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 -172:sc= 0.721 USER MOD Set 1.2: A 67 CYS SG : rot -51:sc= 0.0803 USER MOD Set 1.3: A 72 CYS SG : rot 132:sc= 0.885 USER MOD Set 1.4: A 76 HIS : no HE2:sc= -3.78! C(o=-2.1!,f=-4.5!) USER MOD Set 2.1: A 62 TYR OH : rot 153:sc= -1.12 USER MOD Set 2.2: A 82 GLN : amide:sc= -2.47 K(o=-3.6,f=1.8) USER MOD Set 3.1: A 27 GLN : amide:sc= -0.979 X(o=-1.1,f=-1.1) USER MOD Set 3.2: A 54 ASN : amide:sc= -0.114 K(o=-1.1,f=-2) USER MOD Set 4.1: A 23 CYS SG : rot 124:sc= 1.31 USER MOD Set 4.2: A 31 CYS SG : rot 138:sc= 0.15 USER MOD Set 4.3: A 38 CYS SG : rot 120:sc= 0.993 USER MOD Set 4.4: A 42 HIS : no HD1:sc= -3.99! C(o=-1.5!,f=-4.1!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -166:sc=-0.00141 (180deg=-0.0949) USER MOD Single : A 30 ASN : amide:sc= -2.48 X(o=-2.5,f=-2.8) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0.00182 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 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -138:sc= -1.41 (180deg=-4.12!) 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= -12.8! C(o=-13!,f=-11!) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc=-0.00279 (180deg=-0.00279) USER MOD Single : A 86 LYS NZ :NH3+ -146:sc= -0.0869 (180deg=-1.47!) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -6.512 7.165 -10.865 1.00 0.00 N ATOM 217 CA THR A 17 -5.897 7.108 -9.544 1.00 0.00 C ATOM 218 C THR A 17 -5.716 5.666 -9.085 1.00 0.00 C ATOM 219 O THR A 17 -4.842 5.369 -8.270 1.00 0.00 O ATOM 220 CB THR A 17 -6.738 7.865 -8.500 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.076 7.846 -7.230 1.00 0.00 O ATOM 222 CG2 THR A 17 -8.121 7.246 -8.366 1.00 0.00 C ATOM 0 HA THR A 17 -4.921 7.585 -9.628 1.00 0.00 H new ATOM 0 HB THR A 17 -6.850 8.896 -8.835 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.617 8.331 -6.572 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.696 7.798 -7.623 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.634 7.289 -9.327 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.026 6.207 -8.052 1.00 0.00 H new ATOM 230 N ASP A 18 -6.546 4.773 -9.612 1.00 0.00 N ATOM 231 CA ASP A 18 -6.476 3.360 -9.257 1.00 0.00 C ATOM 232 C ASP A 18 -5.365 2.659 -10.032 1.00 0.00 C ATOM 233 O ASP A 18 -5.594 1.639 -10.682 1.00 0.00 O ATOM 234 CB ASP A 18 -7.816 2.676 -9.532 1.00 0.00 C ATOM 235 CG ASP A 18 -8.400 3.065 -10.876 1.00 0.00 C ATOM 236 OD1 ASP A 18 -8.703 4.261 -11.066 1.00 0.00 O ATOM 237 OD2 ASP A 18 -8.554 2.173 -11.737 1.00 0.00 O ATOM 0 H ASP A 18 -7.276 5.002 -10.287 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.252 3.289 -8.193 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.683 1.595 -9.496 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.522 2.936 -8.743 1.00 0.00 H new ATOM 242 N LYS A 19 -4.160 3.214 -9.960 1.00 0.00 N ATOM 243 CA LYS A 19 -3.011 2.644 -10.654 1.00 0.00 C ATOM 244 C LYS A 19 -1.824 2.493 -9.709 1.00 0.00 C ATOM 245 O LYS A 19 -1.460 3.431 -8.998 1.00 0.00 O ATOM 246 CB LYS A 19 -2.621 3.523 -11.845 1.00 0.00 C ATOM 247 CG LYS A 19 -2.532 5.001 -11.507 1.00 0.00 C ATOM 248 CD LYS A 19 -2.795 5.868 -12.726 1.00 0.00 C ATOM 249 CE LYS A 19 -1.502 6.235 -13.438 1.00 0.00 C ATOM 250 NZ LYS A 19 -0.719 7.249 -12.678 1.00 0.00 N ATOM 0 H LYS A 19 -3.953 4.059 -9.427 1.00 0.00 H new ATOM 0 HA LYS A 19 -3.291 1.655 -11.017 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.659 3.189 -12.233 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -3.351 3.385 -12.642 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.254 5.241 -10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -1.543 5.225 -11.107 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.453 5.339 -13.415 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.315 6.777 -12.422 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.897 5.339 -13.577 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -1.731 6.622 -14.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 0.021 7.647 -13.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.352 8.011 -12.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -0.278 6.799 -11.851 1.00 0.00 H new ATOM 264 N LEU A 20 -1.222 1.309 -9.706 1.00 0.00 N ATOM 265 CA LEU A 20 -0.073 1.037 -8.849 1.00 0.00 C ATOM 266 C LEU A 20 1.163 0.713 -9.682 1.00 0.00 C ATOM 267 O LEU A 20 1.113 -0.119 -10.587 1.00 0.00 O ATOM 268 CB LEU A 20 -0.383 -0.125 -7.903 1.00 0.00 C ATOM 269 CG LEU A 20 -0.997 0.254 -6.555 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.840 -0.890 -6.012 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.090 0.635 -5.561 1.00 0.00 C ATOM 0 H LEU A 20 -1.510 0.522 -10.287 1.00 0.00 H new ATOM 0 HA LEU A 20 0.132 1.932 -8.262 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.063 -0.809 -8.410 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.541 -0.673 -7.718 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.645 1.118 -6.703 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.269 -0.602 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.642 -1.116 -6.715 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.214 -1.772 -5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.366 0.902 -4.608 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.764 -0.210 -5.417 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.652 1.486 -5.945 1.00 0.00 H new ATOM 283 N GLU A 21 2.272 1.376 -9.368 1.00 0.00 N ATOM 284 CA GLU A 21 3.522 1.157 -10.087 1.00 0.00 C ATOM 285 C GLU A 21 4.154 -0.173 -9.687 1.00 0.00 C ATOM 286 O GLU A 21 4.549 -0.364 -8.536 1.00 0.00 O ATOM 287 CB GLU A 21 4.500 2.302 -9.815 1.00 0.00 C ATOM 288 CG GLU A 21 4.141 3.592 -10.532 1.00 0.00 C ATOM 289 CD GLU A 21 4.690 4.821 -9.833 1.00 0.00 C ATOM 290 OE1 GLU A 21 4.485 4.948 -8.608 1.00 0.00 O ATOM 291 OE2 GLU A 21 5.325 5.655 -10.511 1.00 0.00 O ATOM 0 H GLU A 21 2.330 2.068 -8.621 1.00 0.00 H new ATOM 0 HA GLU A 21 3.298 1.126 -11.153 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.536 2.491 -8.742 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.501 1.994 -10.118 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.526 3.556 -11.551 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.056 3.674 -10.604 1.00 0.00 H new ATOM 298 N VAL A 22 4.246 -1.090 -10.645 1.00 0.00 N ATOM 299 CA VAL A 22 4.830 -2.402 -10.393 1.00 0.00 C ATOM 300 C VAL A 22 6.308 -2.286 -10.035 1.00 0.00 C ATOM 301 O VAL A 22 7.063 -1.567 -10.692 1.00 0.00 O ATOM 302 CB VAL A 22 4.681 -3.326 -11.616 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.663 -4.484 -11.534 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.252 -3.835 -11.727 1.00 0.00 C ATOM 0 H VAL A 22 3.924 -0.948 -11.602 1.00 0.00 H new ATOM 0 HA VAL A 22 4.288 -2.834 -9.552 1.00 0.00 H new ATOM 0 HB VAL A 22 4.909 -2.751 -12.514 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.543 -5.126 -12.407 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.681 -4.096 -11.506 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.470 -5.061 -10.630 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.164 -4.486 -12.597 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.994 -4.394 -10.827 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.572 -2.990 -11.837 1.00 0.00 H new ATOM 314 N CYS A 23 6.715 -2.998 -8.990 1.00 0.00 N ATOM 315 CA CYS A 23 8.103 -2.976 -8.543 1.00 0.00 C ATOM 316 C CYS A 23 9.011 -3.666 -9.557 1.00 0.00 C ATOM 317 O CYS A 23 8.611 -4.628 -10.211 1.00 0.00 O ATOM 318 CB CYS A 23 8.232 -3.657 -7.179 1.00 0.00 C ATOM 319 SG CYS A 23 9.552 -2.972 -6.128 1.00 0.00 S ATOM 0 H CYS A 23 6.103 -3.598 -8.436 1.00 0.00 H new ATOM 0 HA CYS A 23 8.414 -1.935 -8.452 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.282 -3.573 -6.652 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.419 -4.720 -7.332 1.00 0.00 H new ATOM 0 HG CYS A 23 9.050 -2.598 -4.989 1.00 0.00 H new ATOM 324 N ARG A 24 10.237 -3.166 -9.680 1.00 0.00 N ATOM 325 CA ARG A 24 11.202 -3.733 -10.614 1.00 0.00 C ATOM 326 C ARG A 24 12.065 -4.789 -9.930 1.00 0.00 C ATOM 327 O ARG A 24 12.460 -5.776 -10.549 1.00 0.00 O ATOM 328 CB ARG A 24 12.091 -2.630 -11.194 1.00 0.00 C ATOM 329 CG ARG A 24 11.488 -1.936 -12.404 1.00 0.00 C ATOM 330 CD ARG A 24 12.562 -1.307 -13.277 1.00 0.00 C ATOM 331 NE ARG A 24 13.499 -2.301 -13.794 1.00 0.00 N ATOM 332 CZ ARG A 24 14.640 -2.618 -13.192 1.00 0.00 C ATOM 333 NH1 ARG A 24 14.983 -2.023 -12.058 1.00 0.00 N ATOM 334 NH2 ARG A 24 15.440 -3.533 -13.723 1.00 0.00 N ATOM 0 H ARG A 24 10.585 -2.370 -9.145 1.00 0.00 H new ATOM 0 HA ARG A 24 10.649 -4.209 -11.424 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.287 -1.888 -10.420 1.00 0.00 H new ATOM 0 HB3 ARG A 24 13.053 -3.060 -11.474 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.916 -2.655 -12.990 1.00 0.00 H new ATOM 0 HG3 ARG A 24 10.790 -1.167 -12.073 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.092 -0.784 -14.110 1.00 0.00 H new ATOM 0 HD3 ARG A 24 13.107 -0.561 -12.699 1.00 0.00 H new ATOM 0 HE ARG A 24 13.265 -2.778 -14.665 1.00 0.00 H new ATOM 0 HH11 ARG A 24 14.370 -1.320 -11.645 1.00 0.00 H new ATOM 0 HH12 ARG A 24 15.860 -2.269 -11.598 1.00 0.00 H new ATOM 0 HH21 ARG A 24 15.179 -3.994 -14.595 1.00 0.00 H new ATOM 0 HH22 ARG A 24 16.316 -3.775 -13.260 1.00 0.00 H new ATOM 348 N GLU A 25 12.352 -4.573 -8.650 1.00 0.00 N ATOM 349 CA GLU A 25 13.169 -5.506 -7.884 1.00 0.00 C ATOM 350 C GLU A 25 12.444 -6.836 -7.695 1.00 0.00 C ATOM 351 O GLU A 25 12.991 -7.900 -7.986 1.00 0.00 O ATOM 352 CB GLU A 25 13.523 -4.908 -6.520 1.00 0.00 C ATOM 353 CG GLU A 25 14.434 -3.696 -6.606 1.00 0.00 C ATOM 354 CD GLU A 25 15.701 -3.972 -7.392 1.00 0.00 C ATOM 355 OE1 GLU A 25 16.490 -4.839 -6.961 1.00 0.00 O ATOM 356 OE2 GLU A 25 15.903 -3.322 -8.439 1.00 0.00 O ATOM 0 H GLU A 25 12.031 -3.761 -8.123 1.00 0.00 H new ATOM 0 HA GLU A 25 14.087 -5.688 -8.443 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.604 -4.626 -6.007 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.006 -5.673 -5.912 1.00 0.00 H new ATOM 0 HG2 GLU A 25 13.894 -2.873 -7.073 1.00 0.00 H new ATOM 0 HG3 GLU A 25 14.699 -3.373 -5.599 1.00 0.00 H new ATOM 363 N PHE A 26 11.211 -6.766 -7.206 1.00 0.00 N ATOM 364 CA PHE A 26 10.410 -7.964 -6.977 1.00 0.00 C ATOM 365 C PHE A 26 10.406 -8.859 -8.212 1.00 0.00 C ATOM 366 O PHE A 26 10.545 -10.078 -8.108 1.00 0.00 O ATOM 367 CB PHE A 26 8.976 -7.581 -6.605 1.00 0.00 C ATOM 368 CG PHE A 26 7.963 -8.630 -6.965 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.390 -8.654 -8.226 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.584 -9.591 -6.042 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.458 -9.618 -8.561 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.652 -10.558 -6.372 1.00 0.00 C ATOM 373 CZ PHE A 26 6.088 -10.571 -7.632 1.00 0.00 C ATOM 0 H PHE A 26 10.744 -5.893 -6.960 1.00 0.00 H new ATOM 0 HA PHE A 26 10.856 -8.517 -6.151 1.00 0.00 H new ATOM 0 HB2 PHE A 26 8.926 -7.391 -5.533 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.716 -6.649 -7.106 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.675 -7.911 -8.956 1.00 0.00 H new ATOM 0 HD2 PHE A 26 8.021 -9.585 -5.054 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.020 -9.626 -9.548 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.365 -11.303 -5.644 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.359 -11.325 -7.891 1.00 0.00 H new ATOM 383 N GLN A 27 10.243 -8.246 -9.380 1.00 0.00 N ATOM 384 CA GLN A 27 10.218 -8.987 -10.635 1.00 0.00 C ATOM 385 C GLN A 27 11.403 -9.944 -10.726 1.00 0.00 C ATOM 386 O GLN A 27 11.251 -11.099 -11.122 1.00 0.00 O ATOM 387 CB GLN A 27 10.234 -8.023 -11.822 1.00 0.00 C ATOM 388 CG GLN A 27 8.913 -7.303 -12.039 1.00 0.00 C ATOM 389 CD GLN A 27 8.819 -6.655 -13.406 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.792 -6.628 -14.162 1.00 0.00 O ATOM 391 NE2 GLN A 27 7.645 -6.127 -13.733 1.00 0.00 N ATOM 0 H GLN A 27 10.126 -7.238 -9.483 1.00 0.00 H new ATOM 0 HA GLN A 27 9.299 -9.572 -10.664 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.020 -7.284 -11.668 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.489 -8.577 -12.726 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.094 -8.012 -11.920 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.789 -6.540 -11.270 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.865 -6.171 -13.077 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.523 -5.677 -14.640 1.00 0.00 H new ATOM 400 N ARG A 28 12.582 -9.454 -10.357 1.00 0.00 N ATOM 401 CA ARG A 28 13.793 -10.265 -10.398 1.00 0.00 C ATOM 402 C ARG A 28 14.106 -10.844 -9.022 1.00 0.00 C ATOM 403 O ARG A 28 15.256 -11.157 -8.716 1.00 0.00 O ATOM 404 CB ARG A 28 14.975 -9.429 -10.893 1.00 0.00 C ATOM 405 CG ARG A 28 15.277 -8.224 -10.018 1.00 0.00 C ATOM 406 CD ARG A 28 16.327 -7.325 -10.652 1.00 0.00 C ATOM 407 NE ARG A 28 17.684 -7.736 -10.302 1.00 0.00 N ATOM 408 CZ ARG A 28 18.756 -7.419 -11.019 1.00 0.00 C ATOM 409 NH1 ARG A 28 18.631 -6.690 -12.119 1.00 0.00 N ATOM 410 NH2 ARG A 28 19.958 -7.831 -10.635 1.00 0.00 N ATOM 0 H ARG A 28 12.724 -8.500 -10.026 1.00 0.00 H new ATOM 0 HA ARG A 28 13.625 -11.090 -11.090 1.00 0.00 H new ATOM 0 HB2 ARG A 28 15.861 -10.062 -10.943 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.769 -9.088 -11.908 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.362 -7.655 -9.851 1.00 0.00 H new ATOM 0 HG3 ARG A 28 15.626 -8.560 -9.042 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.212 -7.342 -11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.166 -6.296 -10.330 1.00 0.00 H new ATOM 0 HE ARG A 28 17.816 -8.297 -9.461 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.709 -6.371 -12.417 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.457 -6.448 -12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 28 20.059 -8.391 -9.789 1.00 0.00 H new ATOM 0 HH22 ARG A 28 20.781 -7.587 -11.186 1.00 0.00 H new ATOM 424 N GLY A 29 13.075 -10.983 -8.194 1.00 0.00 N ATOM 425 CA GLY A 29 13.261 -11.523 -6.860 1.00 0.00 C ATOM 426 C GLY A 29 14.375 -10.828 -6.104 1.00 0.00 C ATOM 427 O GLY A 29 15.209 -11.480 -5.476 1.00 0.00 O ATOM 0 H GLY A 29 12.114 -10.731 -8.424 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.331 -11.427 -6.300 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.483 -12.588 -6.930 1.00 0.00 H new ATOM 431 N ASN A 30 14.391 -9.501 -6.164 1.00 0.00 N ATOM 432 CA ASN A 30 15.414 -8.717 -5.481 1.00 0.00 C ATOM 433 C ASN A 30 14.814 -7.941 -4.312 1.00 0.00 C ATOM 434 O ASN A 30 15.415 -7.846 -3.242 1.00 0.00 O ATOM 435 CB ASN A 30 16.083 -7.750 -6.459 1.00 0.00 C ATOM 436 CG ASN A 30 17.276 -8.371 -7.161 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.213 -9.509 -7.627 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.371 -7.624 -7.239 1.00 0.00 N ATOM 0 H ASN A 30 13.707 -8.946 -6.678 1.00 0.00 H new ATOM 0 HA ASN A 30 16.164 -9.405 -5.091 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.354 -7.428 -7.203 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.405 -6.858 -5.921 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.205 -7.988 -7.699 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.378 -6.686 -6.839 1.00 0.00 H new ATOM 445 N CYS A 31 13.624 -7.388 -4.525 1.00 0.00 N ATOM 446 CA CYS A 31 12.941 -6.620 -3.490 1.00 0.00 C ATOM 447 C CYS A 31 12.814 -7.433 -2.205 1.00 0.00 C ATOM 448 O CYS A 31 12.256 -8.529 -2.204 1.00 0.00 O ATOM 449 CB CYS A 31 11.555 -6.192 -3.975 1.00 0.00 C ATOM 450 SG CYS A 31 10.939 -4.659 -3.207 1.00 0.00 S ATOM 0 H CYS A 31 13.113 -7.457 -5.405 1.00 0.00 H new ATOM 0 HA CYS A 31 13.535 -5.731 -3.280 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.586 -6.057 -5.056 1.00 0.00 H new ATOM 0 HB3 CYS A 31 10.847 -6.996 -3.774 1.00 0.00 H new ATOM 0 HG CYS A 31 10.377 -3.915 -4.113 1.00 0.00 H new ATOM 455 N ALA A 32 13.336 -6.886 -1.112 1.00 0.00 N ATOM 456 CA ALA A 32 13.279 -7.558 0.180 1.00 0.00 C ATOM 457 C ALA A 32 12.214 -6.936 1.076 1.00 0.00 C ATOM 458 O ALA A 32 11.803 -7.530 2.073 1.00 0.00 O ATOM 459 CB ALA A 32 14.639 -7.509 0.861 1.00 0.00 C ATOM 0 H ALA A 32 13.803 -5.979 -1.096 1.00 0.00 H new ATOM 0 HA ALA A 32 13.008 -8.600 0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.582 -8.015 1.825 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.378 -8.007 0.233 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.933 -6.470 1.013 1.00 0.00 H new ATOM 465 N ARG A 33 11.771 -5.736 0.715 1.00 0.00 N ATOM 466 CA ARG A 33 10.754 -5.032 1.488 1.00 0.00 C ATOM 467 C ARG A 33 9.376 -5.644 1.258 1.00 0.00 C ATOM 468 O ARG A 33 8.451 -5.430 2.040 1.00 0.00 O ATOM 469 CB ARG A 33 10.735 -3.549 1.114 1.00 0.00 C ATOM 470 CG ARG A 33 12.002 -2.806 1.504 1.00 0.00 C ATOM 471 CD ARG A 33 11.891 -1.320 1.202 1.00 0.00 C ATOM 472 NE ARG A 33 13.201 -0.677 1.130 1.00 0.00 N ATOM 473 CZ ARG A 33 13.400 0.528 0.608 1.00 0.00 C ATOM 474 NH1 ARG A 33 12.381 1.218 0.115 1.00 0.00 N ATOM 475 NH2 ARG A 33 14.622 1.046 0.579 1.00 0.00 N ATOM 0 H ARG A 33 12.100 -5.231 -0.108 1.00 0.00 H new ATOM 0 HA ARG A 33 11.004 -5.130 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.586 -3.456 0.038 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.881 -3.072 1.596 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.196 -2.949 2.567 1.00 0.00 H new ATOM 0 HG3 ARG A 33 12.852 -3.226 0.965 1.00 0.00 H new ATOM 0 HD2 ARG A 33 11.366 -1.180 0.257 1.00 0.00 H new ATOM 0 HD3 ARG A 33 11.292 -0.837 1.974 1.00 0.00 H new ATOM 0 HE ARG A 33 14.007 -1.181 1.501 1.00 0.00 H new ATOM 0 HH11 ARG A 33 11.440 0.824 0.136 1.00 0.00 H new ATOM 0 HH12 ARG A 33 12.537 2.143 -0.285 1.00 0.00 H new ATOM 0 HH21 ARG A 33 15.409 0.519 0.958 1.00 0.00 H new ATOM 0 HH22 ARG A 33 14.774 1.971 0.178 1.00 0.00 H new ATOM 489 N GLY A 34 9.246 -6.408 0.177 1.00 0.00 N ATOM 490 CA GLY A 34 7.977 -7.038 -0.138 1.00 0.00 C ATOM 491 C GLY A 34 6.855 -6.033 -0.303 1.00 0.00 C ATOM 492 O GLY A 34 7.013 -4.858 0.028 1.00 0.00 O ATOM 0 H GLY A 34 9.997 -6.602 -0.486 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.080 -7.616 -1.056 1.00 0.00 H new ATOM 0 HA3 GLY A 34 7.717 -7.741 0.654 1.00 0.00 H new ATOM 496 N GLU A 35 5.720 -6.494 -0.818 1.00 0.00 N ATOM 497 CA GLU A 35 4.568 -5.625 -1.029 1.00 0.00 C ATOM 498 C GLU A 35 4.028 -5.105 0.300 1.00 0.00 C ATOM 499 O GLU A 35 3.149 -4.244 0.333 1.00 0.00 O ATOM 500 CB GLU A 35 3.467 -6.374 -1.782 1.00 0.00 C ATOM 501 CG GLU A 35 3.131 -7.728 -1.180 1.00 0.00 C ATOM 502 CD GLU A 35 4.020 -8.838 -1.708 1.00 0.00 C ATOM 503 OE1 GLU A 35 3.889 -9.184 -2.901 1.00 0.00 O ATOM 504 OE2 GLU A 35 4.844 -9.360 -0.929 1.00 0.00 O ATOM 0 H GLU A 35 5.573 -7.464 -1.097 1.00 0.00 H new ATOM 0 HA GLU A 35 4.892 -4.774 -1.627 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.567 -5.760 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.777 -6.513 -2.818 1.00 0.00 H new ATOM 0 HG2 GLU A 35 3.229 -7.674 -0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.090 -7.968 -1.394 1.00 0.00 H new ATOM 511 N THR A 36 4.561 -5.636 1.397 1.00 0.00 N ATOM 512 CA THR A 36 4.133 -5.228 2.729 1.00 0.00 C ATOM 513 C THR A 36 4.909 -4.006 3.206 1.00 0.00 C ATOM 514 O THR A 36 4.348 -3.108 3.834 1.00 0.00 O ATOM 515 CB THR A 36 4.312 -6.367 3.750 1.00 0.00 C ATOM 516 OG1 THR A 36 5.646 -6.882 3.680 1.00 0.00 O ATOM 517 CG2 THR A 36 3.316 -7.488 3.491 1.00 0.00 C ATOM 0 H THR A 36 5.290 -6.350 1.388 1.00 0.00 H new ATOM 0 HA THR A 36 3.075 -4.977 2.658 1.00 0.00 H new ATOM 0 HB THR A 36 4.130 -5.964 4.746 1.00 0.00 H new ATOM 0 HG1 THR A 36 5.752 -7.605 4.333 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.462 -8.281 4.225 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.301 -7.099 3.574 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.471 -7.888 2.489 1.00 0.00 H new ATOM 525 N ASP A 37 6.203 -3.978 2.904 1.00 0.00 N ATOM 526 CA ASP A 37 7.057 -2.865 3.302 1.00 0.00 C ATOM 527 C ASP A 37 7.463 -2.032 2.089 1.00 0.00 C ATOM 528 O ASP A 37 8.245 -1.088 2.205 1.00 0.00 O ATOM 529 CB ASP A 37 8.303 -3.381 4.022 1.00 0.00 C ATOM 530 CG ASP A 37 8.958 -2.318 4.881 1.00 0.00 C ATOM 531 OD1 ASP A 37 8.228 -1.608 5.605 1.00 0.00 O ATOM 532 OD2 ASP A 37 10.199 -2.194 4.830 1.00 0.00 O ATOM 0 H ASP A 37 6.683 -4.713 2.385 1.00 0.00 H new ATOM 0 HA ASP A 37 6.491 -2.231 3.984 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.032 -4.232 4.647 1.00 0.00 H new ATOM 0 HB3 ASP A 37 9.021 -3.742 3.286 1.00 0.00 H new ATOM 537 N CYS A 38 6.928 -2.389 0.927 1.00 0.00 N ATOM 538 CA CYS A 38 7.235 -1.677 -0.308 1.00 0.00 C ATOM 539 C CYS A 38 6.020 -0.900 -0.804 1.00 0.00 C ATOM 540 O CYS A 38 4.918 -1.441 -0.894 1.00 0.00 O ATOM 541 CB CYS A 38 7.701 -2.659 -1.385 1.00 0.00 C ATOM 542 SG CYS A 38 8.521 -1.869 -2.807 1.00 0.00 S ATOM 0 H CYS A 38 6.279 -3.168 0.814 1.00 0.00 H new ATOM 0 HA CYS A 38 8.037 -0.969 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.388 -3.376 -0.935 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.840 -3.224 -1.743 1.00 0.00 H new ATOM 0 HG CYS A 38 9.735 -2.321 -2.914 1.00 0.00 H new ATOM 547 N ARG A 39 6.229 0.373 -1.125 1.00 0.00 N ATOM 548 CA ARG A 39 5.152 1.226 -1.612 1.00 0.00 C ATOM 549 C ARG A 39 4.659 0.754 -2.976 1.00 0.00 C ATOM 550 O ARG A 39 3.513 1.001 -3.354 1.00 0.00 O ATOM 551 CB ARG A 39 5.623 2.678 -1.702 1.00 0.00 C ATOM 552 CG ARG A 39 6.209 3.210 -0.405 1.00 0.00 C ATOM 553 CD ARG A 39 6.604 4.673 -0.530 1.00 0.00 C ATOM 554 NE ARG A 39 5.451 5.563 -0.425 1.00 0.00 N ATOM 555 CZ ARG A 39 5.538 6.841 -0.073 1.00 0.00 C ATOM 556 NH1 ARG A 39 6.718 7.376 0.207 1.00 0.00 N ATOM 557 NH2 ARG A 39 4.442 7.586 0.001 1.00 0.00 N ATOM 0 H ARG A 39 7.135 0.836 -1.056 1.00 0.00 H new ATOM 0 HA ARG A 39 4.325 1.163 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.372 2.760 -2.490 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.782 3.306 -1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 39 5.481 3.096 0.398 1.00 0.00 H new ATOM 0 HG3 ARG A 39 7.082 2.619 -0.130 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.325 4.921 0.248 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.100 4.834 -1.487 1.00 0.00 H new ATOM 0 HE ARG A 39 4.528 5.182 -0.633 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.562 6.806 0.152 1.00 0.00 H new ATOM 0 HH12 ARG A 39 6.782 8.358 0.477 1.00 0.00 H new ATOM 0 HH21 ARG A 39 3.532 7.177 -0.212 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.510 8.567 0.271 1.00 0.00 H new ATOM 571 N PHE A 40 5.531 0.074 -3.712 1.00 0.00 N ATOM 572 CA PHE A 40 5.186 -0.432 -5.036 1.00 0.00 C ATOM 573 C PHE A 40 4.479 -1.781 -4.935 1.00 0.00 C ATOM 574 O PHE A 40 4.796 -2.596 -4.070 1.00 0.00 O ATOM 575 CB PHE A 40 6.442 -0.564 -5.899 1.00 0.00 C ATOM 576 CG PHE A 40 7.110 0.749 -6.192 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.449 1.732 -6.911 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.398 1.001 -5.748 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.060 2.941 -7.182 1.00 0.00 C ATOM 580 CE2 PHE A 40 9.014 2.208 -6.016 1.00 0.00 C ATOM 581 CZ PHE A 40 8.344 3.180 -6.735 1.00 0.00 C ATOM 0 H PHE A 40 6.483 -0.140 -3.414 1.00 0.00 H new ATOM 0 HA PHE A 40 4.507 0.280 -5.504 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.152 -1.219 -5.395 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.177 -1.046 -6.840 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.444 1.551 -7.264 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.926 0.245 -5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 40 6.533 3.699 -7.743 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.018 2.392 -5.664 1.00 0.00 H new ATOM 0 HZ PHE A 40 8.824 4.124 -6.947 1.00 0.00 H new ATOM 591 N ALA A 41 3.520 -2.007 -5.826 1.00 0.00 N ATOM 592 CA ALA A 41 2.769 -3.256 -5.840 1.00 0.00 C ATOM 593 C ALA A 41 3.592 -4.385 -6.451 1.00 0.00 C ATOM 594 O ALA A 41 4.301 -4.186 -7.438 1.00 0.00 O ATOM 595 CB ALA A 41 1.464 -3.080 -6.603 1.00 0.00 C ATOM 0 H ALA A 41 3.245 -1.341 -6.548 1.00 0.00 H new ATOM 0 HA ALA A 41 2.541 -3.524 -4.809 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.914 -4.021 -6.605 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.862 -2.309 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.680 -2.784 -7.630 1.00 0.00 H new ATOM 601 N HIS A 42 3.495 -5.570 -5.857 1.00 0.00 N ATOM 602 CA HIS A 42 4.232 -6.732 -6.343 1.00 0.00 C ATOM 603 C HIS A 42 3.296 -7.720 -7.033 1.00 0.00 C ATOM 604 O HIS A 42 2.578 -8.485 -6.388 1.00 0.00 O ATOM 605 CB HIS A 42 4.959 -7.421 -5.189 1.00 0.00 C ATOM 606 CG HIS A 42 6.074 -6.605 -4.611 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.203 -7.164 -4.050 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.231 -5.264 -4.511 1.00 0.00 C ATOM 609 CE1 HIS A 42 8.005 -6.202 -3.628 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.438 -5.040 -3.897 1.00 0.00 N ATOM 0 H HIS A 42 2.914 -5.751 -5.039 1.00 0.00 H new ATOM 0 HA HIS A 42 4.967 -6.387 -7.070 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.240 -7.648 -4.402 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.360 -8.372 -5.539 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.536 -4.511 -4.851 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.961 -6.342 -3.145 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.833 -4.124 -3.683 1.00 0.00 H new ATOM 618 N PRO A 43 3.301 -7.704 -8.374 1.00 0.00 N ATOM 619 CA PRO A 43 2.457 -8.592 -9.179 1.00 0.00 C ATOM 620 C PRO A 43 2.904 -10.047 -9.097 1.00 0.00 C ATOM 621 O PRO A 43 3.965 -10.410 -9.603 1.00 0.00 O ATOM 622 CB PRO A 43 2.636 -8.057 -10.602 1.00 0.00 C ATOM 623 CG PRO A 43 3.966 -7.386 -10.590 1.00 0.00 C ATOM 624 CD PRO A 43 4.131 -6.818 -9.207 1.00 0.00 C ATOM 0 HA PRO A 43 1.422 -8.593 -8.836 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.606 -8.863 -11.335 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.842 -7.358 -10.865 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.762 -8.094 -10.819 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.013 -6.599 -11.343 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.174 -6.829 -8.890 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.792 -5.783 -9.154 1.00 0.00 H new ATOM 696 N ILE A 49 1.060 -6.681 -16.902 1.00 0.00 N ATOM 697 CA ILE A 49 2.069 -5.641 -16.742 1.00 0.00 C ATOM 698 C ILE A 49 2.454 -5.038 -18.089 1.00 0.00 C ATOM 699 O ILE A 49 2.745 -5.759 -19.043 1.00 0.00 O ATOM 700 CB ILE A 49 3.335 -6.185 -16.055 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.007 -6.663 -14.639 1.00 0.00 C ATOM 702 CG2 ILE A 49 4.420 -5.119 -16.023 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.135 -7.429 -13.984 1.00 0.00 C ATOM 0 HA ILE A 49 1.628 -4.868 -16.112 1.00 0.00 H new ATOM 0 HB ILE A 49 3.706 -7.035 -16.628 1.00 0.00 H new ATOM 0 HG12 ILE A 49 2.758 -5.800 -14.021 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.121 -7.296 -14.674 1.00 0.00 H new ATOM 0 HG21 ILE A 49 5.309 -5.519 -15.534 1.00 0.00 H new ATOM 0 HG22 ILE A 49 4.669 -4.822 -17.042 1.00 0.00 H new ATOM 0 HG23 ILE A 49 4.061 -4.251 -15.470 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.833 -7.737 -12.983 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.370 -8.311 -14.580 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.017 -6.792 -13.917 1.00 0.00 H new ATOM 715 N ASP A 50 2.455 -3.711 -18.158 1.00 0.00 N ATOM 716 CA ASP A 50 2.808 -3.010 -19.387 1.00 0.00 C ATOM 717 C ASP A 50 4.270 -2.577 -19.365 1.00 0.00 C ATOM 718 O ASP A 50 4.708 -1.877 -18.451 1.00 0.00 O ATOM 719 CB ASP A 50 1.904 -1.792 -19.582 1.00 0.00 C ATOM 720 CG ASP A 50 1.686 -1.460 -21.045 1.00 0.00 C ATOM 721 OD1 ASP A 50 1.862 -2.362 -21.891 1.00 0.00 O ATOM 722 OD2 ASP A 50 1.338 -0.299 -21.344 1.00 0.00 O ATOM 0 H ASP A 50 2.215 -3.100 -17.378 1.00 0.00 H new ATOM 0 HA ASP A 50 2.664 -3.696 -20.222 1.00 0.00 H new ATOM 0 HB2 ASP A 50 0.941 -1.979 -19.108 1.00 0.00 H new ATOM 0 HB3 ASP A 50 2.345 -0.932 -19.079 1.00 0.00 H new ATOM 727 N THR A 51 5.023 -2.998 -20.377 1.00 0.00 N ATOM 728 CA THR A 51 6.436 -2.655 -20.473 1.00 0.00 C ATOM 729 C THR A 51 6.622 -1.211 -20.925 1.00 0.00 C ATOM 730 O THR A 51 7.747 -0.759 -21.141 1.00 0.00 O ATOM 731 CB THR A 51 7.175 -3.587 -21.452 1.00 0.00 C ATOM 732 OG1 THR A 51 6.606 -3.472 -22.761 1.00 0.00 O ATOM 733 CG2 THR A 51 7.098 -5.033 -20.985 1.00 0.00 C ATOM 0 H THR A 51 4.677 -3.577 -21.142 1.00 0.00 H new ATOM 0 HA THR A 51 6.859 -2.778 -19.476 1.00 0.00 H new ATOM 0 HB THR A 51 8.223 -3.288 -21.484 1.00 0.00 H new ATOM 0 HG1 THR A 51 7.082 -4.066 -23.378 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.627 -5.672 -21.692 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.558 -5.122 -20.001 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.054 -5.342 -20.927 1.00 0.00 H new ATOM 741 N SER A 52 5.513 -0.492 -21.065 1.00 0.00 N ATOM 742 CA SER A 52 5.555 0.901 -21.495 1.00 0.00 C ATOM 743 C SER A 52 5.547 1.840 -20.293 1.00 0.00 C ATOM 744 O SER A 52 6.267 2.839 -20.266 1.00 0.00 O ATOM 745 CB SER A 52 4.366 1.211 -22.407 1.00 0.00 C ATOM 746 OG SER A 52 4.389 0.399 -23.567 1.00 0.00 O ATOM 0 H SER A 52 4.575 -0.851 -20.887 1.00 0.00 H new ATOM 0 HA SER A 52 6.480 1.057 -22.050 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.435 1.049 -21.864 1.00 0.00 H new ATOM 0 HB3 SER A 52 4.388 2.262 -22.694 1.00 0.00 H new ATOM 0 HG SER A 52 3.618 0.615 -24.133 1.00 0.00 H new ATOM 752 N ASP A 53 4.727 1.513 -19.300 1.00 0.00 N ATOM 753 CA ASP A 53 4.625 2.326 -18.093 1.00 0.00 C ATOM 754 C ASP A 53 4.940 1.498 -16.852 1.00 0.00 C ATOM 755 O ASP A 53 5.427 2.023 -15.851 1.00 0.00 O ATOM 756 CB ASP A 53 3.225 2.930 -17.977 1.00 0.00 C ATOM 757 CG ASP A 53 2.976 4.016 -19.005 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.518 5.128 -18.837 1.00 0.00 O ATOM 759 OD2 ASP A 53 2.237 3.755 -19.978 1.00 0.00 O ATOM 0 H ASP A 53 4.123 0.691 -19.307 1.00 0.00 H new ATOM 0 HA ASP A 53 5.355 3.132 -18.164 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.481 2.142 -18.098 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.092 3.343 -16.977 1.00 0.00 H new ATOM 764 N ASN A 54 4.658 0.201 -16.924 1.00 0.00 N ATOM 765 CA ASN A 54 4.910 -0.699 -15.805 1.00 0.00 C ATOM 766 C ASN A 54 3.944 -0.423 -14.657 1.00 0.00 C ATOM 767 O ASN A 54 4.326 -0.461 -13.486 1.00 0.00 O ATOM 768 CB ASN A 54 6.353 -0.552 -15.320 1.00 0.00 C ATOM 769 CG ASN A 54 6.889 -1.829 -14.702 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.595 -2.929 -15.171 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.678 -1.689 -13.644 1.00 0.00 N ATOM 0 H ASN A 54 4.255 -0.250 -17.745 1.00 0.00 H new ATOM 0 HA ASN A 54 4.753 -1.721 -16.150 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.987 -0.263 -16.158 1.00 0.00 H new ATOM 0 HB3 ASN A 54 6.407 0.253 -14.587 1.00 0.00 H new ATOM 0 HD21 ASN A 54 8.067 -2.513 -13.186 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.895 -0.758 -13.289 1.00 0.00 H new ATOM 778 N THR A 55 2.690 -0.145 -14.999 1.00 0.00 N ATOM 779 CA THR A 55 1.669 0.138 -13.998 1.00 0.00 C ATOM 780 C THR A 55 0.530 -0.872 -14.073 1.00 0.00 C ATOM 781 O THR A 55 0.188 -1.358 -15.151 1.00 0.00 O ATOM 782 CB THR A 55 1.094 1.557 -14.168 1.00 0.00 C ATOM 783 OG1 THR A 55 0.691 1.762 -15.526 1.00 0.00 O ATOM 784 CG2 THR A 55 2.121 2.607 -13.773 1.00 0.00 C ATOM 0 H THR A 55 2.357 -0.110 -15.962 1.00 0.00 H new ATOM 0 HA THR A 55 2.153 0.064 -13.024 1.00 0.00 H new ATOM 0 HB THR A 55 0.228 1.656 -13.514 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.325 2.666 -15.626 1.00 0.00 H new ATOM 0 HG21 THR A 55 1.693 3.601 -13.901 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.403 2.465 -12.730 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.004 2.508 -14.405 1.00 0.00 H new ATOM 792 N VAL A 56 -0.055 -1.185 -12.921 1.00 0.00 N ATOM 793 CA VAL A 56 -1.157 -2.137 -12.856 1.00 0.00 C ATOM 794 C VAL A 56 -2.437 -1.463 -12.375 1.00 0.00 C ATOM 795 O VAL A 56 -2.401 -0.559 -11.539 1.00 0.00 O ATOM 796 CB VAL A 56 -0.828 -3.315 -11.920 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.263 -4.187 -12.523 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.417 -2.805 -10.547 1.00 0.00 C ATOM 0 H VAL A 56 0.216 -0.793 -12.019 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.306 -2.517 -13.867 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.724 -3.925 -11.802 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.482 -5.014 -11.848 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.074 -4.581 -13.482 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.164 -3.592 -12.672 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.188 -3.651 -9.898 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.465 -2.172 -10.643 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.233 -2.226 -10.114 1.00 0.00 H new ATOM 808 N THR A 57 -3.571 -1.909 -12.908 1.00 0.00 N ATOM 809 CA THR A 57 -4.864 -1.349 -12.534 1.00 0.00 C ATOM 810 C THR A 57 -5.274 -1.799 -11.137 1.00 0.00 C ATOM 811 O THR A 57 -4.943 -2.904 -10.707 1.00 0.00 O ATOM 812 CB THR A 57 -5.962 -1.754 -13.535 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.502 -1.551 -14.876 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.231 -0.949 -13.302 1.00 0.00 C ATOM 0 H THR A 57 -3.620 -2.657 -13.600 1.00 0.00 H new ATOM 0 HA THR A 57 -4.755 -0.265 -12.546 1.00 0.00 H new ATOM 0 HB THR A 57 -6.188 -2.810 -13.385 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.205 -1.813 -15.506 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.992 -1.253 -14.021 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.595 -1.129 -12.291 1.00 0.00 H new ATOM 0 HG23 THR A 57 -7.017 0.112 -13.427 1.00 0.00 H new ATOM 822 N VAL A 58 -5.998 -0.936 -10.431 1.00 0.00 N ATOM 823 CA VAL A 58 -6.456 -1.245 -9.082 1.00 0.00 C ATOM 824 C VAL A 58 -7.977 -1.324 -9.022 1.00 0.00 C ATOM 825 O VAL A 58 -8.675 -0.419 -9.480 1.00 0.00 O ATOM 826 CB VAL A 58 -5.967 -0.194 -8.068 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.714 -0.335 -6.751 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.466 -0.317 -7.856 1.00 0.00 C ATOM 0 H VAL A 58 -6.280 -0.017 -10.772 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.034 -2.215 -8.820 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.173 0.798 -8.470 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.355 0.416 -6.047 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.781 -0.192 -6.921 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.542 -1.330 -6.340 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.137 0.433 -7.137 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.233 -1.311 -7.476 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.951 -0.161 -8.804 1.00 0.00 H new ATOM 838 N CYS A 59 -8.486 -2.412 -8.455 1.00 0.00 N ATOM 839 CA CYS A 59 -9.925 -2.611 -8.334 1.00 0.00 C ATOM 840 C CYS A 59 -10.548 -1.545 -7.437 1.00 0.00 C ATOM 841 O CYS A 59 -10.343 -1.544 -6.224 1.00 0.00 O ATOM 842 CB CYS A 59 -10.224 -4.003 -7.774 1.00 0.00 C ATOM 843 SG CYS A 59 -11.977 -4.486 -7.880 1.00 0.00 S ATOM 0 H CYS A 59 -7.922 -3.171 -8.071 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.363 -2.526 -9.328 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.623 -4.736 -8.312 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.911 -4.038 -6.731 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.160 -5.600 -7.235 1.00 0.00 H new ATOM 848 N MET A 60 -11.309 -0.640 -8.044 1.00 0.00 N ATOM 849 CA MET A 60 -11.963 0.430 -7.299 1.00 0.00 C ATOM 850 C MET A 60 -12.842 -0.138 -6.190 1.00 0.00 C ATOM 851 O MET A 60 -12.688 0.216 -5.021 1.00 0.00 O ATOM 852 CB MET A 60 -12.805 1.294 -8.241 1.00 0.00 C ATOM 853 CG MET A 60 -13.299 2.582 -7.603 1.00 0.00 C ATOM 854 SD MET A 60 -12.067 3.898 -7.651 1.00 0.00 S ATOM 855 CE MET A 60 -11.045 3.456 -6.249 1.00 0.00 C ATOM 0 H MET A 60 -11.488 -0.626 -9.048 1.00 0.00 H new ATOM 0 HA MET A 60 -11.189 1.048 -6.844 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.213 1.538 -9.123 1.00 0.00 H new ATOM 0 HB3 MET A 60 -13.663 0.715 -8.583 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.201 2.915 -8.117 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.576 2.387 -6.567 1.00 0.00 H new ATOM 0 HE1 MET A 60 -10.786 4.355 -5.690 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.592 2.771 -5.601 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.134 2.972 -6.601 1.00 0.00 H new ATOM 865 N ASP A 61 -13.763 -1.020 -6.563 1.00 0.00 N ATOM 866 CA ASP A 61 -14.665 -1.638 -5.599 1.00 0.00 C ATOM 867 C ASP A 61 -13.892 -2.188 -4.405 1.00 0.00 C ATOM 868 O ASP A 61 -14.097 -1.760 -3.268 1.00 0.00 O ATOM 869 CB ASP A 61 -15.467 -2.758 -6.263 1.00 0.00 C ATOM 870 CG ASP A 61 -16.834 -2.944 -5.634 1.00 0.00 C ATOM 871 OD1 ASP A 61 -17.279 -2.034 -4.904 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.458 -3.999 -5.872 1.00 0.00 O ATOM 0 H ASP A 61 -13.904 -1.323 -7.527 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.353 -0.872 -5.241 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -15.586 -2.536 -7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -14.908 -3.691 -6.193 1.00 0.00 H new ATOM 877 N TYR A 62 -13.002 -3.138 -4.670 1.00 0.00 N ATOM 878 CA TYR A 62 -12.200 -3.750 -3.617 1.00 0.00 C ATOM 879 C TYR A 62 -11.800 -2.717 -2.568 1.00 0.00 C ATOM 880 O TYR A 62 -11.977 -2.933 -1.368 1.00 0.00 O ATOM 881 CB TYR A 62 -10.950 -4.400 -4.212 1.00 0.00 C ATOM 882 CG TYR A 62 -9.970 -4.892 -3.171 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.267 -5.989 -2.372 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.746 -4.260 -2.987 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.375 -6.442 -1.419 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.847 -4.706 -2.038 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.166 -5.797 -1.256 1.00 0.00 C ATOM 888 OH TYR A 62 -7.274 -6.246 -0.309 1.00 0.00 O ATOM 0 H TYR A 62 -12.818 -3.501 -5.605 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.805 -4.517 -3.133 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.251 -5.238 -4.841 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.449 -3.680 -4.859 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.212 -6.497 -2.498 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.493 -3.405 -3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -9.622 -7.296 -0.805 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.900 -4.204 -1.909 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.362 -6.011 -0.581 1.00 0.00 H new ATOM 898 N ILE A 63 -11.261 -1.593 -3.029 1.00 0.00 N ATOM 899 CA ILE A 63 -10.837 -0.526 -2.132 1.00 0.00 C ATOM 900 C ILE A 63 -11.912 -0.220 -1.094 1.00 0.00 C ATOM 901 O ILE A 63 -11.618 -0.049 0.089 1.00 0.00 O ATOM 902 CB ILE A 63 -10.506 0.763 -2.907 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.349 0.517 -3.878 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.164 1.889 -1.942 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.105 -0.025 -3.211 1.00 0.00 C ATOM 0 H ILE A 63 -11.108 -1.398 -4.018 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.937 -0.878 -1.627 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.383 1.058 -3.483 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.674 -0.184 -4.647 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.103 1.452 -4.382 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -9.932 2.793 -2.505 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.014 2.077 -1.287 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -9.300 1.604 -1.342 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.327 -0.175 -3.959 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -7.755 0.685 -2.461 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.335 -0.976 -2.731 1.00 0.00 H new ATOM 917 N LYS A 64 -13.160 -0.154 -1.546 1.00 0.00 N ATOM 918 CA LYS A 64 -14.281 0.127 -0.657 1.00 0.00 C ATOM 919 C LYS A 64 -14.421 -0.959 0.404 1.00 0.00 C ATOM 920 O LYS A 64 -14.934 -0.712 1.495 1.00 0.00 O ATOM 921 CB LYS A 64 -15.579 0.240 -1.461 1.00 0.00 C ATOM 922 CG LYS A 64 -15.677 1.513 -2.283 1.00 0.00 C ATOM 923 CD LYS A 64 -16.869 1.479 -3.224 1.00 0.00 C ATOM 924 CE LYS A 64 -17.059 2.812 -3.932 1.00 0.00 C ATOM 925 NZ LYS A 64 -18.348 2.867 -4.675 1.00 0.00 N ATOM 0 H LYS A 64 -13.420 -0.291 -2.523 1.00 0.00 H new ATOM 0 HA LYS A 64 -14.086 1.075 -0.156 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -15.660 -0.619 -2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -16.426 0.194 -0.776 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.763 2.372 -1.617 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -14.761 1.647 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -16.728 0.690 -3.963 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.770 1.232 -2.663 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.027 3.619 -3.200 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -16.233 2.976 -4.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.440 3.791 -5.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -18.369 2.113 -5.391 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.137 2.736 -4.011 1.00 0.00 H new ATOM 939 N GLY A 65 -13.959 -2.162 0.078 1.00 0.00 N ATOM 940 CA GLY A 65 -14.040 -3.267 1.015 1.00 0.00 C ATOM 941 C GLY A 65 -14.887 -4.410 0.491 1.00 0.00 C ATOM 942 O GLY A 65 -14.808 -5.531 0.994 1.00 0.00 O ATOM 0 H GLY A 65 -13.530 -2.391 -0.819 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -13.036 -3.632 1.230 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.458 -2.911 1.957 1.00 0.00 H new ATOM 946 N ARG A 66 -15.701 -4.126 -0.521 1.00 0.00 N ATOM 947 CA ARG A 66 -16.569 -5.138 -1.111 1.00 0.00 C ATOM 948 C ARG A 66 -16.415 -5.168 -2.628 1.00 0.00 C ATOM 949 O ARG A 66 -16.887 -4.272 -3.329 1.00 0.00 O ATOM 950 CB ARG A 66 -18.028 -4.869 -0.740 1.00 0.00 C ATOM 951 CG ARG A 66 -19.010 -5.824 -1.398 1.00 0.00 C ATOM 952 CD ARG A 66 -20.391 -5.201 -1.530 1.00 0.00 C ATOM 953 NE ARG A 66 -20.467 -4.273 -2.655 1.00 0.00 N ATOM 954 CZ ARG A 66 -20.280 -2.962 -2.541 1.00 0.00 C ATOM 955 NH1 ARG A 66 -20.008 -2.429 -1.358 1.00 0.00 N ATOM 956 NH2 ARG A 66 -20.365 -2.183 -3.611 1.00 0.00 N ATOM 0 H ARG A 66 -15.777 -3.203 -0.949 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.275 -6.110 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.137 -4.938 0.342 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.283 -3.848 -1.022 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.641 -6.105 -2.384 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -19.078 -6.740 -0.811 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -21.133 -5.989 -1.659 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.641 -4.675 -0.609 1.00 0.00 H new ATOM 0 HE ARG A 66 -20.675 -4.652 -3.579 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -19.942 -3.025 -0.533 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -19.865 -1.423 -1.273 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -20.574 -2.590 -4.523 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -20.221 -1.177 -3.522 1.00 0.00 H new ATOM 970 N CYS A 67 -15.752 -6.204 -3.131 1.00 0.00 N ATOM 971 CA CYS A 67 -15.535 -6.352 -4.565 1.00 0.00 C ATOM 972 C CYS A 67 -16.513 -7.359 -5.162 1.00 0.00 C ATOM 973 O CYS A 67 -16.286 -8.567 -5.108 1.00 0.00 O ATOM 974 CB CYS A 67 -14.097 -6.795 -4.841 1.00 0.00 C ATOM 975 SG CYS A 67 -13.846 -7.518 -6.494 1.00 0.00 S ATOM 0 H CYS A 67 -15.355 -6.954 -2.566 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.706 -5.384 -5.035 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.435 -5.936 -4.728 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.802 -7.526 -4.088 1.00 0.00 H new ATOM 0 HG CYS A 67 -14.736 -8.442 -6.703 1.00 0.00 H new ATOM 980 N MET A 68 -17.601 -6.852 -5.732 1.00 0.00 N ATOM 981 CA MET A 68 -18.613 -7.708 -6.342 1.00 0.00 C ATOM 982 C MET A 68 -18.401 -7.812 -7.849 1.00 0.00 C ATOM 983 O MET A 68 -18.948 -8.701 -8.502 1.00 0.00 O ATOM 984 CB MET A 68 -20.014 -7.166 -6.048 1.00 0.00 C ATOM 985 CG MET A 68 -21.131 -8.074 -6.536 1.00 0.00 C ATOM 986 SD MET A 68 -22.670 -7.830 -5.629 1.00 0.00 S ATOM 987 CE MET A 68 -23.757 -8.959 -6.496 1.00 0.00 C ATOM 0 H MET A 68 -17.805 -5.854 -5.785 1.00 0.00 H new ATOM 0 HA MET A 68 -18.519 -8.704 -5.911 1.00 0.00 H new ATOM 0 HB2 MET A 68 -20.120 -7.019 -4.973 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.122 -6.187 -6.516 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.306 -7.891 -7.596 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.818 -9.113 -6.439 1.00 0.00 H new ATOM 0 HE1 MET A 68 -24.751 -8.922 -6.050 1.00 0.00 H new ATOM 0 HE2 MET A 68 -23.819 -8.670 -7.545 1.00 0.00 H new ATOM 0 HE3 MET A 68 -23.363 -9.973 -6.421 1.00 0.00 H new ATOM 997 N ARG A 69 -17.604 -6.899 -8.394 1.00 0.00 N ATOM 998 CA ARG A 69 -17.322 -6.888 -9.824 1.00 0.00 C ATOM 999 C ARG A 69 -17.164 -8.309 -10.358 1.00 0.00 C ATOM 1000 O ARG A 69 -16.118 -8.934 -10.185 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.054 -6.081 -10.109 1.00 0.00 C ATOM 1002 CG ARG A 69 -16.174 -4.610 -9.747 1.00 0.00 C ATOM 1003 CD ARG A 69 -15.193 -3.760 -10.539 1.00 0.00 C ATOM 1004 NE ARG A 69 -15.652 -3.522 -11.905 1.00 0.00 N ATOM 1005 CZ ARG A 69 -15.211 -2.527 -12.666 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -14.304 -1.682 -12.198 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -15.677 -2.377 -13.899 1.00 0.00 N ATOM 0 H ARG A 69 -17.142 -6.158 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.165 -6.419 -10.332 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.224 -6.517 -9.553 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -15.809 -6.167 -11.168 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -17.191 -4.269 -9.940 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -15.991 -4.480 -8.680 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -15.050 -2.805 -10.033 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -14.222 -4.255 -10.564 1.00 0.00 H new ATOM 0 HE ARG A 69 -16.350 -4.155 -12.296 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -13.943 -1.795 -11.251 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.967 -0.919 -12.785 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -16.374 -3.026 -14.263 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -15.338 -1.613 -14.483 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.210 -8.812 -11.006 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.187 -10.159 -11.564 1.00 0.00 C ATOM 1023 C GLU A 70 -16.851 -10.444 -12.242 1.00 0.00 C ATOM 1024 O GLU A 70 -16.248 -9.559 -12.850 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.329 -10.340 -12.566 1.00 0.00 C ATOM 1026 CG GLU A 70 -19.258 -11.645 -13.341 1.00 0.00 C ATOM 1027 CD GLU A 70 -20.155 -11.647 -14.563 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -21.371 -11.405 -14.407 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -19.643 -11.890 -15.676 1.00 0.00 O ATOM 0 H GLU A 70 -19.083 -8.307 -11.157 1.00 0.00 H new ATOM 0 HA GLU A 70 -18.317 -10.866 -10.745 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.279 -10.295 -12.033 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.318 -9.508 -13.270 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -18.228 -11.824 -13.650 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -19.541 -12.468 -12.685 1.00 0.00 H new ATOM 1036 N LYS A 71 -16.392 -11.687 -12.133 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.127 -12.091 -12.736 1.00 0.00 C ATOM 1038 C LYS A 71 -14.122 -10.945 -12.712 1.00 0.00 C ATOM 1039 O LYS A 71 -13.551 -10.585 -13.742 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.351 -12.558 -14.176 1.00 0.00 C ATOM 1041 CG LYS A 71 -15.603 -14.051 -14.300 1.00 0.00 C ATOM 1042 CD LYS A 71 -17.030 -14.409 -13.920 1.00 0.00 C ATOM 1043 CE LYS A 71 -17.189 -15.906 -13.704 1.00 0.00 C ATOM 1044 NZ LYS A 71 -16.933 -16.293 -12.289 1.00 0.00 N ATOM 0 H LYS A 71 -16.877 -12.432 -11.633 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.722 -12.917 -12.152 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.200 -12.019 -14.596 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.479 -12.294 -14.774 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.407 -14.370 -15.324 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -14.908 -14.593 -13.659 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -17.310 -13.877 -13.011 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -17.711 -14.079 -14.705 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -18.197 -16.208 -13.986 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -16.501 -16.442 -14.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.051 -17.321 -12.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -15.962 -16.028 -12.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.606 -15.801 -11.667 1.00 0.00 H new ATOM 1058 N CYS A 72 -13.908 -10.376 -11.530 1.00 0.00 N ATOM 1059 CA CYS A 72 -12.970 -9.271 -11.371 1.00 0.00 C ATOM 1060 C CYS A 72 -11.538 -9.732 -11.627 1.00 0.00 C ATOM 1061 O CYS A 72 -10.984 -10.525 -10.865 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.084 -8.676 -9.966 1.00 0.00 C ATOM 1063 SG CYS A 72 -11.583 -7.812 -9.402 1.00 0.00 S ATOM 0 H CYS A 72 -14.372 -10.662 -10.668 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.222 -8.504 -12.104 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -13.922 -7.979 -9.945 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.317 -9.475 -9.262 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.907 -6.651 -8.916 1.00 0.00 H new ATOM 1068 N LYS A 73 -10.944 -9.229 -12.704 1.00 0.00 N ATOM 1069 CA LYS A 73 -9.576 -9.586 -13.060 1.00 0.00 C ATOM 1070 C LYS A 73 -8.615 -8.446 -12.741 1.00 0.00 C ATOM 1071 O LYS A 73 -7.645 -8.217 -13.464 1.00 0.00 O ATOM 1072 CB LYS A 73 -9.490 -9.938 -14.547 1.00 0.00 C ATOM 1073 CG LYS A 73 -9.768 -8.762 -15.467 1.00 0.00 C ATOM 1074 CD LYS A 73 -11.227 -8.718 -15.892 1.00 0.00 C ATOM 1075 CE LYS A 73 -11.632 -7.326 -16.351 1.00 0.00 C ATOM 1076 NZ LYS A 73 -13.052 -7.280 -16.797 1.00 0.00 N ATOM 0 H LYS A 73 -11.389 -8.573 -13.346 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.289 -10.456 -12.469 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.496 -10.330 -14.762 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -10.201 -10.735 -14.765 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.508 -7.833 -14.960 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -9.133 -8.832 -16.350 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -11.394 -9.431 -16.699 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -11.859 -9.026 -15.059 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -11.484 -6.618 -15.536 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -10.984 -7.010 -17.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -13.289 -6.314 -17.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -13.188 -7.937 -17.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.672 -7.556 -16.009 1.00 0.00 H new ATOM 1090 N TYR A 74 -8.889 -7.735 -11.652 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.049 -6.618 -11.238 1.00 0.00 C ATOM 1092 C TYR A 74 -7.162 -7.011 -10.060 1.00 0.00 C ATOM 1093 O TYR A 74 -7.462 -7.955 -9.329 1.00 0.00 O ATOM 1094 CB TYR A 74 -8.914 -5.415 -10.859 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.736 -4.874 -12.007 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.932 -5.478 -12.375 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.316 -3.761 -12.725 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -11.686 -4.988 -13.424 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -10.064 -3.264 -13.774 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.248 -3.881 -14.120 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.995 -3.390 -15.166 1.00 0.00 O ATOM 0 H TYR A 74 -9.686 -7.913 -11.041 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.409 -6.347 -12.078 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.583 -5.701 -10.047 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.271 -4.622 -10.478 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -11.278 -6.345 -11.832 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.389 -3.276 -12.458 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.613 -5.469 -13.697 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.724 -2.397 -14.321 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.547 -2.607 -15.549 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.067 -6.279 -9.883 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.134 -6.550 -8.795 1.00 0.00 C ATOM 1113 C PHE A 75 -5.649 -5.971 -7.480 1.00 0.00 C ATOM 1114 O PHE A 75 -6.079 -4.819 -7.423 1.00 0.00 O ATOM 1115 CB PHE A 75 -3.757 -5.967 -9.118 1.00 0.00 C ATOM 1116 CG PHE A 75 -2.805 -5.999 -7.957 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.029 -7.121 -7.711 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.686 -4.908 -7.111 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.152 -7.154 -6.643 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -1.810 -4.935 -6.042 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.043 -6.060 -5.807 1.00 0.00 C ATOM 0 H PHE A 75 -5.804 -5.494 -10.479 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.046 -7.631 -8.686 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.322 -6.522 -9.949 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -3.877 -4.936 -9.451 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.111 -7.979 -8.361 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.284 -4.027 -7.289 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -0.553 -8.034 -6.463 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.725 -4.077 -5.391 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.360 -6.084 -4.971 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.602 -6.779 -6.426 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.063 -6.348 -5.111 1.00 0.00 C ATOM 1133 C HIS A 76 -4.882 -6.050 -4.192 1.00 0.00 C ATOM 1134 O HIS A 76 -4.249 -6.952 -3.642 1.00 0.00 O ATOM 1135 CB HIS A 76 -6.955 -7.419 -4.484 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.366 -7.393 -4.986 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.425 -7.930 -4.284 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.890 -6.889 -6.128 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.538 -7.759 -4.974 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.241 -7.130 -6.096 1.00 0.00 N ATOM 0 H HIS A 76 -5.249 -7.736 -6.457 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.642 -5.433 -5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.525 -8.401 -4.684 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -6.961 -7.288 -3.402 1.00 0.00 H new ATOM 0 HD1 HIS A 76 -9.359 -8.387 -3.375 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.347 -6.390 -6.917 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.524 -8.079 -4.672 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.576 -4.755 -4.021 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.470 -4.309 -3.169 1.00 0.00 C ATOM 1150 C PRO A 77 -3.749 -4.540 -1.688 1.00 0.00 C ATOM 1151 O PRO A 77 -4.881 -4.796 -1.277 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.374 -2.811 -3.468 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.740 -2.427 -3.924 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.288 -3.627 -4.646 1.00 0.00 C ATOM 0 HA PRO A 77 -2.551 -4.858 -3.374 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.080 -2.249 -2.582 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.628 -2.608 -4.237 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.373 -2.158 -3.078 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.702 -1.559 -4.582 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.367 -3.714 -4.520 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.095 -3.574 -5.718 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.694 -4.447 -0.865 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.802 -4.641 0.584 1.00 0.00 C ATOM 1164 C PRO A 78 -3.558 -3.507 1.267 1.00 0.00 C ATOM 1165 O PRO A 78 -4.008 -2.567 0.613 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.343 -4.666 1.048 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.604 -3.888 0.015 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.316 -4.145 -1.285 1.00 0.00 C ATOM 0 HA PRO A 78 -3.359 -5.544 0.833 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.234 -4.217 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.967 -5.687 1.119 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.601 -2.825 0.255 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.437 -4.205 -0.041 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.278 -3.277 -1.943 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.870 -4.977 -1.830 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.694 -3.602 2.586 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.394 -2.582 3.357 1.00 0.00 C ATOM 1178 C ALA A 79 -3.640 -1.257 3.327 1.00 0.00 C ATOM 1179 O ALA A 79 -4.119 -0.270 2.769 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.591 -3.048 4.792 1.00 0.00 C ATOM 0 H ALA A 79 -3.329 -4.375 3.142 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.371 -2.424 2.901 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.115 -2.277 5.356 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -5.179 -3.966 4.799 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.620 -3.236 5.250 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.456 -1.242 3.933 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.635 -0.037 3.976 1.00 0.00 C ATOM 1188 C HIS A 80 -1.758 0.751 2.676 1.00 0.00 C ATOM 1189 O HIS A 80 -1.917 1.973 2.691 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.172 -0.401 4.229 1.00 0.00 C ATOM 1191 CG HIS A 80 0.400 -1.330 3.203 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.269 -2.701 3.273 1.00 0.00 N ATOM 1193 CD2 HIS A 80 1.108 -1.079 2.077 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.872 -3.252 2.235 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.390 -2.289 1.494 1.00 0.00 N ATOM 0 H HIS A 80 -2.045 -2.050 4.400 1.00 0.00 H new ATOM 0 HA HIS A 80 -1.993 0.588 4.794 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.422 0.512 4.252 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.086 -0.862 5.213 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.397 -0.107 1.706 1.00 0.00 H new ATOM 0 HE1 HIS A 80 0.931 -4.310 2.027 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.914 -2.423 0.629 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.683 0.046 1.552 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.786 0.680 0.243 1.00 0.00 C ATOM 1205 C LEU A 81 -3.225 1.090 -0.053 1.00 0.00 C ATOM 1206 O LEU A 81 -3.488 2.227 -0.442 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.280 -0.269 -0.846 1.00 0.00 C ATOM 1208 CG LEU A 81 0.226 -0.249 -1.107 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.628 -1.409 -2.005 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.643 1.077 -1.726 1.00 0.00 C ATOM 0 H LEU A 81 -1.551 -0.965 1.521 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.167 1.577 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.568 -1.285 -0.577 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.793 -0.028 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 81 0.742 -0.359 -0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.703 -1.378 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.366 -2.351 -1.523 1.00 0.00 H new ATOM 0 HD13 LEU A 81 0.103 -1.331 -2.957 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.718 1.073 -1.905 1.00 0.00 H new ATOM 0 HD22 LEU A 81 0.119 1.218 -2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.391 1.891 -1.046 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.152 0.156 0.138 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.565 0.422 -0.107 1.00 0.00 C ATOM 1224 C GLN A 82 -5.933 1.841 0.314 1.00 0.00 C ATOM 1225 O GLN A 82 -6.742 2.502 -0.336 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.433 -0.588 0.645 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.751 -1.837 -0.161 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.412 -2.917 0.672 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.531 -2.746 1.157 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -6.721 -4.038 0.844 1.00 0.00 N ATOM 0 H GLN A 82 -3.950 -0.790 0.461 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.748 0.322 -1.177 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.924 -0.879 1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.366 -0.106 0.936 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.406 -1.572 -0.991 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.831 -2.230 -0.594 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -5.797 -4.137 0.424 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.114 -4.800 1.396 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.334 2.302 1.407 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.597 3.643 1.914 1.00 0.00 C ATOM 1241 C ALA A 83 -4.938 4.702 1.037 1.00 0.00 C ATOM 1242 O ALA A 83 -5.560 5.702 0.680 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.112 3.769 3.351 1.00 0.00 C ATOM 0 H ALA A 83 -4.663 1.767 1.958 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.674 3.808 1.889 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.315 4.776 3.717 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.634 3.044 3.976 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.040 3.578 3.391 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.675 4.475 0.692 1.00 0.00 N ATOM 1250 CA LYS A 84 -2.930 5.408 -0.144 1.00 0.00 C ATOM 1251 C LYS A 84 -3.802 5.937 -1.279 1.00 0.00 C ATOM 1252 O LYS A 84 -3.734 7.116 -1.628 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.685 4.729 -0.718 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.458 4.859 0.168 1.00 0.00 C ATOM 1255 CD LYS A 84 0.820 4.909 -0.653 1.00 0.00 C ATOM 1256 CE LYS A 84 1.195 6.338 -1.014 1.00 0.00 C ATOM 1257 NZ LYS A 84 2.128 6.391 -2.173 1.00 0.00 N ATOM 0 H LYS A 84 -3.146 3.652 0.979 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.623 6.249 0.478 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -1.898 3.672 -0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.465 5.159 -1.695 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -0.539 5.762 0.773 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.415 4.016 0.858 1.00 0.00 H new ATOM 0 HD2 LYS A 84 1.633 4.449 -0.091 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.692 4.324 -1.564 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.292 6.902 -1.249 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.658 6.821 -0.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.359 7.382 -2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.000 5.874 -1.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.677 5.954 -3.002 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.620 5.059 -1.848 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.507 5.439 -2.941 1.00 0.00 C ATOM 1273 C ILE A 85 -6.754 6.143 -2.418 1.00 0.00 C ATOM 1274 O ILE A 85 -7.149 7.192 -2.927 1.00 0.00 O ATOM 1275 CB ILE A 85 -5.933 4.215 -3.772 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.714 3.575 -4.441 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -6.966 4.616 -4.815 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.084 2.473 -3.619 1.00 0.00 C ATOM 0 H ILE A 85 -4.687 4.080 -1.571 1.00 0.00 H new ATOM 0 HA ILE A 85 -4.947 6.123 -3.578 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.385 3.481 -3.104 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.011 3.171 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -3.968 4.346 -4.633 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.257 3.740 -5.394 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.843 5.030 -4.318 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.539 5.366 -5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.226 2.065 -4.154 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.756 2.876 -2.661 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.815 1.683 -3.449 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.371 5.560 -1.395 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.572 6.132 -0.799 1.00 0.00 C ATOM 1292 C LYS A 86 -8.356 7.598 -0.440 1.00 0.00 C ATOM 1293 O LYS A 86 -9.120 8.468 -0.857 1.00 0.00 O ATOM 1294 CB LYS A 86 -8.971 5.343 0.451 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.906 4.181 0.164 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.626 3.721 1.420 1.00 0.00 C ATOM 1297 CE LYS A 86 -9.839 2.644 2.151 1.00 0.00 C ATOM 1298 NZ LYS A 86 -8.900 3.224 3.150 1.00 0.00 N ATOM 0 H LYS A 86 -7.058 4.691 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.376 6.071 -1.532 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.070 4.963 0.933 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.451 6.019 1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.637 4.479 -0.587 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.338 3.351 -0.255 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.783 4.572 2.083 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.611 3.337 1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -10.530 1.967 2.653 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -9.279 2.050 1.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.042 2.638 3.202 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.642 4.190 2.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.358 3.250 4.083 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.310 7.865 0.336 1.00 0.00 N ATOM 1313 CA ALA A 87 -6.992 9.227 0.748 1.00 0.00 C ATOM 1314 C ALA A 87 -7.335 10.227 -0.351 1.00 0.00 C ATOM 1315 O ALA A 87 -8.011 11.226 -0.106 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.522 9.335 1.123 1.00 0.00 C ATOM 0 H ALA A 87 -6.669 7.156 0.692 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.597 9.467 1.622 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.299 10.357 1.429 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.306 8.655 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -4.907 9.071 0.263 1.00 0.00 H new