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 128:sc= 0.919 USER MOD Set 1.2: A 67 CYS SG : rot -50:sc= -0.385 USER MOD Set 1.3: A 72 CYS SG : rot -147:sc= 0.42 USER MOD Set 1.4: A 76 HIS : no HE2:sc= -0.945 K(o=0.0093,f=0.59) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.842 X(o=-0.84,f=-0.4) USER MOD Set 3.1: A 23 CYS SG : rot 122:sc= 0.573 USER MOD Set 3.2: A 31 CYS SG : rot 125:sc= 0.308 USER MOD Set 3.3: A 38 CYS SG : rot 138:sc= 0.31 USER MOD Set 3.4: A 42 HIS : no HD1:sc= -3.01! X(o=-1.8!,f=-1.9) USER MOD Set 4.1: A 19 LYS NZ :NH3+ 174:sc= 0.292 (180deg=0) USER MOD Set 4.2: A 55 THR OG1 : rot -150:sc= 0.274 USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00473 USER MOD Single : A 27 GLN : amide:sc= -1.02 K(o=-1,f=-4.1!) USER MOD Single : A 30 ASN : amide:sc= -3.07 K(o=-3.1,f=-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= -0.042 X(o=-0.042,f=-0.4) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -148:sc= -0.76 (180deg=-2.45!) 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+ 145:sc= 0.493 (180deg=0.0582) 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=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -5.181 7.502 -10.275 1.00 0.00 N ATOM 217 CA THR A 17 -5.171 7.102 -8.873 1.00 0.00 C ATOM 218 C THR A 17 -5.319 5.592 -8.731 1.00 0.00 C ATOM 219 O THR A 17 -4.874 5.005 -7.744 1.00 0.00 O ATOM 220 CB THR A 17 -6.297 7.794 -8.083 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.281 7.356 -6.720 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.655 7.494 -8.701 1.00 0.00 C ATOM 0 HA THR A 17 -4.209 7.410 -8.464 1.00 0.00 H new ATOM 0 HB THR A 17 -6.128 8.870 -8.120 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.999 7.802 -6.225 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.435 7.993 -8.126 1.00 0.00 H new ATOM 0 HG22 THR A 17 -7.675 7.855 -9.729 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.830 6.418 -8.691 1.00 0.00 H new ATOM 230 N ASP A 18 -5.946 4.968 -9.722 1.00 0.00 N ATOM 231 CA ASP A 18 -6.152 3.524 -9.707 1.00 0.00 C ATOM 232 C ASP A 18 -5.055 2.811 -10.492 1.00 0.00 C ATOM 233 O ASP A 18 -5.315 1.838 -11.200 1.00 0.00 O ATOM 234 CB ASP A 18 -7.522 3.177 -10.291 1.00 0.00 C ATOM 235 CG ASP A 18 -8.650 3.922 -9.604 1.00 0.00 C ATOM 236 OD1 ASP A 18 -8.632 4.007 -8.359 1.00 0.00 O ATOM 237 OD2 ASP A 18 -9.551 4.419 -10.313 1.00 0.00 O ATOM 0 H ASP A 18 -6.320 5.439 -10.546 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.111 3.186 -8.671 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.530 3.412 -11.355 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -7.691 2.104 -10.201 1.00 0.00 H new ATOM 242 N LYS A 19 -3.827 3.303 -10.364 1.00 0.00 N ATOM 243 CA LYS A 19 -2.690 2.714 -11.060 1.00 0.00 C ATOM 244 C LYS A 19 -1.512 2.520 -10.111 1.00 0.00 C ATOM 245 O LYS A 19 -1.007 3.480 -9.527 1.00 0.00 O ATOM 246 CB LYS A 19 -2.271 3.600 -12.235 1.00 0.00 C ATOM 247 CG LYS A 19 -3.153 3.441 -13.461 1.00 0.00 C ATOM 248 CD LYS A 19 -2.898 2.118 -14.164 1.00 0.00 C ATOM 249 CE LYS A 19 -3.151 2.224 -15.660 1.00 0.00 C ATOM 250 NZ LYS A 19 -1.978 2.790 -16.382 1.00 0.00 N ATOM 0 H LYS A 19 -3.594 4.109 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.993 1.738 -11.438 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.289 4.643 -11.918 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.241 3.367 -12.506 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -4.201 3.502 -13.167 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -2.968 4.263 -14.152 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.869 1.804 -13.989 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.542 1.349 -13.739 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -3.382 1.237 -16.060 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -4.024 2.852 -15.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -2.150 2.752 -17.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.835 3.778 -16.091 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.129 2.235 -16.153 1.00 0.00 H new ATOM 264 N LEU A 20 -1.077 1.274 -9.961 1.00 0.00 N ATOM 265 CA LEU A 20 0.043 0.954 -9.084 1.00 0.00 C ATOM 266 C LEU A 20 1.297 0.640 -9.893 1.00 0.00 C ATOM 267 O LEU A 20 1.285 -0.234 -10.759 1.00 0.00 O ATOM 268 CB LEU A 20 -0.309 -0.234 -8.186 1.00 0.00 C ATOM 269 CG LEU A 20 -0.969 0.107 -6.850 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.698 -1.104 -6.290 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.068 0.613 -5.857 1.00 0.00 C ATOM 0 H LEU A 20 -1.484 0.468 -10.436 1.00 0.00 H new ATOM 0 HA LEU A 20 0.244 1.826 -8.461 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.975 -0.897 -8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.604 -0.795 -7.985 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.699 0.899 -7.019 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.161 -0.842 -5.339 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.468 -1.423 -6.993 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.988 -1.917 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.419 0.851 -4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.821 -0.158 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.546 1.509 -6.254 1.00 0.00 H new ATOM 283 N GLU A 21 2.378 1.358 -9.604 1.00 0.00 N ATOM 284 CA GLU A 21 3.640 1.154 -10.305 1.00 0.00 C ATOM 285 C GLU A 21 4.301 -0.150 -9.868 1.00 0.00 C ATOM 286 O GLU A 21 4.715 -0.295 -8.718 1.00 0.00 O ATOM 287 CB GLU A 21 4.587 2.329 -10.049 1.00 0.00 C ATOM 288 CG GLU A 21 4.298 3.543 -10.915 1.00 0.00 C ATOM 289 CD GLU A 21 4.846 4.827 -10.322 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.304 5.284 -9.294 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.817 5.373 -10.885 1.00 0.00 O ATOM 0 H GLU A 21 2.405 2.086 -8.890 1.00 0.00 H new ATOM 0 HA GLU A 21 3.427 1.094 -11.372 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.520 2.617 -9.000 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.612 2.003 -10.225 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.730 3.390 -11.904 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.221 3.640 -11.050 1.00 0.00 H new ATOM 298 N VAL A 22 4.395 -1.099 -10.795 1.00 0.00 N ATOM 299 CA VAL A 22 5.004 -2.391 -10.507 1.00 0.00 C ATOM 300 C VAL A 22 6.499 -2.246 -10.241 1.00 0.00 C ATOM 301 O VAL A 22 7.220 -1.613 -11.012 1.00 0.00 O ATOM 302 CB VAL A 22 4.795 -3.382 -11.668 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.721 -4.579 -11.522 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.341 -3.827 -11.732 1.00 0.00 C ATOM 0 H VAL A 22 4.057 -0.996 -11.752 1.00 0.00 H new ATOM 0 HA VAL A 22 4.514 -2.780 -9.614 1.00 0.00 H new ATOM 0 HB VAL A 22 5.039 -2.877 -12.603 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.559 -5.268 -12.351 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.757 -4.240 -11.529 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.512 -5.088 -10.581 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.211 -4.527 -12.558 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.068 -4.315 -10.796 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.701 -2.958 -11.888 1.00 0.00 H new ATOM 314 N CYS A 23 6.958 -2.839 -9.143 1.00 0.00 N ATOM 315 CA CYS A 23 8.367 -2.777 -8.773 1.00 0.00 C ATOM 316 C CYS A 23 9.233 -3.485 -9.811 1.00 0.00 C ATOM 317 O CYS A 23 8.777 -4.402 -10.494 1.00 0.00 O ATOM 318 CB CYS A 23 8.583 -3.407 -7.396 1.00 0.00 C ATOM 319 SG CYS A 23 9.964 -2.683 -6.455 1.00 0.00 S ATOM 0 H CYS A 23 6.375 -3.368 -8.495 1.00 0.00 H new ATOM 0 HA CYS A 23 8.661 -1.728 -8.734 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.667 -3.304 -6.814 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.763 -4.475 -7.521 1.00 0.00 H new ATOM 0 HG CYS A 23 9.525 -2.231 -5.318 1.00 0.00 H new ATOM 324 N ARG A 24 10.486 -3.055 -9.921 1.00 0.00 N ATOM 325 CA ARG A 24 11.416 -3.647 -10.875 1.00 0.00 C ATOM 326 C ARG A 24 12.209 -4.779 -10.230 1.00 0.00 C ATOM 327 O ARG A 24 12.502 -5.788 -10.870 1.00 0.00 O ATOM 328 CB ARG A 24 12.373 -2.582 -11.414 1.00 0.00 C ATOM 329 CG ARG A 24 11.678 -1.474 -12.188 1.00 0.00 C ATOM 330 CD ARG A 24 11.290 -0.319 -11.278 1.00 0.00 C ATOM 331 NE ARG A 24 12.341 0.692 -11.198 1.00 0.00 N ATOM 332 CZ ARG A 24 12.130 1.942 -10.803 1.00 0.00 C ATOM 333 NH1 ARG A 24 10.912 2.334 -10.454 1.00 0.00 N ATOM 334 NH2 ARG A 24 13.138 2.804 -10.756 1.00 0.00 N ATOM 0 H ARG A 24 10.880 -2.299 -9.361 1.00 0.00 H new ATOM 0 HA ARG A 24 10.837 -4.058 -11.702 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.921 -2.143 -10.580 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.108 -3.060 -12.062 1.00 0.00 H new ATOM 0 HG2 ARG A 24 12.336 -1.112 -12.977 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.787 -1.871 -12.674 1.00 0.00 H new ATOM 0 HD2 ARG A 24 10.373 0.140 -11.646 1.00 0.00 H new ATOM 0 HD3 ARG A 24 11.077 -0.700 -10.279 1.00 0.00 H new ATOM 0 HE ARG A 24 13.289 0.423 -11.460 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.135 1.675 -10.489 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.753 3.295 -10.151 1.00 0.00 H new ATOM 0 HH21 ARG A 24 14.076 2.507 -11.024 1.00 0.00 H new ATOM 0 HH22 ARG A 24 12.974 3.764 -10.452 1.00 0.00 H new ATOM 348 N GLU A 25 12.553 -4.604 -8.958 1.00 0.00 N ATOM 349 CA GLU A 25 13.314 -5.611 -8.227 1.00 0.00 C ATOM 350 C GLU A 25 12.472 -6.861 -7.989 1.00 0.00 C ATOM 351 O GLU A 25 12.796 -7.943 -8.479 1.00 0.00 O ATOM 352 CB GLU A 25 13.797 -5.046 -6.889 1.00 0.00 C ATOM 353 CG GLU A 25 14.859 -3.969 -7.031 1.00 0.00 C ATOM 354 CD GLU A 25 16.252 -4.543 -7.207 1.00 0.00 C ATOM 355 OE1 GLU A 25 16.410 -5.474 -8.024 1.00 0.00 O ATOM 356 OE2 GLU A 25 17.182 -4.062 -6.527 1.00 0.00 O ATOM 0 H GLU A 25 12.317 -3.775 -8.413 1.00 0.00 H new ATOM 0 HA GLU A 25 14.179 -5.885 -8.831 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.944 -4.635 -6.349 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.196 -5.860 -6.283 1.00 0.00 H new ATOM 0 HG2 GLU A 25 14.619 -3.338 -7.887 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.843 -3.329 -6.149 1.00 0.00 H new ATOM 363 N PHE A 26 11.391 -6.705 -7.233 1.00 0.00 N ATOM 364 CA PHE A 26 10.503 -7.821 -6.928 1.00 0.00 C ATOM 365 C PHE A 26 10.420 -8.787 -8.106 1.00 0.00 C ATOM 366 O PHE A 26 10.463 -10.004 -7.927 1.00 0.00 O ATOM 367 CB PHE A 26 9.106 -7.307 -6.576 1.00 0.00 C ATOM 368 CG PHE A 26 8.017 -8.312 -6.823 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.392 -8.387 -8.056 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.620 -9.183 -5.820 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.390 -9.312 -8.287 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.620 -10.109 -6.045 1.00 0.00 C ATOM 373 CZ PHE A 26 6.003 -10.173 -7.279 1.00 0.00 C ATOM 0 H PHE A 26 11.108 -5.816 -6.820 1.00 0.00 H new ATOM 0 HA PHE A 26 10.913 -8.355 -6.071 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.089 -7.015 -5.526 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.900 -6.410 -7.159 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.690 -7.715 -8.847 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.098 -9.137 -4.852 1.00 0.00 H new ATOM 0 HE1 PHE A 26 5.911 -9.361 -9.254 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.321 -10.783 -5.256 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.219 -10.895 -7.455 1.00 0.00 H new ATOM 383 N GLN A 27 10.301 -8.236 -9.309 1.00 0.00 N ATOM 384 CA GLN A 27 10.211 -9.048 -10.516 1.00 0.00 C ATOM 385 C GLN A 27 11.316 -10.099 -10.548 1.00 0.00 C ATOM 386 O GLN A 27 11.056 -11.281 -10.777 1.00 0.00 O ATOM 387 CB GLN A 27 10.297 -8.163 -11.760 1.00 0.00 C ATOM 388 CG GLN A 27 9.153 -7.169 -11.879 1.00 0.00 C ATOM 389 CD GLN A 27 9.216 -6.357 -13.158 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.543 -5.170 -13.138 1.00 0.00 O ATOM 391 NE2 GLN A 27 8.902 -6.994 -14.280 1.00 0.00 N ATOM 0 H GLN A 27 10.265 -7.230 -9.474 1.00 0.00 H new ATOM 0 HA GLN A 27 9.248 -9.559 -10.509 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.241 -7.618 -11.744 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.310 -8.797 -12.647 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.205 -7.706 -11.840 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.173 -6.494 -11.023 1.00 0.00 H new ATOM 0 HE21 GLN A 27 8.637 -7.978 -14.250 1.00 0.00 H new ATOM 0 HE22 GLN A 27 8.926 -6.499 -15.171 1.00 0.00 H new ATOM 400 N ARG A 28 12.549 -9.661 -10.318 1.00 0.00 N ATOM 401 CA ARG A 28 13.694 -10.564 -10.323 1.00 0.00 C ATOM 402 C ARG A 28 13.982 -11.084 -8.918 1.00 0.00 C ATOM 403 O ARG A 28 15.066 -11.598 -8.645 1.00 0.00 O ATOM 404 CB ARG A 28 14.929 -9.853 -10.879 1.00 0.00 C ATOM 405 CG ARG A 28 15.371 -8.660 -10.047 1.00 0.00 C ATOM 406 CD ARG A 28 16.567 -7.958 -10.671 1.00 0.00 C ATOM 407 NE ARG A 28 17.713 -8.852 -10.815 1.00 0.00 N ATOM 408 CZ ARG A 28 18.894 -8.463 -11.282 1.00 0.00 C ATOM 409 NH1 ARG A 28 19.084 -7.202 -11.647 1.00 0.00 N ATOM 410 NH2 ARG A 28 19.888 -9.335 -11.383 1.00 0.00 N ATOM 0 H ARG A 28 12.781 -8.687 -10.126 1.00 0.00 H new ATOM 0 HA ARG A 28 13.453 -11.413 -10.963 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.751 -10.566 -10.942 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.719 -9.519 -11.895 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.544 -7.956 -9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.627 -8.992 -9.041 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.288 -7.566 -11.649 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.848 -7.104 -10.054 1.00 0.00 H new ATOM 0 HE ARG A 28 17.600 -9.828 -10.542 1.00 0.00 H new ATOM 0 HH11 ARG A 28 18.322 -6.528 -11.569 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.992 -6.906 -12.005 1.00 0.00 H new ATOM 0 HH21 ARG A 28 19.746 -10.305 -11.102 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.795 -9.036 -11.742 1.00 0.00 H new ATOM 424 N GLY A 29 13.003 -10.945 -8.029 1.00 0.00 N ATOM 425 CA GLY A 29 13.172 -11.405 -6.662 1.00 0.00 C ATOM 426 C GLY A 29 14.370 -10.773 -5.982 1.00 0.00 C ATOM 427 O GLY A 29 15.217 -11.472 -5.428 1.00 0.00 O ATOM 0 H GLY A 29 12.097 -10.523 -8.230 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.272 -11.177 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.286 -12.489 -6.658 1.00 0.00 H new ATOM 431 N ASN A 30 14.442 -9.447 -6.025 1.00 0.00 N ATOM 432 CA ASN A 30 15.547 -8.721 -5.409 1.00 0.00 C ATOM 433 C ASN A 30 15.041 -7.786 -4.315 1.00 0.00 C ATOM 434 O ASN A 30 15.703 -7.589 -3.296 1.00 0.00 O ATOM 435 CB ASN A 30 16.311 -7.921 -6.466 1.00 0.00 C ATOM 436 CG ASN A 30 17.463 -7.133 -5.874 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.258 -6.120 -5.204 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.684 -7.595 -6.119 1.00 0.00 N ATOM 0 H ASN A 30 13.749 -8.853 -6.480 1.00 0.00 H new ATOM 0 HA ASN A 30 16.220 -9.449 -4.957 1.00 0.00 H new ATOM 0 HB2 ASN A 30 16.693 -8.602 -7.227 1.00 0.00 H new ATOM 0 HB3 ASN A 30 15.625 -7.237 -6.966 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.498 -7.106 -5.747 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.807 -8.438 -6.679 1.00 0.00 H new ATOM 445 N CYS A 31 13.862 -7.212 -4.533 1.00 0.00 N ATOM 446 CA CYS A 31 13.266 -6.298 -3.567 1.00 0.00 C ATOM 447 C CYS A 31 13.233 -6.922 -2.175 1.00 0.00 C ATOM 448 O CYS A 31 12.802 -8.062 -2.005 1.00 0.00 O ATOM 449 CB CYS A 31 11.848 -5.917 -4.000 1.00 0.00 C ATOM 450 SG CYS A 31 11.264 -4.331 -3.322 1.00 0.00 S ATOM 0 H CYS A 31 13.301 -7.364 -5.371 1.00 0.00 H new ATOM 0 HA CYS A 31 13.881 -5.399 -3.529 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.812 -5.870 -5.088 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.162 -6.706 -3.693 1.00 0.00 H new ATOM 0 HG CYS A 31 10.887 -3.556 -4.295 1.00 0.00 H new ATOM 455 N ALA A 32 13.692 -6.167 -1.182 1.00 0.00 N ATOM 456 CA ALA A 32 13.714 -6.644 0.194 1.00 0.00 C ATOM 457 C ALA A 32 12.532 -6.093 0.985 1.00 0.00 C ATOM 458 O ALA A 32 12.051 -6.728 1.924 1.00 0.00 O ATOM 459 CB ALA A 32 15.025 -6.262 0.865 1.00 0.00 C ATOM 0 H ALA A 32 14.054 -5.221 -1.306 1.00 0.00 H new ATOM 0 HA ALA A 32 13.631 -7.731 0.177 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.027 -6.625 1.893 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.856 -6.710 0.320 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.132 -5.177 0.863 1.00 0.00 H new ATOM 465 N ARG A 33 12.070 -4.908 0.601 1.00 0.00 N ATOM 466 CA ARG A 33 10.946 -4.271 1.275 1.00 0.00 C ATOM 467 C ARG A 33 9.688 -5.129 1.166 1.00 0.00 C ATOM 468 O ARG A 33 8.827 -5.101 2.043 1.00 0.00 O ATOM 469 CB ARG A 33 10.684 -2.886 0.680 1.00 0.00 C ATOM 470 CG ARG A 33 11.712 -1.844 1.090 1.00 0.00 C ATOM 471 CD ARG A 33 11.112 -0.446 1.106 1.00 0.00 C ATOM 472 NE ARG A 33 10.513 -0.122 2.398 1.00 0.00 N ATOM 473 CZ ARG A 33 10.268 1.118 2.804 1.00 0.00 C ATOM 474 NH1 ARG A 33 10.568 2.147 2.022 1.00 0.00 N ATOM 475 NH2 ARG A 33 9.721 1.333 3.993 1.00 0.00 N ATOM 0 H ARG A 33 12.457 -4.369 -0.174 1.00 0.00 H new ATOM 0 HA ARG A 33 11.202 -4.164 2.329 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.671 -2.963 -0.407 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.694 -2.549 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.102 -2.085 2.079 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.555 -1.872 0.400 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.887 0.284 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.355 -0.367 0.326 1.00 0.00 H new ATOM 0 HE ARG A 33 10.270 -0.891 3.023 1.00 0.00 H new ATOM 0 HH11 ARG A 33 10.988 1.986 1.106 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.379 3.099 2.336 1.00 0.00 H new ATOM 0 HH21 ARG A 33 9.488 0.545 4.597 1.00 0.00 H new ATOM 0 HH22 ARG A 33 9.534 2.286 4.303 1.00 0.00 H new ATOM 489 N GLY A 34 9.591 -5.891 0.080 1.00 0.00 N ATOM 490 CA GLY A 34 8.436 -6.745 -0.125 1.00 0.00 C ATOM 491 C GLY A 34 7.162 -5.955 -0.350 1.00 0.00 C ATOM 492 O GLY A 34 7.185 -4.725 -0.376 1.00 0.00 O ATOM 0 H GLY A 34 10.291 -5.932 -0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.615 -7.392 -0.984 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.309 -7.393 0.742 1.00 0.00 H new ATOM 496 N GLU A 35 6.049 -6.663 -0.515 1.00 0.00 N ATOM 497 CA GLU A 35 4.761 -6.018 -0.742 1.00 0.00 C ATOM 498 C GLU A 35 4.207 -5.437 0.556 1.00 0.00 C ATOM 499 O GLU A 35 3.098 -4.903 0.587 1.00 0.00 O ATOM 500 CB GLU A 35 3.764 -7.016 -1.334 1.00 0.00 C ATOM 501 CG GLU A 35 2.394 -6.417 -1.609 1.00 0.00 C ATOM 502 CD GLU A 35 1.683 -7.094 -2.764 1.00 0.00 C ATOM 503 OE1 GLU A 35 2.371 -7.528 -3.712 1.00 0.00 O ATOM 504 OE2 GLU A 35 0.438 -7.191 -2.720 1.00 0.00 O ATOM 0 H GLU A 35 6.013 -7.682 -0.496 1.00 0.00 H new ATOM 0 HA GLU A 35 4.911 -5.202 -1.449 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.170 -7.415 -2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.653 -7.856 -0.648 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.780 -6.497 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.503 -5.355 -1.827 1.00 0.00 H new ATOM 511 N THR A 36 4.987 -5.547 1.627 1.00 0.00 N ATOM 512 CA THR A 36 4.575 -5.035 2.928 1.00 0.00 C ATOM 513 C THR A 36 5.346 -3.771 3.291 1.00 0.00 C ATOM 514 O THR A 36 4.793 -2.844 3.883 1.00 0.00 O ATOM 515 CB THR A 36 4.782 -6.085 4.036 1.00 0.00 C ATOM 516 OG1 THR A 36 6.163 -6.456 4.107 1.00 0.00 O ATOM 517 CG2 THR A 36 3.933 -7.320 3.776 1.00 0.00 C ATOM 0 H THR A 36 5.908 -5.986 1.619 1.00 0.00 H new ATOM 0 HA THR A 36 3.513 -4.801 2.853 1.00 0.00 H new ATOM 0 HB THR A 36 4.475 -5.645 4.985 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.287 -7.122 4.815 1.00 0.00 H new ATOM 0 HG21 THR A 36 4.096 -8.047 4.571 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.880 -7.039 3.751 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.214 -7.760 2.819 1.00 0.00 H new ATOM 525 N ASP A 37 6.625 -3.741 2.933 1.00 0.00 N ATOM 526 CA ASP A 37 7.472 -2.589 3.220 1.00 0.00 C ATOM 527 C ASP A 37 7.671 -1.736 1.971 1.00 0.00 C ATOM 528 O ASP A 37 8.134 -0.598 2.051 1.00 0.00 O ATOM 529 CB ASP A 37 8.828 -3.048 3.760 1.00 0.00 C ATOM 530 CG ASP A 37 9.440 -2.043 4.716 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.678 -1.265 5.327 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.682 -2.034 4.852 1.00 0.00 O ATOM 0 H ASP A 37 7.098 -4.501 2.444 1.00 0.00 H new ATOM 0 HA ASP A 37 6.974 -1.983 3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.708 -4.004 4.270 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.510 -3.215 2.927 1.00 0.00 H new ATOM 537 N CYS A 38 7.318 -2.294 0.818 1.00 0.00 N ATOM 538 CA CYS A 38 7.459 -1.586 -0.449 1.00 0.00 C ATOM 539 C CYS A 38 6.127 -0.981 -0.885 1.00 0.00 C ATOM 540 O CYS A 38 5.086 -1.636 -0.823 1.00 0.00 O ATOM 541 CB CYS A 38 7.980 -2.533 -1.532 1.00 0.00 C ATOM 542 SG CYS A 38 8.762 -1.689 -2.944 1.00 0.00 S ATOM 0 H CYS A 38 6.932 -3.235 0.735 1.00 0.00 H new ATOM 0 HA CYS A 38 8.177 -0.778 -0.307 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.702 -3.216 -1.085 1.00 0.00 H new ATOM 0 HB3 CYS A 38 7.152 -3.140 -1.898 1.00 0.00 H new ATOM 0 HG CYS A 38 9.841 -2.328 -3.288 1.00 0.00 H new ATOM 547 N ARG A 39 6.168 0.272 -1.326 1.00 0.00 N ATOM 548 CA ARG A 39 4.965 0.965 -1.771 1.00 0.00 C ATOM 549 C ARG A 39 4.502 0.434 -3.124 1.00 0.00 C ATOM 550 O ARG A 39 3.303 0.321 -3.381 1.00 0.00 O ATOM 551 CB ARG A 39 5.223 2.470 -1.862 1.00 0.00 C ATOM 552 CG ARG A 39 5.640 3.098 -0.542 1.00 0.00 C ATOM 553 CD ARG A 39 5.663 4.616 -0.630 1.00 0.00 C ATOM 554 NE ARG A 39 6.940 5.116 -1.135 1.00 0.00 N ATOM 555 CZ ARG A 39 7.076 6.276 -1.767 1.00 0.00 C ATOM 556 NH1 ARG A 39 6.021 7.052 -1.970 1.00 0.00 N ATOM 557 NH2 ARG A 39 8.271 6.662 -2.197 1.00 0.00 N ATOM 0 H ARG A 39 7.021 0.828 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 39 4.178 0.782 -1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.001 2.652 -2.603 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.320 2.964 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.950 2.788 0.243 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.628 2.734 -0.261 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.858 4.954 -1.283 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.472 5.039 0.356 1.00 0.00 H new ATOM 0 HE ARG A 39 7.772 4.543 -0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.101 6.759 -1.640 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.129 7.942 -2.456 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.085 6.068 -2.042 1.00 0.00 H new ATOM 0 HH22 ARG A 39 8.375 7.553 -2.682 1.00 0.00 H new ATOM 571 N PHE A 40 5.459 0.111 -3.987 1.00 0.00 N ATOM 572 CA PHE A 40 5.149 -0.406 -5.315 1.00 0.00 C ATOM 573 C PHE A 40 4.396 -1.729 -5.221 1.00 0.00 C ATOM 574 O PHE A 40 4.651 -2.539 -4.330 1.00 0.00 O ATOM 575 CB PHE A 40 6.434 -0.593 -6.125 1.00 0.00 C ATOM 576 CG PHE A 40 7.238 0.667 -6.274 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.842 1.656 -7.160 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.390 0.862 -5.529 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.579 2.817 -7.300 1.00 0.00 C ATOM 580 CE2 PHE A 40 9.130 2.021 -5.665 1.00 0.00 C ATOM 581 CZ PHE A 40 8.725 2.999 -6.552 1.00 0.00 C ATOM 0 H PHE A 40 6.456 0.198 -3.791 1.00 0.00 H new ATOM 0 HA PHE A 40 4.511 0.319 -5.821 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.050 -1.353 -5.644 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.178 -0.970 -7.115 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.947 1.518 -7.748 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.713 0.100 -4.835 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.259 3.581 -7.993 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.025 2.162 -5.078 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.304 3.904 -6.660 1.00 0.00 H new ATOM 591 N ALA A 41 3.467 -1.942 -6.147 1.00 0.00 N ATOM 592 CA ALA A 41 2.677 -3.166 -6.170 1.00 0.00 C ATOM 593 C ALA A 41 3.498 -4.339 -6.696 1.00 0.00 C ATOM 594 O ALA A 41 4.041 -4.285 -7.800 1.00 0.00 O ATOM 595 CB ALA A 41 1.428 -2.973 -7.017 1.00 0.00 C ATOM 0 H ALA A 41 3.243 -1.282 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 41 2.377 -3.395 -5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.848 -3.896 -7.025 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.824 -2.168 -6.597 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.716 -2.717 -8.037 1.00 0.00 H new ATOM 601 N HIS A 42 3.586 -5.399 -5.898 1.00 0.00 N ATOM 602 CA HIS A 42 4.342 -6.585 -6.284 1.00 0.00 C ATOM 603 C HIS A 42 3.412 -7.675 -6.810 1.00 0.00 C ATOM 604 O HIS A 42 2.766 -8.395 -6.048 1.00 0.00 O ATOM 605 CB HIS A 42 5.144 -7.114 -5.094 1.00 0.00 C ATOM 606 CG HIS A 42 6.313 -6.252 -4.729 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.273 -6.633 -3.816 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.675 -5.021 -5.162 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.174 -5.673 -3.702 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.835 -4.684 -4.508 1.00 0.00 N ATOM 0 H HIS A 42 3.143 -5.461 -4.981 1.00 0.00 H new ATOM 0 HA HIS A 42 5.030 -6.303 -7.081 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.484 -7.201 -4.231 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.501 -8.118 -5.324 1.00 0.00 H new ATOM 0 HD2 HIS A 42 6.149 -4.417 -5.887 1.00 0.00 H new ATOM 0 HE1 HIS A 42 9.041 -5.694 -3.058 1.00 0.00 H new ATOM 0 HE2 HIS A 42 8.350 -3.812 -4.626 1.00 0.00 H new ATOM 618 N PRO A 43 3.340 -7.799 -8.143 1.00 0.00 N ATOM 619 CA PRO A 43 2.492 -8.798 -8.801 1.00 0.00 C ATOM 620 C PRO A 43 3.006 -10.219 -8.597 1.00 0.00 C ATOM 621 O PRO A 43 3.954 -10.647 -9.256 1.00 0.00 O ATOM 622 CB PRO A 43 2.567 -8.409 -10.279 1.00 0.00 C ATOM 623 CG PRO A 43 3.865 -7.690 -10.417 1.00 0.00 C ATOM 624 CD PRO A 43 4.082 -6.975 -9.112 1.00 0.00 C ATOM 0 HA PRO A 43 1.479 -8.802 -8.398 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.531 -9.288 -10.922 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.730 -7.772 -10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.678 -8.387 -10.620 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.835 -6.985 -11.248 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.140 -6.913 -8.859 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.702 -5.954 -9.145 1.00 0.00 H new ATOM 696 N ILE A 49 1.227 -7.803 -15.995 1.00 0.00 N ATOM 697 CA ILE A 49 2.154 -6.690 -16.155 1.00 0.00 C ATOM 698 C ILE A 49 2.190 -6.208 -17.601 1.00 0.00 C ATOM 699 O ILE A 49 1.966 -6.983 -18.531 1.00 0.00 O ATOM 700 CB ILE A 49 3.580 -7.078 -15.720 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.588 -7.516 -14.254 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.535 -5.914 -15.936 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.864 -8.213 -13.838 1.00 0.00 C ATOM 0 HA ILE A 49 1.794 -5.885 -15.515 1.00 0.00 H new ATOM 0 HB ILE A 49 3.915 -7.916 -16.332 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.439 -6.641 -13.621 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.745 -8.184 -14.078 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.538 -6.204 -15.624 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.547 -5.644 -16.992 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.205 -5.058 -15.347 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.799 -8.495 -12.787 1.00 0.00 H new ATOM 0 HD12 ILE A 49 5.005 -9.107 -14.445 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.709 -7.540 -13.981 1.00 0.00 H new ATOM 715 N ASP A 50 2.475 -4.923 -17.784 1.00 0.00 N ATOM 716 CA ASP A 50 2.543 -4.337 -19.117 1.00 0.00 C ATOM 717 C ASP A 50 3.953 -3.840 -19.421 1.00 0.00 C ATOM 718 O ASP A 50 4.496 -3.000 -18.702 1.00 0.00 O ATOM 719 CB ASP A 50 1.545 -3.185 -19.243 1.00 0.00 C ATOM 720 CG ASP A 50 0.185 -3.648 -19.727 1.00 0.00 C ATOM 721 OD1 ASP A 50 0.056 -3.953 -20.931 1.00 0.00 O ATOM 722 OD2 ASP A 50 -0.751 -3.705 -18.901 1.00 0.00 O ATOM 0 H ASP A 50 2.663 -4.268 -17.025 1.00 0.00 H new ATOM 0 HA ASP A 50 2.286 -5.111 -19.840 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.436 -2.695 -18.275 1.00 0.00 H new ATOM 0 HB3 ASP A 50 1.939 -2.440 -19.934 1.00 0.00 H new ATOM 727 N THR A 51 4.543 -4.366 -20.490 1.00 0.00 N ATOM 728 CA THR A 51 5.891 -3.978 -20.887 1.00 0.00 C ATOM 729 C THR A 51 5.890 -2.620 -21.581 1.00 0.00 C ATOM 730 O THR A 51 6.922 -2.162 -22.070 1.00 0.00 O ATOM 731 CB THR A 51 6.521 -5.022 -21.828 1.00 0.00 C ATOM 732 OG1 THR A 51 5.747 -5.131 -23.028 1.00 0.00 O ATOM 733 CG2 THR A 51 6.608 -6.380 -21.149 1.00 0.00 C ATOM 0 H THR A 51 4.108 -5.062 -21.096 1.00 0.00 H new ATOM 0 HA THR A 51 6.484 -3.916 -19.975 1.00 0.00 H new ATOM 0 HB THR A 51 7.530 -4.693 -22.076 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.155 -5.795 -23.621 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.056 -7.101 -21.833 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.223 -6.300 -20.252 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.608 -6.714 -20.874 1.00 0.00 H new ATOM 741 N SER A 52 4.725 -1.981 -21.619 1.00 0.00 N ATOM 742 CA SER A 52 4.590 -0.676 -22.255 1.00 0.00 C ATOM 743 C SER A 52 4.696 0.445 -21.225 1.00 0.00 C ATOM 744 O SER A 52 5.350 1.461 -21.462 1.00 0.00 O ATOM 745 CB SER A 52 3.253 -0.581 -22.993 1.00 0.00 C ATOM 746 OG SER A 52 2.172 -0.891 -22.131 1.00 0.00 O ATOM 0 H SER A 52 3.861 -2.346 -21.217 1.00 0.00 H new ATOM 0 HA SER A 52 5.402 -0.564 -22.973 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.126 0.425 -23.394 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.253 -1.265 -23.842 1.00 0.00 H new ATOM 0 HG SER A 52 1.329 -0.822 -22.626 1.00 0.00 H new ATOM 752 N ASP A 53 4.048 0.252 -20.082 1.00 0.00 N ATOM 753 CA ASP A 53 4.069 1.244 -19.014 1.00 0.00 C ATOM 754 C ASP A 53 4.575 0.632 -17.712 1.00 0.00 C ATOM 755 O ASP A 53 5.186 1.313 -16.890 1.00 0.00 O ATOM 756 CB ASP A 53 2.671 1.831 -18.806 1.00 0.00 C ATOM 757 CG ASP A 53 2.349 2.927 -19.804 1.00 0.00 C ATOM 758 OD1 ASP A 53 2.892 4.041 -19.655 1.00 0.00 O ATOM 759 OD2 ASP A 53 1.554 2.670 -20.732 1.00 0.00 O ATOM 0 H ASP A 53 3.501 -0.583 -19.871 1.00 0.00 H new ATOM 0 HA ASP A 53 4.751 2.042 -19.308 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.930 1.036 -18.892 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.595 2.230 -17.795 1.00 0.00 H new ATOM 764 N ASN A 54 4.315 -0.659 -17.531 1.00 0.00 N ATOM 765 CA ASN A 54 4.743 -1.364 -16.328 1.00 0.00 C ATOM 766 C ASN A 54 3.894 -0.957 -15.128 1.00 0.00 C ATOM 767 O ASN A 54 4.404 -0.788 -14.020 1.00 0.00 O ATOM 768 CB ASN A 54 6.219 -1.079 -16.043 1.00 0.00 C ATOM 769 CG ASN A 54 6.904 -2.232 -15.334 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.750 -3.391 -15.719 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.665 -1.917 -14.292 1.00 0.00 N ATOM 0 H ASN A 54 3.810 -1.238 -18.202 1.00 0.00 H new ATOM 0 HA ASN A 54 4.612 -2.433 -16.497 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.735 -0.875 -16.981 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.301 -0.180 -15.432 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.151 -2.650 -13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.764 -0.942 -14.009 1.00 0.00 H new ATOM 778 N THR A 55 2.593 -0.801 -15.356 1.00 0.00 N ATOM 779 CA THR A 55 1.673 -0.413 -14.294 1.00 0.00 C ATOM 780 C THR A 55 0.459 -1.334 -14.255 1.00 0.00 C ATOM 781 O THR A 55 0.000 -1.816 -15.291 1.00 0.00 O ATOM 782 CB THR A 55 1.194 1.041 -14.470 1.00 0.00 C ATOM 783 OG1 THR A 55 0.692 1.235 -15.797 1.00 0.00 O ATOM 784 CG2 THR A 55 2.327 2.020 -14.202 1.00 0.00 C ATOM 0 H THR A 55 2.153 -0.937 -16.266 1.00 0.00 H new ATOM 0 HA THR A 55 2.220 -0.497 -13.355 1.00 0.00 H new ATOM 0 HB THR A 55 0.397 1.227 -13.750 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.836 2.166 -16.068 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.965 3.040 -14.332 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.686 1.890 -13.181 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.143 1.832 -14.900 1.00 0.00 H new ATOM 792 N VAL A 56 -0.057 -1.575 -13.054 1.00 0.00 N ATOM 793 CA VAL A 56 -1.219 -2.438 -12.880 1.00 0.00 C ATOM 794 C VAL A 56 -2.431 -1.640 -12.414 1.00 0.00 C ATOM 795 O VAL A 56 -2.312 -0.732 -11.591 1.00 0.00 O ATOM 796 CB VAL A 56 -0.937 -3.562 -11.866 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.211 -4.438 -12.344 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.636 -2.978 -10.494 1.00 0.00 C ATOM 0 H VAL A 56 0.312 -1.184 -12.187 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.432 -2.882 -13.853 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.828 -4.185 -11.784 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.395 -5.226 -11.614 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.048 -4.885 -13.304 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.109 -3.831 -12.457 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.439 -3.786 -9.790 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.239 -2.331 -10.558 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.492 -2.397 -10.150 1.00 0.00 H new ATOM 808 N THR A 57 -3.600 -1.985 -12.945 1.00 0.00 N ATOM 809 CA THR A 57 -4.835 -1.301 -12.584 1.00 0.00 C ATOM 810 C THR A 57 -5.258 -1.644 -11.160 1.00 0.00 C ATOM 811 O THR A 57 -5.048 -2.763 -10.692 1.00 0.00 O ATOM 812 CB THR A 57 -5.980 -1.663 -13.549 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.520 -1.596 -14.903 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.162 -0.723 -13.362 1.00 0.00 C ATOM 0 H THR A 57 -3.717 -2.735 -13.627 1.00 0.00 H new ATOM 0 HA THR A 57 -4.636 -0.232 -12.653 1.00 0.00 H new ATOM 0 HB THR A 57 -6.305 -2.679 -13.327 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.254 -1.829 -15.510 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.958 -0.998 -14.054 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.529 -0.799 -12.338 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.847 0.302 -13.560 1.00 0.00 H new ATOM 822 N VAL A 58 -5.855 -0.673 -10.475 1.00 0.00 N ATOM 823 CA VAL A 58 -6.309 -0.873 -9.104 1.00 0.00 C ATOM 824 C VAL A 58 -7.831 -0.921 -9.031 1.00 0.00 C ATOM 825 O VAL A 58 -8.513 0.014 -9.451 1.00 0.00 O ATOM 826 CB VAL A 58 -5.796 0.242 -8.175 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.416 0.113 -6.792 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.277 0.210 -8.092 1.00 0.00 C ATOM 0 H VAL A 58 -6.035 0.259 -10.847 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.902 -1.828 -8.772 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.094 1.204 -8.592 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.041 0.910 -6.150 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.500 0.190 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.151 -0.854 -6.363 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.932 1.005 -7.431 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.954 -0.754 -7.699 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.855 0.356 -9.086 1.00 0.00 H new ATOM 838 N CYS A 59 -8.358 -2.016 -8.494 1.00 0.00 N ATOM 839 CA CYS A 59 -9.800 -2.187 -8.365 1.00 0.00 C ATOM 840 C CYS A 59 -10.396 -1.114 -7.458 1.00 0.00 C ATOM 841 O CYS A 59 -10.160 -1.107 -6.251 1.00 0.00 O ATOM 842 CB CYS A 59 -10.122 -3.576 -7.810 1.00 0.00 C ATOM 843 SG CYS A 59 -11.896 -3.991 -7.828 1.00 0.00 S ATOM 0 H CYS A 59 -7.808 -2.799 -8.141 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.243 -2.087 -9.356 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.579 -4.322 -8.390 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.755 -3.640 -6.786 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.067 -5.141 -8.410 1.00 0.00 H new ATOM 848 N MET A 60 -11.169 -0.210 -8.050 1.00 0.00 N ATOM 849 CA MET A 60 -11.801 0.867 -7.296 1.00 0.00 C ATOM 850 C MET A 60 -12.720 0.307 -6.215 1.00 0.00 C ATOM 851 O MET A 60 -12.580 0.634 -5.037 1.00 0.00 O ATOM 852 CB MET A 60 -12.593 1.779 -8.234 1.00 0.00 C ATOM 853 CG MET A 60 -13.036 3.080 -7.586 1.00 0.00 C ATOM 854 SD MET A 60 -11.780 4.370 -7.689 1.00 0.00 S ATOM 855 CE MET A 60 -10.827 4.034 -6.211 1.00 0.00 C ATOM 0 H MET A 60 -11.373 -0.201 -9.049 1.00 0.00 H new ATOM 0 HA MET A 60 -11.015 1.449 -6.814 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.982 2.007 -9.107 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.472 1.243 -8.592 1.00 0.00 H new ATOM 0 HG2 MET A 60 -13.950 3.429 -8.068 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.278 2.896 -6.539 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.426 4.968 -5.816 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.468 3.569 -5.462 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.005 3.360 -6.453 1.00 0.00 H new ATOM 865 N ASP A 61 -13.660 -0.538 -6.624 1.00 0.00 N ATOM 866 CA ASP A 61 -14.603 -1.144 -5.691 1.00 0.00 C ATOM 867 C ASP A 61 -13.875 -1.710 -4.475 1.00 0.00 C ATOM 868 O ASP A 61 -14.090 -1.265 -3.347 1.00 0.00 O ATOM 869 CB ASP A 61 -15.401 -2.249 -6.383 1.00 0.00 C ATOM 870 CG ASP A 61 -16.591 -1.710 -7.152 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.537 -0.539 -7.582 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.576 -2.458 -7.323 1.00 0.00 O ATOM 0 H ASP A 61 -13.789 -0.819 -7.596 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.291 -0.369 -5.353 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.747 -2.792 -7.065 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -15.748 -2.964 -5.637 1.00 0.00 H new ATOM 877 N TYR A 62 -13.015 -2.694 -4.712 1.00 0.00 N ATOM 878 CA TYR A 62 -12.258 -3.324 -3.637 1.00 0.00 C ATOM 879 C TYR A 62 -11.873 -2.302 -2.571 1.00 0.00 C ATOM 880 O TYR A 62 -12.108 -2.511 -1.381 1.00 0.00 O ATOM 881 CB TYR A 62 -11.002 -3.995 -4.194 1.00 0.00 C ATOM 882 CG TYR A 62 -10.185 -4.716 -3.145 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.791 -5.559 -2.222 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.806 -4.555 -3.079 1.00 0.00 C ATOM 885 CE1 TYR A 62 -10.049 -6.219 -1.262 1.00 0.00 C ATOM 886 CE2 TYR A 62 -8.056 -5.212 -2.123 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.681 -6.042 -1.217 1.00 0.00 C ATOM 888 OH TYR A 62 -7.938 -6.699 -0.263 1.00 0.00 O ATOM 0 H TYR A 62 -12.825 -3.073 -5.640 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.892 -4.082 -3.176 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.293 -4.705 -4.968 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.378 -3.240 -4.672 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.861 -5.701 -2.256 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.313 -3.905 -3.787 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.536 -6.870 -0.551 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.985 -5.076 -2.086 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.992 -6.467 -0.368 1.00 0.00 H new ATOM 898 N ILE A 63 -11.279 -1.196 -3.009 1.00 0.00 N ATOM 899 CA ILE A 63 -10.862 -0.141 -2.094 1.00 0.00 C ATOM 900 C ILE A 63 -12.005 0.270 -1.172 1.00 0.00 C ATOM 901 O ILE A 63 -11.808 0.474 0.027 1.00 0.00 O ATOM 902 CB ILE A 63 -10.362 1.100 -2.857 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.169 0.734 -3.743 1.00 0.00 C ATOM 904 CG2 ILE A 63 -9.984 2.205 -1.882 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.008 0.137 -2.979 1.00 0.00 C ATOM 0 H ILE A 63 -11.076 -1.008 -3.991 1.00 0.00 H new ATOM 0 HA ILE A 63 -10.044 -0.545 -1.497 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.167 1.465 -3.495 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.496 0.025 -4.503 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.828 1.627 -4.266 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.633 3.075 -2.437 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -10.856 2.481 -1.289 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.192 1.852 -1.221 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.199 -0.098 -3.671 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.654 0.853 -2.237 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.333 -0.775 -2.478 1.00 0.00 H new ATOM 917 N LYS A 64 -13.201 0.390 -1.738 1.00 0.00 N ATOM 918 CA LYS A 64 -14.378 0.773 -0.967 1.00 0.00 C ATOM 919 C LYS A 64 -14.663 -0.244 0.134 1.00 0.00 C ATOM 920 O LYS A 64 -15.258 0.086 1.158 1.00 0.00 O ATOM 921 CB LYS A 64 -15.595 0.901 -1.885 1.00 0.00 C ATOM 922 CG LYS A 64 -15.462 2.004 -2.921 1.00 0.00 C ATOM 923 CD LYS A 64 -15.473 3.380 -2.275 1.00 0.00 C ATOM 924 CE LYS A 64 -16.864 3.759 -1.793 1.00 0.00 C ATOM 925 NZ LYS A 64 -17.640 4.474 -2.843 1.00 0.00 N ATOM 0 H LYS A 64 -13.381 0.227 -2.729 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.178 1.738 -0.502 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.756 -0.048 -2.396 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.480 1.090 -1.277 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -14.535 1.870 -3.479 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.279 1.931 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -14.779 3.394 -1.434 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.120 4.122 -2.991 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.402 2.860 -1.493 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.782 4.391 -0.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.582 4.715 -2.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.140 5.346 -3.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.741 3.862 -3.678 1.00 0.00 H new ATOM 939 N GLY A 65 -14.233 -1.483 -0.086 1.00 0.00 N ATOM 940 CA GLY A 65 -14.450 -2.529 0.897 1.00 0.00 C ATOM 941 C GLY A 65 -15.349 -3.634 0.378 1.00 0.00 C ATOM 942 O GLY A 65 -15.394 -4.724 0.947 1.00 0.00 O ATOM 0 H GLY A 65 -13.739 -1.781 -0.927 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.490 -2.953 1.190 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.893 -2.095 1.793 1.00 0.00 H new ATOM 946 N ARG A 66 -16.067 -3.352 -0.704 1.00 0.00 N ATOM 947 CA ARG A 66 -16.970 -4.330 -1.298 1.00 0.00 C ATOM 948 C ARG A 66 -16.712 -4.471 -2.795 1.00 0.00 C ATOM 949 O ARG A 66 -17.135 -3.632 -3.591 1.00 0.00 O ATOM 950 CB ARG A 66 -18.425 -3.923 -1.057 1.00 0.00 C ATOM 951 CG ARG A 66 -18.871 -4.082 0.387 1.00 0.00 C ATOM 952 CD ARG A 66 -19.319 -5.506 0.679 1.00 0.00 C ATOM 953 NE ARG A 66 -19.553 -5.725 2.104 1.00 0.00 N ATOM 954 CZ ARG A 66 -19.861 -6.908 2.624 1.00 0.00 C ATOM 955 NH1 ARG A 66 -19.970 -7.972 1.841 1.00 0.00 N ATOM 956 NH2 ARG A 66 -20.060 -7.028 3.931 1.00 0.00 N ATOM 0 H ARG A 66 -16.041 -2.454 -1.187 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.785 -5.293 -0.823 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.557 -2.883 -1.357 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -19.072 -4.524 -1.696 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.051 -3.813 1.054 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.689 -3.392 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.233 -5.719 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -18.561 -6.204 0.325 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.476 -4.926 2.734 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.817 -7.884 0.836 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -20.207 -8.879 2.243 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -19.976 -6.212 4.537 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.296 -7.937 4.330 1.00 0.00 H new ATOM 970 N CYS A 67 -16.013 -5.536 -3.172 1.00 0.00 N ATOM 971 CA CYS A 67 -15.696 -5.788 -4.572 1.00 0.00 C ATOM 972 C CYS A 67 -16.446 -7.013 -5.088 1.00 0.00 C ATOM 973 O CYS A 67 -16.012 -8.147 -4.893 1.00 0.00 O ATOM 974 CB CYS A 67 -14.190 -5.987 -4.748 1.00 0.00 C ATOM 975 SG CYS A 67 -13.735 -6.956 -6.223 1.00 0.00 S ATOM 0 H CYS A 67 -15.655 -6.239 -2.526 1.00 0.00 H new ATOM 0 HA CYS A 67 -16.011 -4.920 -5.152 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.710 -5.010 -4.806 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.794 -6.485 -3.863 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.427 -8.056 -6.250 1.00 0.00 H new ATOM 980 N MET A 68 -17.575 -6.774 -5.748 1.00 0.00 N ATOM 981 CA MET A 68 -18.385 -7.857 -6.293 1.00 0.00 C ATOM 982 C MET A 68 -18.691 -7.618 -7.768 1.00 0.00 C ATOM 983 O MET A 68 -19.746 -8.014 -8.265 1.00 0.00 O ATOM 984 CB MET A 68 -19.689 -7.994 -5.505 1.00 0.00 C ATOM 985 CG MET A 68 -20.307 -9.381 -5.588 1.00 0.00 C ATOM 986 SD MET A 68 -19.344 -10.623 -4.705 1.00 0.00 S ATOM 987 CE MET A 68 -19.024 -11.799 -6.017 1.00 0.00 C ATOM 0 H MET A 68 -17.949 -5.840 -5.918 1.00 0.00 H new ATOM 0 HA MET A 68 -17.816 -8.783 -6.204 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.499 -7.752 -4.459 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.407 -7.263 -5.876 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.316 -9.350 -5.178 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.397 -9.673 -6.634 1.00 0.00 H new ATOM 0 HE1 MET A 68 -18.435 -12.629 -5.626 1.00 0.00 H new ATOM 0 HE2 MET A 68 -19.970 -12.176 -6.406 1.00 0.00 H new ATOM 0 HE3 MET A 68 -18.472 -11.308 -6.819 1.00 0.00 H new ATOM 997 N ARG A 69 -17.763 -6.967 -8.462 1.00 0.00 N ATOM 998 CA ARG A 69 -17.935 -6.674 -9.880 1.00 0.00 C ATOM 999 C ARG A 69 -18.126 -7.958 -10.682 1.00 0.00 C ATOM 1000 O ARG A 69 -17.853 -9.053 -10.191 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.727 -5.902 -10.413 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.588 -4.507 -9.827 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.461 -3.733 -10.492 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.855 -3.204 -11.795 1.00 0.00 N ATOM 1005 CZ ARG A 69 -15.084 -2.411 -12.530 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -13.884 -2.057 -12.093 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -15.513 -1.971 -13.706 1.00 0.00 N ATOM 0 H ARG A 69 -16.885 -6.633 -8.066 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.829 -6.060 -9.992 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.821 -6.469 -10.198 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.806 -5.825 -11.497 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.525 -3.965 -9.950 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.399 -4.578 -8.756 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.154 -2.911 -9.845 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.595 -4.384 -10.612 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.773 -3.458 -12.161 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.550 -2.394 -11.190 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.294 -1.448 -12.660 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.436 -2.242 -14.046 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -14.920 -1.362 -14.270 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.598 -7.815 -11.916 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.826 -8.964 -12.784 1.00 0.00 C ATOM 1023 C GLU A 70 -17.508 -9.640 -13.151 1.00 0.00 C ATOM 1024 O GLU A 70 -16.803 -9.200 -14.060 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.561 -8.533 -14.055 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.324 -9.661 -14.729 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.314 -9.160 -15.763 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -20.887 -8.455 -16.701 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -22.516 -9.473 -15.634 1.00 0.00 O ATOM 0 H GLU A 70 -18.830 -6.915 -12.337 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.443 -9.680 -12.241 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.257 -7.732 -13.808 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -18.839 -8.122 -14.760 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -19.616 -10.338 -15.207 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -20.856 -10.238 -13.972 1.00 0.00 H new ATOM 1036 N LYS A 71 -17.180 -10.711 -12.437 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.948 -11.450 -12.685 1.00 0.00 C ATOM 1038 C LYS A 71 -14.736 -10.526 -12.612 1.00 0.00 C ATOM 1039 O LYS A 71 -13.926 -10.474 -13.538 1.00 0.00 O ATOM 1040 CB LYS A 71 -16.003 -12.129 -14.056 1.00 0.00 C ATOM 1041 CG LYS A 71 -16.961 -13.306 -14.113 1.00 0.00 C ATOM 1042 CD LYS A 71 -16.416 -14.505 -13.354 1.00 0.00 C ATOM 1043 CE LYS A 71 -17.216 -15.764 -13.652 1.00 0.00 C ATOM 1044 NZ LYS A 71 -16.821 -16.377 -14.951 1.00 0.00 N ATOM 0 H LYS A 71 -17.751 -11.087 -11.680 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.849 -12.213 -11.913 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.299 -11.394 -14.805 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -15.003 -12.472 -14.323 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -17.923 -13.014 -13.692 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -17.139 -13.582 -15.152 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.372 -14.664 -13.624 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -16.441 -14.301 -12.283 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.068 -16.487 -12.849 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -18.279 -15.523 -13.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.389 -17.232 -15.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -16.985 -15.697 -15.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.813 -16.631 -14.923 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.617 -9.800 -11.506 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.504 -8.879 -11.311 1.00 0.00 C ATOM 1060 C CYS A 72 -12.185 -9.524 -11.728 1.00 0.00 C ATOM 1061 O CYS A 72 -11.879 -10.649 -11.333 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.429 -8.438 -9.848 1.00 0.00 C ATOM 1063 SG CYS A 72 -12.100 -7.243 -9.498 1.00 0.00 S ATOM 0 H CYS A 72 -15.278 -9.832 -10.730 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.675 -8.004 -11.938 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.384 -7.996 -9.564 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.286 -9.318 -9.221 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.650 -7.435 -8.293 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.407 -8.803 -12.528 1.00 0.00 N ATOM 1069 CA LYS A 73 -10.120 -9.302 -12.998 1.00 0.00 C ATOM 1070 C LYS A 73 -9.029 -8.252 -12.814 1.00 0.00 C ATOM 1071 O LYS A 73 -8.019 -8.264 -13.517 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.213 -9.704 -14.471 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.914 -8.674 -15.340 1.00 0.00 C ATOM 1074 CD LYS A 73 -9.934 -7.660 -15.904 1.00 0.00 C ATOM 1075 CE LYS A 73 -10.649 -6.568 -16.684 1.00 0.00 C ATOM 1076 NZ LYS A 73 -9.772 -5.386 -16.915 1.00 0.00 N ATOM 0 H LYS A 73 -11.646 -7.870 -12.865 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.860 -10.178 -12.404 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.207 -9.869 -14.858 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.744 -10.653 -14.547 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.429 -9.177 -16.158 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.675 -8.159 -14.753 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.363 -7.213 -15.090 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.220 -8.165 -16.554 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -10.983 -6.965 -17.643 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -11.541 -6.258 -16.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -9.985 -4.972 -17.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -9.942 -4.677 -16.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -8.776 -5.683 -16.888 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.240 -7.347 -11.865 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.274 -6.290 -11.590 1.00 0.00 C ATOM 1092 C TYR A 74 -7.393 -6.653 -10.398 1.00 0.00 C ATOM 1093 O TYR A 74 -7.751 -7.504 -9.583 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.997 -4.969 -11.320 1.00 0.00 C ATOM 1095 CG TYR A 74 -10.005 -4.602 -12.385 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -11.260 -5.199 -12.416 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.704 -3.660 -13.361 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -12.185 -4.868 -13.387 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -10.623 -3.321 -14.335 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.862 -3.928 -14.344 1.00 0.00 C ATOM 1101 OH TYR A 74 -12.780 -3.595 -15.314 1.00 0.00 O ATOM 0 H TYR A 74 -10.071 -7.324 -11.274 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.637 -6.177 -12.468 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.505 -5.032 -10.358 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.259 -4.171 -11.239 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.516 -5.934 -11.668 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.734 -3.184 -13.358 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -13.155 -5.342 -13.397 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.373 -2.585 -15.085 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.396 -2.918 -15.909 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.239 -6.000 -10.303 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.306 -6.253 -9.212 1.00 0.00 C ATOM 1113 C PHE A 75 -5.859 -5.729 -7.890 1.00 0.00 C ATOM 1114 O PHE A 75 -6.545 -4.707 -7.853 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.954 -5.599 -9.508 1.00 0.00 C ATOM 1116 CG PHE A 75 -3.005 -5.632 -8.344 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.299 -6.785 -8.041 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.820 -4.510 -7.552 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.425 -6.819 -6.971 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.946 -4.538 -6.482 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.249 -5.694 -6.190 1.00 0.00 C ATOM 0 H PHE A 75 -5.928 -5.292 -10.968 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.170 -7.331 -9.126 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.493 -6.104 -10.357 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.118 -4.563 -9.804 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.433 -7.668 -8.648 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.365 -3.604 -7.773 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.880 -7.724 -6.746 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.808 -3.656 -5.874 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.568 -5.718 -5.352 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.556 -6.437 -6.807 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.022 -6.044 -5.482 1.00 0.00 C ATOM 1133 C HIS A 76 -4.846 -5.789 -4.545 1.00 0.00 C ATOM 1134 O HIS A 76 -4.190 -6.714 -4.066 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.930 -7.126 -4.896 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.329 -7.087 -5.430 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.397 -7.673 -4.784 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.833 -6.527 -6.554 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.497 -7.476 -5.489 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.182 -6.783 -6.568 1.00 0.00 N ATOM 0 H HIS A 76 -4.990 -7.285 -6.821 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.590 -5.119 -5.584 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.497 -8.104 -5.105 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.960 -7.016 -3.812 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.346 -8.179 -3.900 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.277 -5.980 -7.301 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.486 -7.823 -5.227 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.569 -4.504 -4.278 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.470 -4.097 -3.397 1.00 0.00 C ATOM 1150 C PRO A 77 -3.739 -4.445 -1.937 1.00 0.00 C ATOM 1151 O PRO A 77 -4.867 -4.739 -1.541 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.410 -2.579 -3.582 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.786 -2.194 -4.005 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.309 -3.349 -4.814 1.00 0.00 C ATOM 0 HA PRO A 77 -2.539 -4.607 -3.644 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.126 -2.078 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.672 -2.301 -4.334 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.421 -2.004 -3.140 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.771 -1.279 -4.596 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.385 -3.470 -4.692 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.122 -3.211 -5.879 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.679 -4.413 -1.115 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.776 -4.721 0.315 1.00 0.00 C ATOM 1164 C PRO A 78 -3.533 -3.648 1.089 1.00 0.00 C ATOM 1165 O PRO A 78 -3.991 -2.661 0.514 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.314 -4.776 0.766 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.585 -3.915 -0.208 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.304 -4.072 -1.519 1.00 0.00 C ATOM 0 HA PRO A 78 -3.327 -5.644 0.497 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.200 -4.406 1.785 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.934 -5.797 0.754 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.585 -2.874 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.457 -4.221 -0.296 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.274 -3.154 -2.106 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.858 -4.857 -2.130 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.660 -3.847 2.397 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.359 -2.895 3.251 1.00 0.00 C ATOM 1178 C ALA A 79 -3.662 -1.539 3.246 1.00 0.00 C ATOM 1179 O ALA A 79 -4.192 -0.559 2.721 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.460 -3.433 4.670 1.00 0.00 C ATOM 0 H ALA A 79 -3.288 -4.660 2.888 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.365 -2.759 2.854 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.984 -2.711 5.296 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.009 -4.375 4.664 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.459 -3.599 5.068 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.471 -1.488 3.834 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.701 -0.251 3.897 1.00 0.00 C ATOM 1188 C HIS A 80 -1.885 0.569 2.624 1.00 0.00 C ATOM 1189 O HIS A 80 -2.210 1.756 2.679 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.218 -0.559 4.110 1.00 0.00 C ATOM 1191 CG HIS A 80 0.362 -1.462 3.065 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.250 -2.835 3.111 1.00 0.00 N ATOM 1193 CD2 HIS A 80 1.062 -1.180 1.941 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.857 -3.360 2.061 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.357 -2.377 1.335 1.00 0.00 N ATOM 0 H HIS A 80 -2.018 -2.289 4.274 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.068 0.334 4.741 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.341 0.377 4.121 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.088 -1.020 5.089 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.337 -0.197 1.587 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.931 -4.414 1.835 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.878 -2.488 0.465 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.674 -0.070 1.479 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.816 0.600 0.191 1.00 0.00 C ATOM 1205 C LEU A 81 -3.268 0.996 -0.060 1.00 0.00 C ATOM 1206 O LEU A 81 -3.565 2.158 -0.332 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.321 -0.308 -0.936 1.00 0.00 C ATOM 1208 CG LEU A 81 0.179 -0.257 -1.230 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.578 -1.386 -2.168 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.561 1.091 -1.822 1.00 0.00 C ATOM 0 H LEU A 81 -1.404 -1.052 1.416 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.210 1.506 0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.588 -1.336 -0.691 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.859 -0.048 -1.848 1.00 0.00 H new ATOM 0 HG LEU A 81 0.718 -0.385 -0.291 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.649 -1.334 -2.366 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.341 -2.344 -1.706 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.031 -1.290 -3.106 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.632 1.109 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.013 1.249 -2.751 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.312 1.883 -1.115 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.167 0.021 0.036 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.587 0.269 -0.179 1.00 0.00 C ATOM 1224 C GLN A 82 -5.991 1.635 0.368 1.00 0.00 C ATOM 1225 O GLN A 82 -6.807 2.336 -0.228 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.424 -0.826 0.484 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.736 -1.995 -0.437 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.653 -3.016 0.207 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.875 -2.939 0.076 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -7.068 -3.981 0.907 1.00 0.00 N ATOM 0 H GLN A 82 -3.937 -0.947 0.261 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.773 0.259 -1.253 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.893 -1.197 1.361 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.360 -0.393 0.837 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.200 -1.620 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.805 -2.481 -0.729 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.052 -4.007 0.990 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.635 -4.696 1.362 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.413 2.005 1.506 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.711 3.287 2.133 1.00 0.00 C ATOM 1241 C ALA A 83 -5.100 4.439 1.342 1.00 0.00 C ATOM 1242 O ALA A 83 -5.776 5.420 1.031 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.206 3.303 3.568 1.00 0.00 C ATOM 0 H ALA A 83 -4.736 1.435 2.013 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.793 3.418 2.139 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.435 4.266 4.024 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.693 2.509 4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.127 3.146 3.576 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.817 4.315 1.020 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.114 5.345 0.265 1.00 0.00 C ATOM 1251 C LYS A 84 -4.007 5.923 -0.828 1.00 0.00 C ATOM 1252 O LYS A 84 -3.943 7.116 -1.128 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.837 4.772 -0.354 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.623 4.872 0.553 1.00 0.00 C ATOM 1255 CD LYS A 84 0.653 5.078 -0.245 1.00 0.00 C ATOM 1256 CE LYS A 84 0.961 6.556 -0.433 1.00 0.00 C ATOM 1257 NZ LYS A 84 1.740 7.110 0.709 1.00 0.00 N ATOM 0 H LYS A 84 -3.242 3.510 1.271 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.848 6.147 0.954 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.005 3.725 -0.608 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.628 5.297 -1.286 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.755 5.700 1.250 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.538 3.964 1.150 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.485 4.594 0.266 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.555 4.599 -1.219 1.00 0.00 H new ATOM 0 HE2 LYS A 84 1.522 6.695 -1.357 1.00 0.00 H new ATOM 0 HE3 LYS A 84 0.029 7.111 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 1.930 8.119 0.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.194 7.000 1.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.641 6.598 0.795 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.838 5.072 -1.418 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.745 5.500 -2.476 1.00 0.00 C ATOM 1273 C ILE A 85 -6.999 6.145 -1.897 1.00 0.00 C ATOM 1274 O ILE A 85 -7.397 7.236 -2.309 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.158 4.319 -3.375 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.938 3.758 -4.108 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.224 4.758 -4.369 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.261 2.622 -3.374 1.00 0.00 C ATOM 0 H ILE A 85 -4.903 4.082 -1.182 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.206 6.233 -3.077 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.576 3.532 -2.747 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.245 3.410 -5.094 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.217 4.560 -4.263 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.506 3.913 -4.997 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.100 5.116 -3.828 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.831 5.560 -4.994 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.405 2.274 -3.952 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.923 2.970 -2.398 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.967 1.802 -3.242 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.619 5.466 -0.938 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.827 5.974 -0.298 1.00 0.00 C ATOM 1292 C LYS A 86 -8.707 7.468 -0.016 1.00 0.00 C ATOM 1293 O LYS A 86 -9.635 8.234 -0.271 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.095 5.218 1.005 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.964 3.985 0.826 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.405 3.414 2.163 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.369 2.454 2.728 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.992 1.402 3.577 1.00 0.00 N ATOM 0 H LYS A 86 -7.305 4.562 -0.586 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.662 5.817 -0.980 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.143 4.920 1.445 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.577 5.892 1.714 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.841 4.240 0.231 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.412 3.227 0.270 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.573 4.227 2.869 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.356 2.895 2.042 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.825 1.984 1.909 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -8.640 3.011 3.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.253 0.768 3.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.490 1.848 4.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -10.669 0.853 3.009 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.556 7.875 0.510 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.314 9.278 0.823 1.00 0.00 C ATOM 1314 C ALA A 87 -7.740 10.180 -0.331 1.00 0.00 C ATOM 1315 O ALA A 87 -8.538 11.098 -0.150 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.845 9.499 1.153 1.00 0.00 C ATOM 0 H ALA A 87 -6.777 7.253 0.728 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.915 9.539 1.694 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.678 10.551 1.385 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.570 8.890 2.014 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.233 9.215 0.297 1.00 0.00 H new