9.296 5.215 1.00 0.00 N ATOM 1058 CZ ARG A 71 10.809 -10.540 5.473 1.00 0.00 C ATOM 1059 NH1 ARG A 71 10.399 -11.172 6.581 1.00 0.00 N ATOM 1060 NH2 ARG A 71 11.644 -11.151 4.622 1.00 0.00 N ATOM 0 H ARG A 71 5.912 -5.342 4.087 1.00 0.00 H new ATOM 0 HA ARG A 71 8.510 -6.340 3.093 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.855 -7.208 5.431 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.521 -8.487 4.436 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.750 -6.966 4.639 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.957 -6.439 6.111 1.00 0.00 H new ATOM 0 HD2 ARG A 71 9.959 -8.291 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 71 8.595 -9.148 6.338 1.00 0.00 H new ATOM 0 HE ARG A 71 10.712 -8.845 4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.762 -10.706 7.228 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.724 -12.119 6.778 1.00 0.00 H new ATOM 0 HH21 ARG A 71 11.955 -10.669 3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.969 -12.098 4.818 1.00 0.00 H new ATOM 1074 N PHE A 72 7.288 -7.435 1.254 1.00 0.00 N ATOM 1075 CA PHE A 72 6.621 -8.110 0.154 1.00 0.00 C ATOM 1076 C PHE A 72 6.114 -9.489 0.583 1.00 0.00 C ATOM 1077 O PHE A 72 6.895 -10.432 0.702 1.00 0.00 O ATOM 1078 CB PHE A 72 7.657 -8.285 -0.958 1.00 0.00 C ATOM 1079 CG PHE A 72 7.560 -7.237 -2.069 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.650 -7.388 -3.068 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.383 -6.154 -2.057 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.560 -6.416 -4.099 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.293 -5.182 -3.088 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.383 -5.334 -4.087 1.00 0.00 C ATOM 0 H PHE A 72 8.230 -7.105 1.043 1.00 0.00 H new ATOM 0 HA PHE A 72 5.764 -7.524 -0.177 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.655 -8.245 -0.521 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.541 -9.276 -1.396 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.996 -8.247 -3.077 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.105 -6.033 -1.263 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.838 -6.536 -4.893 1.00 0.00 H new ATOM 0 HE2 PHE A 72 8.947 -4.322 -3.079 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.314 -4.595 -4.871 1.00 0.00 H new