USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=18 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 -175:sc= 1.08 USER MOD Set 1.2: A 67 CYS SG : rot 160:sc= 0.0638 USER MOD Set 1.3: A 72 CYS SG : rot 125:sc= 0.675 USER MOD Set 1.4: A 76 HIS : no HE2:sc= -3.98 K(o=-2.2,f=-4.7!) USER MOD Set 2.1: A 62 TYR OH : rot 178:sc= -0.395 USER MOD Set 2.2: A 82 GLN : amide:sc= -4.66 X(o=-5.1,f=-4.9!) USER MOD Set 3.1: A 23 CYS SG : rot -163:sc= 0.539 USER MOD Set 3.2: A 31 CYS SG : rot 74:sc= 0.382 USER MOD Set 3.3: A 38 CYS SG : rot 146:sc= 0.164 USER MOD Set 3.4: A 42 HIS : no HD1:sc= -2.85 K(o=-1.8,f=0.3) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.182 X(o=-0.18,f=-0.29) USER MOD Single : A 30 ASN : amide:sc= -2.48 K(o=-2.5,f=-1.6) 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 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -3.13! C(o=-3.1!,f=-4.3!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0756 USER MOD Single : A 60 MET CE :methyl 150:sc= -0.0134 (180deg=-0.0155) 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= -13.3! C(o=-13!,f=-10!) USER MOD Single : A 84 LYS NZ :NH3+ -117:sc= -0.0261 (180deg=-1.54) USER MOD Single : A 86 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.105) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -6.427 6.879 -11.131 1.00 0.00 N ATOM 217 CA THR A 17 -6.521 6.665 -9.693 1.00 0.00 C ATOM 218 C THR A 17 -6.374 5.188 -9.345 1.00 0.00 C ATOM 219 O THR A 17 -5.754 4.835 -8.342 1.00 0.00 O ATOM 220 CB THR A 17 -7.861 7.181 -9.134 1.00 0.00 C ATOM 221 OG1 THR A 17 -7.913 6.975 -7.718 1.00 0.00 O ATOM 222 CG2 THR A 17 -9.032 6.473 -9.798 1.00 0.00 C ATOM 0 HA THR A 17 -5.705 7.226 -9.237 1.00 0.00 H new ATOM 0 HB THR A 17 -7.933 8.247 -9.348 1.00 0.00 H new ATOM 0 HG1 THR A 17 -8.767 7.307 -7.370 1.00 0.00 H new ATOM 0 HG21 THR A 17 -9.967 6.853 -9.388 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.006 6.656 -10.872 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.963 5.401 -9.611 1.00 0.00 H new ATOM 230 N ASP A 18 -6.946 4.329 -10.181 1.00 0.00 N ATOM 231 CA ASP A 18 -6.877 2.889 -9.964 1.00 0.00 C ATOM 232 C ASP A 18 -5.650 2.294 -10.648 1.00 0.00 C ATOM 233 O ASP A 18 -5.759 1.347 -11.428 1.00 0.00 O ATOM 234 CB ASP A 18 -8.145 2.211 -10.484 1.00 0.00 C ATOM 235 CG ASP A 18 -8.640 2.824 -11.779 1.00 0.00 C ATOM 236 OD1 ASP A 18 -7.833 2.948 -12.723 1.00 0.00 O ATOM 237 OD2 ASP A 18 -9.835 3.180 -11.848 1.00 0.00 O ATOM 0 H ASP A 18 -7.463 4.605 -11.016 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.794 2.712 -8.892 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.949 1.150 -10.639 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.928 2.283 -9.729 1.00 0.00 H new ATOM 242 N LYS A 19 -4.483 2.856 -10.353 1.00 0.00 N ATOM 243 CA LYS A 19 -3.235 2.382 -10.939 1.00 0.00 C ATOM 244 C LYS A 19 -2.114 2.380 -9.904 1.00 0.00 C ATOM 245 O LYS A 19 -2.000 3.302 -9.096 1.00 0.00 O ATOM 246 CB LYS A 19 -2.842 3.259 -12.130 1.00 0.00 C ATOM 247 CG LYS A 19 -2.861 4.746 -11.823 1.00 0.00 C ATOM 248 CD LYS A 19 -1.509 5.231 -11.325 1.00 0.00 C ATOM 249 CE LYS A 19 -0.625 5.691 -12.474 1.00 0.00 C ATOM 250 NZ LYS A 19 -0.949 7.080 -12.902 1.00 0.00 N ATOM 0 H LYS A 19 -4.375 3.641 -9.711 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.390 1.359 -11.283 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.843 2.978 -12.463 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.522 3.059 -12.958 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.139 5.300 -12.720 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.622 4.953 -11.071 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.652 6.052 -10.623 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -1.011 4.429 -10.780 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.421 5.639 -12.171 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.746 5.013 -13.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.325 7.356 -13.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.940 7.125 -13.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.809 7.731 -12.103 1.00 0.00 H new ATOM 264 N LEU A 20 -1.289 1.340 -9.935 1.00 0.00 N ATOM 265 CA LEU A 20 -0.175 1.218 -9.001 1.00 0.00 C ATOM 266 C LEU A 20 1.134 0.967 -9.743 1.00 0.00 C ATOM 267 O LEU A 20 1.152 0.307 -10.781 1.00 0.00 O ATOM 268 CB LEU A 20 -0.438 0.084 -8.008 1.00 0.00 C ATOM 269 CG LEU A 20 -1.171 0.472 -6.724 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.965 -0.708 -6.185 1.00 0.00 C ATOM 271 CD2 LEU A 20 -0.187 0.977 -5.679 1.00 0.00 C ATOM 0 H LEU A 20 -1.370 0.568 -10.597 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.087 2.157 -8.455 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.018 -0.688 -8.514 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.518 -0.363 -7.736 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.868 1.277 -6.956 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.480 -0.413 -5.271 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.697 -1.024 -6.928 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.288 -1.534 -5.969 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.727 1.248 -4.772 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.535 0.193 -5.451 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.337 1.852 -6.065 1.00 0.00 H new ATOM 283 N GLU A 21 2.226 1.497 -9.201 1.00 0.00 N ATOM 284 CA GLU A 21 3.540 1.328 -9.812 1.00 0.00 C ATOM 285 C GLU A 21 4.146 -0.021 -9.435 1.00 0.00 C ATOM 286 O GLU A 21 4.521 -0.245 -8.284 1.00 0.00 O ATOM 287 CB GLU A 21 4.476 2.459 -9.381 1.00 0.00 C ATOM 288 CG GLU A 21 4.337 3.717 -10.222 1.00 0.00 C ATOM 289 CD GLU A 21 4.817 4.959 -9.496 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.750 4.982 -8.250 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.258 5.909 -10.176 1.00 0.00 O ATOM 0 H GLU A 21 2.227 2.046 -8.341 1.00 0.00 H new ATOM 0 HA GLU A 21 3.416 1.361 -10.894 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.278 2.706 -8.338 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.506 2.107 -9.436 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.905 3.598 -11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.292 3.847 -10.505 1.00 0.00 H new ATOM 298 N VAL A 22 4.239 -0.916 -10.413 1.00 0.00 N ATOM 299 CA VAL A 22 4.800 -2.242 -10.185 1.00 0.00 C ATOM 300 C VAL A 22 6.275 -2.158 -9.810 1.00 0.00 C ATOM 301 O VAL A 22 7.073 -1.542 -10.518 1.00 0.00 O ATOM 302 CB VAL A 22 4.648 -3.137 -11.430 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.567 -4.345 -11.333 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.200 -3.570 -11.600 1.00 0.00 C ATOM 0 H VAL A 22 3.933 -0.747 -11.371 1.00 0.00 H new ATOM 0 HA VAL A 22 4.243 -2.684 -9.359 1.00 0.00 H new ATOM 0 HB VAL A 22 4.936 -2.561 -12.309 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.446 -4.966 -12.221 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.602 -4.010 -11.262 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.312 -4.926 -10.447 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.110 -4.201 -12.484 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.882 -4.130 -10.720 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.568 -2.689 -11.718 1.00 0.00 H new ATOM 314 N CYS A 23 6.632 -2.781 -8.692 1.00 0.00 N ATOM 315 CA CYS A 23 8.012 -2.777 -8.222 1.00 0.00 C ATOM 316 C CYS A 23 8.931 -3.470 -9.224 1.00 0.00 C ATOM 317 O CYS A 23 8.832 -4.678 -9.440 1.00 0.00 O ATOM 318 CB CYS A 23 8.110 -3.469 -6.860 1.00 0.00 C ATOM 319 SG CYS A 23 9.414 -2.799 -5.778 1.00 0.00 S ATOM 0 H CYS A 23 5.985 -3.295 -8.095 1.00 0.00 H new ATOM 0 HA CYS A 23 8.332 -1.740 -8.120 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.150 -3.383 -6.351 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.293 -4.532 -7.017 1.00 0.00 H new ATOM 0 HG CYS A 23 9.660 -3.643 -4.821 1.00 0.00 H new ATOM 324 N ARG A 24 9.824 -2.697 -9.833 1.00 0.00 N ATOM 325 CA ARG A 24 10.759 -3.236 -10.812 1.00 0.00 C ATOM 326 C ARG A 24 11.704 -4.244 -10.165 1.00 0.00 C ATOM 327 O ARG A 24 12.232 -5.132 -10.834 1.00 0.00 O ATOM 328 CB ARG A 24 11.566 -2.105 -11.454 1.00 0.00 C ATOM 329 CG ARG A 24 10.786 -1.313 -12.491 1.00 0.00 C ATOM 330 CD ARG A 24 10.065 -0.131 -11.863 1.00 0.00 C ATOM 331 NE ARG A 24 9.713 0.884 -12.852 1.00 0.00 N ATOM 332 CZ ARG A 24 10.599 1.691 -13.425 1.00 0.00 C ATOM 333 NH1 ARG A 24 11.884 1.601 -13.108 1.00 0.00 N ATOM 334 NH2 ARG A 24 10.201 2.589 -14.316 1.00 0.00 N ATOM 0 H ARG A 24 9.919 -1.695 -9.665 1.00 0.00 H new ATOM 0 HA ARG A 24 10.183 -3.747 -11.583 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.909 -1.426 -10.673 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.455 -2.526 -11.924 1.00 0.00 H new ATOM 0 HG2 ARG A 24 11.466 -0.956 -13.265 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.061 -1.965 -12.979 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.161 -0.481 -11.365 1.00 0.00 H new ATOM 0 HD3 ARG A 24 10.699 0.314 -11.096 1.00 0.00 H new ATOM 0 HE ARG A 24 8.733 0.979 -13.118 1.00 0.00 H new ATOM 0 HH11 ARG A 24 12.193 0.911 -12.423 1.00 0.00 H new ATOM 0 HH12 ARG A 24 12.563 2.222 -13.549 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.214 2.661 -14.562 1.00 0.00 H new ATOM 0 HH22 ARG A 24 10.882 3.208 -14.755 1.00 0.00 H new ATOM 348 N GLU A 25 11.911 -4.101 -8.860 1.00 0.00 N ATOM 349 CA GLU A 25 12.793 -4.999 -8.124 1.00 0.00 C ATOM 350 C GLU A 25 12.145 -6.368 -7.941 1.00 0.00 C ATOM 351 O GLU A 25 12.648 -7.376 -8.437 1.00 0.00 O ATOM 352 CB GLU A 25 13.142 -4.401 -6.759 1.00 0.00 C ATOM 353 CG GLU A 25 14.020 -3.164 -6.843 1.00 0.00 C ATOM 354 CD GLU A 25 15.192 -3.343 -7.788 1.00 0.00 C ATOM 355 OE1 GLU A 25 16.161 -4.032 -7.408 1.00 0.00 O ATOM 356 OE2 GLU A 25 15.139 -2.794 -8.909 1.00 0.00 O ATOM 0 H GLU A 25 11.480 -3.372 -8.291 1.00 0.00 H new ATOM 0 HA GLU A 25 13.708 -5.124 -8.703 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.220 -4.147 -6.237 1.00 0.00 H new ATOM 0 HB3 GLU A 25 13.650 -5.157 -6.160 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.418 -2.318 -7.173 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.394 -2.920 -5.849 1.00 0.00 H new ATOM 363 N PHE A 26 11.026 -6.396 -7.224 1.00 0.00 N ATOM 364 CA PHE A 26 10.309 -7.641 -6.974 1.00 0.00 C ATOM 365 C PHE A 26 10.364 -8.555 -8.194 1.00 0.00 C ATOM 366 O PHE A 26 10.610 -9.755 -8.072 1.00 0.00 O ATOM 367 CB PHE A 26 8.853 -7.350 -6.605 1.00 0.00 C ATOM 368 CG PHE A 26 7.924 -8.497 -6.883 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.295 -8.614 -8.112 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.679 -9.459 -5.916 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.439 -9.668 -8.372 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.826 -10.515 -6.170 1.00 0.00 C ATOM 373 CZ PHE A 26 6.204 -10.620 -7.399 1.00 0.00 C ATOM 0 H PHE A 26 10.596 -5.571 -6.806 1.00 0.00 H new ATOM 0 HA PHE A 26 10.793 -8.149 -6.140 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.798 -7.097 -5.546 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.514 -6.475 -7.160 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.476 -7.873 -8.876 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.161 -9.382 -4.952 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.955 -9.747 -9.334 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.645 -11.259 -5.408 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.536 -11.444 -7.599 1.00 0.00 H new ATOM 383 N GLN A 27 10.133 -7.978 -9.369 1.00 0.00 N ATOM 384 CA GLN A 27 10.155 -8.741 -10.611 1.00 0.00 C ATOM 385 C GLN A 27 11.407 -9.608 -10.696 1.00 0.00 C ATOM 386 O GLN A 27 11.320 -10.829 -10.829 1.00 0.00 O ATOM 387 CB GLN A 27 10.091 -7.799 -11.814 1.00 0.00 C ATOM 388 CG GLN A 27 8.861 -6.905 -11.823 1.00 0.00 C ATOM 389 CD GLN A 27 8.767 -6.053 -13.074 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.778 -5.579 -13.593 1.00 0.00 O ATOM 391 NE2 GLN A 27 7.550 -5.855 -13.564 1.00 0.00 N ATOM 0 H GLN A 27 9.929 -6.986 -9.487 1.00 0.00 H new ATOM 0 HA GLN A 27 9.282 -9.394 -10.622 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.984 -7.174 -11.823 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.106 -8.391 -12.729 1.00 0.00 H new ATOM 0 HG2 GLN A 27 7.967 -7.523 -11.741 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.882 -6.256 -10.947 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.740 -6.268 -13.101 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.424 -5.290 -14.404 1.00 0.00 H new ATOM 400 N ARG A 28 12.570 -8.970 -10.618 1.00 0.00 N ATOM 401 CA ARG A 28 13.839 -9.683 -10.687 1.00 0.00 C ATOM 402 C ARG A 28 14.241 -10.212 -9.313 1.00 0.00 C ATOM 403 O ARG A 28 15.394 -10.581 -9.091 1.00 0.00 O ATOM 404 CB ARG A 28 14.935 -8.765 -11.232 1.00 0.00 C ATOM 405 CG ARG A 28 15.250 -7.587 -10.325 1.00 0.00 C ATOM 406 CD ARG A 28 15.754 -6.392 -11.119 1.00 0.00 C ATOM 407 NE ARG A 28 17.039 -6.662 -11.758 1.00 0.00 N ATOM 408 CZ ARG A 28 17.473 -6.019 -12.836 1.00 0.00 C ATOM 409 NH1 ARG A 28 16.729 -5.073 -13.392 1.00 0.00 N ATOM 410 NH2 ARG A 28 18.654 -6.321 -13.360 1.00 0.00 N ATOM 0 H ARG A 28 12.659 -7.960 -10.507 1.00 0.00 H new ATOM 0 HA ARG A 28 13.715 -10.530 -11.362 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.843 -9.348 -11.384 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.630 -8.389 -12.209 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.356 -7.305 -9.769 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.001 -7.881 -9.592 1.00 0.00 H new ATOM 0 HD2 ARG A 28 15.020 -6.126 -11.880 1.00 0.00 H new ATOM 0 HD3 ARG A 28 15.852 -5.532 -10.457 1.00 0.00 H new ATOM 0 HE ARG A 28 17.636 -7.384 -11.354 1.00 0.00 H new ATOM 0 HH11 ARG A 28 15.821 -4.837 -12.992 1.00 0.00 H new ATOM 0 HH12 ARG A 28 17.065 -4.581 -14.220 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.230 -7.048 -12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 28 18.986 -5.826 -14.188 1.00 0.00 H new ATOM 424 N GLY A 29 13.281 -10.247 -8.394 1.00 0.00 N ATOM 425 CA GLY A 29 13.554 -10.732 -7.053 1.00 0.00 C ATOM 426 C GLY A 29 14.671 -9.962 -6.375 1.00 0.00 C ATOM 427 O GLY A 29 15.655 -10.549 -5.928 1.00 0.00 O ATOM 0 H GLY A 29 12.319 -9.948 -8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.648 -10.658 -6.451 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.820 -11.788 -7.099 1.00 0.00 H new ATOM 431 N ASN A 30 14.518 -8.644 -6.300 1.00 0.00 N ATOM 432 CA ASN A 30 15.523 -7.793 -5.673 1.00 0.00 C ATOM 433 C ASN A 30 14.926 -7.020 -4.500 1.00 0.00 C ATOM 434 O ASN A 30 15.625 -6.689 -3.542 1.00 0.00 O ATOM 435 CB ASN A 30 16.106 -6.818 -6.697 1.00 0.00 C ATOM 436 CG ASN A 30 17.399 -6.185 -6.222 1.00 0.00 C ATOM 437 OD1 ASN A 30 18.456 -6.380 -6.823 1.00 0.00 O ATOM 438 ND2 ASN A 30 17.321 -5.422 -5.138 1.00 0.00 N ATOM 0 H ASN A 30 13.708 -8.142 -6.665 1.00 0.00 H new ATOM 0 HA ASN A 30 16.321 -8.433 -5.295 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.285 -7.344 -7.634 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.377 -6.035 -6.905 1.00 0.00 H new ATOM 0 HD21 ASN A 30 18.158 -4.970 -4.771 1.00 0.00 H new ATOM 0 HD22 ASN A 30 16.424 -5.288 -4.672 1.00 0.00 H new ATOM 445 N CYS A 31 13.631 -6.737 -4.584 1.00 0.00 N ATOM 446 CA CYS A 31 12.939 -6.003 -3.531 1.00 0.00 C ATOM 447 C CYS A 31 13.137 -6.679 -2.177 1.00 0.00 C ATOM 448 O CYS A 31 13.114 -7.905 -2.075 1.00 0.00 O ATOM 449 CB CYS A 31 11.446 -5.901 -3.848 1.00 0.00 C ATOM 450 SG CYS A 31 10.551 -4.686 -2.828 1.00 0.00 S ATOM 0 H CYS A 31 13.039 -7.005 -5.370 1.00 0.00 H new ATOM 0 HA CYS A 31 13.363 -5.000 -3.483 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.326 -5.636 -4.899 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.989 -6.881 -3.712 1.00 0.00 H new ATOM 0 HG CYS A 31 10.853 -3.484 -3.220 1.00 0.00 H new ATOM 455 N ALA A 32 13.330 -5.870 -1.140 1.00 0.00 N ATOM 456 CA ALA A 32 13.529 -6.389 0.207 1.00 0.00 C ATOM 457 C ALA A 32 12.348 -6.046 1.108 1.00 0.00 C ATOM 458 O ALA A 32 12.132 -6.687 2.136 1.00 0.00 O ATOM 459 CB ALA A 32 14.822 -5.844 0.797 1.00 0.00 C ATOM 0 H ALA A 32 13.353 -4.852 -1.208 1.00 0.00 H new ATOM 0 HA ALA A 32 13.600 -7.475 0.144 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.958 -6.240 1.803 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.663 -6.145 0.172 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.773 -4.756 0.839 1.00 0.00 H new ATOM 465 N ARG A 33 11.586 -5.030 0.716 1.00 0.00 N ATOM 466 CA ARG A 33 10.428 -4.600 1.489 1.00 0.00 C ATOM 467 C ARG A 33 9.252 -5.550 1.281 1.00 0.00 C ATOM 468 O ARG A 33 8.305 -5.563 2.065 1.00 0.00 O ATOM 469 CB ARG A 33 10.024 -3.178 1.096 1.00 0.00 C ATOM 470 CG ARG A 33 10.942 -2.106 1.661 1.00 0.00 C ATOM 471 CD ARG A 33 10.648 -0.744 1.052 1.00 0.00 C ATOM 472 NE ARG A 33 11.510 0.299 1.603 1.00 0.00 N ATOM 473 CZ ARG A 33 11.319 1.597 1.393 1.00 0.00 C ATOM 474 NH1 ARG A 33 10.302 2.009 0.649 1.00 0.00 N ATOM 475 NH2 ARG A 33 12.146 2.485 1.928 1.00 0.00 N ATOM 0 H ARG A 33 11.750 -4.489 -0.133 1.00 0.00 H new ATOM 0 HA ARG A 33 10.702 -4.614 2.544 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.014 -3.100 0.009 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.006 -2.991 1.439 1.00 0.00 H new ATOM 0 HG2 ARG A 33 10.822 -2.056 2.743 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.980 -2.376 1.468 1.00 0.00 H new ATOM 0 HD2 ARG A 33 10.783 -0.793 -0.028 1.00 0.00 H new ATOM 0 HD3 ARG A 33 9.605 -0.484 1.231 1.00 0.00 H new ATOM 0 HE ARG A 33 12.302 0.015 2.180 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.664 1.329 0.236 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.158 3.006 0.489 1.00 0.00 H new ATOM 0 HH21 ARG A 33 12.929 2.172 2.501 1.00 0.00 H new ATOM 0 HH22 ARG A 33 11.999 3.481 1.766 1.00 0.00 H new ATOM 489 N GLY A 34 9.321 -6.344 0.216 1.00 0.00 N ATOM 490 CA GLY A 34 8.256 -7.286 -0.076 1.00 0.00 C ATOM 491 C GLY A 34 6.902 -6.614 -0.186 1.00 0.00 C ATOM 492 O GLY A 34 6.791 -5.399 -0.026 1.00 0.00 O ATOM 0 H GLY A 34 10.095 -6.352 -0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.478 -7.803 -1.009 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.220 -8.043 0.707 1.00 0.00 H new ATOM 496 N GLU A 35 5.870 -7.406 -0.462 1.00 0.00 N ATOM 497 CA GLU A 35 4.517 -6.879 -0.595 1.00 0.00 C ATOM 498 C GLU A 35 3.877 -6.671 0.774 1.00 0.00 C ATOM 499 O GLU A 35 2.660 -6.521 0.887 1.00 0.00 O ATOM 500 CB GLU A 35 3.657 -7.826 -1.434 1.00 0.00 C ATOM 501 CG GLU A 35 2.217 -7.366 -1.587 1.00 0.00 C ATOM 502 CD GLU A 35 1.541 -7.963 -2.806 1.00 0.00 C ATOM 503 OE1 GLU A 35 1.414 -9.203 -2.867 1.00 0.00 O ATOM 504 OE2 GLU A 35 1.138 -7.188 -3.699 1.00 0.00 O ATOM 0 H GLU A 35 5.945 -8.414 -0.598 1.00 0.00 H new ATOM 0 HA GLU A 35 4.578 -5.914 -1.098 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.104 -7.929 -2.423 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.667 -8.815 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.655 -7.640 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.192 -6.279 -1.658 1.00 0.00 H new ATOM 511 N THR A 36 4.706 -6.663 1.813 1.00 0.00 N ATOM 512 CA THR A 36 4.222 -6.475 3.175 1.00 0.00 C ATOM 513 C THR A 36 4.777 -5.193 3.785 1.00 0.00 C ATOM 514 O THR A 36 4.158 -4.594 4.664 1.00 0.00 O ATOM 515 CB THR A 36 4.604 -7.665 4.076 1.00 0.00 C ATOM 516 OG1 THR A 36 6.000 -7.952 3.942 1.00 0.00 O ATOM 517 CG2 THR A 36 3.791 -8.899 3.716 1.00 0.00 C ATOM 0 H THR A 36 5.716 -6.785 1.737 1.00 0.00 H new ATOM 0 HA THR A 36 3.136 -6.406 3.117 1.00 0.00 H new ATOM 0 HB THR A 36 4.386 -7.395 5.109 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.235 -8.708 4.519 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.078 -9.726 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.730 -8.687 3.847 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.982 -9.170 2.678 1.00 0.00 H new ATOM 525 N ASP A 37 5.946 -4.776 3.311 1.00 0.00 N ATOM 526 CA ASP A 37 6.584 -3.563 3.808 1.00 0.00 C ATOM 527 C ASP A 37 6.838 -2.578 2.671 1.00 0.00 C ATOM 528 O ASP A 37 7.231 -1.434 2.903 1.00 0.00 O ATOM 529 CB ASP A 37 7.900 -3.903 4.508 1.00 0.00 C ATOM 530 CG ASP A 37 8.486 -2.717 5.248 1.00 0.00 C ATOM 531 OD1 ASP A 37 7.925 -2.337 6.297 1.00 0.00 O ATOM 532 OD2 ASP A 37 9.505 -2.168 4.779 1.00 0.00 O ATOM 0 H ASP A 37 6.471 -5.260 2.583 1.00 0.00 H new ATOM 0 HA ASP A 37 5.910 -3.096 4.526 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.734 -4.720 5.210 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.619 -4.258 3.770 1.00 0.00 H new ATOM 537 N CYS A 38 6.612 -3.029 1.442 1.00 0.00 N ATOM 538 CA CYS A 38 6.818 -2.189 0.268 1.00 0.00 C ATOM 539 C CYS A 38 5.520 -1.499 -0.140 1.00 0.00 C ATOM 540 O CYS A 38 4.432 -2.048 0.032 1.00 0.00 O ATOM 541 CB CYS A 38 7.352 -3.026 -0.896 1.00 0.00 C ATOM 542 SG CYS A 38 8.108 -2.044 -2.231 1.00 0.00 S ATOM 0 H CYS A 38 6.286 -3.973 1.233 1.00 0.00 H new ATOM 0 HA CYS A 38 7.551 -1.424 0.523 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.091 -3.730 -0.514 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.534 -3.615 -1.311 1.00 0.00 H new ATOM 0 HG CYS A 38 9.093 -2.711 -2.756 1.00 0.00 H new ATOM 547 N ARG A 39 5.644 -0.292 -0.683 1.00 0.00 N ATOM 548 CA ARG A 39 4.481 0.474 -1.115 1.00 0.00 C ATOM 549 C ARG A 39 4.260 0.325 -2.618 1.00 0.00 C ATOM 550 O ARG A 39 3.604 1.157 -3.245 1.00 0.00 O ATOM 551 CB ARG A 39 4.656 1.952 -0.759 1.00 0.00 C ATOM 552 CG ARG A 39 5.901 2.581 -1.364 1.00 0.00 C ATOM 553 CD ARG A 39 6.121 3.992 -0.843 1.00 0.00 C ATOM 554 NE ARG A 39 7.110 4.720 -1.634 1.00 0.00 N ATOM 555 CZ ARG A 39 7.464 5.977 -1.392 1.00 0.00 C ATOM 556 NH1 ARG A 39 6.913 6.643 -0.387 1.00 0.00 N ATOM 557 NH2 ARG A 39 8.372 6.570 -2.157 1.00 0.00 N ATOM 0 H ARG A 39 6.538 0.176 -0.834 1.00 0.00 H new ATOM 0 HA ARG A 39 3.606 0.083 -0.595 1.00 0.00 H new ATOM 0 HB2 ARG A 39 3.779 2.505 -1.097 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.698 2.053 0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 39 6.770 1.966 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.808 2.603 -2.450 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.176 4.535 -0.856 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.449 3.948 0.196 1.00 0.00 H new ATOM 0 HE ARG A 39 7.553 4.236 -2.415 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.215 6.190 0.203 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.187 7.608 -0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.798 6.060 -2.931 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.644 7.535 -1.971 1.00 0.00 H new ATOM 571 N PHE A 40 4.812 -0.740 -3.189 1.00 0.00 N ATOM 572 CA PHE A 40 4.676 -0.998 -4.617 1.00 0.00 C ATOM 573 C PHE A 40 3.948 -2.316 -4.866 1.00 0.00 C ATOM 574 O PHE A 40 4.212 -3.318 -4.202 1.00 0.00 O ATOM 575 CB PHE A 40 6.053 -1.031 -5.284 1.00 0.00 C ATOM 576 CG PHE A 40 6.702 0.320 -5.385 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.133 1.321 -6.155 1.00 0.00 C ATOM 578 CD2 PHE A 40 7.882 0.588 -4.710 1.00 0.00 C ATOM 579 CE1 PHE A 40 6.727 2.566 -6.250 1.00 0.00 C ATOM 580 CE2 PHE A 40 8.481 1.831 -4.800 1.00 0.00 C ATOM 581 CZ PHE A 40 7.903 2.820 -5.572 1.00 0.00 C ATOM 0 H PHE A 40 5.358 -1.438 -2.684 1.00 0.00 H new ATOM 0 HA PHE A 40 4.087 -0.190 -5.051 1.00 0.00 H new ATOM 0 HB2 PHE A 40 6.705 -1.697 -4.720 1.00 0.00 H new ATOM 0 HB3 PHE A 40 5.954 -1.453 -6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.214 1.127 -6.688 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.339 -0.183 -4.107 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.272 3.338 -6.853 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.400 2.028 -4.267 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.370 3.791 -5.645 1.00 0.00 H new ATOM 591 N ALA A 41 3.029 -2.305 -5.826 1.00 0.00 N ATOM 592 CA ALA A 41 2.263 -3.499 -6.163 1.00 0.00 C ATOM 593 C ALA A 41 3.160 -4.576 -6.762 1.00 0.00 C ATOM 594 O ALA A 41 3.770 -4.378 -7.813 1.00 0.00 O ATOM 595 CB ALA A 41 1.139 -3.149 -7.128 1.00 0.00 C ATOM 0 H ALA A 41 2.797 -1.483 -6.384 1.00 0.00 H new ATOM 0 HA ALA A 41 1.830 -3.894 -5.244 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.575 -4.049 -7.371 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.475 -2.419 -6.664 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.561 -2.727 -8.040 1.00 0.00 H new ATOM 601 N HIS A 42 3.238 -5.718 -6.085 1.00 0.00 N ATOM 602 CA HIS A 42 4.062 -6.828 -6.551 1.00 0.00 C ATOM 603 C HIS A 42 3.212 -7.873 -7.267 1.00 0.00 C ATOM 604 O HIS A 42 2.540 -8.695 -6.643 1.00 0.00 O ATOM 605 CB HIS A 42 4.800 -7.471 -5.376 1.00 0.00 C ATOM 606 CG HIS A 42 5.842 -6.585 -4.765 1.00 0.00 C ATOM 607 ND1 HIS A 42 6.756 -7.030 -3.835 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.112 -5.273 -4.959 1.00 0.00 C ATOM 609 CE1 HIS A 42 7.543 -6.029 -3.481 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.173 -4.952 -4.149 1.00 0.00 N ATOM 0 H HIS A 42 2.741 -5.899 -5.213 1.00 0.00 H new ATOM 0 HA HIS A 42 4.793 -6.434 -7.258 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.075 -7.747 -4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.272 -8.393 -5.715 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.590 -4.603 -5.627 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.351 -6.083 -2.767 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.605 -4.031 -4.075 1.00 0.00 H new ATOM 618 N PRO A 43 3.240 -7.842 -8.607 1.00 0.00 N ATOM 619 CA PRO A 43 2.477 -8.780 -9.437 1.00 0.00 C ATOM 620 C PRO A 43 3.026 -10.200 -9.360 1.00 0.00 C ATOM 621 O PRO A 43 4.021 -10.527 -10.007 1.00 0.00 O ATOM 622 CB PRO A 43 2.642 -8.218 -10.851 1.00 0.00 C ATOM 623 CG PRO A 43 3.919 -7.453 -10.808 1.00 0.00 C ATOM 624 CD PRO A 43 4.018 -6.890 -9.417 1.00 0.00 C ATOM 0 HA PRO A 43 1.439 -8.859 -9.114 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.684 -9.016 -11.592 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.804 -7.575 -11.122 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.769 -8.099 -11.029 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.922 -6.657 -11.552 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.053 -6.829 -9.081 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.605 -5.883 -9.361 1.00 0.00 H new ATOM 696 N ILE A 49 0.273 -6.812 -16.231 1.00 0.00 N ATOM 697 CA ILE A 49 1.164 -5.659 -16.208 1.00 0.00 C ATOM 698 C ILE A 49 1.073 -4.869 -17.510 1.00 0.00 C ATOM 699 O ILE A 49 1.013 -5.446 -18.595 1.00 0.00 O ATOM 700 CB ILE A 49 2.627 -6.081 -15.978 1.00 0.00 C ATOM 701 CG1 ILE A 49 2.827 -6.537 -14.532 1.00 0.00 C ATOM 702 CG2 ILE A 49 3.568 -4.933 -16.313 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.235 -7.004 -14.235 1.00 0.00 C ATOM 0 HA ILE A 49 0.843 -5.029 -15.379 1.00 0.00 H new ATOM 0 HB ILE A 49 2.857 -6.918 -16.638 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.577 -5.714 -13.862 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.131 -7.347 -14.315 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.598 -5.246 -16.145 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.440 -4.651 -17.358 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.341 -4.078 -15.676 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.304 -7.312 -13.192 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.482 -7.847 -14.880 1.00 0.00 H new ATOM 0 HD13 ILE A 49 4.935 -6.189 -14.419 1.00 0.00 H new ATOM 715 N ASP A 50 1.065 -3.546 -17.393 1.00 0.00 N ATOM 716 CA ASP A 50 0.985 -2.675 -18.560 1.00 0.00 C ATOM 717 C ASP A 50 2.371 -2.421 -19.145 1.00 0.00 C ATOM 718 O ASP A 50 3.230 -1.822 -18.497 1.00 0.00 O ATOM 719 CB ASP A 50 0.323 -1.348 -18.189 1.00 0.00 C ATOM 720 CG ASP A 50 -1.185 -1.463 -18.080 1.00 0.00 C ATOM 721 OD1 ASP A 50 -1.669 -1.934 -17.029 1.00 0.00 O ATOM 722 OD2 ASP A 50 -1.880 -1.082 -19.044 1.00 0.00 O ATOM 0 H ASP A 50 1.113 -3.053 -16.501 1.00 0.00 H new ATOM 0 HA ASP A 50 0.378 -3.175 -19.315 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.727 -0.997 -17.240 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.574 -0.598 -18.939 1.00 0.00 H new ATOM 727 N THR A 51 2.583 -2.881 -20.374 1.00 0.00 N ATOM 728 CA THR A 51 3.865 -2.706 -21.045 1.00 0.00 C ATOM 729 C THR A 51 4.054 -1.264 -21.501 1.00 0.00 C ATOM 730 O THR A 51 5.062 -0.926 -22.122 1.00 0.00 O ATOM 731 CB THR A 51 3.993 -3.639 -22.264 1.00 0.00 C ATOM 732 OG1 THR A 51 2.925 -3.392 -23.184 1.00 0.00 O ATOM 733 CG2 THR A 51 3.972 -5.098 -21.833 1.00 0.00 C ATOM 0 H THR A 51 1.883 -3.378 -20.925 1.00 0.00 H new ATOM 0 HA THR A 51 4.639 -2.959 -20.320 1.00 0.00 H new ATOM 0 HB THR A 51 4.946 -3.435 -22.752 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.015 -3.988 -23.957 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.064 -5.738 -22.711 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.804 -5.289 -21.156 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.033 -5.313 -21.323 1.00 0.00 H new ATOM 741 N SER A 52 3.079 -0.416 -21.189 1.00 0.00 N ATOM 742 CA SER A 52 3.136 0.990 -21.570 1.00 0.00 C ATOM 743 C SER A 52 3.761 1.829 -20.459 1.00 0.00 C ATOM 744 O SER A 52 4.623 2.670 -20.711 1.00 0.00 O ATOM 745 CB SER A 52 1.734 1.511 -21.891 1.00 0.00 C ATOM 746 OG SER A 52 1.784 2.840 -22.380 1.00 0.00 O ATOM 0 H SER A 52 2.239 -0.679 -20.673 1.00 0.00 H new ATOM 0 HA SER A 52 3.759 1.075 -22.460 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.263 0.865 -22.632 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.114 1.473 -20.995 1.00 0.00 H new ATOM 0 HG SER A 52 0.876 3.150 -22.579 1.00 0.00 H new ATOM 752 N ASP A 53 3.318 1.593 -19.229 1.00 0.00 N ATOM 753 CA ASP A 53 3.832 2.325 -18.077 1.00 0.00 C ATOM 754 C ASP A 53 4.152 1.375 -16.928 1.00 0.00 C ATOM 755 O ASP A 53 4.179 1.778 -15.766 1.00 0.00 O ATOM 756 CB ASP A 53 2.820 3.376 -17.620 1.00 0.00 C ATOM 757 CG ASP A 53 2.943 4.674 -18.394 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.132 4.614 -19.627 1.00 0.00 O ATOM 759 OD2 ASP A 53 2.848 5.749 -17.767 1.00 0.00 O ATOM 0 H ASP A 53 2.604 0.900 -19.004 1.00 0.00 H new ATOM 0 HA ASP A 53 4.752 2.826 -18.377 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.811 2.980 -17.738 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.962 3.575 -16.558 1.00 0.00 H new ATOM 764 N ASN A 54 4.393 0.111 -17.261 1.00 0.00 N ATOM 765 CA ASN A 54 4.710 -0.898 -16.256 1.00 0.00 C ATOM 766 C ASN A 54 3.855 -0.708 -15.007 1.00 0.00 C ATOM 767 O ASN A 54 4.312 -0.935 -13.887 1.00 0.00 O ATOM 768 CB ASN A 54 6.193 -0.832 -15.887 1.00 0.00 C ATOM 769 CG ASN A 54 6.464 0.136 -14.752 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.439 1.352 -14.939 1.00 0.00 O ATOM 771 ND2 ASN A 54 6.726 -0.402 -13.566 1.00 0.00 N ATOM 0 H ASN A 54 4.375 -0.239 -18.219 1.00 0.00 H new ATOM 0 HA ASN A 54 4.491 -1.878 -16.679 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.539 -1.826 -15.603 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.769 -0.532 -16.762 1.00 0.00 H new ATOM 0 HD21 ASN A 54 6.917 0.199 -12.764 1.00 0.00 H new ATOM 0 HD22 ASN A 54 6.736 -1.416 -13.457 1.00 0.00 H new ATOM 778 N THR A 55 2.609 -0.290 -15.207 1.00 0.00 N ATOM 779 CA THR A 55 1.689 -0.069 -14.098 1.00 0.00 C ATOM 780 C THR A 55 0.555 -1.087 -14.113 1.00 0.00 C ATOM 781 O THR A 55 0.191 -1.611 -15.166 1.00 0.00 O ATOM 782 CB THR A 55 1.090 1.350 -14.139 1.00 0.00 C ATOM 783 OG1 THR A 55 0.727 1.690 -15.482 1.00 0.00 O ATOM 784 CG2 THR A 55 2.082 2.372 -13.603 1.00 0.00 C ATOM 0 H THR A 55 2.214 -0.098 -16.127 1.00 0.00 H new ATOM 0 HA THR A 55 2.266 -0.186 -13.181 1.00 0.00 H new ATOM 0 HB THR A 55 0.201 1.364 -13.508 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.346 2.593 -15.499 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.637 3.366 -13.642 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.335 2.128 -12.571 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.986 2.355 -14.212 1.00 0.00 H new ATOM 792 N VAL A 56 -0.001 -1.363 -12.937 1.00 0.00 N ATOM 793 CA VAL A 56 -1.096 -2.319 -12.815 1.00 0.00 C ATOM 794 C VAL A 56 -2.376 -1.631 -12.356 1.00 0.00 C ATOM 795 O VAL A 56 -2.342 -0.714 -11.534 1.00 0.00 O ATOM 796 CB VAL A 56 -0.748 -3.447 -11.826 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.381 -4.307 -12.373 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.381 -2.870 -10.468 1.00 0.00 C ATOM 0 H VAL A 56 0.289 -0.938 -12.056 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.253 -2.750 -13.804 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.626 -4.080 -11.700 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.613 -5.099 -11.661 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.075 -4.750 -13.321 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.265 -3.690 -12.530 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.138 -3.681 -9.782 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.482 -2.213 -10.573 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.224 -2.302 -10.074 1.00 0.00 H new ATOM 808 N THR A 57 -3.508 -2.080 -12.891 1.00 0.00 N ATOM 809 CA THR A 57 -4.801 -1.508 -12.536 1.00 0.00 C ATOM 810 C THR A 57 -5.198 -1.886 -11.114 1.00 0.00 C ATOM 811 O THR A 57 -4.733 -2.890 -10.575 1.00 0.00 O ATOM 812 CB THR A 57 -5.905 -1.971 -13.505 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.602 -3.279 -14.003 1.00 0.00 O ATOM 814 CG2 THR A 57 -6.046 -1.001 -14.668 1.00 0.00 C ATOM 0 H THR A 57 -3.555 -2.838 -13.572 1.00 0.00 H new ATOM 0 HA THR A 57 -4.697 -0.425 -12.605 1.00 0.00 H new ATOM 0 HB THR A 57 -6.848 -1.999 -12.960 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.309 -3.567 -14.617 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.832 -1.349 -15.339 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.305 -0.013 -14.288 1.00 0.00 H new ATOM 0 HG23 THR A 57 -5.103 -0.945 -15.212 1.00 0.00 H new ATOM 822 N VAL A 58 -6.061 -1.075 -10.510 1.00 0.00 N ATOM 823 CA VAL A 58 -6.522 -1.326 -9.150 1.00 0.00 C ATOM 824 C VAL A 58 -8.040 -1.467 -9.102 1.00 0.00 C ATOM 825 O VAL A 58 -8.767 -0.687 -9.717 1.00 0.00 O ATOM 826 CB VAL A 58 -6.092 -0.197 -8.194 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.778 -0.348 -6.845 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.579 -0.184 -8.034 1.00 0.00 C ATOM 0 H VAL A 58 -6.455 -0.239 -10.941 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.062 -2.260 -8.827 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.398 0.757 -8.624 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.462 0.459 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.859 -0.304 -6.979 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.506 -1.307 -6.404 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.292 0.619 -7.356 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.248 -1.139 -7.626 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.112 -0.023 -9.006 1.00 0.00 H new ATOM 838 N CYS A 59 -8.512 -2.467 -8.365 1.00 0.00 N ATOM 839 CA CYS A 59 -9.943 -2.711 -8.235 1.00 0.00 C ATOM 840 C CYS A 59 -10.597 -1.655 -7.348 1.00 0.00 C ATOM 841 O CYS A 59 -10.471 -1.693 -6.125 1.00 0.00 O ATOM 842 CB CYS A 59 -10.193 -4.105 -7.655 1.00 0.00 C ATOM 843 SG CYS A 59 -11.953 -4.566 -7.560 1.00 0.00 S ATOM 0 H CYS A 59 -7.924 -3.121 -7.849 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.388 -2.652 -9.228 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.668 -4.840 -8.265 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.761 -4.154 -6.655 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.069 -5.713 -6.959 1.00 0.00 H new ATOM 848 N MET A 60 -11.296 -0.715 -7.975 1.00 0.00 N ATOM 849 CA MET A 60 -11.972 0.351 -7.243 1.00 0.00 C ATOM 850 C MET A 60 -12.817 -0.220 -6.109 1.00 0.00 C ATOM 851 O MET A 60 -12.625 0.126 -4.944 1.00 0.00 O ATOM 852 CB MET A 60 -12.852 1.170 -8.189 1.00 0.00 C ATOM 853 CG MET A 60 -13.106 2.588 -7.706 1.00 0.00 C ATOM 854 SD MET A 60 -11.864 3.756 -8.293 1.00 0.00 S ATOM 855 CE MET A 60 -10.970 4.089 -6.777 1.00 0.00 C ATOM 0 H MET A 60 -11.410 -0.669 -8.988 1.00 0.00 H new ATOM 0 HA MET A 60 -11.211 1.002 -6.813 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.379 1.208 -9.170 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.808 0.661 -8.315 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.091 2.911 -8.043 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.123 2.599 -6.616 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.931 4.322 -7.011 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.425 4.937 -6.265 1.00 0.00 H new ATOM 0 HE3 MET A 60 -11.009 3.212 -6.132 1.00 0.00 H new ATOM 865 N ASP A 61 -13.753 -1.096 -6.459 1.00 0.00 N ATOM 866 CA ASP A 61 -14.628 -1.715 -5.470 1.00 0.00 C ATOM 867 C ASP A 61 -13.823 -2.241 -4.286 1.00 0.00 C ATOM 868 O ASP A 61 -14.008 -1.801 -3.151 1.00 0.00 O ATOM 869 CB ASP A 61 -15.427 -2.854 -6.106 1.00 0.00 C ATOM 870 CG ASP A 61 -16.780 -3.048 -5.451 1.00 0.00 C ATOM 871 OD1 ASP A 61 -17.250 -2.112 -4.771 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.370 -4.136 -5.619 1.00 0.00 O ATOM 0 H ASP A 61 -13.925 -1.393 -7.419 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.320 -0.955 -5.107 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.567 -2.648 -7.167 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.856 -3.779 -6.034 1.00 0.00 H new ATOM 877 N TYR A 62 -12.930 -3.187 -4.558 1.00 0.00 N ATOM 878 CA TYR A 62 -12.099 -3.776 -3.514 1.00 0.00 C ATOM 879 C TYR A 62 -11.657 -2.718 -2.508 1.00 0.00 C ATOM 880 O TYR A 62 -11.807 -2.895 -1.298 1.00 0.00 O ATOM 881 CB TYR A 62 -10.873 -4.452 -4.131 1.00 0.00 C ATOM 882 CG TYR A 62 -9.867 -4.930 -3.108 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.227 -5.842 -2.124 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.556 -4.470 -3.128 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.311 -6.280 -1.187 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.633 -4.904 -2.196 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.015 -5.809 -1.228 1.00 0.00 C ATOM 888 OH TYR A 62 -7.100 -6.244 -0.297 1.00 0.00 O ATOM 0 H TYR A 62 -12.763 -3.562 -5.492 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.694 -4.524 -2.990 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.200 -5.301 -4.731 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.385 -3.752 -4.809 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.240 -6.215 -2.091 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.253 -3.761 -3.885 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.608 -6.987 -0.427 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.618 -4.537 -2.225 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.226 -5.842 -0.485 1.00 0.00 H new ATOM 898 N ILE A 63 -11.112 -1.618 -3.016 1.00 0.00 N ATOM 899 CA ILE A 63 -10.650 -0.530 -2.162 1.00 0.00 C ATOM 900 C ILE A 63 -11.695 -0.175 -1.110 1.00 0.00 C ATOM 901 O ILE A 63 -11.373 0.011 0.063 1.00 0.00 O ATOM 902 CB ILE A 63 -10.318 0.729 -2.985 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.196 0.431 -3.982 1.00 0.00 C ATOM 904 CG2 ILE A 63 -9.926 1.875 -2.064 1.00 0.00 C ATOM 905 CD1 ILE A 63 -7.968 -0.181 -3.345 1.00 0.00 C ATOM 0 H ILE A 63 -10.979 -1.456 -4.014 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.744 -0.880 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.206 1.025 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.573 -0.246 -4.749 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.912 1.356 -4.484 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.694 2.758 -2.660 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.753 2.099 -1.390 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.050 1.590 -1.481 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.214 -0.365 -4.111 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.566 0.503 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.237 -1.123 -2.867 1.00 0.00 H new ATOM 917 N LYS A 64 -12.950 -0.085 -1.538 1.00 0.00 N ATOM 918 CA LYS A 64 -14.045 0.245 -0.633 1.00 0.00 C ATOM 919 C LYS A 64 -14.172 -0.801 0.471 1.00 0.00 C ATOM 920 O LYS A 64 -14.655 -0.508 1.564 1.00 0.00 O ATOM 921 CB LYS A 64 -15.361 0.346 -1.408 1.00 0.00 C ATOM 922 CG LYS A 64 -15.498 1.629 -2.208 1.00 0.00 C ATOM 923 CD LYS A 64 -16.926 1.842 -2.682 1.00 0.00 C ATOM 924 CE LYS A 64 -17.163 1.201 -4.041 1.00 0.00 C ATOM 925 NZ LYS A 64 -18.609 1.175 -4.397 1.00 0.00 N ATOM 0 H LYS A 64 -13.234 -0.236 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.826 1.209 -0.173 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.441 -0.505 -2.085 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.192 0.274 -0.707 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.187 2.475 -1.596 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.830 1.595 -3.068 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.619 1.421 -1.954 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.136 2.910 -2.741 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -16.611 1.751 -4.803 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.772 0.184 -4.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.729 0.731 -5.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.132 0.629 -3.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.977 2.147 -4.427 1.00 0.00 H new ATOM 939 N GLY A 65 -13.734 -2.021 0.177 1.00 0.00 N ATOM 940 CA GLY A 65 -13.807 -3.091 1.156 1.00 0.00 C ATOM 941 C GLY A 65 -14.628 -4.268 0.669 1.00 0.00 C ATOM 942 O GLY A 65 -14.503 -5.378 1.186 1.00 0.00 O ATOM 0 H GLY A 65 -13.330 -2.288 -0.721 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.799 -3.430 1.395 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.241 -2.706 2.079 1.00 0.00 H new ATOM 946 N ARG A 66 -15.473 -4.025 -0.329 1.00 0.00 N ATOM 947 CA ARG A 66 -16.320 -5.074 -0.884 1.00 0.00 C ATOM 948 C ARG A 66 -16.175 -5.144 -2.401 1.00 0.00 C ATOM 949 O ARG A 66 -16.665 -4.275 -3.123 1.00 0.00 O ATOM 950 CB ARG A 66 -17.783 -4.826 -0.512 1.00 0.00 C ATOM 951 CG ARG A 66 -18.679 -6.036 -0.725 1.00 0.00 C ATOM 952 CD ARG A 66 -18.700 -6.937 0.500 1.00 0.00 C ATOM 953 NE ARG A 66 -19.552 -6.402 1.558 1.00 0.00 N ATOM 954 CZ ARG A 66 -19.816 -7.051 2.687 1.00 0.00 C ATOM 955 NH1 ARG A 66 -19.297 -8.251 2.903 1.00 0.00 N ATOM 956 NH2 ARG A 66 -20.602 -6.498 3.603 1.00 0.00 N ATOM 0 H ARG A 66 -15.589 -3.112 -0.769 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.000 -6.027 -0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -17.837 -4.524 0.534 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.164 -3.994 -1.104 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -19.692 -5.704 -0.951 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -18.329 -6.602 -1.588 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -19.054 -7.928 0.215 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -17.685 -7.058 0.878 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.967 -5.480 1.423 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -18.693 -8.679 2.202 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.502 -8.746 3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.003 -5.575 3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.804 -6.997 4.470 1.00 0.00 H new ATOM 970 N CYS A 67 -15.498 -6.184 -2.878 1.00 0.00 N ATOM 971 CA CYS A 67 -15.287 -6.368 -4.309 1.00 0.00 C ATOM 972 C CYS A 67 -16.293 -7.360 -4.884 1.00 0.00 C ATOM 973 O CYS A 67 -16.324 -8.526 -4.492 1.00 0.00 O ATOM 974 CB CYS A 67 -13.862 -6.857 -4.576 1.00 0.00 C ATOM 975 SG CYS A 67 -13.658 -7.717 -6.169 1.00 0.00 S ATOM 0 H CYS A 67 -15.086 -6.912 -2.294 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.432 -5.405 -4.799 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.185 -6.003 -4.547 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.563 -7.529 -3.771 1.00 0.00 H new ATOM 0 HG CYS A 67 -12.402 -7.720 -6.503 1.00 0.00 H new ATOM 980 N MET A 68 -17.115 -6.889 -5.816 1.00 0.00 N ATOM 981 CA MET A 68 -18.121 -7.735 -6.446 1.00 0.00 C ATOM 982 C MET A 68 -17.940 -7.760 -7.961 1.00 0.00 C ATOM 983 O MET A 68 -18.381 -8.692 -8.633 1.00 0.00 O ATOM 984 CB MET A 68 -19.526 -7.239 -6.097 1.00 0.00 C ATOM 985 CG MET A 68 -19.941 -7.546 -4.668 1.00 0.00 C ATOM 986 SD MET A 68 -20.093 -9.315 -4.353 1.00 0.00 S ATOM 987 CE MET A 68 -20.469 -9.316 -2.602 1.00 0.00 C ATOM 0 H MET A 68 -17.104 -5.926 -6.151 1.00 0.00 H new ATOM 0 HA MET A 68 -17.996 -8.749 -6.066 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.572 -6.162 -6.257 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.243 -7.694 -6.781 1.00 0.00 H new ATOM 0 HG2 MET A 68 -19.209 -7.120 -3.982 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.894 -7.060 -4.458 1.00 0.00 H new ATOM 0 HE1 MET A 68 -20.592 -10.343 -2.257 1.00 0.00 H new ATOM 0 HE2 MET A 68 -19.653 -8.844 -2.054 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.391 -8.762 -2.428 1.00 0.00 H new ATOM 997 N ARG A 69 -17.289 -6.729 -8.491 1.00 0.00 N ATOM 998 CA ARG A 69 -17.051 -6.633 -9.926 1.00 0.00 C ATOM 999 C ARG A 69 -16.874 -8.018 -10.542 1.00 0.00 C ATOM 1000 O ARG A 69 -15.801 -8.613 -10.455 1.00 0.00 O ATOM 1001 CB ARG A 69 -15.813 -5.778 -10.203 1.00 0.00 C ATOM 1002 CG ARG A 69 -15.960 -4.865 -11.409 1.00 0.00 C ATOM 1003 CD ARG A 69 -14.609 -4.518 -12.014 1.00 0.00 C ATOM 1004 NE ARG A 69 -13.993 -3.369 -11.355 1.00 0.00 N ATOM 1005 CZ ARG A 69 -14.411 -2.119 -11.516 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -15.441 -1.857 -12.309 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -13.799 -1.127 -10.882 1.00 0.00 N ATOM 0 H ARG A 69 -16.917 -5.949 -7.948 1.00 0.00 H new ATOM 0 HA ARG A 69 -17.921 -6.160 -10.382 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.597 -5.172 -9.323 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -14.956 -6.434 -10.357 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -16.582 -5.351 -12.161 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.473 -3.950 -11.113 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -13.945 -5.379 -11.937 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.731 -4.304 -13.076 1.00 0.00 H new ATOM 0 HE ARG A 69 -13.198 -3.536 -10.738 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.915 -2.617 -12.798 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -15.760 -0.896 -12.430 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -13.007 -1.324 -10.270 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.121 -0.167 -11.006 1.00 0.00 H new ATOM 1021 N GLU A 70 -17.935 -8.523 -11.163 1.00 0.00 N ATOM 1022 CA GLU A 70 -17.897 -9.839 -11.792 1.00 0.00 C ATOM 1023 C GLU A 70 -16.538 -10.093 -12.438 1.00 0.00 C ATOM 1024 O GLU A 70 -15.891 -9.171 -12.936 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.003 -9.959 -12.842 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.301 -10.530 -12.296 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.441 -10.443 -13.292 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -21.707 -9.329 -13.792 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -22.068 -11.486 -13.570 1.00 0.00 O ATOM 0 H GLU A 70 -18.831 -8.042 -11.244 1.00 0.00 H new ATOM 0 HA GLU A 70 -18.059 -10.589 -11.018 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -19.199 -8.974 -13.265 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.652 -10.592 -13.657 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -20.146 -11.572 -12.017 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.576 -9.994 -11.387 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.110 -11.351 -12.425 1.00 0.00 N ATOM 1037 CA LYS A 71 -14.829 -11.730 -13.009 1.00 0.00 C ATOM 1038 C LYS A 71 -13.794 -10.626 -12.815 1.00 0.00 C ATOM 1039 O LYS A 71 -13.019 -10.321 -13.722 1.00 0.00 O ATOM 1040 CB LYS A 71 -14.994 -12.032 -14.501 1.00 0.00 C ATOM 1041 CG LYS A 71 -15.913 -13.207 -14.785 1.00 0.00 C ATOM 1042 CD LYS A 71 -16.416 -13.188 -16.219 1.00 0.00 C ATOM 1043 CE LYS A 71 -17.574 -12.217 -16.390 1.00 0.00 C ATOM 1044 NZ LYS A 71 -18.166 -12.296 -17.754 1.00 0.00 N ATOM 0 H LYS A 71 -16.632 -12.126 -12.016 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.478 -12.627 -12.499 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -15.385 -11.146 -15.001 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.014 -12.235 -14.933 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.381 -14.140 -14.597 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.761 -13.181 -14.101 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.602 -12.907 -16.888 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.734 -14.190 -16.508 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.342 -12.433 -15.647 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.227 -11.201 -16.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -18.952 -11.619 -17.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.440 -12.065 -18.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -18.520 -13.259 -17.923 1.00 0.00 H new ATOM 1058 N CYS A 72 -13.787 -10.031 -11.627 1.00 0.00 N ATOM 1059 CA CYS A 72 -12.847 -8.961 -11.313 1.00 0.00 C ATOM 1060 C CYS A 72 -11.420 -9.370 -11.666 1.00 0.00 C ATOM 1061 O CYS A 72 -10.800 -10.170 -10.966 1.00 0.00 O ATOM 1062 CB CYS A 72 -12.933 -8.598 -9.829 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.425 -7.821 -9.166 1.00 0.00 S ATOM 0 H CYS A 72 -14.422 -10.272 -10.866 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.114 -8.089 -11.910 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.774 -7.921 -9.680 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.146 -9.501 -9.257 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.728 -6.679 -8.625 1.00 0.00 H new ATOM 1068 N LYS A 73 -10.904 -8.814 -12.757 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.550 -9.118 -13.205 1.00 0.00 C ATOM 1070 C LYS A 73 -8.592 -7.988 -12.843 1.00 0.00 C ATOM 1071 O LYS A 73 -7.690 -7.655 -13.613 1.00 0.00 O ATOM 1072 CB LYS A 73 -9.531 -9.353 -14.716 1.00 0.00 C ATOM 1073 CG LYS A 73 -9.826 -8.105 -15.530 1.00 0.00 C ATOM 1074 CD LYS A 73 -10.480 -8.447 -16.858 1.00 0.00 C ATOM 1075 CE LYS A 73 -10.870 -7.193 -17.627 1.00 0.00 C ATOM 1076 NZ LYS A 73 -11.952 -7.462 -18.614 1.00 0.00 N ATOM 0 H LYS A 73 -11.404 -8.150 -13.348 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.222 -10.026 -12.699 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.553 -9.741 -15.003 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.264 -10.121 -14.965 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -10.480 -7.444 -14.961 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -8.900 -7.559 -15.709 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.795 -9.045 -17.459 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.366 -9.057 -16.682 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.200 -6.425 -16.927 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -9.996 -6.798 -18.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -12.189 -6.583 -19.117 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -11.629 -8.176 -19.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.795 -7.815 -18.117 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.791 -7.402 -11.668 1.00 0.00 N ATOM 1091 CA TYR A 74 -7.945 -6.308 -11.205 1.00 0.00 C ATOM 1092 C TYR A 74 -7.069 -6.754 -10.038 1.00 0.00 C ATOM 1093 O TYR A 74 -7.365 -7.742 -9.366 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.803 -5.114 -10.785 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.348 -4.320 -11.952 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.236 -4.895 -12.853 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -8.975 -2.997 -12.152 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -10.736 -4.174 -13.921 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -9.470 -2.269 -13.216 1.00 0.00 C ATOM 1100 CZ TYR A 74 -10.350 -2.861 -14.097 1.00 0.00 C ATOM 1101 OH TYR A 74 -10.846 -2.139 -15.159 1.00 0.00 O ATOM 0 H TYR A 74 -9.531 -7.666 -11.018 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.298 -6.009 -12.029 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.636 -5.471 -10.179 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.208 -4.454 -10.153 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.540 -5.922 -12.717 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.286 -2.530 -11.464 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -11.425 -4.635 -14.613 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.169 -1.241 -13.357 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.476 -1.232 -15.139 1.00 0.00 H new ATOM 1111 N PHE A 75 -5.988 -6.018 -9.804 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.067 -6.336 -8.719 1.00 0.00 C ATOM 1113 C PHE A 75 -5.584 -5.794 -7.390 1.00 0.00 C ATOM 1114 O PHE A 75 -6.111 -4.683 -7.322 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.680 -5.758 -9.013 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.741 -5.828 -7.843 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.031 -6.988 -7.576 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.570 -4.735 -7.009 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.166 -7.056 -6.500 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.706 -4.797 -5.932 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.004 -5.959 -5.677 1.00 0.00 C ATOM 0 H PHE A 75 -5.728 -5.197 -10.351 1.00 0.00 H new ATOM 0 HA PHE A 75 -4.993 -7.421 -8.645 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.242 -6.296 -9.853 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.787 -4.718 -9.321 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.155 -7.849 -8.216 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.118 -3.825 -7.203 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.618 -7.965 -6.303 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.580 -3.938 -5.290 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.329 -6.010 -4.835 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.431 -6.587 -6.334 1.00 0.00 N ATOM 1132 CA HIS A 76 -5.883 -6.189 -5.006 1.00 0.00 C ATOM 1133 C HIS A 76 -4.696 -5.874 -4.100 1.00 0.00 C ATOM 1134 O HIS A 76 -4.063 -6.765 -3.533 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.737 -7.292 -4.382 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.159 -7.288 -4.853 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.198 -7.813 -4.114 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.712 -6.817 -5.995 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.328 -7.666 -4.782 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.061 -7.065 -5.927 1.00 0.00 N ATOM 0 H HIS A 76 -4.997 -7.509 -6.373 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.488 -5.288 -5.110 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.290 -8.259 -4.611 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.722 -7.182 -3.298 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.108 -8.247 -3.195 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.190 -6.336 -6.808 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.305 -7.984 -4.448 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.385 -4.577 -3.961 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.272 -4.115 -3.125 1.00 0.00 C ATOM 1150 C PRO A 77 -3.544 -4.311 -1.638 1.00 0.00 C ATOM 1151 O PRO A 77 -4.672 -4.569 -1.217 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.173 -2.624 -3.459 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.540 -2.247 -3.916 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.096 -3.461 -4.607 1.00 0.00 C ATOM 0 HA PRO A 77 -2.356 -4.672 -3.322 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -2.872 -2.042 -2.588 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.431 -2.441 -4.236 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.167 -1.957 -3.073 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.503 -1.395 -4.594 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.175 -3.541 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -4.909 -3.433 -5.681 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.488 -4.185 -0.821 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.588 -4.343 0.633 1.00 0.00 C ATOM 1164 C PRO A 78 -3.356 -3.200 1.289 1.00 0.00 C ATOM 1165 O PRO A 78 -3.821 -2.284 0.612 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.128 -4.339 1.092 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.401 -3.580 0.036 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.114 -3.878 -1.254 1.00 0.00 C ATOM 0 HA PRO A 78 -3.133 -5.246 0.908 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.021 -3.863 2.067 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.741 -5.353 1.188 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.409 -2.511 0.248 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.644 -3.887 -0.016 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.088 -3.026 -1.934 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.661 -4.719 -1.779 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.484 -3.261 2.610 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.193 -2.230 3.357 1.00 0.00 C ATOM 1178 C ALA A 79 -3.476 -0.887 3.255 1.00 0.00 C ATOM 1179 O ALA A 79 -3.977 0.050 2.634 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.341 -2.642 4.815 1.00 0.00 C ATOM 0 H ALA A 79 -3.106 -4.014 3.185 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.185 -2.117 2.920 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.872 -1.863 5.361 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.903 -3.574 4.874 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.354 -2.785 5.255 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.301 -0.801 3.871 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.515 0.428 3.849 1.00 0.00 C ATOM 1188 C HIS A 80 -1.672 1.149 2.514 1.00 0.00 C ATOM 1189 O HIS A 80 -1.947 2.349 2.473 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.040 0.119 4.105 1.00 0.00 C ATOM 1191 CG HIS A 80 0.549 -0.847 3.124 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.419 -2.215 3.244 1.00 0.00 N ATOM 1193 CD2 HIS A 80 1.273 -0.637 2.000 1.00 0.00 C ATOM 1194 CE1 HIS A 80 1.039 -2.804 2.237 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.566 -1.868 1.467 1.00 0.00 N ATOM 0 H HIS A 80 -1.873 -1.567 4.391 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.884 1.081 4.640 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.528 1.049 4.073 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.068 -0.286 5.111 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.566 0.321 1.597 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.104 -3.869 2.071 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.103 -2.033 0.616 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.495 0.411 1.424 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.616 0.981 0.086 1.00 0.00 C ATOM 1205 C LEU A 81 -3.066 1.338 -0.224 1.00 0.00 C ATOM 1206 O LEU A 81 -3.375 2.482 -0.557 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.087 -0.004 -0.959 1.00 0.00 C ATOM 1208 CG LEU A 81 0.422 0.028 -1.207 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.847 -1.155 -2.062 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.826 1.338 -1.868 1.00 0.00 C ATOM 0 H LEU A 81 -1.267 -0.583 1.440 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.021 1.893 0.051 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.363 -1.013 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.595 0.192 -1.904 1.00 0.00 H new ATOM 0 HG LEU A 81 0.931 -0.043 -0.246 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.924 -1.116 -2.228 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.592 -2.083 -1.551 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.330 -1.115 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.903 1.343 -2.037 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.308 1.439 -2.822 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.556 2.171 -1.219 1.00 0.00 H new ATOM 1222 N GLN A 82 -3.951 0.352 -0.112 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.368 0.564 -0.379 1.00 0.00 C ATOM 1224 C GLN A 82 -5.819 1.931 0.124 1.00 0.00 C ATOM 1225 O GLN A 82 -6.699 2.560 -0.463 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.203 -0.535 0.281 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.468 -1.726 -0.627 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.543 -2.646 -0.084 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.736 -2.394 -0.254 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -7.125 -3.721 0.574 1.00 0.00 N ATOM 0 H GLN A 82 -3.711 -0.601 0.162 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.517 0.527 -1.458 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.690 -0.880 1.179 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.156 -0.113 0.601 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -6.766 -1.368 -1.612 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.545 -2.290 -0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.126 -3.891 0.691 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.803 -4.377 0.962 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.209 2.386 1.214 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.546 3.679 1.795 1.00 0.00 C ATOM 1241 C ALA A 83 -4.955 4.821 0.974 1.00 0.00 C ATOM 1242 O ALA A 83 -5.670 5.723 0.539 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.060 3.755 3.234 1.00 0.00 C ATOM 0 H ALA A 83 -4.479 1.877 1.712 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.631 3.782 1.784 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.319 4.727 3.655 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.534 2.968 3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -3.978 3.625 3.260 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.643 4.775 0.767 1.00 0.00 N ATOM 1250 CA LYS A 84 -2.953 5.805 -0.002 1.00 0.00 C ATOM 1251 C LYS A 84 -3.825 6.300 -1.152 1.00 0.00 C ATOM 1252 O LYS A 84 -3.873 7.498 -1.435 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.630 5.263 -0.547 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.443 5.531 0.361 1.00 0.00 C ATOM 1255 CD LYS A 84 0.594 4.424 0.264 1.00 0.00 C ATOM 1256 CE LYS A 84 1.730 4.637 1.253 1.00 0.00 C ATOM 1257 NZ LYS A 84 2.651 3.468 1.300 1.00 0.00 N ATOM 0 H LYS A 84 -3.036 4.036 1.121 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.748 6.644 0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.723 4.188 -0.701 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.438 5.710 -1.523 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.014 6.483 0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.785 5.621 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.119 3.462 0.455 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.994 4.387 -0.749 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.290 5.530 0.976 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.318 4.815 2.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.629 3.046 2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.350 2.760 0.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 3.619 3.780 1.082 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.512 5.372 -1.810 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.383 5.716 -2.927 1.00 0.00 C ATOM 1273 C ILE A 85 -6.703 6.300 -2.435 1.00 0.00 C ATOM 1274 O ILE A 85 -7.206 7.278 -2.987 1.00 0.00 O ATOM 1275 CB ILE A 85 -5.675 4.490 -3.811 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.390 4.002 -4.485 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -6.731 4.827 -4.853 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -3.680 2.912 -3.714 1.00 0.00 C ATOM 0 H ILE A 85 -4.482 4.377 -1.589 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.856 6.464 -3.520 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.059 3.689 -3.180 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -4.630 3.633 -5.482 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.713 4.846 -4.612 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.926 3.950 -5.470 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.651 5.131 -4.354 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.374 5.642 -5.483 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -2.779 2.615 -4.250 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.409 3.283 -2.726 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.340 2.051 -3.610 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.259 5.694 -1.391 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.520 6.154 -0.821 1.00 0.00 C ATOM 1292 C LYS A 86 -8.436 7.627 -0.434 1.00 0.00 C ATOM 1293 O LYS A 86 -9.340 8.409 -0.730 1.00 0.00 O ATOM 1294 CB LYS A 86 -8.886 5.314 0.405 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.538 3.986 0.059 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.419 3.487 1.191 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.639 2.614 2.162 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.019 3.415 3.253 1.00 0.00 N ATOM 0 H LYS A 86 -6.856 4.883 -0.922 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.296 6.038 -1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -7.985 5.126 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.562 5.887 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.135 4.097 -0.846 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.767 3.246 -0.157 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.843 4.337 1.725 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.254 2.920 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.305 1.867 2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.862 2.074 1.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.102 2.998 3.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.876 4.392 2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.646 3.415 4.083 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.346 8.000 0.228 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.143 9.380 0.651 1.00 0.00 C ATOM 1314 C ALA A 87 -7.534 10.356 -0.453 1.00 0.00 C ATOM 1315 O ALA A 87 -8.327 11.271 -0.233 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.695 9.598 1.063 1.00 0.00 C ATOM 0 H ALA A 87 -6.589 7.365 0.483 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.786 9.569 1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.558 10.633 1.377 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.448 8.932 1.890 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.040 9.385 0.218 1.00 0.00 H new