USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 406 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 69 GLN : amide:sc= -1.36 K(o=-1.4,f=-3.5) USER MOD Set 1.2: A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 157:sc= -0.0121 (180deg=-0.161) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 170:sc= 1.1 (180deg=1.02) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.425 USER MOD Single : A 50 ASN : amide:sc= -0.738 K(o=-0.74,f=-5!) USER MOD Single : A 51 THR OG1 : rot 156:sc= 0.172 USER MOD Single : A 57 ASN : amide:sc= -1.26 K(o=-1.3,f=-5.5!) USER MOD Single : A 60 CYS SG : rot -140:sc= -0.0028 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.69) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 8.376 9.151 5.542 1.00 0.00 N ATOM 230 CA VAL A 22 6.905 9.255 5.336 1.00 0.00 C ATOM 231 C VAL A 22 6.500 8.434 4.111 1.00 0.00 C ATOM 232 O VAL A 22 7.313 8.131 3.259 1.00 0.00 O ATOM 233 CB VAL A 22 6.523 10.721 5.117 1.00 0.00 C ATOM 234 CG1 VAL A 22 5.051 10.926 5.479 1.00 0.00 C ATOM 235 CG2 VAL A 22 7.394 11.611 6.006 1.00 0.00 C ATOM 0 HA VAL A 22 6.388 8.872 6.216 1.00 0.00 H new ATOM 0 HB VAL A 22 6.679 10.985 4.071 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.780 11.970 5.323 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.429 10.291 4.848 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.893 10.663 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 22 7.124 12.656 5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.237 11.346 7.052 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.443 11.466 5.749 1.00 0.00 H new ATOM 245 N VAL A 23 5.250 8.075 4.011 1.00 0.00 N ATOM 246 CA VAL A 23 4.794 7.277 2.840 1.00 0.00 C ATOM 247 C VAL A 23 4.120 8.207 1.833 1.00 0.00 C ATOM 248 O VAL A 23 3.557 9.222 2.194 1.00 0.00 O ATOM 249 CB VAL A 23 3.798 6.212 3.301 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.775 5.063 2.292 1.00 0.00 C ATOM 251 CG2 VAL A 23 4.223 5.675 4.671 1.00 0.00 C ATOM 0 H VAL A 23 4.524 8.301 4.691 1.00 0.00 H new ATOM 0 HA VAL A 23 5.650 6.789 2.373 1.00 0.00 H new ATOM 0 HB VAL A 23 2.804 6.653 3.374 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.065 4.304 2.621 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.474 5.442 1.315 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.769 4.622 2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.514 4.916 5.000 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.217 5.235 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.241 6.492 5.392 1.00 0.00 H new ATOM 261 N GLU A 24 4.174 7.877 0.575 1.00 0.00 N ATOM 262 CA GLU A 24 3.536 8.752 -0.446 1.00 0.00 C ATOM 263 C GLU A 24 2.183 8.166 -0.855 1.00 0.00 C ATOM 264 O GLU A 24 1.247 8.886 -1.145 1.00 0.00 O ATOM 265 CB GLU A 24 4.444 8.847 -1.674 1.00 0.00 C ATOM 266 CG GLU A 24 4.352 10.254 -2.268 1.00 0.00 C ATOM 267 CD GLU A 24 4.679 10.199 -3.761 1.00 0.00 C ATOM 268 OE1 GLU A 24 3.777 9.928 -4.536 1.00 0.00 O ATOM 269 OE2 GLU A 24 5.827 10.430 -4.105 1.00 0.00 O ATOM 0 H GLU A 24 4.631 7.042 0.209 1.00 0.00 H new ATOM 0 HA GLU A 24 3.385 9.746 -0.026 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.474 8.625 -1.396 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.147 8.107 -2.417 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.351 10.659 -2.119 1.00 0.00 H new ATOM 0 HG3 GLU A 24 5.045 10.922 -1.757 1.00 0.00 H new ATOM 276 N LYS A 25 2.069 6.866 -0.881 1.00 0.00 N ATOM 277 CA LYS A 25 0.773 6.243 -1.273 1.00 0.00 C ATOM 278 C LYS A 25 0.985 4.757 -1.570 1.00 0.00 C ATOM 279 O LYS A 25 2.100 4.294 -1.708 1.00 0.00 O ATOM 280 CB LYS A 25 0.233 6.939 -2.524 1.00 0.00 C ATOM 281 CG LYS A 25 -1.048 7.700 -2.174 1.00 0.00 C ATOM 282 CD LYS A 25 -1.641 8.312 -3.445 1.00 0.00 C ATOM 283 CE LYS A 25 -1.504 9.835 -3.392 1.00 0.00 C ATOM 284 NZ LYS A 25 -2.395 10.448 -4.416 1.00 0.00 N ATOM 0 H LYS A 25 2.815 6.210 -0.649 1.00 0.00 H new ATOM 0 HA LYS A 25 0.059 6.350 -0.457 1.00 0.00 H new ATOM 0 HB2 LYS A 25 0.980 7.627 -2.921 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.030 6.204 -3.303 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.769 7.026 -1.711 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.832 8.483 -1.447 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.127 7.921 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.691 8.034 -3.539 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.767 10.200 -2.399 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -0.469 10.125 -3.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.303 11.483 -4.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -2.124 10.108 -5.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.381 10.181 -4.222 1.00 0.00 H new ATOM 298 N VAL A 26 -0.078 4.006 -1.670 1.00 0.00 N ATOM 299 CA VAL A 26 0.062 2.550 -1.959 1.00 0.00 C ATOM 300 C VAL A 26 -0.038 2.321 -3.469 1.00 0.00 C ATOM 301 O VAL A 26 -1.026 2.654 -4.092 1.00 0.00 O ATOM 302 CB VAL A 26 -1.054 1.777 -1.252 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.578 0.357 -0.944 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.416 2.484 0.055 1.00 0.00 C ATOM 0 H VAL A 26 -1.037 4.337 -1.564 1.00 0.00 H new ATOM 0 HA VAL A 26 1.029 2.200 -1.599 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.930 1.735 -1.899 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.374 -0.192 -0.441 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -0.319 -0.150 -1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.299 0.399 -0.298 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.211 1.934 0.558 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.539 2.527 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.757 3.497 -0.161 1.00 0.00 H new ATOM 314 N LEU A 27 0.978 1.754 -4.062 1.00 0.00 N ATOM 315 CA LEU A 27 0.937 1.507 -5.531 1.00 0.00 C ATOM 316 C LEU A 27 0.440 0.086 -5.799 1.00 0.00 C ATOM 317 O LEU A 27 -0.083 -0.208 -6.856 1.00 0.00 O ATOM 318 CB LEU A 27 2.342 1.674 -6.114 1.00 0.00 C ATOM 319 CG LEU A 27 2.878 3.063 -5.766 1.00 0.00 C ATOM 320 CD1 LEU A 27 4.391 2.990 -5.557 1.00 0.00 C ATOM 321 CD2 LEU A 27 2.568 4.030 -6.912 1.00 0.00 C ATOM 0 H LEU A 27 1.832 1.452 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 27 0.260 2.221 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.006 0.906 -5.716 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.316 1.543 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 27 2.402 3.417 -4.851 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.772 3.981 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.613 2.301 -4.742 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.868 2.636 -6.471 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.950 5.021 -6.665 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.044 3.675 -7.826 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.490 4.083 -7.061 1.00 0.00 H new ATOM 333 N ASP A 28 0.599 -0.803 -4.855 1.00 0.00 N ATOM 334 CA ASP A 28 0.132 -2.202 -5.068 1.00 0.00 C ATOM 335 C ASP A 28 0.164 -2.963 -3.742 1.00 0.00 C ATOM 336 O ASP A 28 0.408 -2.398 -2.695 1.00 0.00 O ATOM 337 CB ASP A 28 1.049 -2.896 -6.077 1.00 0.00 C ATOM 338 CG ASP A 28 0.386 -2.891 -7.456 1.00 0.00 C ATOM 339 OD1 ASP A 28 -0.827 -2.788 -7.508 1.00 0.00 O ATOM 340 OD2 ASP A 28 1.105 -2.993 -8.437 1.00 0.00 O ATOM 0 H ASP A 28 1.031 -0.621 -3.949 1.00 0.00 H new ATOM 0 HA ASP A 28 -0.888 -2.188 -5.451 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.011 -2.385 -6.122 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.247 -3.920 -5.760 1.00 0.00 H new ATOM 345 N ARG A 29 -0.081 -4.245 -3.780 1.00 0.00 N ATOM 346 CA ARG A 29 -0.067 -5.046 -2.523 1.00 0.00 C ATOM 347 C ARG A 29 -0.092 -6.537 -2.870 1.00 0.00 C ATOM 348 O ARG A 29 -0.461 -6.923 -3.962 1.00 0.00 O ATOM 349 CB ARG A 29 -1.297 -4.698 -1.682 1.00 0.00 C ATOM 350 CG ARG A 29 -2.552 -5.253 -2.358 1.00 0.00 C ATOM 351 CD ARG A 29 -3.784 -4.891 -1.525 1.00 0.00 C ATOM 352 NE ARG A 29 -4.677 -6.078 -1.418 1.00 0.00 N ATOM 353 CZ ARG A 29 -5.662 -6.079 -0.562 1.00 0.00 C ATOM 354 NH1 ARG A 29 -6.192 -4.951 -0.176 1.00 0.00 N ATOM 355 NH2 ARG A 29 -6.116 -7.207 -0.091 1.00 0.00 N ATOM 0 H ARG A 29 -0.290 -4.772 -4.628 1.00 0.00 H new ATOM 0 HA ARG A 29 0.836 -4.818 -1.957 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.196 -5.116 -0.680 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.380 -3.617 -1.570 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.647 -4.844 -3.364 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.474 -6.335 -2.460 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.480 -4.560 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.318 -4.061 -1.988 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.519 -6.890 -2.014 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.836 -4.068 -0.543 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.962 -4.952 0.493 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.701 -8.089 -0.392 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.886 -7.207 0.578 1.00 0.00 H new ATOM 369 N ARG A 30 0.298 -7.377 -1.951 1.00 0.00 N ATOM 370 CA ARG A 30 0.295 -8.840 -2.232 1.00 0.00 C ATOM 371 C ARG A 30 0.204 -9.615 -0.916 1.00 0.00 C ATOM 372 O ARG A 30 -0.175 -9.078 0.107 1.00 0.00 O ATOM 373 CB ARG A 30 1.585 -9.223 -2.960 1.00 0.00 C ATOM 374 CG ARG A 30 2.787 -8.931 -2.059 1.00 0.00 C ATOM 375 CD ARG A 30 4.076 -9.036 -2.879 1.00 0.00 C ATOM 376 NE ARG A 30 5.214 -9.360 -1.974 1.00 0.00 N ATOM 377 CZ ARG A 30 5.746 -10.551 -1.996 1.00 0.00 C ATOM 378 NH1 ARG A 30 6.254 -11.019 -3.104 1.00 0.00 N ATOM 379 NH2 ARG A 30 5.770 -11.276 -0.912 1.00 0.00 N ATOM 0 H ARG A 30 0.618 -7.114 -1.019 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.563 -9.086 -2.858 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.565 -10.280 -3.226 1.00 0.00 H new ATOM 0 HB3 ARG A 30 1.670 -8.662 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.698 -7.934 -1.627 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.813 -9.637 -1.229 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.973 -9.808 -3.642 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.267 -8.097 -3.399 1.00 0.00 H new ATOM 0 HE ARG A 30 5.577 -8.651 -1.337 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.235 -10.453 -3.953 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.670 -11.950 -3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.373 -10.912 -0.046 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.186 -12.207 -0.930 1.00 0.00 H new ATOM 393 N VAL A 31 0.547 -10.874 -0.933 1.00 0.00 N ATOM 394 CA VAL A 31 0.481 -11.683 0.317 1.00 0.00 C ATOM 395 C VAL A 31 1.637 -12.688 0.332 1.00 0.00 C ATOM 396 O VAL A 31 1.942 -13.317 -0.661 1.00 0.00 O ATOM 397 CB VAL A 31 -0.873 -12.419 0.372 1.00 0.00 C ATOM 398 CG1 VAL A 31 -0.733 -13.766 1.095 1.00 0.00 C ATOM 399 CG2 VAL A 31 -1.883 -11.557 1.129 1.00 0.00 C ATOM 0 H VAL A 31 0.870 -11.378 -1.759 1.00 0.00 H new ATOM 0 HA VAL A 31 0.568 -11.034 1.189 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.211 -12.599 -0.649 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.701 -14.267 1.122 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.015 -14.391 0.564 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.384 -13.598 2.114 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.842 -12.073 1.171 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.522 -11.379 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.006 -10.604 0.615 1.00 0.00 H new ATOM 409 N VAL A 32 2.272 -12.849 1.460 1.00 0.00 N ATOM 410 CA VAL A 32 3.397 -13.820 1.552 1.00 0.00 C ATOM 411 C VAL A 32 2.843 -15.165 2.022 1.00 0.00 C ATOM 412 O VAL A 32 3.462 -16.197 1.861 1.00 0.00 O ATOM 413 CB VAL A 32 4.427 -13.313 2.561 1.00 0.00 C ATOM 414 CG1 VAL A 32 5.611 -14.279 2.613 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.918 -11.927 2.136 1.00 0.00 C ATOM 0 H VAL A 32 2.060 -12.349 2.323 1.00 0.00 H new ATOM 0 HA VAL A 32 3.874 -13.932 0.578 1.00 0.00 H new ATOM 0 HB VAL A 32 3.967 -13.250 3.547 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.345 -13.917 3.333 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.262 -15.266 2.916 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.071 -14.344 1.627 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.653 -11.565 2.855 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.377 -11.990 1.149 1.00 0.00 H new ATOM 0 HG23 VAL A 32 4.075 -11.237 2.100 1.00 0.00 H new ATOM 425 N LYS A 33 1.674 -15.152 2.602 1.00 0.00 N ATOM 426 CA LYS A 33 1.055 -16.414 3.092 1.00 0.00 C ATOM 427 C LYS A 33 -0.061 -16.065 4.078 1.00 0.00 C ATOM 428 O LYS A 33 -1.194 -16.474 3.922 1.00 0.00 O ATOM 429 CB LYS A 33 2.116 -17.271 3.794 1.00 0.00 C ATOM 430 CG LYS A 33 1.432 -18.336 4.654 1.00 0.00 C ATOM 431 CD LYS A 33 2.398 -19.496 4.901 1.00 0.00 C ATOM 432 CE LYS A 33 2.264 -20.521 3.775 1.00 0.00 C ATOM 433 NZ LYS A 33 2.421 -21.894 4.332 1.00 0.00 N ATOM 0 H LYS A 33 1.117 -14.312 2.758 1.00 0.00 H new ATOM 0 HA LYS A 33 0.645 -16.976 2.253 1.00 0.00 H new ATOM 0 HB2 LYS A 33 2.761 -17.746 3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 33 2.753 -16.642 4.416 1.00 0.00 H new ATOM 0 HG2 LYS A 33 1.117 -17.904 5.604 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.533 -18.698 4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 33 3.422 -19.126 4.950 1.00 0.00 H new ATOM 0 HD3 LYS A 33 2.182 -19.965 5.861 1.00 0.00 H new ATOM 0 HE2 LYS A 33 1.292 -20.422 3.292 1.00 0.00 H new ATOM 0 HE3 LYS A 33 3.019 -20.338 3.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 2.330 -22.592 3.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 3.358 -21.985 4.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 1.684 -22.065 5.046 1.00 0.00 H new ATOM 447 N GLY A 34 0.256 -15.310 5.092 1.00 0.00 N ATOM 448 CA GLY A 34 -0.778 -14.928 6.093 1.00 0.00 C ATOM 449 C GLY A 34 -0.407 -13.585 6.726 1.00 0.00 C ATOM 450 O GLY A 34 -0.914 -13.217 7.767 1.00 0.00 O ATOM 0 H GLY A 34 1.189 -14.940 5.271 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.755 -14.858 5.614 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -0.855 -15.696 6.863 1.00 0.00 H new ATOM 454 N LYS A 35 0.475 -12.848 6.105 1.00 0.00 N ATOM 455 CA LYS A 35 0.875 -11.530 6.675 1.00 0.00 C ATOM 456 C LYS A 35 0.389 -10.409 5.754 1.00 0.00 C ATOM 457 O LYS A 35 0.233 -9.277 6.167 1.00 0.00 O ATOM 458 CB LYS A 35 2.400 -11.468 6.793 1.00 0.00 C ATOM 459 CG LYS A 35 2.899 -12.674 7.593 1.00 0.00 C ATOM 460 CD LYS A 35 3.980 -12.223 8.577 1.00 0.00 C ATOM 461 CE LYS A 35 3.386 -12.135 9.984 1.00 0.00 C ATOM 462 NZ LYS A 35 3.167 -13.510 10.517 1.00 0.00 N ATOM 0 H LYS A 35 0.934 -13.101 5.230 1.00 0.00 H new ATOM 0 HA LYS A 35 0.429 -11.409 7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.852 -11.463 5.801 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.700 -10.543 7.284 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.071 -13.134 8.132 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.299 -13.431 6.918 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.813 -12.926 8.566 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.377 -11.253 8.277 1.00 0.00 H new ATOM 0 HE2 LYS A 35 4.058 -11.582 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.443 -11.589 9.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 3.144 -13.480 11.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.263 -13.880 10.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 3.941 -14.130 10.206 1.00 0.00 H new ATOM 476 N VAL A 36 0.146 -10.715 4.509 1.00 0.00 N ATOM 477 CA VAL A 36 -0.333 -9.667 3.563 1.00 0.00 C ATOM 478 C VAL A 36 0.658 -8.500 3.550 1.00 0.00 C ATOM 479 O VAL A 36 0.743 -7.735 4.490 1.00 0.00 O ATOM 480 CB VAL A 36 -1.705 -9.164 4.012 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.139 -7.998 3.122 1.00 0.00 C ATOM 482 CG2 VAL A 36 -2.725 -10.299 3.897 1.00 0.00 C ATOM 0 H VAL A 36 0.258 -11.645 4.106 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.410 -10.090 2.561 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.648 -8.828 5.047 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.117 -7.640 3.443 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.413 -7.189 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.197 -8.333 2.086 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -3.704 -9.942 4.217 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -2.781 -10.634 2.861 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.417 -11.131 4.531 1.00 0.00 H new ATOM 492 N GLU A 37 1.404 -8.357 2.490 1.00 0.00 N ATOM 493 CA GLU A 37 2.386 -7.238 2.416 1.00 0.00 C ATOM 494 C GLU A 37 1.765 -6.068 1.651 1.00 0.00 C ATOM 495 O GLU A 37 0.657 -6.154 1.158 1.00 0.00 O ATOM 496 CB GLU A 37 3.647 -7.711 1.689 1.00 0.00 C ATOM 497 CG GLU A 37 4.868 -7.475 2.581 1.00 0.00 C ATOM 498 CD GLU A 37 5.800 -8.686 2.499 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.661 -9.454 1.562 1.00 0.00 O ATOM 500 OE2 GLU A 37 6.635 -8.824 3.377 1.00 0.00 O ATOM 0 H GLU A 37 1.377 -8.966 1.672 1.00 0.00 H new ATOM 0 HA GLU A 37 2.648 -6.917 3.424 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.562 -8.769 1.442 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.761 -7.173 0.748 1.00 0.00 H new ATOM 0 HG2 GLU A 37 5.395 -6.575 2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 37 4.553 -7.314 3.612 1.00 0.00 H new ATOM 507 N TYR A 38 2.468 -4.973 1.548 1.00 0.00 N ATOM 508 CA TYR A 38 1.913 -3.801 0.816 1.00 0.00 C ATOM 509 C TYR A 38 3.057 -3.002 0.189 1.00 0.00 C ATOM 510 O TYR A 38 4.041 -2.697 0.833 1.00 0.00 O ATOM 511 CB TYR A 38 1.145 -2.907 1.791 1.00 0.00 C ATOM 512 CG TYR A 38 -0.238 -3.471 2.012 1.00 0.00 C ATOM 513 CD1 TYR A 38 -0.456 -4.413 3.026 1.00 0.00 C ATOM 514 CD2 TYR A 38 -1.304 -3.052 1.205 1.00 0.00 C ATOM 515 CE1 TYR A 38 -1.739 -4.937 3.232 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.587 -3.575 1.411 1.00 0.00 C ATOM 517 CZ TYR A 38 -2.805 -4.518 2.424 1.00 0.00 C ATOM 518 OH TYR A 38 -4.069 -5.033 2.627 1.00 0.00 O ATOM 0 H TYR A 38 3.401 -4.840 1.939 1.00 0.00 H new ATOM 0 HA TYR A 38 1.240 -4.149 0.033 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.679 -2.843 2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.077 -1.894 1.395 1.00 0.00 H new ATOM 0 HD1 TYR A 38 0.365 -4.735 3.649 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.136 -2.325 0.424 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.907 -5.664 4.013 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -3.408 -3.251 0.789 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.691 -4.636 1.982 1.00 0.00 H new ATOM 528 N LEU A 39 2.936 -2.658 -1.064 1.00 0.00 N ATOM 529 CA LEU A 39 4.015 -1.877 -1.730 1.00 0.00 C ATOM 530 C LEU A 39 3.596 -0.409 -1.817 1.00 0.00 C ATOM 531 O LEU A 39 2.594 -0.075 -2.418 1.00 0.00 O ATOM 532 CB LEU A 39 4.250 -2.427 -3.139 1.00 0.00 C ATOM 533 CG LEU A 39 5.372 -1.638 -3.813 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.556 -2.565 -4.089 1.00 0.00 C ATOM 535 CD2 LEU A 39 4.864 -1.055 -5.133 1.00 0.00 C ATOM 0 H LEU A 39 2.136 -2.884 -1.655 1.00 0.00 H new ATOM 0 HA LEU A 39 4.936 -1.960 -1.152 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.513 -3.484 -3.089 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.335 -2.353 -3.727 1.00 0.00 H new ATOM 0 HG LEU A 39 5.690 -0.829 -3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.355 -2.001 -4.570 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.920 -2.981 -3.149 1.00 0.00 H new ATOM 0 HD13 LEU A 39 6.238 -3.375 -4.745 1.00 0.00 H new ATOM 0 HD21 LEU A 39 5.664 -0.492 -5.614 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.545 -1.865 -5.789 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.021 -0.392 -4.938 1.00 0.00 H new ATOM 547 N LEU A 40 4.352 0.471 -1.220 1.00 0.00 N ATOM 548 CA LEU A 40 3.993 1.915 -1.268 1.00 0.00 C ATOM 549 C LEU A 40 5.241 2.744 -1.579 1.00 0.00 C ATOM 550 O LEU A 40 6.336 2.225 -1.662 1.00 0.00 O ATOM 551 CB LEU A 40 3.421 2.342 0.086 1.00 0.00 C ATOM 552 CG LEU A 40 2.577 1.205 0.665 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.465 0.288 1.507 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.470 1.790 1.544 1.00 0.00 C ATOM 0 H LEU A 40 5.202 0.252 -0.701 1.00 0.00 H new ATOM 0 HA LEU A 40 3.248 2.078 -2.047 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.230 2.594 0.771 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.812 3.238 -0.031 1.00 0.00 H new ATOM 0 HG LEU A 40 2.132 0.632 -0.148 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.864 -0.522 1.920 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.255 -0.128 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.910 0.860 2.321 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.868 0.981 1.957 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.916 2.363 2.357 1.00 0.00 H new ATOM 0 HD23 LEU A 40 0.837 2.444 0.944 1.00 0.00 H new ATOM 566 N LYS A 41 5.085 4.028 -1.747 1.00 0.00 N ATOM 567 CA LYS A 41 6.262 4.888 -2.050 1.00 0.00 C ATOM 568 C LYS A 41 6.820 5.459 -0.745 1.00 0.00 C ATOM 569 O LYS A 41 6.313 5.191 0.326 1.00 0.00 O ATOM 570 CB LYS A 41 5.834 6.036 -2.968 1.00 0.00 C ATOM 571 CG LYS A 41 6.714 6.045 -4.220 1.00 0.00 C ATOM 572 CD LYS A 41 6.021 6.842 -5.326 1.00 0.00 C ATOM 573 CE LYS A 41 5.643 5.902 -6.472 1.00 0.00 C ATOM 574 NZ LYS A 41 5.776 6.623 -7.770 1.00 0.00 N ATOM 0 H LYS A 41 4.193 4.519 -1.687 1.00 0.00 H new ATOM 0 HA LYS A 41 7.029 4.295 -2.547 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.787 5.921 -3.248 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.921 6.987 -2.443 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.684 6.487 -3.992 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.899 5.024 -4.554 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.129 7.330 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 41 6.681 7.629 -5.690 1.00 0.00 H new ATOM 0 HE2 LYS A 41 6.288 5.023 -6.464 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.620 5.548 -6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.686 5.946 -8.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 5.029 7.342 -7.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.707 7.085 -7.817 1.00 0.00 H new ATOM 588 N TRP A 42 7.860 6.241 -0.825 1.00 0.00 N ATOM 589 CA TRP A 42 8.446 6.825 0.414 1.00 0.00 C ATOM 590 C TRP A 42 9.178 8.124 0.070 1.00 0.00 C ATOM 591 O TRP A 42 10.200 8.117 -0.587 1.00 0.00 O ATOM 592 CB TRP A 42 9.432 5.829 1.028 1.00 0.00 C ATOM 593 CG TRP A 42 8.708 4.568 1.379 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.650 3.462 0.601 1.00 0.00 C ATOM 595 CD2 TRP A 42 7.939 4.264 2.578 1.00 0.00 C ATOM 596 NE1 TRP A 42 7.894 2.500 1.246 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.434 2.946 2.468 1.00 0.00 C ATOM 598 CE3 TRP A 42 7.633 4.998 3.742 1.00 0.00 C ATOM 599 CZ2 TRP A 42 6.654 2.376 3.477 1.00 0.00 C ATOM 600 CZ3 TRP A 42 6.847 4.427 4.758 1.00 0.00 C ATOM 601 CH2 TRP A 42 6.359 3.119 4.624 1.00 0.00 C ATOM 0 H TRP A 42 8.329 6.501 -1.693 1.00 0.00 H new ATOM 0 HA TRP A 42 7.651 7.037 1.129 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.237 5.616 0.324 1.00 0.00 H new ATOM 0 HB3 TRP A 42 9.892 6.257 1.918 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.118 3.349 -0.366 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.700 1.574 0.865 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.005 6.006 3.854 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.281 1.368 3.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 6.618 4.998 5.646 1.00 0.00 H new ATOM 0 HH2 TRP A 42 5.755 2.685 5.407 1.00 0.00 H new ATOM 612 N LYS A 43 8.660 9.238 0.508 1.00 0.00 N ATOM 613 CA LYS A 43 9.324 10.538 0.206 1.00 0.00 C ATOM 614 C LYS A 43 10.602 10.666 1.038 1.00 0.00 C ATOM 615 O LYS A 43 10.736 10.063 2.084 1.00 0.00 O ATOM 616 CB LYS A 43 8.375 11.688 0.551 1.00 0.00 C ATOM 617 CG LYS A 43 8.125 11.707 2.061 1.00 0.00 C ATOM 618 CD LYS A 43 9.008 12.774 2.710 1.00 0.00 C ATOM 619 CE LYS A 43 8.421 14.160 2.437 1.00 0.00 C ATOM 620 NZ LYS A 43 7.653 14.618 3.629 1.00 0.00 N ATOM 0 H LYS A 43 7.806 9.305 1.062 1.00 0.00 H new ATOM 0 HA LYS A 43 9.575 10.578 -0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.805 12.637 0.231 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.432 11.569 0.017 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.075 11.916 2.264 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.344 10.729 2.489 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.075 12.601 3.784 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.021 12.712 2.314 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.220 14.867 2.212 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.770 14.125 1.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.254 15.560 3.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.882 13.948 3.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 8.286 14.666 4.453 1.00 0.00 H new ATOM 634 N GLY A 44 11.542 11.447 0.580 1.00 0.00 N ATOM 635 CA GLY A 44 12.811 11.612 1.345 1.00 0.00 C ATOM 636 C GLY A 44 13.926 10.822 0.662 1.00 0.00 C ATOM 637 O GLY A 44 15.087 11.174 0.738 1.00 0.00 O ATOM 0 H GLY A 44 11.487 11.977 -0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.080 12.667 1.400 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.678 11.263 2.369 1.00 0.00 H new ATOM 641 N PHE A 45 13.585 9.753 -0.006 1.00 0.00 N ATOM 642 CA PHE A 45 14.627 8.940 -0.694 1.00 0.00 C ATOM 643 C PHE A 45 14.450 9.062 -2.209 1.00 0.00 C ATOM 644 O PHE A 45 15.408 9.083 -2.956 1.00 0.00 O ATOM 645 CB PHE A 45 14.486 7.474 -0.280 1.00 0.00 C ATOM 646 CG PHE A 45 14.121 7.394 1.183 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.127 7.397 2.158 1.00 0.00 C ATOM 648 CD2 PHE A 45 12.774 7.317 1.564 1.00 0.00 C ATOM 649 CE1 PHE A 45 14.787 7.324 3.515 1.00 0.00 C ATOM 650 CE2 PHE A 45 12.435 7.243 2.922 1.00 0.00 C ATOM 651 CZ PHE A 45 13.440 7.247 3.897 1.00 0.00 C ATOM 0 H PHE A 45 12.630 9.408 -0.105 1.00 0.00 H new ATOM 0 HA PHE A 45 15.616 9.303 -0.413 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.720 6.987 -0.884 1.00 0.00 H new ATOM 0 HB3 PHE A 45 15.420 6.943 -0.462 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.164 7.456 1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.999 7.315 0.812 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.562 7.327 4.267 1.00 0.00 H new ATOM 0 HE2 PHE A 45 11.398 7.183 3.217 1.00 0.00 H new ATOM 0 HZ PHE A 45 13.178 7.191 4.943 1.00 0.00 H new ATOM 661 N SER A 46 13.231 9.141 -2.668 1.00 0.00 N ATOM 662 CA SER A 46 12.994 9.261 -4.133 1.00 0.00 C ATOM 663 C SER A 46 11.489 9.224 -4.411 1.00 0.00 C ATOM 664 O SER A 46 10.679 9.248 -3.505 1.00 0.00 O ATOM 665 CB SER A 46 13.673 8.097 -4.857 1.00 0.00 C ATOM 666 OG SER A 46 13.780 6.992 -3.969 1.00 0.00 O ATOM 0 H SER A 46 12.390 9.128 -2.091 1.00 0.00 H new ATOM 0 HA SER A 46 13.408 10.204 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 46 13.097 7.816 -5.739 1.00 0.00 H new ATOM 0 HB3 SER A 46 14.662 8.396 -5.205 1.00 0.00 H new ATOM 0 HG SER A 46 14.213 6.243 -4.429 1.00 0.00 H new ATOM 672 N ASP A 47 11.107 9.165 -5.658 1.00 0.00 N ATOM 673 CA ASP A 47 9.655 9.125 -5.991 1.00 0.00 C ATOM 674 C ASP A 47 9.240 7.685 -6.293 1.00 0.00 C ATOM 675 O ASP A 47 8.308 7.439 -7.033 1.00 0.00 O ATOM 676 CB ASP A 47 9.389 10.002 -7.217 1.00 0.00 C ATOM 677 CG ASP A 47 8.014 10.658 -7.087 1.00 0.00 C ATOM 678 OD1 ASP A 47 7.851 11.477 -6.197 1.00 0.00 O ATOM 679 OD2 ASP A 47 7.145 10.330 -7.879 1.00 0.00 O ATOM 0 H ASP A 47 11.737 9.143 -6.460 1.00 0.00 H new ATOM 0 HA ASP A 47 9.078 9.498 -5.145 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.161 10.766 -7.305 1.00 0.00 H new ATOM 0 HB3 ASP A 47 9.432 9.400 -8.124 1.00 0.00 H new ATOM 684 N GLU A 48 9.923 6.729 -5.723 1.00 0.00 N ATOM 685 CA GLU A 48 9.567 5.305 -5.976 1.00 0.00 C ATOM 686 C GLU A 48 10.688 4.401 -5.461 1.00 0.00 C ATOM 687 O GLU A 48 11.522 3.940 -6.215 1.00 0.00 O ATOM 688 CB GLU A 48 9.381 5.084 -7.479 1.00 0.00 C ATOM 689 CG GLU A 48 10.492 5.807 -8.245 1.00 0.00 C ATOM 690 CD GLU A 48 11.359 4.781 -8.976 1.00 0.00 C ATOM 691 OE1 GLU A 48 10.879 4.208 -9.939 1.00 0.00 O ATOM 692 OE2 GLU A 48 12.490 4.587 -8.561 1.00 0.00 O ATOM 0 H GLU A 48 10.712 6.874 -5.093 1.00 0.00 H new ATOM 0 HA GLU A 48 8.639 5.064 -5.457 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.403 4.018 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.406 5.457 -7.794 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.059 6.508 -8.959 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.103 6.390 -7.556 1.00 0.00 H new ATOM 699 N ASP A 49 10.714 4.142 -4.182 1.00 0.00 N ATOM 700 CA ASP A 49 11.781 3.267 -3.621 1.00 0.00 C ATOM 701 C ASP A 49 11.280 1.823 -3.575 1.00 0.00 C ATOM 702 O ASP A 49 12.040 0.898 -3.365 1.00 0.00 O ATOM 703 CB ASP A 49 12.132 3.736 -2.207 1.00 0.00 C ATOM 704 CG ASP A 49 13.607 3.446 -1.925 1.00 0.00 C ATOM 705 OD1 ASP A 49 14.431 4.275 -2.275 1.00 0.00 O ATOM 706 OD2 ASP A 49 13.888 2.401 -1.363 1.00 0.00 O ATOM 0 H ASP A 49 10.043 4.499 -3.502 1.00 0.00 H new ATOM 0 HA ASP A 49 12.669 3.322 -4.250 1.00 0.00 H new ATOM 0 HB2 ASP A 49 11.935 4.803 -2.107 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.504 3.226 -1.477 1.00 0.00 H new ATOM 711 N ASN A 50 10.006 1.622 -3.770 1.00 0.00 N ATOM 712 CA ASN A 50 9.454 0.238 -3.739 1.00 0.00 C ATOM 713 C ASN A 50 9.767 -0.409 -2.389 1.00 0.00 C ATOM 714 O ASN A 50 10.907 -0.683 -2.070 1.00 0.00 O ATOM 715 CB ASN A 50 10.090 -0.588 -4.860 1.00 0.00 C ATOM 716 CG ASN A 50 9.914 0.139 -6.194 1.00 0.00 C ATOM 717 OD1 ASN A 50 10.386 1.245 -6.362 1.00 0.00 O ATOM 718 ND2 ASN A 50 9.249 -0.440 -7.156 1.00 0.00 N ATOM 0 H ASN A 50 9.322 2.357 -3.950 1.00 0.00 H new ATOM 0 HA ASN A 50 8.374 0.275 -3.880 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.149 -0.743 -4.655 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.627 -1.574 -4.907 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.126 0.037 -8.049 1.00 0.00 H new ATOM 0 HD22 ASN A 50 8.853 -1.369 -7.015 1.00 0.00 H new ATOM 725 N THR A 51 8.763 -0.658 -1.594 1.00 0.00 N ATOM 726 CA THR A 51 9.003 -1.287 -0.265 1.00 0.00 C ATOM 727 C THR A 51 7.777 -2.109 0.138 1.00 0.00 C ATOM 728 O THR A 51 6.670 -1.608 0.187 1.00 0.00 O ATOM 729 CB THR A 51 9.253 -0.197 0.779 1.00 0.00 C ATOM 730 OG1 THR A 51 9.565 1.023 0.122 1.00 0.00 O ATOM 731 CG2 THR A 51 10.420 -0.608 1.678 1.00 0.00 C ATOM 0 H THR A 51 7.787 -0.453 -1.807 1.00 0.00 H new ATOM 0 HA THR A 51 9.875 -1.939 -0.324 1.00 0.00 H new ATOM 0 HB THR A 51 8.358 -0.064 1.387 1.00 0.00 H new ATOM 0 HG1 THR A 51 9.345 1.776 0.709 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.598 0.169 2.422 1.00 0.00 H new ATOM 0 HG22 THR A 51 10.179 -1.544 2.182 1.00 0.00 H new ATOM 0 HG23 THR A 51 11.316 -0.742 1.072 1.00 0.00 H new ATOM 739 N TRP A 52 7.965 -3.367 0.427 1.00 0.00 N ATOM 740 CA TRP A 52 6.811 -4.221 0.828 1.00 0.00 C ATOM 741 C TRP A 52 6.801 -4.382 2.349 1.00 0.00 C ATOM 742 O TRP A 52 7.612 -5.088 2.913 1.00 0.00 O ATOM 743 CB TRP A 52 6.941 -5.596 0.171 1.00 0.00 C ATOM 744 CG TRP A 52 6.843 -5.452 -1.314 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.876 -5.160 -2.139 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.670 -5.591 -2.167 1.00 0.00 C ATOM 747 NE1 TRP A 52 7.410 -5.110 -3.437 1.00 0.00 N ATOM 748 CE2 TRP A 52 6.063 -5.367 -3.506 1.00 0.00 C ATOM 749 CE3 TRP A 52 4.315 -5.884 -1.914 1.00 0.00 C ATOM 750 CZ2 TRP A 52 5.159 -5.430 -4.556 1.00 0.00 C ATOM 751 CZ3 TRP A 52 3.393 -5.950 -2.975 1.00 0.00 C ATOM 752 CH2 TRP A 52 3.815 -5.723 -4.295 1.00 0.00 C ATOM 0 H TRP A 52 8.868 -3.841 0.403 1.00 0.00 H new ATOM 0 HA TRP A 52 5.882 -3.751 0.506 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.894 -6.051 0.441 1.00 0.00 H new ATOM 0 HB3 TRP A 52 6.157 -6.260 0.535 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.898 -4.993 -1.832 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.995 -4.907 -4.247 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.983 -6.059 -0.901 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 5.490 -5.254 -5.569 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 2.356 -6.176 -2.773 1.00 0.00 H new ATOM 0 HH2 TRP A 52 3.105 -5.774 -5.107 1.00 0.00 H new ATOM 763 N GLU A 53 5.888 -3.733 3.019 1.00 0.00 N ATOM 764 CA GLU A 53 5.827 -3.851 4.502 1.00 0.00 C ATOM 765 C GLU A 53 4.608 -4.690 4.897 1.00 0.00 C ATOM 766 O GLU A 53 3.640 -4.756 4.166 1.00 0.00 O ATOM 767 CB GLU A 53 5.709 -2.456 5.121 1.00 0.00 C ATOM 768 CG GLU A 53 7.054 -2.049 5.724 1.00 0.00 C ATOM 769 CD GLU A 53 7.935 -1.429 4.638 1.00 0.00 C ATOM 770 OE1 GLU A 53 7.709 -1.730 3.478 1.00 0.00 O ATOM 771 OE2 GLU A 53 8.819 -0.664 4.986 1.00 0.00 O ATOM 0 H GLU A 53 5.182 -3.126 2.603 1.00 0.00 H new ATOM 0 HA GLU A 53 6.734 -4.334 4.866 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.406 -1.735 4.362 1.00 0.00 H new ATOM 0 HB3 GLU A 53 4.937 -2.452 5.891 1.00 0.00 H new ATOM 0 HG2 GLU A 53 6.900 -1.335 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.549 -2.919 6.156 1.00 0.00 H new ATOM 778 N PRO A 54 4.696 -5.308 6.047 1.00 0.00 N ATOM 779 CA PRO A 54 3.615 -6.156 6.576 1.00 0.00 C ATOM 780 C PRO A 54 2.498 -5.289 7.167 1.00 0.00 C ATOM 781 O PRO A 54 2.737 -4.209 7.670 1.00 0.00 O ATOM 782 CB PRO A 54 4.305 -6.978 7.668 1.00 0.00 C ATOM 783 CG PRO A 54 5.561 -6.176 8.088 1.00 0.00 C ATOM 784 CD PRO A 54 5.881 -5.218 6.924 1.00 0.00 C ATOM 0 HA PRO A 54 3.145 -6.779 5.815 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.640 -7.132 8.518 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.580 -7.965 7.296 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.376 -5.620 9.007 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.400 -6.844 8.282 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.038 -4.199 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.789 -5.517 6.400 1.00 0.00 H new ATOM 792 N GLU A 55 1.280 -5.753 7.107 1.00 0.00 N ATOM 793 CA GLU A 55 0.150 -4.955 7.662 1.00 0.00 C ATOM 794 C GLU A 55 0.084 -5.146 9.180 1.00 0.00 C ATOM 795 O GLU A 55 -0.729 -4.545 9.854 1.00 0.00 O ATOM 796 CB GLU A 55 -1.163 -5.425 7.032 1.00 0.00 C ATOM 797 CG GLU A 55 -1.374 -6.909 7.339 1.00 0.00 C ATOM 798 CD GLU A 55 -2.358 -7.056 8.502 1.00 0.00 C ATOM 799 OE1 GLU A 55 -3.468 -6.565 8.378 1.00 0.00 O ATOM 800 OE2 GLU A 55 -1.985 -7.656 9.496 1.00 0.00 O ATOM 0 H GLU A 55 1.018 -6.650 6.698 1.00 0.00 H new ATOM 0 HA GLU A 55 0.306 -3.900 7.436 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.996 -4.840 7.422 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.139 -5.266 5.954 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -1.758 -7.422 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.423 -7.378 7.592 1.00 0.00 H new ATOM 807 N GLU A 56 0.932 -5.976 9.724 1.00 0.00 N ATOM 808 CA GLU A 56 0.912 -6.201 11.197 1.00 0.00 C ATOM 809 C GLU A 56 1.760 -5.132 11.892 1.00 0.00 C ATOM 810 O GLU A 56 1.897 -5.124 13.099 1.00 0.00 O ATOM 811 CB GLU A 56 1.484 -7.586 11.508 1.00 0.00 C ATOM 812 CG GLU A 56 0.838 -8.623 10.587 1.00 0.00 C ATOM 813 CD GLU A 56 1.022 -10.019 11.183 1.00 0.00 C ATOM 814 OE1 GLU A 56 2.086 -10.278 11.719 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.093 -10.806 11.095 1.00 0.00 O ATOM 0 H GLU A 56 1.637 -6.507 9.213 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.114 -6.140 11.558 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.565 -7.584 11.369 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.297 -7.843 12.551 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.223 -8.405 10.464 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.290 -8.577 9.596 1.00 0.00 H new ATOM 822 N ASN A 57 2.329 -4.228 11.142 1.00 0.00 N ATOM 823 CA ASN A 57 3.166 -3.164 11.764 1.00 0.00 C ATOM 824 C ASN A 57 2.859 -1.820 11.099 1.00 0.00 C ATOM 825 O ASN A 57 2.753 -0.802 11.753 1.00 0.00 O ATOM 826 CB ASN A 57 4.646 -3.500 11.573 1.00 0.00 C ATOM 827 CG ASN A 57 4.908 -4.936 12.030 1.00 0.00 C ATOM 828 OD1 ASN A 57 5.050 -5.828 11.217 1.00 0.00 O ATOM 829 ND2 ASN A 57 4.978 -5.199 13.306 1.00 0.00 N ATOM 0 H ASN A 57 2.250 -4.181 10.126 1.00 0.00 H new ATOM 0 HA ASN A 57 2.942 -3.103 12.829 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.923 -3.385 10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.264 -2.807 12.145 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.152 -6.153 13.621 1.00 0.00 H new ATOM 0 HD22 ASN A 57 4.859 -4.450 13.988 1.00 0.00 H new ATOM 836 N LEU A 58 2.717 -1.809 9.802 1.00 0.00 N ATOM 837 CA LEU A 58 2.419 -0.532 9.096 1.00 0.00 C ATOM 838 C LEU A 58 1.253 0.175 9.790 1.00 0.00 C ATOM 839 O LEU A 58 0.258 -0.433 10.127 1.00 0.00 O ATOM 840 CB LEU A 58 2.043 -0.828 7.643 1.00 0.00 C ATOM 841 CG LEU A 58 3.212 -0.457 6.729 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.801 -0.650 5.268 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.593 1.007 6.961 1.00 0.00 C ATOM 0 H LEU A 58 2.795 -2.629 9.201 1.00 0.00 H new ATOM 0 HA LEU A 58 3.300 0.110 9.120 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.798 -1.884 7.527 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.155 -0.262 7.363 1.00 0.00 H new ATOM 0 HG LEU A 58 4.065 -1.097 6.953 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.635 -0.385 4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.527 -1.692 5.102 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.948 -0.010 5.043 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.426 1.274 6.311 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.739 1.645 6.736 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.886 1.146 8.002 1.00 0.00 H new ATOM 855 N ASP A 59 1.369 1.456 10.006 1.00 0.00 N ATOM 856 CA ASP A 59 0.269 2.202 10.678 1.00 0.00 C ATOM 857 C ASP A 59 -0.347 3.198 9.692 1.00 0.00 C ATOM 858 O ASP A 59 -0.634 4.328 10.034 1.00 0.00 O ATOM 859 CB ASP A 59 0.828 2.958 11.885 1.00 0.00 C ATOM 860 CG ASP A 59 2.073 3.742 11.464 1.00 0.00 C ATOM 861 OD1 ASP A 59 3.146 3.164 11.479 1.00 0.00 O ATOM 862 OD2 ASP A 59 1.931 4.908 11.136 1.00 0.00 O ATOM 0 H ASP A 59 2.179 2.019 9.746 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.495 1.500 11.012 1.00 0.00 H new ATOM 0 HB2 ASP A 59 0.074 3.638 12.283 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.078 2.258 12.682 1.00 0.00 H new ATOM 867 N CYS A 60 -0.554 2.786 8.471 1.00 0.00 N ATOM 868 CA CYS A 60 -1.151 3.710 7.465 1.00 0.00 C ATOM 869 C CYS A 60 -2.397 3.062 6.853 1.00 0.00 C ATOM 870 O CYS A 60 -2.364 2.595 5.732 1.00 0.00 O ATOM 871 CB CYS A 60 -0.129 3.990 6.360 1.00 0.00 C ATOM 872 SG CYS A 60 1.351 4.736 7.084 1.00 0.00 S ATOM 0 H CYS A 60 -0.336 1.851 8.127 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.428 4.646 7.951 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.131 3.064 5.847 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -0.558 4.658 5.613 1.00 0.00 H new ATOM 0 HG CYS A 60 1.791 5.676 6.301 1.00 0.00 H new ATOM 878 N PRO A 61 -3.462 3.057 7.614 1.00 0.00 N ATOM 879 CA PRO A 61 -4.744 2.475 7.181 1.00 0.00 C ATOM 880 C PRO A 61 -5.474 3.436 6.236 1.00 0.00 C ATOM 881 O PRO A 61 -6.563 3.158 5.774 1.00 0.00 O ATOM 882 CB PRO A 61 -5.519 2.302 8.490 1.00 0.00 C ATOM 883 CG PRO A 61 -4.896 3.294 9.501 1.00 0.00 C ATOM 884 CD PRO A 61 -3.486 3.630 8.975 1.00 0.00 C ATOM 0 HA PRO A 61 -4.629 1.540 6.633 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.579 2.510 8.344 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.443 1.277 8.854 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.504 4.195 9.584 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -4.843 2.852 10.496 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.313 4.706 8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.711 3.193 9.605 1.00 0.00 H new ATOM 892 N ASP A 62 -4.881 4.561 5.944 1.00 0.00 N ATOM 893 CA ASP A 62 -5.541 5.533 5.030 1.00 0.00 C ATOM 894 C ASP A 62 -5.179 5.187 3.586 1.00 0.00 C ATOM 895 O ASP A 62 -5.996 5.278 2.690 1.00 0.00 O ATOM 896 CB ASP A 62 -5.060 6.948 5.353 1.00 0.00 C ATOM 897 CG ASP A 62 -5.701 7.941 4.382 1.00 0.00 C ATOM 898 OD1 ASP A 62 -5.131 8.161 3.327 1.00 0.00 O ATOM 899 OD2 ASP A 62 -6.752 8.465 4.711 1.00 0.00 O ATOM 0 H ASP A 62 -3.969 4.848 6.299 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.622 5.483 5.160 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.321 7.207 6.379 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -3.974 7.000 5.278 1.00 0.00 H new ATOM 904 N LEU A 63 -3.961 4.782 3.352 1.00 0.00 N ATOM 905 CA LEU A 63 -3.552 4.424 1.970 1.00 0.00 C ATOM 906 C LEU A 63 -3.953 2.977 1.693 1.00 0.00 C ATOM 907 O LEU A 63 -4.342 2.628 0.596 1.00 0.00 O ATOM 908 CB LEU A 63 -2.035 4.571 1.830 1.00 0.00 C ATOM 909 CG LEU A 63 -1.566 5.795 2.620 1.00 0.00 C ATOM 910 CD1 LEU A 63 -0.093 6.068 2.312 1.00 0.00 C ATOM 911 CD2 LEU A 63 -2.404 7.011 2.220 1.00 0.00 C ATOM 0 H LEU A 63 -3.233 4.684 4.060 1.00 0.00 H new ATOM 0 HA LEU A 63 -4.043 5.086 1.257 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.536 3.674 2.198 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.765 4.677 0.779 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.685 5.606 3.687 1.00 0.00 H new ATOM 0 HD11 LEU A 63 0.241 6.940 2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 63 0.505 5.202 2.596 1.00 0.00 H new ATOM 0 HD13 LEU A 63 0.027 6.257 1.245 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.071 7.883 2.782 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.285 7.200 1.153 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -3.454 6.817 2.439 1.00 0.00 H new ATOM 923 N ILE A 64 -3.869 2.134 2.684 1.00 0.00 N ATOM 924 CA ILE A 64 -4.254 0.711 2.483 1.00 0.00 C ATOM 925 C ILE A 64 -5.765 0.631 2.263 1.00 0.00 C ATOM 926 O ILE A 64 -6.252 -0.183 1.504 1.00 0.00 O ATOM 927 CB ILE A 64 -3.872 -0.102 3.722 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.370 0.041 3.979 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.211 -1.575 3.490 1.00 0.00 C ATOM 930 CD1 ILE A 64 -1.971 -0.835 5.168 1.00 0.00 C ATOM 0 H ILE A 64 -3.550 2.370 3.624 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.734 0.307 1.615 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.427 0.266 4.585 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.809 -0.253 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.122 1.083 4.182 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -3.939 -2.154 4.372 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.280 -1.677 3.304 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -3.656 -1.945 2.628 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.901 -0.734 5.352 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.523 -0.520 6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.204 -1.877 4.947 1.00 0.00 H new ATOM 942 N ALA A 65 -6.511 1.479 2.919 1.00 0.00 N ATOM 943 CA ALA A 65 -7.989 1.462 2.747 1.00 0.00 C ATOM 944 C ALA A 65 -8.379 2.410 1.611 1.00 0.00 C ATOM 945 O ALA A 65 -9.516 2.450 1.187 1.00 0.00 O ATOM 946 CB ALA A 65 -8.659 1.917 4.046 1.00 0.00 C ATOM 0 H ALA A 65 -6.158 2.183 3.567 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.317 0.451 2.505 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.742 1.905 3.921 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.380 1.242 4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.333 2.929 4.288 1.00 0.00 H new ATOM 952 N GLU A 66 -7.443 3.174 1.114 1.00 0.00 N ATOM 953 CA GLU A 66 -7.762 4.117 0.006 1.00 0.00 C ATOM 954 C GLU A 66 -7.459 3.443 -1.333 1.00 0.00 C ATOM 955 O GLU A 66 -8.041 3.766 -2.349 1.00 0.00 O ATOM 956 CB GLU A 66 -6.909 5.379 0.148 1.00 0.00 C ATOM 957 CG GLU A 66 -7.108 6.272 -1.078 1.00 0.00 C ATOM 958 CD GLU A 66 -6.122 5.862 -2.174 1.00 0.00 C ATOM 959 OE1 GLU A 66 -5.402 4.899 -1.966 1.00 0.00 O ATOM 960 OE2 GLU A 66 -6.103 6.519 -3.202 1.00 0.00 O ATOM 0 H GLU A 66 -6.473 3.185 1.428 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.817 4.388 0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.188 5.919 1.053 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.857 5.110 0.248 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -8.131 6.184 -1.443 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.955 7.317 -0.809 1.00 0.00 H new ATOM 967 N PHE A 67 -6.552 2.505 -1.339 1.00 0.00 N ATOM 968 CA PHE A 67 -6.210 1.807 -2.610 1.00 0.00 C ATOM 969 C PHE A 67 -6.972 0.483 -2.679 1.00 0.00 C ATOM 970 O PHE A 67 -7.123 -0.104 -3.733 1.00 0.00 O ATOM 971 CB PHE A 67 -4.705 1.533 -2.650 1.00 0.00 C ATOM 972 CG PHE A 67 -4.385 0.645 -3.829 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.579 -0.740 -3.737 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.890 1.206 -5.014 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.280 -1.563 -4.830 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.591 0.382 -6.107 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.786 -1.002 -6.015 1.00 0.00 C ATOM 0 H PHE A 67 -6.033 2.192 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.487 2.432 -3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -4.156 2.471 -2.728 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -4.387 1.054 -1.724 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.959 -1.173 -2.823 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.739 2.273 -5.085 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.430 -2.630 -4.759 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -3.210 0.814 -7.021 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.555 -1.637 -6.858 1.00 0.00 H new ATOM 987 N LEU A 68 -7.456 0.008 -1.564 1.00 0.00 N ATOM 988 CA LEU A 68 -8.209 -1.277 -1.565 1.00 0.00 C ATOM 989 C LEU A 68 -9.692 -0.994 -1.821 1.00 0.00 C ATOM 990 O LEU A 68 -10.361 -1.728 -2.520 1.00 0.00 O ATOM 991 CB LEU A 68 -8.010 -1.983 -0.209 1.00 0.00 C ATOM 992 CG LEU A 68 -9.085 -1.552 0.796 1.00 0.00 C ATOM 993 CD1 LEU A 68 -10.373 -2.338 0.538 1.00 0.00 C ATOM 994 CD2 LEU A 68 -8.594 -1.841 2.217 1.00 0.00 C ATOM 0 H LEU A 68 -7.362 0.455 -0.652 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.839 -1.930 -2.355 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.049 -3.063 -0.348 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.022 -1.748 0.186 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.281 -0.486 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.136 -2.031 1.253 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.724 -2.140 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -10.178 -3.404 0.652 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.356 -1.536 2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.401 -2.908 2.325 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.675 -1.285 2.405 1.00 0.00 H new ATOM 1006 N GLN A 69 -10.208 0.070 -1.269 1.00 0.00 N ATOM 1007 CA GLN A 69 -11.643 0.397 -1.494 1.00 0.00 C ATOM 1008 C GLN A 69 -11.854 0.699 -2.977 1.00 0.00 C ATOM 1009 O GLN A 69 -12.968 0.768 -3.457 1.00 0.00 O ATOM 1010 CB GLN A 69 -12.027 1.622 -0.661 1.00 0.00 C ATOM 1011 CG GLN A 69 -11.191 2.824 -1.103 1.00 0.00 C ATOM 1012 CD GLN A 69 -11.960 3.620 -2.158 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -11.589 3.632 -3.315 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -13.022 4.292 -1.807 1.00 0.00 N ATOM 0 H GLN A 69 -9.700 0.724 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 69 -12.266 -0.446 -1.196 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -13.088 1.839 -0.783 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.862 1.421 0.398 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -10.966 3.459 -0.246 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -10.237 2.487 -1.510 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -13.334 4.282 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -13.540 4.827 -2.504 1.00 0.00 H new ATOM 1023 N SER A 70 -10.786 0.877 -3.708 1.00 0.00 N ATOM 1024 CA SER A 70 -10.914 1.171 -5.161 1.00 0.00 C ATOM 1025 C SER A 70 -11.824 0.134 -5.811 1.00 0.00 C ATOM 1026 O SER A 70 -12.959 0.406 -6.145 1.00 0.00 O ATOM 1027 CB SER A 70 -9.533 1.106 -5.815 1.00 0.00 C ATOM 1028 OG SER A 70 -8.668 2.041 -5.182 1.00 0.00 O ATOM 0 H SER A 70 -9.829 0.831 -3.359 1.00 0.00 H new ATOM 0 HA SER A 70 -11.338 2.166 -5.294 1.00 0.00 H new ATOM 0 HB2 SER A 70 -9.124 0.099 -5.729 1.00 0.00 H new ATOM 0 HB3 SER A 70 -9.611 1.328 -6.879 1.00 0.00 H new ATOM 0 HG SER A 70 -7.782 2.000 -5.598 1.00 0.00 H new ATOM 1034 N GLN A 71 -11.327 -1.054 -5.991 1.00 0.00 N ATOM 1035 CA GLN A 71 -12.149 -2.125 -6.619 1.00 0.00 C ATOM 1036 C GLN A 71 -12.406 -3.212 -5.583 1.00 0.00 C ATOM 1037 O GLN A 71 -12.699 -4.344 -5.914 1.00 0.00 O ATOM 1038 CB GLN A 71 -11.394 -2.737 -7.809 1.00 0.00 C ATOM 1039 CG GLN A 71 -10.184 -1.869 -8.176 1.00 0.00 C ATOM 1040 CD GLN A 71 -9.433 -2.508 -9.346 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -9.300 -3.714 -9.411 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.934 -1.744 -10.279 1.00 0.00 N ATOM 0 H GLN A 71 -10.381 -1.333 -5.729 1.00 0.00 H new ATOM 0 HA GLN A 71 -13.090 -1.703 -6.971 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.064 -3.745 -7.559 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.062 -2.823 -8.666 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.512 -0.865 -8.445 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.521 -1.768 -7.316 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.046 -0.732 -10.223 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.432 -2.159 -11.064 1.00 0.00 H new