USER MOD reduce.3.24.130724 H: found=0, std=0, add=405, rem=0, adj=5 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 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.282 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0.281 USER MOD Single : A 50 ASN : amide:sc= -1.52 K(o=-1.5,f=-3.8!) USER MOD Single : A 51 THR OG1 : rot 67:sc= 1.15 USER MOD Single : A 57 ASN : amide:sc= -2.67 K(o=-2.7,f=-6.9!) USER MOD Single : A 60 CYS SG : rot -70:sc= -2.92! USER MOD Single : A 69 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 70 SER OG : rot 95:sc= 0.854 USER MOD Single : A 71 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 229 N VAL A 22 9.280 9.731 4.296 1.00 0.00 N ATOM 230 CA VAL A 22 7.864 10.191 4.253 1.00 0.00 C ATOM 231 C VAL A 22 7.049 9.257 3.357 1.00 0.00 C ATOM 232 O VAL A 22 7.566 8.659 2.435 1.00 0.00 O ATOM 233 CB VAL A 22 7.806 11.613 3.693 1.00 0.00 C ATOM 234 CG1 VAL A 22 6.413 12.198 3.925 1.00 0.00 C ATOM 235 CG2 VAL A 22 8.848 12.481 4.402 1.00 0.00 C ATOM 0 HA VAL A 22 7.449 10.180 5.261 1.00 0.00 H new ATOM 0 HB VAL A 22 8.016 11.591 2.624 1.00 0.00 H new ATOM 0 HG11 VAL A 22 6.373 13.211 3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.670 11.580 3.421 1.00 0.00 H new ATOM 0 HG13 VAL A 22 6.201 12.221 4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.808 13.495 4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 22 8.637 12.502 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 22 9.842 12.065 4.236 1.00 0.00 H new ATOM 245 N VAL A 23 5.778 9.127 3.619 1.00 0.00 N ATOM 246 CA VAL A 23 4.931 8.233 2.782 1.00 0.00 C ATOM 247 C VAL A 23 4.170 9.073 1.756 1.00 0.00 C ATOM 248 O VAL A 23 3.422 9.965 2.103 1.00 0.00 O ATOM 249 CB VAL A 23 3.934 7.490 3.674 1.00 0.00 C ATOM 250 CG1 VAL A 23 3.434 6.238 2.951 1.00 0.00 C ATOM 251 CG2 VAL A 23 4.622 7.084 4.979 1.00 0.00 C ATOM 0 H VAL A 23 5.289 9.602 4.378 1.00 0.00 H new ATOM 0 HA VAL A 23 5.563 7.510 2.266 1.00 0.00 H new ATOM 0 HB VAL A 23 3.089 8.143 3.895 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.724 5.710 3.587 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.943 6.526 2.021 1.00 0.00 H new ATOM 0 HG13 VAL A 23 4.278 5.585 2.729 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.912 6.555 5.615 1.00 0.00 H new ATOM 0 HG22 VAL A 23 5.467 6.432 4.757 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.977 7.976 5.496 1.00 0.00 H new ATOM 261 N GLU A 24 4.355 8.799 0.494 1.00 0.00 N ATOM 262 CA GLU A 24 3.643 9.588 -0.549 1.00 0.00 C ATOM 263 C GLU A 24 2.338 8.880 -0.923 1.00 0.00 C ATOM 264 O GLU A 24 1.366 9.507 -1.294 1.00 0.00 O ATOM 265 CB GLU A 24 4.528 9.715 -1.789 1.00 0.00 C ATOM 266 CG GLU A 24 3.927 10.748 -2.743 1.00 0.00 C ATOM 267 CD GLU A 24 5.039 11.375 -3.587 1.00 0.00 C ATOM 268 OE1 GLU A 24 5.858 12.082 -3.021 1.00 0.00 O ATOM 269 OE2 GLU A 24 5.054 11.136 -4.783 1.00 0.00 O ATOM 0 H GLU A 24 4.968 8.064 0.141 1.00 0.00 H new ATOM 0 HA GLU A 24 3.419 10.582 -0.161 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.536 10.014 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.613 8.750 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU A 24 3.189 10.274 -3.390 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.406 11.521 -2.177 1.00 0.00 H new ATOM 276 N LYS A 25 2.310 7.579 -0.831 1.00 0.00 N ATOM 277 CA LYS A 25 1.068 6.836 -1.183 1.00 0.00 C ATOM 278 C LYS A 25 1.367 5.337 -1.234 1.00 0.00 C ATOM 279 O LYS A 25 2.434 4.893 -0.860 1.00 0.00 O ATOM 280 CB LYS A 25 0.566 7.302 -2.550 1.00 0.00 C ATOM 281 CG LYS A 25 -0.901 7.723 -2.442 1.00 0.00 C ATOM 282 CD LYS A 25 -1.494 7.878 -3.843 1.00 0.00 C ATOM 283 CE LYS A 25 -1.032 9.204 -4.450 1.00 0.00 C ATOM 284 NZ LYS A 25 -1.516 9.305 -5.855 1.00 0.00 N ATOM 0 H LYS A 25 3.092 6.999 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 25 0.304 7.028 -0.430 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.169 8.138 -2.905 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.672 6.500 -3.280 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.463 6.978 -1.878 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.981 8.663 -1.896 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.181 7.048 -4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.582 7.848 -3.794 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.415 10.038 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.056 9.268 -4.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.201 10.207 -6.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.130 8.517 -6.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.555 9.262 -5.868 1.00 0.00 H new ATOM 298 N VAL A 26 0.432 4.553 -1.694 1.00 0.00 N ATOM 299 CA VAL A 26 0.661 3.082 -1.769 1.00 0.00 C ATOM 300 C VAL A 26 1.145 2.715 -3.175 1.00 0.00 C ATOM 301 O VAL A 26 1.815 3.488 -3.831 1.00 0.00 O ATOM 302 CB VAL A 26 -0.645 2.342 -1.467 1.00 0.00 C ATOM 303 CG1 VAL A 26 -0.329 0.981 -0.845 1.00 0.00 C ATOM 304 CG2 VAL A 26 -1.483 3.165 -0.484 1.00 0.00 C ATOM 0 H VAL A 26 -0.481 4.867 -2.022 1.00 0.00 H new ATOM 0 HA VAL A 26 1.415 2.794 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.202 2.200 -2.393 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.259 0.454 -0.630 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.269 0.393 -1.541 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.229 1.125 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.413 2.638 -0.269 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.924 3.307 0.441 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.710 4.136 -0.923 1.00 0.00 H new ATOM 314 N LEU A 27 0.813 1.543 -3.644 1.00 0.00 N ATOM 315 CA LEU A 27 1.255 1.134 -5.006 1.00 0.00 C ATOM 316 C LEU A 27 0.575 -0.181 -5.394 1.00 0.00 C ATOM 317 O LEU A 27 0.170 -0.371 -6.523 1.00 0.00 O ATOM 318 CB LEU A 27 2.774 0.943 -5.015 1.00 0.00 C ATOM 319 CG LEU A 27 3.432 2.119 -5.740 1.00 0.00 C ATOM 320 CD1 LEU A 27 4.589 2.655 -4.895 1.00 0.00 C ATOM 321 CD2 LEU A 27 3.966 1.647 -7.093 1.00 0.00 C ATOM 0 H LEU A 27 0.255 0.852 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 27 0.981 1.909 -5.722 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.149 0.876 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.031 0.007 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 27 2.697 2.909 -5.894 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.058 3.493 -5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.210 2.990 -3.929 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.324 1.865 -4.742 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.435 2.484 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.701 0.857 -6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.143 1.263 -7.695 1.00 0.00 H new ATOM 333 N ASP A 28 0.447 -1.091 -4.467 1.00 0.00 N ATOM 334 CA ASP A 28 -0.207 -2.391 -4.788 1.00 0.00 C ATOM 335 C ASP A 28 -0.325 -3.236 -3.518 1.00 0.00 C ATOM 336 O ASP A 28 -0.072 -2.771 -2.425 1.00 0.00 O ATOM 337 CB ASP A 28 0.634 -3.143 -5.822 1.00 0.00 C ATOM 338 CG ASP A 28 -0.256 -3.579 -6.986 1.00 0.00 C ATOM 339 OD1 ASP A 28 -0.611 -2.728 -7.786 1.00 0.00 O ATOM 340 OD2 ASP A 28 -0.569 -4.756 -7.058 1.00 0.00 O ATOM 0 H ASP A 28 0.766 -0.991 -3.503 1.00 0.00 H new ATOM 0 HA ASP A 28 -1.202 -2.204 -5.192 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.439 -2.504 -6.186 1.00 0.00 H new ATOM 0 HB3 ASP A 28 1.101 -4.014 -5.362 1.00 0.00 H new ATOM 345 N ARG A 29 -0.710 -4.476 -3.655 1.00 0.00 N ATOM 346 CA ARG A 29 -0.845 -5.353 -2.459 1.00 0.00 C ATOM 347 C ARG A 29 -0.583 -6.805 -2.860 1.00 0.00 C ATOM 348 O ARG A 29 -0.811 -7.199 -3.986 1.00 0.00 O ATOM 349 CB ARG A 29 -2.262 -5.229 -1.893 1.00 0.00 C ATOM 350 CG ARG A 29 -2.352 -5.987 -0.568 1.00 0.00 C ATOM 351 CD ARG A 29 -3.808 -6.024 -0.099 1.00 0.00 C ATOM 352 NE ARG A 29 -4.493 -7.202 -0.697 1.00 0.00 N ATOM 353 CZ ARG A 29 -4.282 -8.395 -0.213 1.00 0.00 C ATOM 354 NH1 ARG A 29 -4.796 -8.733 0.938 1.00 0.00 N ATOM 355 NH2 ARG A 29 -3.556 -9.251 -0.880 1.00 0.00 N ATOM 0 H ARG A 29 -0.937 -4.919 -4.545 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.123 -5.048 -1.702 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.513 -4.179 -1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.985 -5.630 -2.603 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.972 -7.001 -0.691 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.729 -5.502 0.184 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.849 -6.080 0.989 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.319 -5.106 -0.391 1.00 0.00 H new ATOM 0 HE ARG A 29 -5.128 -7.077 -1.486 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.363 -8.064 1.459 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -4.631 -9.666 1.316 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.154 -8.987 -1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.391 -10.184 -0.502 1.00 0.00 H new ATOM 369 N ARG A 30 -0.102 -7.606 -1.948 1.00 0.00 N ATOM 370 CA ARG A 30 0.175 -9.032 -2.279 1.00 0.00 C ATOM 371 C ARG A 30 0.333 -9.833 -0.986 1.00 0.00 C ATOM 372 O ARG A 30 0.855 -9.347 -0.003 1.00 0.00 O ATOM 373 CB ARG A 30 1.463 -9.123 -3.099 1.00 0.00 C ATOM 374 CG ARG A 30 1.801 -10.593 -3.359 1.00 0.00 C ATOM 375 CD ARG A 30 2.913 -11.037 -2.406 1.00 0.00 C ATOM 376 NE ARG A 30 4.206 -10.431 -2.835 1.00 0.00 N ATOM 377 CZ ARG A 30 4.698 -10.707 -4.011 1.00 0.00 C ATOM 378 NH1 ARG A 30 5.090 -11.920 -4.287 1.00 0.00 N ATOM 379 NH2 ARG A 30 4.798 -9.769 -4.914 1.00 0.00 N ATOM 0 H ARG A 30 0.111 -7.334 -0.988 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.653 -9.440 -2.859 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.343 -8.594 -4.044 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.281 -8.640 -2.565 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.915 -11.212 -3.215 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.119 -10.727 -4.393 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.676 -10.732 -1.387 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.992 -12.124 -2.403 1.00 0.00 H new ATOM 0 HE ARG A 30 4.706 -9.800 -2.208 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.012 -12.654 -3.583 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.475 -12.135 -5.207 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.491 -8.820 -4.700 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.183 -9.985 -5.834 1.00 0.00 H new ATOM 393 N VAL A 31 -0.114 -11.060 -0.979 1.00 0.00 N ATOM 394 CA VAL A 31 0.011 -11.890 0.252 1.00 0.00 C ATOM 395 C VAL A 31 1.086 -12.959 0.041 1.00 0.00 C ATOM 396 O VAL A 31 1.403 -13.324 -1.074 1.00 0.00 O ATOM 397 CB VAL A 31 -1.333 -12.563 0.553 1.00 0.00 C ATOM 398 CG1 VAL A 31 -1.131 -13.712 1.545 1.00 0.00 C ATOM 399 CG2 VAL A 31 -2.288 -11.536 1.162 1.00 0.00 C ATOM 0 H VAL A 31 -0.560 -11.522 -1.772 1.00 0.00 H new ATOM 0 HA VAL A 31 0.294 -11.255 1.092 1.00 0.00 H new ATOM 0 HB VAL A 31 -1.752 -12.956 -0.373 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.090 -14.185 1.754 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -0.450 -14.447 1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.709 -13.323 2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.245 -12.012 1.377 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.861 -11.145 2.086 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.440 -10.718 0.458 1.00 0.00 H new ATOM 409 N VAL A 32 1.645 -13.463 1.105 1.00 0.00 N ATOM 410 CA VAL A 32 2.698 -14.508 0.975 1.00 0.00 C ATOM 411 C VAL A 32 2.091 -15.876 1.296 1.00 0.00 C ATOM 412 O VAL A 32 2.468 -16.883 0.732 1.00 0.00 O ATOM 413 CB VAL A 32 3.828 -14.212 1.961 1.00 0.00 C ATOM 414 CG1 VAL A 32 4.943 -15.246 1.786 1.00 0.00 C ATOM 415 CG2 VAL A 32 4.385 -12.813 1.691 1.00 0.00 C ATOM 0 H VAL A 32 1.417 -13.195 2.063 1.00 0.00 H new ATOM 0 HA VAL A 32 3.091 -14.510 -0.042 1.00 0.00 H new ATOM 0 HB VAL A 32 3.443 -14.261 2.980 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.749 -15.035 2.489 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.547 -16.244 1.977 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.328 -15.197 0.767 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.191 -12.600 2.393 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.769 -12.765 0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.592 -12.076 1.815 1.00 0.00 H new ATOM 425 N LYS A 33 1.154 -15.913 2.203 1.00 0.00 N ATOM 426 CA LYS A 33 0.517 -17.207 2.575 1.00 0.00 C ATOM 427 C LYS A 33 -0.200 -17.042 3.915 1.00 0.00 C ATOM 428 O LYS A 33 -0.194 -17.926 4.748 1.00 0.00 O ATOM 429 CB LYS A 33 1.594 -18.285 2.703 1.00 0.00 C ATOM 430 CG LYS A 33 2.851 -17.671 3.321 1.00 0.00 C ATOM 431 CD LYS A 33 3.296 -18.514 4.518 1.00 0.00 C ATOM 432 CE LYS A 33 3.582 -17.599 5.710 1.00 0.00 C ATOM 433 NZ LYS A 33 5.008 -17.746 6.119 1.00 0.00 N ATOM 0 H LYS A 33 0.801 -15.098 2.705 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.199 -17.501 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 33 1.233 -19.105 3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 33 1.824 -18.704 1.723 1.00 0.00 H new ATOM 0 HG2 LYS A 33 3.648 -17.624 2.579 1.00 0.00 H new ATOM 0 HG3 LYS A 33 2.650 -16.648 3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 33 2.520 -19.234 4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 33 4.189 -19.085 4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 33 3.374 -16.563 5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 33 2.926 -17.853 6.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.203 -17.124 6.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 5.192 -18.734 6.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 5.626 -17.483 5.325 1.00 0.00 H new ATOM 447 N GLY A 34 -0.811 -15.910 4.131 1.00 0.00 N ATOM 448 CA GLY A 34 -1.522 -15.676 5.417 1.00 0.00 C ATOM 449 C GLY A 34 -1.271 -14.240 5.875 1.00 0.00 C ATOM 450 O GLY A 34 -2.036 -13.675 6.632 1.00 0.00 O ATOM 0 H GLY A 34 -0.848 -15.135 3.469 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.591 -15.849 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -1.171 -16.378 6.173 1.00 0.00 H new ATOM 454 N LYS A 35 -0.204 -13.641 5.417 1.00 0.00 N ATOM 455 CA LYS A 35 0.096 -12.238 5.822 1.00 0.00 C ATOM 456 C LYS A 35 -0.329 -11.287 4.701 1.00 0.00 C ATOM 457 O LYS A 35 -0.721 -11.709 3.633 1.00 0.00 O ATOM 458 CB LYS A 35 1.597 -12.092 6.077 1.00 0.00 C ATOM 459 CG LYS A 35 1.962 -12.781 7.393 1.00 0.00 C ATOM 460 CD LYS A 35 3.358 -12.337 7.833 1.00 0.00 C ATOM 461 CE LYS A 35 3.375 -10.819 8.020 1.00 0.00 C ATOM 462 NZ LYS A 35 4.440 -10.451 8.997 1.00 0.00 N ATOM 0 H LYS A 35 0.472 -14.063 4.780 1.00 0.00 H new ATOM 0 HA LYS A 35 -0.451 -11.994 6.733 1.00 0.00 H new ATOM 0 HB2 LYS A 35 2.161 -12.533 5.255 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.868 -11.037 6.119 1.00 0.00 H new ATOM 0 HG2 LYS A 35 1.231 -12.531 8.161 1.00 0.00 H new ATOM 0 HG3 LYS A 35 1.936 -13.864 7.268 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.632 -12.832 8.765 1.00 0.00 H new ATOM 0 HD3 LYS A 35 4.097 -12.631 7.087 1.00 0.00 H new ATOM 0 HE2 LYS A 35 3.557 -10.326 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 35 2.404 -10.475 8.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.452 -9.419 9.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 4.248 -10.911 9.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.364 -10.766 8.639 1.00 0.00 H new ATOM 476 N VAL A 36 -0.254 -10.005 4.936 1.00 0.00 N ATOM 477 CA VAL A 36 -0.656 -9.033 3.880 1.00 0.00 C ATOM 478 C VAL A 36 0.472 -8.023 3.655 1.00 0.00 C ATOM 479 O VAL A 36 1.035 -7.488 4.588 1.00 0.00 O ATOM 480 CB VAL A 36 -1.919 -8.294 4.322 1.00 0.00 C ATOM 481 CG1 VAL A 36 -2.191 -7.130 3.367 1.00 0.00 C ATOM 482 CG2 VAL A 36 -3.106 -9.258 4.300 1.00 0.00 C ATOM 0 H VAL A 36 0.067 -9.590 5.811 1.00 0.00 H new ATOM 0 HA VAL A 36 -0.853 -9.569 2.952 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.780 -7.910 5.332 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -3.092 -6.603 3.683 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.345 -6.443 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.330 -7.514 2.356 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.007 -8.732 4.615 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -3.244 -9.642 3.289 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -2.913 -10.088 4.980 1.00 0.00 H new ATOM 492 N GLU A 37 0.802 -7.758 2.420 1.00 0.00 N ATOM 493 CA GLU A 37 1.889 -6.780 2.134 1.00 0.00 C ATOM 494 C GLU A 37 1.298 -5.561 1.425 1.00 0.00 C ATOM 495 O GLU A 37 0.250 -5.635 0.813 1.00 0.00 O ATOM 496 CB GLU A 37 2.939 -7.436 1.233 1.00 0.00 C ATOM 497 CG GLU A 37 3.477 -8.697 1.911 1.00 0.00 C ATOM 498 CD GLU A 37 4.731 -8.349 2.715 1.00 0.00 C ATOM 499 OE1 GLU A 37 5.532 -7.573 2.220 1.00 0.00 O ATOM 500 OE2 GLU A 37 4.869 -8.863 3.812 1.00 0.00 O ATOM 0 H GLU A 37 0.366 -8.176 1.598 1.00 0.00 H new ATOM 0 HA GLU A 37 2.356 -6.468 3.068 1.00 0.00 H new ATOM 0 HB2 GLU A 37 2.499 -7.689 0.268 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.754 -6.739 1.039 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.718 -9.122 2.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.711 -9.454 1.162 1.00 0.00 H new ATOM 507 N TYR A 38 1.956 -4.437 1.501 1.00 0.00 N ATOM 508 CA TYR A 38 1.424 -3.217 0.832 1.00 0.00 C ATOM 509 C TYR A 38 2.575 -2.438 0.191 1.00 0.00 C ATOM 510 O TYR A 38 3.440 -1.921 0.869 1.00 0.00 O ATOM 511 CB TYR A 38 0.722 -2.335 1.867 1.00 0.00 C ATOM 512 CG TYR A 38 -0.649 -2.896 2.160 1.00 0.00 C ATOM 513 CD1 TYR A 38 -1.664 -2.802 1.199 1.00 0.00 C ATOM 514 CD2 TYR A 38 -0.905 -3.511 3.393 1.00 0.00 C ATOM 515 CE1 TYR A 38 -2.936 -3.324 1.471 1.00 0.00 C ATOM 516 CE2 TYR A 38 -2.177 -4.033 3.664 1.00 0.00 C ATOM 517 CZ TYR A 38 -3.192 -3.939 2.704 1.00 0.00 C ATOM 518 OH TYR A 38 -4.445 -4.452 2.971 1.00 0.00 O ATOM 0 H TYR A 38 2.838 -4.311 1.997 1.00 0.00 H new ATOM 0 HA TYR A 38 0.713 -3.508 0.059 1.00 0.00 H new ATOM 0 HB2 TYR A 38 1.312 -2.291 2.783 1.00 0.00 H new ATOM 0 HB3 TYR A 38 0.637 -1.315 1.493 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.466 -2.328 0.249 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -0.122 -3.583 4.134 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.719 -3.252 0.730 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -2.374 -4.508 4.614 1.00 0.00 H new ATOM 0 HH TYR A 38 -4.453 -4.845 3.869 1.00 0.00 H new ATOM 528 N LEU A 39 2.588 -2.348 -1.110 1.00 0.00 N ATOM 529 CA LEU A 39 3.679 -1.600 -1.796 1.00 0.00 C ATOM 530 C LEU A 39 3.406 -0.098 -1.693 1.00 0.00 C ATOM 531 O LEU A 39 2.371 0.383 -2.108 1.00 0.00 O ATOM 532 CB LEU A 39 3.730 -2.010 -3.270 1.00 0.00 C ATOM 533 CG LEU A 39 5.130 -1.751 -3.826 1.00 0.00 C ATOM 534 CD1 LEU A 39 6.161 -2.511 -2.990 1.00 0.00 C ATOM 535 CD2 LEU A 39 5.197 -2.233 -5.277 1.00 0.00 C ATOM 0 H LEU A 39 1.890 -2.760 -1.728 1.00 0.00 H new ATOM 0 HA LEU A 39 4.633 -1.830 -1.323 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.476 -3.065 -3.373 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.991 -1.447 -3.840 1.00 0.00 H new ATOM 0 HG LEU A 39 5.346 -0.683 -3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 39 7.159 -2.326 -3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 39 6.113 -2.171 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.947 -3.579 -3.031 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.195 -2.049 -5.676 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.982 -3.301 -5.316 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.462 -1.693 -5.874 1.00 0.00 H new ATOM 547 N LEU A 40 4.326 0.646 -1.141 1.00 0.00 N ATOM 548 CA LEU A 40 4.115 2.115 -1.011 1.00 0.00 C ATOM 549 C LEU A 40 5.260 2.860 -1.699 1.00 0.00 C ATOM 550 O LEU A 40 6.360 2.355 -1.818 1.00 0.00 O ATOM 551 CB LEU A 40 4.076 2.496 0.471 1.00 0.00 C ATOM 552 CG LEU A 40 2.810 1.924 1.112 1.00 0.00 C ATOM 553 CD1 LEU A 40 3.197 0.923 2.202 1.00 0.00 C ATOM 554 CD2 LEU A 40 1.996 3.062 1.731 1.00 0.00 C ATOM 0 H LEU A 40 5.213 0.300 -0.775 1.00 0.00 H new ATOM 0 HA LEU A 40 3.171 2.388 -1.482 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.960 2.111 0.980 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.093 3.580 0.579 1.00 0.00 H new ATOM 0 HG LEU A 40 2.213 1.420 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.295 0.516 2.659 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.779 0.113 1.762 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.793 1.426 2.963 1.00 0.00 H new ATOM 0 HD21 LEU A 40 1.093 2.657 2.188 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.594 3.565 2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.720 3.776 0.955 1.00 0.00 H new ATOM 566 N LYS A 41 5.013 4.058 -2.154 1.00 0.00 N ATOM 567 CA LYS A 41 6.087 4.834 -2.834 1.00 0.00 C ATOM 568 C LYS A 41 6.748 5.779 -1.826 1.00 0.00 C ATOM 569 O LYS A 41 6.239 6.842 -1.531 1.00 0.00 O ATOM 570 CB LYS A 41 5.480 5.652 -3.977 1.00 0.00 C ATOM 571 CG LYS A 41 6.508 5.800 -5.101 1.00 0.00 C ATOM 572 CD LYS A 41 7.083 7.218 -5.083 1.00 0.00 C ATOM 573 CE LYS A 41 6.088 8.182 -5.734 1.00 0.00 C ATOM 574 NZ LYS A 41 6.290 8.183 -7.210 1.00 0.00 N ATOM 0 H LYS A 41 4.113 4.533 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 41 6.834 4.148 -3.235 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.582 5.161 -4.353 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.178 6.635 -3.615 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.308 5.070 -4.975 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.041 5.598 -6.065 1.00 0.00 H new ATOM 0 HD2 LYS A 41 7.286 7.526 -4.057 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.033 7.243 -5.617 1.00 0.00 H new ATOM 0 HE2 LYS A 41 5.067 7.883 -5.496 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.226 9.188 -5.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.614 8.838 -7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.260 8.488 -7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.137 7.224 -7.582 1.00 0.00 H new ATOM 588 N TRP A 42 7.879 5.398 -1.297 1.00 0.00 N ATOM 589 CA TRP A 42 8.570 6.274 -0.309 1.00 0.00 C ATOM 590 C TRP A 42 9.252 7.431 -1.042 1.00 0.00 C ATOM 591 O TRP A 42 9.786 7.266 -2.121 1.00 0.00 O ATOM 592 CB TRP A 42 9.622 5.460 0.448 1.00 0.00 C ATOM 593 CG TRP A 42 8.950 4.353 1.197 1.00 0.00 C ATOM 594 CD1 TRP A 42 8.799 3.088 0.743 1.00 0.00 C ATOM 595 CD2 TRP A 42 8.339 4.390 2.519 1.00 0.00 C ATOM 596 NE1 TRP A 42 8.134 2.345 1.701 1.00 0.00 N ATOM 597 CE2 TRP A 42 7.829 3.103 2.815 1.00 0.00 C ATOM 598 CE3 TRP A 42 8.180 5.406 3.482 1.00 0.00 C ATOM 599 CZ2 TRP A 42 7.184 2.833 4.023 1.00 0.00 C ATOM 600 CZ3 TRP A 42 7.530 5.137 4.699 1.00 0.00 C ATOM 601 CH2 TRP A 42 7.034 3.853 4.968 1.00 0.00 C ATOM 0 H TRP A 42 8.353 4.520 -1.506 1.00 0.00 H new ATOM 0 HA TRP A 42 7.840 6.670 0.397 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.352 5.051 -0.250 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.167 6.103 1.139 1.00 0.00 H new ATOM 0 HD1 TRP A 42 9.142 2.718 -0.212 1.00 0.00 H new ATOM 0 HE1 TRP A 42 7.898 1.358 1.598 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.560 6.397 3.284 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 6.803 1.843 4.227 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 7.412 5.923 5.430 1.00 0.00 H new ATOM 0 HH2 TRP A 42 6.536 3.652 5.905 1.00 0.00 H new ATOM 612 N LYS A 43 9.240 8.601 -0.464 1.00 0.00 N ATOM 613 CA LYS A 43 9.887 9.767 -1.128 1.00 0.00 C ATOM 614 C LYS A 43 11.144 10.164 -0.353 1.00 0.00 C ATOM 615 O LYS A 43 11.659 11.254 -0.503 1.00 0.00 O ATOM 616 CB LYS A 43 8.911 10.946 -1.154 1.00 0.00 C ATOM 617 CG LYS A 43 8.572 11.360 0.279 1.00 0.00 C ATOM 618 CD LYS A 43 8.294 12.863 0.324 1.00 0.00 C ATOM 619 CE LYS A 43 6.783 13.102 0.351 1.00 0.00 C ATOM 620 NZ LYS A 43 6.511 14.530 0.681 1.00 0.00 N ATOM 0 H LYS A 43 8.810 8.799 0.439 1.00 0.00 H new ATOM 0 HA LYS A 43 10.160 9.498 -2.148 1.00 0.00 H new ATOM 0 HB2 LYS A 43 9.352 11.785 -1.691 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.002 10.668 -1.688 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.701 10.808 0.632 1.00 0.00 H new ATOM 0 HG3 LYS A 43 9.398 11.112 0.945 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.758 13.303 1.206 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.735 13.351 -0.545 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.347 12.852 -0.616 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.314 12.451 1.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 5.484 14.693 0.699 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 6.914 14.754 1.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 6.945 15.142 -0.039 1.00 0.00 H new ATOM 634 N GLY A 44 11.643 9.289 0.476 1.00 0.00 N ATOM 635 CA GLY A 44 12.866 9.618 1.261 1.00 0.00 C ATOM 636 C GLY A 44 14.010 8.698 0.834 1.00 0.00 C ATOM 637 O GLY A 44 15.161 8.934 1.147 1.00 0.00 O ATOM 0 H GLY A 44 11.257 8.360 0.644 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.144 10.660 1.101 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.669 9.501 2.327 1.00 0.00 H new ATOM 641 N PHE A 45 13.706 7.649 0.120 1.00 0.00 N ATOM 642 CA PHE A 45 14.776 6.715 -0.327 1.00 0.00 C ATOM 643 C PHE A 45 15.165 7.037 -1.772 1.00 0.00 C ATOM 644 O PHE A 45 16.258 7.495 -2.044 1.00 0.00 O ATOM 645 CB PHE A 45 14.264 5.276 -0.246 1.00 0.00 C ATOM 646 CG PHE A 45 14.510 4.732 1.141 1.00 0.00 C ATOM 647 CD1 PHE A 45 15.798 4.774 1.693 1.00 0.00 C ATOM 648 CD2 PHE A 45 13.451 4.183 1.875 1.00 0.00 C ATOM 649 CE1 PHE A 45 16.025 4.269 2.979 1.00 0.00 C ATOM 650 CE2 PHE A 45 13.678 3.677 3.162 1.00 0.00 C ATOM 651 CZ PHE A 45 14.966 3.720 3.715 1.00 0.00 C ATOM 0 H PHE A 45 12.762 7.399 -0.173 1.00 0.00 H new ATOM 0 HA PHE A 45 15.648 6.828 0.318 1.00 0.00 H new ATOM 0 HB2 PHE A 45 13.199 5.244 -0.477 1.00 0.00 H new ATOM 0 HB3 PHE A 45 14.770 4.656 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 45 16.615 5.196 1.126 1.00 0.00 H new ATOM 0 HD2 PHE A 45 12.459 4.150 1.449 1.00 0.00 H new ATOM 0 HE1 PHE A 45 17.017 4.303 3.404 1.00 0.00 H new ATOM 0 HE2 PHE A 45 12.861 3.254 3.728 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.142 3.331 4.707 1.00 0.00 H new ATOM 661 N SER A 46 14.279 6.802 -2.701 1.00 0.00 N ATOM 662 CA SER A 46 14.599 7.094 -4.126 1.00 0.00 C ATOM 663 C SER A 46 13.350 7.628 -4.830 1.00 0.00 C ATOM 664 O SER A 46 12.355 7.935 -4.203 1.00 0.00 O ATOM 665 CB SER A 46 15.065 5.812 -4.817 1.00 0.00 C ATOM 666 OG SER A 46 13.936 5.123 -5.337 1.00 0.00 O ATOM 0 H SER A 46 13.348 6.421 -2.534 1.00 0.00 H new ATOM 0 HA SER A 46 15.391 7.841 -4.175 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.762 6.051 -5.620 1.00 0.00 H new ATOM 0 HB3 SER A 46 15.599 5.177 -4.110 1.00 0.00 H new ATOM 0 HG SER A 46 14.231 4.301 -5.782 1.00 0.00 H new ATOM 672 N ASP A 47 13.391 7.741 -6.129 1.00 0.00 N ATOM 673 CA ASP A 47 12.205 8.255 -6.871 1.00 0.00 C ATOM 674 C ASP A 47 11.070 7.231 -6.788 1.00 0.00 C ATOM 675 O ASP A 47 9.907 7.573 -6.857 1.00 0.00 O ATOM 676 CB ASP A 47 12.579 8.484 -8.337 1.00 0.00 C ATOM 677 CG ASP A 47 13.903 9.247 -8.414 1.00 0.00 C ATOM 678 OD1 ASP A 47 13.902 10.428 -8.109 1.00 0.00 O ATOM 679 OD2 ASP A 47 14.895 8.637 -8.776 1.00 0.00 O ATOM 0 H ASP A 47 14.195 7.500 -6.709 1.00 0.00 H new ATOM 0 HA ASP A 47 11.879 9.197 -6.429 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.667 7.529 -8.854 1.00 0.00 H new ATOM 0 HB3 ASP A 47 11.793 9.047 -8.840 1.00 0.00 H new ATOM 684 N GLU A 48 11.400 5.978 -6.638 1.00 0.00 N ATOM 685 CA GLU A 48 10.341 4.934 -6.549 1.00 0.00 C ATOM 686 C GLU A 48 10.869 3.744 -5.745 1.00 0.00 C ATOM 687 O GLU A 48 11.263 2.736 -6.297 1.00 0.00 O ATOM 688 CB GLU A 48 9.962 4.471 -7.957 1.00 0.00 C ATOM 689 CG GLU A 48 11.229 4.125 -8.741 1.00 0.00 C ATOM 690 CD GLU A 48 11.117 4.678 -10.163 1.00 0.00 C ATOM 691 OE1 GLU A 48 10.048 5.152 -10.511 1.00 0.00 O ATOM 692 OE2 GLU A 48 12.102 4.619 -10.879 1.00 0.00 O ATOM 0 H GLU A 48 12.357 5.632 -6.573 1.00 0.00 H new ATOM 0 HA GLU A 48 9.462 5.347 -6.054 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.308 3.601 -7.901 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.406 5.255 -8.471 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.103 4.546 -8.244 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.368 3.044 -8.770 1.00 0.00 H new ATOM 699 N ASP A 49 10.877 3.852 -4.445 1.00 0.00 N ATOM 700 CA ASP A 49 11.380 2.727 -3.609 1.00 0.00 C ATOM 701 C ASP A 49 10.208 1.830 -3.206 1.00 0.00 C ATOM 702 O ASP A 49 10.049 1.479 -2.053 1.00 0.00 O ATOM 703 CB ASP A 49 12.050 3.286 -2.351 1.00 0.00 C ATOM 704 CG ASP A 49 13.080 2.280 -1.832 1.00 0.00 C ATOM 705 OD1 ASP A 49 12.883 1.096 -2.049 1.00 0.00 O ATOM 706 OD2 ASP A 49 14.047 2.712 -1.226 1.00 0.00 O ATOM 0 H ASP A 49 10.557 4.670 -3.926 1.00 0.00 H new ATOM 0 HA ASP A 49 12.105 2.146 -4.179 1.00 0.00 H new ATOM 0 HB2 ASP A 49 12.535 4.236 -2.576 1.00 0.00 H new ATOM 0 HB3 ASP A 49 11.301 3.484 -1.584 1.00 0.00 H new ATOM 711 N ASN A 50 9.386 1.457 -4.148 1.00 0.00 N ATOM 712 CA ASN A 50 8.225 0.582 -3.821 1.00 0.00 C ATOM 713 C ASN A 50 8.675 -0.534 -2.876 1.00 0.00 C ATOM 714 O ASN A 50 9.226 -1.531 -3.296 1.00 0.00 O ATOM 715 CB ASN A 50 7.673 -0.032 -5.109 1.00 0.00 C ATOM 716 CG ASN A 50 8.833 -0.462 -6.009 1.00 0.00 C ATOM 717 OD1 ASN A 50 9.942 -0.642 -5.546 1.00 0.00 O ATOM 718 ND2 ASN A 50 8.623 -0.637 -7.285 1.00 0.00 N ATOM 0 H ASN A 50 9.468 1.720 -5.130 1.00 0.00 H new ATOM 0 HA ASN A 50 7.448 1.174 -3.337 1.00 0.00 H new ATOM 0 HB2 ASN A 50 7.044 -0.890 -4.874 1.00 0.00 H new ATOM 0 HB3 ASN A 50 7.045 0.691 -5.629 1.00 0.00 H new ATOM 0 HD21 ASN A 50 9.390 -0.925 -7.893 1.00 0.00 H new ATOM 0 HD22 ASN A 50 7.692 -0.486 -7.674 1.00 0.00 H new ATOM 725 N THR A 51 8.443 -0.373 -1.602 1.00 0.00 N ATOM 726 CA THR A 51 8.857 -1.424 -0.630 1.00 0.00 C ATOM 727 C THR A 51 7.619 -2.167 -0.125 1.00 0.00 C ATOM 728 O THR A 51 6.590 -1.574 0.134 1.00 0.00 O ATOM 729 CB THR A 51 9.578 -0.772 0.552 1.00 0.00 C ATOM 730 OG1 THR A 51 10.632 0.049 0.066 1.00 0.00 O ATOM 731 CG2 THR A 51 10.152 -1.857 1.464 1.00 0.00 C ATOM 0 H THR A 51 7.985 0.441 -1.192 1.00 0.00 H new ATOM 0 HA THR A 51 9.529 -2.128 -1.121 1.00 0.00 H new ATOM 0 HB THR A 51 8.873 -0.163 1.117 1.00 0.00 H new ATOM 0 HG1 THR A 51 10.255 0.805 -0.430 1.00 0.00 H new ATOM 0 HG21 THR A 51 10.665 -1.391 2.305 1.00 0.00 H new ATOM 0 HG22 THR A 51 9.343 -2.486 1.836 1.00 0.00 H new ATOM 0 HG23 THR A 51 10.858 -2.469 0.902 1.00 0.00 H new ATOM 739 N TRP A 52 7.708 -3.461 0.017 1.00 0.00 N ATOM 740 CA TRP A 52 6.535 -4.240 0.504 1.00 0.00 C ATOM 741 C TRP A 52 6.593 -4.350 2.030 1.00 0.00 C ATOM 742 O TRP A 52 7.467 -4.988 2.583 1.00 0.00 O ATOM 743 CB TRP A 52 6.561 -5.641 -0.109 1.00 0.00 C ATOM 744 CG TRP A 52 6.317 -5.545 -1.581 1.00 0.00 C ATOM 745 CD1 TRP A 52 7.281 -5.423 -2.523 1.00 0.00 C ATOM 746 CD2 TRP A 52 5.048 -5.560 -2.298 1.00 0.00 C ATOM 747 NE1 TRP A 52 6.685 -5.363 -3.766 1.00 0.00 N ATOM 748 CE2 TRP A 52 5.317 -5.442 -3.680 1.00 0.00 C ATOM 749 CE3 TRP A 52 3.704 -5.663 -1.890 1.00 0.00 C ATOM 750 CZ2 TRP A 52 4.300 -5.427 -4.624 1.00 0.00 C ATOM 751 CZ3 TRP A 52 2.669 -5.646 -2.842 1.00 0.00 C ATOM 752 CH2 TRP A 52 2.969 -5.529 -4.209 1.00 0.00 C ATOM 0 H TRP A 52 8.542 -4.012 -0.183 1.00 0.00 H new ATOM 0 HA TRP A 52 5.616 -3.733 0.210 1.00 0.00 H new ATOM 0 HB2 TRP A 52 7.524 -6.115 0.081 1.00 0.00 H new ATOM 0 HB3 TRP A 52 5.800 -6.268 0.357 1.00 0.00 H new ATOM 0 HD1 TRP A 52 8.343 -5.380 -2.333 1.00 0.00 H new ATOM 0 HE1 TRP A 52 7.198 -5.271 -4.643 1.00 0.00 H new ATOM 0 HE3 TRP A 52 3.467 -5.756 -0.840 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 4.536 -5.337 -5.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 1.641 -5.723 -2.521 1.00 0.00 H new ATOM 0 HH2 TRP A 52 2.173 -5.518 -4.938 1.00 0.00 H new ATOM 763 N GLU A 53 5.669 -3.732 2.715 1.00 0.00 N ATOM 764 CA GLU A 53 5.672 -3.801 4.202 1.00 0.00 C ATOM 765 C GLU A 53 4.471 -4.626 4.678 1.00 0.00 C ATOM 766 O GLU A 53 3.454 -4.674 4.015 1.00 0.00 O ATOM 767 CB GLU A 53 5.580 -2.387 4.780 1.00 0.00 C ATOM 768 CG GLU A 53 6.987 -1.846 5.035 1.00 0.00 C ATOM 769 CD GLU A 53 6.896 -0.416 5.571 1.00 0.00 C ATOM 770 OE1 GLU A 53 5.873 0.213 5.353 1.00 0.00 O ATOM 771 OE2 GLU A 53 7.850 0.027 6.190 1.00 0.00 O ATOM 0 H GLU A 53 4.912 -3.182 2.308 1.00 0.00 H new ATOM 0 HA GLU A 53 6.595 -4.272 4.541 1.00 0.00 H new ATOM 0 HB2 GLU A 53 5.048 -1.734 4.088 1.00 0.00 H new ATOM 0 HB3 GLU A 53 5.010 -2.399 5.709 1.00 0.00 H new ATOM 0 HG2 GLU A 53 7.508 -2.481 5.751 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.567 -1.863 4.112 1.00 0.00 H new ATOM 778 N PRO A 54 4.631 -5.253 5.815 1.00 0.00 N ATOM 779 CA PRO A 54 3.577 -6.088 6.415 1.00 0.00 C ATOM 780 C PRO A 54 2.520 -5.211 7.093 1.00 0.00 C ATOM 781 O PRO A 54 2.815 -4.145 7.597 1.00 0.00 O ATOM 782 CB PRO A 54 4.332 -6.930 7.447 1.00 0.00 C ATOM 783 CG PRO A 54 5.627 -6.150 7.782 1.00 0.00 C ATOM 784 CD PRO A 54 5.875 -5.184 6.608 1.00 0.00 C ATOM 0 HA PRO A 54 3.043 -6.695 5.685 1.00 0.00 H new ATOM 0 HB2 PRO A 54 3.728 -7.082 8.341 1.00 0.00 H new ATOM 0 HB3 PRO A 54 4.565 -7.917 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 54 5.518 -5.602 8.718 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.468 -6.832 7.907 1.00 0.00 H new ATOM 0 HD2 PRO A 54 6.068 -4.170 6.960 1.00 0.00 H new ATOM 0 HD3 PRO A 54 6.741 -5.487 6.019 1.00 0.00 H new ATOM 792 N GLU A 55 1.292 -5.652 7.110 1.00 0.00 N ATOM 793 CA GLU A 55 0.220 -4.843 7.755 1.00 0.00 C ATOM 794 C GLU A 55 0.233 -5.088 9.267 1.00 0.00 C ATOM 795 O GLU A 55 -0.600 -4.584 9.994 1.00 0.00 O ATOM 796 CB GLU A 55 -1.139 -5.252 7.185 1.00 0.00 C ATOM 797 CG GLU A 55 -1.492 -6.662 7.664 1.00 0.00 C ATOM 798 CD GLU A 55 -2.140 -6.583 9.048 1.00 0.00 C ATOM 799 OE1 GLU A 55 -2.856 -5.627 9.291 1.00 0.00 O ATOM 800 OE2 GLU A 55 -1.908 -7.482 9.840 1.00 0.00 O ATOM 0 H GLU A 55 0.985 -6.537 6.706 1.00 0.00 H new ATOM 0 HA GLU A 55 0.395 -3.785 7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.906 -4.546 7.504 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.112 -5.223 6.096 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.173 -7.137 6.958 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.594 -7.279 7.706 1.00 0.00 H new ATOM 807 N GLU A 56 1.172 -5.859 9.747 1.00 0.00 N ATOM 808 CA GLU A 56 1.234 -6.133 11.210 1.00 0.00 C ATOM 809 C GLU A 56 2.004 -5.008 11.908 1.00 0.00 C ATOM 810 O GLU A 56 2.052 -4.936 13.120 1.00 0.00 O ATOM 811 CB GLU A 56 1.950 -7.464 11.449 1.00 0.00 C ATOM 812 CG GLU A 56 1.210 -8.581 10.709 1.00 0.00 C ATOM 813 CD GLU A 56 0.962 -9.750 11.665 1.00 0.00 C ATOM 814 OE1 GLU A 56 1.624 -9.804 12.688 1.00 0.00 O ATOM 815 OE2 GLU A 56 0.113 -10.571 11.357 1.00 0.00 O ATOM 0 H GLU A 56 1.897 -6.310 9.189 1.00 0.00 H new ATOM 0 HA GLU A 56 0.223 -6.186 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 56 2.981 -7.403 11.100 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.987 -7.683 12.516 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.262 -8.208 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.796 -8.915 9.853 1.00 0.00 H new ATOM 822 N ASN A 57 2.605 -4.130 11.153 1.00 0.00 N ATOM 823 CA ASN A 57 3.368 -3.011 11.774 1.00 0.00 C ATOM 824 C ASN A 57 3.008 -1.699 11.074 1.00 0.00 C ATOM 825 O ASN A 57 2.886 -0.663 11.699 1.00 0.00 O ATOM 826 CB ASN A 57 4.868 -3.272 11.626 1.00 0.00 C ATOM 827 CG ASN A 57 5.284 -4.411 12.558 1.00 0.00 C ATOM 828 OD1 ASN A 57 4.450 -5.150 13.042 1.00 0.00 O ATOM 829 ND2 ASN A 57 6.548 -4.587 12.830 1.00 0.00 N ATOM 0 H ASN A 57 2.601 -4.139 10.133 1.00 0.00 H new ATOM 0 HA ASN A 57 3.114 -2.941 12.832 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.103 -3.529 10.593 1.00 0.00 H new ATOM 0 HB3 ASN A 57 5.430 -2.369 11.865 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.836 -5.345 13.449 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.248 -3.967 12.424 1.00 0.00 H new ATOM 836 N LEU A 58 2.835 -1.736 9.782 1.00 0.00 N ATOM 837 CA LEU A 58 2.482 -0.492 9.041 1.00 0.00 C ATOM 838 C LEU A 58 1.362 0.242 9.783 1.00 0.00 C ATOM 839 O LEU A 58 0.319 -0.315 10.059 1.00 0.00 O ATOM 840 CB LEU A 58 2.008 -0.855 7.633 1.00 0.00 C ATOM 841 CG LEU A 58 3.107 -0.527 6.622 1.00 0.00 C ATOM 842 CD1 LEU A 58 2.630 -0.885 5.214 1.00 0.00 C ATOM 843 CD2 LEU A 58 3.429 0.968 6.685 1.00 0.00 C ATOM 0 H LEU A 58 2.923 -2.574 9.207 1.00 0.00 H new ATOM 0 HA LEU A 58 3.358 0.153 8.974 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.759 -1.915 7.584 1.00 0.00 H new ATOM 0 HB3 LEU A 58 1.100 -0.303 7.390 1.00 0.00 H new ATOM 0 HG LEU A 58 4.001 -1.103 6.860 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.414 -0.651 4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.400 -1.950 5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.735 -0.310 4.976 1.00 0.00 H new ATOM 0 HD21 LEU A 58 4.213 1.202 5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.534 1.543 6.448 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.770 1.225 7.688 1.00 0.00 H new ATOM 855 N ASP A 59 1.570 1.489 10.106 1.00 0.00 N ATOM 856 CA ASP A 59 0.516 2.255 10.829 1.00 0.00 C ATOM 857 C ASP A 59 -0.177 3.211 9.856 1.00 0.00 C ATOM 858 O ASP A 59 -0.152 4.413 10.026 1.00 0.00 O ATOM 859 CB ASP A 59 1.158 3.060 11.962 1.00 0.00 C ATOM 860 CG ASP A 59 0.062 3.664 12.842 1.00 0.00 C ATOM 861 OD1 ASP A 59 -0.967 4.036 12.302 1.00 0.00 O ATOM 862 OD2 ASP A 59 0.271 3.745 14.042 1.00 0.00 O ATOM 0 H ASP A 59 2.423 2.010 9.901 1.00 0.00 H new ATOM 0 HA ASP A 59 -0.217 1.563 11.243 1.00 0.00 H new ATOM 0 HB2 ASP A 59 1.805 2.417 12.558 1.00 0.00 H new ATOM 0 HB3 ASP A 59 1.786 3.850 11.551 1.00 0.00 H new ATOM 867 N CYS A 60 -0.798 2.684 8.835 1.00 0.00 N ATOM 868 CA CYS A 60 -1.493 3.562 7.852 1.00 0.00 C ATOM 869 C CYS A 60 -2.738 2.848 7.319 1.00 0.00 C ATOM 870 O CYS A 60 -2.691 2.216 6.283 1.00 0.00 O ATOM 871 CB CYS A 60 -0.547 3.875 6.690 1.00 0.00 C ATOM 872 SG CYS A 60 0.135 5.538 6.897 1.00 0.00 S ATOM 0 H CYS A 60 -0.854 1.684 8.640 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.789 4.491 8.340 1.00 0.00 H new ATOM 0 HB2 CYS A 60 0.259 3.142 6.656 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -1.082 3.805 5.743 1.00 0.00 H new ATOM 0 HG CYS A 60 -0.801 6.418 6.699 1.00 0.00 H new ATOM 878 N PRO A 61 -3.817 2.974 8.049 1.00 0.00 N ATOM 879 CA PRO A 61 -5.100 2.352 7.681 1.00 0.00 C ATOM 880 C PRO A 61 -5.793 3.166 6.586 1.00 0.00 C ATOM 881 O PRO A 61 -6.802 2.762 6.043 1.00 0.00 O ATOM 882 CB PRO A 61 -5.903 2.391 8.984 1.00 0.00 C ATOM 883 CG PRO A 61 -5.282 3.517 9.845 1.00 0.00 C ATOM 884 CD PRO A 61 -3.857 3.747 9.307 1.00 0.00 C ATOM 0 HA PRO A 61 -4.991 1.343 7.284 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.956 2.590 8.786 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.851 1.433 9.501 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.874 4.429 9.776 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.258 3.232 10.897 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.664 4.805 9.131 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.103 3.398 10.013 1.00 0.00 H new ATOM 892 N ASP A 62 -5.261 4.312 6.257 1.00 0.00 N ATOM 893 CA ASP A 62 -5.890 5.149 5.199 1.00 0.00 C ATOM 894 C ASP A 62 -5.289 4.784 3.841 1.00 0.00 C ATOM 895 O ASP A 62 -5.974 4.739 2.838 1.00 0.00 O ATOM 896 CB ASP A 62 -5.628 6.628 5.493 1.00 0.00 C ATOM 897 CG ASP A 62 -6.768 7.472 4.920 1.00 0.00 C ATOM 898 OD1 ASP A 62 -6.736 7.746 3.731 1.00 0.00 O ATOM 899 OD2 ASP A 62 -7.654 7.830 5.679 1.00 0.00 O ATOM 0 H ASP A 62 -4.418 4.704 6.676 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.965 4.969 5.183 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.548 6.787 6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.678 6.934 5.054 1.00 0.00 H new ATOM 904 N LEU A 63 -4.012 4.516 3.801 1.00 0.00 N ATOM 905 CA LEU A 63 -3.373 4.149 2.510 1.00 0.00 C ATOM 906 C LEU A 63 -3.747 2.710 2.167 1.00 0.00 C ATOM 907 O LEU A 63 -3.906 2.355 1.017 1.00 0.00 O ATOM 908 CB LEU A 63 -1.853 4.265 2.638 1.00 0.00 C ATOM 909 CG LEU A 63 -1.457 5.742 2.697 1.00 0.00 C ATOM 910 CD1 LEU A 63 -1.614 6.254 4.130 1.00 0.00 C ATOM 911 CD2 LEU A 63 0.001 5.895 2.259 1.00 0.00 C ATOM 0 H LEU A 63 -3.386 4.536 4.606 1.00 0.00 H new ATOM 0 HA LEU A 63 -3.718 4.820 1.723 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.513 3.750 3.536 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.368 3.781 1.790 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.100 6.319 2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.332 7.306 4.173 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.652 6.143 4.444 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.970 5.678 4.795 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.285 6.947 2.300 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.643 5.319 2.925 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.115 5.528 1.239 1.00 0.00 H new ATOM 923 N ILE A 64 -3.894 1.881 3.162 1.00 0.00 N ATOM 924 CA ILE A 64 -4.266 0.467 2.897 1.00 0.00 C ATOM 925 C ILE A 64 -5.714 0.418 2.412 1.00 0.00 C ATOM 926 O ILE A 64 -6.035 -0.248 1.446 1.00 0.00 O ATOM 927 CB ILE A 64 -4.126 -0.349 4.183 1.00 0.00 C ATOM 928 CG1 ILE A 64 -2.644 -0.477 4.546 1.00 0.00 C ATOM 929 CG2 ILE A 64 -4.719 -1.744 3.971 1.00 0.00 C ATOM 930 CD1 ILE A 64 -2.513 -0.995 5.980 1.00 0.00 C ATOM 0 H ILE A 64 -3.772 2.122 4.146 1.00 0.00 H new ATOM 0 HA ILE A 64 -3.608 0.048 2.135 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.658 0.153 4.991 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -2.147 -1.158 3.855 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -2.150 0.490 4.451 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -4.619 -2.325 4.888 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -5.774 -1.655 3.711 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -4.187 -2.247 3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.458 -1.086 6.239 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -2.996 -0.297 6.664 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -2.992 -1.971 6.059 1.00 0.00 H new ATOM 942 N ALA A 65 -6.591 1.124 3.071 1.00 0.00 N ATOM 943 CA ALA A 65 -8.018 1.126 2.647 1.00 0.00 C ATOM 944 C ALA A 65 -8.202 2.103 1.485 1.00 0.00 C ATOM 945 O ALA A 65 -9.291 2.273 0.973 1.00 0.00 O ATOM 946 CB ALA A 65 -8.897 1.558 3.822 1.00 0.00 C ATOM 0 H ALA A 65 -6.380 1.700 3.886 1.00 0.00 H new ATOM 0 HA ALA A 65 -8.305 0.124 2.328 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -9.942 1.560 3.513 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -8.765 0.862 4.650 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -8.611 2.560 4.141 1.00 0.00 H new ATOM 952 N GLU A 66 -7.148 2.749 1.064 1.00 0.00 N ATOM 953 CA GLU A 66 -7.271 3.713 -0.065 1.00 0.00 C ATOM 954 C GLU A 66 -7.014 2.986 -1.385 1.00 0.00 C ATOM 955 O GLU A 66 -7.588 3.311 -2.407 1.00 0.00 O ATOM 956 CB GLU A 66 -6.247 4.836 0.108 1.00 0.00 C ATOM 957 CG GLU A 66 -6.193 5.679 -1.167 1.00 0.00 C ATOM 958 CD GLU A 66 -7.514 6.434 -1.336 1.00 0.00 C ATOM 959 OE1 GLU A 66 -7.907 7.116 -0.405 1.00 0.00 O ATOM 960 OE2 GLU A 66 -8.108 6.316 -2.394 1.00 0.00 O ATOM 0 H GLU A 66 -6.210 2.651 1.452 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.275 4.137 -0.073 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.518 5.461 0.959 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.264 4.416 0.321 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.363 6.384 -1.115 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.014 5.039 -2.031 1.00 0.00 H new ATOM 967 N PHE A 67 -6.153 2.005 -1.376 1.00 0.00 N ATOM 968 CA PHE A 67 -5.861 1.259 -2.632 1.00 0.00 C ATOM 969 C PHE A 67 -6.587 -0.087 -2.610 1.00 0.00 C ATOM 970 O PHE A 67 -6.935 -0.632 -3.638 1.00 0.00 O ATOM 971 CB PHE A 67 -4.353 1.023 -2.745 1.00 0.00 C ATOM 972 CG PHE A 67 -4.066 0.176 -3.962 1.00 0.00 C ATOM 973 CD1 PHE A 67 -4.325 -1.200 -3.935 1.00 0.00 C ATOM 974 CD2 PHE A 67 -3.540 0.767 -5.119 1.00 0.00 C ATOM 975 CE1 PHE A 67 -4.059 -1.986 -5.064 1.00 0.00 C ATOM 976 CE2 PHE A 67 -3.274 -0.019 -6.249 1.00 0.00 C ATOM 977 CZ PHE A 67 -3.535 -1.396 -6.220 1.00 0.00 C ATOM 0 H PHE A 67 -5.640 1.688 -0.553 1.00 0.00 H new ATOM 0 HA PHE A 67 -6.204 1.841 -3.487 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -3.830 1.976 -2.820 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -3.984 0.526 -1.848 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -4.730 -1.656 -3.043 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -3.340 1.828 -5.140 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -4.258 -3.047 -5.042 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -2.869 0.436 -7.141 1.00 0.00 H new ATOM 0 HZ PHE A 67 -3.332 -2.002 -7.090 1.00 0.00 H new ATOM 987 N LEU A 68 -6.820 -0.631 -1.445 1.00 0.00 N ATOM 988 CA LEU A 68 -7.523 -1.942 -1.366 1.00 0.00 C ATOM 989 C LEU A 68 -9.021 -1.732 -1.612 1.00 0.00 C ATOM 990 O LEU A 68 -9.754 -2.665 -1.871 1.00 0.00 O ATOM 991 CB LEU A 68 -7.289 -2.567 0.020 1.00 0.00 C ATOM 992 CG LEU A 68 -8.298 -2.021 1.036 1.00 0.00 C ATOM 993 CD1 LEU A 68 -9.617 -2.787 0.912 1.00 0.00 C ATOM 994 CD2 LEU A 68 -7.743 -2.201 2.452 1.00 0.00 C ATOM 0 H LEU A 68 -6.554 -0.225 -0.548 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.132 -2.618 -2.127 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.380 -3.651 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.274 -2.352 0.355 1.00 0.00 H new ATOM 0 HG LEU A 68 -8.471 -0.963 0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -10.333 -2.397 1.635 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.015 -2.665 -0.095 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -9.443 -3.845 1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.460 -1.813 3.176 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.571 -3.260 2.644 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -6.803 -1.658 2.546 1.00 0.00 H new ATOM 1006 N GLN A 69 -9.477 -0.512 -1.536 1.00 0.00 N ATOM 1007 CA GLN A 69 -10.924 -0.241 -1.766 1.00 0.00 C ATOM 1008 C GLN A 69 -11.117 0.320 -3.176 1.00 0.00 C ATOM 1009 O GLN A 69 -12.134 0.110 -3.806 1.00 0.00 O ATOM 1010 CB GLN A 69 -11.422 0.778 -0.739 1.00 0.00 C ATOM 1011 CG GLN A 69 -12.928 0.604 -0.536 1.00 0.00 C ATOM 1012 CD GLN A 69 -13.429 1.636 0.477 1.00 0.00 C ATOM 1013 OE1 GLN A 69 -12.670 2.457 0.952 1.00 0.00 O ATOM 1014 NE2 GLN A 69 -14.686 1.629 0.830 1.00 0.00 N ATOM 0 H GLN A 69 -8.910 0.309 -1.325 1.00 0.00 H new ATOM 0 HA GLN A 69 -11.489 -1.167 -1.661 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -10.899 0.642 0.207 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -11.205 1.790 -1.080 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.450 0.727 -1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -13.144 -0.404 -0.181 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -15.324 0.940 0.432 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -15.030 2.313 1.504 1.00 0.00 H new ATOM 1023 N SER A 70 -10.145 1.032 -3.680 1.00 0.00 N ATOM 1024 CA SER A 70 -10.272 1.604 -5.050 1.00 0.00 C ATOM 1025 C SER A 70 -10.540 0.475 -6.046 1.00 0.00 C ATOM 1026 O SER A 70 -11.377 0.592 -6.919 1.00 0.00 O ATOM 1027 CB SER A 70 -8.974 2.319 -5.427 1.00 0.00 C ATOM 1028 OG SER A 70 -8.985 3.631 -4.878 1.00 0.00 O ATOM 0 H SER A 70 -9.269 1.242 -3.202 1.00 0.00 H new ATOM 0 HA SER A 70 -11.097 2.316 -5.073 1.00 0.00 H new ATOM 0 HB2 SER A 70 -8.116 1.762 -5.051 1.00 0.00 H new ATOM 0 HB3 SER A 70 -8.873 2.367 -6.511 1.00 0.00 H new ATOM 0 HG SER A 70 -8.523 3.628 -4.013 1.00 0.00 H new ATOM 1034 N GLN A 71 -9.837 -0.618 -5.923 1.00 0.00 N ATOM 1035 CA GLN A 71 -10.056 -1.753 -6.864 1.00 0.00 C ATOM 1036 C GLN A 71 -11.557 -1.993 -7.027 1.00 0.00 C ATOM 1037 O GLN A 71 -12.027 -2.353 -8.088 1.00 0.00 O ATOM 1038 CB GLN A 71 -9.394 -3.014 -6.305 1.00 0.00 C ATOM 1039 CG GLN A 71 -9.485 -3.006 -4.778 1.00 0.00 C ATOM 1040 CD GLN A 71 -9.399 -4.441 -4.253 1.00 0.00 C ATOM 1041 OE1 GLN A 71 -10.407 -5.070 -4.004 1.00 0.00 O ATOM 1042 NE2 GLN A 71 -8.227 -4.988 -4.074 1.00 0.00 N ATOM 0 H GLN A 71 -9.122 -0.774 -5.213 1.00 0.00 H new ATOM 0 HA GLN A 71 -9.618 -1.514 -7.833 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -9.884 -3.902 -6.704 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.351 -3.058 -6.617 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.678 -2.405 -4.358 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.422 -2.547 -4.461 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -7.380 -4.459 -4.283 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.158 -5.944 -3.725 1.00 0.00 H new