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 115:sc= 1.24 USER MOD Set 1.2: A 67 CYS SG : rot 113:sc= -0.545 USER MOD Set 1.3: A 72 CYS SG : rot -100:sc= 0.842 USER MOD Set 1.4: A 76 HIS : no HD1:sc= -2.21 K(o=-0.68,f=-1.3) USER MOD Set 2.1: A 62 TYR OH : rot 180:sc= -0.0592 USER MOD Set 2.2: A 82 GLN : amide:sc= -0.238 K(o=-0.3,f=1.1) USER MOD Set 3.1: A 23 CYS SG : rot -155:sc= 0.372 USER MOD Set 3.2: A 31 CYS SG : rot 84:sc= 0.245 USER MOD Set 3.3: A 38 CYS SG : rot 149:sc= 0.597 USER MOD Set 3.4: A 42 HIS : no HD1:sc= -3.04 K(o=-1.8,f=-0.39) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.522 X(o=-0.52,f=-0.091) USER MOD Single : A 30 ASN : amide:sc= -2.38! C(o=-2.4!,f=-2.5!) 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= -2.81! C(o=-2.8!,f=-4.4!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.352 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl -124:sc= -0.0815 (180deg=-0.796) USER MOD Single : A 64 LYS NZ :NH3+ -143:sc= -0.0787 (180deg=-0.269) 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+ -112:sc= -0.0298 (180deg=-1.02) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -14.6! C(o=-15!,f=-12!) USER MOD Single : A 84 LYS NZ :NH3+ 156:sc= -0.0766 (180deg=-0.505) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 216 N THR A 17 -5.942 7.135 -11.013 1.00 0.00 N ATOM 217 CA THR A 17 -5.592 6.857 -9.625 1.00 0.00 C ATOM 218 C THR A 17 -5.471 5.358 -9.378 1.00 0.00 C ATOM 219 O THR A 17 -4.671 4.918 -8.552 1.00 0.00 O ATOM 220 CB THR A 17 -6.635 7.444 -8.655 1.00 0.00 C ATOM 221 OG1 THR A 17 -6.207 7.252 -7.302 1.00 0.00 O ATOM 222 CG2 THR A 17 -7.993 6.791 -8.861 1.00 0.00 C ATOM 0 HA THR A 17 -4.628 7.331 -9.441 1.00 0.00 H new ATOM 0 HB THR A 17 -6.729 8.511 -8.858 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.874 7.629 -6.691 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.713 7.222 -8.165 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.329 6.964 -9.884 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.912 5.719 -8.682 1.00 0.00 H new ATOM 230 N ASP A 18 -6.270 4.578 -10.098 1.00 0.00 N ATOM 231 CA ASP A 18 -6.251 3.127 -9.957 1.00 0.00 C ATOM 232 C ASP A 18 -5.072 2.523 -10.714 1.00 0.00 C ATOM 233 O ASP A 18 -5.218 1.524 -11.419 1.00 0.00 O ATOM 234 CB ASP A 18 -7.562 2.527 -10.468 1.00 0.00 C ATOM 235 CG ASP A 18 -7.929 3.029 -11.851 1.00 0.00 C ATOM 236 OD1 ASP A 18 -8.479 4.145 -11.949 1.00 0.00 O ATOM 237 OD2 ASP A 18 -7.666 2.306 -12.835 1.00 0.00 O ATOM 0 H ASP A 18 -6.939 4.926 -10.785 1.00 0.00 H new ATOM 0 HA ASP A 18 -6.140 2.891 -8.899 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -7.477 1.441 -10.490 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -8.365 2.770 -9.772 1.00 0.00 H new ATOM 242 N LYS A 19 -3.903 3.136 -10.563 1.00 0.00 N ATOM 243 CA LYS A 19 -2.697 2.660 -11.231 1.00 0.00 C ATOM 244 C LYS A 19 -1.545 2.523 -10.241 1.00 0.00 C ATOM 245 O LYS A 19 -1.158 3.491 -9.585 1.00 0.00 O ATOM 246 CB LYS A 19 -2.303 3.615 -12.359 1.00 0.00 C ATOM 247 CG LYS A 19 -3.065 3.377 -13.652 1.00 0.00 C ATOM 248 CD LYS A 19 -2.976 4.576 -14.581 1.00 0.00 C ATOM 249 CE LYS A 19 -1.654 4.601 -15.333 1.00 0.00 C ATOM 250 NZ LYS A 19 -1.738 3.869 -16.627 1.00 0.00 N ATOM 0 H LYS A 19 -3.765 3.964 -9.984 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.909 1.678 -11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -2.472 4.641 -12.031 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -1.235 3.514 -12.553 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -2.665 2.496 -14.154 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -4.111 3.168 -13.426 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -3.801 4.548 -15.293 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -3.085 5.494 -14.004 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -1.361 5.634 -15.519 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.875 4.156 -14.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.817 3.909 -17.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -1.992 2.877 -16.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -2.463 4.309 -17.229 1.00 0.00 H new ATOM 264 N LEU A 20 -0.999 1.316 -10.139 1.00 0.00 N ATOM 265 CA LEU A 20 0.111 1.053 -9.229 1.00 0.00 C ATOM 266 C LEU A 20 1.385 0.731 -10.004 1.00 0.00 C ATOM 267 O LEU A 20 1.379 -0.108 -10.905 1.00 0.00 O ATOM 268 CB LEU A 20 -0.235 -0.104 -8.291 1.00 0.00 C ATOM 269 CG LEU A 20 -0.914 0.278 -6.975 1.00 0.00 C ATOM 270 CD1 LEU A 20 -1.676 -0.907 -6.403 1.00 0.00 C ATOM 271 CD2 LEU A 20 0.113 0.787 -5.974 1.00 0.00 C ATOM 0 H LEU A 20 -1.307 0.504 -10.675 1.00 0.00 H new ATOM 0 HA LEU A 20 0.284 1.952 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.886 -0.796 -8.825 1.00 0.00 H new ATOM 0 HB3 LEU A 20 0.683 -0.644 -8.059 1.00 0.00 H new ATOM 0 HG LEU A 20 -1.626 1.079 -7.175 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.152 -0.616 -5.467 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.438 -1.227 -7.114 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.985 -1.729 -6.218 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.387 1.054 -5.043 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.849 0.007 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.614 1.665 -6.382 1.00 0.00 H new ATOM 283 N GLU A 21 2.475 1.402 -9.646 1.00 0.00 N ATOM 284 CA GLU A 21 3.757 1.185 -10.307 1.00 0.00 C ATOM 285 C GLU A 21 4.362 -0.154 -9.894 1.00 0.00 C ATOM 286 O GLU A 21 4.761 -0.339 -8.744 1.00 0.00 O ATOM 287 CB GLU A 21 4.727 2.320 -9.974 1.00 0.00 C ATOM 288 CG GLU A 21 4.636 3.498 -10.929 1.00 0.00 C ATOM 289 CD GLU A 21 5.569 4.631 -10.548 1.00 0.00 C ATOM 290 OE1 GLU A 21 5.226 5.398 -9.624 1.00 0.00 O ATOM 291 OE2 GLU A 21 6.642 4.751 -11.175 1.00 0.00 O ATOM 0 H GLU A 21 2.496 2.100 -8.903 1.00 0.00 H new ATOM 0 HA GLU A 21 3.584 1.170 -11.383 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.530 2.669 -8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 21 5.745 1.931 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 21 4.872 3.162 -11.939 1.00 0.00 H new ATOM 0 HG3 GLU A 21 3.611 3.867 -10.948 1.00 0.00 H new ATOM 298 N VAL A 22 4.427 -1.084 -10.841 1.00 0.00 N ATOM 299 CA VAL A 22 4.984 -2.406 -10.578 1.00 0.00 C ATOM 300 C VAL A 22 6.468 -2.319 -10.236 1.00 0.00 C ATOM 301 O VAL A 22 7.251 -1.718 -10.971 1.00 0.00 O ATOM 302 CB VAL A 22 4.802 -3.343 -11.786 1.00 0.00 C ATOM 303 CG1 VAL A 22 5.620 -4.612 -11.606 1.00 0.00 C ATOM 304 CG2 VAL A 22 3.330 -3.672 -11.987 1.00 0.00 C ATOM 0 H VAL A 22 4.101 -0.947 -11.798 1.00 0.00 H new ATOM 0 HA VAL A 22 4.440 -2.814 -9.726 1.00 0.00 H new ATOM 0 HB VAL A 22 5.162 -2.831 -12.678 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.478 -5.262 -12.470 1.00 0.00 H new ATOM 0 HG12 VAL A 22 6.675 -4.355 -11.514 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.293 -5.131 -10.705 1.00 0.00 H new ATOM 0 HG21 VAL A 22 3.219 -4.335 -12.845 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.942 -4.164 -11.095 1.00 0.00 H new ATOM 0 HG23 VAL A 22 2.773 -2.752 -12.165 1.00 0.00 H new ATOM 314 N CYS A 23 6.847 -2.923 -9.115 1.00 0.00 N ATOM 315 CA CYS A 23 8.237 -2.915 -8.674 1.00 0.00 C ATOM 316 C CYS A 23 9.113 -3.728 -9.621 1.00 0.00 C ATOM 317 O CYS A 23 8.829 -4.894 -9.899 1.00 0.00 O ATOM 318 CB CYS A 23 8.346 -3.473 -7.254 1.00 0.00 C ATOM 319 SG CYS A 23 9.696 -2.745 -6.270 1.00 0.00 S ATOM 0 H CYS A 23 6.211 -3.424 -8.495 1.00 0.00 H new ATOM 0 HA CYS A 23 8.588 -1.883 -8.680 1.00 0.00 H new ATOM 0 HB2 CYS A 23 7.402 -3.305 -6.736 1.00 0.00 H new ATOM 0 HB3 CYS A 23 8.492 -4.552 -7.309 1.00 0.00 H new ATOM 0 HG CYS A 23 10.063 -3.585 -5.348 1.00 0.00 H new ATOM 324 N ARG A 24 10.179 -3.106 -10.114 1.00 0.00 N ATOM 325 CA ARG A 24 11.097 -3.772 -11.031 1.00 0.00 C ATOM 326 C ARG A 24 11.951 -4.799 -10.295 1.00 0.00 C ATOM 327 O ARG A 24 12.211 -5.887 -10.808 1.00 0.00 O ATOM 328 CB ARG A 24 11.996 -2.744 -11.721 1.00 0.00 C ATOM 329 CG ARG A 24 11.229 -1.626 -12.407 1.00 0.00 C ATOM 330 CD ARG A 24 11.961 -1.124 -13.641 1.00 0.00 C ATOM 331 NE ARG A 24 11.060 -0.461 -14.580 1.00 0.00 N ATOM 332 CZ ARG A 24 10.718 0.819 -14.491 1.00 0.00 C ATOM 333 NH1 ARG A 24 11.199 1.571 -13.511 1.00 0.00 N ATOM 334 NH2 ARG A 24 9.892 1.350 -15.385 1.00 0.00 N ATOM 0 H ARG A 24 10.428 -2.142 -9.894 1.00 0.00 H new ATOM 0 HA ARG A 24 10.506 -4.292 -11.785 1.00 0.00 H new ATOM 0 HB2 ARG A 24 12.670 -2.310 -10.983 1.00 0.00 H new ATOM 0 HB3 ARG A 24 12.616 -3.253 -12.459 1.00 0.00 H new ATOM 0 HG2 ARG A 24 10.239 -1.983 -12.690 1.00 0.00 H new ATOM 0 HG3 ARG A 24 11.083 -0.802 -11.709 1.00 0.00 H new ATOM 0 HD2 ARG A 24 12.745 -0.430 -13.340 1.00 0.00 H new ATOM 0 HD3 ARG A 24 12.450 -1.962 -14.138 1.00 0.00 H new ATOM 0 HE ARG A 24 10.672 -1.011 -15.346 1.00 0.00 H new ATOM 0 HH11 ARG A 24 11.834 1.167 -12.823 1.00 0.00 H new ATOM 0 HH12 ARG A 24 10.934 2.554 -13.445 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.520 0.775 -16.141 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.630 2.333 -15.316 1.00 0.00 H new ATOM 348 N GLU A 25 12.385 -4.445 -9.089 1.00 0.00 N ATOM 349 CA GLU A 25 13.212 -5.337 -8.283 1.00 0.00 C ATOM 350 C GLU A 25 12.489 -6.654 -8.015 1.00 0.00 C ATOM 351 O GLU A 25 12.941 -7.719 -8.434 1.00 0.00 O ATOM 352 CB GLU A 25 13.583 -4.666 -6.959 1.00 0.00 C ATOM 353 CG GLU A 25 14.503 -3.468 -7.120 1.00 0.00 C ATOM 354 CD GLU A 25 15.027 -2.953 -5.794 1.00 0.00 C ATOM 355 OE1 GLU A 25 14.295 -3.050 -4.787 1.00 0.00 O ATOM 356 OE2 GLU A 25 16.171 -2.451 -5.763 1.00 0.00 O ATOM 0 H GLU A 25 12.178 -3.548 -8.649 1.00 0.00 H new ATOM 0 HA GLU A 25 14.124 -5.550 -8.841 1.00 0.00 H new ATOM 0 HB2 GLU A 25 12.671 -4.347 -6.455 1.00 0.00 H new ATOM 0 HB3 GLU A 25 14.065 -5.399 -6.312 1.00 0.00 H new ATOM 0 HG2 GLU A 25 15.344 -3.743 -7.757 1.00 0.00 H new ATOM 0 HG3 GLU A 25 13.966 -2.668 -7.630 1.00 0.00 H new ATOM 363 N PHE A 26 11.364 -6.572 -7.312 1.00 0.00 N ATOM 364 CA PHE A 26 10.579 -7.756 -6.985 1.00 0.00 C ATOM 365 C PHE A 26 10.619 -8.768 -8.127 1.00 0.00 C ATOM 366 O PHE A 26 10.862 -9.954 -7.910 1.00 0.00 O ATOM 367 CB PHE A 26 9.130 -7.367 -6.684 1.00 0.00 C ATOM 368 CG PHE A 26 8.138 -8.442 -7.023 1.00 0.00 C ATOM 369 CD1 PHE A 26 7.870 -9.464 -6.125 1.00 0.00 C ATOM 370 CD2 PHE A 26 7.472 -8.432 -8.238 1.00 0.00 C ATOM 371 CE1 PHE A 26 6.958 -10.455 -6.435 1.00 0.00 C ATOM 372 CE2 PHE A 26 6.559 -9.420 -8.553 1.00 0.00 C ATOM 373 CZ PHE A 26 6.300 -10.432 -7.649 1.00 0.00 C ATOM 0 H PHE A 26 10.976 -5.698 -6.958 1.00 0.00 H new ATOM 0 HA PHE A 26 11.016 -8.217 -6.099 1.00 0.00 H new ATOM 0 HB2 PHE A 26 9.040 -7.122 -5.626 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.881 -6.465 -7.243 1.00 0.00 H new ATOM 0 HD1 PHE A 26 8.379 -9.486 -5.173 1.00 0.00 H new ATOM 0 HD2 PHE A 26 7.669 -7.642 -8.948 1.00 0.00 H new ATOM 0 HE1 PHE A 26 6.760 -11.247 -5.728 1.00 0.00 H new ATOM 0 HE2 PHE A 26 6.049 -9.401 -9.505 1.00 0.00 H new ATOM 0 HZ PHE A 26 5.584 -11.204 -7.891 1.00 0.00 H new ATOM 383 N GLN A 27 10.378 -8.288 -9.343 1.00 0.00 N ATOM 384 CA GLN A 27 10.386 -9.150 -10.519 1.00 0.00 C ATOM 385 C GLN A 27 11.593 -10.082 -10.503 1.00 0.00 C ATOM 386 O GLN A 27 11.447 -11.303 -10.555 1.00 0.00 O ATOM 387 CB GLN A 27 10.394 -8.307 -11.795 1.00 0.00 C ATOM 388 CG GLN A 27 9.110 -7.524 -12.016 1.00 0.00 C ATOM 389 CD GLN A 27 8.837 -7.252 -13.482 1.00 0.00 C ATOM 390 OE1 GLN A 27 9.739 -6.882 -14.235 1.00 0.00 O ATOM 391 NE2 GLN A 27 7.589 -7.434 -13.897 1.00 0.00 N ATOM 0 H GLN A 27 10.175 -7.308 -9.539 1.00 0.00 H new ATOM 0 HA GLN A 27 9.481 -9.758 -10.499 1.00 0.00 H new ATOM 0 HB2 GLN A 27 11.232 -7.611 -11.755 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.563 -8.960 -12.651 1.00 0.00 H new ATOM 0 HG2 GLN A 27 8.273 -8.079 -11.591 1.00 0.00 H new ATOM 0 HG3 GLN A 27 9.170 -6.577 -11.480 1.00 0.00 H new ATOM 0 HE21 GLN A 27 6.873 -7.741 -13.239 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.347 -7.266 -14.874 1.00 0.00 H new ATOM 400 N ARG A 28 12.784 -9.498 -10.432 1.00 0.00 N ATOM 401 CA ARG A 28 14.017 -10.276 -10.411 1.00 0.00 C ATOM 402 C ARG A 28 14.371 -10.695 -8.987 1.00 0.00 C ATOM 403 O ARG A 28 15.538 -10.918 -8.667 1.00 0.00 O ATOM 404 CB ARG A 28 15.166 -9.469 -11.017 1.00 0.00 C ATOM 405 CG ARG A 28 15.500 -8.206 -10.240 1.00 0.00 C ATOM 406 CD ARG A 28 16.201 -7.181 -11.117 1.00 0.00 C ATOM 407 NE ARG A 28 15.255 -6.276 -11.765 1.00 0.00 N ATOM 408 CZ ARG A 28 15.510 -5.636 -12.900 1.00 0.00 C ATOM 409 NH1 ARG A 28 16.676 -5.800 -13.510 1.00 0.00 N ATOM 410 NH2 ARG A 28 14.598 -4.829 -13.428 1.00 0.00 N ATOM 0 H ARG A 28 12.922 -8.488 -10.388 1.00 0.00 H new ATOM 0 HA ARG A 28 13.860 -11.174 -11.008 1.00 0.00 H new ATOM 0 HB2 ARG A 28 16.054 -10.099 -11.068 1.00 0.00 H new ATOM 0 HB3 ARG A 28 14.908 -9.198 -12.041 1.00 0.00 H new ATOM 0 HG2 ARG A 28 14.585 -7.774 -9.835 1.00 0.00 H new ATOM 0 HG3 ARG A 28 16.137 -8.457 -9.392 1.00 0.00 H new ATOM 0 HD2 ARG A 28 16.899 -6.603 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 28 16.789 -7.696 -11.877 1.00 0.00 H new ATOM 0 HE ARG A 28 14.349 -6.128 -11.321 1.00 0.00 H new ATOM 0 HH11 ARG A 28 17.380 -6.419 -13.107 1.00 0.00 H new ATOM 0 HH12 ARG A 28 16.869 -5.307 -14.382 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.700 -4.700 -12.962 1.00 0.00 H new ATOM 0 HH22 ARG A 28 14.795 -4.338 -14.300 1.00 0.00 H new ATOM 424 N GLY A 29 13.355 -10.800 -8.136 1.00 0.00 N ATOM 425 CA GLY A 29 13.580 -11.191 -6.756 1.00 0.00 C ATOM 426 C GLY A 29 14.704 -10.407 -6.108 1.00 0.00 C ATOM 427 O GLY A 29 15.562 -10.979 -5.438 1.00 0.00 O ATOM 0 H GLY A 29 12.380 -10.621 -8.377 1.00 0.00 H new ATOM 0 HA2 GLY A 29 12.663 -11.044 -6.186 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.813 -12.255 -6.716 1.00 0.00 H new ATOM 431 N ASN A 30 14.699 -9.093 -6.308 1.00 0.00 N ATOM 432 CA ASN A 30 15.728 -8.230 -5.739 1.00 0.00 C ATOM 433 C ASN A 30 15.152 -7.357 -4.628 1.00 0.00 C ATOM 434 O ASN A 30 15.842 -7.024 -3.665 1.00 0.00 O ATOM 435 CB ASN A 30 16.343 -7.348 -6.828 1.00 0.00 C ATOM 436 CG ASN A 30 17.541 -8.000 -7.491 1.00 0.00 C ATOM 437 OD1 ASN A 30 17.527 -9.194 -7.788 1.00 0.00 O ATOM 438 ND2 ASN A 30 18.587 -7.216 -7.725 1.00 0.00 N ATOM 0 H ASN A 30 13.995 -8.603 -6.859 1.00 0.00 H new ATOM 0 HA ASN A 30 16.505 -8.865 -5.313 1.00 0.00 H new ATOM 0 HB2 ASN A 30 15.588 -7.128 -7.583 1.00 0.00 H new ATOM 0 HB3 ASN A 30 16.646 -6.396 -6.393 1.00 0.00 H new ATOM 0 HD21 ASN A 30 19.422 -7.599 -8.168 1.00 0.00 H new ATOM 0 HD22 ASN A 30 18.555 -6.231 -7.462 1.00 0.00 H new ATOM 445 N CYS A 31 13.883 -6.991 -4.769 1.00 0.00 N ATOM 446 CA CYS A 31 13.212 -6.157 -3.779 1.00 0.00 C ATOM 447 C CYS A 31 13.243 -6.816 -2.403 1.00 0.00 C ATOM 448 O CYS A 31 13.155 -8.038 -2.287 1.00 0.00 O ATOM 449 CB CYS A 31 11.765 -5.894 -4.198 1.00 0.00 C ATOM 450 SG CYS A 31 10.942 -4.578 -3.245 1.00 0.00 S ATOM 0 H CYS A 31 13.298 -7.259 -5.560 1.00 0.00 H new ATOM 0 HA CYS A 31 13.744 -5.207 -3.720 1.00 0.00 H new ATOM 0 HB2 CYS A 31 11.747 -5.628 -5.255 1.00 0.00 H new ATOM 0 HB3 CYS A 31 11.194 -6.816 -4.092 1.00 0.00 H new ATOM 0 HG CYS A 31 11.239 -3.421 -3.757 1.00 0.00 H new ATOM 455 N ALA A 32 13.367 -5.998 -1.363 1.00 0.00 N ATOM 456 CA ALA A 32 13.407 -6.500 0.004 1.00 0.00 C ATOM 457 C ALA A 32 12.191 -6.033 0.797 1.00 0.00 C ATOM 458 O ALA A 32 11.710 -6.736 1.685 1.00 0.00 O ATOM 459 CB ALA A 32 14.689 -6.057 0.693 1.00 0.00 C ATOM 0 H ALA A 32 13.442 -4.984 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 32 13.386 -7.589 -0.036 1.00 0.00 H new ATOM 0 HB1 ALA A 32 14.705 -6.440 1.714 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.549 -6.445 0.147 1.00 0.00 H new ATOM 0 HB3 ALA A 32 14.734 -4.968 0.713 1.00 0.00 H new ATOM 465 N ARG A 33 11.698 -4.843 0.469 1.00 0.00 N ATOM 466 CA ARG A 33 10.539 -4.282 1.151 1.00 0.00 C ATOM 467 C ARG A 33 9.327 -5.198 1.007 1.00 0.00 C ATOM 468 O ARG A 33 8.382 -5.122 1.791 1.00 0.00 O ATOM 469 CB ARG A 33 10.213 -2.895 0.593 1.00 0.00 C ATOM 470 CG ARG A 33 11.197 -1.819 1.022 1.00 0.00 C ATOM 471 CD ARG A 33 10.737 -1.119 2.291 1.00 0.00 C ATOM 472 NE ARG A 33 11.814 -0.354 2.915 1.00 0.00 N ATOM 473 CZ ARG A 33 11.707 0.231 4.103 1.00 0.00 C ATOM 474 NH1 ARG A 33 10.578 0.139 4.792 1.00 0.00 N ATOM 475 NH2 ARG A 33 12.731 0.910 4.604 1.00 0.00 N ATOM 0 H ARG A 33 12.084 -4.249 -0.265 1.00 0.00 H new ATOM 0 HA ARG A 33 10.781 -4.192 2.210 1.00 0.00 H new ATOM 0 HB2 ARG A 33 10.195 -2.946 -0.496 1.00 0.00 H new ATOM 0 HB3 ARG A 33 9.212 -2.609 0.915 1.00 0.00 H new ATOM 0 HG2 ARG A 33 12.178 -2.266 1.186 1.00 0.00 H new ATOM 0 HG3 ARG A 33 11.310 -1.087 0.222 1.00 0.00 H new ATOM 0 HD2 ARG A 33 9.907 -0.452 2.057 1.00 0.00 H new ATOM 0 HD3 ARG A 33 10.361 -1.859 2.998 1.00 0.00 H new ATOM 0 HE ARG A 33 12.696 -0.264 2.411 1.00 0.00 H new ATOM 0 HH11 ARG A 33 9.789 -0.382 4.410 1.00 0.00 H new ATOM 0 HH12 ARG A 33 10.499 0.589 5.704 1.00 0.00 H new ATOM 0 HH21 ARG A 33 13.601 0.983 4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 33 12.648 1.359 5.516 1.00 0.00 H new ATOM 489 N GLY A 34 9.362 -6.063 -0.002 1.00 0.00 N ATOM 490 CA GLY A 34 8.261 -6.980 -0.232 1.00 0.00 C ATOM 491 C GLY A 34 6.943 -6.262 -0.444 1.00 0.00 C ATOM 492 O GLY A 34 6.877 -5.036 -0.364 1.00 0.00 O ATOM 0 H GLY A 34 10.133 -6.145 -0.664 1.00 0.00 H new ATOM 0 HA2 GLY A 34 8.481 -7.595 -1.105 1.00 0.00 H new ATOM 0 HA3 GLY A 34 8.171 -7.655 0.619 1.00 0.00 H new ATOM 496 N GLU A 35 5.891 -7.028 -0.718 1.00 0.00 N ATOM 497 CA GLU A 35 4.569 -6.456 -0.945 1.00 0.00 C ATOM 498 C GLU A 35 3.899 -6.090 0.376 1.00 0.00 C ATOM 499 O GLU A 35 2.694 -5.843 0.428 1.00 0.00 O ATOM 500 CB GLU A 35 3.690 -7.439 -1.720 1.00 0.00 C ATOM 501 CG GLU A 35 2.266 -6.950 -1.928 1.00 0.00 C ATOM 502 CD GLU A 35 1.578 -7.634 -3.093 1.00 0.00 C ATOM 503 OE1 GLU A 35 2.267 -7.953 -4.084 1.00 0.00 O ATOM 504 OE2 GLU A 35 0.351 -7.851 -3.014 1.00 0.00 O ATOM 0 H GLU A 35 5.929 -8.045 -0.788 1.00 0.00 H new ATOM 0 HA GLU A 35 4.692 -5.547 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 35 4.145 -7.631 -2.692 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.665 -8.389 -1.186 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.690 -7.123 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 35 2.277 -5.874 -2.099 1.00 0.00 H new ATOM 511 N THR A 36 4.690 -6.058 1.445 1.00 0.00 N ATOM 512 CA THR A 36 4.176 -5.725 2.767 1.00 0.00 C ATOM 513 C THR A 36 4.752 -4.404 3.264 1.00 0.00 C ATOM 514 O THR A 36 4.077 -3.643 3.958 1.00 0.00 O ATOM 515 CB THR A 36 4.498 -6.830 3.790 1.00 0.00 C ATOM 516 OG1 THR A 36 5.874 -7.212 3.682 1.00 0.00 O ATOM 517 CG2 THR A 36 3.610 -8.046 3.570 1.00 0.00 C ATOM 0 H THR A 36 5.690 -6.259 1.420 1.00 0.00 H new ATOM 0 HA THR A 36 3.094 -5.633 2.671 1.00 0.00 H new ATOM 0 HB THR A 36 4.308 -6.437 4.789 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.071 -7.914 4.337 1.00 0.00 H new ATOM 0 HG21 THR A 36 3.855 -8.813 4.304 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.565 -7.758 3.682 1.00 0.00 H new ATOM 0 HG23 THR A 36 3.773 -8.439 2.566 1.00 0.00 H new ATOM 525 N ASP A 37 6.003 -4.137 2.905 1.00 0.00 N ATOM 526 CA ASP A 37 6.669 -2.906 3.314 1.00 0.00 C ATOM 527 C ASP A 37 6.985 -2.032 2.105 1.00 0.00 C ATOM 528 O ASP A 37 7.434 -0.894 2.248 1.00 0.00 O ATOM 529 CB ASP A 37 7.956 -3.227 4.077 1.00 0.00 C ATOM 530 CG ASP A 37 7.745 -3.264 5.578 1.00 0.00 C ATOM 531 OD1 ASP A 37 6.633 -3.631 6.011 1.00 0.00 O ATOM 532 OD2 ASP A 37 8.691 -2.925 6.319 1.00 0.00 O ATOM 0 H ASP A 37 6.576 -4.756 2.332 1.00 0.00 H new ATOM 0 HA ASP A 37 5.994 -2.357 3.970 1.00 0.00 H new ATOM 0 HB2 ASP A 37 8.342 -4.190 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 37 8.713 -2.480 3.838 1.00 0.00 H new ATOM 537 N CYS A 38 6.748 -2.570 0.913 1.00 0.00 N ATOM 538 CA CYS A 38 7.008 -1.841 -0.322 1.00 0.00 C ATOM 539 C CYS A 38 5.726 -1.218 -0.866 1.00 0.00 C ATOM 540 O CYS A 38 4.668 -1.848 -0.864 1.00 0.00 O ATOM 541 CB CYS A 38 7.620 -2.773 -1.370 1.00 0.00 C ATOM 542 SG CYS A 38 8.511 -1.908 -2.703 1.00 0.00 S ATOM 0 H CYS A 38 6.376 -3.510 0.777 1.00 0.00 H new ATOM 0 HA CYS A 38 7.714 -1.041 -0.100 1.00 0.00 H new ATOM 0 HB2 CYS A 38 8.307 -3.459 -0.874 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.827 -3.378 -1.810 1.00 0.00 H new ATOM 0 HG CYS A 38 9.491 -2.652 -3.124 1.00 0.00 H new ATOM 547 N ARG A 39 5.829 0.023 -1.331 1.00 0.00 N ATOM 548 CA ARG A 39 4.678 0.732 -1.878 1.00 0.00 C ATOM 549 C ARG A 39 4.321 0.202 -3.263 1.00 0.00 C ATOM 550 O ARG A 39 3.146 0.043 -3.595 1.00 0.00 O ATOM 551 CB ARG A 39 4.965 2.232 -1.952 1.00 0.00 C ATOM 552 CG ARG A 39 4.936 2.926 -0.600 1.00 0.00 C ATOM 553 CD ARG A 39 4.919 4.439 -0.751 1.00 0.00 C ATOM 554 NE ARG A 39 6.199 4.956 -1.228 1.00 0.00 N ATOM 555 CZ ARG A 39 7.225 5.228 -0.430 1.00 0.00 C ATOM 556 NH1 ARG A 39 7.123 5.034 0.877 1.00 0.00 N ATOM 557 NH2 ARG A 39 8.357 5.696 -0.940 1.00 0.00 N ATOM 0 H ARG A 39 6.697 0.558 -1.340 1.00 0.00 H new ATOM 0 HA ARG A 39 3.830 0.564 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 39 5.943 2.384 -2.408 1.00 0.00 H new ATOM 0 HB3 ARG A 39 4.232 2.702 -2.608 1.00 0.00 H new ATOM 0 HG2 ARG A 39 4.055 2.605 -0.044 1.00 0.00 H new ATOM 0 HG3 ARG A 39 5.807 2.627 -0.018 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.130 4.725 -1.447 1.00 0.00 H new ATOM 0 HD3 ARG A 39 4.678 4.896 0.209 1.00 0.00 H new ATOM 0 HE ARG A 39 6.311 5.117 -2.229 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.254 4.675 1.273 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.913 5.244 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 39 8.439 5.847 -1.945 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.145 5.905 -0.327 1.00 0.00 H new ATOM 571 N PHE A 40 5.342 -0.070 -4.069 1.00 0.00 N ATOM 572 CA PHE A 40 5.136 -0.580 -5.419 1.00 0.00 C ATOM 573 C PHE A 40 4.373 -1.901 -5.391 1.00 0.00 C ATOM 574 O PHE A 40 4.606 -2.747 -4.527 1.00 0.00 O ATOM 575 CB PHE A 40 6.480 -0.770 -6.126 1.00 0.00 C ATOM 576 CG PHE A 40 7.304 0.483 -6.193 1.00 0.00 C ATOM 577 CD1 PHE A 40 6.861 1.583 -6.909 1.00 0.00 C ATOM 578 CD2 PHE A 40 8.524 0.562 -5.539 1.00 0.00 C ATOM 579 CE1 PHE A 40 7.617 2.738 -6.972 1.00 0.00 C ATOM 580 CE2 PHE A 40 9.284 1.715 -5.598 1.00 0.00 C ATOM 581 CZ PHE A 40 8.831 2.804 -6.317 1.00 0.00 C ATOM 0 H PHE A 40 6.321 0.054 -3.810 1.00 0.00 H new ATOM 0 HA PHE A 40 4.543 0.150 -5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 40 7.048 -1.542 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 40 6.301 -1.132 -7.138 1.00 0.00 H new ATOM 0 HD1 PHE A 40 5.913 1.537 -7.424 1.00 0.00 H new ATOM 0 HD2 PHE A 40 8.885 -0.287 -4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 40 7.259 3.588 -7.533 1.00 0.00 H new ATOM 0 HE2 PHE A 40 10.232 1.764 -5.082 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.425 3.705 -6.367 1.00 0.00 H new ATOM 591 N ALA A 41 3.459 -2.070 -6.341 1.00 0.00 N ATOM 592 CA ALA A 41 2.662 -3.288 -6.426 1.00 0.00 C ATOM 593 C ALA A 41 3.482 -4.443 -6.991 1.00 0.00 C ATOM 594 O ALA A 41 4.053 -4.339 -8.077 1.00 0.00 O ATOM 595 CB ALA A 41 1.425 -3.050 -7.280 1.00 0.00 C ATOM 0 H ALA A 41 3.252 -1.379 -7.062 1.00 0.00 H new ATOM 0 HA ALA A 41 2.349 -3.559 -5.418 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.839 -3.967 -7.335 1.00 0.00 H new ATOM 0 HB2 ALA A 41 0.821 -2.260 -6.834 1.00 0.00 H new ATOM 0 HB3 ALA A 41 1.728 -2.752 -8.284 1.00 0.00 H new ATOM 601 N HIS A 42 3.538 -5.542 -6.246 1.00 0.00 N ATOM 602 CA HIS A 42 4.289 -6.717 -6.673 1.00 0.00 C ATOM 603 C HIS A 42 3.362 -7.762 -7.286 1.00 0.00 C ATOM 604 O HIS A 42 2.679 -8.509 -6.585 1.00 0.00 O ATOM 605 CB HIS A 42 5.046 -7.322 -5.490 1.00 0.00 C ATOM 606 CG HIS A 42 6.131 -6.438 -4.958 1.00 0.00 C ATOM 607 ND1 HIS A 42 7.071 -6.866 -4.043 1.00 0.00 N ATOM 608 CD2 HIS A 42 6.425 -5.142 -5.218 1.00 0.00 C ATOM 609 CE1 HIS A 42 7.894 -5.871 -3.762 1.00 0.00 C ATOM 610 NE2 HIS A 42 7.524 -4.814 -4.463 1.00 0.00 N ATOM 0 H HIS A 42 3.073 -5.644 -5.344 1.00 0.00 H new ATOM 0 HA HIS A 42 5.006 -6.403 -7.432 1.00 0.00 H new ATOM 0 HB2 HIS A 42 4.339 -7.538 -4.689 1.00 0.00 H new ATOM 0 HB3 HIS A 42 5.481 -8.273 -5.796 1.00 0.00 H new ATOM 0 HD2 HIS A 42 5.894 -4.488 -5.894 1.00 0.00 H new ATOM 0 HE1 HIS A 42 8.727 -5.914 -3.076 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.981 -3.902 -4.446 1.00 0.00 H new ATOM 618 N PRO A 43 3.336 -7.817 -8.626 1.00 0.00 N ATOM 619 CA PRO A 43 2.496 -8.766 -9.363 1.00 0.00 C ATOM 620 C PRO A 43 2.980 -10.204 -9.216 1.00 0.00 C ATOM 621 O PRO A 43 4.154 -10.500 -9.440 1.00 0.00 O ATOM 622 CB PRO A 43 2.629 -8.303 -10.816 1.00 0.00 C ATOM 623 CG PRO A 43 3.941 -7.601 -10.871 1.00 0.00 C ATOM 624 CD PRO A 43 4.124 -6.957 -9.525 1.00 0.00 C ATOM 0 HA PRO A 43 1.470 -8.773 -8.995 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.603 -9.148 -11.505 1.00 0.00 H new ATOM 0 HB3 PRO A 43 1.812 -7.638 -11.096 1.00 0.00 H new ATOM 0 HG2 PRO A 43 4.749 -8.301 -11.082 1.00 0.00 H new ATOM 0 HG3 PRO A 43 3.951 -6.854 -11.665 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.174 -6.926 -9.234 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.761 -5.929 -9.518 1.00 0.00 H new ATOM 696 N ILE A 49 0.620 -7.379 -16.133 1.00 0.00 N ATOM 697 CA ILE A 49 1.473 -6.196 -16.123 1.00 0.00 C ATOM 698 C ILE A 49 1.334 -5.407 -17.420 1.00 0.00 C ATOM 699 O ILE A 49 1.223 -5.985 -18.501 1.00 0.00 O ATOM 700 CB ILE A 49 2.952 -6.571 -15.919 1.00 0.00 C ATOM 701 CG1 ILE A 49 3.156 -7.201 -14.539 1.00 0.00 C ATOM 702 CG2 ILE A 49 3.837 -5.345 -16.084 1.00 0.00 C ATOM 703 CD1 ILE A 49 4.333 -8.149 -14.475 1.00 0.00 C ATOM 0 HA ILE A 49 1.145 -5.577 -15.288 1.00 0.00 H new ATOM 0 HB ILE A 49 3.234 -7.303 -16.676 1.00 0.00 H new ATOM 0 HG12 ILE A 49 3.298 -6.408 -13.804 1.00 0.00 H new ATOM 0 HG13 ILE A 49 2.251 -7.739 -14.257 1.00 0.00 H new ATOM 0 HG21 ILE A 49 4.880 -5.626 -15.937 1.00 0.00 H new ATOM 0 HG22 ILE A 49 3.709 -4.936 -17.086 1.00 0.00 H new ATOM 0 HG23 ILE A 49 3.557 -4.592 -15.347 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.417 -8.558 -13.468 1.00 0.00 H new ATOM 0 HD12 ILE A 49 4.184 -8.962 -15.185 1.00 0.00 H new ATOM 0 HD13 ILE A 49 5.247 -7.611 -14.726 1.00 0.00 H new ATOM 715 N ASP A 50 1.343 -4.084 -17.305 1.00 0.00 N ATOM 716 CA ASP A 50 1.222 -3.214 -18.469 1.00 0.00 C ATOM 717 C ASP A 50 2.585 -2.968 -19.108 1.00 0.00 C ATOM 718 O ASP A 50 3.447 -2.311 -18.524 1.00 0.00 O ATOM 719 CB ASP A 50 0.582 -1.882 -18.072 1.00 0.00 C ATOM 720 CG ASP A 50 -0.857 -2.041 -17.624 1.00 0.00 C ATOM 721 OD1 ASP A 50 -1.564 -2.897 -18.195 1.00 0.00 O ATOM 722 OD2 ASP A 50 -1.277 -1.309 -16.703 1.00 0.00 O ATOM 0 H ASP A 50 1.433 -3.590 -16.417 1.00 0.00 H new ATOM 0 HA ASP A 50 0.584 -3.711 -19.199 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.162 -1.429 -17.268 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.622 -1.197 -18.919 1.00 0.00 H new ATOM 727 N THR A 51 2.773 -3.500 -20.312 1.00 0.00 N ATOM 728 CA THR A 51 4.031 -3.341 -21.030 1.00 0.00 C ATOM 729 C THR A 51 4.192 -1.916 -21.547 1.00 0.00 C ATOM 730 O THR A 51 5.219 -1.569 -22.130 1.00 0.00 O ATOM 731 CB THR A 51 4.130 -4.320 -22.215 1.00 0.00 C ATOM 732 OG1 THR A 51 2.973 -4.196 -23.050 1.00 0.00 O ATOM 733 CG2 THR A 51 4.255 -5.754 -21.723 1.00 0.00 C ATOM 0 H THR A 51 2.069 -4.045 -20.810 1.00 0.00 H new ATOM 0 HA THR A 51 4.829 -3.560 -20.321 1.00 0.00 H new ATOM 0 HB THR A 51 5.022 -4.071 -22.790 1.00 0.00 H new ATOM 0 HG1 THR A 51 3.044 -4.820 -23.802 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.323 -6.427 -22.578 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.152 -5.852 -21.111 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.379 -6.012 -21.127 1.00 0.00 H new ATOM 741 N SER A 52 3.170 -1.094 -21.331 1.00 0.00 N ATOM 742 CA SER A 52 3.198 0.294 -21.779 1.00 0.00 C ATOM 743 C SER A 52 3.886 1.184 -20.748 1.00 0.00 C ATOM 744 O SER A 52 4.753 1.989 -21.088 1.00 0.00 O ATOM 745 CB SER A 52 1.776 0.797 -22.035 1.00 0.00 C ATOM 746 OG SER A 52 1.108 -0.020 -22.981 1.00 0.00 O ATOM 0 H SER A 52 2.313 -1.365 -20.849 1.00 0.00 H new ATOM 0 HA SER A 52 3.765 0.339 -22.709 1.00 0.00 H new ATOM 0 HB2 SER A 52 1.217 0.807 -21.099 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.810 1.825 -22.397 1.00 0.00 H new ATOM 0 HG SER A 52 0.201 0.322 -23.126 1.00 0.00 H new ATOM 752 N ASP A 53 3.494 1.032 -19.488 1.00 0.00 N ATOM 753 CA ASP A 53 4.073 1.821 -18.407 1.00 0.00 C ATOM 754 C ASP A 53 4.428 0.934 -17.218 1.00 0.00 C ATOM 755 O ASP A 53 4.432 1.385 -16.073 1.00 0.00 O ATOM 756 CB ASP A 53 3.101 2.917 -17.969 1.00 0.00 C ATOM 757 CG ASP A 53 2.437 3.606 -19.145 1.00 0.00 C ATOM 758 OD1 ASP A 53 3.063 3.674 -20.223 1.00 0.00 O ATOM 759 OD2 ASP A 53 1.291 4.078 -18.987 1.00 0.00 O ATOM 0 H ASP A 53 2.778 0.370 -19.190 1.00 0.00 H new ATOM 0 HA ASP A 53 4.987 2.285 -18.778 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.335 2.484 -17.326 1.00 0.00 H new ATOM 0 HB3 ASP A 53 3.636 3.656 -17.373 1.00 0.00 H new ATOM 764 N ASN A 54 4.726 -0.331 -17.498 1.00 0.00 N ATOM 765 CA ASN A 54 5.081 -1.282 -16.450 1.00 0.00 C ATOM 766 C ASN A 54 4.247 -1.045 -15.195 1.00 0.00 C ATOM 767 O ASN A 54 4.735 -1.197 -14.074 1.00 0.00 O ATOM 768 CB ASN A 54 6.570 -1.172 -16.116 1.00 0.00 C ATOM 769 CG ASN A 54 6.844 -0.149 -15.030 1.00 0.00 C ATOM 770 OD1 ASN A 54 6.663 1.051 -15.233 1.00 0.00 O ATOM 771 ND2 ASN A 54 7.284 -0.622 -13.870 1.00 0.00 N ATOM 0 H ASN A 54 4.729 -0.721 -18.441 1.00 0.00 H new ATOM 0 HA ASN A 54 4.872 -2.286 -16.819 1.00 0.00 H new ATOM 0 HB2 ASN A 54 6.941 -2.146 -15.796 1.00 0.00 H new ATOM 0 HB3 ASN A 54 7.122 -0.900 -17.015 1.00 0.00 H new ATOM 0 HD21 ASN A 54 7.487 0.018 -13.102 1.00 0.00 H new ATOM 0 HD22 ASN A 54 7.419 -1.625 -13.747 1.00 0.00 H new ATOM 778 N THR A 55 2.986 -0.673 -15.390 1.00 0.00 N ATOM 779 CA THR A 55 2.084 -0.415 -14.275 1.00 0.00 C ATOM 780 C THR A 55 0.928 -1.408 -14.261 1.00 0.00 C ATOM 781 O THR A 55 0.759 -2.193 -15.194 1.00 0.00 O ATOM 782 CB THR A 55 1.517 1.016 -14.331 1.00 0.00 C ATOM 783 OG1 THR A 55 1.099 1.325 -15.665 1.00 0.00 O ATOM 784 CG2 THR A 55 2.555 2.029 -13.872 1.00 0.00 C ATOM 0 H THR A 55 2.566 -0.544 -16.311 1.00 0.00 H new ATOM 0 HA THR A 55 2.669 -0.531 -13.362 1.00 0.00 H new ATOM 0 HB THR A 55 0.660 1.070 -13.660 1.00 0.00 H new ATOM 0 HG1 THR A 55 0.738 2.236 -15.692 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.131 3.032 -13.921 1.00 0.00 H new ATOM 0 HG22 THR A 55 2.849 1.809 -12.846 1.00 0.00 H new ATOM 0 HG23 THR A 55 3.429 1.973 -14.520 1.00 0.00 H new ATOM 792 N VAL A 56 0.132 -1.368 -13.197 1.00 0.00 N ATOM 793 CA VAL A 56 -1.011 -2.264 -13.063 1.00 0.00 C ATOM 794 C VAL A 56 -2.263 -1.499 -12.649 1.00 0.00 C ATOM 795 O VAL A 56 -2.180 -0.408 -12.084 1.00 0.00 O ATOM 796 CB VAL A 56 -0.736 -3.374 -12.031 1.00 0.00 C ATOM 797 CG1 VAL A 56 0.389 -4.279 -12.507 1.00 0.00 C ATOM 798 CG2 VAL A 56 -0.406 -2.769 -10.674 1.00 0.00 C ATOM 0 H VAL A 56 0.258 -0.725 -12.415 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.173 -2.719 -14.040 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.637 -3.979 -11.925 1.00 0.00 H new ATOM 0 HG11 VAL A 56 0.569 -5.057 -11.765 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.109 -4.739 -13.455 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.296 -3.691 -12.643 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.214 -3.567 -9.957 1.00 0.00 H new ATOM 0 HG22 VAL A 56 0.480 -2.140 -10.762 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -1.247 -2.166 -10.330 1.00 0.00 H new ATOM 808 N THR A 57 -3.425 -2.078 -12.935 1.00 0.00 N ATOM 809 CA THR A 57 -4.696 -1.452 -12.593 1.00 0.00 C ATOM 810 C THR A 57 -5.108 -1.788 -11.165 1.00 0.00 C ATOM 811 O THR A 57 -4.675 -2.794 -10.603 1.00 0.00 O ATOM 812 CB THR A 57 -5.815 -1.891 -13.556 1.00 0.00 C ATOM 813 OG1 THR A 57 -5.321 -1.923 -14.900 1.00 0.00 O ATOM 814 CG2 THR A 57 -7.004 -0.946 -13.470 1.00 0.00 C ATOM 0 H THR A 57 -3.512 -2.980 -13.403 1.00 0.00 H new ATOM 0 HA THR A 57 -4.552 -0.375 -12.682 1.00 0.00 H new ATOM 0 HB THR A 57 -6.142 -2.889 -13.266 1.00 0.00 H new ATOM 0 HG1 THR A 57 -6.038 -2.205 -15.506 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.782 -1.276 -14.159 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.396 -0.946 -12.453 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.687 0.062 -13.736 1.00 0.00 H new ATOM 822 N VAL A 58 -5.950 -0.940 -10.582 1.00 0.00 N ATOM 823 CA VAL A 58 -6.423 -1.148 -9.219 1.00 0.00 C ATOM 824 C VAL A 58 -7.945 -1.198 -9.167 1.00 0.00 C ATOM 825 O VAL A 58 -8.625 -0.341 -9.732 1.00 0.00 O ATOM 826 CB VAL A 58 -5.923 -0.038 -8.275 1.00 0.00 C ATOM 827 CG1 VAL A 58 -6.499 -0.224 -6.880 1.00 0.00 C ATOM 828 CG2 VAL A 58 -4.403 -0.017 -8.235 1.00 0.00 C ATOM 0 H VAL A 58 -6.318 -0.102 -11.033 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.020 -2.105 -8.887 1.00 0.00 H new ATOM 0 HB VAL A 58 -6.266 0.923 -8.658 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.135 0.569 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.587 -0.184 -6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -6.188 -1.191 -6.484 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.068 0.773 -7.563 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.035 -0.978 -7.877 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.015 0.169 -9.237 1.00 0.00 H new ATOM 838 N CYS A 59 -8.476 -2.206 -8.484 1.00 0.00 N ATOM 839 CA CYS A 59 -9.920 -2.369 -8.357 1.00 0.00 C ATOM 840 C CYS A 59 -10.535 -1.196 -7.599 1.00 0.00 C ATOM 841 O CYS A 59 -9.977 -0.723 -6.609 1.00 0.00 O ATOM 842 CB CYS A 59 -10.245 -3.681 -7.640 1.00 0.00 C ATOM 843 SG CYS A 59 -12.024 -4.065 -7.564 1.00 0.00 S ATOM 0 H CYS A 59 -7.928 -2.923 -8.009 1.00 0.00 H new ATOM 0 HA CYS A 59 -10.347 -2.395 -9.359 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -9.729 -4.497 -8.146 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -9.850 -3.636 -6.625 1.00 0.00 H new ATOM 0 HG CYS A 59 -12.267 -5.135 -8.261 1.00 0.00 H new ATOM 848 N MET A 60 -11.687 -0.732 -8.072 1.00 0.00 N ATOM 849 CA MET A 60 -12.378 0.385 -7.438 1.00 0.00 C ATOM 850 C MET A 60 -13.236 -0.098 -6.273 1.00 0.00 C ATOM 851 O MET A 60 -13.221 0.492 -5.192 1.00 0.00 O ATOM 852 CB MET A 60 -13.250 1.118 -8.459 1.00 0.00 C ATOM 853 CG MET A 60 -13.664 2.512 -8.015 1.00 0.00 C ATOM 854 SD MET A 60 -12.501 3.783 -8.546 1.00 0.00 S ATOM 855 CE MET A 60 -11.489 3.952 -7.078 1.00 0.00 C ATOM 0 H MET A 60 -12.161 -1.112 -8.891 1.00 0.00 H new ATOM 0 HA MET A 60 -11.626 1.073 -7.052 1.00 0.00 H new ATOM 0 HB2 MET A 60 -12.707 1.192 -9.401 1.00 0.00 H new ATOM 0 HB3 MET A 60 -14.145 0.526 -8.652 1.00 0.00 H new ATOM 0 HG2 MET A 60 -14.652 2.738 -8.416 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.748 2.533 -6.928 1.00 0.00 H new ATOM 0 HE1 MET A 60 -11.494 4.992 -6.750 1.00 0.00 H new ATOM 0 HE2 MET A 60 -11.889 3.320 -6.285 1.00 0.00 H new ATOM 0 HE3 MET A 60 -10.467 3.648 -7.304 1.00 0.00 H new ATOM 865 N ASP A 61 -13.983 -1.173 -6.499 1.00 0.00 N ATOM 866 CA ASP A 61 -14.846 -1.735 -5.467 1.00 0.00 C ATOM 867 C ASP A 61 -14.027 -2.204 -4.269 1.00 0.00 C ATOM 868 O ASP A 61 -14.145 -1.659 -3.171 1.00 0.00 O ATOM 869 CB ASP A 61 -15.660 -2.901 -6.032 1.00 0.00 C ATOM 870 CG ASP A 61 -16.774 -2.438 -6.950 1.00 0.00 C ATOM 871 OD1 ASP A 61 -16.619 -1.370 -7.579 1.00 0.00 O ATOM 872 OD2 ASP A 61 -17.801 -3.142 -7.039 1.00 0.00 O ATOM 0 H ASP A 61 -14.008 -1.673 -7.388 1.00 0.00 H new ATOM 0 HA ASP A 61 -15.528 -0.953 -5.134 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -14.997 -3.572 -6.579 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -16.086 -3.475 -5.209 1.00 0.00 H new ATOM 877 N TYR A 62 -13.198 -3.219 -4.486 1.00 0.00 N ATOM 878 CA TYR A 62 -12.362 -3.764 -3.424 1.00 0.00 C ATOM 879 C TYR A 62 -11.906 -2.664 -2.470 1.00 0.00 C ATOM 880 O TYR A 62 -11.979 -2.815 -1.250 1.00 0.00 O ATOM 881 CB TYR A 62 -11.145 -4.476 -4.018 1.00 0.00 C ATOM 882 CG TYR A 62 -10.176 -4.989 -2.977 1.00 0.00 C ATOM 883 CD1 TYR A 62 -10.582 -5.902 -2.012 1.00 0.00 C ATOM 884 CD2 TYR A 62 -8.853 -4.563 -2.960 1.00 0.00 C ATOM 885 CE1 TYR A 62 -9.700 -6.373 -1.058 1.00 0.00 C ATOM 886 CE2 TYR A 62 -7.964 -5.030 -2.012 1.00 0.00 C ATOM 887 CZ TYR A 62 -8.392 -5.934 -1.063 1.00 0.00 C ATOM 888 OH TYR A 62 -7.510 -6.403 -0.116 1.00 0.00 O ATOM 0 H TYR A 62 -13.087 -3.681 -5.389 1.00 0.00 H new ATOM 0 HA TYR A 62 -12.957 -4.484 -2.862 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -11.486 -5.312 -4.628 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -10.621 -3.789 -4.683 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -11.604 -6.250 -2.007 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -8.514 -3.854 -3.701 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -10.033 -7.081 -0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -6.939 -4.689 -2.014 1.00 0.00 H new ATOM 0 HH TYR A 62 -6.630 -5.996 -0.259 1.00 0.00 H new ATOM 898 N ILE A 63 -11.437 -1.557 -3.036 1.00 0.00 N ATOM 899 CA ILE A 63 -10.971 -0.430 -2.237 1.00 0.00 C ATOM 900 C ILE A 63 -11.897 -0.176 -1.053 1.00 0.00 C ATOM 901 O ILE A 63 -11.459 -0.149 0.098 1.00 0.00 O ATOM 902 CB ILE A 63 -10.871 0.855 -3.081 1.00 0.00 C ATOM 903 CG1 ILE A 63 -9.574 0.859 -3.892 1.00 0.00 C ATOM 904 CG2 ILE A 63 -10.947 2.083 -2.187 1.00 0.00 C ATOM 905 CD1 ILE A 63 -8.330 0.713 -3.043 1.00 0.00 C ATOM 0 H ILE A 63 -11.370 -1.416 -4.044 1.00 0.00 H new ATOM 0 HA ILE A 63 -9.979 -0.692 -1.870 1.00 0.00 H new ATOM 0 HB ILE A 63 -11.711 0.883 -3.775 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.606 0.046 -4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -9.511 1.789 -4.457 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -10.875 2.983 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -11.896 2.084 -1.650 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -10.125 2.064 -1.471 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -7.449 0.724 -3.684 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -8.274 1.540 -2.335 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -8.370 -0.230 -2.498 1.00 0.00 H new ATOM 917 N LYS A 64 -13.181 0.009 -1.341 1.00 0.00 N ATOM 918 CA LYS A 64 -14.171 0.258 -0.300 1.00 0.00 C ATOM 919 C LYS A 64 -14.241 -0.912 0.676 1.00 0.00 C ATOM 920 O LYS A 64 -14.609 -0.743 1.837 1.00 0.00 O ATOM 921 CB LYS A 64 -15.548 0.498 -0.924 1.00 0.00 C ATOM 922 CG LYS A 64 -16.328 -0.779 -1.187 1.00 0.00 C ATOM 923 CD LYS A 64 -17.531 -0.524 -2.079 1.00 0.00 C ATOM 924 CE LYS A 64 -18.710 0.014 -1.284 1.00 0.00 C ATOM 925 NZ LYS A 64 -19.974 -0.028 -2.070 1.00 0.00 N ATOM 0 H LYS A 64 -13.560 -0.009 -2.288 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.867 1.149 0.249 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -16.130 1.140 -0.263 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -15.423 1.037 -1.863 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.675 -1.515 -1.657 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.660 -1.205 -0.240 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -17.262 0.188 -2.860 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -17.819 -1.450 -2.577 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -18.830 -0.570 -0.372 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.505 1.041 -0.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -20.547 0.812 -1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -19.751 -0.040 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -20.508 -0.885 -1.823 1.00 0.00 H new ATOM 939 N GLY A 65 -13.883 -2.100 0.196 1.00 0.00 N ATOM 940 CA GLY A 65 -13.911 -3.280 1.040 1.00 0.00 C ATOM 941 C GLY A 65 -14.813 -4.366 0.488 1.00 0.00 C ATOM 942 O GLY A 65 -14.658 -5.540 0.823 1.00 0.00 O ATOM 0 H GLY A 65 -13.574 -2.266 -0.762 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -12.899 -3.671 1.146 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -14.251 -3.002 2.037 1.00 0.00 H new ATOM 946 N ARG A 66 -15.760 -3.973 -0.358 1.00 0.00 N ATOM 947 CA ARG A 66 -16.692 -4.922 -0.955 1.00 0.00 C ATOM 948 C ARG A 66 -16.490 -5.007 -2.465 1.00 0.00 C ATOM 949 O ARG A 66 -16.893 -4.112 -3.208 1.00 0.00 O ATOM 950 CB ARG A 66 -18.134 -4.515 -0.645 1.00 0.00 C ATOM 951 CG ARG A 66 -18.456 -4.496 0.840 1.00 0.00 C ATOM 952 CD ARG A 66 -19.934 -4.238 1.087 1.00 0.00 C ATOM 953 NE ARG A 66 -20.330 -2.893 0.679 1.00 0.00 N ATOM 954 CZ ARG A 66 -21.475 -2.323 1.038 1.00 0.00 C ATOM 955 NH1 ARG A 66 -22.332 -2.978 1.810 1.00 0.00 N ATOM 956 NH2 ARG A 66 -21.764 -1.095 0.627 1.00 0.00 N ATOM 0 H ARG A 66 -15.902 -3.005 -0.645 1.00 0.00 H new ATOM 0 HA ARG A 66 -16.497 -5.904 -0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -18.320 -3.525 -1.061 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -18.813 -5.205 -1.146 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -18.172 -5.449 1.287 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -17.864 -3.724 1.332 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -20.526 -4.972 0.541 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -20.154 -4.375 2.146 1.00 0.00 H new ATOM 0 HE ARG A 66 -19.692 -2.362 0.086 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -22.113 -3.922 2.129 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -23.210 -2.538 2.084 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -21.107 -0.588 0.035 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -22.643 -0.658 0.903 1.00 0.00 H new ATOM 970 N CYS A 67 -15.862 -6.089 -2.912 1.00 0.00 N ATOM 971 CA CYS A 67 -15.604 -6.292 -4.333 1.00 0.00 C ATOM 972 C CYS A 67 -16.399 -7.481 -4.865 1.00 0.00 C ATOM 973 O CYS A 67 -16.042 -8.635 -4.628 1.00 0.00 O ATOM 974 CB CYS A 67 -14.110 -6.514 -4.575 1.00 0.00 C ATOM 975 SG CYS A 67 -13.719 -7.240 -6.199 1.00 0.00 S ATOM 0 H CYS A 67 -15.522 -6.839 -2.311 1.00 0.00 H new ATOM 0 HA CYS A 67 -15.922 -5.396 -4.866 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -13.592 -5.559 -4.482 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -13.719 -7.166 -3.794 1.00 0.00 H new ATOM 0 HG CYS A 67 -13.070 -6.372 -6.918 1.00 0.00 H new ATOM 980 N MET A 68 -17.477 -7.191 -5.586 1.00 0.00 N ATOM 981 CA MET A 68 -18.321 -8.236 -6.153 1.00 0.00 C ATOM 982 C MET A 68 -18.666 -7.926 -7.606 1.00 0.00 C ATOM 983 O MET A 68 -19.697 -8.366 -8.116 1.00 0.00 O ATOM 984 CB MET A 68 -19.604 -8.387 -5.333 1.00 0.00 C ATOM 985 CG MET A 68 -20.245 -9.759 -5.455 1.00 0.00 C ATOM 986 SD MET A 68 -19.369 -11.022 -4.513 1.00 0.00 S ATOM 987 CE MET A 68 -20.707 -12.149 -4.130 1.00 0.00 C ATOM 0 H MET A 68 -17.787 -6.241 -5.791 1.00 0.00 H new ATOM 0 HA MET A 68 -17.766 -9.174 -6.121 1.00 0.00 H new ATOM 0 HB2 MET A 68 -19.380 -8.192 -4.284 1.00 0.00 H new ATOM 0 HB3 MET A 68 -20.321 -7.630 -5.652 1.00 0.00 H new ATOM 0 HG2 MET A 68 -21.278 -9.705 -5.110 1.00 0.00 H new ATOM 0 HG3 MET A 68 -20.274 -10.050 -6.505 1.00 0.00 H new ATOM 0 HE1 MET A 68 -20.322 -12.986 -3.548 1.00 0.00 H new ATOM 0 HE2 MET A 68 -21.469 -11.626 -3.553 1.00 0.00 H new ATOM 0 HE3 MET A 68 -21.145 -12.522 -5.056 1.00 0.00 H new ATOM 997 N ARG A 69 -17.799 -7.167 -8.267 1.00 0.00 N ATOM 998 CA ARG A 69 -18.013 -6.798 -9.661 1.00 0.00 C ATOM 999 C ARG A 69 -18.103 -8.039 -10.545 1.00 0.00 C ATOM 1000 O ARG A 69 -17.633 -9.113 -10.171 1.00 0.00 O ATOM 1001 CB ARG A 69 -16.883 -5.891 -10.151 1.00 0.00 C ATOM 1002 CG ARG A 69 -17.076 -4.428 -9.789 1.00 0.00 C ATOM 1003 CD ARG A 69 -16.347 -3.513 -10.760 1.00 0.00 C ATOM 1004 NE ARG A 69 -14.919 -3.426 -10.464 1.00 0.00 N ATOM 1005 CZ ARG A 69 -14.014 -2.985 -11.330 1.00 0.00 C ATOM 1006 NH1 ARG A 69 -14.387 -2.592 -12.540 1.00 0.00 N ATOM 1007 NH2 ARG A 69 -12.734 -2.936 -10.986 1.00 0.00 N ATOM 0 H ARG A 69 -16.941 -6.795 -7.859 1.00 0.00 H new ATOM 0 HA ARG A 69 -18.957 -6.257 -9.726 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -15.940 -6.239 -9.729 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -16.800 -5.981 -11.234 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -18.139 -4.189 -9.791 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -16.711 -4.251 -8.777 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -16.485 -3.880 -11.777 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -16.787 -2.517 -10.719 1.00 0.00 H new ATOM 0 HE ARG A 69 -14.599 -3.720 -9.541 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -15.371 -2.628 -12.807 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.690 -2.254 -13.204 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.444 -3.237 -10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.040 -2.597 -11.652 1.00 0.00 H new ATOM 1021 N GLU A 70 -18.710 -7.883 -11.717 1.00 0.00 N ATOM 1022 CA GLU A 70 -18.862 -8.991 -12.652 1.00 0.00 C ATOM 1023 C GLU A 70 -17.502 -9.476 -13.147 1.00 0.00 C ATOM 1024 O GLU A 70 -16.879 -8.846 -14.002 1.00 0.00 O ATOM 1025 CB GLU A 70 -19.729 -8.570 -13.840 1.00 0.00 C ATOM 1026 CG GLU A 70 -20.097 -9.720 -14.763 1.00 0.00 C ATOM 1027 CD GLU A 70 -21.176 -10.612 -14.181 1.00 0.00 C ATOM 1028 OE1 GLU A 70 -20.858 -11.414 -13.277 1.00 0.00 O ATOM 1029 OE2 GLU A 70 -22.337 -10.510 -14.628 1.00 0.00 O ATOM 0 H GLU A 70 -19.104 -7.000 -12.041 1.00 0.00 H new ATOM 0 HA GLU A 70 -19.352 -9.811 -12.127 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -20.643 -8.108 -13.466 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -19.199 -7.810 -14.414 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -20.438 -9.320 -15.718 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -19.208 -10.317 -14.966 1.00 0.00 H new ATOM 1036 N LYS A 71 -17.048 -10.599 -12.603 1.00 0.00 N ATOM 1037 CA LYS A 71 -15.763 -11.171 -12.988 1.00 0.00 C ATOM 1038 C LYS A 71 -14.646 -10.141 -12.850 1.00 0.00 C ATOM 1039 O LYS A 71 -13.903 -9.885 -13.798 1.00 0.00 O ATOM 1040 CB LYS A 71 -15.821 -11.685 -14.428 1.00 0.00 C ATOM 1041 CG LYS A 71 -16.370 -13.096 -14.548 1.00 0.00 C ATOM 1042 CD LYS A 71 -17.877 -13.127 -14.352 1.00 0.00 C ATOM 1043 CE LYS A 71 -18.415 -14.549 -14.388 1.00 0.00 C ATOM 1044 NZ LYS A 71 -18.654 -15.016 -15.782 1.00 0.00 N ATOM 0 H LYS A 71 -17.551 -11.132 -11.893 1.00 0.00 H new ATOM 0 HA LYS A 71 -15.550 -12.005 -12.319 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -16.440 -11.012 -15.021 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -14.819 -11.656 -14.856 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -16.121 -13.502 -15.529 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -15.893 -13.737 -13.807 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -18.130 -12.665 -13.398 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -18.358 -12.535 -15.130 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.708 -15.218 -13.897 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -19.346 -14.600 -13.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -19.020 -15.989 -15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -19.348 -14.393 -16.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -17.761 -14.992 -16.314 1.00 0.00 H new ATOM 1058 N CYS A 72 -14.532 -9.555 -11.663 1.00 0.00 N ATOM 1059 CA CYS A 72 -13.505 -8.554 -11.400 1.00 0.00 C ATOM 1060 C CYS A 72 -12.145 -9.022 -11.910 1.00 0.00 C ATOM 1061 O CYS A 72 -11.641 -10.067 -11.498 1.00 0.00 O ATOM 1062 CB CYS A 72 -13.425 -8.257 -9.901 1.00 0.00 C ATOM 1063 SG CYS A 72 -12.017 -7.203 -9.426 1.00 0.00 S ATOM 0 H CYS A 72 -15.138 -9.756 -10.868 1.00 0.00 H new ATOM 0 HA CYS A 72 -13.778 -7.642 -11.931 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -14.350 -7.773 -9.588 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -13.359 -9.200 -9.358 1.00 0.00 H new ATOM 0 HG CYS A 72 -11.061 -7.944 -8.949 1.00 0.00 H new ATOM 1068 N LYS A 73 -11.556 -8.241 -12.810 1.00 0.00 N ATOM 1069 CA LYS A 73 -10.255 -8.573 -13.376 1.00 0.00 C ATOM 1070 C LYS A 73 -9.223 -7.502 -13.035 1.00 0.00 C ATOM 1071 O LYS A 73 -8.372 -7.161 -13.856 1.00 0.00 O ATOM 1072 CB LYS A 73 -10.361 -8.727 -14.895 1.00 0.00 C ATOM 1073 CG LYS A 73 -10.828 -7.467 -15.603 1.00 0.00 C ATOM 1074 CD LYS A 73 -10.770 -7.622 -17.114 1.00 0.00 C ATOM 1075 CE LYS A 73 -11.948 -8.431 -17.636 1.00 0.00 C ATOM 1076 NZ LYS A 73 -11.638 -9.886 -17.697 1.00 0.00 N ATOM 0 H LYS A 73 -11.960 -7.373 -13.163 1.00 0.00 H new ATOM 0 HA LYS A 73 -9.929 -9.518 -12.942 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -9.388 -9.017 -15.291 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -11.052 -9.539 -15.122 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.849 -7.235 -15.299 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -10.206 -6.626 -15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -10.767 -6.638 -17.582 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.838 -8.112 -17.395 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.813 -8.271 -16.992 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -12.221 -8.076 -18.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -11.596 -10.191 -18.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -10.721 -10.065 -17.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -12.381 -10.420 -17.203 1.00 0.00 H new ATOM 1090 N TYR A 74 -9.305 -6.977 -11.817 1.00 0.00 N ATOM 1091 CA TYR A 74 -8.379 -5.944 -11.368 1.00 0.00 C ATOM 1092 C TYR A 74 -7.520 -6.448 -10.212 1.00 0.00 C ATOM 1093 O TYR A 74 -7.880 -7.406 -9.528 1.00 0.00 O ATOM 1094 CB TYR A 74 -9.147 -4.692 -10.939 1.00 0.00 C ATOM 1095 CG TYR A 74 -9.839 -3.985 -12.082 1.00 0.00 C ATOM 1096 CD1 TYR A 74 -10.727 -4.663 -12.908 1.00 0.00 C ATOM 1097 CD2 TYR A 74 -9.604 -2.640 -12.337 1.00 0.00 C ATOM 1098 CE1 TYR A 74 -11.361 -4.022 -13.955 1.00 0.00 C ATOM 1099 CE2 TYR A 74 -10.235 -1.990 -13.380 1.00 0.00 C ATOM 1100 CZ TYR A 74 -11.112 -2.685 -14.186 1.00 0.00 C ATOM 1101 OH TYR A 74 -11.741 -2.042 -15.227 1.00 0.00 O ATOM 0 H TYR A 74 -10.002 -7.249 -11.124 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.724 -5.692 -12.202 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.890 -4.970 -10.192 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.456 -3.999 -10.459 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -10.925 -5.709 -12.729 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.916 -2.093 -11.709 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -12.047 -4.564 -14.589 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -10.043 -0.943 -13.563 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.457 -1.104 -15.252 1.00 0.00 H new ATOM 1111 N PHE A 75 -6.383 -5.794 -9.999 1.00 0.00 N ATOM 1112 CA PHE A 75 -5.471 -6.175 -8.927 1.00 0.00 C ATOM 1113 C PHE A 75 -5.954 -5.635 -7.584 1.00 0.00 C ATOM 1114 O PHE A 75 -6.504 -4.535 -7.506 1.00 0.00 O ATOM 1115 CB PHE A 75 -4.061 -5.658 -9.220 1.00 0.00 C ATOM 1116 CG PHE A 75 -3.123 -5.780 -8.053 1.00 0.00 C ATOM 1117 CD1 PHE A 75 -2.475 -6.976 -7.790 1.00 0.00 C ATOM 1118 CD2 PHE A 75 -2.890 -4.699 -7.218 1.00 0.00 C ATOM 1119 CE1 PHE A 75 -1.611 -7.092 -6.717 1.00 0.00 C ATOM 1120 CE2 PHE A 75 -2.027 -4.808 -6.144 1.00 0.00 C ATOM 1121 CZ PHE A 75 -1.388 -6.007 -5.893 1.00 0.00 C ATOM 0 H PHE A 75 -6.071 -4.998 -10.555 1.00 0.00 H new ATOM 0 HA PHE A 75 -5.448 -7.263 -8.874 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.649 -6.209 -10.066 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.121 -4.612 -9.520 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -2.647 -7.828 -8.431 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -3.389 -3.760 -7.409 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -1.111 -8.030 -6.524 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -1.852 -3.957 -5.502 1.00 0.00 H new ATOM 0 HZ PHE A 75 -0.715 -6.095 -5.053 1.00 0.00 H new ATOM 1131 N HIS A 76 -5.746 -6.415 -6.529 1.00 0.00 N ATOM 1132 CA HIS A 76 -6.160 -6.016 -5.189 1.00 0.00 C ATOM 1133 C HIS A 76 -4.948 -5.746 -4.303 1.00 0.00 C ATOM 1134 O HIS A 76 -4.289 -6.664 -3.814 1.00 0.00 O ATOM 1135 CB HIS A 76 -7.035 -7.100 -4.558 1.00 0.00 C ATOM 1136 CG HIS A 76 -8.414 -7.169 -5.139 1.00 0.00 C ATOM 1137 ND1 HIS A 76 -9.494 -7.686 -4.454 1.00 0.00 N ATOM 1138 CD2 HIS A 76 -8.887 -6.781 -6.346 1.00 0.00 C ATOM 1139 CE1 HIS A 76 -10.571 -7.615 -5.216 1.00 0.00 C ATOM 1140 NE2 HIS A 76 -10.230 -7.069 -6.370 1.00 0.00 N ATOM 0 H HIS A 76 -5.293 -7.328 -6.576 1.00 0.00 H new ATOM 0 HA HIS A 76 -6.738 -5.096 -5.274 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -6.548 -8.067 -4.683 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -7.110 -6.917 -3.486 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -8.315 -6.329 -7.143 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -11.562 -7.947 -4.942 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -10.861 -6.890 -7.151 1.00 0.00 H new ATOM 1148 N PRO A 77 -4.644 -4.456 -4.092 1.00 0.00 N ATOM 1149 CA PRO A 77 -3.509 -4.036 -3.265 1.00 0.00 C ATOM 1150 C PRO A 77 -3.731 -4.328 -1.785 1.00 0.00 C ATOM 1151 O PRO A 77 -4.835 -4.656 -1.351 1.00 0.00 O ATOM 1152 CB PRO A 77 -3.435 -2.526 -3.507 1.00 0.00 C ATOM 1153 CG PRO A 77 -4.819 -2.136 -3.895 1.00 0.00 C ATOM 1154 CD PRO A 77 -5.386 -3.310 -4.643 1.00 0.00 C ATOM 0 HA PRO A 77 -2.595 -4.569 -3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.111 -1.997 -2.611 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -2.721 -2.286 -4.294 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -5.421 -1.906 -3.016 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.812 -1.242 -4.519 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -6.459 -3.410 -4.480 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -5.235 -3.213 -5.718 1.00 0.00 H new ATOM 1162 N PRO A 78 -2.658 -4.206 -0.989 1.00 0.00 N ATOM 1163 CA PRO A 78 -2.711 -4.451 0.455 1.00 0.00 C ATOM 1164 C PRO A 78 -3.504 -3.381 1.196 1.00 0.00 C ATOM 1165 O PRO A 78 -4.022 -2.445 0.587 1.00 0.00 O ATOM 1166 CB PRO A 78 -1.239 -4.414 0.875 1.00 0.00 C ATOM 1167 CG PRO A 78 -0.573 -3.565 -0.153 1.00 0.00 C ATOM 1168 CD PRO A 78 -1.310 -3.818 -1.439 1.00 0.00 C ATOM 0 HA PRO A 78 -3.212 -5.390 0.691 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -1.123 -3.992 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.809 -5.415 0.900 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -0.618 -2.511 0.122 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.481 -3.824 -0.250 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -1.337 -2.928 -2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -0.839 -4.608 -2.024 1.00 0.00 H new ATOM 1176 N ALA A 79 -3.594 -3.524 2.514 1.00 0.00 N ATOM 1177 CA ALA A 79 -4.322 -2.568 3.339 1.00 0.00 C ATOM 1178 C ALA A 79 -3.637 -1.205 3.334 1.00 0.00 C ATOM 1179 O ALA A 79 -4.206 -0.215 2.874 1.00 0.00 O ATOM 1180 CB ALA A 79 -4.453 -3.090 4.762 1.00 0.00 C ATOM 0 H ALA A 79 -3.171 -4.293 3.034 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.319 -2.446 2.916 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -4.999 -2.366 5.366 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.993 -4.037 4.754 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.461 -3.242 5.186 1.00 0.00 H new ATOM 1186 N HIS A 80 -2.412 -1.162 3.850 1.00 0.00 N ATOM 1187 CA HIS A 80 -1.649 0.079 3.905 1.00 0.00 C ATOM 1188 C HIS A 80 -1.854 0.900 2.635 1.00 0.00 C ATOM 1189 O HIS A 80 -2.164 2.091 2.696 1.00 0.00 O ATOM 1190 CB HIS A 80 -0.162 -0.219 4.099 1.00 0.00 C ATOM 1191 CG HIS A 80 0.414 -1.104 3.037 1.00 0.00 C ATOM 1192 ND1 HIS A 80 0.381 -2.481 3.106 1.00 0.00 N ATOM 1193 CD2 HIS A 80 1.040 -0.802 1.876 1.00 0.00 C ATOM 1194 CE1 HIS A 80 0.963 -2.987 2.033 1.00 0.00 C ATOM 1195 NE2 HIS A 80 1.371 -1.989 1.270 1.00 0.00 N ATOM 0 H HIS A 80 -1.927 -1.972 4.236 1.00 0.00 H new ATOM 0 HA HIS A 80 -2.009 0.660 4.754 1.00 0.00 H new ATOM 0 HB2 HIS A 80 0.390 0.721 4.116 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.018 -0.691 5.071 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.242 0.189 1.496 1.00 0.00 H new ATOM 0 HE1 HIS A 80 1.084 -4.038 1.817 1.00 0.00 H new ATOM 0 HE2 HIS A 80 1.853 -2.084 0.376 1.00 0.00 H new ATOM 1203 N LEU A 81 -1.679 0.256 1.486 1.00 0.00 N ATOM 1204 CA LEU A 81 -1.844 0.927 0.201 1.00 0.00 C ATOM 1205 C LEU A 81 -3.298 1.332 -0.019 1.00 0.00 C ATOM 1206 O LEU A 81 -3.595 2.499 -0.270 1.00 0.00 O ATOM 1207 CB LEU A 81 -1.379 0.014 -0.935 1.00 0.00 C ATOM 1208 CG LEU A 81 0.116 0.051 -1.257 1.00 0.00 C ATOM 1209 CD1 LEU A 81 0.453 -0.958 -2.343 1.00 0.00 C ATOM 1210 CD2 LEU A 81 0.537 1.451 -1.677 1.00 0.00 C ATOM 0 H LEU A 81 -1.423 -0.729 1.418 1.00 0.00 H new ATOM 0 HA LEU A 81 -1.233 1.829 0.208 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.651 -1.011 -0.685 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -1.931 0.279 -1.837 1.00 0.00 H new ATOM 0 HG LEU A 81 0.669 -0.217 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 81 1.521 -0.917 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 81 0.189 -1.960 -2.004 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -0.109 -0.721 -3.246 1.00 0.00 H new ATOM 0 HD21 LEU A 81 1.603 1.458 -1.902 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.023 1.749 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.333 2.151 -0.867 1.00 0.00 H new ATOM 1222 N GLN A 82 -4.199 0.359 0.078 1.00 0.00 N ATOM 1223 CA GLN A 82 -5.622 0.616 -0.109 1.00 0.00 C ATOM 1224 C GLN A 82 -6.000 1.996 0.419 1.00 0.00 C ATOM 1225 O GLN A 82 -6.797 2.708 -0.192 1.00 0.00 O ATOM 1226 CB GLN A 82 -6.452 -0.458 0.596 1.00 0.00 C ATOM 1227 CG GLN A 82 -6.789 -1.646 -0.291 1.00 0.00 C ATOM 1228 CD GLN A 82 -7.688 -2.653 0.399 1.00 0.00 C ATOM 1229 OE1 GLN A 82 -8.900 -2.455 0.497 1.00 0.00 O ATOM 1230 NE2 GLN A 82 -7.099 -3.741 0.881 1.00 0.00 N ATOM 0 H GLN A 82 -3.969 -0.613 0.285 1.00 0.00 H new ATOM 0 HA GLN A 82 -5.834 0.586 -1.178 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -5.906 -0.811 1.471 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -7.378 -0.011 0.958 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -7.277 -1.290 -1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -5.866 -2.139 -0.598 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -6.092 -3.864 0.777 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -7.654 -4.454 1.355 1.00 0.00 H new ATOM 1239 N ALA A 83 -5.424 2.367 1.558 1.00 0.00 N ATOM 1240 CA ALA A 83 -5.700 3.662 2.167 1.00 0.00 C ATOM 1241 C ALA A 83 -5.134 4.798 1.321 1.00 0.00 C ATOM 1242 O ALA A 83 -5.854 5.722 0.942 1.00 0.00 O ATOM 1243 CB ALA A 83 -5.128 3.715 3.576 1.00 0.00 C ATOM 0 H ALA A 83 -4.763 1.789 2.077 1.00 0.00 H new ATOM 0 HA ALA A 83 -6.781 3.788 2.221 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -5.341 4.688 4.019 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -5.583 2.932 4.183 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.049 3.563 3.537 1.00 0.00 H new ATOM 1249 N LYS A 84 -3.840 4.724 1.029 1.00 0.00 N ATOM 1250 CA LYS A 84 -3.176 5.745 0.228 1.00 0.00 C ATOM 1251 C LYS A 84 -4.100 6.260 -0.872 1.00 0.00 C ATOM 1252 O LYS A 84 -4.122 7.454 -1.168 1.00 0.00 O ATOM 1253 CB LYS A 84 -1.893 5.185 -0.390 1.00 0.00 C ATOM 1254 CG LYS A 84 -0.658 5.411 0.464 1.00 0.00 C ATOM 1255 CD LYS A 84 -0.534 4.361 1.556 1.00 0.00 C ATOM 1256 CE LYS A 84 0.318 4.859 2.713 1.00 0.00 C ATOM 1257 NZ LYS A 84 -0.331 5.987 3.436 1.00 0.00 N ATOM 0 H LYS A 84 -3.230 3.966 1.336 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.922 6.577 0.885 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -2.017 4.115 -0.558 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -1.739 5.645 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.231 5.388 -0.167 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -0.703 6.402 0.915 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -1.526 4.095 1.921 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -0.093 3.454 1.142 1.00 0.00 H new ATOM 0 HE2 LYS A 84 0.501 4.040 3.408 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.289 5.180 2.337 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.036 6.034 4.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -0.124 6.880 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -1.360 5.837 3.462 1.00 0.00 H new ATOM 1271 N ILE A 85 -4.861 5.351 -1.472 1.00 0.00 N ATOM 1272 CA ILE A 85 -5.788 5.714 -2.537 1.00 0.00 C ATOM 1273 C ILE A 85 -7.056 6.343 -1.970 1.00 0.00 C ATOM 1274 O ILE A 85 -7.521 7.375 -2.456 1.00 0.00 O ATOM 1275 CB ILE A 85 -6.173 4.490 -3.389 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -4.930 3.891 -4.051 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -7.202 4.879 -4.439 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -4.248 2.834 -3.210 1.00 0.00 C ATOM 0 H ILE A 85 -4.854 4.358 -1.239 1.00 0.00 H new ATOM 0 HA ILE A 85 -5.276 6.440 -3.169 1.00 0.00 H new ATOM 0 HB ILE A 85 -6.614 3.736 -2.737 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -5.213 3.455 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -4.220 4.690 -4.262 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -7.464 4.004 -5.033 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.095 5.265 -3.948 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.785 5.648 -5.090 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -3.375 2.454 -3.741 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -3.934 3.270 -2.262 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -4.943 2.016 -3.021 1.00 0.00 H new ATOM 1290 N LYS A 86 -7.611 5.717 -0.938 1.00 0.00 N ATOM 1291 CA LYS A 86 -8.824 6.217 -0.302 1.00 0.00 C ATOM 1292 C LYS A 86 -8.703 7.706 0.006 1.00 0.00 C ATOM 1293 O LYS A 86 -9.574 8.496 -0.356 1.00 0.00 O ATOM 1294 CB LYS A 86 -9.106 5.440 0.986 1.00 0.00 C ATOM 1295 CG LYS A 86 -9.784 4.102 0.754 1.00 0.00 C ATOM 1296 CD LYS A 86 -10.573 3.657 1.974 1.00 0.00 C ATOM 1297 CE LYS A 86 -10.646 2.140 2.068 1.00 0.00 C ATOM 1298 NZ LYS A 86 -9.440 1.567 2.728 1.00 0.00 N ATOM 0 H LYS A 86 -7.240 4.862 -0.524 1.00 0.00 H new ATOM 0 HA LYS A 86 -9.653 6.074 -0.995 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -8.167 5.275 1.514 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -9.734 6.048 1.637 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -10.451 4.175 -0.105 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -9.033 3.350 0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -10.108 4.056 2.875 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -11.581 4.069 1.927 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -11.537 1.853 2.627 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.748 1.719 1.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -9.528 0.532 2.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -8.592 1.819 2.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.357 1.949 3.692 1.00 0.00 H new ATOM 1312 N ALA A 87 -7.618 8.081 0.674 1.00 0.00 N ATOM 1313 CA ALA A 87 -7.382 9.476 1.027 1.00 0.00 C ATOM 1314 C ALA A 87 -7.630 10.393 -0.166 1.00 0.00 C ATOM 1315 O ALA A 87 -8.483 11.279 -0.113 1.00 0.00 O ATOM 1316 CB ALA A 87 -5.964 9.656 1.548 1.00 0.00 C ATOM 0 H ALA A 87 -6.888 7.439 0.982 1.00 0.00 H new ATOM 0 HA ALA A 87 -8.084 9.750 1.815 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.802 10.702 1.808 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.820 9.036 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.253 9.359 0.777 1.00 0.00 H new