USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 590 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 67 ASN : amide:sc= -0.0197 K(o=0.36,f=-5.5!) USER MOD Set 1.2: A 69 SER OG : rot 27:sc= 0.377 USER MOD Single : A 19 MET CE :methyl -126:sc= -0.287 (180deg=-2.02!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 37 LYS NZ :NH3+ -171:sc= -0.188 (180deg=-0.26) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 33:sc= -0.563 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.011 USER MOD Single : A 47 THR OG1 : rot -114:sc= 1.29 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN :FLIP amide:sc= -5.4! C(o=-5.9!,f=-5.4!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.0014) USER MOD Single : A 74 GLN : amide:sc= -0.0314 K(o=-0.031,f=-0.78) USER MOD Single : A 75 TYR OH : rot 101:sc= 0.27 USER MOD Single : A 77 LYS NZ :NH3+ -160:sc= -0.206 (180deg=-0.728) USER MOD Single : A 78 CYS SG : rot -128:sc= -0.533 USER MOD Single : A 81 LYS NZ :NH3+ 156:sc= -0.14 (180deg=-0.531) USER MOD Single : A 82 TYR OH : rot 180:sc= -0.374 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -169:sc= 0.142 (180deg=0.106) USER MOD ----------------------------------------------------------------- ATOM 228 N MET A 19 13.089 -8.091 4.037 1.00 0.00 N ATOM 229 CA MET A 19 12.821 -7.226 2.895 1.00 0.00 C ATOM 230 C MET A 19 12.771 -5.761 3.319 1.00 0.00 C ATOM 231 O MET A 19 13.428 -4.909 2.723 1.00 0.00 O ATOM 232 CB MET A 19 11.503 -7.621 2.228 1.00 0.00 C ATOM 233 CG MET A 19 11.614 -8.858 1.350 1.00 0.00 C ATOM 234 SD MET A 19 11.277 -8.514 -0.389 1.00 0.00 S ATOM 235 CE MET A 19 9.534 -8.111 -0.324 1.00 0.00 C ATOM 0 HA MET A 19 13.634 -7.350 2.180 1.00 0.00 H new ATOM 0 HB2 MET A 19 10.754 -7.799 2.999 1.00 0.00 H new ATOM 0 HB3 MET A 19 11.147 -6.787 1.624 1.00 0.00 H new ATOM 0 HG2 MET A 19 12.616 -9.277 1.445 1.00 0.00 H new ATOM 0 HG3 MET A 19 10.917 -9.615 1.708 1.00 0.00 H new ATOM 0 HE1 MET A 19 8.989 -8.738 -1.029 1.00 0.00 H new ATOM 0 HE2 MET A 19 9.157 -8.286 0.684 1.00 0.00 H new ATOM 0 HE3 MET A 19 9.393 -7.063 -0.587 1.00 0.00 H new ATOM 245 N LEU A 20 11.986 -5.476 4.354 1.00 0.00 N ATOM 246 CA LEU A 20 11.850 -4.114 4.857 1.00 0.00 C ATOM 247 C LEU A 20 13.173 -3.611 5.427 1.00 0.00 C ATOM 248 O LEU A 20 13.470 -2.417 5.371 1.00 0.00 O ATOM 249 CB LEU A 20 10.760 -4.051 5.930 1.00 0.00 C ATOM 250 CG LEU A 20 9.353 -3.759 5.406 1.00 0.00 C ATOM 251 CD1 LEU A 20 8.311 -4.498 6.232 1.00 0.00 C ATOM 252 CD2 LEU A 20 9.081 -2.263 5.417 1.00 0.00 C ATOM 0 H LEU A 20 11.435 -6.170 4.860 1.00 0.00 H new ATOM 0 HA LEU A 20 11.566 -3.471 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 20 10.742 -5.001 6.465 1.00 0.00 H new ATOM 0 HB3 LEU A 20 11.028 -3.282 6.654 1.00 0.00 H new ATOM 0 HG LEU A 20 9.288 -4.113 4.377 1.00 0.00 H new ATOM 0 HD11 LEU A 20 7.316 -4.278 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 20 8.494 -5.571 6.173 1.00 0.00 H new ATOM 0 HD13 LEU A 20 8.375 -4.175 7.271 1.00 0.00 H new ATOM 0 HD21 LEU A 20 8.076 -2.073 5.041 1.00 0.00 H new ATOM 0 HD22 LEU A 20 9.165 -1.885 6.436 1.00 0.00 H new ATOM 0 HD23 LEU A 20 9.808 -1.756 4.782 1.00 0.00 H new ATOM 264 N THR A 21 13.963 -4.528 5.975 1.00 0.00 N ATOM 265 CA THR A 21 15.254 -4.176 6.556 1.00 0.00 C ATOM 266 C THR A 21 16.327 -4.079 5.476 1.00 0.00 C ATOM 267 O THR A 21 17.106 -3.126 5.445 1.00 0.00 O ATOM 268 CB THR A 21 15.663 -5.211 7.605 1.00 0.00 C ATOM 269 OG1 THR A 21 14.566 -5.545 8.435 1.00 0.00 O ATOM 270 CG2 THR A 21 16.790 -4.741 8.499 1.00 0.00 C ATOM 0 H THR A 21 13.732 -5.520 6.029 1.00 0.00 H new ATOM 0 HA THR A 21 15.156 -3.202 7.035 1.00 0.00 H new ATOM 0 HB THR A 21 16.006 -6.077 7.039 1.00 0.00 H new ATOM 0 HG1 THR A 21 14.848 -6.209 9.098 1.00 0.00 H new ATOM 0 HG21 THR A 21 17.032 -5.521 9.220 1.00 0.00 H new ATOM 0 HG22 THR A 21 17.669 -4.523 7.892 1.00 0.00 H new ATOM 0 HG23 THR A 21 16.482 -3.840 9.029 1.00 0.00 H new ATOM 278 N SER A 22 16.363 -5.071 4.592 1.00 0.00 N ATOM 279 CA SER A 22 17.340 -5.096 3.510 1.00 0.00 C ATOM 280 C SER A 22 17.188 -3.876 2.608 1.00 0.00 C ATOM 281 O SER A 22 18.165 -3.381 2.046 1.00 0.00 O ATOM 282 CB SER A 22 17.187 -6.378 2.688 1.00 0.00 C ATOM 283 OG SER A 22 18.449 -6.965 2.420 1.00 0.00 O ATOM 0 H SER A 22 15.727 -5.868 4.604 1.00 0.00 H new ATOM 0 HA SER A 22 18.336 -5.073 3.953 1.00 0.00 H new ATOM 0 HB2 SER A 22 16.560 -7.087 3.228 1.00 0.00 H new ATOM 0 HB3 SER A 22 16.680 -6.154 1.750 1.00 0.00 H new ATOM 0 HG SER A 22 18.324 -7.783 1.895 1.00 0.00 H new ATOM 289 N LEU A 23 15.956 -3.394 2.476 1.00 0.00 N ATOM 290 CA LEU A 23 15.676 -2.231 1.642 1.00 0.00 C ATOM 291 C LEU A 23 15.875 -0.939 2.426 1.00 0.00 C ATOM 292 O LEU A 23 16.431 0.032 1.912 1.00 0.00 O ATOM 293 CB LEU A 23 14.246 -2.298 1.101 1.00 0.00 C ATOM 294 CG LEU A 23 13.957 -3.483 0.178 1.00 0.00 C ATOM 295 CD1 LEU A 23 12.459 -3.690 0.029 1.00 0.00 C ATOM 296 CD2 LEU A 23 14.606 -3.268 -1.182 1.00 0.00 C ATOM 0 H LEU A 23 15.136 -3.791 2.936 1.00 0.00 H new ATOM 0 HA LEU A 23 16.375 -2.238 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 23 13.556 -2.337 1.944 1.00 0.00 H new ATOM 0 HB3 LEU A 23 14.035 -1.376 0.560 1.00 0.00 H new ATOM 0 HG LEU A 23 14.384 -4.381 0.625 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.273 -4.537 -0.631 1.00 0.00 H new ATOM 0 HD12 LEU A 23 12.020 -3.888 1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.008 -2.793 -0.396 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.391 -4.120 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.208 -2.360 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 23 15.685 -3.169 -1.059 1.00 0.00 H new ATOM 308 N GLY A 24 15.417 -0.933 3.673 1.00 0.00 N ATOM 309 CA GLY A 24 15.554 0.247 4.508 1.00 0.00 C ATOM 310 C GLY A 24 14.253 1.013 4.648 1.00 0.00 C ATOM 311 O GLY A 24 14.259 2.228 4.843 1.00 0.00 O ATOM 0 H GLY A 24 14.953 -1.724 4.121 1.00 0.00 H new ATOM 0 HA2 GLY A 24 15.905 -0.050 5.496 1.00 0.00 H new ATOM 0 HA3 GLY A 24 16.314 0.903 4.083 1.00 0.00 H new ATOM 315 N LEU A 25 13.136 0.301 4.547 1.00 0.00 N ATOM 316 CA LEU A 25 11.822 0.922 4.663 1.00 0.00 C ATOM 317 C LEU A 25 11.194 0.615 6.018 1.00 0.00 C ATOM 318 O LEU A 25 11.406 -0.458 6.583 1.00 0.00 O ATOM 319 CB LEU A 25 10.903 0.434 3.541 1.00 0.00 C ATOM 320 CG LEU A 25 11.390 0.749 2.125 1.00 0.00 C ATOM 321 CD1 LEU A 25 10.905 -0.311 1.147 1.00 0.00 C ATOM 322 CD2 LEU A 25 10.917 2.130 1.695 1.00 0.00 C ATOM 0 H LEU A 25 13.114 -0.706 4.385 1.00 0.00 H new ATOM 0 HA LEU A 25 11.949 2.001 4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 25 10.780 -0.645 3.635 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.918 0.880 3.678 1.00 0.00 H new ATOM 0 HG LEU A 25 12.480 0.743 2.125 1.00 0.00 H new ATOM 0 HD11 LEU A 25 11.260 -0.071 0.145 1.00 0.00 H new ATOM 0 HD12 LEU A 25 11.291 -1.286 1.446 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.815 -0.337 1.149 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.272 2.338 0.686 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.828 2.163 1.710 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.312 2.880 2.380 1.00 0.00 H new ATOM 334 N LYS A 26 10.419 1.564 6.534 1.00 0.00 N ATOM 335 CA LYS A 26 9.759 1.394 7.824 1.00 0.00 C ATOM 336 C LYS A 26 8.388 2.060 7.826 1.00 0.00 C ATOM 337 O LYS A 26 8.155 3.026 7.099 1.00 0.00 O ATOM 338 CB LYS A 26 10.625 1.978 8.942 1.00 0.00 C ATOM 339 CG LYS A 26 10.305 1.413 10.316 1.00 0.00 C ATOM 340 CD LYS A 26 10.818 2.319 11.425 1.00 0.00 C ATOM 341 CE LYS A 26 9.807 3.399 11.774 1.00 0.00 C ATOM 342 NZ LYS A 26 8.866 2.956 12.839 1.00 0.00 N ATOM 0 H LYS A 26 10.233 2.458 6.079 1.00 0.00 H new ATOM 0 HA LYS A 26 9.623 0.327 7.998 1.00 0.00 H new ATOM 0 HB2 LYS A 26 11.674 1.788 8.715 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.495 3.060 8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.227 1.288 10.417 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.752 0.424 10.417 1.00 0.00 H new ATOM 0 HD2 LYS A 26 11.036 1.723 12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.754 2.782 11.114 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.333 4.295 12.104 1.00 0.00 H new ATOM 0 HE3 LYS A 26 9.243 3.670 10.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 8.193 3.721 13.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 8.346 2.116 12.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.401 2.721 13.699 1.00 0.00 H new ATOM 356 N LEU A 27 7.483 1.538 8.646 1.00 0.00 N ATOM 357 CA LEU A 27 6.133 2.083 8.742 1.00 0.00 C ATOM 358 C LEU A 27 6.167 3.540 9.192 1.00 0.00 C ATOM 359 O LEU A 27 6.580 3.846 10.311 1.00 0.00 O ATOM 360 CB LEU A 27 5.295 1.255 9.718 1.00 0.00 C ATOM 361 CG LEU A 27 4.942 -0.153 9.235 1.00 0.00 C ATOM 362 CD1 LEU A 27 4.923 -1.129 10.401 1.00 0.00 C ATOM 363 CD2 LEU A 27 3.598 -0.149 8.520 1.00 0.00 C ATOM 0 H LEU A 27 7.659 0.738 9.254 1.00 0.00 H new ATOM 0 HA LEU A 27 5.677 2.037 7.753 1.00 0.00 H new ATOM 0 HB2 LEU A 27 5.837 1.174 10.660 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.371 1.793 9.927 1.00 0.00 H new ATOM 0 HG LEU A 27 5.707 -0.477 8.529 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.670 -2.125 10.038 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.906 -1.153 10.871 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.179 -0.809 11.131 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.362 -1.158 8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.823 0.195 9.204 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.645 0.519 7.660 1.00 0.00 H new ATOM 375 N GLY A 28 5.729 4.435 8.312 1.00 0.00 N ATOM 376 CA GLY A 28 5.717 5.850 8.636 1.00 0.00 C ATOM 377 C GLY A 28 6.789 6.624 7.894 1.00 0.00 C ATOM 378 O GLY A 28 7.264 7.654 8.374 1.00 0.00 O ATOM 0 H GLY A 28 5.382 4.206 7.381 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.739 6.267 8.394 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.860 5.975 9.709 1.00 0.00 H new ATOM 382 N ASP A 29 7.170 6.128 6.722 1.00 0.00 N ATOM 383 CA ASP A 29 8.192 6.780 5.912 1.00 0.00 C ATOM 384 C ASP A 29 7.673 7.062 4.504 1.00 0.00 C ATOM 385 O ASP A 29 6.680 6.478 4.070 1.00 0.00 O ATOM 386 CB ASP A 29 9.448 5.910 5.838 1.00 0.00 C ATOM 387 CG ASP A 29 10.227 5.909 7.139 1.00 0.00 C ATOM 388 OD1 ASP A 29 9.920 5.072 8.015 1.00 0.00 O ATOM 389 OD2 ASP A 29 11.144 6.744 7.283 1.00 0.00 O ATOM 0 H ASP A 29 6.786 5.277 6.312 1.00 0.00 H new ATOM 0 HA ASP A 29 8.443 7.729 6.386 1.00 0.00 H new ATOM 0 HB2 ASP A 29 9.165 4.888 5.586 1.00 0.00 H new ATOM 0 HB3 ASP A 29 10.089 6.270 5.034 1.00 0.00 H new ATOM 394 N ARG A 30 8.351 7.960 3.798 1.00 0.00 N ATOM 395 CA ARG A 30 7.958 8.319 2.440 1.00 0.00 C ATOM 396 C ARG A 30 8.465 7.289 1.436 1.00 0.00 C ATOM 397 O ARG A 30 9.672 7.141 1.240 1.00 0.00 O ATOM 398 CB ARG A 30 8.496 9.705 2.081 1.00 0.00 C ATOM 399 CG ARG A 30 7.571 10.841 2.489 1.00 0.00 C ATOM 400 CD ARG A 30 6.555 11.150 1.401 1.00 0.00 C ATOM 401 NE ARG A 30 6.243 12.576 1.330 1.00 0.00 N ATOM 402 CZ ARG A 30 5.317 13.093 0.527 1.00 0.00 C ATOM 403 NH1 ARG A 30 4.609 12.306 -0.274 1.00 0.00 N ATOM 404 NH2 ARG A 30 5.096 14.400 0.526 1.00 0.00 N ATOM 0 H ARG A 30 9.175 8.453 4.143 1.00 0.00 H new ATOM 0 HA ARG A 30 6.869 8.336 2.397 1.00 0.00 H new ATOM 0 HB2 ARG A 30 9.464 9.845 2.562 1.00 0.00 H new ATOM 0 HB3 ARG A 30 8.664 9.753 1.005 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.051 10.575 3.409 1.00 0.00 H new ATOM 0 HG3 ARG A 30 8.160 11.733 2.702 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.942 10.816 0.438 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.640 10.588 1.589 1.00 0.00 H new ATOM 0 HE ARG A 30 6.766 13.212 1.932 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.774 11.299 -0.276 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.900 12.708 -0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.636 15.009 1.141 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.386 14.797 -0.090 1.00 0.00 H new ATOM 418 N VAL A 31 7.537 6.579 0.805 1.00 0.00 N ATOM 419 CA VAL A 31 7.890 5.562 -0.179 1.00 0.00 C ATOM 420 C VAL A 31 7.496 5.998 -1.587 1.00 0.00 C ATOM 421 O VAL A 31 6.948 7.084 -1.780 1.00 0.00 O ATOM 422 CB VAL A 31 7.212 4.216 0.136 1.00 0.00 C ATOM 423 CG1 VAL A 31 7.820 3.590 1.382 1.00 0.00 C ATOM 424 CG2 VAL A 31 5.711 4.398 0.300 1.00 0.00 C ATOM 0 H VAL A 31 6.534 6.689 0.957 1.00 0.00 H new ATOM 0 HA VAL A 31 8.972 5.437 -0.129 1.00 0.00 H new ATOM 0 HB VAL A 31 7.382 3.540 -0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 31 7.328 2.640 1.589 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.885 3.420 1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.684 4.261 2.230 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.250 3.436 0.522 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.516 5.091 1.118 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.290 4.798 -0.623 1.00 0.00 H new ATOM 434 N VAL A 32 7.778 5.146 -2.566 1.00 0.00 N ATOM 435 CA VAL A 32 7.454 5.444 -3.955 1.00 0.00 C ATOM 436 C VAL A 32 7.114 4.171 -4.725 1.00 0.00 C ATOM 437 O VAL A 32 7.652 3.101 -4.444 1.00 0.00 O ATOM 438 CB VAL A 32 8.617 6.168 -4.661 1.00 0.00 C ATOM 439 CG1 VAL A 32 9.862 5.293 -4.682 1.00 0.00 C ATOM 440 CG2 VAL A 32 8.219 6.576 -6.072 1.00 0.00 C ATOM 0 H VAL A 32 8.230 4.243 -2.423 1.00 0.00 H new ATOM 0 HA VAL A 32 6.584 6.100 -3.944 1.00 0.00 H new ATOM 0 HB VAL A 32 8.848 7.073 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 32 10.671 5.823 -5.185 1.00 0.00 H new ATOM 0 HG12 VAL A 32 10.161 5.061 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 32 9.647 4.368 -5.216 1.00 0.00 H new ATOM 0 HG21 VAL A 32 9.054 7.085 -6.553 1.00 0.00 H new ATOM 0 HG22 VAL A 32 7.956 5.688 -6.647 1.00 0.00 H new ATOM 0 HG23 VAL A 32 7.361 7.247 -6.028 1.00 0.00 H new ATOM 450 N ILE A 33 6.216 4.297 -5.698 1.00 0.00 N ATOM 451 CA ILE A 33 5.803 3.157 -6.509 1.00 0.00 C ATOM 452 C ILE A 33 6.587 3.101 -7.816 1.00 0.00 C ATOM 453 O ILE A 33 6.348 3.892 -8.729 1.00 0.00 O ATOM 454 CB ILE A 33 4.297 3.210 -6.829 1.00 0.00 C ATOM 455 CG1 ILE A 33 3.490 3.457 -5.553 1.00 0.00 C ATOM 456 CG2 ILE A 33 3.852 1.922 -7.504 1.00 0.00 C ATOM 457 CD1 ILE A 33 2.085 3.955 -5.815 1.00 0.00 C ATOM 0 H ILE A 33 5.761 5.176 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 33 6.010 2.261 -5.924 1.00 0.00 H new ATOM 0 HB ILE A 33 4.116 4.037 -7.516 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.438 2.531 -4.980 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.016 4.185 -4.935 1.00 0.00 H new ATOM 0 HG21 ILE A 33 2.786 1.976 -7.723 1.00 0.00 H new ATOM 0 HG22 ILE A 33 4.407 1.787 -8.432 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.044 1.079 -6.841 1.00 0.00 H new ATOM 0 HD11 ILE A 33 1.571 4.109 -4.866 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.129 4.897 -6.361 1.00 0.00 H new ATOM 0 HD13 ILE A 33 1.542 3.218 -6.407 1.00 0.00 H new ATOM 469 N ALA A 34 7.523 2.162 -7.898 1.00 0.00 N ATOM 470 CA ALA A 34 8.343 2.002 -9.094 1.00 0.00 C ATOM 471 C ALA A 34 9.143 3.268 -9.385 1.00 0.00 C ATOM 472 O ALA A 34 9.459 3.562 -10.539 1.00 0.00 O ATOM 473 CB ALA A 34 7.470 1.641 -10.287 1.00 0.00 C ATOM 0 H ALA A 34 7.733 1.500 -7.151 1.00 0.00 H new ATOM 0 HA ALA A 34 9.049 1.191 -8.915 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.094 1.525 -11.173 1.00 0.00 H new ATOM 0 HB2 ALA A 34 6.948 0.706 -10.086 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.742 2.434 -10.458 1.00 0.00 H new ATOM 479 N GLY A 35 9.467 4.013 -8.334 1.00 0.00 N ATOM 480 CA GLY A 35 10.229 5.239 -8.499 1.00 0.00 C ATOM 481 C GLY A 35 9.539 6.232 -9.412 1.00 0.00 C ATOM 482 O GLY A 35 10.185 6.884 -10.233 1.00 0.00 O ATOM 0 H GLY A 35 9.216 3.791 -7.371 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.389 5.698 -7.523 1.00 0.00 H new ATOM 0 HA3 GLY A 35 11.212 5.000 -8.904 1.00 0.00 H new ATOM 486 N GLN A 36 8.223 6.348 -9.272 1.00 0.00 N ATOM 487 CA GLN A 36 7.444 7.271 -10.091 1.00 0.00 C ATOM 488 C GLN A 36 6.383 7.979 -9.256 1.00 0.00 C ATOM 489 O GLN A 36 6.286 9.206 -9.267 1.00 0.00 O ATOM 490 CB GLN A 36 6.783 6.522 -11.249 1.00 0.00 C ATOM 491 CG GLN A 36 7.646 6.451 -12.499 1.00 0.00 C ATOM 492 CD GLN A 36 7.023 5.602 -13.590 1.00 0.00 C ATOM 493 OE1 GLN A 36 5.800 5.482 -13.676 1.00 0.00 O ATOM 494 NE2 GLN A 36 7.862 5.009 -14.431 1.00 0.00 N ATOM 0 H GLN A 36 7.673 5.814 -8.599 1.00 0.00 H new ATOM 0 HA GLN A 36 8.123 8.023 -10.493 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.542 5.509 -10.926 1.00 0.00 H new ATOM 0 HB3 GLN A 36 5.840 7.010 -11.496 1.00 0.00 H new ATOM 0 HG2 GLN A 36 7.813 7.459 -12.879 1.00 0.00 H new ATOM 0 HG3 GLN A 36 8.623 6.043 -12.239 1.00 0.00 H new ATOM 0 HE21 GLN A 36 8.868 5.136 -14.322 1.00 0.00 H new ATOM 0 HE22 GLN A 36 7.500 4.426 -15.186 1.00 0.00 H new ATOM 503 N LYS A 37 5.588 7.197 -8.532 1.00 0.00 N ATOM 504 CA LYS A 37 4.533 7.750 -7.690 1.00 0.00 C ATOM 505 C LYS A 37 4.957 7.764 -6.226 1.00 0.00 C ATOM 506 O LYS A 37 5.188 6.714 -5.626 1.00 0.00 O ATOM 507 CB LYS A 37 3.246 6.941 -7.853 1.00 0.00 C ATOM 508 CG LYS A 37 2.402 7.372 -9.043 1.00 0.00 C ATOM 509 CD LYS A 37 0.981 7.716 -8.628 1.00 0.00 C ATOM 510 CE LYS A 37 0.176 6.467 -8.312 1.00 0.00 C ATOM 511 NZ LYS A 37 -1.260 6.623 -8.678 1.00 0.00 N ATOM 0 H LYS A 37 5.654 6.179 -8.512 1.00 0.00 H new ATOM 0 HA LYS A 37 4.351 8.777 -8.006 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.501 5.887 -7.962 1.00 0.00 H new ATOM 0 HB3 LYS A 37 2.651 7.033 -6.944 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.861 8.237 -9.521 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.382 6.572 -9.784 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.003 8.367 -7.754 1.00 0.00 H new ATOM 0 HD3 LYS A 37 0.492 8.273 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.597 5.618 -8.850 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.257 6.242 -7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -1.802 5.815 -8.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -1.629 7.504 -8.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -1.352 6.659 -9.713 1.00 0.00 H new ATOM 525 N VAL A 38 5.055 8.960 -5.655 1.00 0.00 N ATOM 526 CA VAL A 38 5.450 9.110 -4.259 1.00 0.00 C ATOM 527 C VAL A 38 4.242 9.020 -3.335 1.00 0.00 C ATOM 528 O VAL A 38 3.139 9.432 -3.695 1.00 0.00 O ATOM 529 CB VAL A 38 6.167 10.452 -4.020 1.00 0.00 C ATOM 530 CG1 VAL A 38 6.745 10.506 -2.614 1.00 0.00 C ATOM 531 CG2 VAL A 38 7.254 10.670 -5.061 1.00 0.00 C ATOM 0 H VAL A 38 4.866 9.839 -6.137 1.00 0.00 H new ATOM 0 HA VAL A 38 6.138 8.295 -4.034 1.00 0.00 H new ATOM 0 HB VAL A 38 5.437 11.255 -4.118 1.00 0.00 H new ATOM 0 HG11 VAL A 38 7.248 11.461 -2.464 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.941 10.401 -1.886 1.00 0.00 H new ATOM 0 HG13 VAL A 38 7.461 9.695 -2.484 1.00 0.00 H new ATOM 0 HG21 VAL A 38 7.749 11.623 -4.876 1.00 0.00 H new ATOM 0 HG22 VAL A 38 7.984 9.863 -4.999 1.00 0.00 H new ATOM 0 HG23 VAL A 38 6.808 10.680 -6.056 1.00 0.00 H new ATOM 541 N GLY A 39 4.457 8.479 -2.140 1.00 0.00 N ATOM 542 CA GLY A 39 3.375 8.345 -1.181 1.00 0.00 C ATOM 543 C GLY A 39 3.870 7.978 0.204 1.00 0.00 C ATOM 544 O GLY A 39 5.063 7.743 0.403 1.00 0.00 O ATOM 0 H GLY A 39 5.360 8.131 -1.819 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.822 9.283 -1.129 1.00 0.00 H new ATOM 0 HA3 GLY A 39 2.678 7.582 -1.528 1.00 0.00 H new ATOM 548 N THR A 40 2.953 7.930 1.164 1.00 0.00 N ATOM 549 CA THR A 40 3.302 7.588 2.538 1.00 0.00 C ATOM 550 C THR A 40 2.890 6.158 2.865 1.00 0.00 C ATOM 551 O THR A 40 1.712 5.809 2.801 1.00 0.00 O ATOM 552 CB THR A 40 2.632 8.560 3.512 1.00 0.00 C ATOM 553 OG1 THR A 40 2.428 9.821 2.901 1.00 0.00 O ATOM 554 CG2 THR A 40 3.431 8.785 4.778 1.00 0.00 C ATOM 0 H THR A 40 1.963 8.124 1.016 1.00 0.00 H new ATOM 0 HA THR A 40 4.384 7.667 2.642 1.00 0.00 H new ATOM 0 HB THR A 40 1.684 8.094 3.779 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.997 10.428 3.539 1.00 0.00 H new ATOM 0 HG21 THR A 40 2.900 9.484 5.424 1.00 0.00 H new ATOM 0 HG22 THR A 40 3.562 7.837 5.299 1.00 0.00 H new ATOM 0 HG23 THR A 40 4.408 9.197 4.524 1.00 0.00 H new ATOM 562 N LEU A 41 3.871 5.331 3.216 1.00 0.00 N ATOM 563 CA LEU A 41 3.610 3.936 3.554 1.00 0.00 C ATOM 564 C LEU A 41 2.748 3.832 4.807 1.00 0.00 C ATOM 565 O LEU A 41 3.054 4.435 5.836 1.00 0.00 O ATOM 566 CB LEU A 41 4.927 3.186 3.762 1.00 0.00 C ATOM 567 CG LEU A 41 4.778 1.718 4.169 1.00 0.00 C ATOM 568 CD1 LEU A 41 4.341 0.877 2.980 1.00 0.00 C ATOM 569 CD2 LEU A 41 6.083 1.192 4.747 1.00 0.00 C ATOM 0 H LEU A 41 4.852 5.603 3.274 1.00 0.00 H new ATOM 0 HA LEU A 41 3.068 3.482 2.724 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.505 3.235 2.839 1.00 0.00 H new ATOM 0 HB3 LEU A 41 5.505 3.703 4.528 1.00 0.00 H new ATOM 0 HG LEU A 41 4.009 1.649 4.938 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.240 -0.164 3.288 1.00 0.00 H new ATOM 0 HD12 LEU A 41 3.382 1.240 2.610 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.087 0.951 2.189 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.960 0.147 5.031 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.872 1.274 3.999 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.354 1.778 5.626 1.00 0.00 H new ATOM 581 N ARG A 42 1.668 3.062 4.714 1.00 0.00 N ATOM 582 CA ARG A 42 0.761 2.877 5.842 1.00 0.00 C ATOM 583 C ARG A 42 0.699 1.411 6.257 1.00 0.00 C ATOM 584 O ARG A 42 0.687 1.092 7.445 1.00 0.00 O ATOM 585 CB ARG A 42 -0.639 3.378 5.483 1.00 0.00 C ATOM 586 CG ARG A 42 -0.650 4.777 4.890 1.00 0.00 C ATOM 587 CD ARG A 42 -0.159 5.813 5.889 1.00 0.00 C ATOM 588 NE ARG A 42 -1.236 6.685 6.349 1.00 0.00 N ATOM 589 CZ ARG A 42 -1.036 7.856 6.951 1.00 0.00 C ATOM 590 NH1 ARG A 42 0.196 8.296 7.169 1.00 0.00 N ATOM 591 NH2 ARG A 42 -2.073 8.588 7.337 1.00 0.00 N ATOM 0 H ARG A 42 1.400 2.556 3.870 1.00 0.00 H new ATOM 0 HA ARG A 42 1.143 3.456 6.682 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -1.092 2.687 4.772 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -1.261 3.367 6.378 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -0.020 4.801 4.001 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -1.661 5.029 4.571 1.00 0.00 H new ATOM 0 HD2 ARG A 42 0.288 5.307 6.745 1.00 0.00 H new ATOM 0 HD3 ARG A 42 0.624 6.416 5.430 1.00 0.00 H new ATOM 0 HE ARG A 42 -2.198 6.379 6.201 1.00 0.00 H new ATOM 0 HH11 ARG A 42 0.997 7.737 6.875 1.00 0.00 H new ATOM 0 HH12 ARG A 42 0.343 9.194 7.631 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -3.023 8.254 7.173 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -1.921 9.485 7.798 1.00 0.00 H new ATOM 605 N PHE A 43 0.661 0.522 5.269 1.00 0.00 N ATOM 606 CA PHE A 43 0.600 -0.910 5.532 1.00 0.00 C ATOM 607 C PHE A 43 1.626 -1.662 4.689 1.00 0.00 C ATOM 608 O PHE A 43 1.751 -1.423 3.487 1.00 0.00 O ATOM 609 CB PHE A 43 -0.804 -1.444 5.242 1.00 0.00 C ATOM 610 CG PHE A 43 -0.973 -2.899 5.571 1.00 0.00 C ATOM 611 CD1 PHE A 43 -0.525 -3.877 4.697 1.00 0.00 C ATOM 612 CD2 PHE A 43 -1.579 -3.290 6.754 1.00 0.00 C ATOM 613 CE1 PHE A 43 -0.678 -5.217 4.997 1.00 0.00 C ATOM 614 CE2 PHE A 43 -1.736 -4.629 7.060 1.00 0.00 C ATOM 615 CZ PHE A 43 -1.285 -5.594 6.179 1.00 0.00 C ATOM 0 H PHE A 43 0.671 0.769 4.279 1.00 0.00 H new ATOM 0 HA PHE A 43 0.832 -1.071 6.585 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.529 -0.864 5.813 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -1.032 -1.290 4.187 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -0.051 -3.588 3.771 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -1.933 -2.540 7.445 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -0.323 -5.969 4.308 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -2.210 -4.921 7.986 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.407 -6.641 6.415 1.00 0.00 H new ATOM 625 N CYS A 44 2.356 -2.570 5.326 1.00 0.00 N ATOM 626 CA CYS A 44 3.371 -3.357 4.635 1.00 0.00 C ATOM 627 C CYS A 44 3.229 -4.839 4.964 1.00 0.00 C ATOM 628 O CYS A 44 3.272 -5.234 6.129 1.00 0.00 O ATOM 629 CB CYS A 44 4.771 -2.870 5.017 1.00 0.00 C ATOM 630 SG CYS A 44 5.104 -2.898 6.793 1.00 0.00 S ATOM 0 H CYS A 44 2.264 -2.780 6.320 1.00 0.00 H new ATOM 0 HA CYS A 44 3.228 -3.227 3.562 1.00 0.00 H new ATOM 0 HB2 CYS A 44 5.510 -3.490 4.510 1.00 0.00 H new ATOM 0 HB3 CYS A 44 4.903 -1.852 4.650 1.00 0.00 H new ATOM 0 HG CYS A 44 4.463 -3.888 7.339 1.00 0.00 H new ATOM 636 N GLY A 45 3.059 -5.656 3.929 1.00 0.00 N ATOM 637 CA GLY A 45 2.911 -7.085 4.128 1.00 0.00 C ATOM 638 C GLY A 45 2.332 -7.784 2.914 1.00 0.00 C ATOM 639 O GLY A 45 2.663 -7.446 1.778 1.00 0.00 O ATOM 0 H GLY A 45 3.021 -5.353 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.883 -7.518 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 45 2.266 -7.264 4.988 1.00 0.00 H new ATOM 643 N THR A 46 1.464 -8.761 3.155 1.00 0.00 N ATOM 644 CA THR A 46 0.836 -9.511 2.072 1.00 0.00 C ATOM 645 C THR A 46 -0.652 -9.188 1.979 1.00 0.00 C ATOM 646 O THR A 46 -1.275 -8.797 2.966 1.00 0.00 O ATOM 647 CB THR A 46 1.032 -11.012 2.283 1.00 0.00 C ATOM 648 OG1 THR A 46 1.139 -11.315 3.663 1.00 0.00 O ATOM 649 CG2 THR A 46 2.266 -11.558 1.597 1.00 0.00 C ATOM 0 H THR A 46 1.179 -9.052 4.090 1.00 0.00 H new ATOM 0 HA THR A 46 1.312 -9.218 1.136 1.00 0.00 H new ATOM 0 HB THR A 46 0.153 -11.482 1.842 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.262 -12.280 3.777 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.345 -12.628 1.788 1.00 0.00 H new ATOM 0 HG22 THR A 46 2.192 -11.385 0.523 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.151 -11.054 1.985 1.00 0.00 H new ATOM 657 N THR A 47 -1.214 -9.353 0.787 1.00 0.00 N ATOM 658 CA THR A 47 -2.630 -9.080 0.564 1.00 0.00 C ATOM 659 C THR A 47 -3.416 -10.377 0.410 1.00 0.00 C ATOM 660 O THR A 47 -2.854 -11.469 0.490 1.00 0.00 O ATOM 661 CB THR A 47 -2.812 -8.207 -0.678 1.00 0.00 C ATOM 662 OG1 THR A 47 -2.032 -8.696 -1.754 1.00 0.00 O ATOM 663 CG2 THR A 47 -2.430 -6.760 -0.454 1.00 0.00 C ATOM 0 H THR A 47 -0.711 -9.674 -0.040 1.00 0.00 H new ATOM 0 HA THR A 47 -3.014 -8.546 1.433 1.00 0.00 H new ATOM 0 HB THR A 47 -3.876 -8.253 -0.909 1.00 0.00 H new ATOM 0 HG1 THR A 47 -1.331 -8.047 -1.971 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.583 -6.197 -1.374 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.050 -6.338 0.337 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.381 -6.701 -0.163 1.00 0.00 H new ATOM 671 N GLU A 48 -4.720 -10.250 0.187 1.00 0.00 N ATOM 672 CA GLU A 48 -5.585 -11.413 0.020 1.00 0.00 C ATOM 673 C GLU A 48 -6.118 -11.493 -1.407 1.00 0.00 C ATOM 674 O GLU A 48 -6.276 -12.581 -1.960 1.00 0.00 O ATOM 675 CB GLU A 48 -6.749 -11.354 1.011 1.00 0.00 C ATOM 676 CG GLU A 48 -6.350 -11.694 2.438 1.00 0.00 C ATOM 677 CD GLU A 48 -7.375 -12.566 3.137 1.00 0.00 C ATOM 678 OE1 GLU A 48 -7.414 -13.781 2.852 1.00 0.00 O ATOM 679 OE2 GLU A 48 -8.139 -12.033 3.969 1.00 0.00 O ATOM 0 H GLU A 48 -5.201 -9.353 0.118 1.00 0.00 H new ATOM 0 HA GLU A 48 -4.994 -12.307 0.218 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.181 -10.354 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.528 -12.044 0.686 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -5.388 -12.206 2.430 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -6.216 -10.772 3.004 1.00 0.00 H new ATOM 686 N PHE A 49 -6.395 -10.335 -1.996 1.00 0.00 N ATOM 687 CA PHE A 49 -6.913 -10.275 -3.358 1.00 0.00 C ATOM 688 C PHE A 49 -5.830 -10.645 -4.367 1.00 0.00 C ATOM 689 O PHE A 49 -6.087 -11.362 -5.334 1.00 0.00 O ATOM 690 CB PHE A 49 -7.452 -8.876 -3.661 1.00 0.00 C ATOM 691 CG PHE A 49 -6.401 -7.804 -3.619 1.00 0.00 C ATOM 692 CD1 PHE A 49 -6.069 -7.186 -2.423 1.00 0.00 C ATOM 693 CD2 PHE A 49 -5.745 -7.413 -4.775 1.00 0.00 C ATOM 694 CE1 PHE A 49 -5.104 -6.199 -2.382 1.00 0.00 C ATOM 695 CE2 PHE A 49 -4.778 -6.426 -4.740 1.00 0.00 C ATOM 696 CZ PHE A 49 -4.457 -5.819 -3.542 1.00 0.00 C ATOM 0 H PHE A 49 -6.270 -9.425 -1.552 1.00 0.00 H new ATOM 0 HA PHE A 49 -7.727 -10.995 -3.443 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -7.915 -8.880 -4.648 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -8.235 -8.634 -2.942 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -6.571 -7.480 -1.513 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.992 -7.885 -5.714 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.855 -5.725 -1.444 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.274 -6.130 -5.648 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.701 -5.048 -3.512 1.00 0.00 H new ATOM 706 N ALA A 50 -4.618 -10.150 -4.136 1.00 0.00 N ATOM 707 CA ALA A 50 -3.496 -10.428 -5.025 1.00 0.00 C ATOM 708 C ALA A 50 -2.595 -11.515 -4.448 1.00 0.00 C ATOM 709 O ALA A 50 -2.807 -11.982 -3.328 1.00 0.00 O ATOM 710 CB ALA A 50 -2.698 -9.158 -5.279 1.00 0.00 C ATOM 0 H ALA A 50 -4.388 -9.554 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.895 -10.789 -5.973 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.863 -9.380 -5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -3.342 -8.410 -5.742 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.316 -8.773 -4.333 1.00 0.00 H new ATOM 716 N SER A 51 -1.591 -11.915 -5.221 1.00 0.00 N ATOM 717 CA SER A 51 -0.656 -12.947 -4.787 1.00 0.00 C ATOM 718 C SER A 51 0.776 -12.423 -4.796 1.00 0.00 C ATOM 719 O SER A 51 1.422 -12.370 -5.842 1.00 0.00 O ATOM 720 CB SER A 51 -0.767 -14.177 -5.691 1.00 0.00 C ATOM 721 OG SER A 51 -2.076 -14.309 -6.215 1.00 0.00 O ATOM 0 H SER A 51 -1.404 -11.540 -6.151 1.00 0.00 H new ATOM 0 HA SER A 51 -0.914 -13.230 -3.766 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.051 -14.097 -6.509 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.506 -15.072 -5.126 1.00 0.00 H new ATOM 0 HG SER A 51 -2.120 -15.101 -6.790 1.00 0.00 H new ATOM 727 N GLY A 52 1.266 -12.037 -3.623 1.00 0.00 N ATOM 728 CA GLY A 52 2.619 -11.523 -3.518 1.00 0.00 C ATOM 729 C GLY A 52 2.764 -10.494 -2.414 1.00 0.00 C ATOM 730 O GLY A 52 1.876 -10.343 -1.575 1.00 0.00 O ATOM 0 H GLY A 52 0.751 -12.071 -2.743 1.00 0.00 H new ATOM 0 HA2 GLY A 52 3.305 -12.349 -3.333 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.909 -11.075 -4.468 1.00 0.00 H new ATOM 734 N GLN A 53 3.888 -9.783 -2.413 1.00 0.00 N ATOM 735 CA GLN A 53 4.147 -8.763 -1.405 1.00 0.00 C ATOM 736 C GLN A 53 3.603 -7.409 -1.847 1.00 0.00 C ATOM 737 O GLN A 53 4.066 -6.834 -2.831 1.00 0.00 O ATOM 738 CB GLN A 53 5.649 -8.659 -1.130 1.00 0.00 C ATOM 739 CG GLN A 53 6.101 -9.453 0.085 1.00 0.00 C ATOM 740 CD GLN A 53 5.385 -9.035 1.354 1.00 0.00 C ATOM 741 OE1 GLN A 53 4.685 -9.977 1.976 1.00 0.00 O flip ATOM 742 NE2 GLN A 53 5.460 -7.879 1.771 1.00 0.00 N flip ATOM 0 H GLN A 53 4.634 -9.895 -3.100 1.00 0.00 H new ATOM 0 HA GLN A 53 3.636 -9.056 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 53 6.195 -9.008 -2.006 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.912 -7.611 -0.987 1.00 0.00 H new ATOM 0 HG2 GLN A 53 5.926 -10.514 -0.094 1.00 0.00 H new ATOM 0 HG3 GLN A 53 7.175 -9.325 0.219 1.00 0.00 H new ATOM 0 HE21 GLN A 53 6.009 -7.187 1.261 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.973 -7.613 2.627 1.00 0.00 H new ATOM 751 N TRP A 54 2.615 -6.905 -1.112 1.00 0.00 N ATOM 752 CA TRP A 54 2.008 -5.618 -1.428 1.00 0.00 C ATOM 753 C TRP A 54 2.036 -4.693 -0.216 1.00 0.00 C ATOM 754 O TRP A 54 2.344 -5.120 0.896 1.00 0.00 O ATOM 755 CB TRP A 54 0.566 -5.813 -1.901 1.00 0.00 C ATOM 756 CG TRP A 54 0.449 -6.714 -3.092 1.00 0.00 C ATOM 757 CD1 TRP A 54 0.406 -8.079 -3.086 1.00 0.00 C ATOM 758 CD2 TRP A 54 0.361 -6.315 -4.465 1.00 0.00 C ATOM 759 NE1 TRP A 54 0.296 -8.552 -4.371 1.00 0.00 N ATOM 760 CE2 TRP A 54 0.266 -7.489 -5.235 1.00 0.00 C ATOM 761 CE3 TRP A 54 0.352 -5.079 -5.117 1.00 0.00 C ATOM 762 CZ2 TRP A 54 0.163 -7.463 -6.624 1.00 0.00 C ATOM 763 CZ3 TRP A 54 0.250 -5.054 -6.496 1.00 0.00 C ATOM 764 CH2 TRP A 54 0.157 -6.239 -7.236 1.00 0.00 C ATOM 0 H TRP A 54 2.219 -7.369 -0.294 1.00 0.00 H new ATOM 0 HA TRP A 54 2.587 -5.158 -2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.025 -6.225 -1.083 1.00 0.00 H new ATOM 0 HB3 TRP A 54 0.137 -4.841 -2.146 1.00 0.00 H new ATOM 0 HD1 TRP A 54 0.452 -8.696 -2.201 1.00 0.00 H new ATOM 0 HE1 TRP A 54 0.245 -9.535 -4.639 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.423 -4.160 -4.554 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 0.091 -8.376 -7.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.242 -4.105 -7.011 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.079 -6.186 -8.312 1.00 0.00 H new ATOM 775 N ALA A 55 1.711 -3.423 -0.439 1.00 0.00 N ATOM 776 CA ALA A 55 1.700 -2.437 0.636 1.00 0.00 C ATOM 777 C ALA A 55 0.644 -1.367 0.387 1.00 0.00 C ATOM 778 O ALA A 55 0.226 -1.144 -0.750 1.00 0.00 O ATOM 779 CB ALA A 55 3.074 -1.803 0.783 1.00 0.00 C ATOM 0 H ALA A 55 1.452 -3.053 -1.354 1.00 0.00 H new ATOM 0 HA ALA A 55 1.448 -2.949 1.565 1.00 0.00 H new ATOM 0 HB1 ALA A 55 3.052 -1.069 1.589 1.00 0.00 H new ATOM 0 HB2 ALA A 55 3.808 -2.575 1.015 1.00 0.00 H new ATOM 0 HB3 ALA A 55 3.349 -1.310 -0.149 1.00 0.00 H new ATOM 785 N GLY A 56 0.215 -0.706 1.457 1.00 0.00 N ATOM 786 CA GLY A 56 -0.789 0.334 1.334 1.00 0.00 C ATOM 787 C GLY A 56 -0.203 1.726 1.471 1.00 0.00 C ATOM 788 O GLY A 56 0.043 2.197 2.581 1.00 0.00 O ATOM 0 H GLY A 56 0.545 -0.872 2.408 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -1.283 0.245 0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.554 0.188 2.097 1.00 0.00 H new ATOM 792 N ILE A 57 0.021 2.385 0.338 1.00 0.00 N ATOM 793 CA ILE A 57 0.581 3.731 0.336 1.00 0.00 C ATOM 794 C ILE A 57 -0.480 4.767 -0.020 1.00 0.00 C ATOM 795 O ILE A 57 -1.233 4.594 -0.979 1.00 0.00 O ATOM 796 CB ILE A 57 1.751 3.850 -0.659 1.00 0.00 C ATOM 797 CG1 ILE A 57 2.740 2.699 -0.460 1.00 0.00 C ATOM 798 CG2 ILE A 57 2.451 5.191 -0.495 1.00 0.00 C ATOM 799 CD1 ILE A 57 3.706 2.526 -1.611 1.00 0.00 C ATOM 0 H ILE A 57 -0.177 2.009 -0.589 1.00 0.00 H new ATOM 0 HA ILE A 57 0.949 3.922 1.344 1.00 0.00 H new ATOM 0 HB ILE A 57 1.353 3.790 -1.672 1.00 0.00 H new ATOM 0 HG12 ILE A 57 3.306 2.871 0.456 1.00 0.00 H new ATOM 0 HG13 ILE A 57 2.183 1.772 -0.321 1.00 0.00 H new ATOM 0 HG21 ILE A 57 3.275 5.260 -1.205 1.00 0.00 H new ATOM 0 HG22 ILE A 57 1.742 5.997 -0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 57 2.838 5.278 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 57 4.377 1.693 -1.401 1.00 0.00 H new ATOM 0 HD12 ILE A 57 3.149 2.322 -2.526 1.00 0.00 H new ATOM 0 HD13 ILE A 57 4.289 3.438 -1.737 1.00 0.00 H new ATOM 811 N GLU A 58 -0.533 5.842 0.758 1.00 0.00 N ATOM 812 CA GLU A 58 -1.503 6.907 0.523 1.00 0.00 C ATOM 813 C GLU A 58 -0.867 8.063 -0.241 1.00 0.00 C ATOM 814 O GLU A 58 0.092 8.676 0.226 1.00 0.00 O ATOM 815 CB GLU A 58 -2.071 7.409 1.852 1.00 0.00 C ATOM 816 CG GLU A 58 -3.366 8.191 1.703 1.00 0.00 C ATOM 817 CD GLU A 58 -3.219 9.646 2.103 1.00 0.00 C ATOM 818 OE1 GLU A 58 -2.322 10.324 1.561 1.00 0.00 O ATOM 819 OE2 GLU A 58 -4.002 10.108 2.960 1.00 0.00 O ATOM 0 H GLU A 58 0.083 6.000 1.556 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.314 6.500 -0.080 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -2.245 6.556 2.509 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.329 8.041 2.339 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.703 8.135 0.668 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.139 7.726 2.315 1.00 0.00 H new ATOM 826 N LEU A 59 -1.407 8.355 -1.419 1.00 0.00 N ATOM 827 CA LEU A 59 -0.892 9.439 -2.249 1.00 0.00 C ATOM 828 C LEU A 59 -1.391 10.790 -1.751 1.00 0.00 C ATOM 829 O LEU A 59 -2.524 10.912 -1.285 1.00 0.00 O ATOM 830 CB LEU A 59 -1.308 9.234 -3.707 1.00 0.00 C ATOM 831 CG LEU A 59 -0.909 7.886 -4.311 1.00 0.00 C ATOM 832 CD1 LEU A 59 -1.773 7.567 -5.521 1.00 0.00 C ATOM 833 CD2 LEU A 59 0.564 7.889 -4.692 1.00 0.00 C ATOM 0 H LEU A 59 -2.201 7.857 -1.821 1.00 0.00 H new ATOM 0 HA LEU A 59 0.196 9.428 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.390 9.341 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -0.869 10.029 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 59 -1.069 7.111 -3.561 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -1.475 6.605 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.820 7.523 -5.219 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -1.645 8.344 -6.275 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.831 6.923 -5.120 1.00 0.00 H new ATOM 0 HD22 LEU A 59 0.749 8.674 -5.425 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.169 8.072 -3.804 1.00 0.00 H new ATOM 845 N ASP A 60 -0.538 11.805 -1.852 1.00 0.00 N ATOM 846 CA ASP A 60 -0.893 13.148 -1.412 1.00 0.00 C ATOM 847 C ASP A 60 -1.931 13.769 -2.341 1.00 0.00 C ATOM 848 O ASP A 60 -2.766 14.565 -1.911 1.00 0.00 O ATOM 849 CB ASP A 60 0.353 14.035 -1.354 1.00 0.00 C ATOM 850 CG ASP A 60 1.063 13.948 -0.018 1.00 0.00 C ATOM 851 OD1 ASP A 60 0.372 13.860 1.018 1.00 0.00 O ATOM 852 OD2 ASP A 60 2.313 13.969 -0.008 1.00 0.00 O ATOM 0 H ASP A 60 0.404 11.722 -2.235 1.00 0.00 H new ATOM 0 HA ASP A 60 -1.324 13.074 -0.414 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.041 13.743 -2.147 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.068 15.070 -1.544 1.00 0.00 H new ATOM 857 N GLU A 61 -1.871 13.400 -3.616 1.00 0.00 N ATOM 858 CA GLU A 61 -2.806 13.922 -4.607 1.00 0.00 C ATOM 859 C GLU A 61 -3.834 12.861 -4.996 1.00 0.00 C ATOM 860 O GLU A 61 -3.563 11.664 -4.917 1.00 0.00 O ATOM 861 CB GLU A 61 -2.051 14.396 -5.851 1.00 0.00 C ATOM 862 CG GLU A 61 -1.138 15.585 -5.591 1.00 0.00 C ATOM 863 CD GLU A 61 -1.558 16.822 -6.361 1.00 0.00 C ATOM 864 OE1 GLU A 61 -2.384 17.597 -5.835 1.00 0.00 O ATOM 865 OE2 GLU A 61 -1.060 17.016 -7.490 1.00 0.00 O ATOM 0 H GLU A 61 -1.186 12.742 -3.988 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.332 14.768 -4.165 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -1.456 13.570 -6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.772 14.664 -6.624 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.135 15.809 -4.524 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.117 15.321 -5.864 1.00 0.00 H new ATOM 872 N PRO A 62 -5.033 13.292 -5.423 1.00 0.00 N ATOM 873 CA PRO A 62 -6.104 12.374 -5.826 1.00 0.00 C ATOM 874 C PRO A 62 -5.787 11.654 -7.132 1.00 0.00 C ATOM 875 O PRO A 62 -6.195 12.091 -8.208 1.00 0.00 O ATOM 876 CB PRO A 62 -7.314 13.295 -6.003 1.00 0.00 C ATOM 877 CG PRO A 62 -6.732 14.630 -6.313 1.00 0.00 C ATOM 878 CD PRO A 62 -5.439 14.705 -5.549 1.00 0.00 C ATOM 0 HA PRO A 62 -6.259 11.581 -5.094 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.961 12.948 -6.809 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -7.922 13.328 -5.099 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.560 14.742 -7.384 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.409 15.430 -6.014 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -4.691 15.292 -6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -5.575 15.172 -4.574 1.00 0.00 H new ATOM 886 N GLU A 63 -5.058 10.548 -7.029 1.00 0.00 N ATOM 887 CA GLU A 63 -4.686 9.766 -8.203 1.00 0.00 C ATOM 888 C GLU A 63 -4.676 8.275 -7.881 1.00 0.00 C ATOM 889 O GLU A 63 -3.900 7.511 -8.455 1.00 0.00 O ATOM 890 CB GLU A 63 -3.311 10.199 -8.715 1.00 0.00 C ATOM 891 CG GLU A 63 -3.347 11.463 -9.558 1.00 0.00 C ATOM 892 CD GLU A 63 -3.217 11.177 -11.042 1.00 0.00 C ATOM 893 OE1 GLU A 63 -2.557 10.178 -11.398 1.00 0.00 O ATOM 894 OE2 GLU A 63 -3.775 11.952 -11.847 1.00 0.00 O ATOM 0 H GLU A 63 -4.713 10.173 -6.145 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.428 9.947 -8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.649 10.359 -7.864 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.881 9.390 -9.306 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.282 11.992 -9.374 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.540 12.126 -9.247 1.00 0.00 H new ATOM 901 N GLY A 64 -5.544 7.867 -6.961 1.00 0.00 N ATOM 902 CA GLY A 64 -5.619 6.470 -6.579 1.00 0.00 C ATOM 903 C GLY A 64 -6.826 5.771 -7.174 1.00 0.00 C ATOM 904 O GLY A 64 -7.409 6.244 -8.149 1.00 0.00 O ATOM 0 H GLY A 64 -6.197 8.480 -6.473 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.712 5.959 -6.901 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -5.658 6.395 -5.492 1.00 0.00 H new ATOM 908 N LYS A 65 -7.200 4.640 -6.585 1.00 0.00 N ATOM 909 CA LYS A 65 -8.345 3.872 -7.063 1.00 0.00 C ATOM 910 C LYS A 65 -9.216 3.407 -5.898 1.00 0.00 C ATOM 911 O LYS A 65 -10.440 3.515 -5.944 1.00 0.00 O ATOM 912 CB LYS A 65 -7.871 2.667 -7.881 1.00 0.00 C ATOM 913 CG LYS A 65 -8.258 2.740 -9.349 1.00 0.00 C ATOM 914 CD LYS A 65 -7.080 3.153 -10.217 1.00 0.00 C ATOM 915 CE LYS A 65 -7.060 2.388 -11.530 1.00 0.00 C ATOM 916 NZ LYS A 65 -5.689 2.306 -12.105 1.00 0.00 N ATOM 0 H LYS A 65 -6.728 4.235 -5.777 1.00 0.00 H new ATOM 0 HA LYS A 65 -8.946 4.520 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.787 2.589 -7.803 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -8.288 1.758 -7.448 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.630 1.769 -9.677 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -9.073 3.453 -9.476 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.133 4.223 -10.419 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.150 2.976 -9.677 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -7.447 1.382 -11.370 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.724 2.875 -12.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -5.719 1.777 -13.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -5.329 3.265 -12.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -5.060 1.819 -11.435 1.00 0.00 H new ATOM 930 N ASN A 66 -8.574 2.887 -4.856 1.00 0.00 N ATOM 931 CA ASN A 66 -9.291 2.405 -3.682 1.00 0.00 C ATOM 932 C ASN A 66 -9.303 3.459 -2.579 1.00 0.00 C ATOM 933 O ASN A 66 -8.824 4.576 -2.771 1.00 0.00 O ATOM 934 CB ASN A 66 -8.653 1.115 -3.162 1.00 0.00 C ATOM 935 CG ASN A 66 -8.442 0.091 -4.262 1.00 0.00 C ATOM 936 OD1 ASN A 66 -9.242 -0.830 -4.430 1.00 0.00 O ATOM 937 ND2 ASN A 66 -7.361 0.248 -5.016 1.00 0.00 N ATOM 0 H ASN A 66 -7.560 2.789 -4.801 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.321 2.201 -3.976 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -7.695 1.348 -2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -9.287 0.686 -2.386 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -7.166 -0.410 -5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -6.725 1.026 -4.841 1.00 0.00 H new ATOM 944 N ASN A 67 -9.854 3.094 -1.427 1.00 0.00 N ATOM 945 CA ASN A 67 -9.929 4.008 -0.293 1.00 0.00 C ATOM 946 C ASN A 67 -9.300 3.387 0.950 1.00 0.00 C ATOM 947 O ASN A 67 -9.714 3.667 2.075 1.00 0.00 O ATOM 948 CB ASN A 67 -11.384 4.384 -0.008 1.00 0.00 C ATOM 949 CG ASN A 67 -12.279 3.167 0.126 1.00 0.00 C ATOM 950 OD1 ASN A 67 -11.847 2.112 0.589 1.00 0.00 O ATOM 951 ND2 ASN A 67 -13.535 3.310 -0.281 1.00 0.00 N ATOM 0 H ASN A 67 -10.255 2.172 -1.254 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.372 4.909 -0.549 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.432 4.970 0.910 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -11.757 5.019 -0.812 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -14.185 2.526 -0.216 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -13.850 4.204 -0.659 1.00 0.00 H new ATOM 958 N GLY A 68 -8.296 2.541 0.739 1.00 0.00 N ATOM 959 CA GLY A 68 -7.625 1.893 1.851 1.00 0.00 C ATOM 960 C GLY A 68 -8.087 0.464 2.054 1.00 0.00 C ATOM 961 O GLY A 68 -7.319 -0.384 2.510 1.00 0.00 O ATOM 0 H GLY A 68 -7.935 2.293 -0.182 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.549 1.902 1.677 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -7.806 2.463 2.762 1.00 0.00 H new ATOM 965 N SER A 69 -9.344 0.196 1.717 1.00 0.00 N ATOM 966 CA SER A 69 -9.908 -1.141 1.865 1.00 0.00 C ATOM 967 C SER A 69 -10.244 -1.745 0.506 1.00 0.00 C ATOM 968 O SER A 69 -10.671 -1.039 -0.409 1.00 0.00 O ATOM 969 CB SER A 69 -11.162 -1.094 2.740 1.00 0.00 C ATOM 970 OG SER A 69 -11.972 0.022 2.411 1.00 0.00 O ATOM 0 H SER A 69 -9.992 0.887 1.339 1.00 0.00 H new ATOM 0 HA SER A 69 -9.161 -1.772 2.346 1.00 0.00 H new ATOM 0 HB2 SER A 69 -11.734 -2.013 2.611 1.00 0.00 H new ATOM 0 HB3 SER A 69 -10.875 -1.042 3.790 1.00 0.00 H new ATOM 0 HG SER A 69 -11.821 0.272 1.476 1.00 0.00 H new ATOM 976 N VAL A 70 -10.049 -3.053 0.380 1.00 0.00 N ATOM 977 CA VAL A 70 -10.332 -3.752 -0.868 1.00 0.00 C ATOM 978 C VAL A 70 -11.237 -4.956 -0.627 1.00 0.00 C ATOM 979 O VAL A 70 -10.777 -6.015 -0.200 1.00 0.00 O ATOM 980 CB VAL A 70 -9.037 -4.226 -1.555 1.00 0.00 C ATOM 981 CG1 VAL A 70 -9.341 -4.815 -2.924 1.00 0.00 C ATOM 982 CG2 VAL A 70 -8.040 -3.082 -1.668 1.00 0.00 C ATOM 0 H VAL A 70 -9.696 -3.651 1.127 1.00 0.00 H new ATOM 0 HA VAL A 70 -10.839 -3.042 -1.521 1.00 0.00 H new ATOM 0 HB VAL A 70 -8.589 -5.007 -0.941 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -8.413 -5.144 -3.393 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.013 -5.666 -2.813 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -9.815 -4.058 -3.549 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.132 -3.437 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -8.477 -2.276 -2.257 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -7.796 -2.713 -0.672 1.00 0.00 H new ATOM 992 N GLY A 71 -12.526 -4.786 -0.903 1.00 0.00 N ATOM 993 CA GLY A 71 -13.474 -5.868 -0.710 1.00 0.00 C ATOM 994 C GLY A 71 -13.780 -6.116 0.753 1.00 0.00 C ATOM 995 O GLY A 71 -14.180 -5.204 1.475 1.00 0.00 O ATOM 0 H GLY A 71 -12.931 -3.919 -1.257 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -14.399 -5.635 -1.237 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -13.075 -6.780 -1.154 1.00 0.00 H new ATOM 999 N ARG A 72 -13.589 -7.356 1.193 1.00 0.00 N ATOM 1000 CA ARG A 72 -13.847 -7.723 2.580 1.00 0.00 C ATOM 1001 C ARG A 72 -12.553 -7.741 3.389 1.00 0.00 C ATOM 1002 O ARG A 72 -12.420 -8.502 4.348 1.00 0.00 O ATOM 1003 CB ARG A 72 -14.527 -9.092 2.651 1.00 0.00 C ATOM 1004 CG ARG A 72 -16.045 -9.018 2.671 1.00 0.00 C ATOM 1005 CD ARG A 72 -16.671 -10.396 2.540 1.00 0.00 C ATOM 1006 NE ARG A 72 -16.799 -10.809 1.145 1.00 0.00 N ATOM 1007 CZ ARG A 72 -17.753 -10.371 0.326 1.00 0.00 C ATOM 1008 NH1 ARG A 72 -18.664 -9.509 0.759 1.00 0.00 N ATOM 1009 NH2 ARG A 72 -17.795 -10.796 -0.929 1.00 0.00 N ATOM 0 H ARG A 72 -13.256 -8.123 0.609 1.00 0.00 H new ATOM 0 HA ARG A 72 -14.512 -6.973 3.009 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -14.212 -9.689 1.795 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -14.185 -9.612 3.546 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -16.376 -8.554 3.600 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.390 -8.381 1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -16.063 -11.123 3.079 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -17.655 -10.393 3.009 1.00 0.00 H new ATOM 0 HE ARG A 72 -16.117 -11.472 0.776 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -18.636 -9.179 1.724 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.393 -9.177 0.127 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.097 -11.458 -1.267 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.526 -10.461 -1.557 1.00 0.00 H new ATOM 1023 N VAL A 73 -11.603 -6.900 2.994 1.00 0.00 N ATOM 1024 CA VAL A 73 -10.319 -6.821 3.682 1.00 0.00 C ATOM 1025 C VAL A 73 -9.960 -5.375 4.007 1.00 0.00 C ATOM 1026 O VAL A 73 -10.336 -4.454 3.282 1.00 0.00 O ATOM 1027 CB VAL A 73 -9.190 -7.442 2.839 1.00 0.00 C ATOM 1028 CG1 VAL A 73 -7.906 -7.532 3.649 1.00 0.00 C ATOM 1029 CG2 VAL A 73 -9.602 -8.813 2.323 1.00 0.00 C ATOM 0 H VAL A 73 -11.697 -6.264 2.202 1.00 0.00 H new ATOM 0 HA VAL A 73 -10.421 -7.385 4.609 1.00 0.00 H new ATOM 0 HB VAL A 73 -9.005 -6.797 1.980 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -7.120 -7.973 3.037 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -7.603 -6.533 3.964 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -8.073 -8.154 4.528 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -8.792 -9.237 1.729 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -9.816 -9.470 3.166 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -10.493 -8.716 1.703 1.00 0.00 H new ATOM 1039 N GLN A 74 -9.228 -5.184 5.100 1.00 0.00 N ATOM 1040 CA GLN A 74 -8.817 -3.850 5.521 1.00 0.00 C ATOM 1041 C GLN A 74 -7.298 -3.752 5.613 1.00 0.00 C ATOM 1042 O GLN A 74 -6.618 -4.736 5.907 1.00 0.00 O ATOM 1043 CB GLN A 74 -9.444 -3.502 6.873 1.00 0.00 C ATOM 1044 CG GLN A 74 -9.239 -2.052 7.282 1.00 0.00 C ATOM 1045 CD GLN A 74 -10.189 -1.107 6.574 1.00 0.00 C ATOM 1046 OE1 GLN A 74 -11.364 -1.418 6.380 1.00 0.00 O ATOM 1047 NE2 GLN A 74 -9.683 0.057 6.182 1.00 0.00 N ATOM 0 H GLN A 74 -8.908 -5.936 5.710 1.00 0.00 H new ATOM 0 HA GLN A 74 -9.165 -3.138 4.773 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -10.513 -3.712 6.834 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -9.019 -4.151 7.639 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -9.376 -1.959 8.359 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -8.212 -1.759 7.065 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -8.703 0.274 6.363 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.274 0.734 5.700 1.00 0.00 H new ATOM 1056 N TYR A 75 -6.771 -2.558 5.359 1.00 0.00 N ATOM 1057 CA TYR A 75 -5.331 -2.331 5.412 1.00 0.00 C ATOM 1058 C TYR A 75 -5.014 -1.010 6.107 1.00 0.00 C ATOM 1059 O TYR A 75 -4.349 -0.986 7.143 1.00 0.00 O ATOM 1060 CB TYR A 75 -4.741 -2.332 4.001 1.00 0.00 C ATOM 1061 CG TYR A 75 -5.198 -3.497 3.153 1.00 0.00 C ATOM 1062 CD1 TYR A 75 -6.480 -3.532 2.621 1.00 0.00 C ATOM 1063 CD2 TYR A 75 -4.347 -4.562 2.886 1.00 0.00 C ATOM 1064 CE1 TYR A 75 -6.902 -4.595 1.844 1.00 0.00 C ATOM 1065 CE2 TYR A 75 -4.761 -5.629 2.110 1.00 0.00 C ATOM 1066 CZ TYR A 75 -6.039 -5.640 1.592 1.00 0.00 C ATOM 1067 OH TYR A 75 -6.455 -6.701 0.821 1.00 0.00 O ATOM 0 H TYR A 75 -7.319 -1.733 5.115 1.00 0.00 H new ATOM 0 HA TYR A 75 -4.882 -3.141 5.987 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -5.013 -1.402 3.502 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -3.653 -2.350 4.071 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -7.159 -2.715 2.817 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -3.346 -4.557 3.291 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -7.902 -4.607 1.437 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -4.087 -6.449 1.911 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.101 -6.604 -0.088 1.00 0.00 H new ATOM 1077 N PHE A 76 -5.496 0.086 5.531 1.00 0.00 N ATOM 1078 CA PHE A 76 -5.266 1.411 6.094 1.00 0.00 C ATOM 1079 C PHE A 76 -6.441 2.338 5.802 1.00 0.00 C ATOM 1080 O PHE A 76 -7.224 2.094 4.884 1.00 0.00 O ATOM 1081 CB PHE A 76 -3.976 2.009 5.531 1.00 0.00 C ATOM 1082 CG PHE A 76 -3.994 2.177 4.038 1.00 0.00 C ATOM 1083 CD1 PHE A 76 -3.769 1.095 3.203 1.00 0.00 C ATOM 1084 CD2 PHE A 76 -4.238 3.418 3.472 1.00 0.00 C ATOM 1085 CE1 PHE A 76 -3.785 1.247 1.830 1.00 0.00 C ATOM 1086 CE2 PHE A 76 -4.256 3.576 2.098 1.00 0.00 C ATOM 1087 CZ PHE A 76 -4.029 2.489 1.276 1.00 0.00 C ATOM 0 H PHE A 76 -6.049 0.083 4.674 1.00 0.00 H new ATOM 0 HA PHE A 76 -5.169 1.308 7.175 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -3.802 2.980 5.996 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -3.138 1.369 5.806 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -3.579 0.121 3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.416 4.271 4.110 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -3.607 0.395 1.190 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.447 4.548 1.668 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.042 2.610 0.203 1.00 0.00 H new ATOM 1097 N LYS A 77 -6.558 3.402 6.590 1.00 0.00 N ATOM 1098 CA LYS A 77 -7.638 4.367 6.416 1.00 0.00 C ATOM 1099 C LYS A 77 -7.157 5.591 5.644 1.00 0.00 C ATOM 1100 O LYS A 77 -6.159 6.214 6.007 1.00 0.00 O ATOM 1101 CB LYS A 77 -8.193 4.794 7.776 1.00 0.00 C ATOM 1102 CG LYS A 77 -9.101 3.756 8.415 1.00 0.00 C ATOM 1103 CD LYS A 77 -8.397 2.418 8.569 1.00 0.00 C ATOM 1104 CE LYS A 77 -9.229 1.442 9.386 1.00 0.00 C ATOM 1105 NZ LYS A 77 -9.663 2.032 10.683 1.00 0.00 N ATOM 0 H LYS A 77 -5.919 3.618 7.355 1.00 0.00 H new ATOM 0 HA LYS A 77 -8.430 3.887 5.842 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -7.362 5.001 8.450 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -8.747 5.725 7.657 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -9.429 4.110 9.392 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -9.996 3.629 7.805 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -8.199 1.994 7.584 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -7.431 2.567 9.052 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -10.106 1.143 8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -8.648 0.539 9.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -9.921 1.270 11.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -8.885 2.591 11.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -10.487 2.647 10.526 1.00 0.00 H new ATOM 1119 N CYS A 78 -7.874 5.931 4.577 1.00 0.00 N ATOM 1120 CA CYS A 78 -7.520 7.082 3.754 1.00 0.00 C ATOM 1121 C CYS A 78 -8.745 7.629 3.028 1.00 0.00 C ATOM 1122 O CYS A 78 -9.868 7.181 3.260 1.00 0.00 O ATOM 1123 CB CYS A 78 -6.439 6.699 2.741 1.00 0.00 C ATOM 1124 SG CYS A 78 -6.967 5.465 1.529 1.00 0.00 S ATOM 0 H CYS A 78 -8.703 5.426 4.263 1.00 0.00 H new ATOM 0 HA CYS A 78 -7.132 7.861 4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -6.117 7.596 2.213 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -5.571 6.317 3.279 1.00 0.00 H new ATOM 0 HG CYS A 78 -6.111 4.487 1.504 1.00 0.00 H new ATOM 1130 N ALA A 79 -8.522 8.602 2.150 1.00 0.00 N ATOM 1131 CA ALA A 79 -9.608 9.210 1.392 1.00 0.00 C ATOM 1132 C ALA A 79 -9.912 8.411 0.127 1.00 0.00 C ATOM 1133 O ALA A 79 -9.112 7.580 -0.302 1.00 0.00 O ATOM 1134 CB ALA A 79 -9.263 10.649 1.038 1.00 0.00 C ATOM 0 H ALA A 79 -7.599 8.986 1.947 1.00 0.00 H new ATOM 0 HA ALA A 79 -10.501 9.204 2.017 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.083 11.091 0.472 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -9.104 11.221 1.952 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.355 10.668 0.436 1.00 0.00 H new ATOM 1140 N PRO A 80 -11.083 8.651 -0.489 1.00 0.00 N ATOM 1141 CA PRO A 80 -11.495 7.950 -1.710 1.00 0.00 C ATOM 1142 C PRO A 80 -10.576 8.253 -2.890 1.00 0.00 C ATOM 1143 O PRO A 80 -10.184 9.400 -3.105 1.00 0.00 O ATOM 1144 CB PRO A 80 -12.908 8.486 -1.986 1.00 0.00 C ATOM 1145 CG PRO A 80 -13.347 9.116 -0.706 1.00 0.00 C ATOM 1146 CD PRO A 80 -12.097 9.619 -0.045 1.00 0.00 C ATOM 0 HA PRO A 80 -11.456 6.868 -1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.902 9.211 -2.800 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -13.583 7.682 -2.281 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -14.046 9.932 -0.892 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -13.861 8.394 -0.071 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -11.853 10.634 -0.360 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -12.192 9.636 1.041 1.00 0.00 H new ATOM 1154 N LYS A 81 -10.240 7.218 -3.652 1.00 0.00 N ATOM 1155 CA LYS A 81 -9.371 7.371 -4.814 1.00 0.00 C ATOM 1156 C LYS A 81 -8.023 7.971 -4.421 1.00 0.00 C ATOM 1157 O LYS A 81 -7.348 8.592 -5.242 1.00 0.00 O ATOM 1158 CB LYS A 81 -10.044 8.252 -5.868 1.00 0.00 C ATOM 1159 CG LYS A 81 -11.506 7.912 -6.102 1.00 0.00 C ATOM 1160 CD LYS A 81 -12.238 9.048 -6.799 1.00 0.00 C ATOM 1161 CE LYS A 81 -12.011 9.017 -8.302 1.00 0.00 C ATOM 1162 NZ LYS A 81 -12.593 7.797 -8.926 1.00 0.00 N ATOM 0 H LYS A 81 -10.556 6.263 -3.486 1.00 0.00 H new ATOM 0 HA LYS A 81 -9.196 6.380 -5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -9.967 9.295 -5.561 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.502 8.156 -6.809 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -11.578 7.007 -6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -11.988 7.698 -5.148 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -13.305 8.977 -6.590 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -11.897 10.002 -6.398 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -12.455 9.904 -8.755 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.941 9.056 -8.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -12.788 7.981 -9.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -11.919 7.009 -8.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.479 7.548 -8.441 1.00 0.00 H new ATOM 1176 N TYR A 82 -7.635 7.782 -3.164 1.00 0.00 N ATOM 1177 CA TYR A 82 -6.366 8.307 -2.670 1.00 0.00 C ATOM 1178 C TYR A 82 -5.425 7.179 -2.250 1.00 0.00 C ATOM 1179 O TYR A 82 -4.207 7.356 -2.219 1.00 0.00 O ATOM 1180 CB TYR A 82 -6.605 9.253 -1.491 1.00 0.00 C ATOM 1181 CG TYR A 82 -6.789 10.696 -1.901 1.00 0.00 C ATOM 1182 CD1 TYR A 82 -5.696 11.494 -2.218 1.00 0.00 C ATOM 1183 CD2 TYR A 82 -8.057 11.262 -1.973 1.00 0.00 C ATOM 1184 CE1 TYR A 82 -5.861 12.813 -2.593 1.00 0.00 C ATOM 1185 CE2 TYR A 82 -8.229 12.581 -2.349 1.00 0.00 C ATOM 1186 CZ TYR A 82 -7.128 13.352 -2.657 1.00 0.00 C ATOM 1187 OH TYR A 82 -7.296 14.666 -3.030 1.00 0.00 O ATOM 0 H TYR A 82 -8.179 7.270 -2.470 1.00 0.00 H new ATOM 0 HA TYR A 82 -5.895 8.859 -3.483 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -7.489 8.924 -0.945 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -5.762 9.184 -0.804 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -4.701 11.076 -2.170 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -8.921 10.661 -1.731 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -5.001 13.420 -2.835 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -9.221 13.006 -2.401 1.00 0.00 H new ATOM 0 HH TYR A 82 -8.251 14.888 -3.025 1.00 0.00 H new ATOM 1197 N GLY A 83 -5.994 6.021 -1.924 1.00 0.00 N ATOM 1198 CA GLY A 83 -5.184 4.890 -1.511 1.00 0.00 C ATOM 1199 C GLY A 83 -4.942 3.906 -2.638 1.00 0.00 C ATOM 1200 O GLY A 83 -5.876 3.500 -3.329 1.00 0.00 O ATOM 0 H GLY A 83 -6.999 5.847 -1.939 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.226 5.251 -1.136 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -5.676 4.377 -0.685 1.00 0.00 H new ATOM 1204 N ILE A 84 -3.684 3.520 -2.822 1.00 0.00 N ATOM 1205 CA ILE A 84 -3.319 2.576 -3.871 1.00 0.00 C ATOM 1206 C ILE A 84 -2.415 1.474 -3.326 1.00 0.00 C ATOM 1207 O ILE A 84 -1.662 1.689 -2.377 1.00 0.00 O ATOM 1208 CB ILE A 84 -2.609 3.284 -5.043 1.00 0.00 C ATOM 1209 CG1 ILE A 84 -2.332 2.296 -6.178 1.00 0.00 C ATOM 1210 CG2 ILE A 84 -1.317 3.932 -4.569 1.00 0.00 C ATOM 1211 CD1 ILE A 84 -2.342 2.933 -7.550 1.00 0.00 C ATOM 0 H ILE A 84 -2.900 3.847 -2.258 1.00 0.00 H new ATOM 0 HA ILE A 84 -4.245 2.132 -4.237 1.00 0.00 H new ATOM 0 HB ILE A 84 -3.266 4.066 -5.423 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -1.363 1.826 -6.011 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -3.079 1.503 -6.149 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.829 4.427 -5.409 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -1.541 4.666 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -0.654 3.168 -4.163 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -2.138 2.174 -8.305 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -3.319 3.378 -7.737 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.576 3.707 -7.598 1.00 0.00 H new ATOM 1223 N PHE A 85 -2.496 0.294 -3.933 1.00 0.00 N ATOM 1224 CA PHE A 85 -1.686 -0.841 -3.507 1.00 0.00 C ATOM 1225 C PHE A 85 -0.689 -1.239 -4.591 1.00 0.00 C ATOM 1226 O PHE A 85 -1.071 -1.526 -5.725 1.00 0.00 O ATOM 1227 CB PHE A 85 -2.582 -2.033 -3.161 1.00 0.00 C ATOM 1228 CG PHE A 85 -3.472 -1.791 -1.975 1.00 0.00 C ATOM 1229 CD1 PHE A 85 -4.660 -1.091 -2.115 1.00 0.00 C ATOM 1230 CD2 PHE A 85 -3.119 -2.262 -0.721 1.00 0.00 C ATOM 1231 CE1 PHE A 85 -5.481 -0.868 -1.026 1.00 0.00 C ATOM 1232 CE2 PHE A 85 -3.936 -2.041 0.372 1.00 0.00 C ATOM 1233 CZ PHE A 85 -5.118 -1.343 0.219 1.00 0.00 C ATOM 0 H PHE A 85 -3.114 0.099 -4.721 1.00 0.00 H new ATOM 0 HA PHE A 85 -1.129 -0.542 -2.619 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -3.200 -2.275 -4.025 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -1.955 -2.903 -2.963 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -4.947 -0.716 -3.086 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -2.195 -2.808 -0.596 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -6.405 -0.323 -1.148 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.650 -2.414 1.345 1.00 0.00 H new ATOM 0 HZ PHE A 85 -5.757 -1.169 1.072 1.00 0.00 H new ATOM 1243 N ALA A 86 0.591 -1.254 -4.232 1.00 0.00 N ATOM 1244 CA ALA A 86 1.644 -1.618 -5.173 1.00 0.00 C ATOM 1245 C ALA A 86 2.590 -2.650 -4.563 1.00 0.00 C ATOM 1246 O ALA A 86 2.734 -2.726 -3.343 1.00 0.00 O ATOM 1247 CB ALA A 86 2.418 -0.381 -5.604 1.00 0.00 C ATOM 0 H ALA A 86 0.924 -1.018 -3.297 1.00 0.00 H new ATOM 0 HA ALA A 86 1.176 -2.064 -6.051 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.201 -0.668 -6.306 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.739 0.324 -6.085 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.869 0.089 -4.730 1.00 0.00 H new ATOM 1253 N PRO A 87 3.247 -3.463 -5.408 1.00 0.00 N ATOM 1254 CA PRO A 87 4.181 -4.496 -4.943 1.00 0.00 C ATOM 1255 C PRO A 87 5.303 -3.918 -4.087 1.00 0.00 C ATOM 1256 O PRO A 87 6.093 -3.099 -4.553 1.00 0.00 O ATOM 1257 CB PRO A 87 4.745 -5.087 -6.239 1.00 0.00 C ATOM 1258 CG PRO A 87 3.737 -4.757 -7.285 1.00 0.00 C ATOM 1259 CD PRO A 87 3.133 -3.444 -6.876 1.00 0.00 C ATOM 0 HA PRO A 87 3.687 -5.232 -4.308 1.00 0.00 H new ATOM 0 HB2 PRO A 87 5.717 -4.657 -6.478 1.00 0.00 H new ATOM 0 HB3 PRO A 87 4.886 -6.164 -6.153 1.00 0.00 H new ATOM 0 HG2 PRO A 87 4.204 -4.683 -8.267 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.975 -5.533 -7.352 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.670 -2.601 -7.311 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.095 -3.361 -7.198 1.00 0.00 H new ATOM 1267 N LEU A 88 5.363 -4.351 -2.828 1.00 0.00 N ATOM 1268 CA LEU A 88 6.389 -3.879 -1.904 1.00 0.00 C ATOM 1269 C LEU A 88 7.759 -3.965 -2.559 1.00 0.00 C ATOM 1270 O LEU A 88 8.548 -3.021 -2.512 1.00 0.00 O ATOM 1271 CB LEU A 88 6.369 -4.703 -0.615 1.00 0.00 C ATOM 1272 CG LEU A 88 7.179 -4.116 0.541 1.00 0.00 C ATOM 1273 CD1 LEU A 88 6.732 -2.693 0.839 1.00 0.00 C ATOM 1274 CD2 LEU A 88 7.046 -4.988 1.781 1.00 0.00 C ATOM 0 H LEU A 88 4.713 -5.027 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 88 6.180 -2.839 -1.653 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.334 -4.819 -0.292 1.00 0.00 H new ATOM 0 HB3 LEU A 88 6.748 -5.701 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 88 8.229 -4.091 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.320 -2.292 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 88 6.878 -2.073 -0.045 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.677 -2.693 1.112 1.00 0.00 H new ATOM 0 HD21 LEU A 88 7.629 -4.555 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.998 -5.044 2.076 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.416 -5.990 1.563 1.00 0.00 H new ATOM 1286 N SER A 89 8.019 -5.104 -3.192 1.00 0.00 N ATOM 1287 CA SER A 89 9.278 -5.318 -3.886 1.00 0.00 C ATOM 1288 C SER A 89 9.493 -4.217 -4.917 1.00 0.00 C ATOM 1289 O SER A 89 10.625 -3.908 -5.287 1.00 0.00 O ATOM 1290 CB SER A 89 9.289 -6.688 -4.567 1.00 0.00 C ATOM 1291 OG SER A 89 10.564 -7.298 -4.467 1.00 0.00 O ATOM 0 H SER A 89 7.373 -5.892 -3.237 1.00 0.00 H new ATOM 0 HA SER A 89 10.089 -5.289 -3.158 1.00 0.00 H new ATOM 0 HB2 SER A 89 8.538 -7.331 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 89 9.017 -6.578 -5.617 1.00 0.00 H new ATOM 0 HG SER A 89 10.544 -8.173 -4.908 1.00 0.00 H new ATOM 1297 N LYS A 90 8.390 -3.616 -5.365 1.00 0.00 N ATOM 1298 CA LYS A 90 8.457 -2.535 -6.339 1.00 0.00 C ATOM 1299 C LYS A 90 8.469 -1.179 -5.636 1.00 0.00 C ATOM 1300 O LYS A 90 8.765 -0.156 -6.251 1.00 0.00 O ATOM 1301 CB LYS A 90 7.273 -2.610 -7.304 1.00 0.00 C ATOM 1302 CG LYS A 90 7.424 -3.683 -8.372 1.00 0.00 C ATOM 1303 CD LYS A 90 7.368 -3.092 -9.772 1.00 0.00 C ATOM 1304 CE LYS A 90 7.287 -4.177 -10.834 1.00 0.00 C ATOM 1305 NZ LYS A 90 6.281 -3.853 -11.883 1.00 0.00 N ATOM 0 H LYS A 90 7.445 -3.861 -5.068 1.00 0.00 H new ATOM 0 HA LYS A 90 9.382 -2.645 -6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.363 -2.801 -6.735 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.148 -1.642 -7.789 1.00 0.00 H new ATOM 0 HG2 LYS A 90 8.372 -4.204 -8.234 1.00 0.00 H new ATOM 0 HG3 LYS A 90 6.633 -4.425 -8.258 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.503 -2.435 -9.856 1.00 0.00 H new ATOM 0 HD3 LYS A 90 8.252 -2.478 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 90 8.265 -4.306 -11.297 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.029 -5.126 -10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 6.256 -4.617 -12.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 5.343 -3.755 -11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 6.541 -2.960 -12.349 1.00 0.00 H new ATOM 1319 N ILE A 91 8.148 -1.179 -4.342 1.00 0.00 N ATOM 1320 CA ILE A 91 8.124 0.053 -3.563 1.00 0.00 C ATOM 1321 C ILE A 91 9.390 0.195 -2.725 1.00 0.00 C ATOM 1322 O ILE A 91 9.632 -0.592 -1.811 1.00 0.00 O ATOM 1323 CB ILE A 91 6.894 0.108 -2.636 1.00 0.00 C ATOM 1324 CG1 ILE A 91 5.617 -0.172 -3.428 1.00 0.00 C ATOM 1325 CG2 ILE A 91 6.809 1.461 -1.945 1.00 0.00 C ATOM 1326 CD1 ILE A 91 4.486 -0.713 -2.580 1.00 0.00 C ATOM 0 H ILE A 91 7.902 -2.017 -3.815 1.00 0.00 H new ATOM 0 HA ILE A 91 8.068 0.878 -4.273 1.00 0.00 H new ATOM 0 HB ILE A 91 7.001 -0.662 -1.872 1.00 0.00 H new ATOM 0 HG12 ILE A 91 5.290 0.749 -3.911 1.00 0.00 H new ATOM 0 HG13 ILE A 91 5.840 -0.886 -4.221 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.935 1.483 -1.294 1.00 0.00 H new ATOM 0 HG22 ILE A 91 7.708 1.623 -1.351 1.00 0.00 H new ATOM 0 HG23 ILE A 91 6.723 2.248 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 91 3.612 -0.888 -3.208 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.794 -1.650 -2.117 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.236 0.010 -1.803 1.00 0.00 H new ATOM 1338 N SER A 92 10.194 1.205 -3.042 1.00 0.00 N ATOM 1339 CA SER A 92 11.435 1.452 -2.316 1.00 0.00 C ATOM 1340 C SER A 92 11.428 2.838 -1.680 1.00 0.00 C ATOM 1341 O SER A 92 10.485 3.609 -1.859 1.00 0.00 O ATOM 1342 CB SER A 92 12.634 1.317 -3.258 1.00 0.00 C ATOM 1343 OG SER A 92 12.305 1.743 -4.568 1.00 0.00 O ATOM 0 H SER A 92 10.008 1.866 -3.797 1.00 0.00 H new ATOM 0 HA SER A 92 11.517 0.709 -1.522 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.467 1.909 -2.878 1.00 0.00 H new ATOM 0 HB3 SER A 92 12.966 0.279 -3.283 1.00 0.00 H new ATOM 0 HG SER A 92 13.088 1.648 -5.149 1.00 0.00 H new ATOM 1349 N LYS A 93 12.485 3.147 -0.936 1.00 0.00 N ATOM 1350 CA LYS A 93 12.600 4.440 -0.273 1.00 0.00 C ATOM 1351 C LYS A 93 12.705 5.569 -1.294 1.00 0.00 C ATOM 1352 O LYS A 93 13.193 5.370 -2.405 1.00 0.00 O ATOM 1353 CB LYS A 93 13.821 4.457 0.650 1.00 0.00 C ATOM 1354 CG LYS A 93 13.753 5.524 1.730 1.00 0.00 C ATOM 1355 CD LYS A 93 14.650 6.707 1.405 1.00 0.00 C ATOM 1356 CE LYS A 93 14.219 7.957 2.154 1.00 0.00 C ATOM 1357 NZ LYS A 93 15.264 9.017 2.116 1.00 0.00 N ATOM 0 H LYS A 93 13.274 2.520 -0.777 1.00 0.00 H new ATOM 0 HA LYS A 93 11.700 4.595 0.322 1.00 0.00 H new ATOM 0 HB2 LYS A 93 13.922 3.480 1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 93 14.717 4.616 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 93 12.724 5.866 1.840 1.00 0.00 H new ATOM 0 HG3 LYS A 93 14.050 5.094 2.687 1.00 0.00 H new ATOM 0 HD2 LYS A 93 15.681 6.465 1.663 1.00 0.00 H new ATOM 0 HD3 LYS A 93 14.627 6.898 0.332 1.00 0.00 H new ATOM 0 HE2 LYS A 93 13.297 8.341 1.718 1.00 0.00 H new ATOM 0 HE3 LYS A 93 13.999 7.701 3.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 15.016 9.773 2.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 16.183 8.608 2.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 15.324 9.411 1.155 1.00 0.00 H new ATOM 1371 N LEU A 94 12.242 6.754 -0.908 1.00 0.00 N ATOM 1372 CA LEU A 94 12.283 7.914 -1.789 1.00 0.00 C ATOM 1373 C LEU A 94 13.636 8.613 -1.706 1.00 0.00 C ATOM 1374 O LEU A 94 14.145 8.877 -0.617 1.00 0.00 O ATOM 1375 CB LEU A 94 11.167 8.896 -1.427 1.00 0.00 C ATOM 1376 CG LEU A 94 11.078 10.134 -2.320 1.00 0.00 C ATOM 1377 CD1 LEU A 94 10.132 9.886 -3.485 1.00 0.00 C ATOM 1378 CD2 LEU A 94 10.629 11.343 -1.512 1.00 0.00 C ATOM 0 H LEU A 94 11.834 6.935 0.009 1.00 0.00 H new ATOM 0 HA LEU A 94 12.135 7.567 -2.812 1.00 0.00 H new ATOM 0 HB2 LEU A 94 10.214 8.369 -1.467 1.00 0.00 H new ATOM 0 HB3 LEU A 94 11.310 9.220 -0.396 1.00 0.00 H new ATOM 0 HG LEU A 94 12.070 10.340 -2.723 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.082 10.778 -4.109 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.498 9.048 -4.079 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.138 9.654 -3.103 1.00 0.00 H new ATOM 0 HD21 LEU A 94 10.571 12.215 -2.164 1.00 0.00 H new ATOM 0 HD22 LEU A 94 9.648 11.148 -1.079 1.00 0.00 H new ATOM 0 HD23 LEU A 94 11.346 11.534 -0.713 1.00 0.00 H new