USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 513 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 59 CYS SG : rot 119:sc= 1.16 USER MOD Set 1.2: A 67 CYS SG : rot 122:sc= -0.452 USER MOD Set 1.3: A 72 CYS SG : rot -140:sc= 0.76 USER MOD Set 1.4: A 76 HIS : no HE2:sc= -0.543 X(o=0.93,f=0.88) USER MOD Set 2.1: A 62 TYR OH : rot 165:sc= -1.53 USER MOD Set 2.2: A 82 GLN : amide:sc= -7.44! C(o=-9!,f=-5.6!) USER MOD Set 3.1: A 23 CYS SG : rot 121:sc= 0.705 USER MOD Set 3.2: A 31 CYS SG : rot 123:sc= 0.65 USER MOD Set 3.3: A 38 CYS SG : rot 139:sc= 0.851 USER MOD Set 3.4: A 42 HIS : no HD1:sc= -2.4 X(o=-0.19,f=0.0096) USER MOD Set 4.1: A 27 GLN : amide:sc= -0.0041 K(o=-0.015,f=-0.95) USER MOD Set 4.2: A 54 ASN : amide:sc= -0.0114 X(o=-0.015,f=-0.33) USER MOD Single : A 17 THR OG1 : rot -14:sc= 0.202 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.0752 K(o=-0.075,f=-0.76) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot -89:sc= 0.443 USER MOD Single : A 55 THR OG1 : rot 180:sc=-0.00303 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -133:sc= -1.15 (180deg=-3.33!) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -13.1! C(o=-13!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 138:sc= -0.799 (180deg=-3.02!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -5.659 7.006 -10.581 1.00 0.00 N ATOM 217 CA THR A 17 -5.433 6.714 -9.171 1.00 0.00 C ATOM 218 C THR A 17 -5.525 5.217 -8.898 1.00 0.00 C ATOM 219 O THR A 17 -5.036 4.731 -7.878 1.00 0.00 O ATOM 220 CB THR A 17 -6.445 7.451 -8.275 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.221 7.114 -6.901 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.872 7.095 -8.663 1.00 0.00 C ATOM 0 HA THR A 17 -4.428 7.063 -8.933 1.00 0.00 H new ATOM 0 HB THR A 17 -6.304 8.523 -8.413 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.638 6.328 -6.848 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.569 7.628 -8.016 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.049 7.380 -9.700 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.022 6.021 -8.552 1.00 0.00 H new ATOM 230 N ASP A 18 -6.155 4.491 -9.815 1.00 0.00 N ATOM 231 CA ASP A 18 -6.310 3.048 -9.673 1.00 0.00 C ATOM 232 C ASP A 18 -5.162 2.308 -10.353 1.00 0.00 C ATOM 233 O ASP A 18 -5.347 1.223 -10.904 1.00 0.00 O ATOM 234 CB ASP A 18 -7.646 2.596 -10.266 1.00 0.00 C ATOM 235 CG ASP A 18 -8.821 2.937 -9.370 1.00 0.00 C ATOM 236 OD1 ASP A 18 -8.964 4.122 -9.004 1.00 0.00 O ATOM 237 OD2 ASP A 18 -9.598 2.018 -9.037 1.00 0.00 O ATOM 0 H ASP A 18 -6.566 4.878 -10.664 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.293 2.809 -8.610 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.786 3.066 -11.239 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.621 1.519 -10.433 1.00 0.00 H new ATOM 242 N LYS A 19 -3.975 2.904 -10.312 1.00 0.00 N ATOM 243 CA LYS A 19 -2.795 2.303 -10.924 1.00 0.00 C ATOM 244 C LYS A 19 -1.674 2.144 -9.902 1.00 0.00 C ATOM 245 O LYS A 19 -1.503 2.983 -9.017 1.00 0.00 O ATOM 246 CB LYS A 19 -2.313 3.158 -12.098 1.00 0.00 C ATOM 247 CG LYS A 19 -1.642 4.452 -11.672 1.00 0.00 C ATOM 248 CD LYS A 19 -0.814 5.048 -12.799 1.00 0.00 C ATOM 249 CE LYS A 19 0.197 6.056 -12.275 1.00 0.00 C ATOM 250 NZ LYS A 19 -0.368 7.433 -12.225 1.00 0.00 N ATOM 0 H LYS A 19 -3.804 3.803 -9.861 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.070 1.314 -11.292 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.613 2.576 -12.698 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.163 3.393 -12.739 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.400 5.169 -11.357 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.003 4.265 -10.809 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -0.293 4.251 -13.330 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.473 5.533 -13.519 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.521 5.760 -11.277 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.081 6.049 -12.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.352 8.091 -11.863 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.654 7.726 -13.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.196 7.446 -11.596 1.00 0.00 H new ATOM 264 N LEU A 20 -0.911 1.064 -10.031 1.00 0.00 N ATOM 265 CA LEU A 20 0.196 0.797 -9.120 1.00 0.00 C ATOM 266 C LEU A 20 1.487 0.539 -9.892 1.00 0.00 C ATOM 267 O LEU A 20 1.514 -0.265 -10.823 1.00 0.00 O ATOM 268 CB LEU A 20 -0.128 -0.405 -8.231 1.00 0.00 C ATOM 269 CG LEU A 20 -0.854 -0.095 -6.921 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.438 -1.364 -6.320 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.090 0.579 -5.936 1.00 0.00 C ATOM 0 H LEU A 20 -1.039 0.359 -10.757 1.00 0.00 H new ATOM 0 HA LEU A 20 0.339 1.677 -8.493 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.738 -1.102 -8.805 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.804 -0.918 -7.994 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.674 0.590 -7.136 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.950 -1.123 -5.389 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.147 -1.806 -7.020 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.636 -2.074 -6.119 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.443 0.793 -5.009 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.931 -0.083 -5.727 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.459 1.510 -6.365 1.00 0.00 H new ATOM 283 N GLU A 21 2.554 1.225 -9.496 1.00 0.00 N ATOM 284 CA GLU A 21 3.848 1.068 -10.150 1.00 0.00 C ATOM 285 C GLU A 21 4.510 -0.244 -9.740 1.00 0.00 C ATOM 286 O GLU A 21 4.930 -0.410 -8.595 1.00 0.00 O ATOM 287 CB GLU A 21 4.765 2.244 -9.804 1.00 0.00 C ATOM 288 CG GLU A 21 4.414 3.526 -10.540 1.00 0.00 C ATOM 289 CD GLU A 21 5.029 4.754 -9.898 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.767 4.992 -8.700 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.772 5.477 -10.594 1.00 0.00 O ATOM 0 H GLU A 21 2.548 1.894 -8.726 1.00 0.00 H new ATOM 0 HA GLU A 21 3.682 1.050 -11.227 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.718 2.427 -8.730 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.795 1.972 -10.036 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.754 3.452 -11.573 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.330 3.639 -10.568 1.00 0.00 H new ATOM 298 N VAL A 22 4.597 -1.176 -10.684 1.00 0.00 N ATOM 299 CA VAL A 22 5.208 -2.474 -10.423 1.00 0.00 C ATOM 300 C VAL A 22 6.692 -2.330 -10.108 1.00 0.00 C ATOM 301 O VAL A 22 7.430 -1.665 -10.835 1.00 0.00 O ATOM 302 CB VAL A 22 5.038 -3.426 -11.622 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.888 -4.674 -11.438 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.573 -3.791 -11.808 1.00 0.00 C ATOM 0 H VAL A 22 4.252 -1.056 -11.636 1.00 0.00 H new ATOM 0 HA VAL A 22 4.696 -2.896 -9.558 1.00 0.00 H new ATOM 0 HB VAL A 22 5.378 -2.914 -12.522 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.755 -5.335 -12.295 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.938 -4.391 -11.358 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.582 -5.192 -10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.471 -4.464 -12.659 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.204 -4.285 -10.909 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.993 -2.886 -11.989 1.00 0.00 H new ATOM 314 N CYS A 23 7.125 -2.959 -9.020 1.00 0.00 N ATOM 315 CA CYS A 23 8.522 -2.901 -8.608 1.00 0.00 C ATOM 316 C CYS A 23 9.430 -3.498 -9.679 1.00 0.00 C ATOM 317 O CYS A 23 9.029 -4.400 -10.416 1.00 0.00 O ATOM 318 CB CYS A 23 8.716 -3.647 -7.286 1.00 0.00 C ATOM 319 SG CYS A 23 10.040 -2.966 -6.236 1.00 0.00 S ATOM 0 H CYS A 23 6.528 -3.515 -8.408 1.00 0.00 H new ATOM 0 HA CYS A 23 8.792 -1.854 -8.470 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.779 -3.628 -6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.938 -4.692 -7.500 1.00 0.00 H new ATOM 0 HG CYS A 23 9.544 -2.610 -5.088 1.00 0.00 H new ATOM 324 N ARG A 24 10.655 -2.989 -9.760 1.00 0.00 N ATOM 325 CA ARG A 24 11.620 -3.470 -10.741 1.00 0.00 C ATOM 326 C ARG A 24 12.461 -4.605 -10.165 1.00 0.00 C ATOM 327 O ARG A 24 12.842 -5.532 -10.880 1.00 0.00 O ATOM 328 CB ARG A 24 12.529 -2.327 -11.197 1.00 0.00 C ATOM 329 CG ARG A 24 11.997 -1.568 -12.401 1.00 0.00 C ATOM 330 CD ARG A 24 12.606 -0.178 -12.497 1.00 0.00 C ATOM 331 NE ARG A 24 13.972 -0.214 -13.013 1.00 0.00 N ATOM 332 CZ ARG A 24 15.048 -0.300 -12.239 1.00 0.00 C ATOM 333 NH1 ARG A 24 14.918 -0.360 -10.921 1.00 0.00 N ATOM 334 NH2 ARG A 24 16.258 -0.328 -12.784 1.00 0.00 N ATOM 0 H ARG A 24 11.003 -2.243 -9.157 1.00 0.00 H new ATOM 0 HA ARG A 24 11.068 -3.850 -11.600 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.665 -1.630 -10.370 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.512 -2.731 -11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.217 -2.126 -13.311 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.912 -1.487 -12.331 1.00 0.00 H new ATOM 0 HD2 ARG A 24 11.990 0.444 -13.146 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.603 0.288 -11.512 1.00 0.00 H new ATOM 0 HE ARG A 24 14.107 -0.171 -14.023 1.00 0.00 H new ATOM 0 HH11 ARG A 24 13.990 -0.340 -10.499 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.746 -0.426 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 24 16.362 -0.283 -13.798 1.00 0.00 H new ATOM 0 HH22 ARG A 24 17.084 -0.394 -12.189 1.00 0.00 H new ATOM 348 N GLU A 25 12.746 -4.525 -8.869 1.00 0.00 N ATOM 349 CA GLU A 25 13.543 -5.545 -8.198 1.00 0.00 C ATOM 350 C GLU A 25 12.765 -6.852 -8.080 1.00 0.00 C ATOM 351 O GLU A 25 13.158 -7.875 -8.641 1.00 0.00 O ATOM 352 CB GLU A 25 13.966 -5.062 -6.809 1.00 0.00 C ATOM 353 CG GLU A 25 15.018 -3.967 -6.840 1.00 0.00 C ATOM 354 CD GLU A 25 14.413 -2.577 -6.887 1.00 0.00 C ATOM 355 OE1 GLU A 25 13.231 -2.457 -7.271 1.00 0.00 O ATOM 356 OE2 GLU A 25 15.122 -1.610 -6.540 1.00 0.00 O ATOM 0 H GLU A 25 12.437 -3.765 -8.263 1.00 0.00 H new ATOM 0 HA GLU A 25 14.435 -5.726 -8.798 1.00 0.00 H new ATOM 0 HB2 GLU A 25 13.088 -4.695 -6.278 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.352 -5.909 -6.241 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.653 -4.053 -5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 25 15.660 -4.109 -7.710 1.00 0.00 H new ATOM 363 N PHE A 26 11.659 -6.811 -7.344 1.00 0.00 N ATOM 364 CA PHE A 26 10.826 -7.992 -7.149 1.00 0.00 C ATOM 365 C PHE A 26 10.824 -8.868 -8.398 1.00 0.00 C ATOM 366 O PHE A 26 11.004 -10.083 -8.316 1.00 0.00 O ATOM 367 CB PHE A 26 9.394 -7.580 -6.800 1.00 0.00 C ATOM 368 CG PHE A 26 8.363 -8.596 -7.200 1.00 0.00 C ATOM 369 CD1 PHE A 26 8.010 -9.621 -6.337 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.747 -8.526 -8.439 1.00 0.00 C ATOM 371 CE1 PHE A 26 7.062 -10.558 -6.703 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.798 -9.460 -8.810 1.00 0.00 C ATOM 373 CZ PHE A 26 6.455 -10.477 -7.940 1.00 0.00 C ATOM 0 H PHE A 26 11.319 -5.973 -6.873 1.00 0.00 H new ATOM 0 HA PHE A 26 11.243 -8.568 -6.323 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.326 -7.408 -5.726 1.00 0.00 H new ATOM 0 HB3 PHE A 26 9.168 -6.633 -7.289 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.481 -9.689 -5.367 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.011 -7.733 -9.123 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.796 -11.353 -6.022 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.325 -9.395 -9.779 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.713 -11.207 -8.227 1.00 0.00 H new ATOM 383 N GLN A 27 10.619 -8.242 -9.553 1.00 0.00 N ATOM 384 CA GLN A 27 10.592 -8.965 -10.819 1.00 0.00 C ATOM 385 C GLN A 27 11.644 -10.069 -10.837 1.00 0.00 C ATOM 386 O GLN A 27 11.331 -11.235 -11.082 1.00 0.00 O ATOM 387 CB GLN A 27 10.826 -8.003 -11.985 1.00 0.00 C ATOM 388 CG GLN A 27 9.739 -6.950 -12.131 1.00 0.00 C ATOM 389 CD GLN A 27 9.716 -6.323 -13.511 1.00 0.00 C ATOM 390 OE1 GLN A 27 10.643 -6.500 -14.302 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.652 -5.586 -13.809 1.00 0.00 N ATOM 0 H GLN A 27 10.469 -7.237 -9.638 1.00 0.00 H new ATOM 0 HA GLN A 27 9.609 -9.423 -10.926 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.786 -7.506 -11.848 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.893 -8.576 -12.910 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.769 -7.403 -11.926 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.891 -6.171 -11.384 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.907 -5.466 -13.123 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.580 -5.140 -14.724 1.00 0.00 H new ATOM 400 N ARG A 28 12.893 -9.695 -10.578 1.00 0.00 N ATOM 401 CA ARG A 28 13.991 -10.654 -10.566 1.00 0.00 C ATOM 402 C ARG A 28 14.118 -11.319 -9.199 1.00 0.00 C ATOM 403 O ARG A 28 14.681 -12.406 -9.076 1.00 0.00 O ATOM 404 CB ARG A 28 15.305 -9.961 -10.932 1.00 0.00 C ATOM 405 CG ARG A 28 15.884 -9.120 -9.807 1.00 0.00 C ATOM 406 CD ARG A 28 17.099 -8.331 -10.269 1.00 0.00 C ATOM 407 NE ARG A 28 18.308 -9.151 -10.290 1.00 0.00 N ATOM 408 CZ ARG A 28 19.363 -8.885 -11.052 1.00 0.00 C ATOM 409 NH1 ARG A 28 19.358 -7.827 -11.851 1.00 0.00 N ATOM 410 NH2 ARG A 28 20.426 -9.678 -11.016 1.00 0.00 N ATOM 0 H ARG A 28 13.170 -8.735 -10.374 1.00 0.00 H new ATOM 0 HA ARG A 28 13.775 -11.424 -11.306 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.035 -10.716 -11.223 1.00 0.00 H new ATOM 0 HB3 ARG A 28 15.141 -9.325 -11.802 1.00 0.00 H new ATOM 0 HG2 ARG A 28 15.123 -8.434 -9.436 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.164 -9.766 -8.975 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.914 -7.932 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 28 17.251 -7.478 -9.607 1.00 0.00 H new ATOM 0 HE ARG A 28 18.344 -9.973 -9.687 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.543 -7.215 -11.882 1.00 0.00 H new ATOM 0 HH12 ARG A 28 20.170 -7.625 -12.435 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.434 -10.493 -10.403 1.00 0.00 H new ATOM 0 HH22 ARG A 28 21.235 -9.473 -11.602 1.00 0.00 H new ATOM 424 N GLY A 29 13.591 -10.657 -8.173 1.00 0.00 N ATOM 425 CA GLY A 29 13.656 -11.198 -6.828 1.00 0.00 C ATOM 426 C GLY A 29 14.793 -10.607 -6.020 1.00 0.00 C ATOM 427 O GLY A 29 15.617 -11.336 -5.469 1.00 0.00 O ATOM 0 H GLY A 29 13.120 -9.755 -8.250 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.713 -11.006 -6.317 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.776 -12.280 -6.880 1.00 0.00 H new ATOM 431 N ASN A 30 14.839 -9.280 -5.949 1.00 0.00 N ATOM 432 CA ASN A 30 15.886 -8.590 -5.204 1.00 0.00 C ATOM 433 C ASN A 30 15.284 -7.679 -4.138 1.00 0.00 C ATOM 434 O ASN A 30 15.922 -7.381 -3.128 1.00 0.00 O ATOM 435 CB ASN A 30 16.764 -7.773 -6.154 1.00 0.00 C ATOM 436 CG ASN A 30 18.103 -7.415 -5.539 1.00 0.00 C ATOM 437 OD1 ASN A 30 18.337 -7.649 -4.353 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.990 -6.843 -6.345 1.00 0.00 N ATOM 0 H ASN A 30 14.164 -8.662 -6.398 1.00 0.00 H new ATOM 0 HA ASN A 30 16.501 -9.342 -4.709 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.928 -8.340 -7.071 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.240 -6.859 -6.434 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.908 -6.579 -5.988 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.753 -6.668 -7.322 1.00 0.00 H new ATOM 445 N CYS A 31 14.052 -7.239 -4.371 1.00 0.00 N ATOM 446 CA CYS A 31 13.363 -6.361 -3.433 1.00 0.00 C ATOM 447 C CYS A 31 13.332 -6.976 -2.036 1.00 0.00 C ATOM 448 O CYS A 31 13.159 -8.184 -1.882 1.00 0.00 O ATOM 449 CB CYS A 31 11.937 -6.087 -3.913 1.00 0.00 C ATOM 450 SG CYS A 31 11.168 -4.617 -3.158 1.00 0.00 S ATOM 0 H CYS A 31 13.510 -7.476 -5.202 1.00 0.00 H new ATOM 0 HA CYS A 31 13.910 -5.420 -3.385 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.947 -5.963 -4.996 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.319 -6.958 -3.698 1.00 0.00 H new ATOM 0 HG CYS A 31 10.795 -3.794 -4.093 1.00 0.00 H new ATOM 455 N ALA A 32 13.500 -6.134 -1.022 1.00 0.00 N ATOM 456 CA ALA A 32 13.489 -6.593 0.362 1.00 0.00 C ATOM 457 C ALA A 32 12.233 -6.120 1.087 1.00 0.00 C ATOM 458 O ALA A 32 11.731 -6.798 1.983 1.00 0.00 O ATOM 459 CB ALA A 32 14.734 -6.108 1.089 1.00 0.00 C ATOM 0 H ALA A 32 13.645 -5.130 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 32 13.486 -7.683 0.357 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.712 -6.458 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.621 -6.499 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.762 -5.018 1.076 1.00 0.00 H new ATOM 465 N ARG A 33 11.732 -4.954 0.693 1.00 0.00 N ATOM 466 CA ARG A 33 10.536 -4.390 1.307 1.00 0.00 C ATOM 467 C ARG A 33 9.334 -5.308 1.100 1.00 0.00 C ATOM 468 O ARG A 33 8.384 -5.290 1.881 1.00 0.00 O ATOM 469 CB ARG A 33 10.241 -3.007 0.725 1.00 0.00 C ATOM 470 CG ARG A 33 11.097 -1.901 1.321 1.00 0.00 C ATOM 471 CD ARG A 33 10.884 -0.581 0.596 1.00 0.00 C ATOM 472 NE ARG A 33 11.764 0.469 1.102 1.00 0.00 N ATOM 473 CZ ARG A 33 12.074 1.563 0.415 1.00 0.00 C ATOM 474 NH1 ARG A 33 11.577 1.750 -0.800 1.00 0.00 N ATOM 475 NH2 ARG A 33 12.881 2.474 0.944 1.00 0.00 N ATOM 0 H ARG A 33 12.136 -4.382 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 33 10.719 -4.294 2.377 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.397 -3.035 -0.353 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.190 -2.770 0.889 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.855 -1.781 2.377 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.148 -2.183 1.265 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.062 -0.720 -0.470 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.846 -0.269 0.708 1.00 0.00 H new ATOM 0 HE ARG A 33 12.163 0.356 2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.955 1.053 -1.209 1.00 0.00 H new ATOM 0 HH12 ARG A 33 11.817 2.591 -1.325 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.264 2.335 1.879 1.00 0.00 H new ATOM 0 HH22 ARG A 33 13.118 3.314 0.416 1.00 0.00 H new ATOM 489 N GLY A 34 9.383 -6.108 0.039 1.00 0.00 N ATOM 490 CA GLY A 34 8.293 -7.021 -0.253 1.00 0.00 C ATOM 491 C GLY A 34 6.980 -6.300 -0.481 1.00 0.00 C ATOM 492 O GLY A 34 6.920 -5.073 -0.422 1.00 0.00 O ATOM 0 H GLY A 34 10.158 -6.140 -0.623 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.541 -7.607 -1.138 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.180 -7.723 0.573 1.00 0.00 H new ATOM 496 N GLU A 35 5.925 -7.065 -0.746 1.00 0.00 N ATOM 497 CA GLU A 35 4.606 -6.490 -0.987 1.00 0.00 C ATOM 498 C GLU A 35 3.920 -6.133 0.328 1.00 0.00 C ATOM 499 O GLU A 35 2.700 -5.973 0.382 1.00 0.00 O ATOM 500 CB GLU A 35 3.737 -7.468 -1.780 1.00 0.00 C ATOM 501 CG GLU A 35 2.342 -6.941 -2.074 1.00 0.00 C ATOM 502 CD GLU A 35 1.700 -7.624 -3.266 1.00 0.00 C ATOM 503 OE1 GLU A 35 2.440 -8.213 -4.081 1.00 0.00 O ATOM 504 OE2 GLU A 35 0.458 -7.570 -3.383 1.00 0.00 O ATOM 0 H GLU A 35 5.958 -8.083 -0.799 1.00 0.00 H new ATOM 0 HA GLU A 35 4.736 -5.577 -1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.234 -7.702 -2.722 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.654 -8.401 -1.223 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.712 -7.082 -1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.394 -5.868 -2.259 1.00 0.00 H new ATOM 511 N THR A 36 4.712 -6.010 1.389 1.00 0.00 N ATOM 512 CA THR A 36 4.182 -5.674 2.704 1.00 0.00 C ATOM 513 C THR A 36 4.767 -4.361 3.213 1.00 0.00 C ATOM 514 O THR A 36 4.099 -3.607 3.921 1.00 0.00 O ATOM 515 CB THR A 36 4.476 -6.785 3.729 1.00 0.00 C ATOM 516 OG1 THR A 36 5.870 -7.114 3.709 1.00 0.00 O ATOM 517 CG2 THR A 36 3.653 -8.029 3.429 1.00 0.00 C ATOM 0 H THR A 36 5.724 -6.138 1.363 1.00 0.00 H new ATOM 0 HA THR A 36 3.103 -5.569 2.593 1.00 0.00 H new ATOM 0 HB THR A 36 4.204 -6.417 4.718 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.049 -7.820 4.365 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.877 -8.800 4.166 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.592 -7.783 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.899 -8.397 2.433 1.00 0.00 H new ATOM 525 N ASP A 37 6.016 -4.095 2.849 1.00 0.00 N ATOM 526 CA ASP A 37 6.690 -2.871 3.267 1.00 0.00 C ATOM 527 C ASP A 37 7.063 -2.016 2.061 1.00 0.00 C ATOM 528 O ASP A 37 7.516 -0.880 2.207 1.00 0.00 O ATOM 529 CB ASP A 37 7.943 -3.206 4.078 1.00 0.00 C ATOM 530 CG ASP A 37 8.723 -1.968 4.477 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.085 -0.939 4.782 1.00 0.00 O ATOM 532 OD2 ASP A 37 9.970 -2.028 4.483 1.00 0.00 O ATOM 0 H ASP A 37 6.583 -4.710 2.265 1.00 0.00 H new ATOM 0 HA ASP A 37 6.002 -2.302 3.893 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.656 -3.755 4.974 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.586 -3.864 3.493 1.00 0.00 H new ATOM 537 N CYS A 38 6.871 -2.569 0.868 1.00 0.00 N ATOM 538 CA CYS A 38 7.189 -1.859 -0.365 1.00 0.00 C ATOM 539 C CYS A 38 5.955 -1.149 -0.917 1.00 0.00 C ATOM 540 O CYS A 38 4.879 -1.739 -1.016 1.00 0.00 O ATOM 541 CB CYS A 38 7.742 -2.830 -1.410 1.00 0.00 C ATOM 542 SG CYS A 38 8.634 -2.021 -2.778 1.00 0.00 S ATOM 0 H CYS A 38 6.496 -3.507 0.729 1.00 0.00 H new ATOM 0 HA CYS A 38 7.947 -1.110 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.414 -3.533 -0.918 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.918 -3.412 -1.822 1.00 0.00 H new ATOM 0 HG CYS A 38 9.701 -2.706 -3.066 1.00 0.00 H new ATOM 547 N ARG A 39 6.120 0.120 -1.276 1.00 0.00 N ATOM 548 CA ARG A 39 5.021 0.910 -1.817 1.00 0.00 C ATOM 549 C ARG A 39 4.601 0.389 -3.188 1.00 0.00 C ATOM 550 O ARG A 39 3.422 0.421 -3.541 1.00 0.00 O ATOM 551 CB ARG A 39 5.426 2.382 -1.920 1.00 0.00 C ATOM 552 CG ARG A 39 5.924 2.970 -0.611 1.00 0.00 C ATOM 553 CD ARG A 39 4.786 3.575 0.197 1.00 0.00 C ATOM 554 NE ARG A 39 4.494 4.946 -0.211 1.00 0.00 N ATOM 555 CZ ARG A 39 3.870 5.826 0.564 1.00 0.00 C ATOM 556 NH1 ARG A 39 3.476 5.481 1.781 1.00 0.00 N ATOM 557 NH2 ARG A 39 3.640 7.056 0.121 1.00 0.00 N ATOM 0 H ARG A 39 7.004 0.623 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 39 4.173 0.820 -1.138 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.207 2.483 -2.674 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.571 2.962 -2.267 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.415 2.193 -0.025 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.673 3.735 -0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 39 3.892 2.963 0.078 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.045 3.559 1.256 1.00 0.00 H new ATOM 0 HE ARG A 39 4.785 5.244 -1.142 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.652 4.537 2.125 1.00 0.00 H new ATOM 0 HH12 ARG A 39 2.997 6.159 2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.942 7.326 -0.815 1.00 0.00 H new ATOM 0 HH22 ARG A 39 3.161 7.731 0.717 1.00 0.00 H new ATOM 571 N PHE A 40 5.573 -0.089 -3.957 1.00 0.00 N ATOM 572 CA PHE A 40 5.305 -0.615 -5.291 1.00 0.00 C ATOM 573 C PHE A 40 4.613 -1.973 -5.210 1.00 0.00 C ATOM 574 O PHE A 40 4.957 -2.808 -4.375 1.00 0.00 O ATOM 575 CB PHE A 40 6.607 -0.739 -6.085 1.00 0.00 C ATOM 576 CG PHE A 40 7.329 0.566 -6.260 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.714 1.634 -6.892 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.624 0.724 -5.791 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.376 2.836 -7.054 1.00 0.00 C ATOM 580 CE2 PHE A 40 9.291 1.924 -5.950 1.00 0.00 C ATOM 581 CZ PHE A 40 8.667 2.981 -6.583 1.00 0.00 C ATOM 0 H PHE A 40 6.554 -0.123 -3.680 1.00 0.00 H new ATOM 0 HA PHE A 40 4.641 0.082 -5.803 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.266 -1.445 -5.579 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.386 -1.157 -7.067 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.705 1.526 -7.263 1.00 0.00 H new ATOM 0 HD2 PHE A 40 9.117 -0.100 -5.296 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.885 3.661 -7.548 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.299 2.035 -5.580 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.187 3.919 -6.710 1.00 0.00 H new ATOM 591 N ALA A 41 3.636 -2.185 -6.086 1.00 0.00 N ATOM 592 CA ALA A 41 2.896 -3.441 -6.116 1.00 0.00 C ATOM 593 C ALA A 41 3.727 -4.552 -6.748 1.00 0.00 C ATOM 594 O ALA A 41 4.362 -4.353 -7.785 1.00 0.00 O ATOM 595 CB ALA A 41 1.586 -3.264 -6.869 1.00 0.00 C ATOM 0 H ALA A 41 3.339 -1.503 -6.784 1.00 0.00 H new ATOM 0 HA ALA A 41 2.675 -3.729 -5.088 1.00 0.00 H new ATOM 0 HB1 ALA A 41 1.044 -4.210 -6.884 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.980 -2.506 -6.372 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.794 -2.949 -7.892 1.00 0.00 H new ATOM 601 N HIS A 42 3.718 -5.723 -6.119 1.00 0.00 N ATOM 602 CA HIS A 42 4.472 -6.866 -6.621 1.00 0.00 C ATOM 603 C HIS A 42 3.539 -7.901 -7.243 1.00 0.00 C ATOM 604 O HIS A 42 2.899 -8.692 -6.550 1.00 0.00 O ATOM 605 CB HIS A 42 5.281 -7.506 -5.492 1.00 0.00 C ATOM 606 CG HIS A 42 6.362 -6.620 -4.954 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.354 -7.071 -4.108 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.606 -5.303 -5.148 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.159 -6.069 -3.803 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.727 -4.985 -4.422 1.00 0.00 N ATOM 0 H HIS A 42 3.197 -5.905 -5.261 1.00 0.00 H new ATOM 0 HA HIS A 42 5.156 -6.509 -7.391 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.606 -7.776 -4.680 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.728 -8.431 -5.856 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.027 -4.628 -5.760 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.023 -6.126 -3.158 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.157 -4.061 -4.369 1.00 0.00 H new ATOM 618 N PRO A 43 3.458 -7.896 -8.582 1.00 0.00 N ATOM 619 CA PRO A 43 2.605 -8.828 -9.327 1.00 0.00 C ATOM 620 C PRO A 43 3.121 -10.261 -9.265 1.00 0.00 C ATOM 621 O PRO A 43 4.200 -10.565 -9.773 1.00 0.00 O ATOM 622 CB PRO A 43 2.669 -8.298 -10.761 1.00 0.00 C ATOM 623 CG PRO A 43 3.966 -7.568 -10.838 1.00 0.00 C ATOM 624 CD PRO A 43 4.192 -6.981 -9.472 1.00 0.00 C ATOM 0 HA PRO A 43 1.595 -8.872 -8.919 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.629 -9.111 -11.486 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.829 -7.637 -10.977 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.778 -8.242 -11.112 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.930 -6.787 -11.597 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.252 -6.942 -9.222 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.810 -5.962 -9.404 1.00 0.00 H new ATOM 696 N ILE A 49 1.388 -7.426 -15.961 1.00 0.00 N ATOM 697 CA ILE A 49 2.141 -6.178 -15.973 1.00 0.00 C ATOM 698 C ILE A 49 1.989 -5.457 -17.308 1.00 0.00 C ATOM 699 O ILE A 49 2.043 -6.078 -18.370 1.00 0.00 O ATOM 700 CB ILE A 49 3.638 -6.420 -15.701 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.832 -7.048 -14.319 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.414 -5.116 -15.810 1.00 0.00 C ATOM 703 CD1 ILE A 49 5.104 -7.857 -14.196 1.00 0.00 C ATOM 0 HA ILE A 49 1.732 -5.555 -15.177 1.00 0.00 H new ATOM 0 HB ILE A 49 4.022 -7.112 -16.451 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.839 -6.258 -13.568 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.980 -7.690 -14.098 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.470 -5.304 -15.615 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.297 -4.706 -16.813 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.031 -4.403 -15.080 1.00 0.00 H new ATOM 0 HD11 ILE A 49 5.175 -8.272 -13.191 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.091 -8.669 -14.924 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.964 -7.214 -14.385 1.00 0.00 H new ATOM 715 N ASP A 50 1.801 -4.144 -17.247 1.00 0.00 N ATOM 716 CA ASP A 50 1.645 -3.337 -18.452 1.00 0.00 C ATOM 717 C ASP A 50 3.002 -2.995 -19.058 1.00 0.00 C ATOM 718 O ASP A 50 3.767 -2.211 -18.494 1.00 0.00 O ATOM 719 CB ASP A 50 0.876 -2.053 -18.135 1.00 0.00 C ATOM 720 CG ASP A 50 -0.618 -2.285 -18.026 1.00 0.00 C ATOM 721 OD1 ASP A 50 -1.183 -2.947 -18.922 1.00 0.00 O ATOM 722 OD2 ASP A 50 -1.224 -1.805 -17.045 1.00 0.00 O ATOM 0 H ASP A 50 1.753 -3.615 -16.376 1.00 0.00 H new ATOM 0 HA ASP A 50 1.080 -3.920 -19.179 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.245 -1.634 -17.199 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.070 -1.315 -18.913 1.00 0.00 H new ATOM 727 N THR A 51 3.298 -3.590 -20.209 1.00 0.00 N ATOM 728 CA THR A 51 4.563 -3.350 -20.891 1.00 0.00 C ATOM 729 C THR A 51 4.593 -1.964 -21.525 1.00 0.00 C ATOM 730 O THR A 51 5.557 -1.600 -22.198 1.00 0.00 O ATOM 731 CB THR A 51 4.823 -4.407 -21.981 1.00 0.00 C ATOM 732 OG1 THR A 51 3.708 -4.472 -22.876 1.00 0.00 O ATOM 733 CG2 THR A 51 5.063 -5.776 -21.362 1.00 0.00 C ATOM 0 H THR A 51 2.678 -4.242 -20.689 1.00 0.00 H new ATOM 0 HA THR A 51 5.346 -3.417 -20.136 1.00 0.00 H new ATOM 0 HB THR A 51 5.716 -4.114 -22.534 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.882 -5.145 -23.567 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.244 -6.506 -22.151 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.931 -5.731 -20.704 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.186 -6.074 -20.787 1.00 0.00 H new ATOM 741 N SER A 52 3.532 -1.195 -21.305 1.00 0.00 N ATOM 742 CA SER A 52 3.435 0.151 -21.858 1.00 0.00 C ATOM 743 C SER A 52 3.922 1.188 -20.851 1.00 0.00 C ATOM 744 O SER A 52 4.685 2.091 -21.193 1.00 0.00 O ATOM 745 CB SER A 52 1.992 0.455 -22.265 1.00 0.00 C ATOM 746 OG SER A 52 1.878 1.763 -22.800 1.00 0.00 O ATOM 0 H SER A 52 2.727 -1.481 -20.748 1.00 0.00 H new ATOM 0 HA SER A 52 4.072 0.202 -22.741 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.658 -0.274 -23.003 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.338 0.354 -21.399 1.00 0.00 H new ATOM 0 HG SER A 52 1.693 2.397 -22.076 1.00 0.00 H new ATOM 752 N ASP A 53 3.474 1.052 -19.608 1.00 0.00 N ATOM 753 CA ASP A 53 3.863 1.976 -18.549 1.00 0.00 C ATOM 754 C ASP A 53 4.401 1.219 -17.338 1.00 0.00 C ATOM 755 O ASP A 53 4.587 1.795 -16.267 1.00 0.00 O ATOM 756 CB ASP A 53 2.673 2.844 -18.137 1.00 0.00 C ATOM 757 CG ASP A 53 2.046 3.562 -19.315 1.00 0.00 C ATOM 758 OD1 ASP A 53 1.371 2.895 -20.127 1.00 0.00 O ATOM 759 OD2 ASP A 53 2.228 4.793 -19.425 1.00 0.00 O ATOM 0 H ASP A 53 2.841 0.310 -19.309 1.00 0.00 H new ATOM 0 HA ASP A 53 4.655 2.619 -18.934 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.921 2.220 -17.654 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.000 3.578 -17.400 1.00 0.00 H new ATOM 764 N ASN A 54 4.646 -0.075 -17.516 1.00 0.00 N ATOM 765 CA ASN A 54 5.160 -0.911 -16.438 1.00 0.00 C ATOM 766 C ASN A 54 4.352 -0.708 -15.160 1.00 0.00 C ATOM 767 O ASN A 54 4.913 -0.552 -14.074 1.00 0.00 O ATOM 768 CB ASN A 54 6.635 -0.595 -16.178 1.00 0.00 C ATOM 769 CG ASN A 54 7.357 -1.735 -15.488 1.00 0.00 C ATOM 770 OD1 ASN A 54 7.441 -2.843 -16.017 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.884 -1.468 -14.298 1.00 0.00 N ATOM 0 H ASN A 54 4.497 -0.567 -18.397 1.00 0.00 H new ATOM 0 HA ASN A 54 5.067 -1.953 -16.744 1.00 0.00 H new ATOM 0 HB2 ASN A 54 7.129 -0.375 -17.124 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.709 0.303 -15.564 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.382 -2.196 -13.786 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.791 -0.535 -13.897 1.00 0.00 H new ATOM 778 N THR A 55 3.030 -0.711 -15.295 1.00 0.00 N ATOM 779 CA THR A 55 2.144 -0.526 -14.153 1.00 0.00 C ATOM 780 C THR A 55 1.013 -1.548 -14.163 1.00 0.00 C ATOM 781 O THR A 55 0.850 -2.299 -15.125 1.00 0.00 O ATOM 782 CB THR A 55 1.540 0.891 -14.133 1.00 0.00 C ATOM 783 OG1 THR A 55 1.093 1.251 -15.445 1.00 0.00 O ATOM 784 CG2 THR A 55 2.559 1.907 -13.642 1.00 0.00 C ATOM 0 H THR A 55 2.549 -0.840 -16.185 1.00 0.00 H new ATOM 0 HA THR A 55 2.750 -0.667 -13.258 1.00 0.00 H new ATOM 0 HB THR A 55 0.692 0.891 -13.448 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.709 2.152 -15.424 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.109 2.900 -13.637 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.875 1.646 -12.632 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.424 1.904 -14.305 1.00 0.00 H new ATOM 792 N VAL A 56 0.233 -1.572 -13.087 1.00 0.00 N ATOM 793 CA VAL A 56 -0.885 -2.501 -12.974 1.00 0.00 C ATOM 794 C VAL A 56 -2.160 -1.779 -12.552 1.00 0.00 C ATOM 795 O VAL A 56 -2.109 -0.736 -11.899 1.00 0.00 O ATOM 796 CB VAL A 56 -0.583 -3.621 -11.960 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.653 -4.402 -12.379 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.410 -3.042 -10.564 1.00 0.00 C ATOM 0 H VAL A 56 0.355 -0.959 -12.281 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.031 -2.942 -13.960 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.428 -4.309 -11.942 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.851 -5.189 -11.651 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.486 -4.849 -13.359 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.509 -3.729 -12.428 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.197 -3.847 -9.860 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.417 -2.332 -10.564 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.326 -2.532 -10.266 1.00 0.00 H new ATOM 808 N THR A 57 -3.304 -2.341 -12.929 1.00 0.00 N ATOM 809 CA THR A 57 -4.593 -1.750 -12.591 1.00 0.00 C ATOM 810 C THR A 57 -4.953 -2.014 -11.134 1.00 0.00 C ATOM 811 O THR A 57 -4.461 -2.964 -10.524 1.00 0.00 O ATOM 812 CB THR A 57 -5.716 -2.298 -13.493 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.266 -2.361 -14.851 1.00 0.00 O ATOM 814 CG2 THR A 57 -6.957 -1.423 -13.404 1.00 0.00 C ATOM 0 H THR A 57 -3.364 -3.205 -13.468 1.00 0.00 H new ATOM 0 HA THR A 57 -4.500 -0.676 -12.751 1.00 0.00 H new ATOM 0 HB THR A 57 -5.973 -3.300 -13.149 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.984 -2.712 -15.418 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.736 -1.830 -14.049 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.314 -1.401 -12.374 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.712 -0.411 -13.725 1.00 0.00 H new ATOM 822 N VAL A 58 -5.816 -1.168 -10.580 1.00 0.00 N ATOM 823 CA VAL A 58 -6.243 -1.311 -9.193 1.00 0.00 C ATOM 824 C VAL A 58 -7.764 -1.282 -9.081 1.00 0.00 C ATOM 825 O VAL A 58 -8.410 -0.325 -9.507 1.00 0.00 O ATOM 826 CB VAL A 58 -5.653 -0.199 -8.306 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.150 -0.337 -6.875 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.133 -0.229 -8.356 1.00 0.00 C ATOM 0 H VAL A 58 -6.233 -0.377 -11.070 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.874 -2.276 -8.846 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.988 0.765 -8.690 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -5.723 0.457 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.237 -0.262 -6.859 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -5.847 -1.305 -6.476 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.732 0.563 -7.724 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.776 -1.195 -7.998 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.800 -0.077 -9.383 1.00 0.00 H new ATOM 838 N CYS A 59 -8.329 -2.337 -8.504 1.00 0.00 N ATOM 839 CA CYS A 59 -9.774 -2.434 -8.335 1.00 0.00 C ATOM 840 C CYS A 59 -10.328 -1.180 -7.664 1.00 0.00 C ATOM 841 O CYS A 59 -9.731 -0.650 -6.728 1.00 0.00 O ATOM 842 CB CYS A 59 -10.130 -3.669 -7.506 1.00 0.00 C ATOM 843 SG CYS A 59 -11.919 -3.990 -7.381 1.00 0.00 S ATOM 0 H CYS A 59 -7.808 -3.137 -8.145 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.225 -2.526 -9.323 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.645 -4.541 -7.946 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.722 -3.550 -6.502 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.189 -5.150 -7.903 1.00 0.00 H new ATOM 848 N MET A 60 -11.474 -0.713 -8.150 1.00 0.00 N ATOM 849 CA MET A 60 -12.110 0.477 -7.596 1.00 0.00 C ATOM 850 C MET A 60 -12.975 0.120 -6.391 1.00 0.00 C ATOM 851 O MET A 60 -12.798 0.669 -5.304 1.00 0.00 O ATOM 852 CB MET A 60 -12.960 1.170 -8.662 1.00 0.00 C ATOM 853 CG MET A 60 -13.389 2.577 -8.278 1.00 0.00 C ATOM 854 SD MET A 60 -12.072 3.789 -8.499 1.00 0.00 S ATOM 855 CE MET A 60 -11.260 3.700 -6.905 1.00 0.00 C ATOM 0 H MET A 60 -11.981 -1.140 -8.925 1.00 0.00 H new ATOM 0 HA MET A 60 -11.325 1.159 -7.268 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.396 1.213 -9.594 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.848 0.568 -8.855 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.250 2.867 -8.880 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.712 2.583 -7.237 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.088 4.708 -6.527 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.892 3.153 -6.205 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.305 3.185 -7.011 1.00 0.00 H new ATOM 865 N ASP A 61 -13.911 -0.801 -6.593 1.00 0.00 N ATOM 866 CA ASP A 61 -14.803 -1.232 -5.523 1.00 0.00 C ATOM 867 C ASP A 61 -14.011 -1.635 -4.283 1.00 0.00 C ATOM 868 O ASP A 61 -14.213 -1.086 -3.200 1.00 0.00 O ATOM 869 CB ASP A 61 -15.670 -2.401 -5.992 1.00 0.00 C ATOM 870 CG ASP A 61 -16.911 -1.942 -6.732 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.896 -0.818 -7.274 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.897 -2.707 -6.769 1.00 0.00 O ATOM 0 H ASP A 61 -14.072 -1.263 -7.488 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.448 -0.393 -5.262 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.081 -3.048 -6.642 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.965 -2.999 -5.130 1.00 0.00 H new ATOM 877 N TYR A 62 -13.110 -2.596 -4.450 1.00 0.00 N ATOM 878 CA TYR A 62 -12.289 -3.075 -3.344 1.00 0.00 C ATOM 879 C TYR A 62 -11.868 -1.922 -2.439 1.00 0.00 C ATOM 880 O TYR A 62 -12.051 -1.975 -1.222 1.00 0.00 O ATOM 881 CB TYR A 62 -11.052 -3.799 -3.876 1.00 0.00 C ATOM 882 CG TYR A 62 -10.107 -4.262 -2.790 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.562 -5.034 -1.729 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.759 -3.927 -2.826 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.703 -5.459 -0.734 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.892 -4.348 -1.836 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.369 -5.113 -0.792 1.00 0.00 C ATOM 888 OH TYR A 62 -7.509 -5.535 0.197 1.00 0.00 O ATOM 0 H TYR A 62 -12.929 -3.059 -5.341 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.886 -3.773 -2.758 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.370 -4.662 -4.461 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.516 -3.134 -4.553 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.606 -5.307 -1.681 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.383 -3.327 -3.642 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.074 -6.059 0.084 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.847 -4.080 -1.879 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.583 -5.420 -0.103 1.00 0.00 H new ATOM 898 N ILE A 63 -11.304 -0.881 -3.042 1.00 0.00 N ATOM 899 CA ILE A 63 -10.858 0.286 -2.292 1.00 0.00 C ATOM 900 C ILE A 63 -11.961 0.804 -1.374 1.00 0.00 C ATOM 901 O ILE A 63 -11.703 1.202 -0.238 1.00 0.00 O ATOM 902 CB ILE A 63 -10.411 1.422 -3.231 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.247 0.959 -4.109 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.018 2.652 -2.426 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.005 0.597 -3.325 1.00 0.00 C ATOM 0 H ILE A 63 -11.145 -0.822 -4.048 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.007 -0.032 -1.690 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.247 1.688 -3.878 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.564 0.094 -4.692 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.001 1.749 -4.819 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.705 3.446 -3.104 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.872 2.992 -1.840 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.195 2.401 -1.756 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.221 0.278 -4.012 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.663 1.466 -2.763 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.234 -0.214 -2.634 1.00 0.00 H new ATOM 917 N LYS A 64 -13.192 0.795 -1.874 1.00 0.00 N ATOM 918 CA LYS A 64 -14.336 1.261 -1.100 1.00 0.00 C ATOM 919 C LYS A 64 -14.558 0.380 0.125 1.00 0.00 C ATOM 920 O LYS A 64 -15.109 0.826 1.131 1.00 0.00 O ATOM 921 CB LYS A 64 -15.596 1.271 -1.969 1.00 0.00 C ATOM 922 CG LYS A 64 -15.526 2.250 -3.128 1.00 0.00 C ATOM 923 CD LYS A 64 -15.520 3.690 -2.643 1.00 0.00 C ATOM 924 CE LYS A 64 -16.889 4.111 -2.131 1.00 0.00 C ATOM 925 NZ LYS A 64 -16.834 5.410 -1.405 1.00 0.00 N ATOM 0 H LYS A 64 -13.423 0.470 -2.813 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.126 2.276 -0.763 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.765 0.268 -2.361 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.455 1.519 -1.346 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.626 2.059 -3.713 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.377 2.092 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.782 3.805 -1.849 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.217 4.348 -3.457 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.581 4.192 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.281 3.340 -1.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -17.786 5.662 -1.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -16.193 5.325 -0.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -16.484 6.151 -2.045 1.00 0.00 H new ATOM 939 N GLY A 65 -14.125 -0.874 0.034 1.00 0.00 N ATOM 940 CA GLY A 65 -14.284 -1.797 1.143 1.00 0.00 C ATOM 941 C GLY A 65 -15.174 -2.973 0.794 1.00 0.00 C ATOM 942 O GLY A 65 -15.162 -3.994 1.482 1.00 0.00 O ATOM 0 H GLY A 65 -13.667 -1.267 -0.788 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.305 -2.165 1.449 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.706 -1.266 1.996 1.00 0.00 H new ATOM 946 N ARG A 66 -15.950 -2.830 -0.276 1.00 0.00 N ATOM 947 CA ARG A 66 -16.852 -3.889 -0.712 1.00 0.00 C ATOM 948 C ARG A 66 -16.667 -4.182 -2.198 1.00 0.00 C ATOM 949 O ARG A 66 -17.162 -3.447 -3.053 1.00 0.00 O ATOM 950 CB ARG A 66 -18.304 -3.496 -0.436 1.00 0.00 C ATOM 951 CG ARG A 66 -18.642 -3.416 1.044 1.00 0.00 C ATOM 952 CD ARG A 66 -18.417 -2.015 1.592 1.00 0.00 C ATOM 953 NE ARG A 66 -18.953 -1.862 2.942 1.00 0.00 N ATOM 954 CZ ARG A 66 -18.237 -2.060 4.043 1.00 0.00 C ATOM 955 NH1 ARG A 66 -16.963 -2.417 3.955 1.00 0.00 N ATOM 956 NH2 ARG A 66 -18.796 -1.901 5.236 1.00 0.00 N ATOM 0 H ARG A 66 -15.972 -1.991 -0.856 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.613 -4.791 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.504 -2.530 -0.899 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.965 -4.220 -0.912 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -19.682 -3.705 1.197 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.029 -4.127 1.597 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -17.349 -1.796 1.599 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.887 -1.287 0.931 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.930 -1.588 3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -16.530 -2.540 3.040 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -16.416 -2.568 4.803 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.776 -1.627 5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -18.246 -2.053 6.081 1.00 0.00 H new ATOM 970 N CYS A 67 -15.951 -5.260 -2.499 1.00 0.00 N ATOM 971 CA CYS A 67 -15.699 -5.651 -3.880 1.00 0.00 C ATOM 972 C CYS A 67 -16.396 -6.968 -4.208 1.00 0.00 C ATOM 973 O CYS A 67 -15.893 -8.045 -3.889 1.00 0.00 O ATOM 974 CB CYS A 67 -14.195 -5.781 -4.130 1.00 0.00 C ATOM 975 SG CYS A 67 -13.766 -6.822 -5.562 1.00 0.00 S ATOM 0 H CYS A 67 -15.535 -5.879 -1.803 1.00 0.00 H new ATOM 0 HA CYS A 67 -16.102 -4.875 -4.530 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.775 -4.786 -4.279 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.724 -6.196 -3.239 1.00 0.00 H new ATOM 0 HG CYS A 67 -13.071 -6.126 -6.412 1.00 0.00 H new ATOM 980 N MET A 68 -17.557 -6.874 -4.849 1.00 0.00 N ATOM 981 CA MET A 68 -18.323 -8.058 -5.221 1.00 0.00 C ATOM 982 C MET A 68 -18.671 -8.034 -6.706 1.00 0.00 C ATOM 983 O MET A 68 -19.685 -8.594 -7.124 1.00 0.00 O ATOM 984 CB MET A 68 -19.602 -8.148 -4.387 1.00 0.00 C ATOM 985 CG MET A 68 -20.232 -9.531 -4.389 1.00 0.00 C ATOM 986 SD MET A 68 -19.293 -10.724 -3.416 1.00 0.00 S ATOM 987 CE MET A 68 -20.230 -10.729 -1.890 1.00 0.00 C ATOM 0 H MET A 68 -17.988 -5.990 -5.121 1.00 0.00 H new ATOM 0 HA MET A 68 -17.708 -8.936 -5.023 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.377 -7.862 -3.360 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.326 -7.427 -4.768 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.246 -9.465 -3.995 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.312 -9.888 -5.416 1.00 0.00 H new ATOM 0 HE1 MET A 68 -19.772 -11.422 -1.184 1.00 0.00 H new ATOM 0 HE2 MET A 68 -20.235 -9.726 -1.463 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.254 -11.042 -2.093 1.00 0.00 H new ATOM 997 N ARG A 69 -17.826 -7.383 -7.498 1.00 0.00 N ATOM 998 CA ARG A 69 -18.046 -7.285 -8.936 1.00 0.00 C ATOM 999 C ARG A 69 -18.184 -8.671 -9.560 1.00 0.00 C ATOM 1000 O ARG A 69 -17.870 -9.680 -8.929 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.894 -6.528 -9.600 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.872 -5.044 -9.272 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.975 -4.276 -10.229 1.00 0.00 C ATOM 1004 NE ARG A 69 -16.556 -4.178 -11.565 1.00 0.00 N ATOM 1005 CZ ARG A 69 -17.374 -3.201 -11.941 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -17.705 -2.243 -11.086 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -17.863 -3.180 -13.174 1.00 0.00 N ATOM 0 H ARG A 69 -16.982 -6.915 -7.168 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.974 -6.737 -9.100 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.950 -6.974 -9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.964 -6.652 -10.681 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.885 -4.644 -9.321 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.522 -4.901 -8.250 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.799 -3.275 -9.836 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -15.005 -4.769 -10.291 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.321 -4.899 -12.247 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -17.331 -2.255 -10.137 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -18.333 -1.494 -11.377 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -17.611 -3.915 -13.835 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -18.491 -2.429 -13.461 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.657 -8.711 -10.801 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.838 -9.973 -11.509 1.00 0.00 C ATOM 1023 C GLU A 70 -17.491 -10.593 -11.869 1.00 0.00 C ATOM 1024 O GLU A 70 -16.862 -10.210 -12.856 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.668 -9.759 -12.776 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.479 -10.976 -13.186 1.00 0.00 C ATOM 1027 CD GLU A 70 -19.608 -12.168 -13.532 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -19.192 -12.889 -12.602 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -19.343 -12.379 -14.734 1.00 0.00 O ATOM 0 H GLU A 70 -18.922 -7.885 -11.337 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.369 -10.658 -10.847 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.344 -8.918 -12.619 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.002 -9.484 -13.594 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -21.155 -11.248 -12.375 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -21.099 -10.722 -14.046 1.00 0.00 H new ATOM 1036 N LYS A 71 -17.053 -11.553 -11.062 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.782 -12.228 -11.294 1.00 0.00 C ATOM 1038 C LYS A 71 -14.640 -11.221 -11.384 1.00 0.00 C ATOM 1039 O LYS A 71 -13.879 -11.214 -12.353 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.848 -13.057 -12.578 1.00 0.00 C ATOM 1041 CG LYS A 71 -16.600 -14.367 -12.419 1.00 0.00 C ATOM 1042 CD LYS A 71 -15.739 -15.426 -11.750 1.00 0.00 C ATOM 1043 CE LYS A 71 -16.390 -16.799 -11.821 1.00 0.00 C ATOM 1044 NZ LYS A 71 -17.466 -16.957 -10.804 1.00 0.00 N ATOM 0 H LYS A 71 -17.560 -11.881 -10.240 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.592 -12.892 -10.450 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.327 -12.465 -13.358 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.834 -13.269 -12.916 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.500 -14.201 -11.827 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.923 -14.724 -13.397 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -14.762 -15.460 -12.232 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -15.571 -15.155 -10.708 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -16.806 -16.952 -12.817 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -15.632 -17.568 -11.670 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.884 -17.906 -10.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.065 -16.836 -9.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.202 -16.240 -10.963 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.524 -10.371 -10.369 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.475 -9.360 -10.333 1.00 0.00 C ATOM 1060 C CYS A 72 -12.118 -9.972 -10.670 1.00 0.00 C ATOM 1061 O CYS A 72 -11.645 -10.878 -9.983 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.420 -8.700 -8.954 1.00 0.00 C ATOM 1063 SG CYS A 72 -12.204 -7.350 -8.823 1.00 0.00 S ATOM 0 H CYS A 72 -15.145 -10.363 -9.560 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.709 -8.603 -11.082 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.408 -8.309 -8.710 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.185 -9.460 -8.209 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.604 -7.416 -7.672 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.496 -9.470 -11.732 1.00 0.00 N ATOM 1069 CA LYS A 73 -10.193 -9.965 -12.160 1.00 0.00 C ATOM 1070 C LYS A 73 -9.151 -8.852 -12.128 1.00 0.00 C ATOM 1071 O LYS A 73 -8.287 -8.772 -13.002 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.286 -10.551 -13.571 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.801 -9.566 -14.606 1.00 0.00 C ATOM 1074 CD LYS A 73 -11.194 -10.266 -15.896 1.00 0.00 C ATOM 1075 CE LYS A 73 -12.061 -9.376 -16.772 1.00 0.00 C ATOM 1076 NZ LYS A 73 -12.374 -10.019 -18.079 1.00 0.00 N ATOM 0 H LYS A 73 -11.874 -8.721 -12.312 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.884 -10.748 -11.467 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.300 -10.902 -13.875 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.942 -11.421 -13.551 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.662 -9.032 -14.204 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.033 -8.821 -14.815 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.296 -10.553 -16.443 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.733 -11.185 -15.663 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.989 -9.145 -16.249 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.550 -8.429 -16.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.967 -9.380 -18.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.490 -10.216 -18.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.884 -10.910 -17.914 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.238 -7.995 -11.117 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.303 -6.886 -10.972 1.00 0.00 C ATOM 1092 C TYR A 74 -7.365 -7.114 -9.791 1.00 0.00 C ATOM 1093 O TYR A 74 -7.673 -7.881 -8.878 1.00 0.00 O ATOM 1094 CB TYR A 74 -9.063 -5.571 -10.787 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.803 -5.121 -12.026 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.699 -5.966 -12.670 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.607 -3.850 -12.553 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -11.377 -5.559 -13.803 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -10.282 -3.434 -13.685 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.165 -4.292 -14.306 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.839 -3.882 -15.434 1.00 0.00 O ATOM 0 H TYR A 74 -9.947 -8.047 -10.385 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.705 -6.828 -11.881 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.775 -5.684 -9.970 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.359 -4.793 -10.491 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.868 -6.958 -12.278 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.915 -3.176 -12.070 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.069 -6.229 -14.292 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.119 -2.443 -14.081 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.577 -2.964 -15.656 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.219 -6.443 -9.815 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.234 -6.571 -8.748 1.00 0.00 C ATOM 1113 C PHE A 75 -5.714 -5.874 -7.478 1.00 0.00 C ATOM 1114 O PHE A 75 -6.194 -4.741 -7.522 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.892 -5.984 -9.189 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.913 -5.813 -8.063 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.963 -4.693 -7.248 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -1.944 -6.772 -7.818 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -2.063 -4.533 -6.212 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.041 -6.618 -6.783 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.101 -5.497 -5.978 1.00 0.00 C ATOM 0 H PHE A 75 -5.949 -5.804 -10.563 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.105 -7.632 -8.533 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.452 -6.633 -9.947 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.065 -5.016 -9.659 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -3.714 -3.937 -7.425 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -1.893 -7.651 -8.443 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -2.111 -3.655 -5.585 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -0.290 -7.373 -6.604 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.398 -5.374 -5.168 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.582 -6.560 -6.347 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.002 -6.007 -5.064 1.00 0.00 C ATOM 1133 C HIS A 76 -4.793 -5.679 -4.192 1.00 0.00 C ATOM 1134 O HIS A 76 -4.100 -6.564 -3.692 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.918 -6.991 -4.336 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.333 -6.966 -4.825 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.405 -7.348 -4.047 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.850 -6.600 -6.021 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.520 -7.219 -4.743 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.211 -6.766 -5.945 1.00 0.00 N ATOM 0 H HIS A 76 -5.188 -7.499 -6.293 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.551 -5.085 -5.256 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.520 -7.999 -4.452 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.907 -6.765 -3.270 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.346 -7.679 -3.084 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.295 -6.244 -6.876 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.515 -7.445 -4.390 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.534 -4.376 -4.006 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.409 -3.901 -3.195 1.00 0.00 C ATOM 1150 C PRO A 77 -3.611 -4.173 -1.709 1.00 0.00 C ATOM 1151 O PRO A 77 -4.717 -4.457 -1.249 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.389 -2.394 -3.465 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.789 -2.059 -3.850 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.319 -3.266 -4.573 1.00 0.00 C ATOM 0 HA PRO A 77 -2.478 -4.407 -3.453 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.078 -1.838 -2.581 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.689 -2.144 -4.262 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.393 -1.835 -2.971 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.817 -1.177 -4.490 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.387 -3.400 -4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.177 -3.183 -5.651 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.517 -4.086 -0.937 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.549 -4.318 0.510 1.00 0.00 C ATOM 1164 C PRO A 78 -3.286 -3.213 1.259 1.00 0.00 C ATOM 1165 O PRO A 78 -3.778 -2.262 0.653 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.069 -4.333 0.900 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.393 -3.518 -0.148 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.166 -3.752 -1.417 1.00 0.00 C ATOM 0 HA PRO A 78 -3.080 -5.235 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.917 -3.908 1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.677 -5.350 0.925 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.392 -2.461 0.119 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.648 -3.818 -0.264 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.173 -2.866 -2.052 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.737 -4.563 -2.005 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.358 -3.346 2.580 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.032 -2.357 3.411 1.00 0.00 C ATOM 1178 C ALA A 79 -3.341 -1.001 3.322 1.00 0.00 C ATOM 1179 O ALA A 79 -3.920 -0.028 2.836 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.085 -2.830 4.856 1.00 0.00 C ATOM 0 H ALA A 79 -2.958 -4.129 3.097 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.050 -2.241 3.040 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.591 -2.081 5.466 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.631 -3.772 4.911 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.071 -2.976 5.228 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.100 -0.942 3.793 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.329 0.296 3.767 1.00 0.00 C ATOM 1188 C HIS A 80 -1.563 1.053 2.463 1.00 0.00 C ATOM 1189 O HIS A 80 -1.848 2.252 2.471 1.00 0.00 O ATOM 1190 CB HIS A 80 0.161 -0.002 3.936 1.00 0.00 C ATOM 1191 CG HIS A 80 0.701 -0.956 2.916 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.659 -2.325 3.070 1.00 0.00 N ATOM 1193 CD2 HIS A 80 1.296 -0.731 1.722 1.00 0.00 C ATOM 1194 CE1 HIS A 80 1.207 -2.902 2.015 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.601 -1.956 1.181 1.00 0.00 N ATOM 0 H HIS A 80 -1.606 -1.737 4.198 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.663 0.921 4.596 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.719 0.933 3.878 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.330 -0.413 4.931 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.494 0.233 1.277 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.314 -3.966 1.861 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.057 -2.110 0.282 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.440 0.348 1.344 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.638 0.953 0.032 1.00 0.00 C ATOM 1205 C LEU A 81 -3.088 1.386 -0.156 1.00 0.00 C ATOM 1206 O LEU A 81 -3.365 2.547 -0.453 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.240 -0.030 -1.070 1.00 0.00 C ATOM 1208 CG LEU A 81 0.235 -0.028 -1.472 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.544 -1.212 -2.374 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.598 1.279 -2.162 1.00 0.00 C ATOM 0 H LEU A 81 -1.204 -0.644 1.319 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.004 1.837 -0.032 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.506 -1.036 -0.745 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.837 0.187 -1.956 1.00 0.00 H new ATOM 0 HG LEU A 81 0.838 -0.119 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.598 -1.194 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.323 -2.139 -1.846 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.068 -1.153 -3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.652 1.263 -2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.013 1.400 -3.057 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.415 2.112 -1.483 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.009 0.444 0.023 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.431 0.729 -0.125 1.00 0.00 C ATOM 1224 C GLN A 82 -5.766 2.119 0.407 1.00 0.00 C ATOM 1225 O GLN A 82 -6.535 2.859 -0.205 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.263 -0.325 0.607 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.588 -1.543 -0.243 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.449 -2.553 0.490 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.663 -2.612 0.290 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.825 -3.354 1.345 1.00 0.00 N ATOM 0 H GLN A 82 -3.796 -0.522 0.271 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.673 0.699 -1.187 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.723 -0.647 1.497 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.194 0.130 0.946 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.102 -1.222 -1.149 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.660 -2.021 -0.556 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.817 -3.270 1.480 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.353 -4.053 1.867 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.184 2.465 1.550 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.420 3.767 2.163 1.00 0.00 C ATOM 1241 C ALA A 83 -4.994 4.897 1.233 1.00 0.00 C ATOM 1242 O ALA A 83 -5.795 5.765 0.885 1.00 0.00 O ATOM 1243 CB ALA A 83 -4.682 3.866 3.490 1.00 0.00 C ATOM 0 H ALA A 83 -4.546 1.863 2.070 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.490 3.867 2.346 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.867 4.843 3.937 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.037 3.086 4.163 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.612 3.740 3.322 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.726 4.883 0.834 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.193 5.906 -0.057 1.00 0.00 C ATOM 1251 C LYS A 84 -4.255 6.375 -1.046 1.00 0.00 C ATOM 1252 O LYS A 84 -4.385 7.570 -1.311 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.977 5.368 -0.815 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.654 5.655 -0.126 1.00 0.00 C ATOM 1255 CD LYS A 84 0.362 4.556 -0.390 1.00 0.00 C ATOM 1256 CE LYS A 84 0.845 4.579 -1.832 1.00 0.00 C ATOM 1257 NZ LYS A 84 2.233 4.057 -1.961 1.00 0.00 N ATOM 0 H LYS A 84 -3.049 4.174 1.114 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.888 6.758 0.551 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.085 4.291 -0.941 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.959 5.805 -1.813 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.259 6.609 -0.477 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.815 5.752 0.948 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.212 4.676 0.282 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.084 3.586 -0.170 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.174 3.982 -2.449 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.804 5.600 -2.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.297 3.444 -2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.895 4.853 -2.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.478 3.509 -1.112 1.00 0.00 H new ATOM 1271 N ILE A 85 -5.013 5.427 -1.587 1.00 0.00 N ATOM 1272 CA ILE A 85 -6.065 5.744 -2.544 1.00 0.00 C ATOM 1273 C ILE A 85 -7.318 6.248 -1.836 1.00 0.00 C ATOM 1274 O ILE A 85 -7.868 7.291 -2.191 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.432 4.520 -3.404 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -5.197 3.998 -4.140 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.533 4.877 -4.391 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.414 2.971 -3.354 1.00 0.00 C ATOM 0 H ILE A 85 -4.918 4.433 -1.379 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.676 6.529 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.801 3.731 -2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.508 3.558 -5.088 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.544 4.838 -4.377 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.781 4.002 -4.991 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.418 5.206 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.190 5.680 -5.044 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.553 2.646 -3.937 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -4.072 3.412 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.052 2.113 -3.140 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.764 5.502 -0.831 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.951 5.873 -0.070 1.00 0.00 C ATOM 1292 C LYS A 86 -8.894 7.340 0.346 1.00 0.00 C ATOM 1293 O LYS A 86 -9.881 8.065 0.234 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.085 4.986 1.170 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.647 3.606 0.872 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.217 2.955 2.121 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.127 2.303 2.957 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.519 2.192 4.390 1.00 0.00 N ATOM 0 H LYS A 86 -7.321 4.636 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.822 5.728 -0.709 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.106 4.878 1.637 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.730 5.483 1.894 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.426 3.685 0.114 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.862 2.974 0.457 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.736 3.704 2.719 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -10.956 2.206 1.837 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.911 1.311 2.562 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.209 2.886 2.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.750 1.743 4.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -9.701 3.141 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.380 1.615 4.471 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.731 7.769 0.825 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.545 9.150 1.253 1.00 0.00 C ATOM 1314 C ALA A 87 -8.080 10.126 0.211 1.00 0.00 C ATOM 1315 O ALA A 87 -8.801 11.067 0.540 1.00 0.00 O ATOM 1316 CB ALA A 87 -6.073 9.424 1.528 1.00 0.00 C ATOM 0 H ALA A 87 -6.904 7.181 0.926 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.110 9.297 2.174 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.949 10.459 1.847 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.720 8.757 2.315 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.495 9.252 0.620 1.00 0.00 H new